A0A087Y8X8_POEFO Loading...

Intraflagellar transport protein 122 homolog

AlphaFold DB , UniProt , Accession A0A087Y8X8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,181 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M81.1Confident91Very high42 Ų4273 Ų7321%0.20734%0.342CS..  0128.70171.4-83.6-146.600106.4L246 I257 L290 N291 F292 M309M1-L246 HydrophobicContact CE-CB 3.87Å; M1-L246 HydrophobicContact CE-CD2 3.7Å; M1-L246 HydrophobicContact CE-CG 4.4Å; M1-L246 HydrophobicContact CG-CD2 4.16Å; M1-I257 HydrophobicContact CE-CG1 3.67Å; M1-L290 HydrophobicContact CE-CD1 4.15Å; M1-L290 HydrophobicContact CE-CD2 3.9Å; M1-N291 CarbonylContact C-O 3.52Å; M1-N291 WeakPolarHBondContact CA-O 2.97Å; M1-F292 HydrophobicContact CB-CD1 4.09Å; M1-F292 HydrophobicContact CB-CE1 4.28Å; M1-F292 HydrophobicContact CG-CD1 4.22Å; M1-F292 HydrophobicContact CG-CE1 3.98Å; M1-M309 HydrophobicContact CB-CE 3.65Å
2R84.3Confident90.5Very high176 Ų17687.5 Ų87.566%0.66439%0.391SS*.EExtended strand (participates in β ladder)trans-130.7117.9177.7-176.8177.9-178.7179.41.3108.1N291R2-N291 PolarHBondContact N-O 3.43Å; R2-N291 PolarHBondContact O-N 3.14Å
3P91Very high90.4Very high44 Ų4486.8 Ų86.829%0.28639%0.394SS..EExtended strand (participates in β ladder)trans-77142.2171.431.9-32.3000109.9I257 L290P3-I257 HydrophobicContact CB-CG2 4.12Å; P3-I257 WeakPolarHBondContact CB-O 3.36Å; P3-I257 VanDerWaalsContact CG-O 3.26Å; P3-I257 WeakPolarHBondContact CG-O 3.3Å; P3-L290 HydrophobicContact CB-CD2 3.85Å
4I93.2Very high90.4Very high55 Ų5589.6 Ų89.628%0.28240%0.399SS..EExtended strand (participates in β ladder)trans-127.3116.2173.9-59.3176.4000107K6 Y288 Q289 N291I4-K6 PolarHBondContact O-N 3Å; I4-Y288 CarbonylContact O-C 3.51Å; I4-Y288 WeakPolarHBondContact O-CA 3.37Å; I4-Q289 PolarHBondContact N-O 3.35Å; I4-Q289 PolarHBondContact O-N 2.62Å; I4-N291 VanDerWaalsContact CD1-ND2 3.31Å; I4-N291 WeakPolarHBondContact CD1-ND2 3.49Å
5E94.5Very high90.7Very high102 Ų10283.7 Ų83.748%0.47737%0.373SS..EExtended strand (participates in β ladder)trans-64.5129.3170.7-171.2179.9127.700109.2Y288E5-Y288 HydrophobicContact CB-CD1 4.07Å; E5-Y288 HydrophobicContact CB-CE1 3.88Å; E5-Y288 HydrophobicContact CG-CE1 4.18Å
6K94.4Very high90.9Very high95 Ų9581.9 Ų81.941%0.41336%0.363SS..EExtended strand (participates in β ladder)trans-103.5-46.7-177-73.7-72.3-176.6-1790112.3I4 Y275 C287 Q289I4-K6 PolarHBondContact O-N 3Å; K6-Y275 HydrophobicContact CD-CE1 4.36Å; K6-Y275 HydrophobicContact CG-CD1 4.45Å; K6-Y275 HydrophobicContact CG-CE1 3.88Å; K6-C287 PolarHBondContact N-O 3.46Å; K6-Q289 HydrophobicContact CD-CB 4.42Å; K6-Q289 VanDerWaalsContact CE-CB 3.49Å; K6-Q289 HydrophobicContact CG-CB 3.97Å
7W95.1Very high91.2Very high26 Ų2679.1 Ų79.110%0.09835%0.352CS..EExtended strand (participates in β ladder)trans-155.4159.8175.455.9-104.7000109.2E9 I27 A40 K41 V277 I285 C287W7-E9 HydrophobicContact CE3-CB 4.37Å; W7-E9 HydrophobicContact CZ3-CB 4.22Å; W7-I27 HydrophobicContact CH2-CD1 4.38Å; W7-I27 HydrophobicContact CZ2-CD1 4.16Å; W7-A40 PolarHBondContact NE1-O 3.41Å; W7-K41 VanDerWaalsContact CD1-O 3.23Å; W7-K41 PolarHBondContact NE1-O 3.44Å; W7-V277 HydrophobicContact CH2-CG1 4.3Å; W7-V277 HydrophobicContact CZ2-CG2 4.35Å; W7-I285 HydrophobicContact CH2-CG2 3.81Å; W7-I285 HydrophobicContact CZ3-CB 4.19Å; W7-I285 HydrophobicContact CZ3-CG2 3.62Å; W7-C287 HydrophobicContact CD2-CB 3.5Å; W7-C287 VanDerWaalsContact CD2-CB 3.5Å; W7-C287 HydrophobicContact CE3-CB 4.1Å; W7-C287 HydrophobicContact CG-CB 3.92Å; W7-C287 HydrophobicContact CH2-CB 4.07Å; W7-C287 HydrophobicContact CZ2-CB 3.49Å; W7-C287 VanDerWaalsContact CZ2-CB 3.49Å; W7-C287 HydrophobicContact CZ3-CB 4.35Å; W7-C287 PolarHBondContact O-N 3.33Å
8K93.8Very high91.4Very high95 Ų9574.8 Ų74.841%0.41333%0.333SS..EExtended strand (participates in β ladder)trans-139.6131.9178.2171.9-171.9172.7158.20107.9T284 I285 Y286K8-T284 HydrophobicContact CD-CG2 4.32Å; K8-T284 VanDerWaalsContact CE-CG2 3.46Å; K8-T284 HydrophobicContact CG-CG2 4.01Å; K8-I285 VanDerWaalsContact CA-O 3.3Å; K8-I285 WeakPolarHBondContact CA-O 3.49Å; K8-Y286 HydrophobicContact CB-CD1 4.18Å; K8-Y286 HydrophobicContact CB-CE1 4.29Å; K8-Y286 HydrophobicContact CD-CD1 4.28Å; K8-Y286 HydrophobicContact CD-CE1 3.56Å; K8-Y286 WeakPolarHBondContact CE-OH 3.11Å; K8-Y286 HydrophobicContact CG-CD1 4.06Å; K8-Y286 HydrophobicContact CG-CE1 3.79Å; K8-Y286 PolarHBondContact NZ-OH 3.17Å
9E92.7Very high91.6Very high74 Ų7471.4 Ų71.435%0.34632%0.32SS..EExtended strand (participates in β ladder)trans-129.1156.6176.8-167.555.6-148.200109.9W7 I285W7-E9 HydrophobicContact CE3-CB 4.37Å; W7-E9 HydrophobicContact CZ3-CB 4.22Å; E9-I285 HydrophobicContact CB-CB 4.46Å; E9-I285 HydrophobicContact CB-CD1 4.25Å; E9-I285 PolarHBondContact N-O 3.36Å; E9-I285 PolarHBondContact O-N 3.4Å
10T91.5Very high91.8Very high80 Ų8069 Ų6949%0.49131%0.309SS..EExtended strand (participates in β ladder)trans-133.5123.8179.2-53.80000110.6
11V89.8Confident91.9Very high14 Ų1467.7 Ų67.79%0.08530%0.303CS..  trans-104160.3175.1-63.50000110.6D13 V15 A31 L36 I45 G283 I285V11-D13 VanDerWaalsContact C-N 3.31Å; V11-D13 WeakPolarHBondContact CG2-O 3.45Å; V11-D13 PolarHBondContact O-N 3.13Å; V11-V15 HydrophobicContact CG2-CG2 3.69Å; V11-A31 HydrophobicContact CG2-CB 4.34Å; V11-L36 HydrophobicContact CB-CD1 4.13Å; V11-L36 HydrophobicContact CG1-CD1 3.57Å; V11-I45 HydrophobicContact CG1-CD1 3.94Å; V11-G283 WeakPolarHBondContact CG2-O 3.27Å; V11-G283 PolarHBondContact N-O 3.43Å; V11-I285 HydrophobicContact CG1-CD1 3.9Å; V11-I285 HydrophobicContact CG2-CD1 4.38Å
12R84.9Confident92.5Very high247 Ų24767.3 Ų67.393%0.93230%0.304SS*.SBendtrans-70-26.7-174.1-67.7-175-178.3-176.9-0114
13D88.8Confident92.8Very high79 Ų7963.4 Ų63.442%0.42230%0.296SS..SBendtrans-116.4162.8-171.9-65.1-56.8000111.3V11 V15 G283V11-D13 VanDerWaalsContact C-N 3.31Å; V11-D13 WeakPolarHBondContact CG2-O 3.45Å; V11-D13 PolarHBondContact O-N 3.13Å; D13-V15 PolarHBondContact O-N 3.33Å; D13-G283 WeakPolarHBondContact O-CA 3.46Å
14R91.3Very high92.9Very high126 Ų12661.3 Ų61.348%0.47528%0.283SS..  trans-61.5136.7177.1-47.4-165.7169.5154.40.5110.4Y16 A31 G32 Q281R14-Y16 HydrophobicContact CB-CE2 4.01Å; R14-A31 WeakPolarHBondContact O-CA 3.22Å; R14-G32 PolarHBondContact O-N 2.8Å; R14-Q281 WeakPolarHBondContact CB-O 3.36Å; R14-Q281 WeakPolarHBondContact CG-O 3.11Å
15V94.1Very high93Very high0 Ų060.8 Ų60.80%028%0.284CS..EExtended strand (participates in β ladder)trans-90.1113.8172.7-178.60000108.6V11 D13 L18 M29 A30 W265 T266 I285V11-V15 HydrophobicContact CG2-CG2 3.69Å; D13-V15 PolarHBondContact O-N 3.33Å; V15-L18 HydrophobicContact CG1-CD2 4.26Å; V15-L18 HydrophobicContact CG1-CG 4.18Å; V15-M29 HydrophobicContact CG1-CE 4.28Å; V15-A30 WeakPolarHBondContact CA-O 3.4Å; V15-W265 WeakPolarHBondContact O-CB 3.47Å; V15-T266 HydrophobicContact CG1-CG2 4.09Å; V15-I285 HydrophobicContact CG2-CG1 4.27Å
16Y94.3Very high92.9Very high56 Ų5658 Ų5822%0.2227%0.271CS..EExtended strand (participates in β ladder)trans-88.3-42.3-178.5-72.8-83.6000112.4R14 A30 T55 Y57R14-Y16 HydrophobicContact CB-CE2 4.01Å; Y16-A30 PolarHBondContact N-O 3.31Å; Y16-T55 HydrophobicContact CD2-CG2 3.84Å; Y16-T55 HydrophobicContact CE2-CG2 3.26Å; Y16-Y57 WeakPolarHBondContact CB-O 2.85Å; Y16-Y57 AromaticContact CD1-CD1 3.79Å; Y16-Y57 HydrophobicContact CD1-CD1 3.79Å; Y16-Y57 HydrophobicContact CD1-CE1 4.14Å; Y16-Y57 AromaticContact CE1-CD1 3.99Å; Y16-Y57 HydrophobicContact CE1-CD1 3.99Å; Y16-Y57 AromaticContact CE1-CE1 3.84Å; Y16-Y57 HydrophobicContact CE1-CE1 3.84Å; Y16-Y57 HydrophobicContact CG-CD1 4.13Å
17D95.3Very high93Very high33 Ų3353.5 Ų53.518%0.17625%0.251CS..EExtended strand (participates in β ladder)trans-151.6159.3-174.6-166.422.7000112.4M29 A30 Y57 C58 V59 T266D17-M29 WeakPolarHBondContact O-CA 3.35Å; D17-A30 HydrophobicContact CB-CB 4.28Å; D17-A30 PolarHBondContact O-N 3.1Å; D17-Y57 VanDerWaalsContact CB-O 3.31Å; D17-Y57 WeakPolarHBondContact CB-O 3.28Å; D17-C58 WeakPolarHBondContact OD2-CA 3.32Å; D17-V59 HydrophobicContact CB-CG2 4.22Å; D17-V59 PolarHBondContact OD2-N 2.92Å; D17-T266 PolarHBondContact OD1-OG1 3.47Å
18L95.6Very high93Very high2 Ų252.2 Ų52.21%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-139.8140.7-175-72169.7000110.9V15 I27 I28 M29 T266 Q268 V277V15-L18 HydrophobicContact CG1-CD2 4.26Å; V15-L18 HydrophobicContact CG1-CG 4.18Å; L18-I27 HydrophobicContact CD2-CG2 3.81Å; L18-I28 WeakPolarHBondContact CA-O 3.36Å; L18-M29 HydrophobicContact CD1-CE 4.38Å; L18-M29 HydrophobicContact CD2-CB 3.71Å; L18-M29 HydrophobicContact CD2-CE 3.12Å; L18-M29 HydrophobicContact CD2-CG 3.42Å; L18-M29 VanDerWaalsContact CD2-CG 3.42Å; L18-M29 HydrophobicContact CD2-SD 4.09Å; L18-M29 HydrophobicContact CG-CE 4.26Å; L18-T266 HydrophobicContact CB-CG2 4.18Å; L18-T266 HydrophobicContact CD1-CG2 3.61Å; L18-T266 HydrophobicContact CG-CG2 3.62Å; L18-Q268 HydrophobicContact CB-CG 3.93Å; L18-Q268 VanDerWaalsContact O-CG 3.23Å; L18-Q268 WeakPolarHBondContact O-CG 3.21Å; L18-Q268 PolarHBondContact O-NE2 3.14Å; L18-V277 HydrophobicContact CD1-CG1 4.22Å
19A95.5Very high93.1Very high11 Ų1147.8 Ų47.89%0.09123%0.227CC..EExtended strand (participates in β ladder)trans-141141.9167.700000111.2I27 I28 V59A19-I27 WeakPolarHBondContact O-CA 3.47Å; A19-I28 HydrophobicContact CB-CD1 4.08Å; A19-I28 HydrophobicContact CB-CG1 3.78Å; A19-I28 PolarHBondContact N-O 3.07Å; A19-I28 WeakPolarHBondContact O-CG1 3.38Å; A19-I28 PolarHBondContact O-N 3.13Å; A19-V59 HydrophobicContact CB-CG2 4.33Å
20F95.3Very high93.2Very high22 Ų2244.3 Ų44.310%0.09621%0.211CC..EExtended strand (participates in β ladder)trans-84.8144.1169.6-80.4-84.1000110.3I27 A40 Y61 Q268 K270 P271 V277F20-I27 HydrophobicContact CD1-CD1 4.39Å; F20-I27 HydrophobicContact CD1-CG1 3.79Å; F20-I27 HydrophobicContact CE1-CD1 3.56Å; F20-I27 HydrophobicContact CE1-CG1 3.44Å; F20-I27 VanDerWaalsContact CE1-CG1 3.44Å; F20-I27 HydrophobicContact CZ-CD1 3.76Å; F20-I27 HydrophobicContact CZ-CG1 4.05Å; F20-A40 HydrophobicContact CE1-CB 4.08Å; F20-Y61 WeakPolarHBondContact O-CB 3.37Å; F20-Q268 HydrophobicContact CD2-CB 3.9Å; F20-Q268 HydrophobicContact CE2-CB 3.8Å; F20-K270 HydrophobicContact CD1-CB 4.26Å; F20-K270 HydrophobicContact CD1-CG 4.24Å; F20-K270 HydrophobicContact CE1-CB 3.69Å; F20-K270 HydrophobicContact CE1-CD 4.32Å; F20-K270 HydrophobicContact CE1-CG 3.91Å; F20-K270 HydrophobicContact CE2-CB 4.06Å; F20-K270 HydrophobicContact CZ-CB 3.58Å; F20-K270 HydrophobicContact CZ-CG 4.33Å; F20-P271 HydrophobicContact CB-CG 4.15Å; F20-V277 HydrophobicContact CE2-CB 4.39Å; F20-V277 HydrophobicContact CE2-CG2 4.42Å; F20-V277 HydrophobicContact CZ-CB 4.08Å; F20-V277 HydrophobicContact CZ-CG2 3.67Å
21K94.6Very high93.3Very high43 Ų4340.6 Ų40.619%0.18719%0.189CC..  trans-59.1142.2155.5-171.4174.6174.5-145.10108.8D23 G24 Q26 Y61K21-D23 WeakPolarHBondContact CB-OD1 3.19Å; K21-D23 WeakPolarHBondContact CD-OD1 3.27Å; K21-D23 WeakPolarHBondContact CE-OD2 3.34Å; K21-D23 VanDerWaalsContact CG-OD1 3.28Å; K21-D23 WeakPolarHBondContact CG-OD1 3.48Å; K21-D23 IonicContact NZ-OD2 3.96Å; K21-D23 PolarHBondContact NZ-OD2 3.19Å; K21-D23 PolarHBondContact O-N 3.14Å; K21-G24 WeakPolarHBondContact O-CA 3.23Å; K21-G24 PolarHBondContact O-N 3.3Å; K21-Q26 HydrophobicContact CB-CB 4.15Å; K21-Q26 HydrophobicContact CD-CB 4.43Å; K21-Q26 PolarHBondContact N-O 3.05Å; K21-Y61 HydrophobicContact CB-CD2 4.08Å; K21-Y61 HydrophobicContact CB-CE1 4.5Å; K21-Y61 HydrophobicContact CB-CE2 3.71Å; K21-Y61 HydrophobicContact CG-CD1 4.48Å; K21-Y61 HydrophobicContact CG-CE1 3.95Å; K21-Y61 HydrophobicContact CG-CE2 3.97Å
22P92.3Very high93.3Very high33 Ų3340.4 Ų40.421%0.21419%0.19CC..THydrogen-bonded Turntrans-56.4-26.3-174.9-29.335.6000115.5G24 Y61 A62 R63P22-G24 VanDerWaalsContact C-N 3.3Å; P22-Y61 HydrophobicContact CG-CD1 4.36Å; P22-A62 WeakPolarHBondContact CG-O 3.17Å; P22-R63 WeakPolarHBondContact CB-O 3.28Å; P22-R63 WeakPolarHBondContact CG-O 3.49Å
23D92.1Very high93.6Very high94 Ų9433.8 Ų33.850%0.50317%0.169SC..THydrogen-bonded Turntrans-80.1-8175.163.810.8000113.8K21 S25K21-D23 WeakPolarHBondContact CB-OD1 3.19Å; K21-D23 WeakPolarHBondContact CD-OD1 3.27Å; K21-D23 WeakPolarHBondContact CE-OD2 3.34Å; K21-D23 VanDerWaalsContact CG-OD1 3.28Å; K21-D23 WeakPolarHBondContact CG-OD1 3.48Å; K21-D23 IonicContact NZ-OD2 3.96Å; K21-D23 PolarHBondContact NZ-OD2 3.19Å; K21-D23 PolarHBondContact O-N 3.14Å; D23-S25 VanDerWaalsContact C-N 3.25Å; D23-S25 PolarHBondContact O-N 3.44Å; D23-S25 VanDerWaalsContact OD1-CB 3.31Å; D23-S25 WeakPolarHBondContact OD1-CB 3.23Å; D23-S25 PolarHBondContact OD1-N 3.48Å; D23-S25 PolarHBondContact OD1-OG 2.86Å; D23-S25 PolarHBondContact OD2-OG 2.82Å; D23-S25 VanDerWaalsContact OD2-OG 3.07Å
24G93.1Very high93.8Very high1 Ų135.3 Ų35.31%0.0117%0.169CC..SBendtrans7015.3-17800000114.7K21 P22 A40 K270K21-G24 WeakPolarHBondContact O-CA 3.23Å; K21-G24 PolarHBondContact O-N 3.3Å; P22-G24 VanDerWaalsContact C-N 3.3Å; G24-A40 VanDerWaalsContact O-CB 3.25Å; G24-A40 WeakPolarHBondContact O-CB 3.41Å; G24-K270 WeakPolarHBondContact O-CE 3.46Å; G24-K270 PolarHBondContact O-NZ 2.86Å
25S93.4Very high94Very high43 Ų4329.4 Ų29.430%0.30115%0.147SC..SBendtrans-80.2-34.9179.2640000112.9D23 A40D23-S25 VanDerWaalsContact C-N 3.25Å; D23-S25 PolarHBondContact O-N 3.44Å; D23-S25 VanDerWaalsContact OD1-CB 3.31Å; D23-S25 WeakPolarHBondContact OD1-CB 3.23Å; D23-S25 PolarHBondContact OD1-N 3.48Å; D23-S25 PolarHBondContact OD1-OG 2.86Å; D23-S25 PolarHBondContact OD2-OG 2.82Å; D23-S25 VanDerWaalsContact OD2-OG 3.07Å; S25-A40 WeakPolarHBondContact O-CB 3.13Å; S25-A40 PolarHBondContact O-N 3.35Å
26Q94.4Very high94Very high43 Ų4330.2 Ų30.220%0.20115%0.151CC..EExtended strand (participates in β ladder)trans-128.7153.6-175-68.6176.3-12.300111.6K21 C38 I46K21-Q26 HydrophobicContact CB-CB 4.15Å; K21-Q26 HydrophobicContact CD-CB 4.43Å; K21-Q26 PolarHBondContact N-O 3.05Å; Q26-C38 CarbonylContact C-O 3.58Å; Q26-C38 WeakPolarHBondContact CA-O 3.37Å; Q26-I46 HydrophobicContact CG-CD1 4.23Å
27I95.3Very high94.1Very high1 Ų127.5 Ų27.51%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-120.1131.5173-49.8-178.3000107.5W7 L18 A19 F20 M29 V37 C38 A40 V277W7-I27 HydrophobicContact CH2-CD1 4.38Å; W7-I27 HydrophobicContact CZ2-CD1 4.16Å; L18-I27 HydrophobicContact CD2-CG2 3.81Å; A19-I27 WeakPolarHBondContact O-CA 3.47Å; F20-I27 HydrophobicContact CD1-CD1 4.39Å; F20-I27 HydrophobicContact CD1-CG1 3.79Å; F20-I27 HydrophobicContact CE1-CD1 3.56Å; F20-I27 HydrophobicContact CE1-CG1 3.44Å; F20-I27 VanDerWaalsContact CE1-CG1 3.44Å; F20-I27 HydrophobicContact CZ-CD1 3.76Å; F20-I27 HydrophobicContact CZ-CG1 4.05Å; I27-M29 HydrophobicContact CG2-CG 4.13Å; I27-V37 WeakPolarHBondContact O-CA 3.12Å; I27-C38 PolarHBondContact N-O 3.17Å; I27-C38 PolarHBondContact O-N 3.31Å; I27-A40 HydrophobicContact CD1-CB 4.14Å; I27-A40 HydrophobicContact CG1-CB 3.9Å; I27-V277 HydrophobicContact CD1-CB 4.38Å; I27-V277 HydrophobicContact CD1-CG1 4.14Å; I27-V277 HydrophobicContact CD1-CG2 3.87Å
28I95.6Very high94Very high0 Ų026.1 Ų26.10%013%0.133CC..EExtended strand (participates in β ladder)trans-104.5138.316860.7175.4000109.2L18 A19 V35 L36 V37 V59 Y61 F68L18-I28 WeakPolarHBondContact CA-O 3.36Å; A19-I28 HydrophobicContact CB-CD1 4.08Å; A19-I28 HydrophobicContact CB-CG1 3.78Å; A19-I28 PolarHBondContact N-O 3.07Å; A19-I28 WeakPolarHBondContact O-CG1 3.38Å; A19-I28 PolarHBondContact O-N 3.13Å; I28-V35 HydrophobicContact CB-CG1 4.35Å; I28-L36 CarbonylContact C-O 3.58Å; I28-L36 WeakPolarHBondContact CA-O 3.35Å; I28-V37 HydrophobicContact CG2-CG2 4.24Å; I28-V59 HydrophobicContact CD1-CB 3.86Å; I28-V59 HydrophobicContact CD1-CG1 4.45Å; I28-V59 HydrophobicContact CD1-CG2 4.42Å; I28-V59 HydrophobicContact CG1-CB 4.1Å; I28-V59 HydrophobicContact CG1-CG2 4.13Å; I28-Y61 HydrophobicContact CD1-CD2 3.8Å; I28-Y61 HydrophobicContact CD1-CE2 4.35Å; I28-Y61 HydrophobicContact CG1-CD2 4.25Å; I28-Y61 HydrophobicContact CG2-CE2 4.17Å; I28-F68 HydrophobicContact CD1-CB 3.72Å; I28-F68 HydrophobicContact CD1-CD2 3.44Å; I28-F68 VanDerWaalsContact CD1-CD2 3.44Å; I28-F68 HydrophobicContact CD1-CE2 4.19Å; I28-F68 HydrophobicContact CD1-CG 3.71Å; I28-F68 HydrophobicContact CG2-CD2 4.46Å; I28-F68 HydrophobicContact CG2-CE2 4.34Å; I28-F68 HydrophobicContact CG2-CZ 4.42Å
29M94.9Very high93.9Very high2 Ų228.1 Ų28.11%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-130.9132.8-173.2-36.6-175.381.600109.9V15 D17 L18 I27 V35 L36 C38 I285V15-M29 HydrophobicContact CG1-CE 4.28Å; D17-M29 WeakPolarHBondContact O-CA 3.35Å; L18-M29 HydrophobicContact CD1-CE 4.38Å; L18-M29 HydrophobicContact CD2-CB 3.71Å; L18-M29 HydrophobicContact CD2-CE 3.12Å; L18-M29 HydrophobicContact CD2-CG 3.42Å; L18-M29 VanDerWaalsContact CD2-CG 3.42Å; L18-M29 HydrophobicContact CD2-SD 4.09Å; L18-M29 HydrophobicContact CG-CE 4.26Å; I27-M29 HydrophobicContact CG2-CG 4.13Å; M29-V35 CarbonylContact O-C 3.54Å; M29-V35 WeakPolarHBondContact O-CA 3.34Å; M29-L36 HydrophobicContact CB-CB 4.34Å; M29-L36 PolarHBondContact N-O 3.29Å; M29-L36 PolarHBondContact O-N 2.94Å; M29-C38 VanDerWaalsContact SD-SG 3.66Å; M29-I285 HydrophobicContact CE-CB 4.08Å; M29-I285 HydrophobicContact CE-CD1 3.29Å; M29-I285 HydrophobicContact CE-CG1 3.46Å; M29-I285 VanDerWaalsContact CE-CG1 3.46Å; M29-I285 HydrophobicContact CE-CG2 3.48Å; M29-I285 VanDerWaalsContact CE-CG2 3.48Å; M29-I285 HydrophobicContact SD-CD1 3.52Å; M29-I285 VanDerWaalsContact SD-CD1 3.52Å; M29-I285 HydrophobicContact SD-CG1 4.36Å
30A95.4Very high93.8Very high0 Ų027.9 Ų27.90%014%0.142CC..EExtended strand (participates in β ladder)trans-86.6107.5169.700000109.2V15 Y16 D17 V56 V59V15-A30 WeakPolarHBondContact CA-O 3.4Å; Y16-A30 PolarHBondContact N-O 3.31Å; D17-A30 HydrophobicContact CB-CB 4.28Å; D17-A30 PolarHBondContact O-N 3.1Å; A30-V56 HydrophobicContact CB-CB 4.11Å; A30-V56 HydrophobicContact CB-CG1 3.77Å; A30-V59 HydrophobicContact CB-CG1 4.13Å; A30-V59 HydrophobicContact CB-CG2 4.4Å
31A92.8Very high93.6Very high3 Ų335 Ų353%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-133.4108.5-176.100000111.2V11 R14 Q33 R34 L36V11-A31 HydrophobicContact CG2-CB 4.34Å; R14-A31 WeakPolarHBondContact O-CA 3.22Å; A31-Q33 PolarHBondContact O-N 2.98Å; A31-R34 PolarHBondContact N-O 3.48Å; A31-R34 PolarHBondContact O-N 3.14Å; A31-R34 VanDerWaalsContact O-N 3.08Å; A31-R34 VanDerWaalsContact O-O 3.11Å; A31-L36 HydrophobicContact CB-CD1 3.8Å; A31-L36 HydrophobicContact CB-CG 4.18Å
32G90.3Very high93.4Very high10 Ų1037 Ų3710%0.10319%0.185CC..THydrogen-bonded Turntrans55.9-129.7-173.600000111.2R14 R34 T55 V56R14-G32 PolarHBondContact O-N 2.8Å; G32-R34 VanDerWaalsContact C-N 3.28Å; G32-R34 PolarHBondContact O-N 3.3Å; G32-T55 CarbonylContact O-C 3.36Å; G32-T55 WeakPolarHBondContact O-CA 3.16Å; G32-V56 PolarHBondContact O-N 3.32Å
33Q92Very high93.2Very high107 Ų10735.5 Ų35.550%0.518%0.176SC..THydrogen-bonded Turntrans-86.37.8179.2-59.4176.3-100113.9A31A31-Q33 PolarHBondContact O-N 2.98Å
34R92.3Very high93.3Very high112 Ų11234.3 Ų34.342%0.42317%0.172SC..EExtended strand (participates in β ladder)trans-122.2152.1-171.4-60.4179.1-171.1167.55.1111.1A31 G32 L36A31-R34 PolarHBondContact N-O 3.48Å; A31-R34 PolarHBondContact O-N 3.14Å; A31-R34 VanDerWaalsContact O-N 3.08Å; A31-R34 VanDerWaalsContact O-O 3.11Å; G32-R34 VanDerWaalsContact C-N 3.28Å; G32-R34 PolarHBondContact O-N 3.3Å; R34-L36 HydrophobicContact CB-CD2 4.28Å
35V95.5Very high93.2Very high2 Ų237.8 Ų37.81%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-100.5121162.4-177.30000107.3I28 M29 L49 V56 V59 F68I28-V35 HydrophobicContact CB-CG1 4.35Å; M29-V35 CarbonylContact O-C 3.54Å; M29-V35 WeakPolarHBondContact O-CA 3.34Å; V35-L49 HydrophobicContact CB-CB 4.23Å; V35-L49 HydrophobicContact CB-CD1 4.43Å; V35-L49 HydrophobicContact CG1-CD1 4.43Å; V35-L49 PolarHBondContact N-O 3.46Å; V35-L49 WeakPolarHBondContact O-CB 3.36Å; V35-L49 PolarHBondContact O-N 2.83Å; V35-V56 HydrophobicContact CG2-CG1 4.14Å; V35-V56 HydrophobicContact CG2-CG2 4.43Å; V35-V59 HydrophobicContact CG1-CG1 4.15Å; V35-V59 HydrophobicContact CG2-CG1 4.3Å; V35-F68 HydrophobicContact CG1-CE2 4.09Å
36L95.1Very high93.2Very high16 Ų1639.8 Ų39.88%0.08420%0.196CC..EExtended strand (participates in β ladder)trans-98.6134.1177.4-56.6179.5000109.3V11 I28 M29 A31 R34 P48V11-L36 HydrophobicContact CB-CD1 4.13Å; V11-L36 HydrophobicContact CG1-CD1 3.57Å; I28-L36 CarbonylContact C-O 3.58Å; I28-L36 WeakPolarHBondContact CA-O 3.35Å; M29-L36 HydrophobicContact CB-CB 4.34Å; M29-L36 PolarHBondContact N-O 3.29Å; M29-L36 PolarHBondContact O-N 2.94Å; A31-L36 HydrophobicContact CB-CD1 3.8Å; A31-L36 HydrophobicContact CB-CG 4.18Å; R34-L36 HydrophobicContact CB-CD2 4.28Å; L36-P48 HydrophobicContact CD2-CB 3.67Å
37V95Very high93Very high0 Ų041.7 Ų41.70%021%0.205CC..EExtended strand (participates in β ladder)trans-107124.5173.6-172.50000108.1I27 I28 I46 Q47 L49 L84I27-V37 WeakPolarHBondContact O-CA 3.12Å; I28-V37 HydrophobicContact CG2-CG2 4.24Å; V37-I46 HydrophobicContact CG1-CD1 4.42Å; V37-I46 WeakPolarHBondContact O-CB 3.28Å; V37-I46 PolarHBondContact O-N 3.12Å; V37-Q47 PolarHBondContact N-O 3.31Å; V37-Q47 PolarHBondContact O-N 3.36Å; V37-L49 HydrophobicContact CG2-CD1 3.85Å; V37-L49 HydrophobicContact CG2-CG 4.12Å; V37-L84 HydrophobicContact CB-CD1 4.25Å; V37-L84 HydrophobicContact CG1-CD1 4.19Å; V37-L84 HydrophobicContact CG1-CD2 4.3Å; V37-L84 HydrophobicContact CG2-CD1 3.99Å; V37-L84 HydrophobicContact CG2-CD2 3.89Å
38C94Very high92.9Very high3 Ų344.6 Ų44.62%0.0222%0.224CC..EExtended strand (participates in β ladder)trans-127149.4-176-53.20000111.4Q26 I27 M29 T44Q26-C38 CarbonylContact C-O 3.58Å; Q26-C38 WeakPolarHBondContact CA-O 3.37Å; I27-C38 PolarHBondContact N-O 3.17Å; I27-C38 PolarHBondContact O-N 3.31Å; M29-C38 VanDerWaalsContact SD-SG 3.66Å; C38-T44 CarbonylContact C-O 3.57Å; C38-T44 WeakPolarHBondContact CA-O 3.02Å
39D93.4Very high92.8Very high45 Ų4544.9 Ų44.924%0.24123%0.225CC..EExtended strand (participates in β ladder)trans-72.7132169.2-167.7-57.8000109.8K41 G43 T44 I46D39-K41 VanDerWaalsContact C-N 3.29Å; D39-K41 PolarHBondContact O-N 2.89Å; D39-K41 VanDerWaalsContact OD1-CB 3.22Å; D39-K41 WeakPolarHBondContact OD1-CB 3.08Å; D39-K41 WeakPolarHBondContact OD1-CG 3.47Å; D39-K41 PolarHBondContact OD1-N 2.91Å; D39-G43 VanDerWaalsContact O-CA 3.23Å; D39-G43 WeakPolarHBondContact O-CA 3.43Å; D39-G43 PolarHBondContact O-N 3.36Å; D39-T44 PolarHBondContact N-O 2.85Å; D39-I46 HydrophobicContact CB-CD1 4.21Å; D39-I46 HydrophobicContact CB-CG1 4.46Å
40A92.5Very high92.5Very high5 Ų552.5 Ų52.54%0.04126%0.259CS..THydrogen-bonded Turntrans-72.9-19.1-177.600000114W7 F20 G24 S25 I27W7-A40 PolarHBondContact NE1-O 3.41Å; F20-A40 HydrophobicContact CE1-CB 4.08Å; G24-A40 VanDerWaalsContact O-CB 3.25Å; G24-A40 WeakPolarHBondContact O-CB 3.41Å; S25-A40 WeakPolarHBondContact O-CB 3.13Å; S25-A40 PolarHBondContact O-N 3.35Å; I27-A40 HydrophobicContact CD1-CB 4.14Å; I27-A40 HydrophobicContact CG1-CB 3.9Å
41K90.8Very high92.1Very high173 Ų17354.2 Ų54.275%0.75228%0.277SS*.THydrogen-bonded Turntrans-75-45.9-175.4-67177.3179.2173.80112.1W7 D39W7-K41 VanDerWaalsContact CD1-O 3.23Å; W7-K41 PolarHBondContact NE1-O 3.44Å; D39-K41 VanDerWaalsContact C-N 3.29Å; D39-K41 PolarHBondContact O-N 2.89Å; D39-K41 VanDerWaalsContact OD1-CB 3.22Å; D39-K41 WeakPolarHBondContact OD1-CB 3.08Å; D39-K41 WeakPolarHBondContact OD1-CG 3.47Å; D39-K41 PolarHBondContact OD1-N 2.91Å
42D90.9Very high92.1Very high83 Ų8354.9 Ų54.944%0.44428%0.279SS..THydrogen-bonded Turntrans-125-6.3-173.560.311000113.9T44D42-T44 VanDerWaalsContact C-N 3.3Å; D42-T44 HydrophobicContact CB-CG2 4.45Å; D42-T44 VanDerWaalsContact CG-CG2 3.47Å; D42-T44 WeakPolarHBondContact OD1-CB 3.41Å; D42-T44 VanDerWaalsContact OD1-CG2 3.31Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.41Å; D42-T44 PolarHBondContact OD1-N 3.49Å; D42-T44 PolarHBondContact OD1-OG1 2.8Å
43G89.3Confident92.3Very high2 Ų258.3 Ų58.32%0.02130%0.302CS..  trans81.86.6178.700000114D39 I45D39-G43 VanDerWaalsContact O-CA 3.23Å; D39-G43 WeakPolarHBondContact O-CA 3.43Å; D39-G43 PolarHBondContact O-N 3.36Å; G43-I45 PolarHBondContact O-N 3.37Å
44T92.2Very high92.4Very high70 Ų7056.5 Ų56.543%0.42930%0.296SS..  trans-63.9132.7-17852.80000111.7C38 D39 D42 I46C38-T44 CarbonylContact C-O 3.57Å; C38-T44 WeakPolarHBondContact CA-O 3.02Å; D39-T44 PolarHBondContact N-O 2.85Å; D42-T44 VanDerWaalsContact C-N 3.3Å; D42-T44 HydrophobicContact CB-CG2 4.45Å; D42-T44 VanDerWaalsContact CG-CG2 3.47Å; D42-T44 WeakPolarHBondContact OD1-CB 3.41Å; D42-T44 VanDerWaalsContact OD1-CG2 3.31Å; D42-T44 WeakPolarHBondContact OD1-CG2 3.41Å; D42-T44 PolarHBondContact OD1-N 3.49Å; D42-T44 PolarHBondContact OD1-OG1 2.8Å; T44-I46 PolarHBondContact O-N 3.15Å
45I92.3Very high92.6Very high74 Ų7452.5 Ų52.538%0.37928%0.284SS..EExtended strand (participates in β ladder)trans-75.9113.6178.2-56.8173.1000108.6V11 G43V11-I45 HydrophobicContact CG1-CD1 3.94Å; G43-I45 PolarHBondContact O-N 3.37Å
46I92.8Very high92.6Very high85 Ų8552.4 Ų52.444%0.43628%0.283SS..EExtended strand (participates in β ladder)trans-78.1-54.6179.4-57.2172.3000109.7Q26 V37 D39 T44Q26-I46 HydrophobicContact CG-CD1 4.23Å; V37-I46 HydrophobicContact CG1-CD1 4.42Å; V37-I46 WeakPolarHBondContact O-CB 3.28Å; V37-I46 PolarHBondContact O-N 3.12Å; D39-I46 HydrophobicContact CB-CD1 4.21Å; D39-I46 HydrophobicContact CB-CG1 4.46Å; T44-I46 PolarHBondContact O-N 3.15Å
47Q91.3Very high92.6Very high83 Ų8355 Ų5539%0.38829%0.292SS..EExtended strand (participates in β ladder)trans-153.1131.7-175.3-168.5175-9.100112.5V37 L49 L84V37-Q47 PolarHBondContact N-O 3.31Å; V37-Q47 PolarHBondContact O-N 3.36Å; Q47-L49 HydrophobicContact CB-CD2 4.43Å; Q47-L49 HydrophobicContact CG-CD2 3.86Å; Q47-L84 HydrophobicContact CB-CD1 4.06Å; Q47-L84 VanDerWaalsContact OE1-CD1 3.3Å
48P92.1Very high92.7Very high61 Ų6155.1 Ų55.140%0.39629%0.293SS..EExtended strand (participates in β ladder)trans-86.9122.7165.932.4-30.7000111.1L36L36-P48 HydrophobicContact CD2-CB 3.67Å
49L93.8Very high92.8Very high6 Ų655.2 Ų55.23%0.03129%0.293CS..EExtended strand (participates in β ladder)trans-94.4129.3178.5-48.6179.9000110.5V35 V37 Q47 F68 W80 L84V35-L49 HydrophobicContact CB-CB 4.23Å; V35-L49 HydrophobicContact CB-CD1 4.43Å; V35-L49 HydrophobicContact CG1-CD1 4.43Å; V35-L49 PolarHBondContact N-O 3.46Å; V35-L49 WeakPolarHBondContact O-CB 3.36Å; V35-L49 PolarHBondContact O-N 2.83Å; V37-L49 HydrophobicContact CG2-CD1 3.85Å; V37-L49 HydrophobicContact CG2-CG 4.12Å; Q47-L49 HydrophobicContact CB-CD2 4.43Å; Q47-L49 HydrophobicContact CG-CD2 3.86Å; L49-F68 HydrophobicContact CD1-CE2 4.19Å; L49-F68 HydrophobicContact CD1-CZ 3.59Å; L49-W80 HydrophobicContact CB-CE3 4.42Å; L49-W80 HydrophobicContact CB-CH2 3.83Å; L49-W80 HydrophobicContact CB-CZ2 4.31Å; L49-W80 HydrophobicContact CB-CZ3 3.89Å; L49-W80 HydrophobicContact CD1-CD2 4.04Å; L49-W80 HydrophobicContact CD1-CE3 3.83Å; L49-W80 HydrophobicContact CD1-CZ3 4.14Å; L49-W80 HydrophobicContact CG-CZ3 4.46Å; L49-L84 HydrophobicContact CD1-CB 4.24Å; L49-L84 HydrophobicContact CD2-CB 3.77Å
50K89.1Confident92.9Very high162 Ų16253.6 Ų53.670%0.70429%0.286SS*.  trans-110.6132.1177.6-63.2-179.6-177.4176.60108.6
51G86.5Confident93Very high37 Ų3754.4 Ų54.438%0.38129%0.288SS..  trans-177-34.4179.500000113.3
52H93.4Very high93.1Very high16 Ų1646.2 Ų46.27%0.07425%0.253CS..  trans-81148.2172.2-71.1-67.8000112V56 S70 S72 D74 S76H52-V56 HydrophobicContact CB-CG2 3.95Å; H52-S70 PolarHBondContact CD2-OG 2.87Å; H52-S70 PolarHBondContact NE2-O 2.91Å; H52-S70 PolarHBondContact NE2-OG 3.07Å; H52-S72 VanDerWaalsContact CG-CB 3.49Å; H52-S72 WeakPolarHBondContact ND1-CB 3.31Å; H52-D74 WeakPolarHBondContact CA-OD2 3.42Å; H52-D74 IonicContact CG-OD2 3.03Å; H52-D74 IonicContact ND1-OD1 3.17Å; H52-D74 PolarHBondContact ND1-OD1 2.99Å; H52-D74 IonicContact ND1-OD2 3.01Å; H52-D74 PolarHBondContact ND1-OD2 2.86Å; H52-S76 PolarHBondContact CE1-O 2.67Å; H52-S76 VanDerWaalsContact CE1-O 3.3Å; H52-S76 PolarHBondContact ND1-OG 3.45Å
53S93.3Very high93Very high83 Ų8349.9 Ų49.958%0.5826%0.261SS*.SBendtrans-97.3-8.9178.953.10000113.7D74S53-D74 PolarHBondContact N-OD2 3.35Å; S53-D74 WeakPolarHBondContact OG-CB 3.4Å; S53-D74 PolarHBondContact OG-OD2 3.3Å
54D95.1Very high92.9Very high69 Ų6952.5 Ų52.537%0.36927%0.274SS..SBendtrans-144.7179.3177.4-158.6-8000109.9V56 S72 A73 D74D54-V56 PolarHBondContact O-N 3.31Å; D54-S72 VanDerWaalsContact C-OG 3.3Å; D54-S72 PolarHBondContact O-OG 2.68Å; D54-A73 HydrophobicContact CB-CB 3.97Å; D54-A73 WeakPolarHBondContact OD2-CB 3.3Å; D54-D74 HydrophobicContact CB-CB 3.92Å
55T95.3Very high92.8Very high28 Ų2849.6 Ų49.617%0.17226%0.258CS..  trans-52.4125.7-173.8-54.50000111.9Y16 G32 Y57 S72 A73Y16-T55 HydrophobicContact CD2-CG2 3.84Å; Y16-T55 HydrophobicContact CE2-CG2 3.26Å; G32-T55 CarbonylContact O-C 3.36Å; G32-T55 WeakPolarHBondContact O-CA 3.16Å; T55-Y57 HydrophobicContact CG2-CD1 4.32Å; T55-Y57 HydrophobicContact CG2-CE1 4.03Å; T55-S72 CarbonylContact O-C 3.59Å; T55-S72 VanDerWaalsContact O-CA 3.3Å; T55-S72 WeakPolarHBondContact O-CA 3.46Å; T55-S72 WeakPolarHBondContact O-CB 3.39Å; T55-S72 PolarHBondContact O-OG 3.18Å; T55-A73 PolarHBondContact O-N 3.42Å
56V96.8Very high92.7Very high0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-81.7122.3173.6-172.30000107.8A30 G32 V35 H52 D54 V59 G71A30-V56 HydrophobicContact CB-CB 4.11Å; A30-V56 HydrophobicContact CB-CG1 3.77Å; G32-V56 PolarHBondContact O-N 3.32Å; V35-V56 HydrophobicContact CG2-CG1 4.14Å; V35-V56 HydrophobicContact CG2-CG2 4.43Å; H52-V56 HydrophobicContact CB-CG2 3.95Å; D54-V56 PolarHBondContact O-N 3.31Å; V56-V59 HydrophobicContact CG1-CG1 4.49Å; V56-G71 WeakPolarHBondContact CG1-O 3.47Å
57Y95.4Very high92.6Very high70 Ų7051.4 Ų51.428%0.27526%0.258SS..EExtended strand (participates in β ladder)trans-95.9-34-177.8-74.5-53000113.2Y16 D17 T55 G71 A73 I96Y16-Y57 WeakPolarHBondContact CB-O 2.85Å; Y16-Y57 AromaticContact CD1-CD1 3.79Å; Y16-Y57 HydrophobicContact CD1-CD1 3.79Å; Y16-Y57 HydrophobicContact CD1-CE1 4.14Å; Y16-Y57 AromaticContact CE1-CD1 3.99Å; Y16-Y57 HydrophobicContact CE1-CD1 3.99Å; Y16-Y57 AromaticContact CE1-CE1 3.84Å; Y16-Y57 HydrophobicContact CE1-CE1 3.84Å; Y16-Y57 HydrophobicContact CG-CD1 4.13Å; D17-Y57 VanDerWaalsContact CB-O 3.31Å; D17-Y57 WeakPolarHBondContact CB-O 3.28Å; T55-Y57 HydrophobicContact CG2-CD1 4.32Å; T55-Y57 HydrophobicContact CG2-CE1 4.03Å; Y57-G71 PolarHBondContact N-O 3.22Å; Y57-A73 HydrophobicContact CD2-CB 4.29Å; Y57-A73 HydrophobicContact CE2-CB 3.6Å; Y57-I96 WeakPolarHBondContact CD2-O 3.15Å
58C95.8Very high92.8Very high3 Ų347.4 Ų47.42%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-143.9147.2-169.257.70000112.3D17 S70 G71 V99D17-C58 WeakPolarHBondContact OD2-CA 3.32Å; C58-S70 WeakPolarHBondContact O-CA 3.04Å; C58-G71 PolarHBondContact N-O 3.49Å; C58-G71 PolarHBondContact O-N 3.13Å; C58-V99 HydrophobicContact CB-CG2 4.09Å
59V96.9Very high92.9Very high4 Ų444.5 Ų44.52%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-137.3139.8176-76.80000110.1D17 A19 I28 A30 V35 V56 A69D17-V59 HydrophobicContact CB-CG2 4.22Å; D17-V59 PolarHBondContact OD2-N 2.92Å; A19-V59 HydrophobicContact CB-CG2 4.33Å; I28-V59 HydrophobicContact CD1-CB 3.86Å; I28-V59 HydrophobicContact CD1-CG1 4.45Å; I28-V59 HydrophobicContact CD1-CG2 4.42Å; I28-V59 HydrophobicContact CG1-CB 4.1Å; I28-V59 HydrophobicContact CG1-CG2 4.13Å; A30-V59 HydrophobicContact CB-CG1 4.13Å; A30-V59 HydrophobicContact CB-CG2 4.4Å; V35-V59 HydrophobicContact CG1-CG1 4.15Å; V35-V59 HydrophobicContact CG2-CG1 4.3Å; V56-V59 HydrophobicContact CG1-CG1 4.49Å; V59-A69 VanDerWaalsContact CA-O 3.31Å; V59-A69 WeakPolarHBondContact CA-O 3.34Å
60A95.4Very high93Very high11 Ų1144.2 Ų44.29%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-142.8137.8176.100000111.3F68 A69 V99 Y101A60-F68 CarbonylContact O-C 3.49Å; A60-F68 VanDerWaalsContact O-CA 3.27Å; A60-F68 WeakPolarHBondContact O-CA 3.14Å; A60-F68 WeakPolarHBondContact O-CB 3.21Å; A60-A69 PolarHBondContact N-O 3.36Å; A60-A69 PolarHBondContact O-N 2.97Å; A60-V99 HydrophobicContact CB-CG2 3.79Å; A60-Y101 HydrophobicContact CB-CD2 4.06Å; A60-Y101 VanDerWaalsContact O-CE2 3.31Å; A60-Y101 WeakPolarHBondContact O-CE2 3.05Å
61Y94.4Very high93.4Very high23 Ų2336.5 Ų36.59%0.0919%0.186CC..EExtended strand (participates in β ladder)trans-93139.5175.4-130.2-68.3000110.6F20 K21 P22 I28 G65 R67 F68 Y101F20-Y61 WeakPolarHBondContact O-CB 3.37Å; K21-Y61 HydrophobicContact CB-CD2 4.08Å; K21-Y61 HydrophobicContact CB-CE1 4.5Å; K21-Y61 HydrophobicContact CB-CE2 3.71Å; K21-Y61 HydrophobicContact CG-CD1 4.48Å; K21-Y61 HydrophobicContact CG-CE1 3.95Å; K21-Y61 HydrophobicContact CG-CE2 3.97Å; P22-Y61 HydrophobicContact CG-CD1 4.36Å; I28-Y61 HydrophobicContact CD1-CD2 3.8Å; I28-Y61 HydrophobicContact CD1-CE2 4.35Å; I28-Y61 HydrophobicContact CG1-CD2 4.25Å; I28-Y61 HydrophobicContact CG2-CE2 4.17Å; Y61-G65 WeakPolarHBondContact CE1-O 3.34Å; Y61-R67 VanDerWaalsContact CD1-O 3.23Å; Y61-R67 WeakPolarHBondContact CD1-O 3.48Å; Y61-R67 WeakPolarHBondContact CE1-O 3.16Å; Y61-F68 HydrophobicContact CD1-CB 4.12Å; Y61-F68 HydrophobicContact CD2-CB 3.88Å; Y61-F68 HydrophobicContact CD2-CG 4.46Å; Y61-F68 HydrophobicContact CE1-CB 4.26Å; Y61-F68 HydrophobicContact CE2-CB 4.08Å; Y61-F68 HydrophobicContact CE2-CD1 4.03Å; Y61-F68 HydrophobicContact CE2-CG 4.27Å; Y61-F68 HydrophobicContact CG-CB 3.92Å; Y61-F68 AromaticContact CZ-CD1 3.97Å; Y61-Y101 VanDerWaalsContact C-CD2 3.47Å
62A92.3Very high93.8Very high1 Ų134.8 Ų34.81%0.00817%0.167CC..  trans-71.1147168.200000110.2P22 D64 G65 R67 Y101P22-A62 WeakPolarHBondContact CG-O 3.17Å; A62-D64 WeakPolarHBondContact CB-OD1 3.41Å; A62-D64 PolarHBondContact O-N 3.28Å; A62-D64 VanDerWaalsContact O-N 3.14Å; A62-G65 PolarHBondContact O-N 3.22Å; A62-R67 HydrophobicContact CB-CB 4.49Å; A62-R67 VanDerWaalsContact CB-O 3.27Å; A62-R67 WeakPolarHBondContact CB-O 3.49Å; A62-R67 PolarHBondContact N-O 3.06Å; A62-Y101 HydrophobicContact CB-CD1 3.98Å; A62-Y101 HydrophobicContact CB-CD2 4.12Å; A62-Y101 HydrophobicContact CB-CE1 4.06Å; A62-Y101 HydrophobicContact CB-CE2 4.19Å; A62-Y101 HydrophobicContact CB-CG 3.99Å
63R89.1Confident93.9Very high160 Ų16034.8 Ų34.860%0.60417%0.17SC*.THydrogen-bonded Turntrans-60.8-25.6-175.7-169.362.3173.1167.10.5114P22 G65P22-R63 WeakPolarHBondContact CB-O 3.28Å; P22-R63 WeakPolarHBondContact CG-O 3.49Å; R63-G65 VanDerWaalsContact C-N 3.29Å; R63-G65 PolarHBondContact O-N 3.47Å
64D88.6Confident94Very high57 Ų5732 Ų3231%0.30515%0.149SC..THydrogen-bonded Turntrans-76.5-12.3176.966.7-2.3000113.8A62 K66A62-D64 WeakPolarHBondContact CB-OD1 3.41Å; A62-D64 PolarHBondContact O-N 3.28Å; A62-D64 VanDerWaalsContact O-N 3.14Å; D64-K66 HydrophobicContact CB-CG 4.26Å; D64-K66 PolarHBondContact O-N 2.88Å; D64-K66 PolarHBondContact OD1-N 3.03Å; D64-K66 WeakPolarHBondContact OD2-CB 3.23Å
65G89.3Confident94Very high8 Ų833.3 Ų33.38%0.08215%0.152CC..SBendtrans70.96.4-177.200000114.6Y61 A62 R63Y61-G65 WeakPolarHBondContact CE1-O 3.34Å; A62-G65 PolarHBondContact O-N 3.22Å; R63-G65 VanDerWaalsContact C-N 3.29Å; R63-G65 PolarHBondContact O-N 3.47Å
66K90.4Very high93.9Very high138 Ų13832 Ų3260%0.614%0.143SC*.SBendtrans-87.7-26.8-177.6-62.8-178.1-178.6173.40112.8D64 T81 S82D64-K66 HydrophobicContact CB-CG 4.26Å; D64-K66 PolarHBondContact O-N 2.88Å; D64-K66 PolarHBondContact OD1-N 3.03Å; D64-K66 WeakPolarHBondContact OD2-CB 3.23Å; K66-T81 CarbonylContact O-C 3.57Å; K66-S82 PolarHBondContact O-N 2.71Å
67R91.6Very high93.7Very high59 Ų5932 Ų3222%0.22314%0.143CC..EExtended strand (participates in β ladder)trans-138.6154-176.8-66.8179.4-76.9-166.12.2111.2Y61 A62 I79 W80 P121 E122Y61-R67 VanDerWaalsContact CD1-O 3.23Å; Y61-R67 WeakPolarHBondContact CD1-O 3.48Å; Y61-R67 WeakPolarHBondContact CE1-O 3.16Å; A62-R67 HydrophobicContact CB-CB 4.49Å; A62-R67 VanDerWaalsContact CB-O 3.27Å; A62-R67 WeakPolarHBondContact CB-O 3.49Å; A62-R67 PolarHBondContact N-O 3.06Å; R67-I79 HydrophobicContact CB-CG2 4.26Å; R67-I79 HydrophobicContact CG-CG2 4.43Å; R67-W80 VanDerWaalsContact CA-O 3.23Å; R67-W80 WeakPolarHBondContact CA-O 3.32Å; R67-P121 VanDerWaalsContact NH1-CB 3.3Å; R67-P121 VanDerWaalsContact NH1-CG 3.3Å; R67-E122 IonicContact NH1-OE1 2.66Å
68F94.6Very high93.6Very high0 Ų029.2 Ų29.20%013%0.133CC..EExtended strand (participates in β ladder)trans-141.7160.6167.167.7-88.4000110.3I28 V35 L49 A60 Y61 W80 L84I28-F68 HydrophobicContact CD1-CB 3.72Å; I28-F68 HydrophobicContact CD1-CD2 3.44Å; I28-F68 VanDerWaalsContact CD1-CD2 3.44Å; I28-F68 HydrophobicContact CD1-CE2 4.19Å; I28-F68 HydrophobicContact CD1-CG 3.71Å; I28-F68 HydrophobicContact CG2-CD2 4.46Å; I28-F68 HydrophobicContact CG2-CE2 4.34Å; I28-F68 HydrophobicContact CG2-CZ 4.42Å; V35-F68 HydrophobicContact CG1-CE2 4.09Å; L49-F68 HydrophobicContact CD1-CE2 4.19Å; L49-F68 HydrophobicContact CD1-CZ 3.59Å; A60-F68 CarbonylContact O-C 3.49Å; A60-F68 VanDerWaalsContact O-CA 3.27Å; A60-F68 WeakPolarHBondContact O-CA 3.14Å; A60-F68 WeakPolarHBondContact O-CB 3.21Å; Y61-F68 HydrophobicContact CD1-CB 4.12Å; Y61-F68 HydrophobicContact CD2-CB 3.88Å; Y61-F68 HydrophobicContact CD2-CG 4.46Å; Y61-F68 HydrophobicContact CE1-CB 4.26Å; Y61-F68 HydrophobicContact CE2-CB 4.08Å; Y61-F68 HydrophobicContact CE2-CD1 4.03Å; Y61-F68 HydrophobicContact CE2-CG 4.27Å; Y61-F68 HydrophobicContact CG-CB 3.92Å; Y61-F68 AromaticContact CZ-CD1 3.97Å; F68-W80 HydrophobicContact CD1-CB 3.76Å; F68-W80 HydrophobicContact CD2-CB 3.9Å; F68-W80 AromaticContact CD2-CD1 3.57Å; F68-W80 AromaticContact CD2-CG 3.95Å; F68-W80 HydrophobicContact CD2-CG 3.95Å; F68-W80 HydrophobicContact CE1-CB 3.32Å; F68-W80 HydrophobicContact CE1-CG 4.09Å; F68-W80 HydrophobicContact CE2-CB 3.48Å; F68-W80 VanDerWaalsContact CE2-CB 3.48Å; F68-W80 AromaticContact CE2-CD1 3.2Å; F68-W80 HydrophobicContact CE2-CD2 4.16Å; F68-W80 AromaticContact CE2-CG 3.32Å; F68-W80 HydrophobicContact CE2-CG 3.32Å; F68-W80 AromaticContact CE2-NE1 3.94Å; F68-W80 HydrophobicContact CG-CB 4.03Å; F68-W80 HydrophobicContact CZ-CB 3.17Å; F68-W80 AromaticContact CZ-CD1 3.82Å; F68-W80 HydrophobicContact CZ-CD2 4.14Å; F68-W80 AromaticContact CZ-CG 3.41Å; F68-W80 HydrophobicContact CZ-CG 3.41Å; F68-W80 VanDerWaalsContact CZ-CG 3.41Å; F68-W80 PolarHBondContact N-O 3.31Å; F68-W80 VanDerWaalsContact N-O 3.07Å; F68-W80 PolarHBondContact O-N 2.99Å; F68-L84 HydrophobicContact CE1-CD2 3.81Å; F68-L84 HydrophobicContact CZ-CD2 4.19Å
69A94.6Very high93.5Very high0 Ų029 Ų290%013%0.132CC..EExtended strand (participates in β ladder)trans-119147.4-178.100000110.5V59 A60 I77 I78 I79 Y101 L108V59-A69 VanDerWaalsContact CA-O 3.31Å; V59-A69 WeakPolarHBondContact CA-O 3.34Å; A60-A69 PolarHBondContact N-O 3.36Å; A60-A69 PolarHBondContact O-N 2.97Å; A69-I77 HydrophobicContact CB-CG2 4.45Å; A69-I78 WeakPolarHBondContact CA-O 3.3Å; A69-I79 HydrophobicContact CB-CD1 3.7Å; A69-Y101 HydrophobicContact CB-CE2 3.75Å; A69-L108 HydrophobicContact CB-CD1 4.11Å; A69-L108 HydrophobicContact CB-CD2 3.69Å
70S96.3Very high93.3Very high0 Ų029.4 Ų29.40%013%0.133CC..EExtended strand (participates in β ladder)trans-127.3140.1167.461.10000110.6H52 C58 I77 I78 W80H52-S70 PolarHBondContact CD2-OG 2.87Å; H52-S70 PolarHBondContact NE2-O 2.91Å; H52-S70 PolarHBondContact NE2-OG 3.07Å; C58-S70 WeakPolarHBondContact O-CA 3.04Å; S70-I77 CarbonylContact O-C 3.57Å; S70-I77 VanDerWaalsContact O-CA 3.25Å; S70-I77 WeakPolarHBondContact O-CA 3.37Å; S70-I78 PolarHBondContact N-O 3.4Å; S70-I78 PolarHBondContact O-N 2.72Å; S70-W80 PolarHBondContact OG-NE1 3.32Å
71G95.8Very high93.1Very high0 Ų030.1 Ų30.10%014%0.136CC..EExtended strand (participates in β ladder)trans-122.3140177.800000111.7V56 Y57 C58V56-G71 WeakPolarHBondContact CG1-O 3.47Å; Y57-G71 PolarHBondContact N-O 3.22Å; C58-G71 PolarHBondContact N-O 3.49Å; C58-G71 PolarHBondContact O-N 3.13Å
72S96.2Very high92.7Very high0 Ų032.3 Ų32.30%016%0.155CC..EExtended strand (participates in β ladder)trans-130.1161.4-172.1170.50000113.8H52 D54 T55 D74 K75 S76 I96H52-S72 VanDerWaalsContact CG-CB 3.49Å; H52-S72 WeakPolarHBondContact ND1-CB 3.31Å; D54-S72 VanDerWaalsContact C-OG 3.3Å; D54-S72 PolarHBondContact O-OG 2.68Å; T55-S72 CarbonylContact O-C 3.59Å; T55-S72 VanDerWaalsContact O-CA 3.3Å; T55-S72 WeakPolarHBondContact O-CA 3.46Å; T55-S72 WeakPolarHBondContact O-CB 3.39Å; T55-S72 PolarHBondContact O-OG 3.18Å; S72-D74 VanDerWaalsContact CB-OD1 3.28Å; S72-D74 WeakPolarHBondContact CB-OD1 3.19Å; S72-D74 PolarHBondContact O-N 3.47Å; S72-D74 PolarHBondContact OG-N 2.95Å; S72-D74 VanDerWaalsContact OG-N 3.07Å; S72-D74 PolarHBondContact OG-OD1 2.93Å; S72-K75 PolarHBondContact O-N 3.03Å; S72-K75 VanDerWaalsContact O-N 3.14Å; S72-S76 PolarHBondContact N-O 2.89Å; S72-S76 VanDerWaalsContact N-O 3.16Å; S72-I96 PolarHBondContact O-N 3.48Å; S72-I96 VanDerWaalsContact O-N 3.09Å
73A95.9Very high92.5Very high16 Ų1639.7 Ų39.713%0.13219%0.187CC..THydrogen-bonded Turntrans-56-23.5165.400000113.1D54 T55 Y57 K75D54-A73 HydrophobicContact CB-CB 3.97Å; D54-A73 WeakPolarHBondContact OD2-CB 3.3Å; T55-A73 PolarHBondContact O-N 3.42Å; Y57-A73 HydrophobicContact CD2-CB 4.29Å; Y57-A73 HydrophobicContact CE2-CB 3.6Å; A73-K75 PolarHBondContact O-N 3.23Å
74D94.8Very high92.5Very high26 Ų2633 Ų3314%0.13916%0.163CC..THydrogen-bonded Turntrans-71.49.5173.977.72.7000114H52 S53 D54 S72 S76 R89H52-D74 WeakPolarHBondContact CA-OD2 3.42Å; H52-D74 IonicContact CG-OD2 3.03Å; H52-D74 IonicContact ND1-OD1 3.17Å; H52-D74 PolarHBondContact ND1-OD1 2.99Å; H52-D74 IonicContact ND1-OD2 3.01Å; H52-D74 PolarHBondContact ND1-OD2 2.86Å; S53-D74 PolarHBondContact N-OD2 3.35Å; S53-D74 WeakPolarHBondContact OG-CB 3.4Å; S53-D74 PolarHBondContact OG-OD2 3.3Å; D54-D74 HydrophobicContact CB-CB 3.92Å; S72-D74 VanDerWaalsContact CB-OD1 3.28Å; S72-D74 WeakPolarHBondContact CB-OD1 3.19Å; S72-D74 PolarHBondContact O-N 3.47Å; S72-D74 PolarHBondContact OG-N 2.95Å; S72-D74 VanDerWaalsContact OG-N 3.07Å; S72-D74 PolarHBondContact OG-OD1 2.93Å; D74-S76 PolarHBondContact O-N 3.12Å; D74-S76 VanDerWaalsContact O-N 3.15Å; D74-S76 WeakPolarHBondContact OD1-CA 3.39Å; D74-S76 VanDerWaalsContact OD1-CB 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.5Å; D74-S76 PolarHBondContact OD1-N 3.49Å; D74-S76 PolarHBondContact OD1-OG 3.35Å; D74-S76 PolarHBondContact OD2-OG 3Å; D74-R89 IonicContact OD2-NH2 2.72Å; D74-R89 PolarHBondContact OD2-NH2 2.78Å; D74-R89 VanDerWaalsContact OD2-NH2 3.14Å
75K94.3Very high92.6Very high96 Ų9636 Ų3642%0.41718%0.175SC..SBendtrans67.56.4178-42.7178.3174.5-165.60113.6S72 A73 T91 H92 N93 D94S72-K75 PolarHBondContact O-N 3.03Å; S72-K75 VanDerWaalsContact O-N 3.14Å; A73-K75 PolarHBondContact O-N 3.23Å; K75-T91 CarbonylContact O-C 3.18Å; K75-T91 WeakPolarHBondContact O-CA 3.45Å; K75-H92 PolarHBondContact O-N 2.73Å; K75-N93 WeakPolarHBondContact CD-O 3.46Å; K75-N93 PolarHBondContact NZ-O 2.8Å; K75-D94 WeakPolarHBondContact CB-O 3.11Å
76S93.1Very high92.5Very high0 Ų037.8 Ų37.80%019%0.194CC..EExtended strand (participates in β ladder)trans-106.1154.6-178.877.40000113.3H52 S72 D74 R89 Y90H52-S76 PolarHBondContact CE1-O 2.67Å; H52-S76 VanDerWaalsContact CE1-O 3.3Å; H52-S76 PolarHBondContact ND1-OG 3.45Å; S72-S76 PolarHBondContact N-O 2.89Å; S72-S76 VanDerWaalsContact N-O 3.16Å; D74-S76 PolarHBondContact O-N 3.12Å; D74-S76 VanDerWaalsContact O-N 3.15Å; D74-S76 WeakPolarHBondContact OD1-CA 3.39Å; D74-S76 VanDerWaalsContact OD1-CB 3.29Å; D74-S76 WeakPolarHBondContact OD1-CB 3.5Å; D74-S76 PolarHBondContact OD1-N 3.49Å; D74-S76 PolarHBondContact OD1-OG 3.35Å; D74-S76 PolarHBondContact OD2-OG 3Å; S76-R89 PolarHBondContact OG-NE 2.64Å; S76-R89 VanDerWaalsContact OG-NE 3.09Å; S76-R89 PolarHBondContact OG-NH2 3.44Å; S76-Y90 CarbonylContact C-O 3.47Å; S76-Y90 WeakPolarHBondContact CA-O 3.47Å; S76-Y90 WeakPolarHBondContact CB-O 3.45Å
77I93.2Very high92.3Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-120131.7173.9-56.5156.8000106.9A69 S70 I79 R89 Y90 H92 I96 L108 W119A69-I77 HydrophobicContact CB-CG2 4.45Å; S70-I77 CarbonylContact O-C 3.57Å; S70-I77 VanDerWaalsContact O-CA 3.25Å; S70-I77 WeakPolarHBondContact O-CA 3.37Å; I77-I79 HydrophobicContact CG2-CD1 4.28Å; I77-R89 VanDerWaalsContact O-CA 3.3Å; I77-R89 WeakPolarHBondContact O-CA 3.27Å; I77-Y90 PolarHBondContact N-O 3.44Å; I77-Y90 PolarHBondContact O-N 3.49Å; I77-H92 WeakPolarHBondContact CD1-NE2 3.35Å; I77-I96 HydrophobicContact CD1-CD1 3.93Å; I77-I96 HydrophobicContact CD1-CG1 4.39Å; I77-I96 HydrophobicContact CG1-CD1 3.85Å; I77-I96 HydrophobicContact CG1-CG1 3.75Å; I77-I96 HydrophobicContact CG1-CG2 4.32Å; I77-L108 HydrophobicContact CG2-CD2 4.14Å; I77-W119 HydrophobicContact CB-CZ2 4.44Å; I77-W119 HydrophobicContact CD1-CZ2 4.16Å; I77-W119 HydrophobicContact CG2-CH2 4.5Å; I77-W119 HydrophobicContact CG2-CZ2 4.06Å
78I93.2Very high91.9Very high11 Ų1135 Ų356%0.05619%0.189CC..EExtended strand (participates in β ladder)trans-114.7130.1175.5-59.3173.9000108.9A69 S70 W80 L88 R89A69-I78 WeakPolarHBondContact CA-O 3.3Å; S70-I78 PolarHBondContact N-O 3.4Å; S70-I78 PolarHBondContact O-N 2.72Å; I78-W80 HydrophobicContact CB-CZ2 4.04Å; I78-W80 HydrophobicContact CD1-CZ2 4.06Å; I78-W80 HydrophobicContact CG2-CD2 3.94Å; I78-W80 VanDerWaalsContact CG2-CE2 3.44Å; I78-W80 HydrophobicContact CG2-CE3 4.5Å; I78-W80 HydrophobicContact CG2-CG 4.37Å; I78-W80 HydrophobicContact CG2-CH2 4.2Å; I78-W80 HydrophobicContact CG2-CZ2 3.6Å; I78-W80 PolarHBondContact O-NE1 3.08Å; I78-L88 WeakPolarHBondContact CA-O 3.46Å; I78-R89 HydrophobicContact CG1-CG 4.23Å
79I92.9Very high91.5Very high0 Ų041.6 Ų41.60%021%0.214CC..EExtended strand (participates in β ladder)trans-95.2126.3169.9-51.6-54.5000108.9R67 A69 I77 G86 I87 L88 L108 W119R67-I79 HydrophobicContact CB-CG2 4.26Å; R67-I79 HydrophobicContact CG-CG2 4.43Å; A69-I79 HydrophobicContact CB-CD1 3.7Å; I77-I79 HydrophobicContact CG2-CD1 4.28Å; I79-G86 WeakPolarHBondContact O-CA 3.3Å; I79-I87 HydrophobicContact CB-CG1 4.37Å; I79-I87 HydrophobicContact CG2-CD1 4.32Å; I79-I87 HydrophobicContact CG2-CG1 4.31Å; I79-I87 VanDerWaalsContact O-CG1 3.3Å; I79-I87 WeakPolarHBondContact O-CG1 3.27Å; I79-I87 PolarHBondContact O-N 3.28Å; I79-L88 HydrophobicContact CB-CB 4.24Å; I79-L88 HydrophobicContact CG1-CB 4.26Å; I79-L88 PolarHBondContact N-O 3.15Å; I79-L108 HydrophobicContact CD1-CD2 3.61Å; I79-W119 HydrophobicContact CD1-CH2 3.62Å; I79-W119 HydrophobicContact CD1-CZ2 4.4Å; I79-W119 HydrophobicContact CD1-CZ3 4.3Å; I79-W119 HydrophobicContact CG1-CH2 3.68Å; I79-W119 HydrophobicContact CG1-CZ3 4.09Å
80W93.6Very high91.1Very high11 Ų1143 Ų434%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-109143.8-178.9-54.488.4000110.3L49 R67 F68 S70 I78 E85 G86L49-W80 HydrophobicContact CB-CE3 4.42Å; L49-W80 HydrophobicContact CB-CH2 3.83Å; L49-W80 HydrophobicContact CB-CZ2 4.31Å; L49-W80 HydrophobicContact CB-CZ3 3.89Å; L49-W80 HydrophobicContact CD1-CD2 4.04Å; L49-W80 HydrophobicContact CD1-CE3 3.83Å; L49-W80 HydrophobicContact CD1-CZ3 4.14Å; L49-W80 HydrophobicContact CG-CZ3 4.46Å; R67-W80 VanDerWaalsContact CA-O 3.23Å; R67-W80 WeakPolarHBondContact CA-O 3.32Å; F68-W80 HydrophobicContact CD1-CB 3.76Å; F68-W80 HydrophobicContact CD2-CB 3.9Å; F68-W80 AromaticContact CD2-CD1 3.57Å; F68-W80 AromaticContact CD2-CG 3.95Å; F68-W80 HydrophobicContact CD2-CG 3.95Å; F68-W80 HydrophobicContact CE1-CB 3.32Å; F68-W80 HydrophobicContact CE1-CG 4.09Å; F68-W80 HydrophobicContact CE2-CB 3.48Å; F68-W80 VanDerWaalsContact CE2-CB 3.48Å; F68-W80 AromaticContact CE2-CD1 3.2Å; F68-W80 HydrophobicContact CE2-CD2 4.16Å; F68-W80 AromaticContact CE2-CG 3.32Å; F68-W80 HydrophobicContact CE2-CG 3.32Å; F68-W80 AromaticContact CE2-NE1 3.94Å; F68-W80 HydrophobicContact CG-CB 4.03Å; F68-W80 HydrophobicContact CZ-CB 3.17Å; F68-W80 AromaticContact CZ-CD1 3.82Å; F68-W80 HydrophobicContact CZ-CD2 4.14Å; F68-W80 AromaticContact CZ-CG 3.41Å; F68-W80 HydrophobicContact CZ-CG 3.41Å; F68-W80 VanDerWaalsContact CZ-CG 3.41Å; F68-W80 PolarHBondContact N-O 3.31Å; F68-W80 VanDerWaalsContact N-O 3.07Å; F68-W80 PolarHBondContact O-N 2.99Å; S70-W80 PolarHBondContact OG-NE1 3.32Å; I78-W80 HydrophobicContact CB-CZ2 4.04Å; I78-W80 HydrophobicContact CD1-CZ2 4.06Å; I78-W80 HydrophobicContact CG2-CD2 3.94Å; I78-W80 VanDerWaalsContact CG2-CE2 3.44Å; I78-W80 HydrophobicContact CG2-CE3 4.5Å; I78-W80 HydrophobicContact CG2-CG 4.37Å; I78-W80 HydrophobicContact CG2-CH2 4.2Å; I78-W80 HydrophobicContact CG2-CZ2 3.6Å; I78-W80 PolarHBondContact O-NE1 3.08Å; W80-E85 CarbonylContact C-O 3.48Å; W80-E85 VanDerWaalsContact CA-O 3.31Å; W80-E85 WeakPolarHBondContact CA-O 3.47Å; W80-G86 VanDerWaalsContact CE3-N 3.31Å
81T91.6Very high90.7Very high26 Ų2647.1 Ų47.116%0.1624%0.244CC..EExtended strand (participates in β ladder)trans-82.6169.8173.264.50000111.5K66 K83 L84 E85 I87K66-T81 CarbonylContact O-C 3.57Å; T81-K83 PolarHBondContact O-N 3.05Å; T81-K83 PolarHBondContact OG1-N 3.46Å; T81-L84 WeakPolarHBondContact O-CA 3.43Å; T81-L84 PolarHBondContact O-N 3.31Å; T81-E85 PolarHBondContact N-O 2.77Å; T81-E85 PolarHBondContact OG1-N 3Å; T81-E85 PolarHBondContact OG1-O 3.48Å; T81-I87 HydrophobicContact CG2-CB 4.3Å; T81-I87 HydrophobicContact CG2-CD1 3.8Å; T81-I87 HydrophobicContact CG2-CG1 3.95Å; T81-I87 HydrophobicContact CG2-CG2 3.41Å; T81-I87 VanDerWaalsContact CG2-CG2 3.41Å
82S85.7Confident90.4Very high70 Ų7047.5 Ų47.549%0.4925%0.246SC..THydrogen-bonded Turntrans-60.4-19.2169.657.90000113.9K66 L84K66-S82 PolarHBondContact O-N 2.71Å; S82-L84 VanDerWaalsContact C-N 3.26Å
83K87.2Confident90.1Very high156 Ų15652.6 Ų52.668%0.67827%0.273SS*.THydrogen-bonded Turntrans-86.56.5172.3-62.3-175.4-180-179.70113.2T81 E85T81-K83 PolarHBondContact O-N 3.05Å; T81-K83 PolarHBondContact OG1-N 3.46Å; K83-E85 VanDerWaalsContact C-N 3.3Å; K83-E85 PolarHBondContact O-N 2.73Å
84L90.6Very high89.9Confident18 Ų1855.1 Ų55.19%0.09429%0.285CS..SBendtrans67.226.7178-46.3180000114.1V37 Q47 L49 F68 T81 S82V37-L84 HydrophobicContact CB-CD1 4.25Å; V37-L84 HydrophobicContact CG1-CD1 4.19Å; V37-L84 HydrophobicContact CG1-CD2 4.3Å; V37-L84 HydrophobicContact CG2-CD1 3.99Å; V37-L84 HydrophobicContact CG2-CD2 3.89Å; Q47-L84 HydrophobicContact CB-CD1 4.06Å; Q47-L84 VanDerWaalsContact OE1-CD1 3.3Å; L49-L84 HydrophobicContact CD1-CB 4.24Å; L49-L84 HydrophobicContact CD2-CB 3.77Å; F68-L84 HydrophobicContact CE1-CD2 3.81Å; F68-L84 HydrophobicContact CZ-CD2 4.19Å; T81-L84 WeakPolarHBondContact O-CA 3.43Å; T81-L84 PolarHBondContact O-N 3.31Å; S82-L84 VanDerWaalsContact C-N 3.26Å
85E89.6Confident89.9Confident120 Ų12054.5 Ų54.556%0.56128%0.283SS*.  trans-101.7132.9176.9-65172.7174.500110.5W80 T81 K83 I87W80-E85 CarbonylContact C-O 3.48Å; W80-E85 VanDerWaalsContact CA-O 3.31Å; W80-E85 WeakPolarHBondContact CA-O 3.47Å; T81-E85 PolarHBondContact N-O 2.77Å; T81-E85 PolarHBondContact OG1-N 3Å; T81-E85 PolarHBondContact OG1-O 3.48Å; K83-E85 VanDerWaalsContact C-N 3.3Å; K83-E85 PolarHBondContact O-N 2.73Å; E85-I87 PolarHBondContact O-N 3.44Å
86G88.4Confident89.9Confident46 Ų4649.9 Ų49.947%0.47426%0.263SS..EExtended strand (participates in β ladder)trans-78.9112.7176.600000110.8I79 W80I79-G86 WeakPolarHBondContact O-CA 3.3Å; W80-G86 VanDerWaalsContact CE3-N 3.31Å
87I85.9Confident90Very high84 Ų8451.1 Ų51.143%0.43127%0.269SS..EExtended strand (participates in β ladder)trans-102.7-25-172.350.5162.1000114.2I79 T81 E85I79-I87 HydrophobicContact CB-CG1 4.37Å; I79-I87 HydrophobicContact CG2-CD1 4.32Å; I79-I87 HydrophobicContact CG2-CG1 4.31Å; I79-I87 VanDerWaalsContact O-CG1 3.3Å; I79-I87 WeakPolarHBondContact O-CG1 3.27Å; I79-I87 PolarHBondContact O-N 3.28Å; T81-I87 HydrophobicContact CG2-CB 4.3Å; T81-I87 HydrophobicContact CG2-CD1 3.8Å; T81-I87 HydrophobicContact CG2-CG1 3.95Å; T81-I87 HydrophobicContact CG2-CG2 3.41Å; T81-I87 VanDerWaalsContact CG2-CG2 3.41Å; E85-I87 PolarHBondContact O-N 3.44Å
88L81.8Confident90.1Very high56 Ų5651.7 Ų51.729%0.29327%0.273SS..EExtended strand (participates in β ladder)trans-143.7136.7-176.8-67.3169.1000110.4I78 I79 Y90 P121I78-L88 WeakPolarHBondContact CA-O 3.46Å; I79-L88 HydrophobicContact CB-CB 4.24Å; I79-L88 HydrophobicContact CG1-CB 4.26Å; I79-L88 PolarHBondContact N-O 3.15Å; L88-Y90 HydrophobicContact CB-CD2 4.42Å; L88-Y90 HydrophobicContact CB-CE2 3.8Å; L88-Y90 HydrophobicContact CD1-CE2 4.27Å; L88-Y90 HydrophobicContact CG-CE2 4.47Å; L88-P121 HydrophobicContact CD1-CB 4Å; L88-P121 WeakPolarHBondContact CD1-O 3.47Å
89R87Confident90.3Very high138 Ų13851.8 Ų51.852%0.52127%0.274SS..EExtended strand (participates in β ladder)trans-125.3121.8175.8-170.9176.8-171.4-172.91.5110.4D74 S76 I77 I78D74-R89 IonicContact OD2-NH2 2.72Å; D74-R89 PolarHBondContact OD2-NH2 2.78Å; D74-R89 VanDerWaalsContact OD2-NH2 3.14Å; S76-R89 PolarHBondContact OG-NE 2.64Å; S76-R89 VanDerWaalsContact OG-NE 3.09Å; S76-R89 PolarHBondContact OG-NH2 3.44Å; I77-R89 VanDerWaalsContact O-CA 3.3Å; I77-R89 WeakPolarHBondContact O-CA 3.27Å; I78-R89 HydrophobicContact CG1-CG 4.23Å
90Y86Confident90.4Very high28 Ų2852.5 Ų52.511%0.1128%0.28CS..EExtended strand (participates in β ladder)trans-118.1155175.5-65.7-91.5000110.4S76 I77 L88 W119 Q123 V126S76-Y90 CarbonylContact C-O 3.47Å; S76-Y90 WeakPolarHBondContact CA-O 3.47Å; S76-Y90 WeakPolarHBondContact CB-O 3.45Å; I77-Y90 PolarHBondContact N-O 3.44Å; I77-Y90 PolarHBondContact O-N 3.49Å; L88-Y90 HydrophobicContact CB-CD2 4.42Å; L88-Y90 HydrophobicContact CB-CE2 3.8Å; L88-Y90 HydrophobicContact CD1-CE2 4.27Å; L88-Y90 HydrophobicContact CG-CE2 4.47Å; Y90-W119 HydrophobicContact CD2-CE3 4.23Å; Y90-W119 AromaticContact CD2-CH2 3.13Å; Y90-W119 HydrophobicContact CD2-CH2 3.13Å; Y90-W119 AromaticContact CD2-CZ2 3.72Å; Y90-W119 HydrophobicContact CD2-CZ2 3.72Å; Y90-W119 AromaticContact CD2-CZ3 3.45Å; Y90-W119 HydrophobicContact CD2-CZ3 3.45Å; Y90-W119 VanDerWaalsContact CD2-CZ3 3.45Å; Y90-W119 AromaticContact CE2-CE3 3.87Å; Y90-W119 HydrophobicContact CE2-CE3 3.87Å; Y90-W119 AromaticContact CE2-CH2 3.37Å; Y90-W119 HydrophobicContact CE2-CH2 3.37Å; Y90-W119 HydrophobicContact CE2-CZ2 4.29Å; Y90-W119 AromaticContact CE2-CZ3 3.13Å; Y90-W119 HydrophobicContact CE2-CZ3 3.13Å; Y90-W119 AromaticContact CG-CH2 3.97Å; Y90-W119 HydrophobicContact CG-CH2 3.97Å; Y90-W119 HydrophobicContact CG-CZ2 4.12Å; Y90-W119 HydrophobicContact CG-CZ3 4.31Å; Y90-W119 AromaticContact CZ-CZ3 3.78Å; Y90-Q123 PolarHBondContact OH-O 2.69Å; Y90-V126 HydrophobicContact CD1-CG2 3.82Å; Y90-V126 HydrophobicContact CE1-CG2 4.18Å; Y90-V126 HydrophobicContact CG-CG2 4.36Å
91T88Confident90.4Very high87 Ų8752.9 Ų52.953%0.53428%0.281SS..EExtended strand (participates in β ladder)trans-129.3130.7-175.554.10000112.8K75 K128K75-T91 CarbonylContact O-C 3.18Å; K75-T91 WeakPolarHBondContact O-CA 3.45Å; T91-K128 VanDerWaalsContact O-CE 3.31Å; T91-K128 WeakPolarHBondContact O-CE 3.36Å; T91-K128 PolarHBondContact O-NZ 3.08Å
92H90Very high90.5Very high8 Ų851.7 Ų51.74%0.03727%0.274CS..  trans-92.9173.2169.3-75.8-109.9000111.4K75 I77 D94 I96 S110 D115K75-H92 PolarHBondContact O-N 2.73Å; I77-H92 WeakPolarHBondContact CD1-NE2 3.35Å; H92-D94 VanDerWaalsContact C-N 3.3Å; H92-I96 HydrophobicContact CB-CD1 3.61Å; H92-I96 WeakPolarHBondContact CD2-CD1 3.12Å; H92-I96 VanDerWaalsContact CG-CD1 3.46Å; H92-S110 PolarHBondContact NE2-OG 3.35Å; H92-D115 IonicContact CE1-OD1 2.66Å; H92-D115 IonicContact CG-OD1 2.73Å; H92-D115 IonicContact ND1-OD1 2.86Å; H92-D115 PolarHBondContact ND1-OD1 3.06Å
93N88.3Confident90.7Very high107 Ų10750.2 Ų50.257%0.57226%0.262SS*.SBendtrans-77.6-21.8178-62.6-27.5000112.2K75 D115K75-N93 WeakPolarHBondContact CD-O 3.46Å; K75-N93 PolarHBondContact NZ-O 2.8Å; N93-D115 PolarHBondContact ND2-OD2 3.46Å
94D92.4Very high90.9Very high69 Ų6947.6 Ų47.637%0.36926%0.255SS..SBendtrans-136.1171.6-176.2-149.6-24.7000111.2K75 H92 S113K75-D94 WeakPolarHBondContact CB-O 3.11Å; H92-D94 VanDerWaalsContact C-N 3.3Å; D94-S113 WeakPolarHBondContact OD2-CB 3.42Å
95A94.6Very high90.8Very high13 Ų1350.2 Ų50.211%0.10727%0.272CS..  trans-58133.9179.900000111.7Q97 S112 S113A95-Q97 PolarHBondContact O-N 2.74Å; A95-Q97 PolarHBondContact O-NE2 3.44Å; A95-S112 CarbonylContact O-C 3.34Å; A95-S112 VanDerWaalsContact O-CA 3.23Å; A95-S112 WeakPolarHBondContact O-CA 3.5Å; A95-S112 WeakPolarHBondContact O-CB 3.12Å; A95-S113 PolarHBondContact O-N 2.87Å; A95-S113 PolarHBondContact O-OG 3.04Å
96I95.9Very high90.6Very high0 Ų047.5 Ų47.50%026%0.259CS..EExtended strand (participates in β ladder)trans-75.6125.2176.8-51.5-60.4000109.1Y57 S72 I77 H92 V99Y57-I96 WeakPolarHBondContact CD2-O 3.15Å; S72-I96 PolarHBondContact O-N 3.48Å; S72-I96 VanDerWaalsContact O-N 3.09Å; I77-I96 HydrophobicContact CD1-CD1 3.93Å; I77-I96 HydrophobicContact CD1-CG1 4.39Å; I77-I96 HydrophobicContact CG1-CD1 3.85Å; I77-I96 HydrophobicContact CG1-CG1 3.75Å; I77-I96 HydrophobicContact CG1-CG2 4.32Å; H92-I96 HydrophobicContact CB-CD1 3.61Å; H92-I96 WeakPolarHBondContact CD2-CD1 3.12Å; H92-I96 VanDerWaalsContact CG-CD1 3.46Å; I96-V99 HydrophobicContact CG2-CG1 3.87Å
97Q94.9Very high90.6Very high25 Ų2547.1 Ų47.112%0.11725%0.245CC..EExtended strand (participates in β ladder)trans-100.4-41.9-176.2-62.4-58.6-62.900112A95 C111 S113 I135A95-Q97 PolarHBondContact O-N 2.74Å; A95-Q97 PolarHBondContact O-NE2 3.44Å; Q97-C111 PolarHBondContact N-O 3.34Å; Q97-S113 PolarHBondContact NE2-OG 3.36Å; Q97-I135 VanDerWaalsContact CB-O 3.22Å; Q97-I135 WeakPolarHBondContact CB-O 3.2Å; Q97-I135 VanDerWaalsContact CG-O 3.28Å; Q97-I135 WeakPolarHBondContact CG-O 3.38Å
98C95.1Very high90.9Very high13 Ų1343.1 Ų43.19%0.08822%0.224CC..EExtended strand (participates in β ladder)trans-149.8151.7179.459.20000111.6C111 C137 C138C98-C111 PolarHBondContact N-O 3.19Å; C98-C111 WeakPolarHBondContact O-CB 3.11Å; C98-C111 PolarHBondContact O-N 3.28Å; C98-C111 WeakPolarHBondContact SG-CB 3.43Å; C98-C137 VanDerWaalsContact SG-CA 3.52Å; C98-C138 PolarHBondContact SG-N 3.46Å; C98-C138 VanDerWaalsContact SG-N 3.41Å; C98-C138 PolarHBondContact SG-SG 3.01Å
99V95.8Very high91.5Very high13 Ų1340.5 Ų40.58%0.07921%0.211CC..EExtended strand (participates in β ladder)trans-133.8143.6176.2-680000109.3C58 A60 I96 L108 A109C58-V99 HydrophobicContact CB-CG2 4.09Å; A60-V99 HydrophobicContact CB-CG2 3.79Å; I96-V99 HydrophobicContact CG2-CG1 3.87Å; V99-L108 HydrophobicContact CB-CD1 4.25Å; V99-A109 CarbonylContact C-O 3.45Å; V99-A109 VanDerWaalsContact CA-O 3.29Å; V99-A109 WeakPolarHBondContact CA-O 3.36Å
100A95.4Very high91.9Very high14 Ų1433.9 Ų33.912%0.11619%0.186CC..EExtended strand (participates in β ladder)trans-148.2126.4176.900000110.8A109 W140A100-A109 PolarHBondContact N-O 3.1Å; A100-A109 WeakPolarHBondContact O-CB 3.12Å; A100-A109 PolarHBondContact O-N 3.34Å; A100-W140 PolarHBondContact O-NE1 3.46Å
101Y94.3Very high92.3Very high20 Ų2032.6 Ų32.68%0.07818%0.18CC..EExtended strand (participates in β ladder)trans-77.3137.9171.6-82.2-78.8000110.8A60 Y61 A62 A69 H106 L108 W140A60-Y101 HydrophobicContact CB-CD2 4.06Å; A60-Y101 VanDerWaalsContact O-CE2 3.31Å; A60-Y101 WeakPolarHBondContact O-CE2 3.05Å; Y61-Y101 VanDerWaalsContact C-CD2 3.47Å; A62-Y101 HydrophobicContact CB-CD1 3.98Å; A62-Y101 HydrophobicContact CB-CD2 4.12Å; A62-Y101 HydrophobicContact CB-CE1 4.06Å; A62-Y101 HydrophobicContact CB-CE2 4.19Å; A62-Y101 HydrophobicContact CB-CG 3.99Å; A69-Y101 HydrophobicContact CB-CE2 3.75Å; Y101-H106 WeakPolarHBondContact CD1-O 3.41Å; Y101-L108 HydrophobicContact CD1-CB 4.16Å; Y101-L108 HydrophobicContact CD1-CD1 4Å; Y101-L108 HydrophobicContact CD2-CD1 3.86Å; Y101-L108 HydrophobicContact CE1-CB 3.9Å; Y101-L108 HydrophobicContact CE1-CD1 3.97Å; Y101-L108 HydrophobicContact CE1-CG 4.38Å; Y101-L108 HydrophobicContact CE2-CD1 3.83Å; Y101-L108 HydrophobicContact CG-CD1 3.96Å; Y101-W140 VanDerWaalsContact C-CD1 3.48Å; Y101-W140 VanDerWaalsContact O-CD1 3.27Å
102N93.2Very high92.6Very high0 Ų028.4 Ų28.40%016%0.155CC..  trans-63.1126.6166.4-172.3-57.2000108.9I104 T105 H106 Q107 W140 G144N102-I104 PolarHBondContact O-N 3.28Å; N102-I104 PolarHBondContact OD1-N 3.31Å; N102-T105 VanDerWaalsContact CB-OG1 3.32Å; N102-T105 WeakPolarHBondContact CB-OG1 3.36Å; N102-T105 PolarHBondContact ND2-OG1 3.46Å; N102-T105 PolarHBondContact OD1-N 3.25Å; N102-T105 PolarHBondContact OD1-OG1 3.28Å; N102-H106 PolarHBondContact O-N 2.94Å; N102-Q107 HydrophobicContact CB-CB 4.18Å; N102-Q107 WeakPolarHBondContact CB-O 3.31Å; N102-Q107 PolarHBondContact N-O 3.24Å; N102-W140 HydrophobicContact CB-CD2 4.16Å; N102-W140 HydrophobicContact CB-CZ2 4.19Å; N102-W140 VanDerWaalsContact ND2-CZ3 3.31Å; N102-W140 WeakPolarHBondContact ND2-CZ3 2.87Å; N102-G144 PolarHBondContact ND2-O 2.88Å; N102-G144 WeakPolarHBondContact OD1-CA 3.33Å
103P90.3Very high92.6Very high39 Ų3929 Ų2925%0.25316%0.16SC..THydrogen-bonded Turntrans-68.4-19.2-173.826.2-34.1000113.8W140 T141 N142P103-W140 HydrophobicContact CG-CB 4.48Å; P103-T141 VanDerWaalsContact CG-O 3.28Å; P103-T141 WeakPolarHBondContact CG-O 3.33Å; P103-N142 WeakPolarHBondContact CG-O 2.92Å
104I91.2Very high92.7Very high101 Ų10125.3 Ų25.352%0.51815%0.147SC..THydrogen-bonded Turntrans-108.1-53.7-178.4-56.2-159.6000111.8N102 H106 D143N102-I104 PolarHBondContact O-N 3.28Å; N102-I104 PolarHBondContact OD1-N 3.31Å; I104-H106 VanDerWaalsContact C-N 3.34Å; I104-H106 PolarHBondContact O-N 2.67Å; I104-D143 WeakPolarHBondContact CD1-O 3.37Å
105T88.8Confident92.8Very high73 Ų7322.4 Ų22.445%0.44813%0.132SC..THydrogen-bonded Turntrans-85.4-7.4-170.765.40000113.8N102 Q107N102-T105 VanDerWaalsContact CB-OG1 3.32Å; N102-T105 WeakPolarHBondContact CB-OG1 3.36Å; N102-T105 PolarHBondContact ND2-OG1 3.46Å; N102-T105 PolarHBondContact OD1-N 3.25Å; N102-T105 PolarHBondContact OD1-OG1 3.28Å; T105-Q107 PolarHBondContact O-N 3.17Å; T105-Q107 WeakPolarHBondContact OG1-CB 3.41Å; T105-Q107 PolarHBondContact OG1-N 3.31Å
106H85Confident92.7Very high63 Ų6321.8 Ų21.829%0.29213%0.127SC..  trans59.29.9-172.7-52.9-73.8000115Y101 N102 I104Y101-H106 WeakPolarHBondContact CD1-O 3.41Å; N102-H106 PolarHBondContact O-N 2.94Å; I104-H106 VanDerWaalsContact C-N 3.34Å; I104-H106 PolarHBondContact O-N 2.67Å
107Q89.5Confident92.5Very high39 Ų3921.8 Ų21.818%0.18213%0.127CC..PPolyproline II helixtrans-64.3136.8171.9-168.8-179.427.900109.9N102 T105 L118 W119 K161N102-Q107 HydrophobicContact CB-CB 4.18Å; N102-Q107 WeakPolarHBondContact CB-O 3.31Å; N102-Q107 PolarHBondContact N-O 3.24Å; T105-Q107 PolarHBondContact O-N 3.17Å; T105-Q107 WeakPolarHBondContact OG1-CB 3.41Å; T105-Q107 PolarHBondContact OG1-N 3.31Å; Q107-L118 HydrophobicContact CG-CB 4.49Å; Q107-W119 WeakPolarHBondContact CG-O 3.22Å; Q107-K161 PolarHBondContact OE1-O 3Å
108L92.3Very high92.4Very high0 Ų021.6 Ų21.60%013%0.126CC..EExtended strand (participates in β ladder)trans-92.5126.3177.4-176.861000110A69 I77 I79 V99 Y101 L118 W119A69-L108 HydrophobicContact CB-CD1 4.11Å; A69-L108 HydrophobicContact CB-CD2 3.69Å; I77-L108 HydrophobicContact CG2-CD2 4.14Å; I79-L108 HydrophobicContact CD1-CD2 3.61Å; V99-L108 HydrophobicContact CB-CD1 4.25Å; Y101-L108 HydrophobicContact CD1-CB 4.16Å; Y101-L108 HydrophobicContact CD1-CD1 4Å; Y101-L108 HydrophobicContact CD2-CD1 3.86Å; Y101-L108 HydrophobicContact CE1-CB 3.9Å; Y101-L108 HydrophobicContact CE1-CD1 3.97Å; Y101-L108 HydrophobicContact CE1-CG 4.38Å; Y101-L108 HydrophobicContact CE2-CD1 3.83Å; Y101-L108 HydrophobicContact CG-CD1 3.96Å; L108-L118 WeakPolarHBondContact O-CA 3.25Å; L108-W119 HydrophobicContact CD2-CH2 3.95Å; L108-W119 HydrophobicContact CD2-CZ2 3.61Å; L108-W119 PolarHBondContact N-O 3.11Å; L108-W119 PolarHBondContact O-N 2.84Å; L108-W119 VanDerWaalsContact O-N 3.11Å
109A94.4Very high91.9Very high0 Ų021 Ų210%012%0.122CC..EExtended strand (participates in β ladder)trans-88.6124.816200000109.2V99 A100 L118 W140 L147V99-A109 CarbonylContact C-O 3.45Å; V99-A109 VanDerWaalsContact CA-O 3.29Å; V99-A109 WeakPolarHBondContact CA-O 3.36Å; A100-A109 PolarHBondContact N-O 3.1Å; A100-A109 WeakPolarHBondContact O-CB 3.12Å; A100-A109 PolarHBondContact O-N 3.34Å; A109-L118 HydrophobicContact CB-CD2 3.6Å; A109-W140 HydrophobicContact CB-CZ2 3.93Å; A109-L147 HydrophobicContact CB-CD1 4.16Å; A109-L147 HydrophobicContact CB-CD2 3.72Å
110S93.9Very high91.2Very high0 Ų021.8 Ų21.80%013%0.128CC..EExtended strand (participates in β ladder)trans-122.4120.9178.549.90000110.1H92 F116 G117 W119H92-S110 PolarHBondContact NE2-OG 3.35Å; S110-F116 CarbonylContact O-C 3.08Å; S110-F116 WeakPolarHBondContact O-CA 3.39Å; S110-F116 WeakPolarHBondContact O-CB 3.44Å; S110-G117 PolarHBondContact N-O 2.85Å; S110-G117 PolarHBondContact O-N 3.3Å; S110-G117 PolarHBondContact OG-O 3.46Å; S110-W119 PolarHBondContact OG-NE1 3.04Å
111C95Very high89.8Confident0 Ų021.9 Ų21.90%013%0.128CC..EExtended strand (participates in β ladder)trans-119.4119.8-172.5-57.30000109.7Q97 C98 F116 I135Q97-C111 PolarHBondContact N-O 3.34Å; C98-C111 PolarHBondContact N-O 3.19Å; C98-C111 WeakPolarHBondContact O-CB 3.11Å; C98-C111 PolarHBondContact O-N 3.28Å; C98-C111 WeakPolarHBondContact SG-CB 3.43Å; C111-F116 HydrophobicContact CB-CB 4.36Å; C111-I135 HydrophobicContact CB-CB 4.13Å; C111-I135 HydrophobicContact CB-CD1 3.83Å; C111-I135 HydrophobicContact CB-CG2 3.75Å
112S94.1Very high88.7Confident0 Ų027.2 Ų27.20%015%0.153CC..EExtended strand (participates in β ladder)trans-96.1179.9171.883.40000111.2A95 G114 D115A95-S112 CarbonylContact O-C 3.34Å; A95-S112 VanDerWaalsContact O-CA 3.23Å; A95-S112 WeakPolarHBondContact O-CA 3.5Å; A95-S112 WeakPolarHBondContact O-CB 3.12Å; S112-G114 PolarHBondContact O-N 2.72Å; S112-G114 PolarHBondContact OG-N 2.88Å; S112-D115 WeakPolarHBondContact CA-O 2.86Å; S112-D115 WeakPolarHBondContact CB-OD1 3.48Å; S112-D115 PolarHBondContact N-O 3.22Å; S112-D115 VanDerWaalsContact OG-CG 3.25Å; S112-D115 PolarHBondContact OG-N 3.47Å; S112-D115 PolarHBondContact OG-O 3.37Å; S112-D115 VanDerWaalsContact OG-O 3.06Å; S112-D115 PolarHBondContact OG-OD1 2.89Å
113S91.3Very high87.7Confident20 Ų2031.3 Ų31.314%0.1417%0.172CC..SBendtrans-66.8-12175.1-54.60000114.7D94 A95 Q97 R134D94-S113 WeakPolarHBondContact OD2-CB 3.42Å; A95-S113 PolarHBondContact O-N 2.87Å; A95-S113 PolarHBondContact O-OG 3.04Å; Q97-S113 PolarHBondContact NE2-OG 3.36Å; S113-R134 WeakPolarHBondContact O-CA 3.08Å
114G90Very high86.5Confident30 Ų3039.2 Ų39.231%0.30920%0.203SC..SBendtrans-139.5-9.7-178.200000115.5S112 V131S112-G114 PolarHBondContact O-N 2.72Å; S112-G114 PolarHBondContact OG-N 2.88Å; G114-V131 WeakPolarHBondContact O-CG2 3.11Å; G114-V131 PolarHBondContact O-N 2.88Å; G114-V131 VanDerWaalsContact O-N 3.1Å
115D93.3Very high85.5Confident7 Ų738.7 Ų38.74%0.03721%0.208CC..EExtended strand (participates in β ladder)trans-146.4165.5178.960.636000111.2H92 N93 S112 K128 T129H92-D115 IonicContact CE1-OD1 2.66Å; H92-D115 IonicContact CG-OD1 2.73Å; H92-D115 IonicContact ND1-OD1 2.86Å; H92-D115 PolarHBondContact ND1-OD1 3.06Å; N93-D115 PolarHBondContact ND2-OD2 3.46Å; S112-D115 WeakPolarHBondContact CA-O 2.86Å; S112-D115 WeakPolarHBondContact CB-OD1 3.48Å; S112-D115 PolarHBondContact N-O 3.22Å; S112-D115 VanDerWaalsContact OG-CG 3.25Å; S112-D115 PolarHBondContact OG-N 3.47Å; S112-D115 PolarHBondContact OG-O 3.37Å; S112-D115 VanDerWaalsContact OG-O 3.06Å; S112-D115 PolarHBondContact OG-OD1 2.89Å; D115-K128 HydrophobicContact CB-CB 4.43Å; D115-T129 CarbonylContact C-O 3.6Å; D115-T129 WeakPolarHBondContact CA-O 3.48Å; D115-T129 WeakPolarHBondContact CB-O 3.31Å
116F94.1Very high84.9Confident1 Ų136.3 Ų36.30%0.00419%0.193CC..EExtended strand (participates in β ladder)trans-132156.9163.475.1-77.7000110.2S110 C111 L118 K128 T129 V131 I135 L149 R159S110-F116 CarbonylContact O-C 3.08Å; S110-F116 WeakPolarHBondContact O-CA 3.39Å; S110-F116 WeakPolarHBondContact O-CB 3.44Å; C111-F116 HydrophobicContact CB-CB 4.36Å; F116-L118 HydrophobicContact CD2-CD2 4.15Å; F116-L118 HydrophobicContact CD2-CG 4.22Å; F116-L118 HydrophobicContact CE2-CD1 4.34Å; F116-L118 HydrophobicContact CE2-CD2 4.28Å; F116-L118 HydrophobicContact CE2-CG 4Å; F116-K128 WeakPolarHBondContact O-CA 3.09Å; F116-T129 HydrophobicContact CE1-CG2 3.73Å; F116-T129 HydrophobicContact CZ-CG2 4.11Å; F116-T129 PolarHBondContact N-O 3.34Å; F116-T129 PolarHBondContact O-N 3.42Å; F116-V131 HydrophobicContact CD1-CG1 3.71Å; F116-V131 HydrophobicContact CE1-CG1 4.03Å; F116-I135 HydrophobicContact CB-CD1 3.85Å; F116-I135 HydrophobicContact CD1-CD1 4.49Å; F116-L149 HydrophobicContact CD1-CD1 3.79Å; F116-L149 HydrophobicContact CD2-CD1 4.44Å; F116-L149 HydrophobicContact CE1-CD1 3.97Å; F116-L149 HydrophobicContact CG-CD1 4.05Å; F116-L149 HydrophobicContact CZ-CD1 4.38Å; F116-R159 VanDerWaalsContact CE1-NH1 3.34Å
117G91.6Very high84.7Confident0 Ų039.9 Ų39.90%022%0.215CC..EExtended strand (participates in β ladder)trans-133.2138.2175.900000110.7S110S110-G117 PolarHBondContact N-O 2.85Å; S110-G117 PolarHBondContact O-N 3.3Å; S110-G117 PolarHBondContact OG-O 3.46Å
118L91.1Very high84.5Confident20 Ų2041.9 Ų41.911%0.10522%0.223CC..EExtended strand (participates in β ladder)trans-110.1123.9171.3-55.6-176.1000108.3Q107 L108 A109 F116 W140 L147 K161Q107-L118 HydrophobicContact CG-CB 4.49Å; L108-L118 WeakPolarHBondContact O-CA 3.25Å; A109-L118 HydrophobicContact CB-CD2 3.6Å; F116-L118 HydrophobicContact CD2-CD2 4.15Å; F116-L118 HydrophobicContact CD2-CG 4.22Å; F116-L118 HydrophobicContact CE2-CD1 4.34Å; F116-L118 HydrophobicContact CE2-CD2 4.28Å; F116-L118 HydrophobicContact CE2-CG 4Å; L118-W140 HydrophobicContact CD1-CH2 4.35Å; L118-W140 HydrophobicContact CD2-CH2 4.33Å; L118-W140 HydrophobicContact CD2-CZ2 3.97Å; L118-L147 HydrophobicContact CD2-CD2 3.72Å; L118-K161 VanDerWaalsContact CD1-O 3.23Å; L118-K161 WeakPolarHBondContact CD1-O 3.44Å
119W85.1Confident84.5Confident0 Ų044.7 Ų44.70%024%0.24CC..EExtended strand (participates in β ladder)trans-155153.4-175.252.4-79.1000112.8I77 I79 Y90 Q107 L108 S110 V126I77-W119 HydrophobicContact CB-CZ2 4.44Å; I77-W119 HydrophobicContact CD1-CZ2 4.16Å; I77-W119 HydrophobicContact CG2-CH2 4.5Å; I77-W119 HydrophobicContact CG2-CZ2 4.06Å; I79-W119 HydrophobicContact CD1-CH2 3.62Å; I79-W119 HydrophobicContact CD1-CZ2 4.4Å; I79-W119 HydrophobicContact CD1-CZ3 4.3Å; I79-W119 HydrophobicContact CG1-CH2 3.68Å; I79-W119 HydrophobicContact CG1-CZ3 4.09Å; Y90-W119 HydrophobicContact CD2-CE3 4.23Å; Y90-W119 AromaticContact CD2-CH2 3.13Å; Y90-W119 HydrophobicContact CD2-CH2 3.13Å; Y90-W119 AromaticContact CD2-CZ2 3.72Å; Y90-W119 HydrophobicContact CD2-CZ2 3.72Å; Y90-W119 AromaticContact CD2-CZ3 3.45Å; Y90-W119 HydrophobicContact CD2-CZ3 3.45Å; Y90-W119 VanDerWaalsContact CD2-CZ3 3.45Å; Y90-W119 AromaticContact CE2-CE3 3.87Å; Y90-W119 HydrophobicContact CE2-CE3 3.87Å; Y90-W119 AromaticContact CE2-CH2 3.37Å; Y90-W119 HydrophobicContact CE2-CH2 3.37Å; Y90-W119 HydrophobicContact CE2-CZ2 4.29Å; Y90-W119 AromaticContact CE2-CZ3 3.13Å; Y90-W119 HydrophobicContact CE2-CZ3 3.13Å; Y90-W119 AromaticContact CG-CH2 3.97Å; Y90-W119 HydrophobicContact CG-CH2 3.97Å; Y90-W119 HydrophobicContact CG-CZ2 4.12Å; Y90-W119 HydrophobicContact CG-CZ3 4.31Å; Y90-W119 AromaticContact CZ-CZ3 3.78Å; Q107-W119 WeakPolarHBondContact CG-O 3.22Å; L108-W119 HydrophobicContact CD2-CH2 3.95Å; L108-W119 HydrophobicContact CD2-CZ2 3.61Å; L108-W119 PolarHBondContact N-O 3.11Å; L108-W119 PolarHBondContact O-N 2.84Å; L108-W119 VanDerWaalsContact O-N 3.11Å; S110-W119 PolarHBondContact OG-NE1 3.04Å; W119-V126 HydrophobicContact CB-CB 4.21Å; W119-V126 HydrophobicContact CB-CG1 3.94Å; W119-V126 HydrophobicContact CB-CG2 3.62Å; W119-V126 VanDerWaalsContact CD1-CG2 3.45Å; W119-V126 HydrophobicContact CD2-CG2 3.62Å; W119-V126 HydrophobicContact CE3-CG2 4.36Å; W119-V126 HydrophobicContact CG-CB 4.08Å; W119-V126 HydrophobicContact CG-CG1 3.74Å; W119-V126 HydrophobicContact CG-CG2 3.27Å
120S81.4Confident84.3Confident30 Ų3053 Ų5321%0.2128%0.276CS..  trans-102.3151.1171.9830000109.8E122 Q123S120-E122 WeakPolarHBondContact CB-OE2 2.83Å; S120-E122 PolarHBondContact O-N 2.98Å; S120-E122 PolarHBondContact OG-OE2 3.29Å; S120-Q123 WeakPolarHBondContact O-CB 3.24Å; S120-Q123 PolarHBondContact O-N 2.8Å
121P66.9Low84.1Confident16 Ų1654.2 Ų54.210%0.10428%0.284CS..THydrogen-bonded Turntrans-60.1-17.4-177-27.639.9000114.6R67 L88 Q123R67-P121 VanDerWaalsContact NH1-CB 3.3Å; R67-P121 VanDerWaalsContact NH1-CG 3.3Å; L88-P121 HydrophobicContact CD1-CB 4Å; L88-P121 WeakPolarHBondContact CD1-O 3.47Å; P121-Q123 VanDerWaalsContact C-N 3.32Å
122E70.9Confident83.7Confident132 Ų13258.7 Ų58.762%0.61732%0.315SS*.THydrogen-bonded Turntrans-79.2-15.5178.7-5471.7-146.800112.3R67 S120R67-E122 IonicContact NH1-OE1 2.66Å; S120-E122 WeakPolarHBondContact CB-OE2 2.83Å; S120-E122 PolarHBondContact O-N 2.98Å; S120-E122 PolarHBondContact OG-OE2 3.29Å
123Q72.4Confident83.6Confident86 Ų8660.3 Ų60.340%0.40233%0.326SS..  trans-84.9128.5-178.6-66.5176.2-19.200111.6Y90 S120 P121 S125Y90-Q123 PolarHBondContact OH-O 2.69Å; S120-Q123 WeakPolarHBondContact O-CB 3.24Å; S120-Q123 PolarHBondContact O-N 2.8Å; P121-Q123 VanDerWaalsContact C-N 3.32Å; Q123-S125 VanDerWaalsContact C-N 3.32Å; Q123-S125 PolarHBondContact O-N 3.15Å
124K64.9Low83.7Confident206 Ų20663.7 Ų63.790%0.89634%0.336SS*.SBendtrans-72.7-21.9179.4-69.5-175.8178.91790113.8
125S69Low83.9Confident90 Ų9062.3 Ų62.363%0.62932%0.321SS*.SBendtrans-142.9150.817956.80000110.9Q123Q123-S125 VanDerWaalsContact C-N 3.32Å; Q123-S125 PolarHBondContact O-N 3.15Å
126V77.3Confident84Confident22 Ų2262.8 Ų62.813%0.13332%0.324CS..  trans-107.9125.7-176.5179.50000109.3Y90 W119 K128Y90-V126 HydrophobicContact CD1-CG2 3.82Å; Y90-V126 HydrophobicContact CE1-CG2 4.18Å; Y90-V126 HydrophobicContact CG-CG2 4.36Å; W119-V126 HydrophobicContact CB-CB 4.21Å; W119-V126 HydrophobicContact CB-CG1 3.94Å; W119-V126 HydrophobicContact CB-CG2 3.62Å; W119-V126 VanDerWaalsContact CD1-CG2 3.45Å; W119-V126 HydrophobicContact CD2-CG2 3.62Å; W119-V126 HydrophobicContact CE3-CG2 4.36Å; W119-V126 HydrophobicContact CG-CB 4.08Å; W119-V126 HydrophobicContact CG-CG1 3.74Å; W119-V126 HydrophobicContact CG-CG2 3.27Å; V126-K128 PolarHBondContact O-N 3.42Å
127N79.5Confident84.1Confident139 Ų13963.3 Ų63.374%0.74333%0.328SS*.  trans-72.3119170.2-78.2-22.8000109.6
128K87Confident84.3Confident81 Ų8164.1 Ų64.135%0.35233%0.334SS..EExtended strand (participates in β ladder)trans-100.1126.6-177.5-62171.6-175.71710110T91 D115 F116 V126T91-K128 VanDerWaalsContact O-CE 3.31Å; T91-K128 WeakPolarHBondContact O-CE 3.36Å; T91-K128 PolarHBondContact O-NZ 3.08Å; D115-K128 HydrophobicContact CB-CB 4.43Å; F116-K128 WeakPolarHBondContact O-CA 3.09Å; V126-K128 PolarHBondContact O-N 3.42Å
129T90.8Very high84.5Confident58 Ų5863.8 Ų63.836%0.35634%0.335SS..EExtended strand (participates in β ladder)trans-106.9122.8177.1-570000109.1D115 F116D115-T129 CarbonylContact C-O 3.6Å; D115-T129 WeakPolarHBondContact CA-O 3.48Å; D115-T129 WeakPolarHBondContact CB-O 3.31Å; F116-T129 HydrophobicContact CE1-CG2 3.73Å; F116-T129 HydrophobicContact CZ-CG2 4.11Å; F116-T129 PolarHBondContact N-O 3.34Å; F116-T129 PolarHBondContact O-N 3.42Å
130K90.7Very high84.9Confident174 Ų17464.8 Ų64.876%0.75734%0.338SS*.EExtended strand (participates in β ladder)trans-69.3145.9176.6-71.9-173.9177.9-179.40111.1
131V90.3Very high85.5Confident27 Ų2763.3 Ų63.316%0.16433%0.328CS..  trans-120.4164.6176.1-69.50000111.4G114 F116 S133 I135G114-V131 WeakPolarHBondContact O-CG2 3.11Å; G114-V131 PolarHBondContact O-N 2.88Å; G114-V131 VanDerWaalsContact O-N 3.1Å; F116-V131 HydrophobicContact CD1-CG1 3.71Å; F116-V131 HydrophobicContact CE1-CG1 4.03Å; V131-S133 VanDerWaalsContact CG2-O 3.27Å; V131-S133 WeakPolarHBondContact CG2-O 3.33Å; V131-I135 HydrophobicContact CG1-CD1 4.13Å; V131-I135 HydrophobicContact CG2-CD1 3.87Å; V131-I135 HydrophobicContact CG2-CG1 3.79Å
132S85.9Confident86.6Confident94 Ų9465.8 Ų65.866%0.65734%0.341SS*.SBendtrans-79-17.7-17456.30000114.3
133S91.6Very high87.5Confident33 Ų3362.2 Ų62.223%0.23133%0.326CS..SBendtrans-157.3171.8-179.8-168.10000110.9V131 I135 N153V131-S133 VanDerWaalsContact CG2-O 3.27Å; V131-S133 WeakPolarHBondContact CG2-O 3.33Å; S133-I135 PolarHBondContact O-N 3.49Å; S133-N153 VanDerWaalsContact CB-CG 3.44Å; S133-N153 WeakPolarHBondContact CB-ND2 3.26Å
134R93.6Very high88.4Confident92 Ų9258.1 Ų58.135%0.34731%0.307SS..  trans-60.6122.8180175.1176.8177.9-174.6-0.7111.6S113 M151 M152S113-R134 WeakPolarHBondContact O-CA 3.08Å; R134-M151 CarbonylContact O-C 3.6Å; R134-M151 VanDerWaalsContact O-CA 3.31Å; R134-M151 WeakPolarHBondContact O-CA 3.5Å; R134-M152 HydrophobicContact CB-CB 4.06Å; R134-M152 PolarHBondContact O-N 3.33Å
135I95.4Very high89.7Confident0 Ų052 Ų520%028%0.282CS..EExtended strand (participates in β ladder)trans-75.7132.2171.7-48.8174.5000108.1Q97 C111 F116 V131 S133 L149 G150Q97-I135 VanDerWaalsContact CB-O 3.22Å; Q97-I135 WeakPolarHBondContact CB-O 3.2Å; Q97-I135 VanDerWaalsContact CG-O 3.28Å; Q97-I135 WeakPolarHBondContact CG-O 3.38Å; C111-I135 HydrophobicContact CB-CB 4.13Å; C111-I135 HydrophobicContact CB-CD1 3.83Å; C111-I135 HydrophobicContact CB-CG2 3.75Å; F116-I135 HydrophobicContact CB-CD1 3.85Å; F116-I135 HydrophobicContact CD1-CD1 4.49Å; V131-I135 HydrophobicContact CG1-CD1 4.13Å; V131-I135 HydrophobicContact CG2-CD1 3.87Å; V131-I135 HydrophobicContact CG2-CG1 3.79Å; S133-I135 PolarHBondContact O-N 3.49Å; I135-L149 HydrophobicContact CD1-CD1 4.4Å; I135-L149 HydrophobicContact CG2-CD2 4.46Å; I135-G150 WeakPolarHBondContact CA-O 3.39Å
136T94.6Very high90.9Very high17 Ų1751.5 Ų51.510%0.10427%0.266CS..EExtended strand (participates in β ladder)trans-113.2-34.1-178.247.30000111.5G150 M152 I179 W180T136-G150 PolarHBondContact N-O 2.79Å; T136-G150 PolarHBondContact OG1-O 3.24Å; T136-G150 VanDerWaalsContact OG1-O 3.08Å; T136-M152 HydrophobicContact CG2-CB 4.36Å; T136-M152 HydrophobicContact CG2-SD 4.11Å; T136-I179 VanDerWaalsContact CB-O 3.29Å; T136-I179 WeakPolarHBondContact CB-O 3.43Å; T136-I179 PolarHBondContact OG1-O 3.44Å; T136-W180 HydrophobicContact CG2-CE3 4.21Å; T136-W180 HydrophobicContact CG2-CZ3 4.26Å
137C95.3Very high91.8Very high12 Ų1250.5 Ų50.58%0.08126%0.26CS..EExtended strand (participates in β ladder)trans-150.5153.5179.858.70000111.3C98 G150 W180 I182C98-C137 VanDerWaalsContact SG-CA 3.52Å; C137-G150 PolarHBondContact O-N 2.75Å; C137-W180 WeakPolarHBondContact CB-O 3.27Å; C137-I182 HydrophobicContact CB-CG1 4.32Å
138C96.3Very high92.6Very high18 Ų1843.9 Ų43.912%0.12223%0.225CC..EExtended strand (participates in β ladder)trans-141.2156.717467.40000111C98 L147 A148 L149C98-C138 PolarHBondContact SG-N 3.46Å; C98-C138 VanDerWaalsContact SG-N 3.41Å; C98-C138 PolarHBondContact SG-SG 3.01Å; C138-L147 HydrophobicContact CB-CD1 4.17Å; C138-A148 CarbonylContact C-O 3.54Å; C138-A148 VanDerWaalsContact CA-O 3.22Å; C138-A148 WeakPolarHBondContact CA-O 3.18Å; C138-L149 HydrophobicContact CB-CD2 3.64Å
139G95.2Very high93.1Very high12 Ų1240 Ų4012%0.12421%0.208CC..EExtended strand (participates in β ladder)trans-162.8136.1179.200000112.8A148 W184G139-A148 PolarHBondContact N-O 3.46Å; G139-A148 PolarHBondContact O-N 2.7Å; G139-W184 PolarHBondContact O-NE1 3.39Å; G139-W184 VanDerWaalsContact O-NE1 3.12Å
140W94.7Very high93.3Very high21 Ų2137.2 Ų37.28%0.0819%0.191CC..EExtended strand (participates in β ladder)trans-87.3146.4177.2-71.298.2000111.7A100 Y101 N102 P103 A109 L118 Y146 L147 K161A100-W140 PolarHBondContact O-NE1 3.46Å; Y101-W140 VanDerWaalsContact C-CD1 3.48Å; Y101-W140 VanDerWaalsContact O-CD1 3.27Å; N102-W140 HydrophobicContact CB-CD2 4.16Å; N102-W140 HydrophobicContact CB-CZ2 4.19Å; N102-W140 VanDerWaalsContact ND2-CZ3 3.31Å; N102-W140 WeakPolarHBondContact ND2-CZ3 2.87Å; P103-W140 HydrophobicContact CG-CB 4.48Å; A109-W140 HydrophobicContact CB-CZ2 3.93Å; L118-W140 HydrophobicContact CD1-CH2 4.35Å; L118-W140 HydrophobicContact CD2-CH2 4.33Å; L118-W140 HydrophobicContact CD2-CZ2 3.97Å; W140-Y146 WeakPolarHBondContact CA-O 3.11Å; W140-Y146 VanDerWaalsContact CE3-O 3.32Å; W140-L147 HydrophobicContact CD2-CB 4.08Å; W140-L147 HydrophobicContact CD2-CD1 3.92Å; W140-L147 HydrophobicContact CE3-CB 3.85Å; W140-L147 HydrophobicContact CG-CD1 4.08Å; W140-L147 HydrophobicContact CH2-CB 3.98Å; W140-L147 HydrophobicContact CH2-CD2 4.45Å; W140-L147 HydrophobicContact CZ2-CB 4.21Å; W140-L147 HydrophobicContact CZ2-CD1 4.34Å; W140-L147 HydrophobicContact CZ2-CD2 4.12Å; W140-L147 HydrophobicContact CZ2-CG 4.47Å; W140-L147 HydrophobicContact CZ3-CB 3.79Å; W140-K161 HydrophobicContact CH2-CB 4.38Å; W140-K161 HydrophobicContact CZ3-CB 4.13Å
141T93.9Very high93.5Very high0 Ų029.1 Ų29.10%016%0.156CC..  trans-61.4155.4161.950.10000110.4P103 D143 G144 Q145 Y146 W184 L208P103-T141 VanDerWaalsContact CG-O 3.28Å; P103-T141 WeakPolarHBondContact CG-O 3.33Å; T141-D143 WeakPolarHBondContact CB-OD1 3.41Å; T141-D143 PolarHBondContact O-N 3.25Å; T141-D143 PolarHBondContact OG1-OD1 2.6Å; T141-G144 WeakPolarHBondContact O-CA 3.49Å; T141-G144 PolarHBondContact O-N 3.41Å; T141-Q145 PolarHBondContact OG1-N 2.65Å; T141-Y146 HydrophobicContact CG2-CD2 4.43Å; T141-Y146 PolarHBondContact N-O 3.04Å; T141-Y146 PolarHBondContact OG1-N 2.67Å; T141-Y146 PolarHBondContact OG1-O 2.74Å; T141-W184 HydrophobicContact CG2-CD2 3.64Å; T141-W184 HydrophobicContact CG2-CE3 3.9Å; T141-W184 HydrophobicContact CG2-CG 4.2Å; T141-W184 HydrophobicContact CG2-CH2 4.03Å; T141-W184 HydrophobicContact CG2-CZ2 3.76Å; T141-W184 HydrophobicContact CG2-CZ3 4.08Å; T141-L208 HydrophobicContact CG2-CD2 4.02Å
142N89.9Confident93.7Very high67 Ų6730.7 Ų30.736%0.35816%0.162SC..THydrogen-bonded Turntrans-57.6-34.9180-80.9-17.5000113.8P103 G144 P186P103-N142 WeakPolarHBondContact CG-O 2.92Å; N142-G144 PolarHBondContact O-N 3.36Å; N142-P186 VanDerWaalsContact ND2-C 3.26Å; N142-P186 WeakPolarHBondContact ND2-CA 3.46Å; N142-P186 PolarHBondContact ND2-O 3.09Å
143D90.3Very high93.9Very high57 Ų5728.3 Ų28.331%0.30514%0.142SC..THydrogen-bonded Turntrans-79.3-4.217872.1-11.8000112.9I104 T141 Q145I104-D143 WeakPolarHBondContact CD1-O 3.37Å; T141-D143 WeakPolarHBondContact CB-OD1 3.41Å; T141-D143 PolarHBondContact O-N 3.25Å; T141-D143 PolarHBondContact OG1-OD1 2.6Å; D143-Q145 HydrophobicContact CB-CG 4.3Å; D143-Q145 PolarHBondContact O-N 3.29Å; D143-Q145 VanDerWaalsContact O-N 3.15Å; D143-Q145 PolarHBondContact OD1-N 2.96Å; D143-Q145 WeakPolarHBondContact OD2-CB 3.29Å; D143-Q145 WeakPolarHBondContact OD2-CG 3.43Å
144G91Very high93.9Very high1 Ų126.8 Ų26.81%0.0113%0.132CC..SBendtrans63.813-178.200000114.9N102 T141 N142N102-G144 PolarHBondContact ND2-O 2.88Å; N102-G144 WeakPolarHBondContact OD1-CA 3.33Å; T141-G144 WeakPolarHBondContact O-CA 3.49Å; T141-G144 PolarHBondContact O-N 3.41Å; N142-G144 PolarHBondContact O-N 3.36Å
145Q92.3Very high93.9Very high77 Ų7722.9 Ų22.936%0.3612%0.118SC..SBendtrans-82-30.3-179.3-62-61.1-26.500112.5T141 D143 N160 K161T141-Q145 PolarHBondContact OG1-N 2.65Å; D143-Q145 HydrophobicContact CB-CG 4.3Å; D143-Q145 PolarHBondContact O-N 3.29Å; D143-Q145 VanDerWaalsContact O-N 3.15Å; D143-Q145 PolarHBondContact OD1-N 2.96Å; D143-Q145 WeakPolarHBondContact OD2-CB 3.29Å; D143-Q145 WeakPolarHBondContact OD2-CG 3.43Å; Q145-N160 CarbonylContact O-C 3.04Å; Q145-N160 WeakPolarHBondContact O-CA 3.36Å; Q145-K161 PolarHBondContact O-N 2.84Å; Q145-K161 VanDerWaalsContact OE1-NZ 3.07Å
146Y94.3Very high93.9Very high79 Ų7922.9 Ų22.931%0.3112%0.118SC..EExtended strand (participates in β ladder)trans-126.9140.9-175.6-56.7-82.6000112.8W140 T141 I158 R159 N160 K166 L208W140-Y146 WeakPolarHBondContact CA-O 3.11Å; W140-Y146 VanDerWaalsContact CE3-O 3.32Å; T141-Y146 HydrophobicContact CG2-CD2 4.43Å; T141-Y146 PolarHBondContact N-O 3.04Å; T141-Y146 PolarHBondContact OG1-N 2.67Å; T141-Y146 PolarHBondContact OG1-O 2.74Å; Y146-I158 HydrophobicContact CD1-CG2 4.36Å; Y146-R159 CarbonylContact C-O 3.53Å; Y146-R159 WeakPolarHBondContact CA-O 3.2Å; Y146-N160 HydrophobicContact CD1-CB 4.49Å; Y146-K166 HydrophobicContact CE1-CG 4.3Å; Y146-L208 HydrophobicContact CD2-CD1 4.21Å; Y146-L208 HydrophobicContact CD2-CD2 3.7Å; Y146-L208 HydrophobicContact CE2-CD1 4.25Å; Y146-L208 HydrophobicContact CE2-CD2 4.32Å; Y146-L208 HydrophobicContact CG-CD2 3.84Å
147L95.6Very high94Very high1 Ų122.1 Ų22.11%0.00511%0.113CC..EExtended strand (participates in β ladder)trans-113.4123.7174.4176.563.4000109A109 L118 C138 W140 L149 R159A109-L147 HydrophobicContact CB-CD1 4.16Å; A109-L147 HydrophobicContact CB-CD2 3.72Å; L118-L147 HydrophobicContact CD2-CD2 3.72Å; C138-L147 HydrophobicContact CB-CD1 4.17Å; W140-L147 HydrophobicContact CD2-CB 4.08Å; W140-L147 HydrophobicContact CD2-CD1 3.92Å; W140-L147 HydrophobicContact CE3-CB 3.85Å; W140-L147 HydrophobicContact CG-CD1 4.08Å; W140-L147 HydrophobicContact CH2-CB 3.98Å; W140-L147 HydrophobicContact CH2-CD2 4.45Å; W140-L147 HydrophobicContact CZ2-CB 4.21Å; W140-L147 HydrophobicContact CZ2-CD1 4.34Å; W140-L147 HydrophobicContact CZ2-CD2 4.12Å; W140-L147 HydrophobicContact CZ2-CG 4.47Å; W140-L147 HydrophobicContact CZ3-CB 3.79Å; L147-L149 HydrophobicContact CD1-CD2 4.49Å; L147-L149 HydrophobicContact CD2-CD2 3.94Å; L147-L149 HydrophobicContact CG-CD2 4.01Å; L147-L149 HydrophobicContact CG-CG 4.44Å; L147-R159 PolarHBondContact N-O 2.57Å; L147-R159 PolarHBondContact O-N 3.32Å
148A96.6Very high94Very high0 Ų021.6 Ų21.60%011%0.11CC..EExtended strand (participates in β ladder)trans-92.5137.4169.100000110.2C138 G139 V156 S157 I182 W184 L194C138-A148 CarbonylContact C-O 3.54Å; C138-A148 VanDerWaalsContact CA-O 3.22Å; C138-A148 WeakPolarHBondContact CA-O 3.18Å; G139-A148 PolarHBondContact N-O 3.46Å; G139-A148 PolarHBondContact O-N 2.7Å; A148-V156 HydrophobicContact CB-CG1 4.46Å; A148-S157 CarbonylContact C-O 3.54Å; A148-S157 WeakPolarHBondContact CA-O 3.46Å; A148-I182 HydrophobicContact CB-CD1 3.65Å; A148-I182 WeakPolarHBondContact O-CD1 3.47Å; A148-W184 HydrophobicContact CB-CZ2 4.01Å; A148-L194 HydrophobicContact CB-CD1 4.25Å; A148-L194 HydrophobicContact CB-CD2 4.03Å
149L96.6Very high93.9Very high0 Ų022 Ų220%011%0.109CC..EExtended strand (participates in β ladder)trans-120.6119.5174.7-59.3179.4000108.8F116 I135 C138 L147 V156 S157F116-L149 HydrophobicContact CD1-CD1 3.79Å; F116-L149 HydrophobicContact CD2-CD1 4.44Å; F116-L149 HydrophobicContact CE1-CD1 3.97Å; F116-L149 HydrophobicContact CG-CD1 4.05Å; F116-L149 HydrophobicContact CZ-CD1 4.38Å; I135-L149 HydrophobicContact CD1-CD1 4.4Å; I135-L149 HydrophobicContact CG2-CD2 4.46Å; C138-L149 HydrophobicContact CB-CD2 3.64Å; L147-L149 HydrophobicContact CD1-CD2 4.49Å; L147-L149 HydrophobicContact CD2-CD2 3.94Å; L147-L149 HydrophobicContact CG-CD2 4.01Å; L147-L149 HydrophobicContact CG-CG 4.44Å; L149-V156 CarbonylContact O-C 3.47Å; L149-V156 VanDerWaalsContact O-CA 3.3Å; L149-V156 WeakPolarHBondContact O-CA 3.42Å; L149-S157 PolarHBondContact N-O 3.48Å; L149-S157 PolarHBondContact O-N 2.67Å
150G95.6Very high93.8Very high0 Ų022.4 Ų22.40%011%0.108CC..EExtended strand (participates in β ladder)trans-92.9133.9171.900000110.7I135 T136 C137I135-G150 WeakPolarHBondContact CA-O 3.39Å; T136-G150 PolarHBondContact N-O 2.79Å; T136-G150 PolarHBondContact OG1-O 3.24Å; T136-G150 VanDerWaalsContact OG1-O 3.08Å; C137-G150 PolarHBondContact O-N 2.75Å
151M94.9Very high93.5Very high4 Ų425.1 Ų25.12%0.0212%0.12CC..EExtended strand (participates in β ladder)trans-119.9154.7-176.8-68.8175.2-91.500112.9R134 N153 G154 V155 I179R134-M151 CarbonylContact O-C 3.6Å; R134-M151 VanDerWaalsContact O-CA 3.31Å; R134-M151 WeakPolarHBondContact O-CA 3.5Å; M151-N153 VanDerWaalsContact CB-OD1 3.23Å; M151-N153 WeakPolarHBondContact CB-OD1 3.49Å; M151-N153 PolarHBondContact O-N 3.26Å; M151-G154 PolarHBondContact O-N 3.23Å; M151-G154 VanDerWaalsContact O-N 3.12Å; M151-V155 WeakPolarHBondContact CB-O 3.43Å; M151-V155 HydrophobicContact CE-CB 3.86Å; M151-V155 HydrophobicContact CE-CG1 3.58Å; M151-V155 PolarHBondContact N-O 2.74Å; M151-I179 PolarHBondContact O-N 3.42Å
152M93.3Very high93.2Very high59 Ų5930.6 Ų30.629%0.29115%0.15SC..THydrogen-bonded Turntrans-62.6-24.6-179.2-166.568.2133.100113.7R134 T136 G154 P178R134-M152 HydrophobicContact CB-CB 4.06Å; R134-M152 PolarHBondContact O-N 3.33Å; T136-M152 HydrophobicContact CG2-CB 4.36Å; T136-M152 HydrophobicContact CG2-SD 4.11Å; M152-G154 PolarHBondContact O-N 3.12Å; M152-P178 HydrophobicContact CG-CB 4.21Å; M152-P178 WeakPolarHBondContact O-CA 3.38Å; M152-P178 WeakPolarHBondContact O-CB 3.36Å; M152-P178 HydrophobicContact SD-CB 3.4Å; M152-P178 WeakPolarHBondContact SD-CB 3.36Å; M152-P178 HydrophobicContact SD-CG 4.24Å
153N91.8Very high93Very high45 Ų4527.8 Ų27.824%0.24114%0.137CC..THydrogen-bonded Turntrans-83.49.417765.5-10.1000114.1S133 M151 V155 G174 S175S133-N153 VanDerWaalsContact CB-CG 3.44Å; S133-N153 WeakPolarHBondContact CB-ND2 3.26Å; M151-N153 VanDerWaalsContact CB-OD1 3.23Å; M151-N153 WeakPolarHBondContact CB-OD1 3.49Å; M151-N153 PolarHBondContact O-N 3.26Å; N153-V155 WeakPolarHBondContact OD1-CB 3.47Å; N153-V155 WeakPolarHBondContact OD1-CG2 3.2Å; N153-V155 PolarHBondContact OD1-N 2.77Å; N153-G174 CarbonylContact C-O 3.57Å; N153-G174 CarbonylContact O-C 3.56Å; N153-G174 WeakPolarHBondContact O-CA 3.43Å; N153-G174 VanDerWaalsContact O-O 3.09Å; N153-S175 PolarHBondContact O-N 2.83Å
154G91.1Very high93Very high1 Ų130 Ų301%0.0115%0.145CC..SBendtrans81.912.2179.700000114.7M151 M152 R171 S177M151-G154 PolarHBondContact O-N 3.23Å; M151-G154 VanDerWaalsContact O-N 3.12Å; M152-G154 PolarHBondContact O-N 3.12Å; G154-R171 WeakPolarHBondContact O-CB 3.5Å; G154-R171 PolarHBondContact O-N 3.25Å; G154-S177 VanDerWaalsContact CA-O 3.22Å; G154-S177 WeakPolarHBondContact CA-O 3.48Å
155V94.2Very high93.1Very high10 Ų1034.2 Ų34.26%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-96.1136.7177.6-178.80000110.5M151 N153 K168 I169 E170M151-V155 WeakPolarHBondContact CB-O 3.43Å; M151-V155 HydrophobicContact CE-CB 3.86Å; M151-V155 HydrophobicContact CE-CG1 3.58Å; M151-V155 PolarHBondContact N-O 2.74Å; N153-V155 WeakPolarHBondContact OD1-CB 3.47Å; N153-V155 WeakPolarHBondContact OD1-CG2 3.2Å; N153-V155 PolarHBondContact OD1-N 2.77Å; V155-K168 HydrophobicContact CG1-CD 4.23Å; V155-K168 HydrophobicContact CG1-CG 3.64Å; V155-I169 WeakPolarHBondContact CA-O 3.43Å; V155-E170 HydrophobicContact CG2-CG 4.29Å
156V95.3Very high93.2Very high0 Ų036.2 Ų36.20%017%0.172CC..EExtended strand (participates in β ladder)trans-108.8122.7164.7-1770000108.8A148 L149 I169 I179 L194 V196A148-V156 HydrophobicContact CB-CG1 4.46Å; L149-V156 CarbonylContact O-C 3.47Å; L149-V156 VanDerWaalsContact O-CA 3.3Å; L149-V156 WeakPolarHBondContact O-CA 3.42Å; V156-I169 HydrophobicContact CB-CB 4.2Å; V156-I169 HydrophobicContact CB-CD1 4.45Å; V156-I169 PolarHBondContact N-O 2.62Å; V156-I169 PolarHBondContact O-N 3.35Å; V156-I179 HydrophobicContact CG2-CD1 4.17Å; V156-I179 HydrophobicContact CG2-CG1 3.89Å; V156-I179 HydrophobicContact CG2-CG2 4.25Å; V156-L194 HydrophobicContact CG1-CD2 4.04Å; V156-V196 HydrophobicContact CG2-CG1 4.05Å; V156-V196 HydrophobicContact CG2-CG2 4.36Å
157S95.4Very high93.2Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-105.5118.4175.5174.40000109A148 L149 R159 E165A148-S157 CarbonylContact C-O 3.54Å; A148-S157 WeakPolarHBondContact CA-O 3.46Å; L149-S157 PolarHBondContact N-O 3.48Å; L149-S157 PolarHBondContact O-N 2.67Å; S157-R159 PolarHBondContact OG-NE 3.45Å; S157-E165 WeakPolarHBondContact CB-OE2 3.48Å; S157-E165 PolarHBondContact OG-OE2 2.81Å
158I96.1Very high93.1Very high1 Ų138.8 Ų38.81%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-97.1122.3173.4-57.7175.8000107.7Y146 K166 V167 I169 W184 L208Y146-I158 HydrophobicContact CD1-CG2 4.36Å; I158-K166 PolarHBondContact O-N 2.99Å; I158-V167 HydrophobicContact CB-CB 4.23Å; I158-V167 HydrophobicContact CD1-CB 4.47Å; I158-V167 PolarHBondContact N-O 3.46Å; I158-V167 PolarHBondContact O-N 2.76Å; I158-V167 VanDerWaalsContact O-N 3.16Å; I158-I169 HydrophobicContact CD1-CD1 4.11Å; I158-W184 HydrophobicContact CD1-CH2 4.23Å; I158-W184 HydrophobicContact CD1-CZ2 4.44Å; I158-L208 HydrophobicContact CG2-CD2 4.28Å
159R94.6Very high92.9Very high27 Ų2739.3 Ų39.310%0.10219%0.19CC..EExtended strand (participates in β ladder)trans-121.8152.8-174.5-54.2-163.2160.7-136.9-1.6110.8F116 Y146 L147 S157 G163 E164 E165F116-R159 VanDerWaalsContact CE1-NH1 3.34Å; Y146-R159 CarbonylContact C-O 3.53Å; Y146-R159 WeakPolarHBondContact CA-O 3.2Å; L147-R159 PolarHBondContact N-O 2.57Å; L147-R159 PolarHBondContact O-N 3.32Å; S157-R159 PolarHBondContact OG-NE 3.45Å; R159-G163 WeakPolarHBondContact CD-O 3.46Å; R159-G163 PolarHBondContact NH1-O 3.12Å; R159-E164 CarbonylContact C-O 3.45Å; R159-E164 WeakPolarHBondContact CA-O 3.16Å; R159-E164 WeakPolarHBondContact CB-O 3.3Å; R159-E165 HydrophobicContact CG-CB 4.49Å; R159-E165 IonicContact CZ-OE2 3.8Å; R159-E165 IonicContact NE-OE2 3Å; R159-E165 IonicContact NH2-OE2 3.62Å; R159-E165 PolarHBondContact NH2-OE2 2.8Å
160N92.8Very high92.6Very high21 Ų2145.5 Ų45.511%0.11222%0.219CC..EExtended strand (participates in β ladder)trans-75.8172.6170.567.310.1000111.3Q145 Y146 N162 G163 E164 K166Q145-N160 CarbonylContact O-C 3.04Å; Q145-N160 WeakPolarHBondContact O-CA 3.36Å; Y146-N160 HydrophobicContact CD1-CB 4.49Å; N160-N162 PolarHBondContact O-N 2.88Å; N160-N162 WeakPolarHBondContact OD1-CB 3.19Å; N160-N162 PolarHBondContact OD1-N 3.48Å; N160-N162 VanDerWaalsContact OD1-N 3.12Å; N160-G163 PolarHBondContact O-N 2.81Å; N160-G163 PolarHBondContact OD1-N 3.24Å; N160-G163 VanDerWaalsContact OD1-N 3.1Å; N160-E164 PolarHBondContact N-O 3.43Å; N160-E164 PolarHBondContact ND2-OE2 3.06Å; N160-E164 WeakPolarHBondContact OD1-CB 3.17Å; N160-E164 PolarHBondContact OD1-N 2.88Å; N160-K166 HydrophobicContact CB-CG 4.39Å
161K88.1Confident92Very high77 Ų7746.1 Ų46.134%0.33522%0.221SC..THydrogen-bonded Turntrans-57.8-15.817670.3-173.3177-160.20115.3Q107 L118 W140 Q145Q107-K161 PolarHBondContact OE1-O 3Å; L118-K161 VanDerWaalsContact CD1-O 3.23Å; L118-K161 WeakPolarHBondContact CD1-O 3.44Å; W140-K161 HydrophobicContact CH2-CB 4.38Å; W140-K161 HydrophobicContact CZ3-CB 4.13Å; Q145-K161 PolarHBondContact O-N 2.84Å; Q145-K161 VanDerWaalsContact OE1-NZ 3.07Å
162N87.6Confident90.9Very high116 Ų11650.2 Ų50.262%0.6225%0.248SC*.THydrogen-bonded Turntrans-91.4-6.9175.9-60.9-11.8000112.4N160N160-N162 PolarHBondContact O-N 2.88Å; N160-N162 WeakPolarHBondContact OD1-CB 3.19Å; N160-N162 PolarHBondContact OD1-N 3.48Å; N160-N162 VanDerWaalsContact OD1-N 3.12Å
163G85.9Confident89.8Confident8 Ų849.4 Ų49.48%0.08226%0.256CS..SBendtrans91.16.5179.400000115.1R159 N160R159-G163 WeakPolarHBondContact CD-O 3.46Å; R159-G163 PolarHBondContact NH1-O 3.12Å; N160-G163 PolarHBondContact O-N 2.81Å; N160-G163 PolarHBondContact OD1-N 3.24Å; N160-G163 VanDerWaalsContact OD1-N 3.1Å
164E90.9Very high89.2Confident104 Ų10448.8 Ų48.849%0.48626%0.259SS..  trans-77.1133.7175.2-58.1169.5176.600110.6R159 N160 K166R159-E164 CarbonylContact C-O 3.45Å; R159-E164 WeakPolarHBondContact CA-O 3.16Å; R159-E164 WeakPolarHBondContact CB-O 3.3Å; N160-E164 PolarHBondContact N-O 3.43Å; N160-E164 PolarHBondContact ND2-OE2 3.06Å; N160-E164 WeakPolarHBondContact OD1-CB 3.17Å; N160-E164 PolarHBondContact OD1-N 2.88Å; E164-K166 PolarHBondContact O-N 3.02Å; E164-K166 IonicContact OE2-NZ 2.78Å
165E92.2Very high88.5Confident89 Ų8953.2 Ų53.242%0.41629%0.29SS..EExtended strand (participates in β ladder)trans-72.8124176.7-172165.5103.400111S157 R159S157-E165 WeakPolarHBondContact CB-OE2 3.48Å; S157-E165 PolarHBondContact OG-OE2 2.81Å; R159-E165 HydrophobicContact CG-CB 4.49Å; R159-E165 IonicContact CZ-OE2 3.8Å; R159-E165 IonicContact NE-OE2 3Å; R159-E165 IonicContact NH2-OE2 3.62Å; R159-E165 PolarHBondContact NH2-OE2 2.8Å
166K93.6Very high87.8Confident118 Ų11859.8 Ų59.851%0.51332%0.324SS..EExtended strand (participates in β ladder)trans-104-44178.4-67.6-64.2-177.6-168.20111.5Y146 I158 N160 E164Y146-K166 HydrophobicContact CE1-CG 4.3Å; I158-K166 PolarHBondContact O-N 2.99Å; N160-K166 HydrophobicContact CB-CG 4.39Å; E164-K166 PolarHBondContact O-N 3.02Å; E164-K166 IonicContact OE2-NZ 2.78Å
167V94.5Very high87.5Confident35 Ų3560 Ų6021%0.21233%0.326CS..EExtended strand (participates in β ladder)trans-138.8140.1-177.6176.80000109.5I158 I169 L208I158-V167 HydrophobicContact CB-CB 4.23Å; I158-V167 HydrophobicContact CD1-CB 4.47Å; I158-V167 PolarHBondContact N-O 3.46Å; I158-V167 PolarHBondContact O-N 2.76Å; I158-V167 VanDerWaalsContact O-N 3.16Å; V167-I169 HydrophobicContact CG1-CG1 4.19Å; V167-L208 WeakPolarHBondContact CG2-O 2.98Å
168K93.8Very high87.3Confident100 Ų10060.5 Ų60.544%0.43533%0.329SS..EExtended strand (participates in β ladder)trans-122.5122.9175-174.1-177.2173.5-156.50108.8V155 E170V155-K168 HydrophobicContact CG1-CD 4.23Å; V155-K168 HydrophobicContact CG1-CG 3.64Å; K168-E170 WeakPolarHBondContact CE-OE1 3.3Å; K168-E170 HydrophobicContact CG-CG 4.46Å; K168-E170 IonicContact NZ-OE1 3.76Å; K168-E170 PolarHBondContact NZ-OE1 3.12Å
169I93Very high87.3Confident11 Ų1160.5 Ų60.56%0.05633%0.329CS..EExtended strand (participates in β ladder)trans-108.7118.6179-51.3171.3000107.2V155 V156 I158 V167 Y206V155-I169 WeakPolarHBondContact CA-O 3.43Å; V156-I169 HydrophobicContact CB-CB 4.2Å; V156-I169 HydrophobicContact CB-CD1 4.45Å; V156-I169 PolarHBondContact N-O 2.62Å; V156-I169 PolarHBondContact O-N 3.35Å; I158-I169 HydrophobicContact CD1-CD1 4.11Å; V167-I169 HydrophobicContact CG1-CG1 4.19Å; I169-Y206 HydrophobicContact CD1-CD1 4.07Å; I169-Y206 HydrophobicContact CD1-CD2 4.44Å; I169-Y206 HydrophobicContact CD1-CG 3.9Å; I169-Y206 HydrophobicContact CG2-CD1 4.05Å; I169-Y206 HydrophobicContact CG2-CE1 3.7Å; I169-Y206 HydrophobicContact CG2-CE2 4.43Å
170E89.5Confident87.3Confident130 Ų13061.6 Ų61.661%0.60733%0.333SS*.EExtended strand (participates in β ladder)trans-104.6125176.4-59.9-169.4161.200109.4V155 K168V155-E170 HydrophobicContact CG2-CG 4.29Å; K168-E170 WeakPolarHBondContact CE-OE1 3.3Å; K168-E170 HydrophobicContact CG-CG 4.46Å; K168-E170 IonicContact NZ-OE1 3.76Å; K168-E170 PolarHBondContact NZ-OE1 3.12Å
171R83.5Confident87.4Confident12 Ų1261.3 Ų61.35%0.04533%0.333CS..  trans-90.8145.3-176.4-68.7-156.462.6-175.3-19.6113.3G154 G173 G174 I179 D198 S204 E216G154-R171 WeakPolarHBondContact O-CB 3.5Å; G154-R171 PolarHBondContact O-N 3.25Å; R171-G173 PolarHBondContact O-N 3.32Å; R171-G173 VanDerWaalsContact O-N 3.12Å; R171-G174 PolarHBondContact O-N 2.87Å; R171-G174 VanDerWaalsContact O-N 3.17Å; R171-I179 HydrophobicContact CG-CD1 4.24Å; R171-D198 IonicContact CZ-OD2 3.5Å; R171-D198 IonicContact NH1-OD2 3.17Å; R171-D198 PolarHBondContact NH1-OD2 2.96Å; R171-D198 IonicContact NH2-OD1 2.76Å; R171-D198 IonicContact NH2-OD2 3.16Å; R171-D198 PolarHBondContact NH2-OD2 2.91Å; R171-S204 VanDerWaalsContact CZ-OG 3.23Å; R171-S204 PolarHBondContact NH1-OG 2.77Å; R171-S204 PolarHBondContact NH2-OG 3.23Å; R171-S204 VanDerWaalsContact NH2-OG 3.07Å; R171-E216 IonicContact CZ-OE1 2.91Å; R171-E216 IonicContact NH2-OE1 2.9Å; R171-E216 PolarHBondContact NH2-OE1 3.47Å
172P70.9Confident87.8Confident90 Ų9058.2 Ų58.258%0.58432%0.32SS*.THydrogen-bonded Turntrans-66.3111.7173.626.5-31.7000109.5
173G71.8Confident88.2Confident43 Ų4353.4 Ų53.444%0.44330%0.296SS..THydrogen-bonded Turntrans131.1-22.2-172.900000113.3R171 S175 L176R171-G173 PolarHBondContact O-N 3.32Å; R171-G173 VanDerWaalsContact O-N 3.12Å; G173-S175 PolarHBondContact O-N 3.41Å; G173-L176 WeakPolarHBondContact O-CB 3.43Å; G173-L176 PolarHBondContact O-N 3.21Å
174G78.2Confident88.6Confident31 Ų3153.8 Ų53.832%0.3230%0.295SS..G310 helixtrans52.4-126.117800000112N153 R171 L176 S177N153-G174 CarbonylContact C-O 3.57Å; N153-G174 CarbonylContact O-C 3.56Å; N153-G174 WeakPolarHBondContact O-CA 3.43Å; N153-G174 VanDerWaalsContact O-O 3.09Å; R171-G174 PolarHBondContact O-N 2.87Å; R171-G174 VanDerWaalsContact O-N 3.17Å; G174-L176 PolarHBondContact O-N 3Å; G174-S177 PolarHBondContact O-N 3.45Å; G174-S177 VanDerWaalsContact O-N 3.14Å; G174-S177 PolarHBondContact O-OG 2.69Å; G174-S177 VanDerWaalsContact O-OG 3.05Å
175S75.9Confident88.7Confident95 Ų9549.1 Ų49.166%0.66427%0.274SS*.G310 helixtrans-65.8-14.9179.455.10000115.1N153 G173 S177N153-S175 PolarHBondContact O-N 2.83Å; G173-S175 PolarHBondContact O-N 3.41Å; S175-S177 VanDerWaalsContact C-N 3.26Å
176L80.5Confident88.6Confident147 Ų14746.6 Ų46.677%0.7727%0.265SS*.G310 helixtrans-80.1-9.2175.6-62.9168.3000112.6G173 G174G173-L176 WeakPolarHBondContact O-CB 3.43Å; G173-L176 PolarHBondContact O-N 3.21Å; G174-L176 PolarHBondContact O-N 3Å
177S87.9Confident88.3Confident4 Ų441.8 Ų41.83%0.02825%0.246CC..SBendtrans-125.967.8-179.853.30000110.5G154 G174 S175 I179 D198G154-S177 VanDerWaalsContact CA-O 3.22Å; G154-S177 WeakPolarHBondContact CA-O 3.48Å; G174-S177 PolarHBondContact O-N 3.45Å; G174-S177 VanDerWaalsContact O-N 3.14Å; G174-S177 PolarHBondContact O-OG 2.69Å; G174-S177 VanDerWaalsContact O-OG 3.05Å; S175-S177 VanDerWaalsContact C-N 3.26Å; S177-I179 PolarHBondContact O-N 3.18Å; S177-D198 WeakPolarHBondContact CB-OD1 3.11Å
178P92.5Very high87.2Confident12 Ų1252.1 Ų52.18%0.07828%0.282CS..  trans-62.7129.6179.427.5-34.7000109.7M152 W180 D198 W199M152-P178 HydrophobicContact CG-CB 4.21Å; M152-P178 WeakPolarHBondContact O-CA 3.38Å; M152-P178 WeakPolarHBondContact O-CB 3.36Å; M152-P178 HydrophobicContact SD-CB 3.4Å; M152-P178 WeakPolarHBondContact SD-CB 3.36Å; M152-P178 HydrophobicContact SD-CG 4.24Å; P178-W180 PolarHBondContact O-N 2.71Å; P178-D198 WeakPolarHBondContact O-CA 3.05Å; P178-D198 WeakPolarHBondContact O-CB 3.29Å; P178-W199 HydrophobicContact CG-CB 3.73Å; P178-W199 HydrophobicContact CG-CD2 4.02Å; P178-W199 HydrophobicContact CG-CE3 3.85Å; P178-W199 HydrophobicContact CG-CG 3.98Å; P178-W199 PolarHBondContact O-N 2.88Å
179I94.9Very high85.9Confident0 Ų051.2 Ų51.20%028%0.281CS..EExtended strand (participates in β ladder)trans-68.7127.7172.7-50-52.7000106.6T136 M151 V156 R171 S177 I182 V196 D198T136-I179 VanDerWaalsContact CB-O 3.29Å; T136-I179 WeakPolarHBondContact CB-O 3.43Å; T136-I179 PolarHBondContact OG1-O 3.44Å; M151-I179 PolarHBondContact O-N 3.42Å; V156-I179 HydrophobicContact CG2-CD1 4.17Å; V156-I179 HydrophobicContact CG2-CG1 3.89Å; V156-I179 HydrophobicContact CG2-CG2 4.25Å; R171-I179 HydrophobicContact CG-CD1 4.24Å; S177-I179 PolarHBondContact O-N 3.18Å; I179-I182 HydrophobicContact CG2-CG2 3.62Å; I179-V196 HydrophobicContact CD1-CG1 3.84Å; I179-V196 HydrophobicContact CG2-CG1 3.82Å; I179-D198 HydrophobicContact CD1-CB 4Å
180W94.3Very high84.4Confident51 Ų5159.6 Ų59.619%0.19332%0.32CS..EExtended strand (participates in β ladder)trans-117.9-31.3-176.5-164-89.8000113T136 C137 P178 A197 W199 C224 W265T136-W180 HydrophobicContact CG2-CE3 4.21Å; T136-W180 HydrophobicContact CG2-CZ3 4.26Å; C137-W180 WeakPolarHBondContact CB-O 3.27Å; P178-W180 PolarHBondContact O-N 2.71Å; W180-A197 PolarHBondContact N-O 3.19Å; W180-W199 VanDerWaalsContact CB-NE1 3.35Å; W180-W199 AromaticContact CD1-NE1 3.85Å; W180-W199 AromaticContact CD2-CE2 3.48Å; W180-W199 VanDerWaalsContact CD2-CE2 3.48Å; W180-W199 HydrophobicContact CD2-CH2 4.19Å; W180-W199 AromaticContact CD2-CZ2 3.3Å; W180-W199 HydrophobicContact CD2-CZ2 3.3Å; W180-W199 AromaticContact CD2-NE1 3.54Å; W180-W199 AromaticContact CE2-CZ2 3.55Å; W180-W199 HydrophobicContact CE3-CD2 4.19Å; W180-W199 AromaticContact CE3-CE2 3.51Å; W180-W199 AromaticContact CE3-CH2 3.72Å; W180-W199 HydrophobicContact CE3-CH2 3.72Å; W180-W199 AromaticContact CE3-CZ2 3.26Å; W180-W199 HydrophobicContact CE3-CZ2 3.26Å; W180-W199 HydrophobicContact CE3-CZ3 4.34Å; W180-W199 AromaticContact CE3-NE1 3.96Å; W180-W199 AromaticContact CG-CE2 3.73Å; W180-W199 AromaticContact CG-CZ2 3.98Å; W180-W199 HydrophobicContact CG-CZ2 3.98Å; W180-W199 AromaticContact CG-NE1 3.22Å; W180-W199 AromaticContact CH2-CH2 3.75Å; W180-W199 HydrophobicContact CH2-CH2 3.75Å; W180-W199 AromaticContact CH2-CZ2 3.73Å; W180-W199 HydrophobicContact CH2-CZ2 3.73Å; W180-W199 HydrophobicContact CZ2-CH2 4.23Å; W180-W199 AromaticContact CZ2-CZ2 3.78Å; W180-W199 HydrophobicContact CZ2-CZ2 3.78Å; W180-W199 AromaticContact CZ3-CH2 3.48Å; W180-W199 HydrophobicContact CZ3-CH2 3.48Å; W180-W199 VanDerWaalsContact CZ3-CH2 3.48Å; W180-W199 AromaticContact CZ3-CZ2 3.48Å; W180-W199 HydrophobicContact CZ3-CZ2 3.48Å; W180-W199 VanDerWaalsContact CZ3-CZ2 3.48Å; W180-W199 HydrophobicContact CZ3-CZ3 4.17Å; W180-C224 PolarHBondContact NE1-O 2.89Å; W180-W265 AromaticContact CE2-CZ3 3.75Å; W180-W265 HydrophobicContact CH2-CZ3 4.47Å; W180-W265 HydrophobicContact CZ2-CE3 4.42Å; W180-W265 AromaticContact CZ2-CH2 4Å; W180-W265 HydrophobicContact CZ2-CH2 4Å; W180-W265 AromaticContact CZ2-CZ3 3.43Å; W180-W265 HydrophobicContact CZ2-CZ3 3.43Å; W180-W265 VanDerWaalsContact CZ2-CZ3 3.43Å; W180-W265 AromaticContact NE1-CZ3 3.71Å
181S95.5Very high83.8Confident15 Ų1558.3 Ų58.311%0.10531%0.314CS..EExtended strand (participates in β ladder)trans-146.2139.9176.9-163.80000110.8A197 I226S181-A197 PolarHBondContact N-O 2.92Å; S181-A197 PolarHBondContact O-N 3.06Å; S181-I226 PolarHBondContact OG-N 3.49Å
182I96.4Very high83.9Confident12 Ų1259.8 Ų59.86%0.06232%0.323CS..EExtended strand (participates in β ladder)trans-134.9146.3177.264.2-179.2000109.1C137 A148 I179 L194 A195 V196C137-I182 HydrophobicContact CB-CG1 4.32Å; A148-I182 HydrophobicContact CB-CD1 3.65Å; A148-I182 WeakPolarHBondContact O-CD1 3.47Å; I179-I182 HydrophobicContact CG2-CG2 3.62Å; I182-L194 HydrophobicContact CB-CD1 4.19Å; I182-A195 VanDerWaalsContact CA-O 3.28Å; I182-A195 WeakPolarHBondContact CA-O 3.26Å; I182-V196 HydrophobicContact CG2-CB 4.44Å; I182-V196 HydrophobicContact CG2-CG1 4.17Å; I182-V196 HydrophobicContact CG2-CG2 4.16Å
183A95.4Very high84.9Confident15 Ų1556.7 Ų56.712%0.12430%0.302CS..EExtended strand (participates in β ladder)trans-150.2135.1174.100000110.6A195 I226 Y228A183-A195 PolarHBondContact N-O 2.84Å; A183-A195 PolarHBondContact O-N 3.01Å; A183-I226 HydrophobicContact CB-CB 4.47Å; A183-I226 HydrophobicContact CB-CG2 3.79Å; A183-Y228 HydrophobicContact CB-CD2 3.77Å; A183-Y228 HydrophobicContact CB-CE2 3.95Å
184W94.6Very high86Confident15 Ų1554.6 Ų54.66%0.05728%0.281CS..EExtended strand (participates in β ladder)trans-79.2136.6170.1-69.697.6000109.7G139 T141 A148 I158 P186 D192 L194 L208 Y228G139-W184 PolarHBondContact O-NE1 3.39Å; G139-W184 VanDerWaalsContact O-NE1 3.12Å; T141-W184 HydrophobicContact CG2-CD2 3.64Å; T141-W184 HydrophobicContact CG2-CE3 3.9Å; T141-W184 HydrophobicContact CG2-CG 4.2Å; T141-W184 HydrophobicContact CG2-CH2 4.03Å; T141-W184 HydrophobicContact CG2-CZ2 3.76Å; T141-W184 HydrophobicContact CG2-CZ3 4.08Å; A148-W184 HydrophobicContact CB-CZ2 4.01Å; I158-W184 HydrophobicContact CD1-CH2 4.23Å; I158-W184 HydrophobicContact CD1-CZ2 4.44Å; W184-P186 WeakPolarHBondContact O-CD 3.16Å; W184-D192 HydrophobicContact CE3-CB 4.08Å; W184-D192 HydrophobicContact CZ3-CB 3.91Å; W184-L194 HydrophobicContact CD2-CB 4.1Å; W184-L194 HydrophobicContact CD2-CD1 3.65Å; W184-L194 HydrophobicContact CD2-CG 4.45Å; W184-L194 HydrophobicContact CE3-CB 3.8Å; W184-L194 HydrophobicContact CE3-CD1 4.24Å; W184-L194 HydrophobicContact CG-CD1 3.88Å; W184-L194 HydrophobicContact CH2-CB 3.82Å; W184-L194 HydrophobicContact CH2-CD2 4.45Å; W184-L194 HydrophobicContact CH2-CG 4.49Å; W184-L194 HydrophobicContact CZ2-CB 4.14Å; W184-L194 HydrophobicContact CZ2-CD1 4.01Å; W184-L194 HydrophobicContact CZ2-CD2 4.2Å; W184-L194 HydrophobicContact CZ2-CG 4.34Å; W184-L194 HydrophobicContact CZ3-CB 3.66Å; W184-L208 HydrophobicContact CH2-CD2 3.42Å; W184-L208 VanDerWaalsContact CH2-CD2 3.42Å; W184-L208 HydrophobicContact CH2-CG 3.93Å; W184-L208 HydrophobicContact CZ2-CD2 4.09Å; W184-L208 HydrophobicContact CZ3-CD2 3.98Å; W184-L208 HydrophobicContact CZ3-CG 4.06Å; W184-Y228 WeakPolarHBondContact O-CD2 2.99Å
185N93.7Very high86.9Confident7 Ų753.1 Ų53.14%0.03727%0.266CS..  trans-67.3122.5175-175.6-7.7000109.4S187 T193 Y228 G232N185-S187 PolarHBondContact ND2-OG 3.02Å; N185-S187 PolarHBondContact O-N 3.36Å; N185-S187 PolarHBondContact OD1-N 3.13Å; N185-S187 PolarHBondContact OD1-OG 3Å; N185-S187 VanDerWaalsContact OD1-OG 3.04Å; N185-T193 WeakPolarHBondContact CB-O 3.31Å; N185-T193 PolarHBondContact N-O 3.46Å; N185-Y228 HydrophobicContact CB-CD1 4.4Å; N185-Y228 HydrophobicContact CB-CE1 3.77Å; N185-Y228 HydrophobicContact CB-CE2 4.14Å; N185-G232 WeakPolarHBondContact OD1-CA 3.11Å; N185-G232 PolarHBondContact OD1-O 2.74Å
186P90.9Very high87.8Confident35 Ų3548.6 Ų48.623%0.22723%0.234CC..  trans-75-7.8-177.328.8-34000114.2N142 W184 Y228 F229N142-P186 VanDerWaalsContact ND2-C 3.26Å; N142-P186 WeakPolarHBondContact ND2-CA 3.46Å; N142-P186 PolarHBondContact ND2-O 3.09Å; W184-P186 WeakPolarHBondContact O-CD 3.16Å; P186-Y228 VanDerWaalsContact CD-CG 3.43Å; P186-Y228 HydrophobicContact CG-CG 4.37Å; P186-F229 WeakPolarHBondContact CG-O 3.26Å
187S86.1Confident88.5Confident18 Ų1841.6 Ų41.613%0.12620%0.198CC..SBendtrans-63.9139.7178.360.80000112.1N185 D189N185-S187 PolarHBondContact ND2-OG 3.02Å; N185-S187 PolarHBondContact O-N 3.36Å; N185-S187 PolarHBondContact OD1-N 3.13Å; N185-S187 PolarHBondContact OD1-OG 3Å; N185-S187 VanDerWaalsContact OD1-OG 3.04Å; S187-D189 PolarHBondContact O-N 3.33Å; S187-D189 PolarHBondContact OG-OD2 3.02Å
188R71.4Confident88.7Confident252 Ų25241.5 Ų41.595%0.95120%0.196SC*.  trans-79.544.3169.9-61.1-174.6178.2-165-1.5112
189D66.3Low88.8Confident80 Ų8044.4 Ų44.443%0.42821%0.206SC..  trans-68.3160.3171.2-73.6-7.5000108.2S187 H191 K249S187-D189 PolarHBondContact O-N 3.33Å; S187-D189 PolarHBondContact OG-OD2 3.02Å; D189-H191 PolarHBondContact O-N 2.98Å; D189-K249 IonicContact OD1-NZ 3.88Å; D189-K249 IonicContact OD2-NZ 3.53Å; D189-K249 PolarHBondContact OD2-NZ 3.04Å
190E61.5Low88.6Confident187 Ų18745.9 Ų45.987%0.87422%0.222SC*.SBendtrans-53.9-18.4-175.4-68.6179.516900114.8
191H78.2Confident88.5Confident103 Ų10346.8 Ų46.848%0.47723%0.228SC..SBendtrans-137.7131.7-177.5-55.478.2000112D189 T193 Q207D189-H191 PolarHBondContact O-N 2.98Å; H191-T193 PolarHBondContact O-N 3.48Å; H191-T193 PolarHBondContact O-OG1 3.48Å; H191-Q207 HydrophobicContact CB-CG 4.34Å
192D85.3Confident88.4Confident44 Ų4448.6 Ų48.624%0.23523%0.234CC..  trans-64.2121170.5-70.4-58.3000110.9W184 L208W184-D192 HydrophobicContact CE3-CB 4.08Å; W184-D192 HydrophobicContact CZ3-CB 3.91Å; D192-L208 HydrophobicContact CB-CD1 3.85Å; D192-L208 HydrophobicContact CB-CG 4.06Å; D192-L208 WeakPolarHBondContact OD2-CD1 3.18Å
193T92.6Very high88.3Confident24 Ų2448 Ų4815%0.14723%0.231CC..EExtended strand (participates in β ladder)trans-112.5123.4-179.2-57.30000110.4N185 H191 F205N185-T193 WeakPolarHBondContact CB-O 3.31Å; N185-T193 PolarHBondContact N-O 3.46Å; H191-T193 PolarHBondContact O-N 3.48Å; H191-T193 PolarHBondContact O-OG1 3.48Å; T193-F205 HydrophobicContact CG2-CB 4.03Å; T193-F205 HydrophobicContact CG2-CD1 4.09Å
194L94.8Very high88.2Confident0 Ų047.3 Ų47.30%023%0.225CC..EExtended strand (participates in β ladder)trans-96120.5174.5-177.369.1000110.4A148 V156 I182 W184 V196 F205 Y206A148-L194 HydrophobicContact CB-CD1 4.25Å; A148-L194 HydrophobicContact CB-CD2 4.03Å; V156-L194 HydrophobicContact CG1-CD2 4.04Å; I182-L194 HydrophobicContact CB-CD1 4.19Å; W184-L194 HydrophobicContact CD2-CB 4.1Å; W184-L194 HydrophobicContact CD2-CD1 3.65Å; W184-L194 HydrophobicContact CD2-CG 4.45Å; W184-L194 HydrophobicContact CE3-CB 3.8Å; W184-L194 HydrophobicContact CE3-CD1 4.24Å; W184-L194 HydrophobicContact CG-CD1 3.88Å; W184-L194 HydrophobicContact CH2-CB 3.82Å; W184-L194 HydrophobicContact CH2-CD2 4.45Å; W184-L194 HydrophobicContact CH2-CG 4.49Å; W184-L194 HydrophobicContact CZ2-CB 4.14Å; W184-L194 HydrophobicContact CZ2-CD1 4.01Å; W184-L194 HydrophobicContact CZ2-CD2 4.2Å; W184-L194 HydrophobicContact CZ2-CG 4.34Å; W184-L194 HydrophobicContact CZ3-CB 3.66Å; L194-V196 HydrophobicContact CD2-CG2 3.83Å; L194-V196 HydrophobicContact CG-CG2 3.9Å; L194-F205 CarbonylContact O-C 3.56Å; L194-F205 VanDerWaalsContact O-CA 3.3Å; L194-F205 WeakPolarHBondContact O-CA 3.19Å; L194-Y206 PolarHBondContact N-O 2.85Å; L194-Y206 PolarHBondContact O-N 3.12Å
195A95.4Very high88.1Confident0 Ų046.6 Ų46.60%022%0.222CC..EExtended strand (participates in β ladder)trans-85.8133.5167.100000110.1I182 A183 L203 F205 I226 Y228I182-A195 VanDerWaalsContact CA-O 3.28Å; I182-A195 WeakPolarHBondContact CA-O 3.26Å; A183-A195 PolarHBondContact N-O 2.84Å; A183-A195 PolarHBondContact O-N 3.01Å; A195-L203 HydrophobicContact CB-CD1 4.35Å; A195-F205 HydrophobicContact CB-CD1 4.05Å; A195-F205 HydrophobicContact CB-CE1 3.92Å; A195-I226 HydrophobicContact CB-CG2 4.44Å; A195-Y228 HydrophobicContact CB-CE2 3.99Å
196V95.3Very high88.1Confident0 Ų046.9 Ų46.90%022%0.223CC..EExtended strand (participates in β ladder)trans-127.7119.3-178-177.80000109.4V156 I179 I182 L194 L203 S204 Y206V156-V196 HydrophobicContact CG2-CG1 4.05Å; V156-V196 HydrophobicContact CG2-CG2 4.36Å; I179-V196 HydrophobicContact CD1-CG1 3.84Å; I179-V196 HydrophobicContact CG2-CG1 3.82Å; I182-V196 HydrophobicContact CG2-CB 4.44Å; I182-V196 HydrophobicContact CG2-CG1 4.17Å; I182-V196 HydrophobicContact CG2-CG2 4.16Å; L194-V196 HydrophobicContact CD2-CG2 3.83Å; L194-V196 HydrophobicContact CG-CG2 3.9Å; V196-L203 WeakPolarHBondContact O-CA 3.27Å; V196-S204 PolarHBondContact N-O 2.92Å; V196-S204 PolarHBondContact O-N 3.07Å; V196-Y206 HydrophobicContact CB-CD2 4.43Å; V196-Y206 HydrophobicContact CB-CE2 4.4Å; V196-Y206 HydrophobicContact CG2-CD2 3.85Å; V196-Y206 HydrophobicContact CG2-CE2 4.24Å
197A94.9Very high88.2Confident0 Ų047.1 Ų47.10%022%0.221CC..EExtended strand (participates in β ladder)trans-104.8134.2170.500000111.1W180 S181 P223 I226W180-A197 PolarHBondContact N-O 3.19Å; S181-A197 PolarHBondContact N-O 2.92Å; S181-A197 PolarHBondContact O-N 3.06Å; A197-P223 HydrophobicContact CB-CB 3.68Å; A197-P223 HydrophobicContact CB-CG 3.48Å; A197-P223 VanDerWaalsContact CB-CG 3.48Å; A197-I226 HydrophobicContact CB-CD1 3.25Å; A197-I226 HydrophobicContact CB-CG1 3.82Å
198D93.4Very high88.3Confident1 Ų148.5 Ų48.51%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-133.5160.1176.669.5102.1000112R171 S177 P178 I179 G200 Q201 K202 P223R171-D198 IonicContact CZ-OD2 3.5Å; R171-D198 IonicContact NH1-OD2 3.17Å; R171-D198 PolarHBondContact NH1-OD2 2.96Å; R171-D198 IonicContact NH2-OD1 2.76Å; R171-D198 IonicContact NH2-OD2 3.16Å; R171-D198 PolarHBondContact NH2-OD2 2.91Å; S177-D198 WeakPolarHBondContact CB-OD1 3.11Å; P178-D198 WeakPolarHBondContact O-CA 3.05Å; P178-D198 WeakPolarHBondContact O-CB 3.29Å; I179-D198 HydrophobicContact CD1-CB 4Å; D198-G200 PolarHBondContact O-N 2.93Å; D198-G200 WeakPolarHBondContact OD1-CA 3.04Å; D198-G200 PolarHBondContact OD1-N 3.16Å; D198-Q201 PolarHBondContact O-N 3.49Å; D198-K202 PolarHBondContact N-O 2.83Å; D198-K202 PolarHBondContact O-N 2.86Å; D198-K202 VanDerWaalsContact OD2-CB 3.25Å; D198-K202 WeakPolarHBondContact OD2-CB 2.92Å; D198-P223 VanDerWaalsContact O-CD 3.31Å; D198-P223 WeakPolarHBondContact O-CD 3.43Å; D198-P223 WeakPolarHBondContact O-CG 3.48Å
199W93.4Very high89.2Confident73 Ų7340.3 Ų40.328%0.27721%0.208SC..THydrogen-bonded Turntrans-81.25.7177.2-59.6-7.3000114.4P178 W180 Q201 D222 P223P178-W199 HydrophobicContact CG-CB 3.73Å; P178-W199 HydrophobicContact CG-CD2 4.02Å; P178-W199 HydrophobicContact CG-CE3 3.85Å; P178-W199 HydrophobicContact CG-CG 3.98Å; P178-W199 PolarHBondContact O-N 2.88Å; W180-W199 VanDerWaalsContact CB-NE1 3.35Å; W180-W199 AromaticContact CD1-NE1 3.85Å; W180-W199 AromaticContact CD2-CE2 3.48Å; W180-W199 VanDerWaalsContact CD2-CE2 3.48Å; W180-W199 HydrophobicContact CD2-CH2 4.19Å; W180-W199 AromaticContact CD2-CZ2 3.3Å; W180-W199 HydrophobicContact CD2-CZ2 3.3Å; W180-W199 AromaticContact CD2-NE1 3.54Å; W180-W199 AromaticContact CE2-CZ2 3.55Å; W180-W199 HydrophobicContact CE3-CD2 4.19Å; W180-W199 AromaticContact CE3-CE2 3.51Å; W180-W199 AromaticContact CE3-CH2 3.72Å; W180-W199 HydrophobicContact CE3-CH2 3.72Å; W180-W199 AromaticContact CE3-CZ2 3.26Å; W180-W199 HydrophobicContact CE3-CZ2 3.26Å; W180-W199 HydrophobicContact CE3-CZ3 4.34Å; W180-W199 AromaticContact CE3-NE1 3.96Å; W180-W199 AromaticContact CG-CE2 3.73Å; W180-W199 AromaticContact CG-CZ2 3.98Å; W180-W199 HydrophobicContact CG-CZ2 3.98Å; W180-W199 AromaticContact CG-NE1 3.22Å; W180-W199 AromaticContact CH2-CH2 3.75Å; W180-W199 HydrophobicContact CH2-CH2 3.75Å; W180-W199 AromaticContact CH2-CZ2 3.73Å; W180-W199 HydrophobicContact CH2-CZ2 3.73Å; W180-W199 HydrophobicContact CZ2-CH2 4.23Å; W180-W199 AromaticContact CZ2-CZ2 3.78Å; W180-W199 HydrophobicContact CZ2-CZ2 3.78Å; W180-W199 AromaticContact CZ3-CH2 3.48Å; W180-W199 HydrophobicContact CZ3-CH2 3.48Å; W180-W199 VanDerWaalsContact CZ3-CH2 3.48Å; W180-W199 AromaticContact CZ3-CZ2 3.48Å; W180-W199 HydrophobicContact CZ3-CZ2 3.48Å; W180-W199 VanDerWaalsContact CZ3-CZ2 3.48Å; W180-W199 HydrophobicContact CZ3-CZ3 4.17Å; W199-Q201 PolarHBondContact O-N 2.72Å; W199-D222 HydrophobicContact CB-CB 4.47Å; W199-D222 HydrophobicContact CG-CB 4.12Å; W199-P223 PolarHBondContact NE1-O 2.84Å; W199-P223 VanDerWaalsContact NE1-O 3.1Å
200G90.8Very high90.2Very high32 Ų3237.4 Ų37.433%0.3320%0.197SC..THydrogen-bonded Turntrans-72.411.7153.500000112.4D198D198-G200 PolarHBondContact O-N 2.93Å; D198-G200 WeakPolarHBondContact OD1-CA 3.04Å; D198-G200 PolarHBondContact OD1-N 3.16Å
201Q92.6Very high91.6Very high70 Ų7035.4 Ų35.433%0.32719%0.186SC..THydrogen-bonded Turntrans58.650.4175.7-46.3-177.4-4.600111.5D198 W199 L219 D222D198-Q201 PolarHBondContact O-N 3.49Å; W199-Q201 PolarHBondContact O-N 2.72Å; Q201-L219 HydrophobicContact CB-CB 4.28Å; Q201-L219 WeakPolarHBondContact CB-O 3.39Å; Q201-L219 PolarHBondContact O-N 2.75Å; Q201-L219 PolarHBondContact OE1-O 3.35Å; Q201-D222 PolarHBondContact NE2-OD1 3.45Å
202K92.7Very high92.2Very high53 Ų5334.4 Ų34.423%0.2318%0.181CC..EExtended strand (participates in β ladder)trans-133.6146.5-178.2-75.1164.1167.7-147.30111.2D198 E216 R217D198-K202 PolarHBondContact N-O 2.83Å; D198-K202 PolarHBondContact O-N 2.86Å; D198-K202 VanDerWaalsContact OD2-CB 3.25Å; D198-K202 WeakPolarHBondContact OD2-CB 2.92Å; K202-E216 HydrophobicContact CB-CG 4.13Å; K202-E216 HydrophobicContact CD-CG 4.3Å; K202-E216 WeakPolarHBondContact CD-OE2 3.18Å; K202-E216 VanDerWaalsContact CE-OE2 3.28Å; K202-E216 WeakPolarHBondContact CE-OE2 3.3Å; K202-E216 HydrophobicContact CG-CG 4.12Å; K202-E216 IonicContact NZ-OE1 3.63Å; K202-E216 IonicContact NZ-OE2 2.76Å; K202-E216 PolarHBondContact NZ-OE2 2.69Å; K202-R217 CarbonylContact C-O 3.58Å; K202-R217 VanDerWaalsContact CA-O 3.32Å; K202-R217 WeakPolarHBondContact CA-O 3.3Å
203L94.3Very high92.3Very high0 Ų035.5 Ų35.50%019%0.19CC..EExtended strand (participates in β ladder)trans-118.7120.3168.9172.668.9000108.6A195 V196 F205 R217 L219 I226 M237A195-L203 HydrophobicContact CB-CD1 4.35Å; V196-L203 WeakPolarHBondContact O-CA 3.27Å; L203-F205 HydrophobicContact CD1-CZ 4.33Å; L203-F205 HydrophobicContact CD2-CE2 4.09Å; L203-F205 HydrophobicContact CD2-CZ 3.82Å; L203-F205 HydrophobicContact CG-CE2 3.92Å; L203-F205 HydrophobicContact CG-CZ 3.94Å; L203-R217 HydrophobicContact CB-CB 4.24Å; L203-R217 PolarHBondContact N-O 3.32Å; L203-R217 PolarHBondContact O-N 3.37Å; L203-L219 HydrophobicContact CB-CD1 4.25Å; L203-L219 HydrophobicContact CB-CD2 4.34Å; L203-L219 HydrophobicContact CB-CG 4.39Å; L203-I226 HydrophobicContact CD1-CD1 3.58Å; L203-M237 HydrophobicContact CB-CE 4.27Å; L203-M237 HydrophobicContact CD1-CE 3.89Å; L203-M237 HydrophobicContact CD2-CE 3.84Å; L203-M237 HydrophobicContact CG-CE 4.22Å
204S93.4Very high91.9Very high0 Ų036.7 Ų36.70%020%0.195CC..EExtended strand (participates in β ladder)trans-130.4155.2-173.2-43.90000110.3R171 V196 E216R171-S204 VanDerWaalsContact CZ-OG 3.23Å; R171-S204 PolarHBondContact NH1-OG 2.77Å; R171-S204 PolarHBondContact NH2-OG 3.23Å; R171-S204 VanDerWaalsContact NH2-OG 3.07Å; V196-S204 PolarHBondContact N-O 2.92Å; V196-S204 PolarHBondContact O-N 3.07Å; S204-E216 WeakPolarHBondContact OG-CG 3.46Å; S204-E216 PolarHBondContact OG-OE1 2.8Å
205F93.9Very high91.5Very high0 Ų044.6 Ų44.60%023%0.229CC..EExtended strand (participates in β ladder)trans-130.3125.4-174.3-59.5-94.1000111.2T193 L194 A195 L203 Q212 V213 L214 I235 K249T193-F205 HydrophobicContact CG2-CB 4.03Å; T193-F205 HydrophobicContact CG2-CD1 4.09Å; L194-F205 CarbonylContact O-C 3.56Å; L194-F205 VanDerWaalsContact O-CA 3.3Å; L194-F205 WeakPolarHBondContact O-CA 3.19Å; A195-F205 HydrophobicContact CB-CD1 4.05Å; A195-F205 HydrophobicContact CB-CE1 3.92Å; L203-F205 HydrophobicContact CD1-CZ 4.33Å; L203-F205 HydrophobicContact CD2-CE2 4.09Å; L203-F205 HydrophobicContact CD2-CZ 3.82Å; L203-F205 HydrophobicContact CG-CE2 3.92Å; L203-F205 HydrophobicContact CG-CZ 3.94Å; F205-Q212 WeakPolarHBondContact O-CA 3.18Å; F205-Q212 WeakPolarHBondContact O-CG 3.48Å; F205-V213 PolarHBondContact O-N 2.81Å; F205-L214 HydrophobicContact CB-CB 3.91Å; F205-L214 HydrophobicContact CB-CD1 3.91Å; F205-L214 HydrophobicContact CB-CG 4.08Å; F205-L214 HydrophobicContact CD1-CD1 3.9Å; F205-L214 HydrophobicContact CD2-CB 3.69Å; F205-L214 HydrophobicContact CD2-CD1 3.69Å; F205-L214 HydrophobicContact CD2-CG 4.26Å; F205-L214 HydrophobicContact CE1-CD1 4.3Å; F205-L214 HydrophobicContact CE2-CB 4.5Å; F205-L214 HydrophobicContact CE2-CD1 4.11Å; F205-L214 HydrophobicContact CG-CB 4.02Å; F205-L214 HydrophobicContact CG-CD1 3.56Å; F205-L214 HydrophobicContact CG-CG 4.2Å; F205-L214 HydrophobicContact CZ-CD1 4.39Å; F205-I235 HydrophobicContact CE1-CD1 3.74Å; F205-I235 HydrophobicContact CZ-CD1 4.03Å; F205-K249 WeakPolarHBondContact CE1-O 3.46Å
206Y92.9Very high91.2Very high12 Ų1246.8 Ų46.85%0.04724%0.239CC..EExtended strand (participates in β ladder)trans-126.4148-174.4-63.8-86.9000111.8I169 L194 V196 G210 K211 Q212I169-Y206 HydrophobicContact CD1-CD1 4.07Å; I169-Y206 HydrophobicContact CD1-CD2 4.44Å; I169-Y206 HydrophobicContact CD1-CG 3.9Å; I169-Y206 HydrophobicContact CG2-CD1 4.05Å; I169-Y206 HydrophobicContact CG2-CE1 3.7Å; I169-Y206 HydrophobicContact CG2-CE2 4.43Å; L194-Y206 PolarHBondContact N-O 2.85Å; L194-Y206 PolarHBondContact O-N 3.12Å; V196-Y206 HydrophobicContact CB-CD2 4.43Å; V196-Y206 HydrophobicContact CB-CE2 4.4Å; V196-Y206 HydrophobicContact CG2-CD2 3.85Å; V196-Y206 HydrophobicContact CG2-CE2 4.24Å; Y206-G210 WeakPolarHBondContact CD1-O 3.25Å; Y206-K211 WeakPolarHBondContact CA-O 3.32Å; Y206-Q212 HydrophobicContact CD1-CB 3.98Å; Y206-Q212 HydrophobicContact CE1-CB 3.76Å; Y206-Q212 HydrophobicContact CE1-CG 4.26Å
207Q92.4Very high91Very high41 Ų4150.4 Ų50.419%0.19225%0.253CS..EExtended strand (participates in β ladder)trans-82.4168.2165.7-89.3164.71.200111.4H191 S209 G210 K211 V213H191-Q207 HydrophobicContact CB-CG 4.34Å; Q207-S209 PolarHBondContact O-N 3.4Å; Q207-S209 VanDerWaalsContact O-N 3.15Å; Q207-G210 PolarHBondContact O-N 2.67Å; Q207-K211 PolarHBondContact N-O 3.36Å; Q207-V213 HydrophobicContact CB-CG2 4.21Å; Q207-V213 VanDerWaalsContact CD-CG2 3.47Å; Q207-V213 HydrophobicContact CG-CG2 3.46Å; Q207-V213 VanDerWaalsContact CG-CG2 3.46Å
208L89.9Confident90.8Very high47 Ų4755.5 Ų55.525%0.24628%0.284CS..THydrogen-bonded Turntrans-52.8-31.1171-79166.7000113.7T141 Y146 I158 V167 W184 D192 G210T141-L208 HydrophobicContact CG2-CD2 4.02Å; Y146-L208 HydrophobicContact CD2-CD1 4.21Å; Y146-L208 HydrophobicContact CD2-CD2 3.7Å; Y146-L208 HydrophobicContact CE2-CD1 4.25Å; Y146-L208 HydrophobicContact CE2-CD2 4.32Å; Y146-L208 HydrophobicContact CG-CD2 3.84Å; I158-L208 HydrophobicContact CG2-CD2 4.28Å; V167-L208 WeakPolarHBondContact CG2-O 2.98Å; W184-L208 HydrophobicContact CH2-CD2 3.42Å; W184-L208 VanDerWaalsContact CH2-CD2 3.42Å; W184-L208 HydrophobicContact CH2-CG 3.93Å; W184-L208 HydrophobicContact CZ2-CD2 4.09Å; W184-L208 HydrophobicContact CZ3-CD2 3.98Å; W184-L208 HydrophobicContact CZ3-CG 4.06Å; D192-L208 HydrophobicContact CB-CD1 3.85Å; D192-L208 HydrophobicContact CB-CG 4.06Å; D192-L208 WeakPolarHBondContact OD2-CD1 3.18Å; L208-G210 PolarHBondContact O-N 2.86Å
209S89.4Confident90.6Very high79 Ų7955.8 Ų55.855%0.55229%0.286SS*.THydrogen-bonded Turntrans-69.7-9.5175.9610000114.2Q207 K211Q207-S209 PolarHBondContact O-N 3.4Å; Q207-S209 VanDerWaalsContact O-N 3.15Å; S209-K211 VanDerWaalsContact C-N 3.29Å; S209-K211 PolarHBondContact OG-N 3.26Å
210G87.1Confident90.5Very high20 Ų2059.3 Ų59.321%0.20631%0.31CS..SBendtrans84.3-1.2-173.300000114.1Y206 Q207 L208Y206-G210 WeakPolarHBondContact CD1-O 3.25Å; Q207-G210 PolarHBondContact O-N 2.67Å; L208-G210 PolarHBondContact O-N 2.86Å
211K90.4Very high90.7Very high144 Ų14458.6 Ų58.663%0.62630%0.297SS*.  trans-73.7132.4175.8-173.2179177.8-1780110.8Y206 Q207 S209Y206-K211 WeakPolarHBondContact CA-O 3.32Å; Q207-K211 PolarHBondContact N-O 3.36Å; S209-K211 VanDerWaalsContact C-N 3.29Å; S209-K211 PolarHBondContact OG-N 3.26Å
212Q90.6Very high90.8Very high82 Ų8257 Ų5738%0.38329%0.291SS..BIsolated β-bridgetrans-72.4129.3172.1-172.3178.2-24.600110.5F205 Y206 L214F205-Q212 WeakPolarHBondContact O-CA 3.18Å; F205-Q212 WeakPolarHBondContact O-CG 3.48Å; Y206-Q212 HydrophobicContact CD1-CB 3.98Å; Y206-Q212 HydrophobicContact CE1-CB 3.76Å; Y206-Q212 HydrophobicContact CE1-CG 4.26Å; Q212-L214 PolarHBondContact NE2-O 2.68Å
213V87.6Confident90.9Very high68 Ų6854.5 Ų54.541%0.41228%0.28SS..  trans-100.6-47-176.4-177.80000112.2F205 Q207F205-V213 PolarHBondContact O-N 2.81Å; Q207-V213 HydrophobicContact CB-CG2 4.21Å; Q207-V213 VanDerWaalsContact CD-CG2 3.47Å; Q207-V213 HydrophobicContact CG-CG2 3.46Å; Q207-V213 VanDerWaalsContact CG-CG2 3.46Å
214L85.1Confident90.9Very high48 Ų4854.8 Ų54.825%0.25128%0.282SS..SBendtrans-105.3155.8-174.5-59.7173000111.5F205 Q212 E216 D250F205-L214 HydrophobicContact CB-CB 3.91Å; F205-L214 HydrophobicContact CB-CD1 3.91Å; F205-L214 HydrophobicContact CB-CG 4.08Å; F205-L214 HydrophobicContact CD1-CD1 3.9Å; F205-L214 HydrophobicContact CD2-CB 3.69Å; F205-L214 HydrophobicContact CD2-CD1 3.69Å; F205-L214 HydrophobicContact CD2-CG 4.26Å; F205-L214 HydrophobicContact CE1-CD1 4.3Å; F205-L214 HydrophobicContact CE2-CB 4.5Å; F205-L214 HydrophobicContact CE2-CD1 4.11Å; F205-L214 HydrophobicContact CG-CB 4.02Å; F205-L214 HydrophobicContact CG-CD1 3.56Å; F205-L214 HydrophobicContact CG-CG 4.2Å; F205-L214 HydrophobicContact CZ-CD1 4.39Å; Q212-L214 PolarHBondContact NE2-O 2.68Å; L214-E216 PolarHBondContact O-N 3.17Å; L214-D250 HydrophobicContact CD1-CB 4.44Å
215K85.8Confident91Very high167 Ų16755.1 Ų55.173%0.72629%0.285SS*.  trans-60.7125.4173.5-174.2176179.7176.30109.6
216E88.4Confident91.1Very high45 Ų4555.7 Ų55.721%0.2129%0.288CS..  trans-56.6138.6175-177.2168.2-110.200110.7R171 K202 S204 L214R171-E216 IonicContact CZ-OE1 2.91Å; R171-E216 IonicContact NH2-OE1 2.9Å; R171-E216 PolarHBondContact NH2-OE1 3.47Å; K202-E216 HydrophobicContact CB-CG 4.13Å; K202-E216 HydrophobicContact CD-CG 4.3Å; K202-E216 WeakPolarHBondContact CD-OE2 3.18Å; K202-E216 VanDerWaalsContact CE-OE2 3.28Å; K202-E216 WeakPolarHBondContact CE-OE2 3.3Å; K202-E216 HydrophobicContact CG-CG 4.12Å; K202-E216 IonicContact NZ-OE1 3.63Å; K202-E216 IonicContact NZ-OE2 2.76Å; K202-E216 PolarHBondContact NZ-OE2 2.69Å; S204-E216 WeakPolarHBondContact OG-CG 3.46Å; S204-E216 PolarHBondContact OG-OE1 2.8Å; L214-E216 PolarHBondContact O-N 3.17Å
217R91.1Very high91.2Very high76 Ų7655.8 Ų55.829%0.28729%0.29SS..EExtended strand (participates in β ladder)trans-111.1124.5-178.4-55.5-64.7-174.1173.70.4109.4K202 L203 D250 G251K202-R217 CarbonylContact C-O 3.58Å; K202-R217 VanDerWaalsContact CA-O 3.32Å; K202-R217 WeakPolarHBondContact CA-O 3.3Å; L203-R217 HydrophobicContact CB-CB 4.24Å; L203-R217 PolarHBondContact N-O 3.32Å; L203-R217 PolarHBondContact O-N 3.37Å; R217-D250 PolarHBondContact NH2-O 3.13Å; R217-G251 WeakPolarHBondContact CG-O 3.28Å
218T91.3Very high91.3Very high108 Ų10854.6 Ų54.666%0.66328%0.284SS*.EExtended strand (participates in β ladder)trans-77124.8171.5-49.50000109.4
219L89.7Confident91.5Very high6 Ų652.5 Ų52.53%0.03127%0.273CS..  trans-92.5148.9168.1-52.4174.2000106.6Q201 L203 Y221 P223 M237 Y247Q201-L219 HydrophobicContact CB-CB 4.28Å; Q201-L219 WeakPolarHBondContact CB-O 3.39Å; Q201-L219 PolarHBondContact O-N 2.75Å; Q201-L219 PolarHBondContact OE1-O 3.35Å; L203-L219 HydrophobicContact CB-CD1 4.25Å; L203-L219 HydrophobicContact CB-CD2 4.34Å; L203-L219 HydrophobicContact CB-CG 4.39Å; L219-Y221 VanDerWaalsContact C-N 3.29Å; L219-Y221 HydrophobicContact CB-CD1 4.38Å; L219-Y221 HydrophobicContact CB-CE1 4.31Å; L219-Y221 HydrophobicContact CD2-CE1 4.47Å; L219-P223 HydrophobicContact CD1-CB 3.92Å; L219-P223 HydrophobicContact CD1-CG 3.73Å; L219-M237 HydrophobicContact CD1-CE 4.07Å; L219-M237 HydrophobicContact CD1-SD 3.65Å; L219-M237 HydrophobicContact CD2-CE 4.37Å; L219-M237 HydrophobicContact CD2-SD 4.12Å; L219-Y247 HydrophobicContact CD2-CE1 4.37Å
220N91.3Very high91.5Very high148 Ų14851 Ų5179%0.79126%0.262SS*.SBendtrans-101.225.3176.1-65.1-20.9000110.9
221Y94.2Very high91.7Very high16 Ų1657.4 Ų57.46%0.06328%0.284CS..SBendtrans-161.1166.1-173.966.8-90.6000109.6L219 P223 M237 D241 Y247L219-Y221 VanDerWaalsContact C-N 3.29Å; L219-Y221 HydrophobicContact CB-CD1 4.38Å; L219-Y221 HydrophobicContact CB-CE1 4.31Å; L219-Y221 HydrophobicContact CD2-CE1 4.47Å; Y221-P223 HydrophobicContact CE2-CB 4.48Å; Y221-P223 WeakPolarHBondContact O-CD 3.18Å; Y221-M237 HydrophobicContact CE2-SD 4.08Å; Y221-M237 PolarHBondContact OH-SD 3.22Å; Y221-D241 HydrophobicContact CD1-CB 4.1Å; Y221-D241 WeakPolarHBondContact CD1-OD2 3.37Å; Y221-D241 HydrophobicContact CD2-CB 4.34Å; Y221-D241 HydrophobicContact CG-CB 3.81Å; Y221-Y247 PolarHBondContact OH-OH 2.8Å
222D94.8Very high91.7Very high37 Ų3750.6 Ų50.620%0.19826%0.255CS..  trans-89.3114.5-179.3-45.2-49.1000108.6W199 Q201 G239 S240W199-D222 HydrophobicContact CB-CB 4.47Å; W199-D222 HydrophobicContact CG-CB 4.12Å; Q201-D222 PolarHBondContact NE2-OD1 3.45Å; D222-G239 VanDerWaalsContact O-CA 3.24Å; D222-G239 WeakPolarHBondContact O-CA 3.41Å; D222-S240 WeakPolarHBondContact CB-OG 3.43Å; D222-S240 PolarHBondContact N-OG 2.88Å; D222-S240 PolarHBondContact O-N 3.06Å; D222-S240 PolarHBondContact OD2-OG 3.28Å
223P95.4Very high91.6Very high0 Ų049.5 Ų49.50%025%0.25CC..EExtended strand (participates in β ladder)trans-72.1133.2179.429.6-35.9000111A197 D198 W199 L219 Y221 M237A197-P223 HydrophobicContact CB-CB 3.68Å; A197-P223 HydrophobicContact CB-CG 3.48Å; A197-P223 VanDerWaalsContact CB-CG 3.48Å; D198-P223 VanDerWaalsContact O-CD 3.31Å; D198-P223 WeakPolarHBondContact O-CD 3.43Å; D198-P223 WeakPolarHBondContact O-CG 3.48Å; W199-P223 PolarHBondContact NE1-O 2.84Å; W199-P223 VanDerWaalsContact NE1-O 3.1Å; L219-P223 HydrophobicContact CD1-CB 3.92Å; L219-P223 HydrophobicContact CD1-CG 3.73Å; Y221-P223 HydrophobicContact CE2-CB 4.48Å; Y221-P223 WeakPolarHBondContact O-CD 3.18Å; P223-M237 HydrophobicContact CB-CG 4.19Å; P223-M237 HydrophobicContact CB-SD 3.75Å
224C94.8Very high91.9Very high6 Ų647.5 Ų47.54%0.04124%0.235CC..EExtended strand (participates in β ladder)trans-104.7-29.8178.6-63.90000112.9W180 G238 V264 W265W180-C224 PolarHBondContact NE1-O 2.89Å; C224-G238 PolarHBondContact N-O 2.8Å; C224-V264 WeakPolarHBondContact CB-O 3.34Å; C224-W265 HydrophobicContact CB-CE3 4.04Å; C224-W265 HydrophobicContact CB-CZ3 4.45Å
225C94.9Very high92.4Very high8 Ų845.2 Ų45.25%0.05422%0.223CC..EExtended strand (participates in β ladder)trans-146.2146.8-179.859.80000111.7M237 G238 T266 C267C225-M237 VanDerWaalsContact O-CA 3.3Å; C225-M237 WeakPolarHBondContact O-CA 3.12Å; C225-M237 WeakPolarHBondContact O-CG 3.21Å; C225-G238 PolarHBondContact N-O 3.46Å; C225-G238 PolarHBondContact O-N 3.25Å; C225-G238 PolarHBondContact SG-N 2.79Å; C225-T266 VanDerWaalsContact SG-C 3.52Å; C225-C267 HydrophobicContact CB-CB 4.4Å; C225-C267 WeakPolarHBondContact CB-SG 3.1Å; C225-C267 WeakPolarHBondContact SG-CB 3.41Å; C225-C267 PolarHBondContact SG-N 3.15Å; C225-C267 CovalentContact SG-SG 2.07Å; C225-C267 PolarHBondContact SG-SG 3.42Å
226I96Very high92.9Very high12 Ų1237.2 Ų37.26%0.06219%0.188CC..EExtended strand (participates in β ladder)trans-128.5133.6166.5-66.8-173.8000107.9S181 A183 A195 A197 L203 I235 V236 M237S181-I226 PolarHBondContact OG-N 3.49Å; A183-I226 HydrophobicContact CB-CB 4.47Å; A183-I226 HydrophobicContact CB-CG2 3.79Å; A195-I226 HydrophobicContact CB-CG2 4.44Å; A197-I226 HydrophobicContact CB-CD1 3.25Å; A197-I226 HydrophobicContact CB-CG1 3.82Å; L203-I226 HydrophobicContact CD1-CD1 3.58Å; I226-I235 HydrophobicContact CG2-CG2 3.71Å; I226-V236 WeakPolarHBondContact CA-O 3.48Å; I226-M237 HydrophobicContact CD1-CE 3.96Å; I226-M237 HydrophobicContact CG1-CE 3.99Å; I226-M237 HydrophobicContact CG1-CG 4.29Å
227S95Very high93.2Very high13 Ų1335.1 Ų35.19%0.09118%0.178CC..EExtended strand (participates in β ladder)trans-142.8140.8171-173.10000110.5I235 V236 C267 Q268S227-I235 WeakPolarHBondContact O-CA 3.21Å; S227-V236 PolarHBondContact N-O 3.08Å; S227-V236 PolarHBondContact O-N 2.84Å; S227-C267 VanDerWaalsContact CB-O 3.29Å; S227-C267 WeakPolarHBondContact CB-O 3.3Å; S227-Q268 PolarHBondContact OG-OE1 2.89Å
228Y95Very high93.5Very high17 Ų1731.5 Ų31.57%0.06717%0.165CC..EExtended strand (participates in β ladder)trans-90.7150.1176.2-84-89.6000111.5A183 W184 N185 P186 A195 I235A183-Y228 HydrophobicContact CB-CD2 3.77Å; A183-Y228 HydrophobicContact CB-CE2 3.95Å; W184-Y228 WeakPolarHBondContact O-CD2 2.99Å; N185-Y228 HydrophobicContact CB-CD1 4.4Å; N185-Y228 HydrophobicContact CB-CE1 3.77Å; N185-Y228 HydrophobicContact CB-CE2 4.14Å; P186-Y228 VanDerWaalsContact CD-CG 3.43Å; P186-Y228 HydrophobicContact CG-CG 4.37Å; A195-Y228 HydrophobicContact CB-CE2 3.99Å; Y228-I235 HydrophobicContact CD1-CD1 4.46Å; Y228-I235 HydrophobicContact CD1-CG1 3.59Å; Y228-I235 HydrophobicContact CD2-CG1 4.5Å; Y228-I235 HydrophobicContact CE1-CD1 3.65Å; Y228-I235 HydrophobicContact CE1-CG1 3.26Å; Y228-I235 HydrophobicContact CE2-CD1 4.41Å; Y228-I235 HydrophobicContact CE2-CG1 4.22Å; Y228-I235 HydrophobicContact CG-CG1 4.21Å
229F94Very high93.7Very high2 Ų226.3 Ų26.31%0.00913%0.133CC..  trans-64.8153.3161.1-86.1-108.7000110.8P186 K231 G232 Y234 V236 L246 V269 V276 L290P186-F229 WeakPolarHBondContact CG-O 3.26Å; F229-K231 PolarHBondContact O-N 3.48Å; F229-G232 PolarHBondContact O-N 2.64Å; F229-Y234 HydrophobicContact CG-CD2 4.44Å; F229-Y234 PolarHBondContact N-O 2.82Å; F229-V236 HydrophobicContact CD2-CG2 4.09Å; F229-V236 HydrophobicContact CE2-CG2 3.41Å; F229-V236 VanDerWaalsContact CE2-CG2 3.41Å; F229-V236 HydrophobicContact CZ-CG2 4.34Å; F229-L246 HydrophobicContact CD2-CD1 4.37Å; F229-L246 HydrophobicContact CE2-CD1 3.62Å; F229-L246 HydrophobicContact CZ-CD1 4.31Å; F229-V269 HydrophobicContact CD1-CG1 3.88Å; F229-V269 HydrophobicContact CD2-CG1 4.34Å; F229-V269 HydrophobicContact CD2-CG2 3.87Å; F229-V269 HydrophobicContact CE1-CG1 3.95Å; F229-V269 HydrophobicContact CE2-CG1 4.42Å; F229-V269 HydrophobicContact CE2-CG2 3.92Å; F229-V269 HydrophobicContact CG-CG1 4.07Å; F229-V269 HydrophobicContact CG-CG2 4.34Å; F229-V269 HydrophobicContact CZ-CG1 4.18Å; F229-V269 HydrophobicContact CZ-CG2 4.39Å; F229-V276 HydrophobicContact CE2-CG2 4.28Å; F229-V276 HydrophobicContact CZ-CG2 3.84Å; F229-L290 HydrophobicContact CE2-CD1 4.39Å; F229-L290 HydrophobicContact CZ-CD1 3.67Å
230S90Very high94Very high47 Ų4727 Ų2733%0.32914%0.138SC..THydrogen-bonded Turntrans-59-24.9-172-53.70000114.9N272S230-N272 PolarHBondContact OG-N 3.24Å
231K89.8Confident94.1Very high156 Ų15622.1 Ų22.168%0.67811%0.112SC*.THydrogen-bonded Turntrans-94.4-5.4176.2-66.2178.7174.6-174.20114F229 E233F229-K231 PolarHBondContact O-N 3.48Å; K231-E233 VanDerWaalsContact C-N 3.3Å; K231-E233 WeakPolarHBondContact CB-OE2 3.38Å; K231-E233 WeakPolarHBondContact CD-OE2 3.21Å; K231-E233 PolarHBondContact O-N 3.16Å
232G90.4Very high94.2Very high1 Ų125.6 Ų25.61%0.0113%0.128CC..SBendtrans80.16.7179.300000115.1N185 F229 K249N185-G232 WeakPolarHBondContact OD1-CA 3.11Å; N185-G232 PolarHBondContact OD1-O 2.74Å; F229-G232 PolarHBondContact O-N 2.64Å; G232-K249 WeakPolarHBondContact O-CB 3.14Å
233E89.7Confident94.2Very high59 Ų5925.6 Ų25.628%0.27613%0.126SC..SBendtrans-76.6-25.6-175.568.5-116.214500113.9K231 K249K231-E233 VanDerWaalsContact C-N 3.3Å; K231-E233 WeakPolarHBondContact CB-OE2 3.38Å; K231-E233 WeakPolarHBondContact CD-OE2 3.21Å; K231-E233 PolarHBondContact O-N 3.16Å; E233-K249 PolarHBondContact O-N 2.74Å; E233-K249 VanDerWaalsContact O-N 3.16Å
234Y93.1Very high94.2Very high25 Ų2525.6 Ų25.610%0.09813%0.126CC..EExtended strand (participates in β ladder)trans-139.1155.9-177.7-53-62.6000112.3F229 L246 Y247 L254 F292 M309F229-Y234 HydrophobicContact CG-CD2 4.44Å; F229-Y234 PolarHBondContact N-O 2.82Å; Y234-L246 HydrophobicContact CG-CD1 4.4Å; Y234-Y247 CarbonylContact C-O 3.39Å; Y234-Y247 VanDerWaalsContact CA-O 3.32Å; Y234-Y247 WeakPolarHBondContact CA-O 3.35Å; Y234-Y247 WeakPolarHBondContact CB-O 3.49Å; Y234-L254 HydrophobicContact CD1-CD1 3.78Å; Y234-L254 HydrophobicContact CE1-CD1 3.83Å; Y234-F292 HydrophobicContact CD2-CE1 4.34Å; Y234-F292 HydrophobicContact CD2-CZ 4.02Å; Y234-F292 AromaticContact CE2-CE1 3.84Å; Y234-F292 HydrophobicContact CE2-CE1 3.84Å; Y234-F292 HydrophobicContact CE2-CE2 4.47Å; Y234-F292 AromaticContact CE2-CZ 3.8Å; Y234-F292 HydrophobicContact CE2-CZ 3.8Å; Y234-M309 HydrophobicContact CE1-CG 3.79Å; Y234-M309 VanDerWaalsContact OH-CG 3.32Å; Y234-M309 WeakPolarHBondContact OH-CG 3.29Å
235I95Very high94.3Very high0 Ų025.3 Ų25.30%012%0.124CC..EExtended strand (participates in β ladder)trans-117.9136.3175.6-61.8166000108.7F205 I226 S227 Y228 Y247F205-I235 HydrophobicContact CE1-CD1 3.74Å; F205-I235 HydrophobicContact CZ-CD1 4.03Å; I226-I235 HydrophobicContact CG2-CG2 3.71Å; S227-I235 WeakPolarHBondContact O-CA 3.21Å; Y228-I235 HydrophobicContact CD1-CD1 4.46Å; Y228-I235 HydrophobicContact CD1-CG1 3.59Å; Y228-I235 HydrophobicContact CD2-CG1 4.5Å; Y228-I235 HydrophobicContact CE1-CD1 3.65Å; Y228-I235 HydrophobicContact CE1-CG1 3.26Å; Y228-I235 HydrophobicContact CE2-CD1 4.41Å; Y228-I235 HydrophobicContact CE2-CG1 4.22Å; Y228-I235 HydrophobicContact CG-CG1 4.21Å; I235-Y247 PolarHBondContact N-O 3.05Å; I235-Y247 PolarHBondContact O-N 2.62Å
236V96.3Very high94.3Very high0 Ų024.9 Ų24.90%012%0.122CC..EExtended strand (participates in β ladder)trans-104.3137.7167.5-176.90000108.7I226 S227 F229 V244 L246 I257 C267 V269 V276I226-V236 WeakPolarHBondContact CA-O 3.48Å; S227-V236 PolarHBondContact N-O 3.08Å; S227-V236 PolarHBondContact O-N 2.84Å; F229-V236 HydrophobicContact CD2-CG2 4.09Å; F229-V236 HydrophobicContact CE2-CG2 3.41Å; F229-V236 VanDerWaalsContact CE2-CG2 3.41Å; F229-V236 HydrophobicContact CZ-CG2 4.34Å; V236-V244 HydrophobicContact CG1-CG1 3.36Å; V236-L246 HydrophobicContact CG2-CD1 4.06Å; V236-I257 HydrophobicContact CG1-CD1 4.12Å; V236-I257 HydrophobicContact CG2-CD1 4.22Å; V236-C267 HydrophobicContact CG1-CB 4.12Å; V236-V269 HydrophobicContact CG2-CG2 3.86Å; V236-V276 HydrophobicContact CG1-CG1 3.81Å; V236-V276 HydrophobicContact CG2-CG1 4.25Å; V236-V276 HydrophobicContact CG2-CG2 4Å
237M96.5Very high94.2Very high0 Ų024.7 Ų24.70%012%0.12CC..EExtended strand (participates in β ladder)trans-136.3136.2176.4-170-171.7-66.400110.6L203 L219 Y221 P223 C225 I226 V244 S245 Y247L203-M237 HydrophobicContact CB-CE 4.27Å; L203-M237 HydrophobicContact CD1-CE 3.89Å; L203-M237 HydrophobicContact CD2-CE 3.84Å; L203-M237 HydrophobicContact CG-CE 4.22Å; L219-M237 HydrophobicContact CD1-CE 4.07Å; L219-M237 HydrophobicContact CD1-SD 3.65Å; L219-M237 HydrophobicContact CD2-CE 4.37Å; L219-M237 HydrophobicContact CD2-SD 4.12Å; Y221-M237 HydrophobicContact CE2-SD 4.08Å; Y221-M237 PolarHBondContact OH-SD 3.22Å; P223-M237 HydrophobicContact CB-CG 4.19Å; P223-M237 HydrophobicContact CB-SD 3.75Å; C225-M237 VanDerWaalsContact O-CA 3.3Å; C225-M237 WeakPolarHBondContact O-CA 3.12Å; C225-M237 WeakPolarHBondContact O-CG 3.21Å; I226-M237 HydrophobicContact CD1-CE 3.96Å; I226-M237 HydrophobicContact CG1-CE 3.99Å; I226-M237 HydrophobicContact CG1-CG 4.29Å; M237-V244 CarbonylContact O-C 3.57Å; M237-V244 WeakPolarHBondContact O-CA 3.33Å; M237-S245 PolarHBondContact N-O 2.55Å; M237-S245 PolarHBondContact O-N 2.84Å; M237-Y247 HydrophobicContact CB-CD2 4.18Å; M237-Y247 HydrophobicContact CB-CE2 3.85Å; M237-Y247 HydrophobicContact CE-CE2 4.47Å; M237-Y247 HydrophobicContact SD-CE2 4.33Å
238G95.9Very high94Very high0 Ų024.4 Ų24.40%012%0.118CC..EExtended strand (participates in β ladder)trans-116.9155.1169.200000110.7C224 C225 Q243 C267C224-G238 PolarHBondContact N-O 2.8Å; C225-G238 PolarHBondContact N-O 3.46Å; C225-G238 PolarHBondContact O-N 3.25Å; C225-G238 PolarHBondContact SG-N 2.79Å; G238-Q243 WeakPolarHBondContact CA-O 3.31Å; G238-C267 PolarHBondContact N-SG 3.32Å
239G95.8Very high93.7Very high0 Ų027 Ų270%013%0.13CC..EExtended strand (participates in β ladder)trans-164.1-163.7-178.700000116.2D222 D241 K242 V264D222-G239 VanDerWaalsContact O-CA 3.24Å; D222-G239 WeakPolarHBondContact O-CA 3.41Å; G239-D241 PolarHBondContact O-N 3.07Å; G239-K242 PolarHBondContact O-N 3.45Å; G239-V264 PolarHBondContact O-N 2.92Å
240S95.6Very high93.4Very high20 Ų2030.1 Ų30.114%0.1415%0.146CC..THydrogen-bonded Turntrans-70.7-15-178.563.60000114.4D222 K242 W263D222-S240 WeakPolarHBondContact CB-OG 3.43Å; D222-S240 PolarHBondContact N-OG 2.88Å; D222-S240 PolarHBondContact O-N 3.06Å; D222-S240 PolarHBondContact OD2-OG 3.28Å; S240-K242 PolarHBondContact O-N 2.84Å; S240-W263 VanDerWaalsContact CB-CZ2 3.4Å; S240-W263 VanDerWaalsContact O-CD1 3.32Å; S240-W263 PolarHBondContact O-NE1 3.32Å
241D95.1Very high93.4Very high46 Ų4628 Ų2825%0.24613%0.132CC..THydrogen-bonded Turntrans-69.9-2.6170.767.6-13.3000113.6Y221 G239 Q243Y221-D241 HydrophobicContact CD1-CB 4.1Å; Y221-D241 WeakPolarHBondContact CD1-OD2 3.37Å; Y221-D241 HydrophobicContact CD2-CB 4.34Å; Y221-D241 HydrophobicContact CG-CB 3.81Å; G239-D241 PolarHBondContact O-N 3.07Å; D241-Q243 HydrophobicContact CB-CG 4.36Å; D241-Q243 WeakPolarHBondContact O-CG 3.36Å; D241-Q243 PolarHBondContact O-N 3.23Å; D241-Q243 PolarHBondContact OD1-N 2.56Å; D241-Q243 WeakPolarHBondContact OD2-CB 3.03Å
242K95.6Very high93.4Very high89 Ų8921.2 Ų21.239%0.38710%0.103SC..SBendtrans6422.1-178.6-43.8172.4176.9-1670112.3G239 S240 H260 K261 A262G239-K242 PolarHBondContact O-N 3.45Å; S240-K242 PolarHBondContact O-N 2.84Å; K242-H260 VanDerWaalsContact CB-O 3.28Å; K242-H260 WeakPolarHBondContact CB-O 3.47Å; K242-H260 WeakPolarHBondContact O-CB 3.28Å; K242-H260 PolarHBondContact O-CD2 3.41Å; K242-H260 PolarHBondContact O-N 2.86Å; K242-K261 WeakPolarHBondContact CD-O 3.07Å; K242-K261 WeakPolarHBondContact CE-O 3.28Å; K242-K261 PolarHBondContact NZ-O 3.27Å; K242-A262 WeakPolarHBondContact CA-O 3.32Å; K242-A262 VanDerWaalsContact CB-O 3.31Å; K242-A262 WeakPolarHBondContact CB-O 3.34Å
243Q95Very high93.4Very high36 Ų3627 Ų2717%0.16813%0.125CC..EExtended strand (participates in β ladder)trans-115.5155.2179.3-50.8-157.3-12.100111G238 D241 T256 G258 E259G238-Q243 WeakPolarHBondContact CA-O 3.31Å; D241-Q243 HydrophobicContact CB-CG 4.36Å; D241-Q243 WeakPolarHBondContact O-CG 3.36Å; D241-Q243 PolarHBondContact O-N 3.23Å; D241-Q243 PolarHBondContact OD1-N 2.56Å; D241-Q243 WeakPolarHBondContact OD2-CB 3.03Å; Q243-T256 HydrophobicContact CB-CG2 4.03Å; Q243-T256 HydrophobicContact CG-CG2 4.37Å; Q243-T256 PolarHBondContact OE1-OG1 2.89Å; Q243-G258 WeakPolarHBondContact CA-O 3.4Å; Q243-E259 HydrophobicContact CG-CG 4.19Å; Q243-E259 PolarHBondContact NE2-OE1 3.31Å
244V95.8Very high93.5Very high0 Ų024.7 Ų24.70%012%0.115CC..EExtended strand (participates in β ladder)trans-107.2121.6159.1-174.50000107.2V236 M237 T256 I257 G258 V264 V276 C278V236-V244 HydrophobicContact CG1-CG1 3.36Å; M237-V244 CarbonylContact O-C 3.57Å; M237-V244 WeakPolarHBondContact O-CA 3.33Å; V244-T256 CarbonylContact O-C 3.59Å; V244-I257 HydrophobicContact CB-CB 4.21Å; V244-I257 HydrophobicContact CG1-CB 4.19Å; V244-I257 HydrophobicContact CG1-CD1 4.01Å; V244-I257 HydrophobicContact CG1-CG1 4.5Å; V244-I257 WeakPolarHBondContact O-CA 3.16Å; V244-I257 WeakPolarHBondContact O-CB 3.37Å; V244-I257 PolarHBondContact O-N 3.1Å; V244-G258 PolarHBondContact N-O 2.86Å; V244-G258 PolarHBondContact O-N 2.85Å; V244-V264 HydrophobicContact CG2-CB 4.39Å; V244-V264 HydrophobicContact CG2-CG1 3.9Å; V244-V264 HydrophobicContact CG2-CG2 3.92Å; V244-V276 HydrophobicContact CG1-CG1 4.4Å; V244-C278 HydrophobicContact CG2-CB 3.69Å
245S95.1Very high93.3Very high0 Ų024.5 Ų24.50%012%0.12CC..EExtended strand (participates in β ladder)trans-116.9145.9-178.2-74.90000111.6M237 R253M237-S245 PolarHBondContact N-O 2.55Å; M237-S245 PolarHBondContact O-N 2.84Å; S245-R253 PolarHBondContact OG-NE 3.47Å; S245-R253 PolarHBondContact OG-NH2 2.89Å
246L94.9Very high93.2Very high0 Ų026.3 Ų26.30%013%0.132CC..EExtended strand (participates in β ladder)trans-98.7136.6173.9-170.673.3000110.2M1 F229 Y234 V236 L254 G255 I257 L290 F292M1-L246 HydrophobicContact CE-CB 3.87Å; M1-L246 HydrophobicContact CE-CD2 3.7Å; M1-L246 HydrophobicContact CE-CG 4.4Å; M1-L246 HydrophobicContact CG-CD2 4.16Å; F229-L246 HydrophobicContact CD2-CD1 4.37Å; F229-L246 HydrophobicContact CE2-CD1 3.62Å; F229-L246 HydrophobicContact CZ-CD1 4.31Å; Y234-L246 HydrophobicContact CG-CD1 4.4Å; V236-L246 HydrophobicContact CG2-CD1 4.06Å; L246-L254 HydrophobicContact CB-CB 4.46Å; L246-L254 HydrophobicContact CD2-CB 4.39Å; L246-L254 HydrophobicContact CD2-CD1 3.8Å; L246-L254 HydrophobicContact CG-CD1 4.13Å; L246-L254 PolarHBondContact O-N 3.28Å; L246-G255 PolarHBondContact N-O 2.88Å; L246-G255 PolarHBondContact O-N 3.42Å; L246-I257 HydrophobicContact CB-CD1 4.15Å; L246-I257 HydrophobicContact CB-CG1 4.17Å; L246-I257 HydrophobicContact CD1-CD1 4.39Å; L246-L290 HydrophobicContact CD1-CD1 4.18Å; L246-L290 HydrophobicContact CD2-CD1 4.28Å; L246-F292 HydrophobicContact CD2-CE1 4.04Å; L246-F292 HydrophobicContact CD2-CZ 4.36Å
247Y93.8Very high93.1Very high8 Ų826.6 Ų26.63%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-127.4154.2177.3-63.6-102.8000110.2L219 Y221 Y234 I235 M237 V252 R253L219-Y247 HydrophobicContact CD2-CE1 4.37Å; Y221-Y247 PolarHBondContact OH-OH 2.8Å; Y234-Y247 CarbonylContact C-O 3.39Å; Y234-Y247 VanDerWaalsContact CA-O 3.32Å; Y234-Y247 WeakPolarHBondContact CA-O 3.35Å; Y234-Y247 WeakPolarHBondContact CB-O 3.49Å; I235-Y247 PolarHBondContact N-O 3.05Å; I235-Y247 PolarHBondContact O-N 2.62Å; M237-Y247 HydrophobicContact CB-CD2 4.18Å; M237-Y247 HydrophobicContact CB-CE2 3.85Å; M237-Y247 HydrophobicContact CE-CE2 4.47Å; M237-Y247 HydrophobicContact SD-CE2 4.33Å; Y247-V252 CarbonylContact C-O 3.51Å; Y247-V252 VanDerWaalsContact CA-O 3.24Å; Y247-V252 WeakPolarHBondContact CA-O 3.46Å; Y247-R253 VanDerWaalsContact CD1-CA 3.47Å; Y247-R253 HydrophobicContact CD1-CB 3.78Å; Y247-R253 HydrophobicContact CD1-CG 4.27Å; Y247-R253 HydrophobicContact CE1-CB 3.49Å; Y247-R253 VanDerWaalsContact CE1-CB 3.49Å; Y247-R253 HydrophobicContact CE1-CG 3.78Å
248T92.2Very high93Very high6 Ų627 Ų274%0.03714%0.137CC..EExtended strand (participates in β ladder)trans-71.2165.9166.664.90000110.8D250 G251 V252 L254 T310T248-D250 PolarHBondContact O-N 2.82Å; T248-D250 VanDerWaalsContact O-N 3.1Å; T248-D250 PolarHBondContact OG1-N 2.79Å; T248-G251 PolarHBondContact O-N 3.37Å; T248-V252 HydrophobicContact CG2-CB 4.19Å; T248-V252 PolarHBondContact N-O 3.5Å; T248-V252 WeakPolarHBondContact OG1-CB 3.39Å; T248-V252 PolarHBondContact OG1-N 3.49Å; T248-V252 VanDerWaalsContact OG1-N 3.1Å; T248-L254 HydrophobicContact CG2-CD1 3.97Å; T248-L254 HydrophobicContact CG2-CD2 3.68Å; T248-L254 HydrophobicContact CG2-CG 3.87Å; T248-T310 HydrophobicContact CG2-CG2 3.67Å
249K88.8Confident92.8Very high73 Ų7333.6 Ų33.632%0.31717%0.168SC..THydrogen-bonded Turntrans-54.7-24.4169.374.5176.6-170.2170.40114.1D189 F205 G232 E233 G251D189-K249 IonicContact OD1-NZ 3.88Å; D189-K249 IonicContact OD2-NZ 3.53Å; D189-K249 PolarHBondContact OD2-NZ 3.04Å; F205-K249 WeakPolarHBondContact CE1-O 3.46Å; G232-K249 WeakPolarHBondContact O-CB 3.14Å; E233-K249 PolarHBondContact O-N 2.74Å; E233-K249 VanDerWaalsContact O-N 3.16Å; K249-G251 VanDerWaalsContact C-N 3.31Å; K249-G251 PolarHBondContact O-N 3.49Å
250D87.3Confident92.7Very high67 Ų6734.5 Ų34.536%0.35817%0.172SC..THydrogen-bonded Turntrans-87.96.4177.6-53.5-37.1000114L214 R217 T248 V252L214-D250 HydrophobicContact CD1-CB 4.44Å; R217-D250 PolarHBondContact NH2-O 3.13Å; T248-D250 PolarHBondContact O-N 2.82Å; T248-D250 VanDerWaalsContact O-N 3.1Å; T248-D250 PolarHBondContact OG1-N 2.79Å; D250-V252 PolarHBondContact O-N 3.14Å
251G88.8Confident92.5Very high3 Ų341.4 Ų41.43%0.03120%0.2CC..  trans75.317-179.200000115.1R217 T248 K249R217-G251 WeakPolarHBondContact CG-O 3.28Å; T248-G251 PolarHBondContact O-N 3.37Å; K249-G251 VanDerWaalsContact C-N 3.31Å; K249-G251 PolarHBondContact O-N 3.49Å
252V90.8Very high92.4Very high12 Ų1240 Ų407%0.07319%0.194CC..  trans-80.8123.6174.2178.10000109.3Y247 T248 D250 L254 T310 H328Y247-V252 CarbonylContact C-O 3.51Å; Y247-V252 VanDerWaalsContact CA-O 3.24Å; Y247-V252 WeakPolarHBondContact CA-O 3.46Å; T248-V252 HydrophobicContact CG2-CB 4.19Å; T248-V252 PolarHBondContact N-O 3.5Å; T248-V252 WeakPolarHBondContact OG1-CB 3.39Å; T248-V252 PolarHBondContact OG1-N 3.49Å; T248-V252 VanDerWaalsContact OG1-N 3.1Å; D250-V252 PolarHBondContact O-N 3.14Å; V252-L254 PolarHBondContact O-N 2.97Å; V252-T310 HydrophobicContact CG1-CG2 4.17Å; V252-H328 WeakPolarHBondContact CG1-O 3.44Å
253R90.6Very high92.5Very high122 Ų12239.7 Ų39.746%0.4619%0.19SC..EExtended strand (participates in β ladder)trans-67122177-169.3173.6175.2-121.93.3110.8S245 Y247 T256S245-R253 PolarHBondContact OG-NE 3.47Å; S245-R253 PolarHBondContact OG-NH2 2.89Å; Y247-R253 VanDerWaalsContact CD1-CA 3.47Å; Y247-R253 HydrophobicContact CD1-CB 3.78Å; Y247-R253 HydrophobicContact CD1-CG 4.27Å; Y247-R253 HydrophobicContact CE1-CB 3.49Å; Y247-R253 VanDerWaalsContact CE1-CB 3.49Å; Y247-R253 HydrophobicContact CE1-CG 3.78Å; R253-T256 PolarHBondContact NH2-OG1 3.38Å
254L90.9Very high92.5Very high11 Ų1138 Ų386%0.05818%0.182CC..EExtended strand (participates in β ladder)trans-91.4-35.9177.9-65.5178.8000112.2Y234 L246 T248 V252 M309 T310 L330Y234-L254 HydrophobicContact CD1-CD1 3.78Å; Y234-L254 HydrophobicContact CE1-CD1 3.83Å; L246-L254 HydrophobicContact CB-CB 4.46Å; L246-L254 HydrophobicContact CD2-CB 4.39Å; L246-L254 HydrophobicContact CD2-CD1 3.8Å; L246-L254 HydrophobicContact CG-CD1 4.13Å; L246-L254 PolarHBondContact O-N 3.28Å; T248-L254 HydrophobicContact CG2-CD1 3.97Å; T248-L254 HydrophobicContact CG2-CD2 3.68Å; T248-L254 HydrophobicContact CG2-CG 3.87Å; V252-L254 PolarHBondContact O-N 2.97Å; L254-M309 HydrophobicContact CD1-CB 3.96Å; L254-M309 HydrophobicContact CD1-CG 4.09Å; L254-M309 HydrophobicContact CD2-CB 3.76Å; L254-T310 HydrophobicContact CD2-CG2 3.61Å; L254-L330 HydrophobicContact CD2-CB 4.26Å; L254-L330 HydrophobicContact CD2-CD1 4.32Å; L254-L330 VanDerWaalsContact O-CD2 3.27Å; L254-L330 WeakPolarHBondContact O-CD2 3.46Å
255G89.4Confident92.4Very high21 Ų2140 Ų4022%0.21619%0.19CC..EExtended strand (participates in β ladder)trans155.5175.6177.600000113.5L246L246-G255 PolarHBondContact N-O 2.88Å; L246-G255 PolarHBondContact O-N 3.42Å
256T93.1Very high92.5Very high39 Ų3940.2 Ų40.224%0.23919%0.191CC..EExtended strand (participates in β ladder)trans-82.1131.9179.7-53.80000111Q243 V244 R253 G258 E259Q243-T256 HydrophobicContact CB-CG2 4.03Å; Q243-T256 HydrophobicContact CG-CG2 4.37Å; Q243-T256 PolarHBondContact OE1-OG1 2.89Å; V244-T256 CarbonylContact O-C 3.59Å; R253-T256 PolarHBondContact NH2-OG1 3.38Å; T256-G258 WeakPolarHBondContact CG2-O 3.4Å; T256-E259 HydrophobicContact CG2-CG 3.8Å
257I94.9Very high92.5Very high6 Ų640.2 Ų40.23%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-81.5-45.1172.3-62.1179.3000110.1M1 P3 V236 V244 L246 V276 Y288 L290M1-I257 HydrophobicContact CE-CG1 3.67Å; P3-I257 HydrophobicContact CB-CG2 4.12Å; P3-I257 WeakPolarHBondContact CB-O 3.36Å; P3-I257 VanDerWaalsContact CG-O 3.26Å; P3-I257 WeakPolarHBondContact CG-O 3.3Å; V236-I257 HydrophobicContact CG1-CD1 4.12Å; V236-I257 HydrophobicContact CG2-CD1 4.22Å; V244-I257 HydrophobicContact CB-CB 4.21Å; V244-I257 HydrophobicContact CG1-CB 4.19Å; V244-I257 HydrophobicContact CG1-CD1 4.01Å; V244-I257 HydrophobicContact CG1-CG1 4.5Å; V244-I257 WeakPolarHBondContact O-CA 3.16Å; V244-I257 WeakPolarHBondContact O-CB 3.37Å; V244-I257 PolarHBondContact O-N 3.1Å; L246-I257 HydrophobicContact CB-CD1 4.15Å; L246-I257 HydrophobicContact CB-CG1 4.17Å; L246-I257 HydrophobicContact CD1-CD1 4.39Å; I257-V276 HydrophobicContact CD1-CG1 4.37Å; I257-V276 HydrophobicContact CD1-CG2 4.24Å; I257-Y288 HydrophobicContact CG2-CD1 4.28Å; I257-Y288 HydrophobicContact CG2-CD2 3.7Å; I257-Y288 HydrophobicContact CG2-CE2 4.36Å; I257-Y288 HydrophobicContact CG2-CG 3.63Å; I257-L290 HydrophobicContact CB-CD2 4.47Å; I257-L290 HydrophobicContact CD1-CD1 3.94Å; I257-L290 HydrophobicContact CD1-CD2 4.22Å; I257-L290 HydrophobicContact CG1-CD1 4.42Å; I257-L290 HydrophobicContact CG1-CD2 4.04Å; I257-L290 HydrophobicContact CG2-CD2 3.85Å
258G92.5Very high92.6Very high8 Ų842.4 Ų42.48%0.08220%0.202CC..EExtended strand (participates in β ladder)trans-158.4149.6-179.300000112.4Q243 V244 T256Q243-G258 WeakPolarHBondContact CA-O 3.4Å; V244-G258 PolarHBondContact N-O 2.86Å; V244-G258 PolarHBondContact O-N 2.85Å; T256-G258 WeakPolarHBondContact CG2-O 3.4Å
259E93.6Very high92.7Very high138 Ų13842.6 Ų42.665%0.64520%0.203SC*.EExtended strand (participates in β ladder)trans-114.9136174.9-63.4-172.1168.300109.7Q243 T256Q243-E259 HydrophobicContact CG-CG 4.19Å; Q243-E259 PolarHBondContact NE2-OE1 3.31Å; T256-E259 HydrophobicContact CG2-CG 3.8Å
260H93.4Very high93Very high19 Ų1941.2 Ų41.29%0.08820%0.197CC..  trans-129.4167.4-167.9-54.7-77.3000112.4K242 Y286 Y288K242-H260 VanDerWaalsContact CB-O 3.28Å; K242-H260 WeakPolarHBondContact CB-O 3.47Å; K242-H260 WeakPolarHBondContact O-CB 3.28Å; K242-H260 PolarHBondContact O-CD2 3.41Å; K242-H260 PolarHBondContact O-N 2.86Å; H260-Y286 AromaticContact CE1-CD2 3.23Å; H260-Y286 WeakPolarHBondContact CE1-CD2 3.41Å; H260-Y286 AromaticContact CE1-CE2 3.63Å; H260-Y286 AromaticContact CE1-CG 3.47Å; H260-Y286 VanDerWaalsContact CE1-CG 3.47Å; H260-Y286 AromaticContact ND1-CD2 3.23Å; H260-Y286 WeakPolarHBondContact ND1-CD2 3.35Å; H260-Y286 AromaticContact ND1-CE2 3.09Å; H260-Y286 WeakPolarHBondContact ND1-CE2 3.03Å; H260-Y286 AromaticContact ND1-CG 3.81Å; H260-Y286 AromaticContact ND1-CZ 3.59Å; H260-Y288 AromaticContact CE1-CE2 3.78Å; H260-Y288 AromaticContact CE1-CZ 3.88Å; H260-Y288 PolarHBondContact CE1-OH 3.44Å; H260-Y288 AromaticContact NE2-CE2 3.98Å
261K90.6Very high93.3Very high166 Ų16639.5 Ų39.572%0.72219%0.189SC*.SBendtrans-79.7-28.4-178.4-65.9-175.7179.2-177.70113.1K242K242-K261 WeakPolarHBondContact CD-O 3.07Å; K242-K261 WeakPolarHBondContact CE-O 3.28Å; K242-K261 PolarHBondContact NZ-O 3.27Å
262A94.2Very high93.3Very high15 Ų1546.5 Ų46.512%0.12423%0.226CC..SBendtrans-127.9172.3-176.200000111.2K242 Q281 D282K242-A262 WeakPolarHBondContact CA-O 3.32Å; K242-A262 VanDerWaalsContact CB-O 3.31Å; K242-A262 WeakPolarHBondContact CB-O 3.34Å; A262-Q281 HydrophobicContact CB-CB 4.17Å; A262-D282 HydrophobicContact CB-CB 3.83Å
263W95.9Very high93.4Very high83 Ų8347.1 Ų47.131%0.31423%0.231SC..  trans-60144.6177.6-69.211000111.1S240 W265 C280 Q281S240-W263 VanDerWaalsContact CB-CZ2 3.4Å; S240-W263 VanDerWaalsContact O-CD1 3.32Å; S240-W263 PolarHBondContact O-NE1 3.32Å; W263-W265 HydrophobicContact CE3-CZ2 4.36Å; W263-C280 CarbonylContact O-C 3.53Å; W263-C280 WeakPolarHBondContact O-CA 3.49Å; W263-Q281 HydrophobicContact CB-CB 4.31Å; W263-Q281 PolarHBondContact O-N 2.78Å
264V96.4Very high93.4Very high0 Ų044.4 Ų44.40%023%0.226CC..EExtended strand (participates in β ladder)trans-93107.3173.3-177.60000108.1C224 G239 V244 C278C224-V264 WeakPolarHBondContact CB-O 3.34Å; G239-V264 PolarHBondContact O-N 2.92Å; V244-V264 HydrophobicContact CG2-CB 4.39Å; V244-V264 HydrophobicContact CG2-CG1 3.9Å; V244-V264 HydrophobicContact CG2-CG2 3.92Å; V264-C278 HydrophobicContact CG1-CB 3.78Å
265W94.2Very high93.6Very high44 Ų4447.3 Ų47.317%0.16724%0.236CC..EExtended strand (participates in β ladder)trans-77.1-38.8-178-87.9115.6000112.9V15 W180 C224 W263 G279V15-W265 WeakPolarHBondContact O-CB 3.47Å; W180-W265 AromaticContact CE2-CZ3 3.75Å; W180-W265 HydrophobicContact CH2-CZ3 4.47Å; W180-W265 HydrophobicContact CZ2-CE3 4.42Å; W180-W265 AromaticContact CZ2-CH2 4Å; W180-W265 HydrophobicContact CZ2-CH2 4Å; W180-W265 AromaticContact CZ2-CZ3 3.43Å; W180-W265 HydrophobicContact CZ2-CZ3 3.43Å; W180-W265 VanDerWaalsContact CZ2-CZ3 3.43Å; W180-W265 AromaticContact NE1-CZ3 3.71Å; C224-W265 HydrophobicContact CB-CE3 4.04Å; C224-W265 HydrophobicContact CB-CZ3 4.45Å; W263-W265 HydrophobicContact CE3-CZ2 4.36Å; W265-G279 PolarHBondContact N-O 2.85Å
266T95.4Very high93.9Very high4 Ų446.3 Ų46.33%0.02523%0.226CC..EExtended strand (participates in β ladder)trans-144.6147.2-172.4178.90000111.1V15 D17 L18 C225 C278 G279V15-T266 HydrophobicContact CG1-CG2 4.09Å; D17-T266 PolarHBondContact OD1-OG1 3.47Å; L18-T266 HydrophobicContact CB-CG2 4.18Å; L18-T266 HydrophobicContact CD1-CG2 3.61Å; L18-T266 HydrophobicContact CG-CG2 3.62Å; C225-T266 VanDerWaalsContact SG-C 3.52Å; T266-C278 CarbonylContact O-C 3.59Å; T266-C278 VanDerWaalsContact O-CA 3.26Å; T266-C278 WeakPolarHBondContact O-CA 3.38Å; T266-G279 PolarHBondContact N-O 2.9Å; T266-G279 PolarHBondContact O-N 2.94Å
267C95.8Very high94.1Very high0 Ų044.5 Ų44.50%022%0.215CC..EExtended strand (participates in β ladder)trans-149124.2-175.852.10000108.6C225 S227 V236 G238 V277 C278C225-C267 HydrophobicContact CB-CB 4.4Å; C225-C267 WeakPolarHBondContact CB-SG 3.1Å; C225-C267 WeakPolarHBondContact SG-CB 3.41Å; C225-C267 PolarHBondContact SG-N 3.15Å; C225-C267 CovalentContact SG-SG 2.07Å; C225-C267 PolarHBondContact SG-SG 3.42Å; S227-C267 VanDerWaalsContact CB-O 3.29Å; S227-C267 WeakPolarHBondContact CB-O 3.3Å; V236-C267 HydrophobicContact CG1-CB 4.12Å; G238-C267 PolarHBondContact N-SG 3.32Å; C267-V277 CarbonylContact C-O 3.59Å; C267-V277 WeakPolarHBondContact CA-O 3.23Å; C267-C278 HydrophobicContact CB-CB 4.35Å
268Q95.4Very high94.1Very high53 Ų5344.2 Ų44.225%0.24821%0.214CC..EExtended strand (participates in β ladder)trans-131.1141.6-179.1-68.9-64.4-3.700111.5L18 F20 S227 V277L18-Q268 HydrophobicContact CB-CG 3.93Å; L18-Q268 VanDerWaalsContact O-CG 3.23Å; L18-Q268 WeakPolarHBondContact O-CG 3.21Å; L18-Q268 PolarHBondContact O-NE2 3.14Å; F20-Q268 HydrophobicContact CD2-CB 3.9Å; F20-Q268 HydrophobicContact CE2-CB 3.8Å; S227-Q268 PolarHBondContact OG-OE1 2.89Å; Q268-V277 PolarHBondContact N-O 3.5Å; Q268-V277 PolarHBondContact O-N 3.2Å
269V95.6Very high94.3Very high10 Ų1043.9 Ų43.96%0.06121%0.21CC..EExtended strand (participates in β ladder)trans-89.8129.2173.6-172.40000108.8F229 V236 V276F229-V269 HydrophobicContact CD1-CG1 3.88Å; F229-V269 HydrophobicContact CD2-CG1 4.34Å; F229-V269 HydrophobicContact CD2-CG2 3.87Å; F229-V269 HydrophobicContact CE1-CG1 3.95Å; F229-V269 HydrophobicContact CE2-CG1 4.42Å; F229-V269 HydrophobicContact CE2-CG2 3.92Å; F229-V269 HydrophobicContact CG-CG1 4.07Å; F229-V269 HydrophobicContact CG-CG2 4.34Å; F229-V269 HydrophobicContact CZ-CG1 4.18Å; F229-V269 HydrophobicContact CZ-CG2 4.39Å; V236-V269 HydrophobicContact CG2-CG2 3.86Å; V269-V276 HydrophobicContact CG2-CG2 4.45Å
270K94.5Very high94.3Very high45 Ų4537.3 Ų37.320%0.19618%0.179CC..PPolyproline II helixtrans-65.7129.5174.1172.8176.4173.6156.20109.3F20 G24 N272 S273 Y275F20-K270 HydrophobicContact CD1-CB 4.26Å; F20-K270 HydrophobicContact CD1-CG 4.24Å; F20-K270 HydrophobicContact CE1-CB 3.69Å; F20-K270 HydrophobicContact CE1-CD 4.32Å; F20-K270 HydrophobicContact CE1-CG 3.91Å; F20-K270 HydrophobicContact CE2-CB 4.06Å; F20-K270 HydrophobicContact CZ-CB 3.58Å; F20-K270 HydrophobicContact CZ-CG 4.33Å; G24-K270 WeakPolarHBondContact O-CE 3.46Å; G24-K270 PolarHBondContact O-NZ 2.86Å; K270-N272 PolarHBondContact O-N 2.81Å; K270-S273 VanDerWaalsContact CB-OG 3.23Å; K270-S273 WeakPolarHBondContact CB-OG 3.13Å; K270-S273 WeakPolarHBondContact CG-OG 3.34Å; K270-S273 PolarHBondContact O-N 2.9Å; K270-S273 PolarHBondContact O-OG 3.18Å; K270-Y275 PolarHBondContact N-O 3.44Å
271P92.4Very high94.3Very high30 Ų3039 Ų3920%0.19519%0.187CC..THydrogen-bonded Turntrans-49.9135.7-176.5-2934.3000113.9F20 S273F20-P271 HydrophobicContact CB-CG 4.15Å; P271-S273 PolarHBondContact O-N 3.45Å; P271-S273 VanDerWaalsContact O-N 3.15Å
272N89.7Confident94.4Very high150 Ų15034.1 Ų34.180%0.80217%0.169SC*.THydrogen-bonded Turntrans53.830.1177-60.6-26.9000114.6S230 K270S230-N272 PolarHBondContact OG-N 3.24Å; K270-N272 PolarHBondContact O-N 2.81Å
273S92.1Very high94.3Very high26 Ų2633.4 Ų33.418%0.18216%0.163CC..SBendtrans-144.7170.4-176.383.90000112.6K270 P271 Y275K270-S273 VanDerWaalsContact CB-OG 3.23Å; K270-S273 WeakPolarHBondContact CB-OG 3.13Å; K270-S273 WeakPolarHBondContact CG-OG 3.34Å; K270-S273 PolarHBondContact O-N 2.9Å; K270-S273 PolarHBondContact O-OG 3.18Å; P271-S273 PolarHBondContact O-N 3.45Å; P271-S273 VanDerWaalsContact O-N 3.15Å; S273-Y275 VanDerWaalsContact C-N 3.33Å; S273-Y275 PolarHBondContact OG-N 2.95Å
274N92.1Very high94.2Very high65 Ų6530 Ų3035%0.34815%0.151SC..SBendtrans-96.122.5175.3-62.8-14.7000113.3L290 F292N274-L290 HydrophobicContact CB-CB 4.34Å; N274-L290 VanDerWaalsContact CB-O 3.31Å; N274-L290 WeakPolarHBondContact CB-O 3.16Å; N274-L290 PolarHBondContact ND2-O 2.94Å; N274-L290 PolarHBondContact O-N 2.95Å; N274-F292 HydrophobicContact CB-CE2 4.41Å
275Y94.6Very high94.1Very high71 Ų7130 Ų3028%0.27815%0.152SC..EExtended strand (participates in β ladder)trans-94.6133.7178.7-70.8-103.5000110.6K6 K270 S273 Y288 Q289K6-Y275 HydrophobicContact CD-CE1 4.36Å; K6-Y275 HydrophobicContact CG-CD1 4.45Å; K6-Y275 HydrophobicContact CG-CE1 3.88Å; K270-Y275 PolarHBondContact N-O 3.44Å; S273-Y275 VanDerWaalsContact C-N 3.33Å; S273-Y275 PolarHBondContact OG-N 2.95Å; Y275-Y288 CarbonylContact C-O 3.58Å; Y275-Y288 VanDerWaalsContact CA-O 3.26Å; Y275-Y288 WeakPolarHBondContact CA-O 3.37Å; Y275-Q289 HydrophobicContact CD1-CB 4.12Å; Y275-Q289 HydrophobicContact CE1-CB 3.84Å; Y275-Q289 HydrophobicContact CE1-CG 4.21Å; Y275-Q289 HydrophobicContact CE2-CG 4.1Å
276V96.2Very high94.1Very high0 Ų028.8 Ų28.80%015%0.147CC..EExtended strand (participates in β ladder)trans-122.3126.4178.21790000107.7F229 V236 V244 I257 V269 C287 Y288 L290F229-V276 HydrophobicContact CE2-CG2 4.28Å; F229-V276 HydrophobicContact CZ-CG2 3.84Å; V236-V276 HydrophobicContact CG1-CG1 3.81Å; V236-V276 HydrophobicContact CG2-CG1 4.25Å; V236-V276 HydrophobicContact CG2-CG2 4Å; V244-V276 HydrophobicContact CG1-CG1 4.4Å; I257-V276 HydrophobicContact CD1-CG1 4.37Å; I257-V276 HydrophobicContact CD1-CG2 4.24Å; V269-V276 HydrophobicContact CG2-CG2 4.45Å; V276-C287 WeakPolarHBondContact O-CA 3.38Å; V276-Y288 PolarHBondContact N-O 3.15Å; V276-Y288 PolarHBondContact O-N 2.98Å; V276-L290 HydrophobicContact CG2-CD1 4.14Å; V276-L290 HydrophobicContact CG2-CG 4.35Å
277V96.2Very high94.2Very high2 Ų228.6 Ų28.61%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-112.5133.6175.4178.50000108.9W7 L18 F20 I27 C267 Q268 I285 Y286 C287W7-V277 HydrophobicContact CH2-CG1 4.3Å; W7-V277 HydrophobicContact CZ2-CG2 4.35Å; L18-V277 HydrophobicContact CD1-CG1 4.22Å; F20-V277 HydrophobicContact CE2-CB 4.39Å; F20-V277 HydrophobicContact CE2-CG2 4.42Å; F20-V277 HydrophobicContact CZ-CB 4.08Å; F20-V277 HydrophobicContact CZ-CG2 3.67Å; I27-V277 HydrophobicContact CD1-CB 4.38Å; I27-V277 HydrophobicContact CD1-CG1 4.14Å; I27-V277 HydrophobicContact CD1-CG2 3.87Å; C267-V277 CarbonylContact C-O 3.59Å; C267-V277 WeakPolarHBondContact CA-O 3.23Å; Q268-V277 PolarHBondContact N-O 3.5Å; Q268-V277 PolarHBondContact O-N 3.2Å; V277-I285 HydrophobicContact CG1-CG2 3.95Å; V277-Y286 CarbonylContact C-O 3.06Å; V277-Y286 VanDerWaalsContact CA-O 3.25Å; V277-Y286 WeakPolarHBondContact CA-O 2.95Å; V277-C287 HydrophobicContact CG2-CB 3.95Å
278C95.9Very high94.2Very high0 Ų029.2 Ų29.20%015%0.148CC..EExtended strand (participates in β ladder)trans-126145.7175.565.70000112.1V244 V264 T266 C267 I285 Y286V244-C278 HydrophobicContact CG2-CB 3.69Å; V264-C278 HydrophobicContact CG1-CB 3.78Å; T266-C278 CarbonylContact O-C 3.59Å; T266-C278 VanDerWaalsContact O-CA 3.26Å; T266-C278 WeakPolarHBondContact O-CA 3.38Å; C267-C278 HydrophobicContact CB-CB 4.35Å; C278-I285 WeakPolarHBondContact O-CA 2.98Å; C278-Y286 PolarHBondContact N-O 3.14Å; C278-Y286 PolarHBondContact O-N 3.14Å
279G95.2Very high94.2Very high0 Ų028.8 Ų28.80%015%0.146CC..EExtended strand (participates in β ladder)trans-112.5128.617600000110.5W265 T266W265-G279 PolarHBondContact N-O 2.85Å; T266-G279 PolarHBondContact N-O 2.9Å; T266-G279 PolarHBondContact O-N 2.94Å
280C94.9Very high94Very high0 Ų028.3 Ų28.30%014%0.144CC..EExtended strand (participates in β ladder)trans-101.3158-177.3-59.70000111.9W263 D282 G283 T284W263-C280 CarbonylContact O-C 3.53Å; W263-C280 WeakPolarHBondContact O-CA 3.49Å; C280-D282 WeakPolarHBondContact CB-OD1 3.44Å; C280-D282 PolarHBondContact O-N 2.88Å; C280-G283 PolarHBondContact O-N 3.34Å; C280-G283 VanDerWaalsContact O-N 3.11Å; C280-T284 WeakPolarHBondContact CB-O 3.41Å; C280-T284 PolarHBondContact N-O 3.27Å
281Q94.1Very high93.8Very high54 Ų5429.1 Ų29.125%0.25215%0.15SC..THydrogen-bonded Turntrans-60.9-27.5176.3-176.1-176.67.600113.7R14 A262 W263 G283R14-Q281 WeakPolarHBondContact CB-O 3.36Å; R14-Q281 WeakPolarHBondContact CG-O 3.11Å; A262-Q281 HydrophobicContact CB-CB 4.17Å; W263-Q281 HydrophobicContact CB-CB 4.31Å; W263-Q281 PolarHBondContact O-N 2.78Å; Q281-G283 PolarHBondContact O-N 3.38Å
282D92.4Very high93.5Very high65 Ų6529.4 Ų29.435%0.34815%0.148SC..THydrogen-bonded Turntrans-834.6178.862.82.4000113.5A262 C280 T284A262-D282 HydrophobicContact CB-CB 3.83Å; C280-D282 WeakPolarHBondContact CB-OD1 3.44Å; C280-D282 PolarHBondContact O-N 2.88Å; D282-T284 VanDerWaalsContact C-N 3.33Å; D282-T284 WeakPolarHBondContact OD1-CB 3.38Å; D282-T284 PolarHBondContact OD1-N 3.17Å; D282-T284 PolarHBondContact OD1-OG1 3.38Å; D282-T284 PolarHBondContact OD2-OG1 2.97Å
283G91.2Very high93.2Very high0 Ų026 Ų260%013%0.133CC..SBendtrans85.62.7-17700000113.8V11 D13 C280 Q281V11-G283 WeakPolarHBondContact CG2-O 3.27Å; V11-G283 PolarHBondContact N-O 3.43Å; D13-G283 WeakPolarHBondContact O-CA 3.46Å; C280-G283 PolarHBondContact O-N 3.34Å; C280-G283 VanDerWaalsContact O-N 3.11Å; Q281-G283 PolarHBondContact O-N 3.38Å
284T93.8Very high92.9Very high10 Ų1028.1 Ų28.16%0.06115%0.145CC..EExtended strand (participates in β ladder)trans-81.3143.7177.6-42.70000111.8K8 C280 D282 Y286K8-T284 HydrophobicContact CD-CG2 4.32Å; K8-T284 VanDerWaalsContact CE-CG2 3.46Å; K8-T284 HydrophobicContact CG-CG2 4.01Å; C280-T284 WeakPolarHBondContact CB-O 3.41Å; C280-T284 PolarHBondContact N-O 3.27Å; D282-T284 VanDerWaalsContact C-N 3.33Å; D282-T284 WeakPolarHBondContact OD1-CB 3.38Å; D282-T284 PolarHBondContact OD1-N 3.17Å; D282-T284 PolarHBondContact OD1-OG1 3.38Å; D282-T284 PolarHBondContact OD2-OG1 2.97Å; T284-Y286 HydrophobicContact CG2-CD2 3.98Å; T284-Y286 HydrophobicContact CG2-CE1 4.47Å; T284-Y286 HydrophobicContact CG2-CE2 3.22Å
285I94.2Very high92.8Very high2 Ų225.7 Ų25.71%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-125.9131.4-177.5-47.8158.7000107.7W7 K8 E9 V11 V15 M29 V277 C278W7-I285 HydrophobicContact CH2-CG2 3.81Å; W7-I285 HydrophobicContact CZ3-CB 4.19Å; W7-I285 HydrophobicContact CZ3-CG2 3.62Å; K8-I285 VanDerWaalsContact CA-O 3.3Å; K8-I285 WeakPolarHBondContact CA-O 3.49Å; E9-I285 HydrophobicContact CB-CB 4.46Å; E9-I285 HydrophobicContact CB-CD1 4.25Å; E9-I285 PolarHBondContact N-O 3.36Å; E9-I285 PolarHBondContact O-N 3.4Å; V11-I285 HydrophobicContact CG1-CD1 3.9Å; V11-I285 HydrophobicContact CG2-CD1 4.38Å; V15-I285 HydrophobicContact CG2-CG1 4.27Å; M29-I285 HydrophobicContact CE-CB 4.08Å; M29-I285 HydrophobicContact CE-CD1 3.29Å; M29-I285 HydrophobicContact CE-CG1 3.46Å; M29-I285 VanDerWaalsContact CE-CG1 3.46Å; M29-I285 HydrophobicContact CE-CG2 3.48Å; M29-I285 VanDerWaalsContact CE-CG2 3.48Å; M29-I285 HydrophobicContact SD-CD1 3.52Å; M29-I285 VanDerWaalsContact SD-CD1 3.52Å; M29-I285 HydrophobicContact SD-CG1 4.36Å; V277-I285 HydrophobicContact CG1-CG2 3.95Å; C278-I285 WeakPolarHBondContact O-CA 2.98Å
286Y95.1Very high92.7Very high17 Ų1725.4 Ų25.47%0.06713%0.133CC..EExtended strand (participates in β ladder)trans-125.4141.9177.1-63.5-98.8000110.8K8 H260 V277 C278 T284 Y288K8-Y286 HydrophobicContact CB-CD1 4.18Å; K8-Y286 HydrophobicContact CB-CE1 4.29Å; K8-Y286 HydrophobicContact CD-CD1 4.28Å; K8-Y286 HydrophobicContact CD-CE1 3.56Å; K8-Y286 WeakPolarHBondContact CE-OH 3.11Å; K8-Y286 HydrophobicContact CG-CD1 4.06Å; K8-Y286 HydrophobicContact CG-CE1 3.79Å; K8-Y286 PolarHBondContact NZ-OH 3.17Å; H260-Y286 AromaticContact CE1-CD2 3.23Å; H260-Y286 WeakPolarHBondContact CE1-CD2 3.41Å; H260-Y286 AromaticContact CE1-CE2 3.63Å; H260-Y286 AromaticContact CE1-CG 3.47Å; H260-Y286 VanDerWaalsContact CE1-CG 3.47Å; H260-Y286 AromaticContact ND1-CD2 3.23Å; H260-Y286 WeakPolarHBondContact ND1-CD2 3.35Å; H260-Y286 AromaticContact ND1-CE2 3.09Å; H260-Y286 WeakPolarHBondContact ND1-CE2 3.03Å; H260-Y286 AromaticContact ND1-CG 3.81Å; H260-Y286 AromaticContact ND1-CZ 3.59Å; V277-Y286 CarbonylContact C-O 3.06Å; V277-Y286 VanDerWaalsContact CA-O 3.25Å; V277-Y286 WeakPolarHBondContact CA-O 2.95Å; C278-Y286 PolarHBondContact N-O 3.14Å; C278-Y286 PolarHBondContact O-N 3.14Å; T284-Y286 HydrophobicContact CG2-CD2 3.98Å; T284-Y286 HydrophobicContact CG2-CE1 4.47Å; T284-Y286 HydrophobicContact CG2-CE2 3.22Å; Y286-Y288 HydrophobicContact CG-CE2 4.31Å
287C96Very high92.4Very high1 Ų125.9 Ų25.91%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-118.5124.8170.2-177.40000110.3K6 W7 V276 V277K6-C287 PolarHBondContact N-O 3.46Å; W7-C287 HydrophobicContact CD2-CB 3.5Å; W7-C287 VanDerWaalsContact CD2-CB 3.5Å; W7-C287 HydrophobicContact CE3-CB 4.1Å; W7-C287 HydrophobicContact CG-CB 3.92Å; W7-C287 HydrophobicContact CH2-CB 4.07Å; W7-C287 HydrophobicContact CZ2-CB 3.49Å; W7-C287 VanDerWaalsContact CZ2-CB 3.49Å; W7-C287 HydrophobicContact CZ3-CB 4.35Å; W7-C287 PolarHBondContact O-N 3.33Å; V276-C287 WeakPolarHBondContact O-CA 3.38Å; V277-C287 HydrophobicContact CG2-CB 3.95Å
288Y96.3Very high92Very high13 Ų1327.9 Ų27.95%0.05115%0.149CC..EExtended strand (participates in β ladder)trans-116.9134.3179.7-64.2-78.1000110.9I4 E5 I257 H260 Y275 V276 Y286I4-Y288 CarbonylContact O-C 3.51Å; I4-Y288 WeakPolarHBondContact O-CA 3.37Å; E5-Y288 HydrophobicContact CB-CD1 4.07Å; E5-Y288 HydrophobicContact CB-CE1 3.88Å; E5-Y288 HydrophobicContact CG-CE1 4.18Å; I257-Y288 HydrophobicContact CG2-CD1 4.28Å; I257-Y288 HydrophobicContact CG2-CD2 3.7Å; I257-Y288 HydrophobicContact CG2-CE2 4.36Å; I257-Y288 HydrophobicContact CG2-CG 3.63Å; H260-Y288 AromaticContact CE1-CE2 3.78Å; H260-Y288 AromaticContact CE1-CZ 3.88Å; H260-Y288 PolarHBondContact CE1-OH 3.44Å; H260-Y288 AromaticContact NE2-CE2 3.98Å; Y275-Y288 CarbonylContact C-O 3.58Å; Y275-Y288 VanDerWaalsContact CA-O 3.26Å; Y275-Y288 WeakPolarHBondContact CA-O 3.37Å; V276-Y288 PolarHBondContact N-O 3.15Å; V276-Y288 PolarHBondContact O-N 2.98Å; Y286-Y288 HydrophobicContact CG-CE2 4.31Å
289Q94.9Very high91.7Very high44 Ų4430.3 Ų30.321%0.20616%0.158CC..EExtended strand (participates in β ladder)trans-94.9126.1164.3-175.4-1768.400109.5I4 K6 Y275I4-Q289 PolarHBondContact N-O 3.35Å; I4-Q289 PolarHBondContact O-N 2.62Å; K6-Q289 HydrophobicContact CD-CB 4.42Å; K6-Q289 VanDerWaalsContact CE-CB 3.49Å; K6-Q289 HydrophobicContact CG-CB 3.97Å; Y275-Q289 HydrophobicContact CD1-CB 4.12Å; Y275-Q289 HydrophobicContact CE1-CB 3.84Å; Y275-Q289 HydrophobicContact CE1-CG 4.21Å; Y275-Q289 HydrophobicContact CE2-CG 4.1Å
290L93Very high91.2Very high0 Ų035.8 Ų35.80%018%0.182CC..EExtended strand (participates in β ladder)trans-93.2123.1174.6-55.3-171.7000111.6M1 P3 F229 L246 I257 N274 V276 F292M1-L290 HydrophobicContact CE-CD1 4.15Å; M1-L290 HydrophobicContact CE-CD2 3.9Å; P3-L290 HydrophobicContact CB-CD2 3.85Å; F229-L290 HydrophobicContact CE2-CD1 4.39Å; F229-L290 HydrophobicContact CZ-CD1 3.67Å; L246-L290 HydrophobicContact CD1-CD1 4.18Å; L246-L290 HydrophobicContact CD2-CD1 4.28Å; I257-L290 HydrophobicContact CB-CD2 4.47Å; I257-L290 HydrophobicContact CD1-CD1 3.94Å; I257-L290 HydrophobicContact CD1-CD2 4.22Å; I257-L290 HydrophobicContact CG1-CD1 4.42Å; I257-L290 HydrophobicContact CG1-CD2 4.04Å; I257-L290 HydrophobicContact CG2-CD2 3.85Å; N274-L290 HydrophobicContact CB-CB 4.34Å; N274-L290 VanDerWaalsContact CB-O 3.31Å; N274-L290 WeakPolarHBondContact CB-O 3.16Å; N274-L290 PolarHBondContact ND2-O 2.94Å; N274-L290 PolarHBondContact O-N 2.95Å; V276-L290 HydrophobicContact CG2-CD1 4.14Å; V276-L290 HydrophobicContact CG2-CG 4.35Å; L290-F292 HydrophobicContact CB-CE2 4.06Å; L290-F292 HydrophobicContact CB-CZ 4.14Å; L290-F292 HydrophobicContact CD1-CZ 4.2Å
291N90.1Very high90.8Very high62 Ų6237.6 Ų37.633%0.33219%0.192SC..EExtended strand (participates in β ladder)trans-103.6118.8172.9-72.8-4.4000110.9M1 R2 I4M1-N291 CarbonylContact C-O 3.52Å; M1-N291 WeakPolarHBondContact CA-O 2.97Å; R2-N291 PolarHBondContact N-O 3.43Å; R2-N291 PolarHBondContact O-N 3.14Å; I4-N291 VanDerWaalsContact CD1-ND2 3.31Å; I4-N291 WeakPolarHBondContact CD1-ND2 3.49Å
292F85.8Confident90.6Very high36 Ų3636.2 Ų36.216%0.15819%0.186CC..  trans-95.3103.1176.8-59.8-82.2000109.9M1 Y234 L246 N274 L290 M309M1-F292 HydrophobicContact CB-CD1 4.09Å; M1-F292 HydrophobicContact CB-CE1 4.28Å; M1-F292 HydrophobicContact CG-CD1 4.22Å; M1-F292 HydrophobicContact CG-CE1 3.98Å; Y234-F292 HydrophobicContact CD2-CE1 4.34Å; Y234-F292 HydrophobicContact CD2-CZ 4.02Å; Y234-F292 AromaticContact CE2-CE1 3.84Å; Y234-F292 HydrophobicContact CE2-CE1 3.84Å; Y234-F292 HydrophobicContact CE2-CE2 4.47Å; Y234-F292 AromaticContact CE2-CZ 3.8Å; Y234-F292 HydrophobicContact CE2-CZ 3.8Å; L246-F292 HydrophobicContact CD2-CE1 4.04Å; L246-F292 HydrophobicContact CD2-CZ 4.36Å; N274-F292 HydrophobicContact CB-CE2 4.41Å; L290-F292 HydrophobicContact CB-CE2 4.06Å; L290-F292 HydrophobicContact CB-CZ 4.14Å; L290-F292 HydrophobicContact CD1-CZ 4.2Å; F292-M309 HydrophobicContact CD1-CE 4.26Å; F292-M309 HydrophobicContact CD1-SD 3.88Å
293T83.8Confident90.6Very high79 Ų7933.5 Ų33.549%0.48517%0.171SC..  trans-78143.4179.556.30000111.6R306T293-R306 PolarHBondContact O-NH2 2.73Å
294T84.8Confident90.7Very high70 Ų7033.5 Ų33.543%0.42917%0.171SC..  trans-67.5142169.952.20000111.2V544 Y545T294-V544 WeakPolarHBondContact CG2-O 3.15Å; T294-Y545 HydrophobicContact CG2-CD1 3.41Å; T294-Y545 VanDerWaalsContact CG2-CD1 3.41Å; T294-Y545 HydrophobicContact CG2-CE1 3.52Å
295V90.5Very high90.7Very high14 Ų1436 Ų369%0.08518%0.179CC..  trans-134.3117.6175.61780000106.8Y305 R306 K332 I334V295-Y305 WeakPolarHBondContact O-CA 3.33Å; V295-R306 HydrophobicContact CB-CB 3.99Å; V295-R306 PolarHBondContact O-N 3.4Å; V295-K332 WeakPolarHBondContact CG2-O 3.41Å; V295-I334 HydrophobicContact CG1-CB 4.19Å; V295-I334 HydrophobicContact CG1-CD1 3.95Å; V295-I334 HydrophobicContact CG1-CG1 3.81Å
296H91.8Very high90.6Very high65 Ų6537.4 Ų37.430%0.30119%0.185SC..EExtended strand (participates in β ladder)trans-149.1167.9-179.259.9-124.7000111.5Y303 A304 L542H296-Y303 HydrophobicContact CB-CE2 3.57Å; H296-Y303 AromaticContact CG-CE2 3.98Å; H296-A304 CarbonylContact C-O 3.58Å; H296-A304 WeakPolarHBondContact CA-O 3.47Å; H296-A304 WeakPolarHBondContact CB-O 3.37Å; H296-L542 WeakPolarHBondContact CE1-CD2 3.49Å; H296-L542 WeakPolarHBondContact ND1-CD2 3.42Å
297G90.3Very high90.4Very high10 Ų1038.1 Ų38.110%0.10319%0.19CC..EExtended strand (participates in β ladder)trans-143.7145.1164.500000109.5A304G297-A304 PolarHBondContact N-O 2.75Å; G297-A304 PolarHBondContact O-N 3.03Å
298L89.2Confident89.9Confident44 Ų4441.9 Ų41.923%0.2321%0.21CC..EExtended strand (participates in β ladder)trans-126.4130.5176.4-177.774.8000108.8L302 Y303 L317 V532 F540 M547L298-L302 WeakPolarHBondContact CA-O 3.41Å; L298-Y303 HydrophobicContact CD1-CD2 4.17Å; L298-L317 HydrophobicContact CD1-CD1 3.91Å; L298-V532 HydrophobicContact CB-CG1 4.16Å; L298-V532 HydrophobicContact CD2-CB 4Å; L298-V532 HydrophobicContact CD2-CG1 3.7Å; L298-V532 WeakPolarHBondContact CD2-O 3.41Å; L298-F540 HydrophobicContact CD2-CD2 4.49Å; L298-M547 HydrophobicContact CD1-CE 3.97Å; L298-M547 HydrophobicContact CD2-CE 4.38Å
299Y88.3Confident89.5Confident50 Ų5041.6 Ų41.620%0.19621%0.209CC..EExtended strand (participates in β ladder)trans-131.5109.3167.2177.7-100.5000109D301 L302 Y337 R338Y299-D301 PolarHBondContact O-N 3.06Å; Y299-D301 VanDerWaalsContact O-N 3.11Å; Y299-L302 PolarHBondContact N-O 2.94Å; Y299-L302 WeakPolarHBondContact O-CB 3.03Å; Y299-L302 PolarHBondContact O-N 2.9Å; Y299-Y337 AromaticContact CD2-CD2 3.65Å; Y299-Y337 HydrophobicContact CD2-CD2 3.65Å; Y299-Y337 HydrophobicContact CD2-CE2 4.15Å; Y299-Y337 AromaticContact CE2-CD2 3.46Å; Y299-Y337 HydrophobicContact CE2-CD2 3.46Å; Y299-Y337 VanDerWaalsContact CE2-CD2 3.46Å; Y299-Y337 AromaticContact CE2-CE2 3.49Å; Y299-Y337 HydrophobicContact CE2-CE2 3.49Å; Y299-Y337 VanDerWaalsContact CE2-CE2 3.49Å; Y299-Y337 HydrophobicContact CE2-CG 4.45Å; Y299-R338 VanDerWaalsContact CD1-N 3.28Å; Y299-R338 VanDerWaalsContact CE1-CA 3.49Å; Y299-R338 HydrophobicContact CE1-CB 4.4Å; Y299-R338 HydrophobicContact CE1-CG 4.11Å; Y299-R338 VanDerWaalsContact CE1-N 3.27Å; Y299-R338 WeakPolarHBondContact OH-CG 3.47Å
300K85.6Confident89.4Confident115 Ų11539.8 Ų39.850%0.520%0.201SC..THydrogen-bonded Turntrans55-110.8-170.5-60.2-177.7173.8-171.20110.8F540K300-F540 WeakPolarHBondContact O-CE2 3.4Å
301D86.6Confident89.3Confident39 Ų3940.7 Ų40.721%0.20921%0.206CC..THydrogen-bonded Turntrans-94.2-10.1179.544.8-7.3000113.7Y299 L317 I318 F540Y299-D301 PolarHBondContact O-N 3.06Å; Y299-D301 VanDerWaalsContact O-N 3.11Å; D301-L317 WeakPolarHBondContact O-CB 3.49Å; D301-L317 WeakPolarHBondContact O-CG 3.37Å; D301-L317 PolarHBondContact O-N 3.47Å; D301-I318 HydrophobicContact CB-CD1 3.75Å; D301-I318 HydrophobicContact CB-CG1 3.81Å; D301-I318 VanDerWaalsContact OD2-CD1 3.29Å; D301-I318 WeakPolarHBondContact OD2-CD1 3.19Å; D301-F540 HydrophobicContact CB-CZ 4.23Å
302L89.7Confident89.5Confident25 Ų2537.8 Ų37.813%0.13119%0.19CC..EExtended strand (participates in β ladder)trans-88113.3-180-58.1-177.2000111.3L298 Y299 I336 M359L298-L302 WeakPolarHBondContact CA-O 3.41Å; Y299-L302 PolarHBondContact N-O 2.94Å; Y299-L302 WeakPolarHBondContact O-CB 3.03Å; Y299-L302 PolarHBondContact O-N 2.9Å; L302-I336 HydrophobicContact CB-CD1 3.71Å; L302-I336 HydrophobicContact CD1-CD1 4.22Å; L302-M359 HydrophobicContact CD2-CE 3.07Å; L302-M359 HydrophobicContact CG-CE 4.48Å
303Y92.3Very high89.9Confident8 Ų836.6 Ų36.63%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-109.2114.7178.7-177.7-117.7000111.3H296 L298 Y305 V314 Q315 M547H296-Y303 HydrophobicContact CB-CE2 3.57Å; H296-Y303 AromaticContact CG-CE2 3.98Å; L298-Y303 HydrophobicContact CD1-CD2 4.17Å; Y303-Y305 AromaticContact CD1-CD1 3.54Å; Y303-Y305 HydrophobicContact CD1-CD1 3.54Å; Y303-Y305 HydrophobicContact CD1-CE1 4.18Å; Y303-Y305 HydrophobicContact CD1-CG 4.34Å; Y303-Y305 AromaticContact CE1-CD1 3.3Å; Y303-Y305 HydrophobicContact CE1-CD1 3.3Å; Y303-Y305 HydrophobicContact CE1-CE1 4.08Å; Y303-Y305 AromaticContact CE1-CG 3.7Å; Y303-Y305 HydrophobicContact CE1-CG 3.7Å; Y303-V314 CarbonylContact O-C 3.5Å; Y303-V314 WeakPolarHBondContact O-CA 3.29Å; Y303-Q315 PolarHBondContact N-O 3.37Å; Y303-Q315 PolarHBondContact O-N 3.22Å; Y303-M547 HydrophobicContact CD1-CB 3.82Å; Y303-M547 HydrophobicContact CD1-CG 3.83Å; Y303-M547 HydrophobicContact CD2-CE 3.9Å; Y303-M547 HydrophobicContact CD2-CG 4.35Å; Y303-M547 HydrophobicContact CD2-SD 4.38Å; Y303-M547 HydrophobicContact CE1-CB 3.55Å; Y303-M547 HydrophobicContact CE1-CG 3.95Å; Y303-M547 HydrophobicContact CE2-CE 4.25Å; Y303-M547 HydrophobicContact CE2-CG 4.44Å; Y303-M547 HydrophobicContact CE2-SD 4.23Å; Y303-M547 HydrophobicContact CG-CE 4.24Å; Y303-M547 HydrophobicContact CG-CG 4.05Å
304A93.1Very high90.3Very high0 Ų032.9 Ų32.90%016%0.162CC..EExtended strand (participates in β ladder)trans-105.7127.8174.800000109.9H296 G297 I313 V314 I334 I336 L341H296-A304 CarbonylContact C-O 3.58Å; H296-A304 WeakPolarHBondContact CA-O 3.47Å; H296-A304 WeakPolarHBondContact CB-O 3.37Å; G297-A304 PolarHBondContact N-O 2.75Å; G297-A304 PolarHBondContact O-N 3.03Å; A304-I313 CarbonylContact C-O 3.54Å; A304-I313 VanDerWaalsContact CA-O 3.26Å; A304-I313 WeakPolarHBondContact CA-O 3.33Å; A304-V314 HydrophobicContact CB-CG2 4.16Å; A304-I334 HydrophobicContact CB-CG2 3.77Å; A304-I336 HydrophobicContact CB-CB 4.42Å; A304-I336 HydrophobicContact CB-CD1 4.32Å; A304-I336 HydrophobicContact CB-CG2 4.44Å; A304-L341 HydrophobicContact CB-CD1 3.77Å
305Y93.3Very high90.6Very high61 Ų6131.6 Ų31.624%0.23915%0.152CC..EExtended strand (participates in β ladder)trans-141.6159.4179.270.2-83.4000112.9V295 Y303 D307 V312 I313V295-Y305 WeakPolarHBondContact O-CA 3.33Å; Y303-Y305 AromaticContact CD1-CD1 3.54Å; Y303-Y305 HydrophobicContact CD1-CD1 3.54Å; Y303-Y305 HydrophobicContact CD1-CE1 4.18Å; Y303-Y305 HydrophobicContact CD1-CG 4.34Å; Y303-Y305 AromaticContact CE1-CD1 3.3Å; Y303-Y305 HydrophobicContact CE1-CD1 3.3Å; Y303-Y305 HydrophobicContact CE1-CE1 4.08Å; Y303-Y305 AromaticContact CE1-CG 3.7Å; Y303-Y305 HydrophobicContact CE1-CG 3.7Å; Y305-D307 HydrophobicContact CE2-CB 4.39Å; Y305-V312 CarbonylContact O-C 3.56Å; Y305-V312 WeakPolarHBondContact O-CA 3.36Å; Y305-I313 HydrophobicContact CD1-CB 4.16Å; Y305-I313 HydrophobicContact CD1-CG2 4.43Å; Y305-I313 HydrophobicContact CE1-CB 3.65Å; Y305-I313 HydrophobicContact CE1-CG2 3.6Å; Y305-I313 HydrophobicContact CE2-CB 4.21Å; Y305-I313 HydrophobicContact CE2-CD1 4.05Å; Y305-I313 PolarHBondContact N-O 3.09Å; Y305-I313 PolarHBondContact O-N 2.77Å; Y305-I313 WeakPolarHBondContact OH-CD1 3.36Å
306R92.8Very high90.5Very high33 Ų3332 Ų3213%0.12515%0.153CC..EExtended strand (participates in β ladder)trans-85.5124.6178.9-174.2179.475.2-167.1-6.4111.1T293 V295 M309 N311 V331 I334T293-R306 PolarHBondContact O-NH2 2.73Å; V295-R306 HydrophobicContact CB-CB 3.99Å; V295-R306 PolarHBondContact O-N 3.4Å; R306-M309 WeakPolarHBondContact CD-O 3.17Å; R306-M309 VanDerWaalsContact CZ-CE 3.48Å; R306-M309 PolarHBondContact NH2-SD 2.9Å; R306-N311 CarbonylContact C-O 3.53Å; R306-N311 WeakPolarHBondContact CA-O 3.45Å; R306-V331 HydrophobicContact CB-CG1 4.45Å; R306-V331 WeakPolarHBondContact CD-O 3.49Å; R306-V331 HydrophobicContact CG-CB 3.88Å; R306-V331 HydrophobicContact CG-CG1 4.2Å; R306-V331 PolarHBondContact NH1-O 3.45Å; R306-I334 HydrophobicContact CB-CD1 4Å
307D89.8Confident90.3Very high32 Ų3229.2 Ų29.217%0.17114%0.141CC..EExtended strand (participates in β ladder)trans-110.4139.5173.7179.638.1000110.6Y305 M309 T310 N311 I313 R324Y305-D307 HydrophobicContact CE2-CB 4.39Å; D307-M309 PolarHBondContact O-N 3Å; D307-T310 PolarHBondContact O-N 3.45Å; D307-N311 HydrophobicContact CB-CB 4.22Å; D307-N311 PolarHBondContact N-O 2.81Å; D307-N311 WeakPolarHBondContact O-CA 3.46Å; D307-N311 WeakPolarHBondContact O-CB 3.39Å; D307-N311 PolarHBondContact O-N 3.29Å; D307-I313 HydrophobicContact CB-CD1 3.56Å; D307-I313 HydrophobicContact CB-CG1 3.89Å; D307-R324 IonicContact OD2-CZ 3.11Å; D307-R324 IonicContact OD2-NE 2.97Å; D307-R324 IonicContact OD2-NH2 2.75Å; D307-R324 PolarHBondContact OD2-NH2 2.89Å
308N85.8Confident90Very high79 Ų7932.4 Ų32.442%0.42216%0.155SC..THydrogen-bonded Turntrans46.531.4179.3-68.4-49000115.2T310N308-T310 PolarHBondContact O-N 3.46Å
309M89.2Confident89.8Confident8 Ų833.9 Ų33.94%0.03917%0.165CC..THydrogen-bonded Turntrans64.5-21.5-177.2-55.5-65.7-63.900116.7M1 Y234 L254 F292 R306 D307 L330 V331M1-M309 HydrophobicContact CB-CE 3.65Å; Y234-M309 HydrophobicContact CE1-CG 3.79Å; Y234-M309 VanDerWaalsContact OH-CG 3.32Å; Y234-M309 WeakPolarHBondContact OH-CG 3.29Å; L254-M309 HydrophobicContact CD1-CB 3.96Å; L254-M309 HydrophobicContact CD1-CG 4.09Å; L254-M309 HydrophobicContact CD2-CB 3.76Å; F292-M309 HydrophobicContact CD1-CE 4.26Å; F292-M309 HydrophobicContact CD1-SD 3.88Å; R306-M309 WeakPolarHBondContact CD-O 3.17Å; R306-M309 VanDerWaalsContact CZ-CE 3.48Å; R306-M309 PolarHBondContact NH2-SD 2.9Å; D307-M309 PolarHBondContact O-N 3Å; M309-L330 HydrophobicContact CB-CD1 4.23Å; M309-L330 HydrophobicContact CE-CD1 3.48Å; M309-L330 VanDerWaalsContact CE-CD1 3.48Å; M309-V331 PolarHBondContact O-N 3.38Å
310T91.3Very high89.5Confident5 Ų538.3 Ų38.33%0.03119%0.188CC..THydrogen-bonded Turntrans-118.1-14.3-174.560.20000114.8T248 V252 L254 D307 N308 C327 E329T248-T310 HydrophobicContact CG2-CG2 3.67Å; V252-T310 HydrophobicContact CG1-CG2 4.17Å; L254-T310 HydrophobicContact CD2-CG2 3.61Å; D307-T310 PolarHBondContact O-N 3.45Å; N308-T310 PolarHBondContact O-N 3.46Å; T310-C327 WeakPolarHBondContact O-CB 3.46Å; T310-C327 PolarHBondContact O-N 2.77Å; T310-E329 VanDerWaalsContact CA-O 3.29Å; T310-E329 WeakPolarHBondContact CA-O 3.48Å; T310-E329 WeakPolarHBondContact CB-O 3.44Å
311N91.6Very high89.5Confident20 Ų2038.1 Ų38.111%0.10719%0.189CC..EExtended strand (participates in β ladder)trans-104.7150.7-178.1-58.1-25.6000109.4R306 D307 R324 I325R306-N311 CarbonylContact C-O 3.53Å; R306-N311 WeakPolarHBondContact CA-O 3.45Å; D307-N311 HydrophobicContact CB-CB 4.22Å; D307-N311 PolarHBondContact N-O 2.81Å; D307-N311 WeakPolarHBondContact O-CA 3.46Å; D307-N311 WeakPolarHBondContact O-CB 3.39Å; D307-N311 PolarHBondContact O-N 3.29Å; N311-R324 HydrophobicContact CB-CG 4.48Å; N311-I325 WeakPolarHBondContact CA-O 3.14Å
312V94.7Very high89.7Confident0 Ų041.8 Ų41.80%021%0.209CC..EExtended strand (participates in β ladder)trans-114.6128.7169.11770000107.6Y305 V314 I325 V331 I334 L341 I343Y305-V312 CarbonylContact O-C 3.56Å; Y305-V312 WeakPolarHBondContact O-CA 3.36Å; V312-V314 HydrophobicContact CG1-CG2 4.45Å; V312-I325 HydrophobicContact CB-CB 4.38Å; V312-I325 PolarHBondContact N-O 3.24Å; V312-I325 PolarHBondContact O-N 2.97Å; V312-V331 HydrophobicContact CG2-CB 4.47Å; V312-V331 HydrophobicContact CG2-CG1 3.93Å; V312-V331 HydrophobicContact CG2-CG2 3.84Å; V312-I334 HydrophobicContact CB-CD1 4.43Å; V312-I334 HydrophobicContact CG1-CD1 3.97Å; V312-I334 HydrophobicContact CG2-CD1 3.78Å; V312-I334 HydrophobicContact CG2-CG1 4.15Å; V312-L341 HydrophobicContact CG1-CD2 4.26Å; V312-I343 HydrophobicContact CB-CD1 4.11Å; V312-I343 HydrophobicContact CG1-CD1 4.4Å; V312-I343 HydrophobicContact CG2-CD1 3.82Å; V312-I343 HydrophobicContact CG2-CG1 4.14Å; V312-I343 HydrophobicContact CG2-CG2 3.91Å
313I93.1Very high89.7Confident12 Ų1242.8 Ų42.86%0.06221%0.214CC..EExtended strand (participates in β ladder)trans-107127.6171.8-61.8177.6000107.1A304 Y305 D307 N322 L323 R324A304-I313 CarbonylContact C-O 3.54Å; A304-I313 VanDerWaalsContact CA-O 3.26Å; A304-I313 WeakPolarHBondContact CA-O 3.33Å; Y305-I313 HydrophobicContact CD1-CB 4.16Å; Y305-I313 HydrophobicContact CD1-CG2 4.43Å; Y305-I313 HydrophobicContact CE1-CB 3.65Å; Y305-I313 HydrophobicContact CE1-CG2 3.6Å; Y305-I313 HydrophobicContact CE2-CB 4.21Å; Y305-I313 HydrophobicContact CE2-CD1 4.05Å; Y305-I313 PolarHBondContact N-O 3.09Å; Y305-I313 PolarHBondContact O-N 2.77Å; Y305-I313 WeakPolarHBondContact OH-CD1 3.36Å; D307-I313 HydrophobicContact CB-CD1 3.56Å; D307-I313 HydrophobicContact CB-CG1 3.89Å; I313-N322 HydrophobicContact CG2-CB 4.11Å; I313-L323 CarbonylContact C-O 3.59Å; I313-L323 VanDerWaalsContact CA-O 3.28Å; I313-L323 WeakPolarHBondContact CA-O 3.4Å; I313-R324 HydrophobicContact CG1-CB 4.47Å; I313-R324 HydrophobicContact CG1-CG 4.45Å
314V92.4Very high89.7Confident0 Ų049 Ų490%024%0.237CC..EExtended strand (participates in β ladder)trans-104.9124.1168.4-174.80000106.9Y303 A304 V312 N322 L323 I325 I336 L341 M359 Y361Y303-V314 CarbonylContact O-C 3.5Å; Y303-V314 WeakPolarHBondContact O-CA 3.29Å; A304-V314 HydrophobicContact CB-CG2 4.16Å; V312-V314 HydrophobicContact CG1-CG2 4.45Å; V314-N322 CarbonylContact O-C 3.48Å; V314-N322 WeakPolarHBondContact O-CA 3.49Å; V314-L323 PolarHBondContact N-O 2.89Å; V314-L323 PolarHBondContact O-N 3.18Å; V314-I325 HydrophobicContact CG2-CD1 4.28Å; V314-I336 HydrophobicContact CG1-CD1 4.21Å; V314-L341 HydrophobicContact CG2-CD2 3.8Å; V314-M359 HydrophobicContact CG1-SD 4.32Å; V314-Y361 HydrophobicContact CB-CD2 4.47Å; V314-Y361 HydrophobicContact CB-CE2 4.33Å; V314-Y361 HydrophobicContact CG1-CD2 4.42Å; V314-Y361 HydrophobicContact CG1-CE2 3.8Å; V314-Y361 HydrophobicContact CG2-CD2 4.24Å; V314-Y361 HydrophobicContact CG2-CE2 4.29Å
315Q91.1Very high89.7Confident44 Ų4450 Ų5021%0.20624%0.242CC..EExtended strand (participates in β ladder)trans-122.8132-178.5-175.8-179.3900109.3Y303 L317 Q321 N322Y303-Q315 PolarHBondContact N-O 3.37Å; Y303-Q315 PolarHBondContact O-N 3.22Å; Q315-L317 HydrophobicContact CG-CD2 4.39Å; Q315-Q321 WeakPolarHBondContact CA-O 3.46Å; Q315-N322 HydrophobicContact CB-CB 4.5Å
316D89.3Confident89.5Confident22 Ų2253.8 Ų53.812%0.11826%0.26CS..EExtended strand (participates in β ladder)trans-80.5118.6163.1-171.1-28000108.7I318 T319 E320 Q321 M359D316-I318 PolarHBondContact O-N 3.36Å; D316-I318 WeakPolarHBondContact OD1-CA 3.23Å; D316-I318 WeakPolarHBondContact OD1-CB 3.44Å; D316-I318 PolarHBondContact OD1-N 3.33Å; D316-T319 WeakPolarHBondContact CB-OG1 3.4Å; D316-T319 PolarHBondContact OD1-N 2.75Å; D316-T319 WeakPolarHBondContact OD2-CG2 3.46Å; D316-T319 PolarHBondContact OD2-OG1 2.73Å; D316-E320 WeakPolarHBondContact O-CA 3.14Å; D316-E320 PolarHBondContact O-N 2.68Å; D316-Q321 PolarHBondContact N-O 2.78Å; D316-M359 HydrophobicContact CB-CE 3.59Å; D316-M359 HydrophobicContact CB-SD 4.47Å
317L87.3Confident89.3Confident7 Ų753 Ų534%0.03726%0.259CS..THydrogen-bonded Turntrans-78.4-8.4-178.7-60.4175.7000113.5L298 D301 Q315 F540 M547L298-L317 HydrophobicContact CD1-CD1 3.91Å; D301-L317 WeakPolarHBondContact O-CB 3.49Å; D301-L317 WeakPolarHBondContact O-CG 3.37Å; D301-L317 PolarHBondContact O-N 3.47Å; Q315-L317 HydrophobicContact CG-CD2 4.39Å; L317-F540 HydrophobicContact CB-CD1 3.95Å; L317-F540 HydrophobicContact CB-CE1 3.41Å; L317-F540 VanDerWaalsContact CB-CE1 3.41Å; L317-F540 HydrophobicContact CB-CZ 3.97Å; L317-F540 HydrophobicContact CD1-CB 4.24Å; L317-F540 HydrophobicContact CD1-CD1 3.39Å; L317-F540 HydrophobicContact CD1-CD2 4.16Å; L317-F540 HydrophobicContact CD1-CE1 3.66Å; L317-F540 HydrophobicContact CD1-CE2 4.38Å; L317-F540 HydrophobicContact CD1-CG 3.67Å; L317-F540 HydrophobicContact CD1-CZ 4.15Å; L317-F540 HydrophobicContact CG-CD1 4.3Å; L317-F540 HydrophobicContact CG-CE1 4.21Å; L317-M547 HydrophobicContact CD1-CE 3.52Å; L317-M547 HydrophobicContact CD1-CG 4.13Å; L317-M547 HydrophobicContact CD2-CG 3.76Å
318I83.4Confident89.2Confident77 Ų7756.9 Ų56.940%0.39528%0.276SS..THydrogen-bonded Turntrans-95-49.8176-59.6-179.2000110.2D301 D316D301-I318 HydrophobicContact CB-CD1 3.75Å; D301-I318 HydrophobicContact CB-CG1 3.81Å; D301-I318 VanDerWaalsContact OD2-CD1 3.29Å; D301-I318 WeakPolarHBondContact OD2-CD1 3.19Å; D316-I318 PolarHBondContact O-N 3.36Å; D316-I318 WeakPolarHBondContact OD1-CA 3.23Å; D316-I318 WeakPolarHBondContact OD1-CB 3.44Å; D316-I318 PolarHBondContact OD1-N 3.33Å
319T84.4Confident89.4Confident74 Ų7455.8 Ų55.845%0.45427%0.268SS..THydrogen-bonded Turntrans-88.9-9.8-178.665.20000113.8D316 Q321D316-T319 WeakPolarHBondContact CB-OG1 3.4Å; D316-T319 PolarHBondContact OD1-N 2.75Å; D316-T319 WeakPolarHBondContact OD2-CG2 3.46Å; D316-T319 PolarHBondContact OD2-OG1 2.73Å; T319-Q321 PolarHBondContact O-N 2.79Å
320E82.8Confident89.5Confident143 Ų14356.5 Ų56.567%0.66827%0.272SS*.  trans59.98.9-175.9-59-172.8174.500115.1D316D316-E320 WeakPolarHBondContact O-CA 3.14Å; D316-E320 PolarHBondContact O-N 2.68Å
321Q86.1Confident89.6Confident112 Ų11256.3 Ų56.352%0.52327%0.271SS..  trans-66.1140172.8-66.4-175.8-300110.4Q315 D316 T319Q315-Q321 WeakPolarHBondContact CA-O 3.46Å; D316-Q321 PolarHBondContact N-O 2.78Å; T319-Q321 PolarHBondContact O-N 2.79Å
322N89.8Confident89.6Confident116 Ų11658.4 Ų58.462%0.6228%0.279SS*.EExtended strand (participates in β ladder)trans-128.5144.2176.867.149.6000112I313 V314 Q315I313-N322 HydrophobicContact CG2-CB 4.11Å; V314-N322 CarbonylContact O-C 3.48Å; V314-N322 WeakPolarHBondContact O-CA 3.49Å; Q315-N322 HydrophobicContact CB-CB 4.5Å
323L90.7Very high89.5Confident45 Ų4561.8 Ų61.824%0.23629%0.294CS..EExtended strand (participates in β ladder)trans-122128173.4178.279.1000108.8I313 V314 I325 M359 Y361I313-L323 CarbonylContact C-O 3.59Å; I313-L323 VanDerWaalsContact CA-O 3.28Å; I313-L323 WeakPolarHBondContact CA-O 3.4Å; V314-L323 PolarHBondContact N-O 2.89Å; V314-L323 PolarHBondContact O-N 3.18Å; L323-I325 HydrophobicContact CD2-CD1 4.26Å; L323-I325 HydrophobicContact CD2-CG1 3.95Å; L323-I325 HydrophobicContact CG-CG1 4.41Å; L323-M359 WeakPolarHBondContact CD2-O 3.37Å; L323-Y361 HydrophobicContact CD2-CD2 3.8Å; L323-Y361 HydrophobicContact CD2-CG 4.23Å
324R92.3Very high89.7Confident140 Ų14061.6 Ų61.653%0.52829%0.293SS..EExtended strand (participates in β ladder)trans-101.5118.6174.3-179.8178.7-86.2166.2-9.9111.6D307 N311 I313D307-R324 IonicContact OD2-CZ 3.11Å; D307-R324 IonicContact OD2-NE 2.97Å; D307-R324 IonicContact OD2-NH2 2.75Å; D307-R324 PolarHBondContact OD2-NH2 2.89Å; N311-R324 HydrophobicContact CB-CG 4.48Å; I313-R324 HydrophobicContact CG1-CB 4.47Å; I313-R324 HydrophobicContact CG1-CG 4.45Å
325I92Very high89.8Confident20 Ų2062 Ų6210%0.10330%0.296CS..EExtended strand (participates in β ladder)trans-101.6114.1174.1-52.6171.7000109.1N311 V312 V314 L323 C327 L341 I343 Y361N311-I325 WeakPolarHBondContact CA-O 3.14Å; V312-I325 HydrophobicContact CB-CB 4.38Å; V312-I325 PolarHBondContact N-O 3.24Å; V312-I325 PolarHBondContact O-N 2.97Å; V314-I325 HydrophobicContact CG2-CD1 4.28Å; L323-I325 HydrophobicContact CD2-CD1 4.26Å; L323-I325 HydrophobicContact CD2-CG1 3.95Å; L323-I325 HydrophobicContact CG-CG1 4.41Å; I325-C327 PolarHBondContact O-N 2.82Å; I325-L341 HydrophobicContact CD1-CD2 3.47Å; I325-L341 VanDerWaalsContact CD1-CD2 3.47Å; I325-I343 HydrophobicContact CD1-CD1 4.4Å; I325-I343 HydrophobicContact CG2-CD1 4.32Å; I325-Y361 HydrophobicContact CD1-CG 4.38Å
326K90.3Very high90Very high140 Ų14060.5 Ų60.561%0.60929%0.289SS*.EExtended strand (participates in β ladder)trans-84.1111.3176.7-65.1-178-1791780110.2
327C88.9Confident90.1Very high16 Ų1659.7 Ų59.711%0.10828%0.284CS..  trans-92.9-19.7-179.3-54.80000113.5T310 I325 E329 V331 L345T310-C327 WeakPolarHBondContact O-CB 3.46Å; T310-C327 PolarHBondContact O-N 2.77Å; I325-C327 PolarHBondContact O-N 2.82Å; C327-E329 PolarHBondContact O-N 2.84Å; C327-E329 VanDerWaalsContact O-N 3.08Å; C327-V331 HydrophobicContact CB-CG2 4.12Å; C327-L345 HydrophobicContact CB-CD2 3.92Å
328H86.9Confident90.2Very high115 Ų11563.3 Ų63.353%0.53230%0.298SS..SBendtrans56.817.9-178.2-55.5-70.2000115.5V252V252-H328 WeakPolarHBondContact CG1-O 3.44Å
329E89.6Confident90.5Very high56 Ų5662.7 Ų62.726%0.26230%0.295SS..SBendtrans-146.6160.7178-72.1177.1-132.800108.8T310 C327 V331 L345 K348T310-E329 VanDerWaalsContact CA-O 3.29Å; T310-E329 WeakPolarHBondContact CA-O 3.48Å; T310-E329 WeakPolarHBondContact CB-O 3.44Å; C327-E329 PolarHBondContact O-N 2.84Å; C327-E329 VanDerWaalsContact O-N 3.08Å; E329-V331 PolarHBondContact O-N 2.91Å; E329-V331 VanDerWaalsContact O-N 3.13Å; E329-L345 HydrophobicContact CB-CD1 4.35Å; E329-L345 HydrophobicContact CB-CD2 4.12Å; E329-K348 VanDerWaalsContact OE1-CE 3.22Å; E329-K348 WeakPolarHBondContact OE1-CE 3.13Å; E329-K348 IonicContact OE1-NZ 2.94Å; E329-K348 PolarHBondContact OE1-NZ 2.82Å
330L91.1Very high90.9Very high23 Ų2361.9 Ų61.912%0.1228%0.284CS..  trans-60116.4177.6170.865.5000111.1L254 M309 K332 P346L254-L330 HydrophobicContact CD2-CB 4.26Å; L254-L330 HydrophobicContact CD2-CD1 4.32Å; L254-L330 VanDerWaalsContact O-CD2 3.27Å; L254-L330 WeakPolarHBondContact O-CD2 3.46Å; M309-L330 HydrophobicContact CB-CD1 4.23Å; M309-L330 HydrophobicContact CE-CD1 3.48Å; M309-L330 VanDerWaalsContact CE-CD1 3.48Å; L330-K332 HydrophobicContact CD2-CG 4.34Å; L330-K332 HydrophobicContact CG-CG 4.39Å; L330-K332 PolarHBondContact O-N 2.86Å; L330-P346 HydrophobicContact CB-CG 4.11Å; L330-P346 WeakPolarHBondContact O-CD 3.09Å
331V93.6Very high91.5Very high0 Ų055.1 Ų55.10%025%0.252CS..  trans-78111.9171.9176.40000108.8R306 M309 V312 C327 E329 I334 I343 L345R306-V331 HydrophobicContact CB-CG1 4.45Å; R306-V331 WeakPolarHBondContact CD-O 3.49Å; R306-V331 HydrophobicContact CG-CB 3.88Å; R306-V331 HydrophobicContact CG-CG1 4.2Å; R306-V331 PolarHBondContact NH1-O 3.45Å; M309-V331 PolarHBondContact O-N 3.38Å; V312-V331 HydrophobicContact CG2-CB 4.47Å; V312-V331 HydrophobicContact CG2-CG1 3.93Å; V312-V331 HydrophobicContact CG2-CG2 3.84Å; C327-V331 HydrophobicContact CB-CG2 4.12Å; E329-V331 PolarHBondContact O-N 2.91Å; E329-V331 VanDerWaalsContact O-N 3.13Å; V331-I334 HydrophobicContact CG1-CD1 3.87Å; V331-I334 HydrophobicContact CG1-CG1 3.59Å; V331-I343 HydrophobicContact CG1-CG2 3.89Å; V331-I343 HydrophobicContact CG2-CG2 4.02Å; V331-L345 HydrophobicContact CG2-CD2 3.97Å
332K91.9Very high92Very high65 Ų6549.8 Ų49.828%0.28323%0.227SC..  trans-84.1-48.4-178.4-72.9-176172.8175.80112.4V295 L330 Q344V295-K332 WeakPolarHBondContact CG2-O 3.41Å; L330-K332 HydrophobicContact CD2-CG 4.34Å; L330-K332 HydrophobicContact CG-CG 4.39Å; L330-K332 PolarHBondContact O-N 2.86Å; K332-Q344 HydrophobicContact CB-CG 4.23Å; K332-Q344 PolarHBondContact N-O 2.91Å
333K93.5Very high92.3Very high71 Ų7144.3 Ų44.331%0.30920%0.198SC..EExtended strand (participates in β ladder)trans-144.7152.9-178.4-62.7-71.5178.51620110.1Q344 N374 L376K333-Q344 HydrophobicContact CB-CB 4.06Å; K333-Q344 VanDerWaalsContact CB-OE1 3.26Å; K333-Q344 PolarHBondContact O-N 3.12Å; K333-N374 WeakPolarHBondContact CE-O 3.47Å; K333-N374 PolarHBondContact NZ-O 2.98Å; K333-L376 HydrophobicContact CB-CB 3.87Å; K333-L376 HydrophobicContact CB-CD2 3.83Å; K333-L376 HydrophobicContact CG-CB 4.47Å
334I95.7Very high92.5Very high8 Ų842.4 Ų42.44%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-132.1139.1177.5-59.2165.9000107.1V295 A304 R306 V312 V331 L341 A342V295-I334 HydrophobicContact CG1-CB 4.19Å; V295-I334 HydrophobicContact CG1-CD1 3.95Å; V295-I334 HydrophobicContact CG1-CG1 3.81Å; A304-I334 HydrophobicContact CB-CG2 3.77Å; R306-I334 HydrophobicContact CB-CD1 4Å; V312-I334 HydrophobicContact CB-CD1 4.43Å; V312-I334 HydrophobicContact CG1-CD1 3.97Å; V312-I334 HydrophobicContact CG2-CD1 3.78Å; V312-I334 HydrophobicContact CG2-CG1 4.15Å; V331-I334 HydrophobicContact CG1-CD1 3.87Å; V331-I334 HydrophobicContact CG1-CG1 3.59Å; I334-L341 HydrophobicContact CG2-CD1 3.62Å; I334-A342 WeakPolarHBondContact CA-O 3.49Å
335A95.5Very high92.6Very high7 Ų735.8 Ų35.86%0.05816%0.163CC..EExtended strand (participates in β ladder)trans-137.7139169.100000109.2L341 A342 L376 V378A335-L341 CarbonylContact O-C 3.54Å; A335-L341 WeakPolarHBondContact O-CA 3.36Å; A335-A342 HydrophobicContact CB-CB 4.5Å; A335-A342 PolarHBondContact N-O 3.43Å; A335-A342 PolarHBondContact O-N 3.47Å; A335-L376 HydrophobicContact CB-CB 4.48Å; A335-L376 HydrophobicContact CB-CD2 4.21Å; A335-L376 HydrophobicContact CB-CG 3.95Å; A335-L376 WeakPolarHBondContact CB-O 3.21Å; A335-V378 HydrophobicContact CB-CB 4.19Å; A335-V378 HydrophobicContact CB-CG1 3.91Å; A335-V378 WeakPolarHBondContact O-CG1 3.45Å
336I94.1Very high92.5Very high14 Ų1436.2 Ų36.27%0.07217%0.167CC..EExtended strand (participates in β ladder)trans-127.7137.8179.3-173.4167.1000109.3L302 A304 V314 R340 L341L302-I336 HydrophobicContact CB-CD1 3.71Å; L302-I336 HydrophobicContact CD1-CD1 4.22Å; A304-I336 HydrophobicContact CB-CB 4.42Å; A304-I336 HydrophobicContact CB-CD1 4.32Å; A304-I336 HydrophobicContact CB-CG2 4.44Å; V314-I336 HydrophobicContact CG1-CD1 4.21Å; I336-R340 WeakPolarHBondContact CA-O 3.49Å; I336-L341 HydrophobicContact CB-CD1 4.09Å; I336-L341 HydrophobicContact CG1-CD1 4.48Å
337Y92.8Very high92.5Very high4 Ų434.8 Ų34.82%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-154.7121.9176-179.5-105.4000110Y299 N339 R340 V378 V415 G417 E423Y299-Y337 AromaticContact CD2-CD2 3.65Å; Y299-Y337 HydrophobicContact CD2-CD2 3.65Å; Y299-Y337 HydrophobicContact CD2-CE2 4.15Å; Y299-Y337 AromaticContact CE2-CD2 3.46Å; Y299-Y337 HydrophobicContact CE2-CD2 3.46Å; Y299-Y337 VanDerWaalsContact CE2-CD2 3.46Å; Y299-Y337 AromaticContact CE2-CE2 3.49Å; Y299-Y337 HydrophobicContact CE2-CE2 3.49Å; Y299-Y337 VanDerWaalsContact CE2-CE2 3.49Å; Y299-Y337 HydrophobicContact CE2-CG 4.45Å; Y337-N339 PolarHBondContact O-N 3.31Å; Y337-R340 PolarHBondContact N-O 3.32Å; Y337-R340 WeakPolarHBondContact O-CB 3.48Å; Y337-R340 PolarHBondContact O-N 2.73Å; Y337-V378 WeakPolarHBondContact CB-O 3.31Å; Y337-V415 HydrophobicContact CD2-CB 3.99Å; Y337-V415 HydrophobicContact CD2-CG1 3.8Å; Y337-V415 HydrophobicContact CD2-CG2 4.4Å; Y337-V415 HydrophobicContact CE2-CB 3.96Å; Y337-V415 HydrophobicContact CE2-CG1 3.37Å; Y337-G417 WeakPolarHBondContact OH-CA 3.48Å; Y337-E423 HydrophobicContact CE1-CG 4.32Å
338R89.9Confident92.7Very high84 Ų8436.6 Ų36.632%0.31717%0.168SC..THydrogen-bonded Turntrans52.3-125.4-172.8-61.9178.2171.1161.6-3.1109.8Y299 S380 G418Y299-R338 VanDerWaalsContact CD1-N 3.28Å; Y299-R338 VanDerWaalsContact CE1-CA 3.49Å; Y299-R338 HydrophobicContact CE1-CB 4.4Å; Y299-R338 HydrophobicContact CE1-CG 4.11Å; Y299-R338 VanDerWaalsContact CE1-N 3.27Å; Y299-R338 WeakPolarHBondContact OH-CG 3.47Å; R338-S380 PolarHBondContact NH1-OG 3.29Å; R338-G418 PolarHBondContact NH2-O 2.78Å
339N88.6Confident93.1Very high64 Ų6431.1 Ų31.134%0.34214%0.143SC..THydrogen-bonded Turntrans-94.919177.367.2-28000113.1Y337 T353 D354Y337-N339 PolarHBondContact O-N 3.31Å; N339-T353 VanDerWaalsContact O-CA 3.31Å; N339-T353 WeakPolarHBondContact O-CA 3.49Å; N339-D354 HydrophobicContact CB-CB 4.21Å; N339-D354 PolarHBondContact ND2-O 3.4Å; N339-D354 PolarHBondContact O-N 2.88Å; N339-D354 VanDerWaalsContact O-N 3.07Å
340R92.8Very high93.4Very high57 Ų5729 Ų2922%0.21513%0.133CC..EExtended strand (participates in β ladder)trans-112.5133.6179.5-61.1-68.1-171.2-106.111.4110.5I336 Y337 C352 T353 V378 S380I336-R340 WeakPolarHBondContact CA-O 3.49Å; Y337-R340 PolarHBondContact N-O 3.32Å; Y337-R340 WeakPolarHBondContact O-CB 3.48Å; Y337-R340 PolarHBondContact O-N 2.73Å; R340-C352 WeakPolarHBondContact CA-O 3.36Å; R340-T353 WeakPolarHBondContact CD-OG1 3.46Å; R340-T353 PolarHBondContact NH1-OG1 3.44Å; R340-V378 HydrophobicContact CB-CG2 4.06Å; R340-S380 PolarHBondContact NE-O 2.99Å
341L95.3Very high93.5Very high0 Ų027.9 Ų27.90%013%0.128CC..EExtended strand (participates in β ladder)trans-126.4118.6175.5176.372.2000109.2A304 V312 V314 I325 I334 A335 I336 I343 I351 C352 Y361A304-L341 HydrophobicContact CB-CD1 3.77Å; V312-L341 HydrophobicContact CG1-CD2 4.26Å; V314-L341 HydrophobicContact CG2-CD2 3.8Å; I325-L341 HydrophobicContact CD1-CD2 3.47Å; I325-L341 VanDerWaalsContact CD1-CD2 3.47Å; I334-L341 HydrophobicContact CG2-CD1 3.62Å; A335-L341 CarbonylContact O-C 3.54Å; A335-L341 WeakPolarHBondContact O-CA 3.36Å; I336-L341 HydrophobicContact CB-CD1 4.09Å; I336-L341 HydrophobicContact CG1-CD1 4.48Å; L341-I343 HydrophobicContact CD2-CD1 3.9Å; L341-I343 HydrophobicContact CD2-CG1 4.09Å; L341-I343 HydrophobicContact CG-CD1 4.34Å; L341-I343 HydrophobicContact CG-CG1 3.98Å; L341-I351 CarbonylContact O-C 3.55Å; L341-I351 WeakPolarHBondContact O-CA 3.06Å; L341-C352 HydrophobicContact CB-CB 4.22Å; L341-C352 HydrophobicContact CD2-CB 4.45Å; L341-C352 PolarHBondContact N-O 3.02Å; L341-C352 PolarHBondContact O-N 3.39Å; L341-Y361 HydrophobicContact CB-CD1 3.67Å; L341-Y361 HydrophobicContact CB-CE1 3.6Å; L341-Y361 HydrophobicContact CD2-CD1 4.12Å; L341-Y361 HydrophobicContact CD2-CG 4.43Å
342A96.3Very high93.5Very high0 Ų027.9 Ų27.90%013%0.128CC..EExtended strand (participates in β ladder)trans-100.1124.7172.200000110.1I334 A335 I349 N350 L376 V378I334-A342 WeakPolarHBondContact CA-O 3.49Å; A335-A342 HydrophobicContact CB-CB 4.5Å; A335-A342 PolarHBondContact N-O 3.43Å; A335-A342 PolarHBondContact O-N 3.47Å; A342-I349 HydrophobicContact CB-CG2 4.31Å; A342-N350 WeakPolarHBondContact CA-O 3.18Å; A342-L376 HydrophobicContact CB-CD2 4.28Å; A342-V378 HydrophobicContact CB-CB 3.8Å; A342-V378 HydrophobicContact CB-CG1 4.39Å; A342-V378 HydrophobicContact CB-CG2 3.95Å
343I96.4Very high93.5Very high1 Ų125.3 Ų25.31%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-116.2109.2178.4-53.4173.7000107.8V312 I325 V331 L341 L345 I349 N350V312-I343 HydrophobicContact CB-CD1 4.11Å; V312-I343 HydrophobicContact CG1-CD1 4.4Å; V312-I343 HydrophobicContact CG2-CD1 3.82Å; V312-I343 HydrophobicContact CG2-CG1 4.14Å; V312-I343 HydrophobicContact CG2-CG2 3.91Å; I325-I343 HydrophobicContact CD1-CD1 4.4Å; I325-I343 HydrophobicContact CG2-CD1 4.32Å; V331-I343 HydrophobicContact CG1-CG2 3.89Å; V331-I343 HydrophobicContact CG2-CG2 4.02Å; L341-I343 HydrophobicContact CD2-CD1 3.9Å; L341-I343 HydrophobicContact CD2-CG1 4.09Å; L341-I343 HydrophobicContact CG-CD1 4.34Å; L341-I343 HydrophobicContact CG-CG1 3.98Å; I343-L345 HydrophobicContact CG2-CD2 4.01Å; I343-L345 HydrophobicContact CG2-CG 4.45Å; I343-I349 WeakPolarHBondContact O-CA 3.1Å; I343-N350 PolarHBondContact N-O 2.96Å; I343-N350 PolarHBondContact O-N 3.34Å
344Q95.2Very high93.1Very high5 Ų522.7 Ų22.72%0.02311%0.107CC..EExtended strand (participates in β ladder)trans-82.4118.8174.7-176.6-170.518.100110K332 K333 I349 F371 C373 L376K332-Q344 HydrophobicContact CB-CG 4.23Å; K332-Q344 PolarHBondContact N-O 2.91Å; K333-Q344 HydrophobicContact CB-CB 4.06Å; K333-Q344 VanDerWaalsContact CB-OE1 3.26Å; K333-Q344 PolarHBondContact O-N 3.12Å; Q344-I349 HydrophobicContact CB-CG1 4.34Å; Q344-I349 HydrophobicContact CG-CG1 4.2Å; Q344-F371 PolarHBondContact NE2-O 2.87Å; Q344-C373 PolarHBondContact OE1-SG 3.03Å; Q344-C373 VanDerWaalsContact OE1-SG 3.41Å; Q344-L376 HydrophobicContact CB-CD2 3.97Å
345L93.5Very high92Very high2 Ų226.3 Ų26.31%0.0113%0.127CC..  trans-101.5177.3171.2-57.6178.1000109.3C327 E329 V331 I343 E347 K348C327-L345 HydrophobicContact CB-CD2 3.92Å; E329-L345 HydrophobicContact CB-CD1 4.35Å; E329-L345 HydrophobicContact CB-CD2 4.12Å; V331-L345 HydrophobicContact CG2-CD2 3.97Å; I343-L345 HydrophobicContact CG2-CD2 4.01Å; I343-L345 HydrophobicContact CG2-CG 4.45Å; L345-E347 PolarHBondContact O-N 3.31Å; L345-K348 CarbonylContact C-O 3.57Å; L345-K348 WeakPolarHBondContact CA-O 3.21Å; L345-K348 HydrophobicContact CB-CG 4.03Å; L345-K348 WeakPolarHBondContact CB-O 3.3Å; L345-K348 HydrophobicContact CD1-CD 4.33Å; L345-K348 HydrophobicContact CD1-CG 4.01Å; L345-K348 PolarHBondContact N-O 2.86Å
346P90.3Very high90.4Very high29 Ų2933.4 Ų33.419%0.18816%0.163CC..SBendtrans-61.9-41-175.1-26.138.1000114.1L330L330-P346 HydrophobicContact CB-CG 4.11Å; L330-P346 WeakPolarHBondContact O-CD 3.09Å
347E90.2Very high88.8Confident109 Ų10938.2 Ų38.251%0.50920%0.198SC..SBendtrans-116.2-0.8-173.2-60.3-55.4137.500113.8L345 K369L345-E347 PolarHBondContact O-N 3.31Å; E347-K369 CarbonylContact C-O 3.5Å; E347-K369 CarbonylContact O-C 3.59Å; E347-K369 PolarHBondContact O-N 3.05Å
348K93.5Very high87.3Confident54 Ų5441.9 Ų41.924%0.23522%0.22CC..  trans-155.5164.6-177.565.5-168.9172.3-153.90113.1E329 L345 I367E329-K348 VanDerWaalsContact OE1-CE 3.22Å; E329-K348 WeakPolarHBondContact OE1-CE 3.13Å; E329-K348 IonicContact OE1-NZ 2.94Å; E329-K348 PolarHBondContact OE1-NZ 2.82Å; L345-K348 CarbonylContact C-O 3.57Å; L345-K348 WeakPolarHBondContact CA-O 3.21Å; L345-K348 HydrophobicContact CB-CG 4.03Å; L345-K348 WeakPolarHBondContact CB-O 3.3Å; L345-K348 HydrophobicContact CD1-CD 4.33Å; L345-K348 HydrophobicContact CD1-CG 4.01Å; L345-K348 PolarHBondContact N-O 2.86Å; K348-I367 CarbonylContact C-O 3.59Å; K348-I367 WeakPolarHBondContact CA-O 3.07Å; K348-I367 VanDerWaalsContact CB-O 3.31Å; K348-I367 WeakPolarHBondContact CB-O 3.49Å
349I95.5Very high86.6Confident1 Ų138.8 Ų38.81%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-117.4119.8167.3-56.8176.4000107.8A342 I343 Q344 I367 F371 V383 L385A342-I349 HydrophobicContact CB-CG2 4.31Å; I343-I349 WeakPolarHBondContact O-CA 3.1Å; Q344-I349 HydrophobicContact CB-CG1 4.34Å; Q344-I349 HydrophobicContact CG-CG1 4.2Å; I349-I367 HydrophobicContact CB-CB 4.33Å; I349-I367 PolarHBondContact N-O 3Å; I349-I367 PolarHBondContact O-N 3.46Å; I349-F371 HydrophobicContact CD1-CD2 3.64Å; I349-F371 HydrophobicContact CD1-CE2 4.11Å; I349-F371 HydrophobicContact CD1-CG 4.4Å; I349-F371 HydrophobicContact CG1-CD2 4.08Å; I349-V383 HydrophobicContact CD1-CG1 4.33Å; I349-L385 HydrophobicContact CD1-CD2 4Å
350N95.1Very high86.2Confident10 Ų1039.9 Ų39.95%0.05321%0.213CC..EExtended strand (participates in β ladder)trans-89.6133.2171-69.2-13.5000108.6A342 I343 I363A342-N350 WeakPolarHBondContact CA-O 3.18Å; I343-N350 PolarHBondContact N-O 2.96Å; I343-N350 PolarHBondContact O-N 3.34Å; N350-I363 HydrophobicContact CB-CG2 4.42Å
351I95.1Very high85.9Confident0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-109.6121.4173-61.3151000106.7L341 T364 D365 I367 V383 F396L341-I351 CarbonylContact O-C 3.55Å; L341-I351 WeakPolarHBondContact O-CA 3.06Å; I351-T364 PolarHBondContact O-N 3.42Å; I351-T364 PolarHBondContact O-OG1 3.36Å; I351-D365 HydrophobicContact CB-CB 4.11Å; I351-D365 HydrophobicContact CD1-CB 3.89Å; I351-D365 PolarHBondContact N-O 3.12Å; I351-D365 PolarHBondContact O-N 3.38Å; I351-I367 HydrophobicContact CD1-CD1 4.12Å; I351-I367 HydrophobicContact CD1-CG1 4.31Å; I351-V383 HydrophobicContact CD1-CG2 4.1Å; I351-V383 HydrophobicContact CG1-CG2 4.24Å; I351-F396 HydrophobicContact CD1-CB 3.7Å; I351-F396 HydrophobicContact CD1-CD1 3.3Å; I351-F396 HydrophobicContact CD1-CD2 4.32Å; I351-F396 HydrophobicContact CD1-CE1 3.92Å; I351-F396 HydrophobicContact CD1-CG 3.53Å; I351-F396 HydrophobicContact CG1-CD1 4.28Å; I351-F396 HydrophobicContact CG1-CE1 4.45Å; I351-F396 HydrophobicContact CG2-CD2 4.4Å; I351-F396 HydrophobicContact CG2-CE1 4.33Å; I351-F396 HydrophobicContact CG2-CE2 4.14Å; I351-F396 HydrophobicContact CG2-CZ 4.1Å
352C93.2Very high85.6Confident1 Ų144.9 Ų44.91%0.00723%0.232CC..EExtended strand (participates in β ladder)trans-108.2142.9176.9-51.30000110.3R340 L341 Y361 R362R340-C352 WeakPolarHBondContact CA-O 3.36Å; L341-C352 HydrophobicContact CB-CB 4.22Å; L341-C352 HydrophobicContact CD2-CB 4.45Å; L341-C352 PolarHBondContact N-O 3.02Å; L341-C352 PolarHBondContact O-N 3.39Å; C352-Y361 HydrophobicContact CB-CD1 4Å; C352-R362 CarbonylContact C-O 3.59Å; C352-R362 WeakPolarHBondContact CA-O 3.42Å; C352-R362 WeakPolarHBondContact CB-O 3.45Å
353T90.6Very high85.2Confident11 Ų1148.9 Ų48.97%0.06725%0.252CS..EExtended strand (participates in β ladder)trans-120.8140.3176.3-64.70000109.7N339 R340 Y361 R362 T364N339-T353 VanDerWaalsContact O-CA 3.31Å; N339-T353 WeakPolarHBondContact O-CA 3.49Å; R340-T353 WeakPolarHBondContact CD-OG1 3.46Å; R340-T353 PolarHBondContact NH1-OG1 3.44Å; T353-Y361 WeakPolarHBondContact O-CA 3.35Å; T353-R362 PolarHBondContact N-O 2.89Å; T353-R362 PolarHBondContact O-N 3.37Å; T353-T364 VanDerWaalsContact CB-CG2 3.48Å; T353-T364 HydrophobicContact CG2-CG2 4.47Å; T353-T364 WeakPolarHBondContact OG1-CG2 3.29Å; T353-T364 PolarHBondContact OG1-OG1 2.84Å
354D86.4Confident84.9Confident16 Ų1652.1 Ų52.19%0.08627%0.272CS..EExtended strand (participates in β ladder)trans-95129.7169.6-179.232.6000110.8N339 M359 E360 Y361N339-D354 HydrophobicContact CB-CB 4.21Å; N339-D354 PolarHBondContact ND2-O 3.4Å; N339-D354 PolarHBondContact O-N 2.88Å; N339-D354 VanDerWaalsContact O-N 3.07Å; D354-M359 PolarHBondContact OD1-N 3.41Å; D354-E360 PolarHBondContact OD1-N 3.48Å; D354-Y361 HydrophobicContact CB-CD1 4.24Å; D354-Y361 HydrophobicContact CB-CD2 4.23Å; D354-Y361 HydrophobicContact CB-CE1 4.05Å; D354-Y361 HydrophobicContact CB-CE2 4.02Å; D354-Y361 HydrophobicContact CB-CG 4.33Å
355D72Confident84.8Confident84 Ų8454.9 Ų54.945%0.44929%0.287SS..SBendtrans-93.291-178.9-71.8-25.6000109.1T358 R362D355-T358 PolarHBondContact O-OG1 2.99Å; D355-R362 IonicContact OD2-NH1 3.02Å
356L61.3Low84.8Confident156 Ų15660.8 Ų60.882%0.81731%0.313SS*.SBendtrans62.662168.9-61.9163.8000116.6T358L356-T358 PolarHBondContact O-N 3.26Å; L356-T358 VanDerWaalsContact O-N 3.09Å
357S61.4Low85Confident115 Ų11559.6 Ų59.680%0.80431%0.305SS*.SBendtrans63.612.8162.660.40000117M359S357-M359 VanDerWaalsContact C-N 3.32Å
358T61.4Low85.1Confident80 Ų8059 Ų5949%0.49131%0.312SS..SBendtrans-88.44.2175.352.10000113.4D355 L356 E360D355-T358 PolarHBondContact O-OG1 2.99Å; L356-T358 PolarHBondContact O-N 3.26Å; L356-T358 VanDerWaalsContact O-N 3.09Å; T358-E360 VanDerWaalsContact C-N 3.26Å; T358-E360 PolarHBondContact O-N 3.38Å
359M73.9Confident84.8Confident20 Ų2061.9 Ų61.910%0.09932%0.324CS..  trans58.736.7-176.4-82.6-104.1161.400112.3L302 V314 D316 L323 D354 S357L302-M359 HydrophobicContact CD2-CE 3.07Å; L302-M359 HydrophobicContact CG-CE 4.48Å; V314-M359 HydrophobicContact CG1-SD 4.32Å; D316-M359 HydrophobicContact CB-CE 3.59Å; D316-M359 HydrophobicContact CB-SD 4.47Å; L323-M359 WeakPolarHBondContact CD2-O 3.37Å; D354-M359 PolarHBondContact OD1-N 3.41Å; S357-M359 VanDerWaalsContact C-N 3.32Å
360E81.7Confident84.5Confident87 Ų8767.7 Ų67.741%0.40735%0.35SS..  trans-109.280-179.4-71.8-168.1-16800111.3D354 T358 R362D354-E360 PolarHBondContact OD1-N 3.48Å; T358-E360 VanDerWaalsContact C-N 3.26Å; T358-E360 PolarHBondContact O-N 3.38Å; E360-R362 PolarHBondContact O-N 3.48Å; E360-R362 IonicContact OE2-CZ 2.93Å; E360-R362 IonicContact OE2-NE 2.66Å; E360-R362 IonicContact OE2-NH2 2.93Å; E360-R362 PolarHBondContact OE2-NH2 2.93Å
361Y86Confident84.2Confident18 Ų1868.8 Ų68.87%0.07135%0.354CS..EExtended strand (participates in β ladder)trans-73.1117.1176.8-76.8-94.4000111.9V314 L323 I325 L341 C352 T353 D354V314-Y361 HydrophobicContact CB-CD2 4.47Å; V314-Y361 HydrophobicContact CB-CE2 4.33Å; V314-Y361 HydrophobicContact CG1-CD2 4.42Å; V314-Y361 HydrophobicContact CG1-CE2 3.8Å; V314-Y361 HydrophobicContact CG2-CD2 4.24Å; V314-Y361 HydrophobicContact CG2-CE2 4.29Å; L323-Y361 HydrophobicContact CD2-CD2 3.8Å; L323-Y361 HydrophobicContact CD2-CG 4.23Å; I325-Y361 HydrophobicContact CD1-CG 4.38Å; L341-Y361 HydrophobicContact CB-CD1 3.67Å; L341-Y361 HydrophobicContact CB-CE1 3.6Å; L341-Y361 HydrophobicContact CD2-CD1 4.12Å; L341-Y361 HydrophobicContact CD2-CG 4.43Å; C352-Y361 HydrophobicContact CB-CD1 4Å; T353-Y361 WeakPolarHBondContact O-CA 3.35Å; D354-Y361 HydrophobicContact CB-CD1 4.24Å; D354-Y361 HydrophobicContact CB-CD2 4.23Å; D354-Y361 HydrophobicContact CB-CE1 4.05Å; D354-Y361 HydrophobicContact CB-CE2 4.02Å; D354-Y361 HydrophobicContact CB-CG 4.33Å
362R87.9Confident83.8Confident143 Ų14374.7 Ų74.754%0.5438%0.381SS..EExtended strand (participates in β ladder)trans-114143.2174.5-62.3177.5-175174.42.3110.5C352 T353 D355 E360 T364C352-R362 CarbonylContact C-O 3.59Å; C352-R362 WeakPolarHBondContact CA-O 3.42Å; C352-R362 WeakPolarHBondContact CB-O 3.45Å; T353-R362 PolarHBondContact N-O 2.89Å; T353-R362 PolarHBondContact O-N 3.37Å; D355-R362 IonicContact OD2-NH1 3.02Å; E360-R362 PolarHBondContact O-N 3.48Å; E360-R362 IonicContact OE2-CZ 2.93Å; E360-R362 IonicContact OE2-NE 2.66Å; E360-R362 IonicContact OE2-NH2 2.93Å; E360-R362 PolarHBondContact OE2-NH2 2.93Å; R362-T364 PolarHBondContact O-N 3.42Å
363I89.7Confident83.6Confident84 Ų8475.5 Ų75.543%0.43139%0.387SS..EExtended strand (participates in β ladder)trans-69.6114.7178.3-57.6168.9000108.5N350 K366N350-I363 HydrophobicContact CB-CG2 4.42Å; I363-K366 HydrophobicContact CG2-CD 4.43Å; I363-K366 HydrophobicContact CG2-CG 3.92Å
364T90.2Very high83.6Confident70 Ų7078.9 Ų78.943%0.42941%0.405SS..EExtended strand (participates in β ladder)trans-94.6-45.4176.354.80000111.6I351 T353 R362I351-T364 PolarHBondContact O-N 3.42Å; I351-T364 PolarHBondContact O-OG1 3.36Å; T353-T364 VanDerWaalsContact CB-CG2 3.48Å; T353-T364 HydrophobicContact CG2-CG2 4.47Å; T353-T364 WeakPolarHBondContact OG1-CG2 3.29Å; T353-T364 PolarHBondContact OG1-OG1 2.84Å; R362-T364 PolarHBondContact O-N 3.42Å
365D92.2Very high83.9Confident62 Ų6280.9 Ų80.933%0.33242%0.415SS..EExtended strand (participates in β ladder)trans-131.9152.1-172.5-53-92.2000111.4I351 F396I351-D365 HydrophobicContact CB-CB 4.11Å; I351-D365 HydrophobicContact CD1-CB 3.89Å; I351-D365 PolarHBondContact N-O 3.12Å; I351-D365 PolarHBondContact O-N 3.38Å; D365-F396 HydrophobicContact CB-CB 4.09Å
366K93.8Very high85Confident127 Ų12777.6 Ų77.655%0.55240%0.398SS*.EExtended strand (participates in β ladder)trans-136.6119.3179.7-64179.3-176.6167.50110.2I363I363-K366 HydrophobicContact CG2-CD 4.43Å; I363-K366 HydrophobicContact CG2-CG 3.92Å
367I94.1Very high86.6Confident3 Ų370.9 Ų70.92%0.01536%0.363CS..EExtended strand (participates in β ladder)trans-96.798.8172.5-52.8172000108.4K348 I349 I351 K369 F371 V383 F396K348-I367 CarbonylContact C-O 3.59Å; K348-I367 WeakPolarHBondContact CA-O 3.07Å; K348-I367 VanDerWaalsContact CB-O 3.31Å; K348-I367 WeakPolarHBondContact CB-O 3.49Å; I349-I367 HydrophobicContact CB-CB 4.33Å; I349-I367 PolarHBondContact N-O 3Å; I349-I367 PolarHBondContact O-N 3.46Å; I351-I367 HydrophobicContact CD1-CD1 4.12Å; I351-I367 HydrophobicContact CD1-CG1 4.31Å; I367-K369 VanDerWaalsContact C-N 3.29Å; I367-K369 PolarHBondContact O-N 2.66Å; I367-F371 HydrophobicContact CB-CE2 4.49Å; I367-F371 HydrophobicContact CG2-CE2 3.59Å; I367-F371 HydrophobicContact CG2-CZ 4Å; I367-V383 HydrophobicContact CD1-CG2 4.43Å; I367-F396 VanDerWaalsContact CG1-O 3.28Å; I367-F396 WeakPolarHBondContact CG1-O 3.49Å
368C91.4Very high88.2Confident98 Ų9865.6 Ų65.666%0.66233%0.326SS*.  trans-8366.1-178.3-62.50000112.2
369K88.6Confident89.8Confident113 Ų11361.8 Ų61.849%0.49130%0.302SS..SBendtrans-141.1144.6173.6-68.9178.4-175.7169.30109.9E347 I367 F371 G398E347-K369 CarbonylContact C-O 3.5Å; E347-K369 CarbonylContact O-C 3.59Å; E347-K369 PolarHBondContact O-N 3.05Å; I367-K369 VanDerWaalsContact C-N 3.29Å; I367-K369 PolarHBondContact O-N 2.66Å; K369-F371 HydrophobicContact CB-CD2 4.27Å; K369-F371 HydrophobicContact CB-CE1 4.4Å; K369-F371 HydrophobicContact CB-CE2 3.6Å; K369-F371 HydrophobicContact CB-CZ 3.67Å; K369-F371 HydrophobicContact CD-CZ 4.06Å; K369-F371 HydrophobicContact CG-CZ 4.47Å; K369-F371 WeakPolarHBondContact O-CD2 3.49Å; K369-F371 PolarHBondContact O-N 2.86Å; K369-G398 PolarHBondContact NZ-O 3.44Å
370K89.3Confident90.7Very high124 Ų12461.5 Ų61.554%0.53930%0.302SS..  trans-72.2121.9171.1-174.7174.3177.5179.90110
371F87.3Confident91.1Very high32 Ų3262.3 Ų62.314%0.1431%0.306CS..  trans-124.1143.1174.4-63.3-74.3000110.8Q344 I349 I367 K369 L385 L394Q344-F371 PolarHBondContact NE2-O 2.87Å; I349-F371 HydrophobicContact CD1-CD2 3.64Å; I349-F371 HydrophobicContact CD1-CE2 4.11Å; I349-F371 HydrophobicContact CD1-CG 4.4Å; I349-F371 HydrophobicContact CG1-CD2 4.08Å; I367-F371 HydrophobicContact CB-CE2 4.49Å; I367-F371 HydrophobicContact CG2-CE2 3.59Å; I367-F371 HydrophobicContact CG2-CZ 4Å; K369-F371 HydrophobicContact CB-CD2 4.27Å; K369-F371 HydrophobicContact CB-CE1 4.4Å; K369-F371 HydrophobicContact CB-CE2 3.6Å; K369-F371 HydrophobicContact CB-CZ 3.67Å; K369-F371 HydrophobicContact CD-CZ 4.06Å; K369-F371 HydrophobicContact CG-CZ 4.47Å; K369-F371 WeakPolarHBondContact O-CD2 3.49Å; K369-F371 PolarHBondContact O-N 2.86Å; F371-L385 HydrophobicContact CB-CD1 3.81Å; F371-L385 HydrophobicContact CD1-CD1 3.31Å; F371-L385 HydrophobicContact CD2-CD1 4.22Å; F371-L385 HydrophobicContact CE1-CD1 3.85Å; F371-L385 HydrophobicContact CG-CD1 3.52Å; F371-L385 HydrophobicContact CZ-CD1 4.48Å; F371-L394 HydrophobicContact CD1-CD1 4.43Å; F371-L394 HydrophobicContact CE1-CD1 3.77Å; F371-L394 HydrophobicContact CE2-CD1 4.24Å; F371-L394 HydrophobicContact CZ-CD1 3.65Å
372E87.4Confident91.5Very high124 Ų12462 Ų6258%0.57931%0.305SS*.  trans-114125.4168.4-65-168170.400108.9
373C89.1Confident91.9Very high19 Ų1955.2 Ų55.213%0.12828%0.28CS..  trans-145.5145.6177.266.90000111.4Q344 L385 C386Q344-C373 PolarHBondContact OE1-SG 3.03Å; Q344-C373 VanDerWaalsContact OE1-SG 3.41Å; C373-L385 HydrophobicContact CB-CB 4.23Å; C373-L385 HydrophobicContact CB-CD2 4.32Å; C373-C386 CarbonylContact C-O 3.54Å; C373-C386 VanDerWaalsContact CA-O 3.29Å; C373-C386 WeakPolarHBondContact CA-O 3.3Å; C373-C386 VanDerWaalsContact CB-O 3.31Å; C373-C386 WeakPolarHBondContact CB-O 3.3Å
374N90.4Very high92.1Very high82 Ų8251.2 Ų51.244%0.43926%0.259SS..SBendtrans-74.8-44.1171.6-59.387000110.3K333 C386 Q387 E388K333-N374 WeakPolarHBondContact CE-O 3.47Å; K333-N374 PolarHBondContact NZ-O 2.98Å; N374-C386 PolarHBondContact N-O 3.07Å; N374-Q387 WeakPolarHBondContact OD1-CA 3.39Å; N374-E388 PolarHBondContact OD1-N 2.9Å
375L92.4Very high92.4Very high57 Ų5748.1 Ų48.130%0.29824%0.24SC..EExtended strand (participates in β ladder)trans-129.3139.3179.6-54169.6000109.3C386 I410 I413L375-C386 HydrophobicContact CB-CB 3.82Å; L375-C386 PolarHBondContact N-O 3.3Å; L375-C386 WeakPolarHBondContact O-CB 3.4Å; L375-C386 PolarHBondContact O-N 3.12Å; L375-I410 HydrophobicContact CD1-CG2 4.45Å; L375-I413 HydrophobicContact CB-CD1 4.13Å; L375-I413 HydrophobicContact CD1-CB 4.43Å; L375-I413 HydrophobicContact CD1-CD1 3.72Å; L375-I413 HydrophobicContact CD1-CG1 3.84Å
376L95.3Very high92.5Very high16 Ų1645.2 Ų45.28%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-115.5133.7175.517867.6000107.8K333 A335 A342 Q344 V383 L385K333-L376 HydrophobicContact CB-CB 3.87Å; K333-L376 HydrophobicContact CB-CD2 3.83Å; K333-L376 HydrophobicContact CG-CB 4.47Å; A335-L376 HydrophobicContact CB-CB 4.48Å; A335-L376 HydrophobicContact CB-CD2 4.21Å; A335-L376 HydrophobicContact CB-CG 3.95Å; A335-L376 WeakPolarHBondContact CB-O 3.21Å; A342-L376 HydrophobicContact CB-CD2 4.28Å; Q344-L376 HydrophobicContact CB-CD2 3.97Å; L376-V383 HydrophobicContact CD1-CG1 3.56Å; L376-L385 HydrophobicContact CD1-CD2 3.48Å; L376-L385 VanDerWaalsContact CD1-CD2 3.48Å
377V94.9Very high92.5Very high15 Ų1543.3 Ų43.39%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-132.7140.8175.8174.20000108.8I384 I413 V415 L425V377-I384 HydrophobicContact CB-CB 4.13Å; V377-I384 HydrophobicContact CG1-CD1 4.16Å; V377-I384 PolarHBondContact N-O 3.41Å; V377-I384 PolarHBondContact O-N 2.86Å; V377-I413 HydrophobicContact CG2-CB 4.29Å; V377-I413 HydrophobicContact CG2-CG2 3.88Å; V377-V415 HydrophobicContact CG1-CG2 3.25Å; V377-L425 HydrophobicContact CG1-CD2 4.36Å
378V95.4Very high92.4Very high3 Ų348.5 Ų48.52%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-116.7143.9173.967.70000109.7A335 Y337 R340 A342 V383 F396A335-V378 HydrophobicContact CB-CB 4.19Å; A335-V378 HydrophobicContact CB-CG1 3.91Å; A335-V378 WeakPolarHBondContact O-CG1 3.45Å; Y337-V378 WeakPolarHBondContact CB-O 3.31Å; R340-V378 HydrophobicContact CB-CG2 4.06Å; A342-V378 HydrophobicContact CB-CB 3.8Å; A342-V378 HydrophobicContact CB-CG1 4.39Å; A342-V378 HydrophobicContact CB-CG2 3.95Å; V378-V383 HydrophobicContact CG2-CG2 4.46Å; V378-F396 HydrophobicContact CG2-CE1 4.39Å; V378-F396 HydrophobicContact CG2-CZ 4.48Å
379C94.6Very high92.5Very high0 Ų048.4 Ų48.40%023%0.23CC..  trans-125.6-174.8176.5-68.80000108.8Q381 H382 I439C379-Q381 VanDerWaalsContact C-N 3.27Å; C379-Q381 PolarHBondContact O-N 3.29Å; C379-H382 HydrophobicContact CB-CB 4.43Å; C379-H382 PolarHBondContact N-O 3.38Å; C379-I439 HydrophobicContact CB-CD1 3.74Å; C379-I439 WeakPolarHBondContact SG-CD1 3.46Å
380S92Very high92.8Very high15 Ų1548.8 Ų48.811%0.10523%0.228CC..SBendtrans-62.4-34.1-174-45.40000113.1R338 R340 F396 E423R338-S380 PolarHBondContact NH1-OG 3.29Å; R340-S380 PolarHBondContact NE-O 2.99Å; S380-F396 WeakPolarHBondContact O-CE2 3.32Å; S380-E423 WeakPolarHBondContact CB-OE1 3.3Å; S380-E423 PolarHBondContact N-OE1 3.2Å; S380-E423 PolarHBondContact OG-OE1 2.73Å
381Q91.3Very high93.1Very high103 Ų10342.9 Ų42.948%0.48120%0.203SC..SBendtrans-133.42.2-177.9-62.1-1686.600114.6C379 F396 C421C379-Q381 VanDerWaalsContact C-N 3.27Å; C379-Q381 PolarHBondContact O-N 3.29Å; Q381-F396 VanDerWaalsContact C-CZ 3.47Å; Q381-F396 WeakPolarHBondContact O-CD1 3.41Å; Q381-C421 PolarHBondContact OE1-SG 3.37Å
382H94.4Very high93.4Very high12 Ų1243.3 Ų43.36%0.05621%0.205CC..EExtended strand (participates in β ladder)trans-133.8150.3-172.8-57.693.4000112C379 L394 F396 E401C379-H382 HydrophobicContact CB-CB 4.43Å; C379-H382 PolarHBondContact N-O 3.38Å; H382-L394 CarbonylContact C-O 3.56Å; H382-L394 VanDerWaalsContact CA-O 3.25Å; H382-L394 WeakPolarHBondContact CA-O 3.3Å; H382-F396 VanDerWaalsContact N-CE1 3.33Å; H382-E401 IonicContact CD2-OE2 3.99Å; H382-E401 IonicContact NE2-OE1 2.8Å; H382-E401 IonicContact NE2-OE2 3.38Å; H382-E401 PolarHBondContact NE2-OE2 2.68Å; H382-E401 VanDerWaalsContact NE2-OE2 3.1Å
383V95.1Very high93.8Very high0 Ų037.5 Ų37.50%018%0.178CC..EExtended strand (participates in β ladder)trans-110.8130166.9177.90000108I349 I351 I367 L376 V378 L385 L394 F396I349-V383 HydrophobicContact CD1-CG1 4.33Å; I351-V383 HydrophobicContact CD1-CG2 4.1Å; I351-V383 HydrophobicContact CG1-CG2 4.24Å; I367-V383 HydrophobicContact CD1-CG2 4.43Å; L376-V383 HydrophobicContact CD1-CG1 3.56Å; V378-V383 HydrophobicContact CG2-CG2 4.46Å; V383-L385 HydrophobicContact CG1-CD2 4.06Å; V383-L394 PolarHBondContact N-O 2.86Å; V383-L394 PolarHBondContact O-N 2.79Å; V383-F396 HydrophobicContact CG2-CD1 4.01Å; V383-F396 HydrophobicContact CG2-CE1 3.88Å
384I95.4Very high94Very high1 Ų136.9 Ų36.91%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-109.2122.9178.6-61.9147.1000109V377 L391 Q392 L425 I439V377-I384 HydrophobicContact CB-CB 4.13Å; V377-I384 HydrophobicContact CG1-CD1 4.16Å; V377-I384 PolarHBondContact N-O 3.41Å; V377-I384 PolarHBondContact O-N 2.86Å; I384-L391 HydrophobicContact CG2-CD2 4.02Å; I384-Q392 CarbonylContact C-O 3.51Å; I384-Q392 VanDerWaalsContact CA-O 3.27Å; I384-Q392 WeakPolarHBondContact CA-O 3.28Å; I384-L425 HydrophobicContact CD1-CD1 3.44Å; I384-L425 VanDerWaalsContact CD1-CD1 3.44Å; I384-L425 HydrophobicContact CD1-CD2 3.57Å; I384-L425 HydrophobicContact CD1-CG 4.05Å; I384-L425 HydrophobicContact CG1-CD1 4.35Å; I384-L425 HydrophobicContact CG2-CD1 4.49Å; I384-I439 HydrophobicContact CD1-CD1 4.02Å; I384-I439 HydrophobicContact CD1-CG1 4.3Å
385L95Very high94.2Very high5 Ų533.8 Ų33.83%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-104.7125.4177.4-57.3-179.4000109.5I349 F371 C373 L376 V383 L391 Q392 L394I349-L385 HydrophobicContact CD1-CD2 4Å; F371-L385 HydrophobicContact CB-CD1 3.81Å; F371-L385 HydrophobicContact CD1-CD1 3.31Å; F371-L385 HydrophobicContact CD2-CD1 4.22Å; F371-L385 HydrophobicContact CE1-CD1 3.85Å; F371-L385 HydrophobicContact CG-CD1 3.52Å; F371-L385 HydrophobicContact CZ-CD1 4.48Å; C373-L385 HydrophobicContact CB-CB 4.23Å; C373-L385 HydrophobicContact CB-CD2 4.32Å; L376-L385 HydrophobicContact CD1-CD2 3.48Å; L376-L385 VanDerWaalsContact CD1-CD2 3.48Å; V383-L385 HydrophobicContact CG1-CD2 4.06Å; L385-L391 CarbonylContact O-C 3.57Å; L385-L391 WeakPolarHBondContact O-CA 3.47Å; L385-Q392 HydrophobicContact CB-CB 4.48Å; L385-Q392 PolarHBondContact N-O 2.73Å; L385-Q392 PolarHBondContact O-N 3.31Å; L385-L394 HydrophobicContact CD1-CD1 3.37Å; L385-L394 HydrophobicContact CG-CD1 3.86Å
386C94.7Very high94.2Very high1 Ų132.2 Ų32.21%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-104.1123.2173.7-177.30000110.6C373 N374 L375 R390 L391 I413C373-C386 CarbonylContact C-O 3.54Å; C373-C386 VanDerWaalsContact CA-O 3.29Å; C373-C386 WeakPolarHBondContact CA-O 3.3Å; C373-C386 VanDerWaalsContact CB-O 3.31Å; C373-C386 WeakPolarHBondContact CB-O 3.3Å; N374-C386 PolarHBondContact N-O 3.07Å; L375-C386 HydrophobicContact CB-CB 3.82Å; L375-C386 PolarHBondContact N-O 3.3Å; L375-C386 WeakPolarHBondContact O-CB 3.4Å; L375-C386 PolarHBondContact O-N 3.12Å; C386-R390 WeakPolarHBondContact CA-O 3.44Å; C386-L391 HydrophobicContact CB-CD2 3.6Å; C386-I413 HydrophobicContact CB-CD1 3.57Å
387Q93.5Very high94Very high86 Ų8635.6 Ų35.640%0.40218%0.179SC..EExtended strand (participates in β ladder)trans-126.8107.1172.1-168.8177.813.900109.4N374 K389 R390N374-Q387 WeakPolarHBondContact OD1-CA 3.39Å; Q387-K389 PolarHBondContact O-N 3.1Å; Q387-R390 PolarHBondContact N-O 3.46Å; Q387-R390 PolarHBondContact O-N 3.4Å
388E92.4Very high93.7Very high112 Ų11234.9 Ų34.952%0.52318%0.175SC..THydrogen-bonded Turntrans50.6-97.1-175.5-57.8-17617100113.8N374 I410N374-E388 PolarHBondContact OD1-N 2.9Å; E388-I410 WeakPolarHBondContact O-CB 3.06Å; E388-I410 PolarHBondContact O-N 3.4Å
389K94.6Very high93.6Very high96 Ų9638.9 Ų38.942%0.41720%0.199SC..THydrogen-bonded Turntrans-101.6-0.9179.565177.4178.2-179.90114Q387 V405 M406Q387-K389 PolarHBondContact O-N 3.1Å; K389-V405 HydrophobicContact CD-CG1 4.23Å; K389-V405 HydrophobicContact CG-CG1 4.27Å; K389-M406 PolarHBondContact O-N 3.18Å
390R94.5Very high93.5Very high121 Ų12144.2 Ų44.246%0.45722%0.223SC..EExtended strand (participates in β ladder)trans-108.1135.5-174.5-58.3-172.6174.7177.30.1111.1C386 Q387 W404 V405C386-R390 WeakPolarHBondContact CA-O 3.44Å; Q387-R390 PolarHBondContact N-O 3.46Å; Q387-R390 PolarHBondContact O-N 3.4Å; R390-W404 CarbonylContact C-O 3.51Å; R390-W404 WeakPolarHBondContact CA-O 3.13Å; R390-V405 HydrophobicContact CG-CG1 4.38Å; R390-V405 HydrophobicContact CG-CG2 4.16Å
391L94.9Very high93.5Very high0 Ų048.3 Ų48.30%024%0.24CC..EExtended strand (participates in β ladder)trans-115.5123.9169.1-69.9172.7000109.3I384 L385 C386 E403 W404 M406 I410 I413 V427 I437I384-L391 HydrophobicContact CG2-CD2 4.02Å; L385-L391 CarbonylContact O-C 3.57Å; L385-L391 WeakPolarHBondContact O-CA 3.47Å; C386-L391 HydrophobicContact CB-CD2 3.6Å; L391-E403 CarbonylContact O-C 3.56Å; L391-E403 VanDerWaalsContact O-CA 3.24Å; L391-E403 WeakPolarHBondContact O-CA 3.25Å; L391-W404 HydrophobicContact CB-CB 4.4Å; L391-W404 HydrophobicContact CB-CE3 3.85Å; L391-W404 PolarHBondContact N-O 3.44Å; L391-W404 PolarHBondContact O-N 3.08Å; L391-M406 HydrophobicContact CD1-CE 3.83Å; L391-I410 HydrophobicContact CD1-CD1 4Å; L391-I410 HydrophobicContact CD2-CD1 3.83Å; L391-I410 HydrophobicContact CG-CD1 3.52Å; L391-I413 HydrophobicContact CD2-CD1 3.5Å; L391-V427 HydrophobicContact CD1-CG2 4.04Å; L391-I437 HydrophobicContact CD1-CD1 3.76Å
392Q94.4Very high93.5Very high42 Ų4246.5 Ų46.520%0.19623%0.23CC..EExtended strand (participates in β ladder)trans-112.7127.3176.8-67.2179.2-14.100109.8I384 L385 K400 E403I384-Q392 CarbonylContact C-O 3.51Å; I384-Q392 VanDerWaalsContact CA-O 3.27Å; I384-Q392 WeakPolarHBondContact CA-O 3.28Å; L385-Q392 HydrophobicContact CB-CB 4.48Å; L385-Q392 PolarHBondContact N-O 2.73Å; L385-Q392 PolarHBondContact O-N 3.31Å; Q392-K400 HydrophobicContact CG-CD 4.38Å; Q392-E403 HydrophobicContact CG-CB 4.43Å; Q392-E403 HydrophobicContact CG-CG 3.95Å; Q392-E403 PolarHBondContact NE2-OE1 3.44Å
393C94.6Very high93.4Very high1 Ų149 Ų491%0.00724%0.242CC..EExtended strand (participates in β ladder)trans-96.8118.5173.6-170.10000109.4E401 K402 W404C393-E401 PolarHBondContact O-N 2.86Å; C393-K402 HydrophobicContact CB-CB 4.11Å; C393-K402 PolarHBondContact N-O 2.93Å; C393-K402 PolarHBondContact O-N 3.25Å; C393-W404 HydrophobicContact CB-CH2 3.82Å; C393-W404 HydrophobicContact CB-CZ3 3.7Å
394L94.5Very high93.5Very high6 Ų649.5 Ų49.53%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-111.6138.6177.4-64.2165.4000109.6F371 H382 V383 L385 V399 K400F371-L394 HydrophobicContact CD1-CD1 4.43Å; F371-L394 HydrophobicContact CE1-CD1 3.77Å; F371-L394 HydrophobicContact CE2-CD1 4.24Å; F371-L394 HydrophobicContact CZ-CD1 3.65Å; H382-L394 CarbonylContact C-O 3.56Å; H382-L394 VanDerWaalsContact CA-O 3.25Å; H382-L394 WeakPolarHBondContact CA-O 3.3Å; V383-L394 PolarHBondContact N-O 2.86Å; V383-L394 PolarHBondContact O-N 2.79Å; L385-L394 HydrophobicContact CD1-CD1 3.37Å; L385-L394 HydrophobicContact CG-CD1 3.86Å; L394-V399 VanDerWaalsContact CA-O 3.32Å; L394-V399 WeakPolarHBondContact CA-O 3.39Å; L394-K400 HydrophobicContact CD2-CB 3.91Å; L394-K400 HydrophobicContact CD2-CG 4.46Å
395S93.6Very high93.4Very high17 Ų1753.5 Ų53.512%0.11927%0.268CS..EExtended strand (participates in β ladder)trans-69.2164.2162.2710000110.6A397 G398 V399 E401S395-A397 PolarHBondContact O-N 3.49Å; S395-A397 PolarHBondContact OG-N 3.15Å; S395-G398 PolarHBondContact O-N 2.98Å; S395-V399 PolarHBondContact N-O 2.99Å; S395-V399 PolarHBondContact OG-N 3.02Å; S395-E401 WeakPolarHBondContact CB-OE1 3.44Å
396F92.9Very high93.4Very high25 Ų2553.7 Ų53.711%0.1127%0.27CS..THydrogen-bonded Turntrans-64.7-17.4175.4-65.4-14.3000113.9I351 D365 I367 V378 S380 Q381 H382 V383 G398I351-F396 HydrophobicContact CD1-CB 3.7Å; I351-F396 HydrophobicContact CD1-CD1 3.3Å; I351-F396 HydrophobicContact CD1-CD2 4.32Å; I351-F396 HydrophobicContact CD1-CE1 3.92Å; I351-F396 HydrophobicContact CD1-CG 3.53Å; I351-F396 HydrophobicContact CG1-CD1 4.28Å; I351-F396 HydrophobicContact CG1-CE1 4.45Å; I351-F396 HydrophobicContact CG2-CD2 4.4Å; I351-F396 HydrophobicContact CG2-CE1 4.33Å; I351-F396 HydrophobicContact CG2-CE2 4.14Å; I351-F396 HydrophobicContact CG2-CZ 4.1Å; D365-F396 HydrophobicContact CB-CB 4.09Å; I367-F396 VanDerWaalsContact CG1-O 3.28Å; I367-F396 WeakPolarHBondContact CG1-O 3.49Å; V378-F396 HydrophobicContact CG2-CE1 4.39Å; V378-F396 HydrophobicContact CG2-CZ 4.48Å; S380-F396 WeakPolarHBondContact O-CE2 3.32Å; Q381-F396 VanDerWaalsContact C-CZ 3.47Å; Q381-F396 WeakPolarHBondContact O-CD1 3.41Å; H382-F396 VanDerWaalsContact N-CE1 3.33Å; V383-F396 HydrophobicContact CG2-CD1 4.01Å; V383-F396 HydrophobicContact CG2-CE1 3.88Å; F396-G398 PolarHBondContact O-N 3.31Å
397A90.8Very high93.2Very high86 Ų8661.4 Ų61.471%0.71131%0.305SS*.THydrogen-bonded Turntrans-77.6-3.7168.900000113.5S395 V399S395-A397 PolarHBondContact O-N 3.49Å; S395-A397 PolarHBondContact OG-N 3.15Å; A397-V399 HydrophobicContact CB-CG2 4.42Å
398G89Confident93.3Very high1 Ų158.4 Ų58.41%0.0129%0.294CS..SBendtrans78.620.7-179.600000114.7K369 S395 F396K369-G398 PolarHBondContact NZ-O 3.44Å; S395-G398 PolarHBondContact O-N 2.98Å; F396-G398 PolarHBondContact O-N 3.31Å
399V92.3Very high93.4Very high86 Ų8657.6 Ų57.652%0.52129%0.291SS..  trans-89129.4173.8-178.10000108.6L394 S395 A397 E401L394-V399 VanDerWaalsContact CA-O 3.32Å; L394-V399 WeakPolarHBondContact CA-O 3.39Å; S395-V399 PolarHBondContact N-O 2.99Å; S395-V399 PolarHBondContact OG-N 3.02Å; A397-V399 HydrophobicContact CB-CG2 4.42Å; V399-E401 PolarHBondContact O-N 2.61Å
400K92.9Very high93.4Very high113 Ų11353.7 Ų53.749%0.49128%0.275SS..EExtended strand (participates in β ladder)trans-77.7112.4174.6-172.3-179.972.6169.50109.1Q392 L394 E403Q392-K400 HydrophobicContact CG-CD 4.38Å; L394-K400 HydrophobicContact CD2-CB 3.91Å; L394-K400 HydrophobicContact CD2-CG 4.46Å; K400-E403 IonicContact NZ-OE2 2.62Å; K400-E403 PolarHBondContact NZ-OE2 3.1Å
401E91.9Very high93.4Very high101 Ų10153.8 Ų53.847%0.47228%0.275SS..EExtended strand (participates in β ladder)trans-91.6-40.9179.7-62.7-172.1173.600111.5H382 C393 S395 V399H382-E401 IonicContact CD2-OE2 3.99Å; H382-E401 IonicContact NE2-OE1 2.8Å; H382-E401 IonicContact NE2-OE2 3.38Å; H382-E401 PolarHBondContact NE2-OE2 2.68Å; H382-E401 VanDerWaalsContact NE2-OE2 3.1Å; C393-E401 PolarHBondContact O-N 2.86Å; S395-E401 WeakPolarHBondContact CB-OE1 3.44Å; V399-E401 PolarHBondContact O-N 2.61Å
402K91.3Very high93.3Very high64 Ų6457 Ų5728%0.27829%0.288SS..EExtended strand (participates in β ladder)trans-145.8157-176.2-64.2-177.6-171.1164.20112.6C393 W404 I439 D440C393-K402 HydrophobicContact CB-CB 4.11Å; C393-K402 PolarHBondContact N-O 2.93Å; C393-K402 PolarHBondContact O-N 3.25Å; K402-W404 HydrophobicContact CB-CH2 3.99Å; K402-W404 HydrophobicContact CB-CZ2 4.05Å; K402-W404 HydrophobicContact CB-CZ3 4.41Å; K402-W404 HydrophobicContact CD-CH2 4.37Å; K402-W404 HydrophobicContact CD-CZ2 3.96Å; K402-I439 WeakPolarHBondContact CD-O 3.49Å; K402-I439 PolarHBondContact NZ-O 2.82Å; K402-D440 PolarHBondContact NZ-O 2.87Å
403E93.9Very high93.3Very high66 Ų6655.9 Ų55.931%0.30828%0.283SS..EExtended strand (participates in β ladder)trans-144.1131.6174.6-177.3166.1-174.100109.8L391 Q392 K400L391-E403 CarbonylContact O-C 3.56Å; L391-E403 VanDerWaalsContact O-CA 3.24Å; L391-E403 WeakPolarHBondContact O-CA 3.25Å; Q392-E403 HydrophobicContact CG-CB 4.43Å; Q392-E403 HydrophobicContact CG-CG 3.95Å; Q392-E403 PolarHBondContact NE2-OE1 3.44Å; K400-E403 IonicContact NZ-OE2 2.62Å; K400-E403 PolarHBondContact NZ-OE2 3.1Å
404W95.4Very high93.1Very high9 Ų959.1 Ų59.13%0.03430%0.297CS..EExtended strand (participates in β ladder)trans-116.6134174.3-55-89.4000109.4R390 L391 C393 K402 M406 I437 N441 P442R390-W404 CarbonylContact C-O 3.51Å; R390-W404 WeakPolarHBondContact CA-O 3.13Å; L391-W404 HydrophobicContact CB-CB 4.4Å; L391-W404 HydrophobicContact CB-CE3 3.85Å; L391-W404 PolarHBondContact N-O 3.44Å; L391-W404 PolarHBondContact O-N 3.08Å; C393-W404 HydrophobicContact CB-CH2 3.82Å; C393-W404 HydrophobicContact CB-CZ3 3.7Å; K402-W404 HydrophobicContact CB-CH2 3.99Å; K402-W404 HydrophobicContact CB-CZ2 4.05Å; K402-W404 HydrophobicContact CB-CZ3 4.41Å; K402-W404 HydrophobicContact CD-CH2 4.37Å; K402-W404 HydrophobicContact CD-CZ2 3.96Å; W404-M406 HydrophobicContact CB-CE 3.6Å; W404-M406 HydrophobicContact CG-CE 4.47Å; W404-I437 HydrophobicContact CD2-CG2 4.13Å; W404-I437 HydrophobicContact CH2-CG2 4.45Å; W404-I437 HydrophobicContact CZ2-CG2 3.88Å; W404-N441 PolarHBondContact NE1-O 2.73Å; W404-P442 PolarHBondContact NE1-O 3.31Å; W404-P442 VanDerWaalsContact NE1-O 3.17Å
405V94.9Very high93Very high85 Ų8560.1 Ų60.152%0.51530%0.303SS..EExtended strand (participates in β ladder)trans-115.5120.5176.2-174.10000108.5K389 R390K389-V405 HydrophobicContact CD-CG1 4.23Å; K389-V405 HydrophobicContact CG-CG1 4.27Å; R390-V405 HydrophobicContact CG-CG1 4.38Å; R390-V405 HydrophobicContact CG-CG2 4.16Å
406M93.4Very high92.8Very high10 Ų1060.4 Ų60.45%0.04930%0.303CS..  trans-89.7158.5-178.6-55.3-55.1161.800111.4K389 L391 W404 S408 I410 L429 L435 I437 P444K389-M406 PolarHBondContact O-N 3.18Å; L391-M406 HydrophobicContact CD1-CE 3.83Å; W404-M406 HydrophobicContact CB-CE 3.6Å; W404-M406 HydrophobicContact CG-CE 4.47Å; M406-S408 PolarHBondContact O-N 2.67Å; M406-I410 HydrophobicContact CB-CG1 4.42Å; M406-I410 HydrophobicContact CG-CD1 3.91Å; M406-I410 HydrophobicContact CG-CG1 3.94Å; M406-L429 HydrophobicContact CB-CD1 3.88Å; M406-L429 HydrophobicContact CB-CD2 3.93Å; M406-L429 HydrophobicContact CG-CD1 4.46Å; M406-L429 HydrophobicContact CG-CD2 3.97Å; M406-L435 HydrophobicContact CE-CD1 4.41Å; M406-L435 HydrophobicContact CG-CD1 4.49Å; M406-L435 HydrophobicContact SD-CD1 3.37Å; M406-L435 WeakPolarHBondContact SD-CD1 3.3Å; M406-I437 HydrophobicContact CE-CD1 3.28Å; M406-I437 HydrophobicContact CE-CG1 4.47Å; M406-P444 HydrophobicContact CE-CG 4.09Å; M406-P444 HydrophobicContact SD-CG 4.35Å
407E92.3Very high92.6Very high162 Ų16259.8 Ų59.876%0.75730%0.304SS*.SBendtrans-66.2-23.8177-61.9-179.5169.900113.1
408S95Very high92.5Very high24 Ų2456.4 Ų56.417%0.16828%0.277CS..SBendtrans-144.3167.4-176.4-1690000111.2M406 I410 N431M406-S408 PolarHBondContact O-N 2.67Å; S408-I410 PolarHBondContact O-N 3.16Å; S408-N431 VanDerWaalsContact CB-CG 3.49Å; S408-N431 PolarHBondContact OG-N 2.78Å
409M94.4Very high92.5Very high95 Ų9560 Ų6047%0.46830%0.301SS..  trans-59.8136.4179.1-67.6-179.5-171.200110.9L429 K430M409-L429 WeakPolarHBondContact O-CA 3.37Å; M409-K430 HydrophobicContact CB-CB 4.3Å; M409-K430 PolarHBondContact O-N 3.41Å
410I95.5Very high92.4Very high14 Ų1459.5 Ų59.57%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-80.2123.5176.8-61.2158.8000108.4L375 E388 L391 M406 S408 I413 V427 L429L375-I410 HydrophobicContact CD1-CG2 4.45Å; E388-I410 WeakPolarHBondContact O-CB 3.06Å; E388-I410 PolarHBondContact O-N 3.4Å; L391-I410 HydrophobicContact CD1-CD1 4Å; L391-I410 HydrophobicContact CD2-CD1 3.83Å; L391-I410 HydrophobicContact CG-CD1 3.52Å; M406-I410 HydrophobicContact CB-CG1 4.42Å; M406-I410 HydrophobicContact CG-CD1 3.91Å; M406-I410 HydrophobicContact CG-CG1 3.94Å; S408-I410 PolarHBondContact O-N 3.16Å; I410-I413 HydrophobicContact CG2-CD1 3.78Å; I410-I413 HydrophobicContact CG2-CG1 3.48Å; I410-I413 VanDerWaalsContact CG2-CG1 3.48Å; I410-V427 HydrophobicContact CB-CG1 4.47Å; I410-V427 HydrophobicContact CG1-CG1 4.06Å; I410-V427 HydrophobicContact CG2-CG1 3.7Å; I410-L429 HydrophobicContact CB-CD2 4.28Å; I410-L429 HydrophobicContact CG1-CD2 3.59Å
411R92.9Very high92.1Very high123 Ų12355.9 Ų55.946%0.46429%0.288SS..EExtended strand (participates in β ladder)trans-100-33.9-178.3-69.8-73.9-73.4174.6-7.5112.1G428 K430 V454R411-G428 PolarHBondContact N-O 2.8Å; R411-K430 HydrophobicContact CG-CB 3.95Å; R411-V454 WeakPolarHBondContact CB-O 3.08Å
412Y93.2Very high92.1Very high66 Ų6656.3 Ų56.326%0.25929%0.288SS..EExtended strand (participates in β ladder)trans-146.3140.7-174.6-166.1-89.5000111K414 V427 G428 C456 L457Y412-K414 HydrophobicContact CE1-CB 3.83Å; Y412-V427 WeakPolarHBondContact O-CA 2.99Å; Y412-G428 PolarHBondContact N-O 3.47Å; Y412-G428 PolarHBondContact O-N 2.79Å; Y412-C456 HydrophobicContact CD2-CB 3.74Å; Y412-C456 HydrophobicContact CE2-CB 3.71Å; Y412-C456 HydrophobicContact CG-CB 4.43Å; Y412-L457 HydrophobicContact CD1-CD1 4.23Å; Y412-L457 HydrophobicContact CD1-CD2 4.08Å; Y412-L457 HydrophobicContact CD1-CG 3.67Å; Y412-L457 HydrophobicContact CE1-CD1 4.48Å; Y412-L457 HydrophobicContact CE1-CG 4.15Å; Y412-L457 WeakPolarHBondContact CE1-O 3.03Å; Y412-L457 HydrophobicContact CG-CG 4.43Å
413I93.8Very high92.2Very high20 Ų2053.2 Ų53.210%0.10328%0.275CS..EExtended strand (participates in β ladder)trans-139.7133.6175.9-53.3166.6000108.7L375 V377 C386 L391 I410 L426 V427L375-I413 HydrophobicContact CB-CD1 4.13Å; L375-I413 HydrophobicContact CD1-CB 4.43Å; L375-I413 HydrophobicContact CD1-CD1 3.72Å; L375-I413 HydrophobicContact CD1-CG1 3.84Å; V377-I413 HydrophobicContact CG2-CB 4.29Å; V377-I413 HydrophobicContact CG2-CG2 3.88Å; C386-I413 HydrophobicContact CB-CD1 3.57Å; L391-I413 HydrophobicContact CD2-CD1 3.5Å; I410-I413 HydrophobicContact CG2-CD1 3.78Å; I410-I413 HydrophobicContact CG2-CG1 3.48Å; I410-I413 VanDerWaalsContact CG2-CG1 3.48Å; I413-L426 CarbonylContact C-O 3.56Å; I413-L426 VanDerWaalsContact CA-O 3.31Å; I413-L426 WeakPolarHBondContact CA-O 3.26Å; I413-V427 HydrophobicContact CG1-CG2 4.5Å; I413-V427 HydrophobicContact CG2-CG2 4.4Å
414K91.5Very high92.2Very high68 Ų6850.1 Ų50.130%0.29626%0.26SS..EExtended strand (participates in β ladder)trans-137.5139.9172.5-176.6171.3-175.5174.90111Y412 L426 D458Y412-K414 HydrophobicContact CE1-CB 3.83Å; K414-L426 PolarHBondContact N-O 3.44Å; K414-L426 PolarHBondContact O-N 3.38Å; K414-D458 WeakPolarHBondContact CD-OD1 3.27Å; K414-D458 WeakPolarHBondContact CE-OD1 3.21Å; K414-D458 IonicContact NZ-OD1 3.95Å; K414-D458 PolarHBondContact NZ-OD1 2.98Å; K414-D458 IonicContact NZ-OD2 3.57Å; K414-D458 PolarHBondContact NZ-OD2 2.84Å
415V92.4Very high92.1Very high27 Ų2749.7 Ų49.716%0.16426%0.258CS..EExtended strand (participates in β ladder)trans-79.4119.7170.7-172.40000108.3Y337 V377 E423 L425Y337-V415 HydrophobicContact CD2-CB 3.99Å; Y337-V415 HydrophobicContact CD2-CG1 3.8Å; Y337-V415 HydrophobicContact CD2-CG2 4.4Å; Y337-V415 HydrophobicContact CE2-CB 3.96Å; Y337-V415 HydrophobicContact CE2-CG1 3.37Å; V377-V415 HydrophobicContact CG1-CG2 3.25Å; V415-E423 HydrophobicContact CG1-CB 4.3Å; V415-L425 HydrophobicContact CG2-CD2 3.93Å
416I90Very high92.2Very high24 Ų2445.6 Ų45.612%0.12323%0.234CC..EExtended strand (participates in β ladder)trans-94.6-0.6-179.454.3164.7000112.5G424 L426 K436 M459 R463I416-G424 WeakPolarHBondContact CG1-O 3.45Å; I416-G424 PolarHBondContact N-O 2.92Å; I416-L426 HydrophobicContact CG2-CB 3.61Å; I416-L426 HydrophobicContact CG2-CD2 3.99Å; I416-L426 HydrophobicContact CG2-CG 4.43Å; I416-K436 HydrophobicContact CD1-CD 4.15Å; I416-K436 HydrophobicContact CD1-CG 4.09Å; I416-M459 HydrophobicContact CB-CE 3.56Å; I416-M459 HydrophobicContact CD1-CE 3.7Å; I416-M459 HydrophobicContact CG1-CE 4.21Å; I416-M459 HydrophobicContact CG2-CE 3.55Å; I416-R463 PolarHBondContact O-NE 3.36Å; I416-R463 PolarHBondContact O-NH2 2.94Å
417G88.1Confident92.3Very high11 Ų1145.1 Ų45.111%0.11323%0.231CC..EExtended strand (participates in β ladder)trans90.5-179.9176.500000114.3Y337 G424 R463Y337-G417 WeakPolarHBondContact OH-CA 3.48Å; G417-G424 PolarHBondContact O-N 2.94Å; G417-R463 PolarHBondContact O-NH2 3.4Å
418G88.6Confident92.5Very high15 Ų1537.4 Ų37.416%0.15520%0.195CC..  trans154.3-179.3-17800000111.6R338R338-G418 PolarHBondContact NH2-O 2.78Å
419P89.3Confident92.5Very high78 Ų7836.4 Ų36.451%0.50619%0.188SC..SBendtrans-59.5150.7167.1-8.320.9000109.9C421 K422 E423P419-C421 PolarHBondContact O-N 3.36Å; P419-K422 HydrophobicContact CB-CB 4.24Å; P419-K422 HydrophobicContact CG-CB 4.04Å; P419-K422 CarbonylContact O-C 3.58Å; P419-K422 PolarHBondContact O-N 3.17Å; P419-E423 PolarHBondContact O-N 2.61Å
420P88.8Confident92.6Very high75 Ų7537.2 Ų37.249%0.48719%0.189SC..THydrogen-bonded Turntrans-50.7134.7170.7-24.934.5000111.3K422P420-K422 PolarHBondContact O-N 2.82Å
421C86.8Confident92.5Very high37 Ų3738.9 Ų38.925%0.2520%0.198CC..THydrogen-bonded Turntrans71.7-6-174.5-48.50000116.3Q381 P419 E423Q381-C421 PolarHBondContact OE1-SG 3.37Å; P419-C421 PolarHBondContact O-N 3.36Å; C421-E423 VanDerWaalsContact C-OE2 3.3Å; C421-E423 WeakPolarHBondContact CA-OE2 3.48Å; C421-E423 PolarHBondContact N-OE2 3.43Å
422K91.9Very high92.6Very high109 Ų10933 Ų3347%0.47418%0.176SC..  trans-125.127.9179-55.1-167.4171.2-171.70111.4P419 P420 D440P419-K422 HydrophobicContact CB-CB 4.24Å; P419-K422 HydrophobicContact CG-CB 4.04Å; P419-K422 CarbonylContact O-C 3.58Å; P419-K422 PolarHBondContact O-N 3.17Å; P420-K422 PolarHBondContact O-N 2.82Å; K422-D440 WeakPolarHBondContact CD-OD2 3.35Å; K422-D440 VanDerWaalsContact CE-OD2 3.29Å; K422-D440 WeakPolarHBondContact CE-OD2 3.14Å; K422-D440 HydrophobicContact CG-CB 4.05Å; K422-D440 VanDerWaalsContact CG-OD2 3.3Å; K422-D440 WeakPolarHBondContact CG-OD2 3.31Å; K422-D440 IonicContact NZ-OD2 3.65Å
423E94.1Very high92.8Very high0 Ų030.1 Ų30.10%017%0.166CC..  trans-66.8141.7179.4-58.392.6149.100111Y337 S380 V415 P419 C421 I439Y337-E423 HydrophobicContact CE1-CG 4.32Å; S380-E423 WeakPolarHBondContact CB-OE1 3.3Å; S380-E423 PolarHBondContact N-OE1 3.2Å; S380-E423 PolarHBondContact OG-OE1 2.73Å; V415-E423 HydrophobicContact CG1-CB 4.3Å; P419-E423 PolarHBondContact O-N 2.61Å; C421-E423 VanDerWaalsContact C-OE2 3.3Å; C421-E423 WeakPolarHBondContact CA-OE2 3.48Å; C421-E423 PolarHBondContact N-OE2 3.43Å; E423-I439 HydrophobicContact CB-CD1 3.86Å; E423-I439 WeakPolarHBondContact O-CG1 3.13Å; E423-I439 PolarHBondContact O-N 3.32Å
424G93.6Very high92.9Very high0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-85.4139.9171.700000111.2I416 G417 I437I416-G424 WeakPolarHBondContact CG1-O 3.45Å; I416-G424 PolarHBondContact N-O 2.92Å; G417-G424 PolarHBondContact O-N 2.94Å; G424-I437 CarbonylContact C-O 3.49Å; G424-I437 WeakPolarHBondContact CA-O 3.37Å
425L94.7Very high93.1Very high0 Ų026.6 Ų26.60%015%0.15CC..EExtended strand (participates in β ladder)trans-112.3138.1169.1-51.1172.9000108.5V377 I384 V415 V427 K436 I437 I439V377-L425 HydrophobicContact CG1-CD2 4.36Å; I384-L425 HydrophobicContact CD1-CD1 3.44Å; I384-L425 VanDerWaalsContact CD1-CD1 3.44Å; I384-L425 HydrophobicContact CD1-CD2 3.57Å; I384-L425 HydrophobicContact CD1-CG 4.05Å; I384-L425 HydrophobicContact CG1-CD1 4.35Å; I384-L425 HydrophobicContact CG2-CD1 4.49Å; V415-L425 HydrophobicContact CG2-CD2 3.93Å; L425-V427 HydrophobicContact CB-CG2 4.43Å; L425-K436 CarbonylContact O-C 3.58Å; L425-K436 WeakPolarHBondContact O-CA 3.28Å; L425-I437 HydrophobicContact CB-CB 4.33Å; L425-I437 PolarHBondContact N-O 2.93Å; L425-I437 PolarHBondContact O-N 3.48Å; L425-I439 HydrophobicContact CD1-CG1 4.39Å; L425-I439 HydrophobicContact CG-CG1 4.42Å
426L95.1Very high93.2Very high0 Ų027.3 Ų27.30%015%0.151CC..EExtended strand (participates in β ladder)trans-111.9122.8174.2-170.265.8000108.4I413 K414 I416 I434 L447 L457 M459 L466I413-L426 CarbonylContact C-O 3.56Å; I413-L426 VanDerWaalsContact CA-O 3.31Å; I413-L426 WeakPolarHBondContact CA-O 3.26Å; K414-L426 PolarHBondContact N-O 3.44Å; K414-L426 PolarHBondContact O-N 3.38Å; I416-L426 HydrophobicContact CG2-CB 3.61Å; I416-L426 HydrophobicContact CG2-CD2 3.99Å; I416-L426 HydrophobicContact CG2-CG 4.43Å; L426-I434 HydrophobicContact CD1-CG2 4.09Å; L426-L447 HydrophobicContact CD1-CD1 3.67Å; L426-L457 HydrophobicContact CB-CD1 4.23Å; L426-L457 HydrophobicContact CD1-CD1 4.38Å; L426-L457 HydrophobicContact CD2-CD1 3.11Å; L426-L457 HydrophobicContact CG-CD1 3.29Å; L426-M459 HydrophobicContact CD2-CB 3.95Å; L426-L466 HydrophobicContact CD1-CD1 4.42Å; L426-L466 HydrophobicContact CD2-CD1 3.83Å
427V96.1Very high93.4Very high0 Ų026.1 Ų26.10%015%0.145CC..EExtended strand (participates in β ladder)trans-125.7125.6-167.3-177.50000109.7L391 I410 Y412 I413 L425 L429 I434 L435 I437L391-V427 HydrophobicContact CD1-CG2 4.04Å; I410-V427 HydrophobicContact CB-CG1 4.47Å; I410-V427 HydrophobicContact CG1-CG1 4.06Å; I410-V427 HydrophobicContact CG2-CG1 3.7Å; Y412-V427 WeakPolarHBondContact O-CA 2.99Å; I413-V427 HydrophobicContact CG1-CG2 4.5Å; I413-V427 HydrophobicContact CG2-CG2 4.4Å; L425-V427 HydrophobicContact CB-CG2 4.43Å; V427-L429 HydrophobicContact CG1-CD2 3.85Å; V427-I434 WeakPolarHBondContact O-CA 3.19Å; V427-L435 HydrophobicContact CB-CB 4.4Å; V427-L435 PolarHBondContact N-O 3.29Å; V427-L435 PolarHBondContact O-N 3.17Å; V427-I437 HydrophobicContact CG2-CD1 3.78Å; V427-I437 HydrophobicContact CG2-CG1 4.44Å
428G96Very high93.7Very high0 Ų028.2 Ų28.20%015%0.151CC..EExtended strand (participates in β ladder)trans-107.9128.1174.600000111.3R411 Y412 L457R411-G428 PolarHBondContact N-O 2.8Å; Y412-G428 PolarHBondContact N-O 3.47Å; Y412-G428 PolarHBondContact O-N 2.79Å; G428-L457 VanDerWaalsContact CA-CD2 3.47Å
429L96.5Very high93.8Very high2 Ų227.6 Ų27.61%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-101.6157.7-178-56.7-167.9000112.6M406 M409 I410 V427 N431 G432 A433 L435 V454M406-L429 HydrophobicContact CB-CD1 3.88Å; M406-L429 HydrophobicContact CB-CD2 3.93Å; M406-L429 HydrophobicContact CG-CD1 4.46Å; M406-L429 HydrophobicContact CG-CD2 3.97Å; M409-L429 WeakPolarHBondContact O-CA 3.37Å; I410-L429 HydrophobicContact CB-CD2 4.28Å; I410-L429 HydrophobicContact CG1-CD2 3.59Å; V427-L429 HydrophobicContact CG1-CD2 3.85Å; L429-N431 WeakPolarHBondContact CB-OD1 3.11Å; L429-N431 PolarHBondContact O-N 3.31Å; L429-G432 PolarHBondContact O-N 3.37Å; L429-G432 VanDerWaalsContact O-N 3.12Å; L429-A433 HydrophobicContact CB-CB 4.39Å; L429-A433 WeakPolarHBondContact CB-O 3.29Å; L429-A433 HydrophobicContact CD1-CB 4.1Å; L429-A433 HydrophobicContact CG-CB 4.4Å; L429-A433 PolarHBondContact N-O 2.94Å; L429-L435 HydrophobicContact CD1-CD1 3.97Å; L429-L435 HydrophobicContact CG-CD1 4.42Å; L429-V454 PolarHBondContact O-N 2.66Å
430K95.6Very high93.9Very high112 Ų11227 Ų2749%0.48714%0.137SC..THydrogen-bonded Turntrans-64.4-24.8175.8-175.6179.9178.9-176.30113.3M409 R411 G432 S453M409-K430 HydrophobicContact CB-CB 4.3Å; M409-K430 PolarHBondContact O-N 3.41Å; R411-K430 HydrophobicContact CG-CB 3.95Å; K430-G432 PolarHBondContact O-N 2.77Å; K430-S453 WeakPolarHBondContact CA-OG 3.22Å; K430-S453 VanDerWaalsContact O-CA 3.23Å; K430-S453 WeakPolarHBondContact O-CA 3.43Å; K430-S453 WeakPolarHBondContact O-CB 3.32Å; K430-S453 PolarHBondContact O-OG 3.47Å
431N94.6Very high93.9Very high50 Ų5025.9 Ų25.927%0.26713%0.127SC..THydrogen-bonded Turntrans-84.910175.269.6-10.1000113.8S408 L429 A433S408-N431 VanDerWaalsContact CB-CG 3.49Å; S408-N431 PolarHBondContact OG-N 2.78Å; L429-N431 WeakPolarHBondContact CB-OD1 3.11Å; L429-N431 PolarHBondContact O-N 3.31Å; N431-A433 VanDerWaalsContact C-N 3.33Å; N431-A433 PolarHBondContact O-N 3.05Å; N431-A433 WeakPolarHBondContact OD1-CB 3.49Å; N431-A433 PolarHBondContact OD1-N 3.43Å
432G94.4Very high93.8Very high0 Ų027.7 Ų27.70%014%0.138CC..SBendtrans85.4-5.2178.700000115.4L429 K430 L450 L452L429-G432 PolarHBondContact O-N 3.37Å; L429-G432 VanDerWaalsContact O-N 3.12Å; K430-G432 PolarHBondContact O-N 2.77Å; G432-L450 PolarHBondContact O-N 3.31Å; G432-L452 WeakPolarHBondContact CA-O 3.39Å
433A96.2Very high93.6Very high5 Ų529.8 Ų29.84%0.04115%0.147CC..EExtended strand (participates in β ladder)trans-73.7139.3176.900000111.8L429 N431 K449L429-A433 HydrophobicContact CB-CB 4.39Å; L429-A433 WeakPolarHBondContact CB-O 3.29Å; L429-A433 HydrophobicContact CD1-CB 4.1Å; L429-A433 HydrophobicContact CG-CB 4.4Å; L429-A433 PolarHBondContact N-O 2.94Å; N431-A433 VanDerWaalsContact C-N 3.33Å; N431-A433 PolarHBondContact O-N 3.05Å; N431-A433 WeakPolarHBondContact OD1-CB 3.49Å; N431-A433 PolarHBondContact OD1-N 3.43Å; A433-K449 HydrophobicContact CB-CG 4.42Å
434I96.4Very high93.5Very high0 Ų032.1 Ų32.10%016%0.162CC..EExtended strand (participates in β ladder)trans-121.2120.3178.3-53.6174.1000108.5L426 V427 L447 L448 L450 V454 L457 L466 V468L426-I434 HydrophobicContact CD1-CG2 4.09Å; V427-I434 WeakPolarHBondContact O-CA 3.19Å; I434-L447 PolarHBondContact O-N 2.95Å; I434-L448 PolarHBondContact N-O 2.87Å; I434-L450 HydrophobicContact CD1-CD1 4.31Å; I434-V454 HydrophobicContact CD1-CG2 4.37Å; I434-V454 HydrophobicContact CG1-CG2 3.97Å; I434-L457 HydrophobicContact CG2-CD2 4.47Å; I434-L466 HydrophobicContact CD1-CD2 3.74Å; I434-L466 HydrophobicContact CG2-CD2 4.07Å; I434-V468 HydrophobicContact CD1-CB 4.28Å; I434-V468 HydrophobicContact CD1-CG1 3.94Å; I434-V468 HydrophobicContact CD1-CG2 3.37Å
435L95.3Very high93.5Very high13 Ų1335.6 Ų35.67%0.06818%0.18CC..EExtended strand (participates in β ladder)trans-118.9143.6-171.7-51.7177.5000110.3M406 V427 L429 P444 I445 T446M406-L435 HydrophobicContact CE-CD1 4.41Å; M406-L435 HydrophobicContact CG-CD1 4.49Å; M406-L435 HydrophobicContact SD-CD1 3.37Å; M406-L435 WeakPolarHBondContact SD-CD1 3.3Å; V427-L435 HydrophobicContact CB-CB 4.4Å; V427-L435 PolarHBondContact N-O 3.29Å; V427-L435 PolarHBondContact O-N 3.17Å; L429-L435 HydrophobicContact CD1-CD1 3.97Å; L429-L435 HydrophobicContact CG-CD1 4.42Å; L435-P444 HydrophobicContact CB-CB 4.45Å; L435-P444 HydrophobicContact CD1-CB 4.19Å; L435-I445 CarbonylContact C-O 3.59Å; L435-I445 WeakPolarHBondContact CA-O 3.44Å; L435-T446 HydrophobicContact CD2-CG2 3.97Å; L435-T446 WeakPolarHBondContact CD2-OG1 3.38Å
436K94.8Very high93.5Very high42 Ų4239.7 Ų39.718%0.18321%0.205CC..EExtended strand (participates in β ladder)trans-110.2124168.3-176.1178179.7-178.20108.7I416 L425 F438 I445 L447I416-K436 HydrophobicContact CD1-CD 4.15Å; I416-K436 HydrophobicContact CD1-CG 4.09Å; L425-K436 CarbonylContact O-C 3.58Å; L425-K436 WeakPolarHBondContact O-CA 3.28Å; K436-F438 HydrophobicContact CD-CE2 4.37Å; K436-F438 HydrophobicContact CD-CZ 4.37Å; K436-I445 HydrophobicContact CB-CB 4.48Å; K436-I445 PolarHBondContact N-O 2.92Å; K436-I445 WeakPolarHBondContact O-CB 3.46Å; K436-I445 PolarHBondContact O-N 2.85Å; K436-L447 HydrophobicContact CB-CD1 4Å; K436-L447 HydrophobicContact CB-CD2 4Å; K436-L447 HydrophobicContact CB-CG 3.93Å; K436-L447 HydrophobicContact CD-CD2 4.33Å
437I94.4Very high93.4Very high0 Ų040.7 Ų40.70%021%0.21CC..EExtended strand (participates in β ladder)trans-121130.5-178.1-54.3171.5000107.4L391 W404 M406 G424 L425 V427 P444L391-I437 HydrophobicContact CD1-CD1 3.76Å; W404-I437 HydrophobicContact CD2-CG2 4.13Å; W404-I437 HydrophobicContact CH2-CG2 4.45Å; W404-I437 HydrophobicContact CZ2-CG2 3.88Å; M406-I437 HydrophobicContact CE-CD1 3.28Å; M406-I437 HydrophobicContact CE-CG1 4.47Å; G424-I437 CarbonylContact C-O 3.49Å; G424-I437 WeakPolarHBondContact CA-O 3.37Å; L425-I437 HydrophobicContact CB-CB 4.33Å; L425-I437 PolarHBondContact N-O 2.93Å; L425-I437 PolarHBondContact O-N 3.48Å; V427-I437 HydrophobicContact CG2-CD1 3.78Å; V427-I437 HydrophobicContact CG2-CG1 4.44Å; I437-P444 HydrophobicContact CD1-CB 4.39Å; I437-P444 HydrophobicContact CD1-CG 4.41Å; I437-P444 HydrophobicContact CG1-CB 3.89Å; I437-P444 HydrophobicContact CG1-CG 4.28Å
438F93.9Very high93.3Very high54 Ų5441.6 Ų41.624%0.23722%0.215CC..EExtended strand (participates in β ladder)trans-97.1137.5167.2-65.3-86000108.6K436 D440 N441 I445K436-F438 HydrophobicContact CD-CE2 4.37Å; K436-F438 HydrophobicContact CD-CZ 4.37Å; F438-D440 VanDerWaalsContact CB-OD1 3.28Å; F438-D440 WeakPolarHBondContact CB-OD1 3.45Å; F438-D440 PolarHBondContact O-N 2.72Å; F438-N441 HydrophobicContact CB-CB 3.92Å; F438-N441 PolarHBondContact O-N 2.96Å; F438-I445 HydrophobicContact CD2-CD1 4.2Å; F438-I445 HydrophobicContact CE2-CD1 3.94Å
439I92.1Very high93.2Very high3 Ų348.3 Ų48.32%0.01524%0.244CC..THydrogen-bonded Turntrans-59.6-34.2-177.1-66.9171.4000111.7C379 I384 K402 E423 L425 N441C379-I439 HydrophobicContact CB-CD1 3.74Å; C379-I439 WeakPolarHBondContact SG-CD1 3.46Å; I384-I439 HydrophobicContact CD1-CD1 4.02Å; I384-I439 HydrophobicContact CD1-CG1 4.3Å; K402-I439 WeakPolarHBondContact CD-O 3.49Å; K402-I439 PolarHBondContact NZ-O 2.82Å; E423-I439 HydrophobicContact CB-CD1 3.86Å; E423-I439 WeakPolarHBondContact O-CG1 3.13Å; E423-I439 PolarHBondContact O-N 3.32Å; L425-I439 HydrophobicContact CD1-CG1 4.39Å; L425-I439 HydrophobicContact CG-CG1 4.42Å; I439-N441 VanDerWaalsContact C-N 3.31Å; I439-N441 PolarHBondContact O-N 3.25Å
440D90.1Very high93.1Very high66 Ų6649.2 Ų49.235%0.35325%0.249SC..THydrogen-bonded Turntrans-76.9-14.2176.466.3-25.9000113.5K402 K422 F438K402-D440 PolarHBondContact NZ-O 2.87Å; K422-D440 WeakPolarHBondContact CD-OD2 3.35Å; K422-D440 VanDerWaalsContact CE-OD2 3.29Å; K422-D440 WeakPolarHBondContact CE-OD2 3.14Å; K422-D440 HydrophobicContact CG-CB 4.05Å; K422-D440 VanDerWaalsContact CG-OD2 3.3Å; K422-D440 WeakPolarHBondContact CG-OD2 3.31Å; K422-D440 IonicContact NZ-OD2 3.65Å; F438-D440 VanDerWaalsContact CB-OD1 3.28Å; F438-D440 WeakPolarHBondContact CB-OD1 3.45Å; F438-D440 PolarHBondContact O-N 2.72Å
441N88.7Confident92.8Very high51 Ų5149.5 Ų49.527%0.27327%0.265SS..  trans-104.7129.2-175.6-166.2-24000112.7W404 F438 I439 F443W404-N441 PolarHBondContact NE1-O 2.73Å; F438-N441 HydrophobicContact CB-CB 3.92Å; F438-N441 PolarHBondContact O-N 2.96Å; I439-N441 VanDerWaalsContact C-N 3.31Å; I439-N441 PolarHBondContact O-N 3.25Å; N441-F443 VanDerWaalsContact C-N 3.3Å; N441-F443 PolarHBondContact O-N 2.86Å; N441-F443 PolarHBondContact OD1-N 3.47Å
442P84.8Confident92.9Very high75 Ų7549.5 Ų49.549%0.48727%0.265SS..SBendtrans-70.1-20.8175.727.2-34.7000114.4W404 P444W404-P442 PolarHBondContact NE1-O 3.31Å; W404-P442 VanDerWaalsContact NE1-O 3.17Å; P442-P444 WeakPolarHBondContact O-CD 3.38Å
443F89.2Confident92.9Very high153 Ų15349.9 Ų49.967%0.67127%0.268SS*.SBendtrans-102.8119.1-172.3-58.5-71.2000112.7N441N441-F443 VanDerWaalsContact C-N 3.3Å; N441-F443 PolarHBondContact O-N 2.86Å; N441-F443 PolarHBondContact OD1-N 3.47Å
444P92.1Very high92.8Very high48 Ų4849.6 Ų49.631%0.31227%0.266SS..  trans-64.6133.4168.7-21.434.4000111.5M406 L435 I437 P442M406-P444 HydrophobicContact CE-CG 4.09Å; M406-P444 HydrophobicContact SD-CG 4.35Å; L435-P444 HydrophobicContact CB-CB 4.45Å; L435-P444 HydrophobicContact CD1-CB 4.19Å; I437-P444 HydrophobicContact CD1-CB 4.39Å; I437-P444 HydrophobicContact CD1-CG 4.41Å; I437-P444 HydrophobicContact CG1-CB 3.89Å; I437-P444 HydrophobicContact CG1-CG 4.28Å; P442-P444 WeakPolarHBondContact O-CD 3.38Å
445I93.4Very high92.7Very high74 Ų7453.6 Ų53.638%0.37928%0.281SS..EExtended strand (participates in β ladder)trans-97.4115.8177.5-57.2167.7000108.5L435 K436 F438 L447L435-I445 CarbonylContact C-O 3.59Å; L435-I445 WeakPolarHBondContact CA-O 3.44Å; K436-I445 HydrophobicContact CB-CB 4.48Å; K436-I445 PolarHBondContact N-O 2.92Å; K436-I445 WeakPolarHBondContact O-CB 3.46Å; K436-I445 PolarHBondContact O-N 2.85Å; F438-I445 HydrophobicContact CD2-CD1 4.2Å; F438-I445 HydrophobicContact CE2-CD1 3.94Å; I445-L447 HydrophobicContact CG2-CD2 4.5Å; I445-L447 PolarHBondContact O-N 2.83Å
446T94Very high92.5Very high85 Ų8553.7 Ų53.752%0.52128%0.282SS..EExtended strand (participates in β ladder)trans-72.5118173.5-51.50000110.6L435L435-T446 HydrophobicContact CD2-CG2 3.97Å; L435-T446 WeakPolarHBondContact CD2-OG1 3.38Å
447L93.8Very high92.5Very high21 Ų2151.7 Ų51.711%0.1127%0.273CS..EExtended strand (participates in β ladder)trans-82.7-54.4175.3-61.5-176.3000110.3L426 I434 K436 I445 I480L426-L447 HydrophobicContact CD1-CD1 3.67Å; I434-L447 PolarHBondContact O-N 2.95Å; K436-L447 HydrophobicContact CB-CD1 4Å; K436-L447 HydrophobicContact CB-CD2 4Å; K436-L447 HydrophobicContact CB-CG 3.93Å; K436-L447 HydrophobicContact CD-CD2 4.33Å; I445-L447 HydrophobicContact CG2-CD2 4.5Å; I445-L447 PolarHBondContact O-N 2.83Å; L447-I480 HydrophobicContact CD2-CG2 4.23Å
448L93.9Very high92.5Very high20 Ų2052.1 Ų52.111%0.10528%0.275CS..EExtended strand (participates in β ladder)trans-147.9157.6-175.3-75.3169.1000110.2I434 L466 Y478 K483I434-L448 PolarHBondContact N-O 2.87Å; L448-L466 HydrophobicContact CD1-CD2 3.87Å; L448-Y478 HydrophobicContact CD1-CD1 4.1Å; L448-Y478 HydrophobicContact CD1-CD2 3.93Å; L448-Y478 HydrophobicContact CD1-CG 3.61Å; L448-K483 HydrophobicContact CD2-CB 3.89Å; L448-K483 HydrophobicContact CD2-CD 4.24Å; L448-K483 HydrophobicContact CD2-CG 3.96Å
449K93.9Very high92.4Very high141 Ų14150.3 Ų50.361%0.61327%0.268SS*.EExtended strand (participates in β ladder)trans-134.1112.3172.8-175.8172.7-178.6171.90109.2A433A433-K449 HydrophobicContact CB-CG 4.42Å
450L92.8Very high92.4Very high20 Ų2050.3 Ų50.311%0.10527%0.268CS..  trans-87.4162176.6-56.7179.9000110.6G432 I434 L452 V468 L476 Y478G432-L450 PolarHBondContact O-N 3.31Å; I434-L450 HydrophobicContact CD1-CD1 4.31Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L450-V468 HydrophobicContact CD1-CB 4.12Å; L450-V468 HydrophobicContact CD1-CG1 3.64Å; L450-L476 HydrophobicContact CD1-CD1 4.28Å; L450-L476 HydrophobicContact CD2-CD1 4.48Å; L450-Y478 HydrophobicContact CD2-CE2 3.87Å; L450-Y478 WeakPolarHBondContact CD2-OH 3.45Å
451S90.8Very high92.3Very high119 Ų11950 Ų5083%0.83228%0.275SS*.SBendtrans-77-20.2174.6540000113.4
452L95.2Very high92.3Very high49 Ų4950.2 Ų50.226%0.25728%0.28SS..SBendtrans-116.2158.1-175.5-62.3176.7000111.7G432 L450 D470 R472G432-L452 WeakPolarHBondContact CA-O 3.39Å; L450-L452 VanDerWaalsContact C-N 3.33Å; L452-D470 HydrophobicContact CB-CB 4.19Å; L452-D470 HydrophobicContact CD1-CB 4.47Å; L452-D470 WeakPolarHBondContact CD1-OD2 3.44Å; L452-R472 HydrophobicContact CD1-CB 4.48Å; L452-R472 HydrophobicContact CD1-CG 3.93Å
453S94.9Very high92.5Very high8 Ų851 Ų516%0.05627%0.274CS..  trans-61.1138.4177.9176.50000111.7K430 D470 E471K430-S453 WeakPolarHBondContact CA-OG 3.22Å; K430-S453 VanDerWaalsContact O-CA 3.23Å; K430-S453 WeakPolarHBondContact O-CA 3.43Å; K430-S453 WeakPolarHBondContact O-CB 3.32Å; K430-S453 PolarHBondContact O-OG 3.47Å; S453-D470 WeakPolarHBondContact O-CA 3.49Å; S453-E471 WeakPolarHBondContact CB-OE2 3.33Å; S453-E471 PolarHBondContact O-N 3.27Å; S453-E471 VanDerWaalsContact O-N 3.12Å
454V95.3Very high92.6Very high0 Ų049.1 Ų49.10%027%0.265CS..EExtended strand (participates in β ladder)trans-76.6128.5173.2-174.10000110R411 L429 I434 L457 V468R411-V454 WeakPolarHBondContact CB-O 3.08Å; L429-V454 PolarHBondContact O-N 2.66Å; I434-V454 HydrophobicContact CD1-CG2 4.37Å; I434-V454 HydrophobicContact CG1-CG2 3.97Å; V454-L457 HydrophobicContact CG1-CB 4.31Å; V454-L457 HydrophobicContact CG1-CD2 3.57Å; V454-L457 HydrophobicContact CG1-CG 4.45Å; V454-V468 HydrophobicContact CG1-CG1 3.79Å; V454-V468 HydrophobicContact CG2-CG1 4.29Å
455R92.5Very high92.7Very high84 Ų8448.5 Ų48.532%0.31726%0.258SS..EExtended strand (participates in β ladder)trans-92.1-56.4172.9172.6175.9-86.2121.6-14.3110.9V469 D470 E471 N473R455-V469 HydrophobicContact CB-CG1 4.46Å; R455-V469 WeakPolarHBondContact CB-O 3.32Å; R455-V469 PolarHBondContact N-O 3.25Å; R455-D470 PolarHBondContact NH1-O 2.94Å; R455-E471 PolarHBondContact NH1-O 3.15Å; R455-N473 PolarHBondContact NH1-OD1 2.82Å; R455-N473 PolarHBondContact NH2-OD1 3.44Å
456C92.6Very high92.8Very high14 Ų1445 Ų4510%0.09524%0.24CC..EExtended strand (participates in β ladder)trans-151.4163.8172.962.80000109.4Y412 V469Y412-C456 HydrophobicContact CD2-CB 3.74Å; Y412-C456 HydrophobicContact CE2-CB 3.71Å; Y412-C456 HydrophobicContact CG-CB 4.43Å; C456-V469 PolarHBondContact N-O 3.02Å; C456-V469 PolarHBondContact O-N 3.48Å
457L94.5Very high92.9Very high1 Ų141 Ų411%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-156.1152.8-175.261.797.9000109.4Y412 L426 G428 I434 V454 L466 A467 V468Y412-L457 HydrophobicContact CD1-CD1 4.23Å; Y412-L457 HydrophobicContact CD1-CD2 4.08Å; Y412-L457 HydrophobicContact CD1-CG 3.67Å; Y412-L457 HydrophobicContact CE1-CD1 4.48Å; Y412-L457 HydrophobicContact CE1-CG 4.15Å; Y412-L457 WeakPolarHBondContact CE1-O 3.03Å; Y412-L457 HydrophobicContact CG-CG 4.43Å; L426-L457 HydrophobicContact CB-CD1 4.23Å; L426-L457 HydrophobicContact CD1-CD1 4.38Å; L426-L457 HydrophobicContact CD2-CD1 3.11Å; L426-L457 HydrophobicContact CG-CD1 3.29Å; G428-L457 VanDerWaalsContact CA-CD2 3.47Å; I434-L457 HydrophobicContact CG2-CD2 4.47Å; V454-L457 HydrophobicContact CG1-CB 4.31Å; V454-L457 HydrophobicContact CG1-CD2 3.57Å; V454-L457 HydrophobicContact CG1-CG 4.45Å; L457-L466 HydrophobicContact CD1-CD1 4.43Å; L457-A467 CarbonylContact C-O 3.5Å; L457-A467 WeakPolarHBondContact CA-O 3.24Å; L457-A467 WeakPolarHBondContact CB-O 3.36Å; L457-V468 HydrophobicContact CB-CG1 4.31Å; L457-V468 HydrophobicContact CB-CG2 4.33Å
458D93.7Very high93Very high8 Ų840 Ų404%0.04321%0.21CC..EExtended strand (participates in β ladder)trans-147.4161.3174.8-159.69.6000111.1K414 A467 A496 W497K414-D458 WeakPolarHBondContact CD-OD1 3.27Å; K414-D458 WeakPolarHBondContact CE-OD1 3.21Å; K414-D458 IonicContact NZ-OD1 3.95Å; K414-D458 PolarHBondContact NZ-OD1 2.98Å; K414-D458 IonicContact NZ-OD2 3.57Å; K414-D458 PolarHBondContact NZ-OD2 2.84Å; D458-A467 PolarHBondContact N-O 3.23Å; D458-A467 PolarHBondContact O-N 3.16Å; D458-A496 WeakPolarHBondContact OD2-CA 3.37Å; D458-W497 VanDerWaalsContact C-CD1 3.46Å; D458-W497 PolarHBondContact O-NE1 2.89Å; D458-W497 PolarHBondContact OD2-N 2.9Å
459M92.1Very high93.1Very high16 Ų1639 Ų398%0.07921%0.205CC..EExtended strand (participates in β ladder)trans-127.6144.5-175.9-165.217957.900110.8I416 L426 R463 K465 L466 I480I416-M459 HydrophobicContact CB-CE 3.56Å; I416-M459 HydrophobicContact CD1-CE 3.7Å; I416-M459 HydrophobicContact CG1-CE 4.21Å; I416-M459 HydrophobicContact CG2-CE 3.55Å; L426-M459 HydrophobicContact CD2-CB 3.95Å; M459-R463 HydrophobicContact CE-CB 3.51Å; M459-R463 HydrophobicContact CE-CG 3.44Å; M459-R463 VanDerWaalsContact CE-CG 3.44Å; M459-R463 HydrophobicContact CG-CB 4.42Å; M459-R463 HydrophobicContact SD-CB 3.74Å; M459-R463 HydrophobicContact SD-CG 4.35Å; M459-K465 WeakPolarHBondContact CA-O 3.47Å; M459-K465 VanDerWaalsContact CG-O 3.29Å; M459-K465 WeakPolarHBondContact CG-O 3.37Å; M459-L466 HydrophobicContact CB-CD1 4.44Å; M459-I480 HydrophobicContact CG-CD1 4Å; M459-I480 HydrophobicContact SD-CD1 3.81Å
460S92.6Very high93.1Very high3 Ų332.8 Ų32.82%0.02118%0.178CC..  trans-64160.9179.970.10000112.7S462 R463 K464 K465 E502S460-S462 VanDerWaalsContact C-N 3.32Å; S460-S462 PolarHBondContact O-N 2.91Å; S460-R463 WeakPolarHBondContact O-CA 3.23Å; S460-R463 PolarHBondContact O-N 3.06Å; S460-K464 PolarHBondContact OG-N 3Å; S460-K465 PolarHBondContact N-O 3.43Å; S460-K465 PolarHBondContact OG-N 3.13Å; S460-E502 VanDerWaalsContact CB-CD 3.43Å; S460-E502 WeakPolarHBondContact CB-OE1 3.13Å; S460-E502 WeakPolarHBondContact CB-OE2 3.43Å; S460-E502 VanDerWaalsContact OG-CD 3.3Å; S460-E502 PolarHBondContact OG-OE1 2.81Å
461A86.6Confident93.1Very high60 Ų6036.8 Ų36.850%0.49620%0.196SC..THydrogen-bonded Turntrans-57.6-41.1-17500000113R463 E502A461-R463 VanDerWaalsContact C-N 3.27Å; A461-R463 PolarHBondContact O-N 2.82Å; A461-E502 WeakPolarHBondContact CA-OE2 3.37Å; A461-E502 WeakPolarHBondContact CB-OE2 3.49Å; A461-E502 PolarHBondContact N-OE2 2.91Å
462S88.9Confident93.2Very high55 Ų5540.1 Ų40.139%0.38519%0.19SC..THydrogen-bonded Turntrans-83.1-1.7176.790.90000113.6S460 K464 E502S460-S462 VanDerWaalsContact C-N 3.32Å; S460-S462 PolarHBondContact O-N 2.91Å; S462-K464 VanDerWaalsContact C-N 3.29Å; S462-K464 PolarHBondContact O-N 3.26Å; S462-K464 VanDerWaalsContact OG-CD 3.28Å; S462-K464 WeakPolarHBondContact OG-CD 3.26Å; S462-K464 VanDerWaalsContact OG-CG 3.28Å; S462-K464 WeakPolarHBondContact OG-CG 3.36Å; S462-E502 WeakPolarHBondContact CB-OE1 3.4Å; S462-E502 WeakPolarHBondContact CB-OE2 3.46Å; S462-E502 PolarHBondContact N-OE2 3.48Å; S462-E502 PolarHBondContact OG-OE1 3.03Å
463R89.6Confident93.1Very high93 Ų9339.8 Ų39.835%0.35119%0.189SC..SBendtrans63.231.9176.4-41.4-175.1173.5158.4-4.6113.7I416 G417 M459 S460 A461 I480I416-R463 PolarHBondContact O-NE 3.36Å; I416-R463 PolarHBondContact O-NH2 2.94Å; G417-R463 PolarHBondContact O-NH2 3.4Å; M459-R463 HydrophobicContact CE-CB 3.51Å; M459-R463 HydrophobicContact CE-CG 3.44Å; M459-R463 VanDerWaalsContact CE-CG 3.44Å; M459-R463 HydrophobicContact CG-CB 4.42Å; M459-R463 HydrophobicContact SD-CB 3.74Å; M459-R463 HydrophobicContact SD-CG 4.35Å; S460-R463 WeakPolarHBondContact O-CA 3.23Å; S460-R463 PolarHBondContact O-N 3.06Å; A461-R463 VanDerWaalsContact C-N 3.27Å; A461-R463 PolarHBondContact O-N 2.82Å; R463-I480 WeakPolarHBondContact O-CD1 3.49Å
464K91.3Very high93.1Very high112 Ų11241 Ų4149%0.48720%0.196SC..  trans-99.6-31178.7-68.3177.8-169.2172.70112.4S460 S462 I480S460-K464 PolarHBondContact OG-N 3Å; S462-K464 VanDerWaalsContact C-N 3.29Å; S462-K464 PolarHBondContact O-N 3.26Å; S462-K464 VanDerWaalsContact OG-CD 3.28Å; S462-K464 WeakPolarHBondContact OG-CD 3.26Å; S462-K464 VanDerWaalsContact OG-CG 3.28Å; S462-K464 WeakPolarHBondContact OG-CG 3.36Å; K464-I480 WeakPolarHBondContact O-CB 3.38Å; K464-I480 WeakPolarHBondContact O-CG1 3.06Å; K464-I480 PolarHBondContact O-N 2.73Å
465K94.1Very high93.1Very high36 Ų3641 Ų4116%0.15720%0.196CC..EExtended strand (participates in β ladder)trans-114140.7-177.6-60177.6-179.7175.80110.8M459 S460 Y478 L486 W497 D503M459-K465 WeakPolarHBondContact CA-O 3.47Å; M459-K465 VanDerWaalsContact CG-O 3.29Å; M459-K465 WeakPolarHBondContact CG-O 3.37Å; S460-K465 PolarHBondContact N-O 3.43Å; S460-K465 PolarHBondContact OG-N 3.13Å; K465-Y478 CarbonylContact C-O 3.46Å; K465-Y478 VanDerWaalsContact CA-O 3.31Å; K465-Y478 WeakPolarHBondContact CA-O 3.03Å; K465-L486 HydrophobicContact CD-CD1 3.91Å; K465-L486 HydrophobicContact CG-CD1 4.04Å; K465-W497 HydrophobicContact CB-CH2 3.9Å; K465-W497 HydrophobicContact CB-CZ2 3.75Å; K465-W497 HydrophobicContact CD-CH2 3.93Å; K465-D503 VanDerWaalsContact NZ-CG 3.29Å; K465-D503 IonicContact NZ-OD1 2.8Å; K465-D503 PolarHBondContact NZ-OD1 3.29Å; K465-D503 IonicContact NZ-OD2 3.98Å
466L95.4Very high93.2Very high0 Ų038 Ų380%019%0.186CC..EExtended strand (participates in β ladder)trans-119.6124.1177.9-17874.7000109.5L426 I434 L448 L457 M459 V468 V477 Y478 I480L426-L466 HydrophobicContact CD1-CD1 4.42Å; L426-L466 HydrophobicContact CD2-CD1 3.83Å; I434-L466 HydrophobicContact CD1-CD2 3.74Å; I434-L466 HydrophobicContact CG2-CD2 4.07Å; L448-L466 HydrophobicContact CD1-CD2 3.87Å; L457-L466 HydrophobicContact CD1-CD1 4.43Å; M459-L466 HydrophobicContact CB-CD1 4.44Å; L466-V468 HydrophobicContact CD2-CG2 3.71Å; L466-V468 HydrophobicContact CG-CG2 3.79Å; L466-V477 CarbonylContact O-C 3.57Å; L466-V477 WeakPolarHBondContact O-CA 3.42Å; L466-Y478 PolarHBondContact N-O 2.75Å; L466-Y478 PolarHBondContact O-N 3.01Å; L466-I480 HydrophobicContact CB-CD1 4.13Å; L466-I480 HydrophobicContact CB-CG1 3.93Å
467A95.7Very high93.4Very high0 Ų037.3 Ų37.30%018%0.182CC..EExtended strand (participates in β ladder)trans-102.5133.4171.400000109.6L457 D458 L475 L476 V477 V495 W497 L505L457-A467 CarbonylContact C-O 3.5Å; L457-A467 WeakPolarHBondContact CA-O 3.24Å; L457-A467 WeakPolarHBondContact CB-O 3.36Å; D458-A467 PolarHBondContact N-O 3.23Å; D458-A467 PolarHBondContact O-N 3.16Å; A467-L475 HydrophobicContact CB-CD1 4.02Å; A467-L476 CarbonylContact C-O 3.58Å; A467-L476 WeakPolarHBondContact CA-O 3.23Å; A467-V477 HydrophobicContact CB-CG2 4.01Å; A467-V495 HydrophobicContact CB-CG1 4.25Å; A467-V495 HydrophobicContact CB-CG2 3.85Å; A467-W497 HydrophobicContact CB-CZ2 4.15Å; A467-W497 VanDerWaalsContact CB-NE1 3.25Å; A467-L505 HydrophobicContact CB-CD2 4.28Å
468V96.1Very high93.4Very high0 Ų038.9 Ų38.90%019%0.188CC..EExtended strand (participates in β ladder)trans-136.3130.4-177.3-169.20000108.9I434 L450 V454 L457 L466 L475 L476I434-V468 HydrophobicContact CD1-CB 4.28Å; I434-V468 HydrophobicContact CD1-CG1 3.94Å; I434-V468 HydrophobicContact CD1-CG2 3.37Å; L450-V468 HydrophobicContact CD1-CB 4.12Å; L450-V468 HydrophobicContact CD1-CG1 3.64Å; V454-V468 HydrophobicContact CG1-CG1 3.79Å; V454-V468 HydrophobicContact CG2-CG1 4.29Å; L457-V468 HydrophobicContact CB-CG1 4.31Å; L457-V468 HydrophobicContact CB-CG2 4.33Å; L466-V468 HydrophobicContact CD2-CG2 3.71Å; L466-V468 HydrophobicContact CG-CG2 3.79Å; V468-L475 CarbonylContact O-C 3.49Å; V468-L475 WeakPolarHBondContact O-CA 3.4Å; V468-L476 PolarHBondContact N-O 3Å; V468-L476 PolarHBondContact O-N 3.03Å
469V95.9Very high93.4Very high0 Ų040.1 Ų40.10%020%0.195CC..EExtended strand (participates in β ladder)trans-102.4124.4169.31780000108.2R455 C456 T474 L475 A492 V495R455-V469 HydrophobicContact CB-CG1 4.46Å; R455-V469 WeakPolarHBondContact CB-O 3.32Å; R455-V469 PolarHBondContact N-O 3.25Å; C456-V469 PolarHBondContact N-O 3.02Å; C456-V469 PolarHBondContact O-N 3.48Å; V469-T474 WeakPolarHBondContact CA-O 3.4Å; V469-L475 HydrophobicContact CG2-CB 4.39Å; V469-L475 HydrophobicContact CG2-CD1 4.08Å; V469-A492 HydrophobicContact CG1-CB 4.43Å; V469-A492 WeakPolarHBondContact CG1-O 3.49Å; V469-A492 HydrophobicContact CG2-CB 4.15Å; V469-V495 HydrophobicContact CG2-CB 3.94Å; V469-V495 HydrophobicContact CG2-CG1 3.75Å
470D94.6Very high93.4Very high10 Ų1041 Ų415%0.05320%0.199CC..EExtended strand (participates in β ladder)trans-86.2-178.9177.973.812.5000112.8L452 S453 R455 R472 N473 T474L452-D470 HydrophobicContact CB-CB 4.19Å; L452-D470 HydrophobicContact CD1-CB 4.47Å; L452-D470 WeakPolarHBondContact CD1-OD2 3.44Å; S453-D470 WeakPolarHBondContact O-CA 3.49Å; R455-D470 PolarHBondContact NH1-O 2.94Å; D470-R472 VanDerWaalsContact C-N 3.29Å; D470-R472 PolarHBondContact O-N 3.21Å; D470-R472 WeakPolarHBondContact OD1-CA 3.25Å; D470-R472 WeakPolarHBondContact OD1-CB 3.21Å; D470-R472 PolarHBondContact OD1-N 2.87Å; D470-N473 PolarHBondContact O-N 3.37Å; D470-N473 PolarHBondContact OD1-N 3.44Å; D470-N473 VanDerWaalsContact OD1-N 3.15Å; D470-T474 PolarHBondContact N-O 3.37Å; D470-T474 PolarHBondContact OD1-N 2.77Å
471E92.6Very high93.3Very high105 Ų10549.3 Ų49.349%0.49124%0.235SC..THydrogen-bonded Turntrans-70.8-21.4178.4-168.3163.5-151.100113.8S453 R455 N473S453-E471 WeakPolarHBondContact CB-OE2 3.33Å; S453-E471 PolarHBondContact O-N 3.27Å; S453-E471 VanDerWaalsContact O-N 3.12Å; R455-E471 PolarHBondContact NH1-O 3.15Å; E471-N473 PolarHBondContact O-N 2.97Å
472R93.1Very high93.6Very high188 Ų18849.3 Ų49.371%0.70923%0.231SC*.THydrogen-bonded Turntrans-84.511.2175.6-68.5-175-178.3-171.2-0.3113L452 D470 T474L452-R472 HydrophobicContact CD1-CB 4.48Å; L452-R472 HydrophobicContact CD1-CG 3.93Å; D470-R472 VanDerWaalsContact C-N 3.29Å; D470-R472 PolarHBondContact O-N 3.21Å; D470-R472 WeakPolarHBondContact OD1-CA 3.25Å; D470-R472 WeakPolarHBondContact OD1-CB 3.21Å; D470-R472 PolarHBondContact OD1-N 2.87Å; R472-T474 VanDerWaalsContact C-N 3.3Å; R472-T474 PolarHBondContact O-N 3.27Å
473N93.4Very high93.8Very high43 Ų4352.7 Ų52.723%0.2324%0.239CC..SBendtrans60.937.1-176.8-52.1-21.5000112.3R455 D470 E471 N491 A492R455-N473 PolarHBondContact NH1-OD1 2.82Å; R455-N473 PolarHBondContact NH2-OD1 3.44Å; D470-N473 PolarHBondContact O-N 3.37Å; D470-N473 PolarHBondContact OD1-N 3.44Å; D470-N473 VanDerWaalsContact OD1-N 3.15Å; E471-N473 PolarHBondContact O-N 2.97Å; N473-N491 CarbonylContact O-C 3.54Å; N473-N491 WeakPolarHBondContact O-CA 2.99Å; N473-N491 PolarHBondContact O-N 2.9Å; N473-A492 CarbonylContact C-O 3.36Å; N473-A492 VanDerWaalsContact C-O 3.31Å; N473-A492 WeakPolarHBondContact CA-O 3.39Å; N473-A492 VanDerWaalsContact CB-O 3.3Å; N473-A492 WeakPolarHBondContact CB-O 3.38Å; N473-A492 PolarHBondContact O-N 3.38Å
474T94.6Very high94.1Very high34 Ų3454.6 Ų54.621%0.20925%0.252CS..  trans-107.1128.1174.4-52.20000109.5V469 D470 R472 L476V469-T474 WeakPolarHBondContact CA-O 3.4Å; D470-T474 PolarHBondContact N-O 3.37Å; D470-T474 PolarHBondContact OD1-N 2.77Å; R472-T474 VanDerWaalsContact C-N 3.3Å; R472-T474 PolarHBondContact O-N 3.27Å; T474-L476 HydrophobicContact CG2-CD2 4.09Å; T474-L476 HydrophobicContact CG2-CG 4.42Å
475L95.5Very high94.2Very high0 Ų053 Ų530%025%0.248CC..EExtended strand (participates in β ladder)trans-84.3127.8170.2170.462.5000109.2A467 V468 V469 V477 Q488 E489 A492 V495 L505 F507A467-L475 HydrophobicContact CB-CD1 4.02Å; V468-L475 CarbonylContact O-C 3.49Å; V468-L475 WeakPolarHBondContact O-CA 3.4Å; V469-L475 HydrophobicContact CG2-CB 4.39Å; V469-L475 HydrophobicContact CG2-CD1 4.08Å; L475-V477 HydrophobicContact CD1-CG2 4.16Å; L475-V477 HydrophobicContact CG-CG2 4.25Å; L475-Q488 CarbonylContact O-C 3.57Å; L475-Q488 WeakPolarHBondContact O-CA 3.46Å; L475-E489 HydrophobicContact CB-CB 4.28Å; L475-E489 HydrophobicContact CD2-CB 4.44Å; L475-E489 PolarHBondContact N-O 2.85Å; L475-E489 PolarHBondContact O-N 3.37Å; L475-A492 HydrophobicContact CB-CB 3.65Å; L475-V495 HydrophobicContact CD1-CB 4.06Å; L475-V495 HydrophobicContact CD1-CG1 4.29Å; L475-V495 HydrophobicContact CD1-CG2 3.77Å; L475-V495 HydrophobicContact CD2-CG2 4.31Å; L475-L505 HydrophobicContact CD2-CD1 3.92Å; L475-F507 HydrophobicContact CD2-CB 4.09Å; L475-F507 HydrophobicContact CD2-CD1 3.53Å; L475-F507 HydrophobicContact CD2-CD2 4.44Å; L475-F507 HydrophobicContact CD2-CE1 3.97Å; L475-F507 HydrophobicContact CD2-CG 3.79Å
476L95.4Very high94.2Very high19 Ų1954.5 Ų54.510%0.09926%0.258CS..EExtended strand (participates in β ladder)trans-124128.6177.3-57.8167.4000108.8L450 A467 V468 T474 Y478 L485 Q488L450-L476 HydrophobicContact CD1-CD1 4.28Å; L450-L476 HydrophobicContact CD2-CD1 4.48Å; A467-L476 CarbonylContact C-O 3.58Å; A467-L476 WeakPolarHBondContact CA-O 3.23Å; V468-L476 PolarHBondContact N-O 3Å; V468-L476 PolarHBondContact O-N 3.03Å; T474-L476 HydrophobicContact CG2-CD2 4.09Å; T474-L476 HydrophobicContact CG2-CG 4.42Å; L476-Y478 HydrophobicContact CB-CD2 4.35Å; L476-Y478 HydrophobicContact CB-CE2 3.57Å; L476-Y478 HydrophobicContact CD1-CE2 4.42Å; L476-L485 HydrophobicContact CB-CD1 4.08Å; L476-L485 HydrophobicContact CD2-CD1 4.16Å; L476-Q488 HydrophobicContact CD2-CB 3.75Å
477V95.5Very high94.1Very high0 Ų055.7 Ų55.70%026%0.263CS..EExtended strand (participates in β ladder)trans-118.1125.4179.5-179.50000110.6L466 A467 L475 L485 L486 F487 W497 L505L466-V477 CarbonylContact O-C 3.57Å; L466-V477 WeakPolarHBondContact O-CA 3.42Å; A467-V477 HydrophobicContact CB-CG2 4.01Å; L475-V477 HydrophobicContact CD1-CG2 4.16Å; L475-V477 HydrophobicContact CG-CG2 4.25Å; V477-L485 WeakPolarHBondContact O-CD1 3.4Å; V477-L486 HydrophobicContact CG1-CB 4.48Å; V477-L486 HydrophobicContact CG1-CD1 4.26Å; V477-L486 WeakPolarHBondContact O-CB 3.24Å; V477-L486 PolarHBondContact O-N 3.35Å; V477-F487 HydrophobicContact CB-CD1 4.3Å; V477-F487 HydrophobicContact CB-CD2 4.19Å; V477-F487 HydrophobicContact CB-CE1 3.99Å; V477-F487 HydrophobicContact CB-CE2 3.85Å; V477-F487 HydrophobicContact CB-CG 4.41Å; V477-F487 HydrophobicContact CB-CZ 3.77Å; V477-F487 HydrophobicContact CG1-CE1 4.01Å; V477-F487 HydrophobicContact CG1-CZ 4.02Å; V477-F487 HydrophobicContact CG2-CD2 4.04Å; V477-F487 HydrophobicContact CG2-CE1 4.21Å; V477-F487 HydrophobicContact CG2-CE2 3.34Å; V477-F487 HydrophobicContact CG2-CZ 3.47Å; V477-F487 VanDerWaalsContact CG2-CZ 3.47Å; V477-F487 PolarHBondContact N-O 2.96Å; V477-W497 HydrophobicContact CG1-CH2 4.08Å; V477-W497 HydrophobicContact CG1-CZ2 3.78Å; V477-L505 HydrophobicContact CG2-CD2 3.84Å
478Y95.2Very high94Very high34 Ų3461.5 Ų61.513%0.13329%0.29CS..EExtended strand (participates in β ladder)trans-120.3149.5-176.3-65.1-93.1000112L448 L450 K465 L466 L476 E484 L485L448-Y478 HydrophobicContact CD1-CD1 4.1Å; L448-Y478 HydrophobicContact CD1-CD2 3.93Å; L448-Y478 HydrophobicContact CD1-CG 3.61Å; L450-Y478 HydrophobicContact CD2-CE2 3.87Å; L450-Y478 WeakPolarHBondContact CD2-OH 3.45Å; K465-Y478 CarbonylContact C-O 3.46Å; K465-Y478 VanDerWaalsContact CA-O 3.31Å; K465-Y478 WeakPolarHBondContact CA-O 3.03Å; L466-Y478 PolarHBondContact N-O 2.75Å; L466-Y478 PolarHBondContact O-N 3.01Å; L476-Y478 HydrophobicContact CB-CD2 4.35Å; L476-Y478 HydrophobicContact CB-CE2 3.57Å; L476-Y478 HydrophobicContact CD1-CE2 4.42Å; Y478-E484 VanDerWaalsContact CA-O 3.29Å; Y478-E484 WeakPolarHBondContact CA-O 3.41Å; Y478-L485 HydrophobicContact CD1-CB 4.06Å; Y478-L485 HydrophobicContact CD1-CD1 4.16Å; Y478-L485 HydrophobicContact CD2-CD1 4.27Å; Y478-L485 HydrophobicContact CE1-CB 3.77Å; Y478-L485 HydrophobicContact CE1-CD1 3.73Å; Y478-L485 HydrophobicContact CE1-CG 4.34Å; Y478-L485 HydrophobicContact CE2-CD1 3.87Å; Y478-L485 HydrophobicContact CG-CD1 4.4Å
479D94.3Very high93.9Very high35 Ų3563.5 Ų63.519%0.18730%0.299CS..EExtended strand (participates in β ladder)trans-83.5130.3160.3176.3-89.4000110K481 S482 K483 E484 L486D479-K481 PolarHBondContact OD1-N 2.99Å; D479-S482 VanDerWaalsContact CB-OG 3.3Å; D479-S482 WeakPolarHBondContact CB-OG 3.01Å; D479-S482 WeakPolarHBondContact OD1-CB 3.23Å; D479-S482 PolarHBondContact OD1-N 2.78Å; D479-S482 PolarHBondContact OD1-OG 3.23Å; D479-K483 WeakPolarHBondContact O-CA 3.47Å; D479-K483 PolarHBondContact O-N 2.83Å; D479-E484 PolarHBondContact N-O 2.83Å; D479-L486 HydrophobicContact CB-CD1 4.36Å; D479-L486 HydrophobicContact CB-CD2 4.23Å; D479-L486 HydrophobicContact CB-CG 4.4Å
480I91.7Very high93.8Very high33 Ų3367.2 Ų67.217%0.16932%0.324CS..THydrogen-bonded Turntrans-74.3-30.7-171-66.8167.8000111.9L447 M459 R463 K464 L466L447-I480 HydrophobicContact CD2-CG2 4.23Å; M459-I480 HydrophobicContact CG-CD1 4Å; M459-I480 HydrophobicContact SD-CD1 3.81Å; R463-I480 WeakPolarHBondContact O-CD1 3.49Å; K464-I480 WeakPolarHBondContact O-CB 3.38Å; K464-I480 WeakPolarHBondContact O-CG1 3.06Å; K464-I480 PolarHBondContact O-N 2.73Å; L466-I480 HydrophobicContact CB-CD1 4.13Å; L466-I480 HydrophobicContact CB-CG1 3.93Å
481K91Very high93.7Very high179 Ų17970.7 Ų70.778%0.77834%0.342SS*.THydrogen-bonded Turntrans-79.2-50.3-176.5-71.4-173.2177.8-1740111.2D479D479-K481 PolarHBondContact OD1-N 2.99Å
482S92.7Very high93.7Very high59 Ų5965.7 Ų65.741%0.41332%0.319SS..THydrogen-bonded Turntrans-79.6-24.4179.860.70000112.8D479 E484D479-S482 VanDerWaalsContact CB-OG 3.3Å; D479-S482 WeakPolarHBondContact CB-OG 3.01Å; D479-S482 WeakPolarHBondContact OD1-CB 3.23Å; D479-S482 PolarHBondContact OD1-N 2.78Å; D479-S482 PolarHBondContact OD1-OG 3.23Å; S482-E484 PolarHBondContact O-N 2.77Å; S482-E484 PolarHBondContact OG-N 2.85Å
483K92.6Very high93.6Very high126 Ų12658.8 Ų58.855%0.54830%0.296SS..  trans63.815.8-170.9-56.7180176.71780113.8L448 D479L448-K483 HydrophobicContact CD2-CB 3.89Å; L448-K483 HydrophobicContact CD2-CD 4.24Å; L448-K483 HydrophobicContact CD2-CG 3.96Å; D479-K483 WeakPolarHBondContact O-CA 3.47Å; D479-K483 PolarHBondContact O-N 2.83Å
484E94.7Very high93.6Very high133 Ų13357.4 Ų57.462%0.62129%0.289SS*.  trans-77.6141.7177.2-68.3179.7175.100111.3Y478 D479 S482 L486Y478-E484 VanDerWaalsContact CA-O 3.29Å; Y478-E484 WeakPolarHBondContact CA-O 3.41Å; D479-E484 PolarHBondContact N-O 2.83Å; S482-E484 PolarHBondContact O-N 2.77Å; S482-E484 PolarHBondContact OG-N 2.85Å; E484-L486 PolarHBondContact O-N 3.05Å
485L94.3Very high93.6Very high80 Ų8056.2 Ų56.242%0.41928%0.282SS..EExtended strand (participates in β ladder)trans-76.8117.8171.8179.972.5000108.6L476 V477 Y478L476-L485 HydrophobicContact CB-CD1 4.08Å; L476-L485 HydrophobicContact CD2-CD1 4.16Å; V477-L485 WeakPolarHBondContact O-CD1 3.4Å; Y478-L485 HydrophobicContact CD1-CB 4.06Å; Y478-L485 HydrophobicContact CD1-CD1 4.16Å; Y478-L485 HydrophobicContact CD2-CD1 4.27Å; Y478-L485 HydrophobicContact CE1-CB 3.77Å; Y478-L485 HydrophobicContact CE1-CD1 3.73Å; Y478-L485 HydrophobicContact CE1-CG 4.34Å; Y478-L485 HydrophobicContact CE2-CD1 3.87Å; Y478-L485 HydrophobicContact CG-CD1 4.4Å
486L93.1Very high93.5Very high67 Ų6756.3 Ų56.335%0.35128%0.283SS..EExtended strand (participates in β ladder)trans-79.7-48.2-180-60.2-179.2000111.7K465 V477 D479 E484K465-L486 HydrophobicContact CD-CD1 3.91Å; K465-L486 HydrophobicContact CG-CD1 4.04Å; V477-L486 HydrophobicContact CG1-CB 4.48Å; V477-L486 HydrophobicContact CG1-CD1 4.26Å; V477-L486 WeakPolarHBondContact O-CB 3.24Å; V477-L486 PolarHBondContact O-N 3.35Å; D479-L486 HydrophobicContact CB-CD1 4.36Å; D479-L486 HydrophobicContact CB-CD2 4.23Å; D479-L486 HydrophobicContact CB-CG 4.4Å; E484-L486 PolarHBondContact O-N 3.05Å
487F93.9Very high93.5Very high24 Ų2455.9 Ų55.911%0.10528%0.28CS..EExtended strand (participates in β ladder)trans-163.2168.1175.760.3-98.6000111.5V477 E489 L505 K516 S518V477-F487 HydrophobicContact CB-CD1 4.3Å; V477-F487 HydrophobicContact CB-CD2 4.19Å; V477-F487 HydrophobicContact CB-CE1 3.99Å; V477-F487 HydrophobicContact CB-CE2 3.85Å; V477-F487 HydrophobicContact CB-CG 4.41Å; V477-F487 HydrophobicContact CB-CZ 3.77Å; V477-F487 HydrophobicContact CG1-CE1 4.01Å; V477-F487 HydrophobicContact CG1-CZ 4.02Å; V477-F487 HydrophobicContact CG2-CD2 4.04Å; V477-F487 HydrophobicContact CG2-CE1 4.21Å; V477-F487 HydrophobicContact CG2-CE2 3.34Å; V477-F487 HydrophobicContact CG2-CZ 3.47Å; V477-F487 VanDerWaalsContact CG2-CZ 3.47Å; V477-F487 PolarHBondContact N-O 2.96Å; F487-E489 HydrophobicContact CD2-CG 4.42Å; F487-L505 HydrophobicContact CE2-CD2 4.42Å; F487-L505 HydrophobicContact CZ-CD2 3.95Å; F487-K516 HydrophobicContact CD2-CD 3.85Å; F487-K516 VanDerWaalsContact CD2-CE 3.43Å; F487-K516 HydrophobicContact CE1-CD 4.44Å; F487-K516 HydrophobicContact CE2-CD 3.44Å; F487-K516 VanDerWaalsContact CE2-CD 3.44Å; F487-K516 HydrophobicContact CZ-CD 3.76Å; F487-S518 VanDerWaalsContact CE1-O 3.28Å; F487-S518 WeakPolarHBondContact CE1-O 3.44Å
488Q94.4Very high93.3Very high122 Ų12256 Ų5657%0.5728%0.28SS*.EExtended strand (participates in β ladder)trans-137.5148.5174.967.1179.82800111.8L475 L476L475-Q488 CarbonylContact O-C 3.57Å; L475-Q488 WeakPolarHBondContact O-CA 3.46Å; L476-Q488 HydrophobicContact CD2-CB 3.75Å
489E94.4Very high92.9Very high42 Ų4257.5 Ų57.520%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-136.3132.4177.7-65.1-65167.900110.7L475 F487 F507 K516 V522L475-E489 HydrophobicContact CB-CB 4.28Å; L475-E489 HydrophobicContact CD2-CB 4.44Å; L475-E489 PolarHBondContact N-O 2.85Å; L475-E489 PolarHBondContact O-N 3.37Å; F487-E489 HydrophobicContact CD2-CG 4.42Å; E489-F507 HydrophobicContact CB-CE1 4.24Å; E489-F507 HydrophobicContact CB-CE2 4.05Å; E489-F507 HydrophobicContact CB-CZ 3.63Å; E489-F507 HydrophobicContact CG-CE1 4.1Å; E489-F507 HydrophobicContact CG-CZ 3.81Å; E489-K516 HydrophobicContact CG-CD 4.16Å; E489-K516 WeakPolarHBondContact OE1-CE 3.41Å; E489-K516 IonicContact OE1-NZ 2.74Å; E489-K516 PolarHBondContact OE1-NZ 3.2Å; E489-V522 HydrophobicContact CG-CG2 4.19Å; E489-V522 WeakPolarHBondContact OE1-CG2 3.4Å
490P93.8Very high92.6Very high79 Ų7961.6 Ų61.651%0.51331%0.311SS..SBendtrans-79169.2177.733.8-35.3000112.1A492P490-A492 VanDerWaalsContact C-N 3.35Å; P490-A492 PolarHBondContact O-N 2.87Å
491N90.8Very high92.4Very high83 Ų8360.3 Ų60.344%0.44431%0.305SS..SBendtrans58.837.6173.9-56.8-50.6000114.7N473 G509 N510N473-N491 CarbonylContact O-C 3.54Å; N473-N491 WeakPolarHBondContact O-CA 2.99Å; N473-N491 PolarHBondContact O-N 2.9Å; N491-G509 WeakPolarHBondContact O-CA 3.41Å; N491-N510 WeakPolarHBondContact CB-ND2 3.39Å; N491-N510 PolarHBondContact OD1-ND2 2.83Å
492A93.1Very high92.2Very high0 Ų053.8 Ų53.80%028%0.278CS..  trans-100.8127.717400000111.1V469 N473 L475 P490 F507V469-A492 HydrophobicContact CG1-CB 4.43Å; V469-A492 WeakPolarHBondContact CG1-O 3.49Å; V469-A492 HydrophobicContact CG2-CB 4.15Å; N473-A492 CarbonylContact C-O 3.36Å; N473-A492 VanDerWaalsContact C-O 3.31Å; N473-A492 WeakPolarHBondContact CA-O 3.39Å; N473-A492 VanDerWaalsContact CB-O 3.3Å; N473-A492 WeakPolarHBondContact CB-O 3.38Å; N473-A492 PolarHBondContact O-N 3.38Å; L475-A492 HydrophobicContact CB-CB 3.65Å; P490-A492 VanDerWaalsContact C-N 3.35Å; P490-A492 PolarHBondContact O-N 2.87Å; A492-F507 HydrophobicContact CB-CB 4.35Å; A492-F507 HydrophobicContact CB-CD2 3.68Å; A492-F507 HydrophobicContact CB-CE2 4.35Å; A492-F507 HydrophobicContact CB-CG 4.33Å
493N91.5Very high92Very high42 Ų4253.1 Ų53.123%0.22527%0.27CS..SBendtrans-104.5-32.9175.6-68.5-16.6000112.4S508 F530N493-S508 WeakPolarHBondContact CB-O 3.1Å; N493-S508 PolarHBondContact N-O 2.89Å; N493-F530 HydrophobicContact CB-CD1 3.97Å; N493-F530 HydrophobicContact CB-CE1 3.77Å
494S93.1Very high92Very high14 Ų1447.1 Ų47.110%0.09824%0.243CC..EExtended strand (participates in β ladder)trans-143.4157.5174.268.20000111.5F507 S508 M531S494-F507 CarbonylContact O-C 3.56Å; S494-F507 WeakPolarHBondContact O-CA 3.27Å; S494-F507 WeakPolarHBondContact O-CB 3.16Å; S494-S508 PolarHBondContact N-O 2.93Å; S494-S508 PolarHBondContact O-N 3.47Å; S494-S508 VanDerWaalsContact O-N 3.13Å; S494-S508 PolarHBondContact OG-OG 2.95Å; S494-M531 WeakPolarHBondContact CB-O 3.15Å; S494-M531 WeakPolarHBondContact OG-CB 3.47Å; S494-M531 PolarHBondContact OG-N 3.43Å; S494-M531 PolarHBondContact OG-O 2.84Å
495V94.7Very high91.9Very high9 Ų940.9 Ų40.96%0.05521%0.214CC..EExtended strand (participates in β ladder)trans-141.5143.8-179.3640000110.6A467 V469 L475 L505 C506 F507A467-V495 HydrophobicContact CB-CG1 4.25Å; A467-V495 HydrophobicContact CB-CG2 3.85Å; V469-V495 HydrophobicContact CG2-CB 3.94Å; V469-V495 HydrophobicContact CG2-CG1 3.75Å; L475-V495 HydrophobicContact CD1-CB 4.06Å; L475-V495 HydrophobicContact CD1-CG1 4.29Å; L475-V495 HydrophobicContact CD1-CG2 3.77Å; L475-V495 HydrophobicContact CD2-CG2 4.31Å; V495-L505 HydrophobicContact CG2-CD1 4.27Å; V495-L505 HydrophobicContact CG2-CD2 4.49Å; V495-C506 WeakPolarHBondContact CA-O 3.35Å; V495-F507 HydrophobicContact CB-CB 4.34Å; V495-F507 HydrophobicContact CG2-CB 4.4Å
496A93.9Very high91.8Very high2 Ų237 Ų372%0.01719%0.194CC..EExtended strand (participates in β ladder)trans-143.2134.3171.400000110.9D458 L505 C506D458-A496 WeakPolarHBondContact OD2-CA 3.37Å; A496-L505 WeakPolarHBondContact O-CA 3.44Å; A496-L505 WeakPolarHBondContact O-CB 3.48Å; A496-C506 PolarHBondContact N-O 2.94Å; A496-C506 PolarHBondContact O-N 3.22Å
497W94.1Very high91.9Very high11 Ų1134 Ų344%0.04218%0.178CC..EExtended strand (participates in β ladder)trans-78.6147.3169.8-7694.7000110.7D458 K465 A467 V477 T499 E502 L505D458-W497 VanDerWaalsContact C-CD1 3.46Å; D458-W497 PolarHBondContact O-NE1 2.89Å; D458-W497 PolarHBondContact OD2-N 2.9Å; K465-W497 HydrophobicContact CB-CH2 3.9Å; K465-W497 HydrophobicContact CB-CZ2 3.75Å; K465-W497 HydrophobicContact CD-CH2 3.93Å; A467-W497 HydrophobicContact CB-CZ2 4.15Å; A467-W497 VanDerWaalsContact CB-NE1 3.25Å; V477-W497 HydrophobicContact CG1-CH2 4.08Å; V477-W497 HydrophobicContact CG1-CZ2 3.78Å; W497-T499 PolarHBondContact O-N 2.94Å; W497-E502 VanDerWaalsContact CE3-O 3.32Å; W497-E502 WeakPolarHBondContact CZ3-O 3.35Å; W497-L505 HydrophobicContact CD2-CB 3.98Å; W497-L505 HydrophobicContact CD2-CD2 4.32Å; W497-L505 HydrophobicContact CE3-CB 3.86Å; W497-L505 HydrophobicContact CE3-CD2 4.38Å; W497-L505 HydrophobicContact CG-CB 4.42Å; W497-L505 HydrophobicContact CH2-CD2 3.77Å; W497-L505 HydrophobicContact CZ2-CD2 3.7Å; W497-L505 HydrophobicContact CZ3-CB 4.22Å; W497-L505 HydrophobicContact CZ3-CD2 4.11Å
498N91.6Very high91.9Very high1 Ų132.9 Ų32.91%0.00517%0.174CC..BIsolated β-bridgetrans-67.8131.1170.4-167.4-70.1000109.9Q500 C501 M504 Y534 G536N498-Q500 VanDerWaalsContact C-N 3.31Å; N498-Q500 PolarHBondContact O-N 3.41Å; N498-Q500 WeakPolarHBondContact OD1-CA 2.93Å; N498-Q500 WeakPolarHBondContact OD1-CB 3.13Å; N498-Q500 PolarHBondContact OD1-N 2.94Å; N498-C501 HydrophobicContact CB-CB 4.27Å; N498-C501 PolarHBondContact OD1-N 3.32Å; N498-M504 HydrophobicContact CB-CB 4.21Å; N498-M504 HydrophobicContact CB-CE 3.94Å; N498-M504 WeakPolarHBondContact CB-O 3.43Å; N498-M504 PolarHBondContact N-O 2.86Å; N498-M504 VanDerWaalsContact ND2-CE 3.27Å; N498-M504 WeakPolarHBondContact ND2-CE 3.2Å; N498-Y534 WeakPolarHBondContact CA-O 3.17Å; N498-Y534 HydrophobicContact CB-CD1 3.7Å; N498-Y534 HydrophobicContact CB-CD2 4.48Å; N498-Y534 HydrophobicContact CB-CE1 3.92Å; N498-Y534 HydrophobicContact CB-CG 4.02Å; N498-Y534 WeakPolarHBondContact ND2-CD2 3.36Å; N498-Y534 WeakPolarHBondContact ND2-CE2 3.47Å; N498-Y534 VanDerWaalsContact ND2-CZ 3.26Å; N498-G536 PolarHBondContact ND2-O 2.81Å
499T88Confident91.6Very high66 Ų6627.3 Ų27.341%0.40515%0.149SC..SBendtrans-75.5-16.8-178.649.70000114.4W497 Y534 N535W497-T499 PolarHBondContact O-N 2.94Å; T499-Y534 PolarHBondContact N-O 3.04Å; T499-Y534 PolarHBondContact OG1-O 3.05Å; T499-N535 WeakPolarHBondContact OG1-CA 3.47Å; T499-N535 WeakPolarHBondContact OG1-CB 3.39Å; T499-N535 PolarHBondContact OG1-OD1 2.93Å
500Q87.2Confident91.2Very high121 Ų12130.2 Ų30.257%0.56517%0.166SC*.SBendtrans-105.5-24.5-178.8-58.1-177.41200112.7N498 N535 L576N498-Q500 VanDerWaalsContact C-N 3.31Å; N498-Q500 PolarHBondContact O-N 3.41Å; N498-Q500 WeakPolarHBondContact OD1-CA 2.93Å; N498-Q500 WeakPolarHBondContact OD1-CB 3.13Å; N498-Q500 PolarHBondContact OD1-N 2.94Å; Q500-N535 PolarHBondContact NE2-OD1 2.75Å; Q500-L576 HydrophobicContact CB-CD2 3.92Å
501C87.4Confident90.8Very high6 Ų628.4 Ų28.44%0.04116%0.162CC..  trans-122.1120.8-179-174.80000111.8N498 D503 M504 I573 L576N498-C501 HydrophobicContact CB-CB 4.27Å; N498-C501 PolarHBondContact OD1-N 3.32Å; C501-D503 PolarHBondContact O-N 2.95Å; C501-M504 HydrophobicContact CB-CB 4.16Å; C501-M504 HydrophobicContact CB-CE 4.1Å; C501-I573 VanDerWaalsContact SG-CD1 3.54Å; C501-L576 HydrophobicContact CB-CD1 4.01Å
502E87.7Confident90.8Very high42 Ų4228.6 Ų28.620%0.19616%0.157CC..THydrogen-bonded Turntrans-64.4-36.9-173.3179.363.1-178.800113.8S460 A461 S462 W497S460-E502 VanDerWaalsContact CB-CD 3.43Å; S460-E502 WeakPolarHBondContact CB-OE1 3.13Å; S460-E502 WeakPolarHBondContact CB-OE2 3.43Å; S460-E502 VanDerWaalsContact OG-CD 3.3Å; S460-E502 PolarHBondContact OG-OE1 2.81Å; A461-E502 WeakPolarHBondContact CA-OE2 3.37Å; A461-E502 WeakPolarHBondContact CB-OE2 3.49Å; A461-E502 PolarHBondContact N-OE2 2.91Å; S462-E502 WeakPolarHBondContact CB-OE1 3.4Å; S462-E502 WeakPolarHBondContact CB-OE2 3.46Å; S462-E502 PolarHBondContact N-OE2 3.48Å; S462-E502 PolarHBondContact OG-OE1 3.03Å; W497-E502 VanDerWaalsContact CE3-O 3.32Å; W497-E502 WeakPolarHBondContact CZ3-O 3.35Å
503D88.3Confident90.6Very high46 Ų4628.6 Ų28.625%0.24616%0.157CC..THydrogen-bonded Turntrans-101.721.4-169.3-74.4-7.7000112.5K465 C501 A517 S518K465-D503 VanDerWaalsContact NZ-CG 3.29Å; K465-D503 IonicContact NZ-OD1 2.8Å; K465-D503 PolarHBondContact NZ-OD1 3.29Å; K465-D503 IonicContact NZ-OD2 3.98Å; C501-D503 PolarHBondContact O-N 2.95Å; D503-A517 CarbonylContact O-C 3.32Å; D503-A517 WeakPolarHBondContact O-CA 3.48Å; D503-S518 PolarHBondContact O-N 3.22Å
504M91.4Very high90.6Very high0 Ų027 Ų270%015%0.148CC..EExtended strand (participates in β ladder)trans-130.5131.8-177.4-165.117159.900111.6N498 C501 I515 Y534 I573 L576N498-M504 HydrophobicContact CB-CB 4.21Å; N498-M504 HydrophobicContact CB-CE 3.94Å; N498-M504 WeakPolarHBondContact CB-O 3.43Å; N498-M504 PolarHBondContact N-O 2.86Å; N498-M504 VanDerWaalsContact ND2-CE 3.27Å; N498-M504 WeakPolarHBondContact ND2-CE 3.2Å; C501-M504 HydrophobicContact CB-CB 4.16Å; C501-M504 HydrophobicContact CB-CE 4.1Å; M504-I515 HydrophobicContact CG-CG2 4.5Å; M504-Y534 HydrophobicContact CE-CE1 3.85Å; M504-Y534 HydrophobicContact CE-CE2 4.35Å; M504-Y534 WeakPolarHBondContact CE-OH 3.48Å; M504-Y534 HydrophobicContact CG-CE1 3.95Å; M504-Y534 HydrophobicContact SD-CE1 4.3Å; M504-Y534 PolarHBondContact SD-OH 2.66Å; M504-Y534 VanDerWaalsContact SD-OH 3.38Å; M504-I573 HydrophobicContact CE-CD1 4.37Å; M504-I573 HydrophobicContact SD-CD1 3.91Å; M504-L576 HydrophobicContact CE-CD1 3.31Å
505L93.7Very high90.6Very high1 Ų126.6 Ų26.61%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-136.5162.4175.466.278.4000110.7A467 L475 V477 F487 V495 A496 W497 F507 K516A467-L505 HydrophobicContact CB-CD2 4.28Å; L475-L505 HydrophobicContact CD2-CD1 3.92Å; V477-L505 HydrophobicContact CG2-CD2 3.84Å; F487-L505 HydrophobicContact CE2-CD2 4.42Å; F487-L505 HydrophobicContact CZ-CD2 3.95Å; V495-L505 HydrophobicContact CG2-CD1 4.27Å; V495-L505 HydrophobicContact CG2-CD2 4.49Å; A496-L505 WeakPolarHBondContact O-CA 3.44Å; A496-L505 WeakPolarHBondContact O-CB 3.48Å; W497-L505 HydrophobicContact CD2-CB 3.98Å; W497-L505 HydrophobicContact CD2-CD2 4.32Å; W497-L505 HydrophobicContact CE3-CB 3.86Å; W497-L505 HydrophobicContact CE3-CD2 4.38Å; W497-L505 HydrophobicContact CG-CB 4.42Å; W497-L505 HydrophobicContact CH2-CD2 3.77Å; W497-L505 HydrophobicContact CZ2-CD2 3.7Å; W497-L505 HydrophobicContact CZ3-CB 4.22Å; W497-L505 HydrophobicContact CZ3-CD2 4.11Å; L505-F507 HydrophobicContact CD1-CD1 3.74Å; L505-F507 HydrophobicContact CD1-CE1 4.41Å; L505-K516 HydrophobicContact CD1-CB 4.27Å; L505-K516 PolarHBondContact N-O 3.41Å; L505-K516 PolarHBondContact O-N 2.61Å
506C93Very high90.4Very high0 Ų026.6 Ų26.60%014%0.144CC..EExtended strand (participates in β ladder)trans-125.7152.6167.870.80000110.7V495 A496 L513 N514 I515 Y534 I539V495-C506 WeakPolarHBondContact CA-O 3.35Å; A496-C506 PolarHBondContact N-O 2.94Å; A496-C506 PolarHBondContact O-N 3.22Å; C506-L513 HydrophobicContact CB-CD1 4.28Å; C506-N514 CarbonylContact C-O 3.6Å; C506-N514 WeakPolarHBondContact CA-O 3.21Å; C506-N514 WeakPolarHBondContact CB-O 3.08Å; C506-I515 HydrophobicContact CB-CG1 4.22Å; C506-Y534 HydrophobicContact CB-CD1 3.87Å; C506-Y534 HydrophobicContact CB-CE1 4.13Å; C506-I539 HydrophobicContact CB-CD1 3.73Å
507F93.9Very high90.2Very high2 Ų226.6 Ų26.61%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-143.5149.5173.962.4-83.9000110L475 E489 A492 S494 V495 L505 N514 K516 V522L475-F507 HydrophobicContact CD2-CB 4.09Å; L475-F507 HydrophobicContact CD2-CD1 3.53Å; L475-F507 HydrophobicContact CD2-CD2 4.44Å; L475-F507 HydrophobicContact CD2-CE1 3.97Å; L475-F507 HydrophobicContact CD2-CG 3.79Å; E489-F507 HydrophobicContact CB-CE1 4.24Å; E489-F507 HydrophobicContact CB-CE2 4.05Å; E489-F507 HydrophobicContact CB-CZ 3.63Å; E489-F507 HydrophobicContact CG-CE1 4.1Å; E489-F507 HydrophobicContact CG-CZ 3.81Å; A492-F507 HydrophobicContact CB-CB 4.35Å; A492-F507 HydrophobicContact CB-CD2 3.68Å; A492-F507 HydrophobicContact CB-CE2 4.35Å; A492-F507 HydrophobicContact CB-CG 4.33Å; S494-F507 CarbonylContact O-C 3.56Å; S494-F507 WeakPolarHBondContact O-CA 3.27Å; S494-F507 WeakPolarHBondContact O-CB 3.16Å; V495-F507 HydrophobicContact CB-CB 4.34Å; V495-F507 HydrophobicContact CG2-CB 4.4Å; L505-F507 HydrophobicContact CD1-CD1 3.74Å; L505-F507 HydrophobicContact CD1-CE1 4.41Å; F507-N514 HydrophobicContact CD1-CB 3.76Å; F507-N514 HydrophobicContact CD2-CB 3.69Å; F507-N514 HydrophobicContact CE1-CB 3.49Å; F507-N514 VanDerWaalsContact CE1-CB 3.49Å; F507-N514 HydrophobicContact CE2-CB 3.42Å; F507-N514 VanDerWaalsContact CE2-CB 3.42Å; F507-N514 VanDerWaalsContact CE2-CG 3.49Å; F507-N514 HydrophobicContact CG-CB 3.87Å; F507-N514 HydrophobicContact CZ-CB 3.32Å; F507-N514 PolarHBondContact N-O 2.79Å; F507-N514 WeakPolarHBondContact O-CA 3.44Å; F507-N514 VanDerWaalsContact O-CB 3.31Å; F507-N514 WeakPolarHBondContact O-CB 3.2Å; F507-N514 PolarHBondContact O-N 3.01Å; F507-K516 HydrophobicContact CE1-CB 4.47Å; F507-V522 HydrophobicContact CE1-CG1 4.25Å; F507-V522 HydrophobicContact CE1-CG2 4.26Å; F507-V522 HydrophobicContact CZ-CG1 4.08Å; F507-V522 HydrophobicContact CZ-CG2 4.15Å
508S93.6Very high89.9Confident2 Ų228 Ų281%0.01416%0.155CC..EExtended strand (participates in β ladder)trans-118150.7173.566.70000112.7N493 S494 Y512 G529 M531N493-S508 WeakPolarHBondContact CB-O 3.1Å; N493-S508 PolarHBondContact N-O 2.89Å; S494-S508 PolarHBondContact N-O 2.93Å; S494-S508 PolarHBondContact O-N 3.47Å; S494-S508 VanDerWaalsContact O-N 3.13Å; S494-S508 PolarHBondContact OG-OG 2.95Å; S508-Y512 VanDerWaalsContact CA-O 3.24Å; S508-Y512 WeakPolarHBondContact CA-O 3.39Å; S508-Y512 WeakPolarHBondContact CB-O 3.31Å; S508-G529 PolarHBondContact OG-O 3.46Å; S508-M531 PolarHBondContact OG-N 3.41Å
509G89.1Confident89.5Confident5 Ų533 Ų335%0.05218%0.182CC..EExtended strand (participates in β ladder)trans176.5158.3169.300000112.1N491 G511 Y512N491-G509 WeakPolarHBondContact O-CA 3.41Å; G509-G511 PolarHBondContact O-N 3.03Å; G509-G511 VanDerWaalsContact O-N 3.1Å; G509-Y512 PolarHBondContact N-O 3.41Å; G509-Y512 PolarHBondContact O-N 3Å
510N85.6Confident89.6Confident102 Ų10230.5 Ų30.555%0.54517%0.166SC..THydrogen-bonded Turntrans50.828.8-172.3-66.1-9.6000115.3N491 Y512N491-N510 WeakPolarHBondContact CB-ND2 3.39Å; N491-N510 PolarHBondContact OD1-ND2 2.83Å; N510-Y512 VanDerWaalsContact O-CD2 3.28Å; N510-Y512 WeakPolarHBondContact O-CD2 3.44Å
511G85.4Confident89.6Confident42 Ų4229.2 Ų29.243%0.43317%0.168SC..THydrogen-bonded Turntrans78.717.5-178.500000114.5G509 M527G509-G511 PolarHBondContact O-N 3.03Å; G509-G511 VanDerWaalsContact O-N 3.1Å; G511-M527 CarbonylContact C-O 3.56Å; G511-M527 WeakPolarHBondContact CA-O 3.29Å; G511-M527 CarbonylContact O-C 3.59Å; G511-M527 PolarHBondContact O-N 3.16Å
512Y89.8Confident89.7Confident86 Ų8630.6 Ų30.634%0.33718%0.176SC..EExtended strand (participates in β ladder)trans-120.5142.9174.6-67.5-94.6000111S508 G509 N510 Q524 Q525 K526S508-Y512 VanDerWaalsContact CA-O 3.24Å; S508-Y512 WeakPolarHBondContact CA-O 3.39Å; S508-Y512 WeakPolarHBondContact CB-O 3.31Å; G509-Y512 PolarHBondContact N-O 3.41Å; G509-Y512 PolarHBondContact O-N 3Å; N510-Y512 VanDerWaalsContact O-CD2 3.28Å; N510-Y512 WeakPolarHBondContact O-CD2 3.44Å; Y512-Q524 HydrophobicContact CD1-CB 4.44Å; Y512-Q525 CarbonylContact C-O 3.58Å; Y512-Q525 WeakPolarHBondContact CA-O 3.28Å; Y512-K526 HydrophobicContact CD1-CG 3.93Å; Y512-K526 HydrophobicContact CE1-CD 4.4Å; Y512-K526 HydrophobicContact CE1-CG 3.45Å; Y512-K526 VanDerWaalsContact CE1-CG 3.45Å; Y512-K526 WeakPolarHBondContact OH-CE 3.46Å
513L90.6Very high89.7Confident0 Ų032.3 Ų32.30%018%0.184CC..EExtended strand (participates in β ladder)trans-90.5127.2161.417562.3000108.2C506 I515 Q524 Q525 M527 M531 I539 V552C506-L513 HydrophobicContact CB-CD1 4.28Å; L513-I515 HydrophobicContact CD2-CD1 4.45Å; L513-I515 HydrophobicContact CG-CG1 4.34Å; L513-Q524 WeakPolarHBondContact O-CA 3.49Å; L513-Q525 HydrophobicContact CB-CB 4.45Å; L513-Q525 PolarHBondContact N-O 3.48Å; L513-Q525 PolarHBondContact O-N 2.99Å; L513-M527 HydrophobicContact CB-CB 3.9Å; L513-M527 HydrophobicContact CB-CE 3.88Å; L513-M527 HydrophobicContact CD1-CE 3.95Å; L513-M527 HydrophobicContact CD2-CE 4.47Å; L513-M527 HydrophobicContact CG-CE 4.33Å; L513-M531 HydrophobicContact CD1-CG 3.66Å; L513-M531 HydrophobicContact CD1-SD 3.53Å; L513-M531 VanDerWaalsContact CD1-SD 3.53Å; L513-I539 HydrophobicContact CD1-CD1 4.15Å; L513-I539 HydrophobicContact CD1-CG2 3.8Å; L513-I539 HydrophobicContact CD2-CD1 4.12Å; L513-I539 HydrophobicContact CD2-CG2 3.78Å; L513-I539 HydrophobicContact CG-CG2 4.44Å; L513-V552 HydrophobicContact CD2-CG2 4.35Å
514N91.3Very high89.8Confident8 Ų835.7 Ų35.74%0.04320%0.198CC..EExtended strand (participates in β ladder)trans-118.1132.2-179-63.6-86.3000109C506 F507 V522 H523 Q524C506-N514 CarbonylContact C-O 3.6Å; C506-N514 WeakPolarHBondContact CA-O 3.21Å; C506-N514 WeakPolarHBondContact CB-O 3.08Å; F507-N514 HydrophobicContact CD1-CB 3.76Å; F507-N514 HydrophobicContact CD2-CB 3.69Å; F507-N514 HydrophobicContact CE1-CB 3.49Å; F507-N514 VanDerWaalsContact CE1-CB 3.49Å; F507-N514 HydrophobicContact CE2-CB 3.42Å; F507-N514 VanDerWaalsContact CE2-CB 3.42Å; F507-N514 VanDerWaalsContact CE2-CG 3.49Å; F507-N514 HydrophobicContact CG-CB 3.87Å; F507-N514 HydrophobicContact CZ-CB 3.32Å; F507-N514 PolarHBondContact N-O 2.79Å; F507-N514 WeakPolarHBondContact O-CA 3.44Å; F507-N514 VanDerWaalsContact O-CB 3.31Å; F507-N514 WeakPolarHBondContact O-CB 3.2Å; F507-N514 PolarHBondContact O-N 3.01Å; N514-V522 HydrophobicContact CB-CG1 3.54Å; N514-H523 CarbonylContact C-O 3.56Å; N514-H523 WeakPolarHBondContact CA-O 3.41Å; N514-Q524 VanDerWaalsContact OD1-CG 3.3Å; N514-Q524 WeakPolarHBondContact OD1-CG 2.93Å; N514-Q524 PolarHBondContact OD1-NE2 3.48Å
515I91.5Very high89.5Confident7 Ų739 Ų394%0.03621%0.214CC..EExtended strand (participates in β ladder)trans-124.4127.2-179.2-55.8174.3000107.5M504 C506 L513 H523 Y534 I539 V552M504-I515 HydrophobicContact CG-CG2 4.5Å; C506-I515 HydrophobicContact CB-CG1 4.22Å; L513-I515 HydrophobicContact CD2-CD1 4.45Å; L513-I515 HydrophobicContact CG-CG1 4.34Å; I515-H523 PolarHBondContact N-O 3.09Å; I515-H523 PolarHBondContact O-N 3.37Å; I515-Y534 HydrophobicContact CG2-CE1 4.48Å; I515-I539 HydrophobicContact CD1-CD1 3.61Å; I515-I539 HydrophobicContact CG1-CD1 3.91Å; I515-V552 HydrophobicContact CD1-CB 3.9Å; I515-V552 HydrophobicContact CD1-CG1 3.1Å; I515-V552 HydrophobicContact CD1-CG2 3.75Å
516K91.4Very high89.2Confident8 Ų846.8 Ų46.84%0.03525%0.248CC..EExtended strand (participates in β ladder)trans-131.1123.4-176.4-164.6-179.4175.483.80109.3F487 E489 L505 F507 S518 F520 V522F487-K516 HydrophobicContact CD2-CD 3.85Å; F487-K516 VanDerWaalsContact CD2-CE 3.43Å; F487-K516 HydrophobicContact CE1-CD 4.44Å; F487-K516 HydrophobicContact CE2-CD 3.44Å; F487-K516 VanDerWaalsContact CE2-CD 3.44Å; F487-K516 HydrophobicContact CZ-CD 3.76Å; E489-K516 HydrophobicContact CG-CD 4.16Å; E489-K516 WeakPolarHBondContact OE1-CE 3.41Å; E489-K516 IonicContact OE1-NZ 2.74Å; E489-K516 PolarHBondContact OE1-NZ 3.2Å; L505-K516 HydrophobicContact CD1-CB 4.27Å; L505-K516 PolarHBondContact N-O 3.41Å; L505-K516 PolarHBondContact O-N 2.61Å; F507-K516 HydrophobicContact CE1-CB 4.47Å; K516-S518 WeakPolarHBondContact CE-O 3.4Å; K516-F520 PolarHBondContact NZ-O 2.98Å; K516-V522 HydrophobicContact CB-CG2 4.21Å; K516-V522 HydrophobicContact CD-CG2 3.93Å; K516-V522 HydrophobicContact CG-CG2 4.04Å
517A89.9Confident88.8Confident2 Ų248 Ų482%0.01725%0.254CS..EExtended strand (participates in β ladder)trans-98.7125.1167.400000108.5D503 N519 F520 P557 Y561D503-A517 CarbonylContact O-C 3.32Å; D503-A517 WeakPolarHBondContact O-CA 3.48Å; A517-N519 PolarHBondContact O-N 3.3Å; A517-F520 HydrophobicContact CB-CD2 4.28Å; A517-F520 VanDerWaalsContact O-CB 3.3Å; A517-F520 WeakPolarHBondContact O-CB 3.39Å; A517-F520 WeakPolarHBondContact O-CD2 3.45Å; A517-F520 PolarHBondContact O-N 3.16Å; A517-P557 HydrophobicContact CB-CB 3.9Å; A517-Y561 HydrophobicContact CB-CE2 3.84Å
518S86.8Confident88.1Confident40 Ų4054.8 Ų54.828%0.2829%0.285SS..THydrogen-bonded Turntrans46.4-133.1176.4-169.70000112.2F487 D503 K516 F520 Y561F487-S518 VanDerWaalsContact CE1-O 3.28Å; F487-S518 WeakPolarHBondContact CE1-O 3.44Å; D503-S518 PolarHBondContact O-N 3.22Å; K516-S518 WeakPolarHBondContact CE-O 3.4Å; S518-F520 VanDerWaalsContact C-N 3.35Å; S518-Y561 WeakPolarHBondContact CB-OH 3.29Å
519N85Confident87.6Confident107 Ų10755.7 Ų55.757%0.57230%0.295SS*.THydrogen-bonded Turntrans-96.227.7175.7-162.218.2000113.2A517A517-N519 PolarHBondContact O-N 3.3Å
520F89Confident87.5Confident13 Ų1361.1 Ų61.16%0.05732%0.317CS..SBendtrans-86.4164.3177.9-62.8-70.1000112.4K516 A517 S518 Q560 Y561 K564K516-F520 PolarHBondContact NZ-O 2.98Å; A517-F520 HydrophobicContact CB-CD2 4.28Å; A517-F520 VanDerWaalsContact O-CB 3.3Å; A517-F520 WeakPolarHBondContact O-CB 3.39Å; A517-F520 WeakPolarHBondContact O-CD2 3.45Å; A517-F520 PolarHBondContact O-N 3.16Å; S518-F520 VanDerWaalsContact C-N 3.35Å; F520-Q560 HydrophobicContact CB-CB 4.29Å; F520-Q560 HydrophobicContact CB-CG 4.36Å; F520-Q560 HydrophobicContact CD1-CB 3.82Å; F520-Q560 HydrophobicContact CD1-CG 4.45Å; F520-Q560 HydrophobicContact CD2-CB 4.1Å; F520-Q560 HydrophobicContact CE1-CB 4.02Å; F520-Q560 WeakPolarHBondContact CE1-O 3.39Å; F520-Q560 HydrophobicContact CE2-CB 4.36Å; F520-Q560 HydrophobicContact CG-CB 3.85Å; F520-Q560 HydrophobicContact CG-CG 4.42Å; F520-Q560 HydrophobicContact CZ-CB 4.32Å; F520-Q560 VanDerWaalsContact CZ-O 3.3Å; F520-Q560 WeakPolarHBondContact CZ-O 2.97Å; F520-Y561 HydrophobicContact CD2-CE2 4.47Å; F520-Y561 AromaticContact CE2-CD1 3.69Å; F520-Y561 HydrophobicContact CE2-CD1 3.69Å; F520-Y561 HydrophobicContact CE2-CD2 4.16Å; F520-Y561 AromaticContact CE2-CE1 3.58Å; F520-Y561 HydrophobicContact CE2-CE1 3.58Å; F520-Y561 HydrophobicContact CE2-CE2 4.05Å; F520-Y561 AromaticContact CE2-CG 3.98Å; F520-Y561 HydrophobicContact CE2-CG 3.98Å; F520-Y561 AromaticContact CE2-CZ 3.75Å; F520-Y561 HydrophobicContact CZ-CD1 4.05Å; F520-Y561 HydrophobicContact CZ-CE1 4.3Å; F520-Y561 HydrophobicContact CZ-CG 4.36Å; F520-K564 HydrophobicContact CE1-CD 3.48Å; F520-K564 VanDerWaalsContact CE1-CD 3.48Å; F520-K564 HydrophobicContact CE1-CG 4.05Å; F520-K564 HydrophobicContact CZ-CD 3.74Å; F520-K564 HydrophobicContact CZ-CG 4.35Å
521P88Confident87.6Confident94 Ų9456.6 Ų56.661%0.6129%0.293SS*.PPolyproline II helixtrans-56.9143.2172.4-24.635000112.1Q560P521-Q560 PolarHBondContact O-NE2 2.8Å
522V89.1Confident87.7Confident35 Ų3556.7 Ų56.721%0.21229%0.285CS..PPolyproline II helixtrans-72.6133.9-178.8177.40000110.6E489 F507 N514 K516 Q524E489-V522 HydrophobicContact CG-CG2 4.19Å; E489-V522 WeakPolarHBondContact OE1-CG2 3.4Å; F507-V522 HydrophobicContact CE1-CG1 4.25Å; F507-V522 HydrophobicContact CE1-CG2 4.26Å; F507-V522 HydrophobicContact CZ-CG1 4.08Å; F507-V522 HydrophobicContact CZ-CG2 4.15Å; N514-V522 HydrophobicContact CB-CG1 3.54Å; K516-V522 HydrophobicContact CB-CG2 4.21Å; K516-V522 HydrophobicContact CD-CG2 3.93Å; K516-V522 HydrophobicContact CG-CG2 4.04Å; V522-Q524 HydrophobicContact CG1-CG 4.16Å
523H87.8Confident87.7Confident79 Ų7953 Ų5337%0.36627%0.274SS..EExtended strand (participates in β ladder)trans-90.9130.3168.1-173.874.1000110.1N514 I515N514-H523 CarbonylContact C-O 3.56Å; N514-H523 WeakPolarHBondContact CA-O 3.41Å; I515-H523 PolarHBondContact N-O 3.09Å; I515-H523 PolarHBondContact O-N 3.37Å
524Q88.9Confident87.7Confident116 Ų11653.2 Ų53.254%0.54228%0.275SS..EExtended strand (participates in β ladder)trans-116.5137-173.7-58.1-165.7-25.600112.3Y512 L513 N514 V522Y512-Q524 HydrophobicContact CD1-CB 4.44Å; L513-Q524 WeakPolarHBondContact O-CA 3.49Å; N514-Q524 VanDerWaalsContact OD1-CG 3.3Å; N514-Q524 WeakPolarHBondContact OD1-CG 2.93Å; N514-Q524 PolarHBondContact OD1-NE2 3.48Å; V522-Q524 HydrophobicContact CG1-CG 4.16Å
525Q86.5Confident87.5Confident71 Ų7153.8 Ų53.833%0.33228%0.278SS..EExtended strand (participates in β ladder)trans-133.8136.5174.5-172.4177.77.800109.4Y512 L513 M527Y512-Q525 CarbonylContact C-O 3.58Å; Y512-Q525 WeakPolarHBondContact CA-O 3.28Å; L513-Q525 HydrophobicContact CB-CB 4.45Å; L513-Q525 PolarHBondContact N-O 3.48Å; L513-Q525 PolarHBondContact O-N 2.99Å; Q525-M527 PolarHBondContact O-N 3.08Å
526K87.5Confident87.3Confident163 Ų16353.7 Ų53.771%0.70928%0.279SS*.EExtended strand (participates in β ladder)trans-67.7128.2175.9-75.8-177.7178.8177.70109.9Y512Y512-K526 HydrophobicContact CD1-CG 3.93Å; Y512-K526 HydrophobicContact CE1-CD 4.4Å; Y512-K526 HydrophobicContact CE1-CG 3.45Å; Y512-K526 VanDerWaalsContact CE1-CG 3.45Å; Y512-K526 WeakPolarHBondContact OH-CE 3.46Å
527M84.7Confident87.1Confident26 Ų2654.3 Ų54.313%0.12828%0.284CS..  trans-156.7138.4-178.8-176.9-92.6-79.300111.1G511 L513 Q525 M531 C541G511-M527 CarbonylContact C-O 3.56Å; G511-M527 WeakPolarHBondContact CA-O 3.29Å; G511-M527 CarbonylContact O-C 3.59Å; G511-M527 PolarHBondContact O-N 3.16Å; L513-M527 HydrophobicContact CB-CB 3.9Å; L513-M527 HydrophobicContact CB-CE 3.88Å; L513-M527 HydrophobicContact CD1-CE 3.95Å; L513-M527 HydrophobicContact CD2-CE 4.47Å; L513-M527 HydrophobicContact CG-CE 4.33Å; Q525-M527 PolarHBondContact O-N 3.08Å; M527-M531 HydrophobicContact CE-CG 4.03Å; M527-M531 HydrophobicContact CE-SD 3.44Å; M527-M531 WeakPolarHBondContact CE-SD 3.14Å; M527-C541 HydrophobicContact CE-CB 4.09Å; M527-C541 WeakPolarHBondContact CE-SG 3.45Å; M527-C541 HydrophobicContact SD-CB 4.05Å
528Q79.7Confident87.1Confident144 Ų14456.7 Ų56.767%0.67329%0.294SS*.  trans-97.1125.9174.1-64.4-173.7-7.500110.4
529G82.6Confident87.3Confident21 Ų2154.8 Ų54.822%0.21628%0.28CS..SBendtrans128.7178.717600000114S508 L542S508-G529 PolarHBondContact OG-O 3.46Å; G529-L542 WeakPolarHBondContact CA-O 3.47Å
530F86.6Confident87.5Confident119 Ų11949.8 Ų49.852%0.52225%0.253SS..EExtended strand (participates in β ladder)trans-103.8138.4175.9-61.3-86.3000110N493 L542N493-F530 HydrophobicContact CB-CD1 3.97Å; N493-F530 HydrophobicContact CB-CE1 3.77Å; F530-L542 PolarHBondContact N-O 3.36Å; F530-L542 PolarHBondContact O-N 3.19Å
531M88.5Confident87.5Confident7 Ų749.1 Ų49.13%0.03425%0.251CS..EExtended strand (participates in β ladder)trans-71.3130171.3-73.8-51.1-44.900111.4S494 S508 L513 M527 G533 I539 F540 C541S494-M531 WeakPolarHBondContact CB-O 3.15Å; S494-M531 WeakPolarHBondContact OG-CB 3.47Å; S494-M531 PolarHBondContact OG-N 3.43Å; S494-M531 PolarHBondContact OG-O 2.84Å; S508-M531 PolarHBondContact OG-N 3.41Å; L513-M531 HydrophobicContact CD1-CG 3.66Å; L513-M531 HydrophobicContact CD1-SD 3.53Å; L513-M531 VanDerWaalsContact CD1-SD 3.53Å; M527-M531 HydrophobicContact CE-CG 4.03Å; M527-M531 HydrophobicContact CE-SD 3.44Å; M527-M531 WeakPolarHBondContact CE-SD 3.14Å; M531-G533 WeakPolarHBondContact CE-O 3.28Å; M531-I539 HydrophobicContact CE-CB 4.03Å; M531-I539 HydrophobicContact CE-CG2 3.05Å; M531-I539 HydrophobicContact SD-CG2 3.17Å; M531-I539 WeakPolarHBondContact SD-CG2 3.33Å; M531-F540 WeakPolarHBondContact CE-O 3.25Å; M531-C541 HydrophobicContact SD-CB 4.38Å; M531-C541 PolarHBondContact SD-SG 2.85Å
532V86.7Confident87.5Confident44 Ų4445.5 Ų45.527%0.26723%0.226SC..EExtended strand (participates in β ladder)trans-115.2-26.7178.8-162.60000111.9L298 F540 L542 M547L298-V532 HydrophobicContact CB-CG1 4.16Å; L298-V532 HydrophobicContact CD2-CB 4Å; L298-V532 HydrophobicContact CD2-CG1 3.7Å; L298-V532 WeakPolarHBondContact CD2-O 3.41Å; V532-F540 PolarHBondContact N-O 3.26Å; V532-L542 HydrophobicContact CG2-CB 3.63Å; V532-M547 HydrophobicContact CB-CE 4.48Å
533G89Confident87.2Confident10 Ų1047.1 Ų47.110%0.10323%0.231CC..EExtended strand (participates in β ladder)trans-162.9163.6177.200000114.2M531 F540M531-G533 WeakPolarHBondContact CE-O 3.28Å; G533-F540 PolarHBondContact N-O 2.98Å; G533-F540 PolarHBondContact O-N 3.07Å
534Y90.4Very high86.8Confident4 Ų447.4 Ų47.42%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-141.5116.4177.6-171.1-174.5000110N498 T499 M504 C506 I515 G536 K538 I539 Q554N498-Y534 WeakPolarHBondContact CA-O 3.17Å; N498-Y534 HydrophobicContact CB-CD1 3.7Å; N498-Y534 HydrophobicContact CB-CD2 4.48Å; N498-Y534 HydrophobicContact CB-CE1 3.92Å; N498-Y534 HydrophobicContact CB-CG 4.02Å; N498-Y534 WeakPolarHBondContact ND2-CD2 3.36Å; N498-Y534 WeakPolarHBondContact ND2-CE2 3.47Å; N498-Y534 VanDerWaalsContact ND2-CZ 3.26Å; T499-Y534 PolarHBondContact N-O 3.04Å; T499-Y534 PolarHBondContact OG1-O 3.05Å; M504-Y534 HydrophobicContact CE-CE1 3.85Å; M504-Y534 HydrophobicContact CE-CE2 4.35Å; M504-Y534 WeakPolarHBondContact CE-OH 3.48Å; M504-Y534 HydrophobicContact CG-CE1 3.95Å; M504-Y534 HydrophobicContact SD-CE1 4.3Å; M504-Y534 PolarHBondContact SD-OH 2.66Å; M504-Y534 VanDerWaalsContact SD-OH 3.38Å; C506-Y534 HydrophobicContact CB-CD1 3.87Å; C506-Y534 HydrophobicContact CB-CE1 4.13Å; I515-Y534 HydrophobicContact CG2-CE1 4.48Å; Y534-G536 VanDerWaalsContact CE2-O 3.23Å; Y534-G536 WeakPolarHBondContact CE2-O 3.32Å; Y534-K538 WeakPolarHBondContact CD2-O 3.29Å; Y534-I539 HydrophobicContact CD1-CD1 4.45Å; Y534-I539 HydrophobicContact CD1-CG1 4.49Å; Y534-I539 HydrophobicContact CD2-CD1 4.07Å; Y534-I539 HydrophobicContact CD2-CG1 3.36Å; Y534-I539 HydrophobicContact CE1-CD1 4.23Å; Y534-I539 HydrophobicContact CE2-CD1 3.85Å; Y534-I539 HydrophobicContact CE2-CG1 3.44Å; Y534-I539 VanDerWaalsContact CE2-CG1 3.44Å; Y534-I539 HydrophobicContact CG-CD1 4.36Å; Y534-I539 HydrophobicContact CG-CG1 3.92Å; Y534-Q554 PolarHBondContact OH-NE2 3.25Å
535N88.8Confident86.1Confident20 Ų2049.5 Ų49.511%0.10724%0.242CC..EExtended strand (participates in β ladder)trans-136.8117.6-179.7-176.314.8000110.7T499 Q500 S537 K538 F540T499-N535 WeakPolarHBondContact OG1-CA 3.47Å; T499-N535 WeakPolarHBondContact OG1-CB 3.39Å; T499-N535 PolarHBondContact OG1-OD1 2.93Å; Q500-N535 PolarHBondContact NE2-OD1 2.75Å; N535-S537 PolarHBondContact O-N 3.46Å; N535-K538 PolarHBondContact N-O 2.93Å; N535-K538 PolarHBondContact O-N 3.36Å; N535-F540 HydrophobicContact CB-CE2 3.92Å; N535-F540 HydrophobicContact CB-CZ 4.39Å
536G86.6Confident85.7Confident5 Ų549.3 Ų49.35%0.05225%0.249CC..THydrogen-bonded Turntrans65.1-128.8-179.700000111.6N498 Y534N498-G536 PolarHBondContact ND2-O 2.81Å; Y534-G536 VanDerWaalsContact CE2-O 3.23Å; Y534-G536 WeakPolarHBondContact CE2-O 3.32Å
537S87.8Confident85.6Confident20 Ų2043 Ų4314%0.1422%0.222CC..THydrogen-bonded Turntrans-82.7-9.2171.557.60000114.2N535 V552 L576N535-S537 PolarHBondContact O-N 3.46Å; S537-V552 PolarHBondContact O-N 2.89Å; S537-L576 WeakPolarHBondContact CB-O 3.46Å
538K89.5Confident85.7Confident53 Ų5344.2 Ų44.223%0.2323%0.233CC..EExtended strand (participates in β ladder)trans-101.6133.5-171.5-67.8-173.2178.4-172.90112.6Y534 N535 F540 A549 V550Y534-K538 WeakPolarHBondContact CD2-O 3.29Å; N535-K538 PolarHBondContact N-O 2.93Å; N535-K538 PolarHBondContact O-N 3.36Å; K538-F540 HydrophobicContact CB-CE1 4.27Å; K538-A549 HydrophobicContact CD-CB 4.38Å; K538-V550 WeakPolarHBondContact CA-O 3.44Å
539I90.2Very high86.1Confident0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-115.7120.3-177.6-79.8-165.6000107.9C506 L513 I515 M531 Y534 V550 V552C506-I539 HydrophobicContact CB-CD1 3.73Å; L513-I539 HydrophobicContact CD1-CD1 4.15Å; L513-I539 HydrophobicContact CD1-CG2 3.8Å; L513-I539 HydrophobicContact CD2-CD1 4.12Å; L513-I539 HydrophobicContact CD2-CG2 3.78Å; L513-I539 HydrophobicContact CG-CG2 4.44Å; I515-I539 HydrophobicContact CD1-CD1 3.61Å; I515-I539 HydrophobicContact CG1-CD1 3.91Å; M531-I539 HydrophobicContact CE-CB 4.03Å; M531-I539 HydrophobicContact CE-CG2 3.05Å; M531-I539 HydrophobicContact SD-CG2 3.17Å; M531-I539 WeakPolarHBondContact SD-CG2 3.33Å; Y534-I539 HydrophobicContact CD1-CD1 4.45Å; Y534-I539 HydrophobicContact CD1-CG1 4.49Å; Y534-I539 HydrophobicContact CD2-CD1 4.07Å; Y534-I539 HydrophobicContact CD2-CG1 3.36Å; Y534-I539 HydrophobicContact CE1-CD1 4.23Å; Y534-I539 HydrophobicContact CE2-CD1 3.85Å; Y534-I539 HydrophobicContact CE2-CG1 3.44Å; Y534-I539 VanDerWaalsContact CE2-CG1 3.44Å; Y534-I539 HydrophobicContact CG-CD1 4.36Å; Y534-I539 HydrophobicContact CG-CG1 3.92Å; I539-V550 HydrophobicContact CB-CB 4.47Å; I539-V550 PolarHBondContact N-O 2.96Å; I539-V550 PolarHBondContact O-N 3.1Å; I539-V552 HydrophobicContact CB-CG2 4.21Å; I539-V552 HydrophobicContact CD1-CG2 3.7Å; I539-V552 HydrophobicContact CG1-CG2 4Å
540F90.5Very high86.3Confident1 Ų139.8 Ų39.80%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-94.2112.2-173.7-60.6-47.8000112L298 K300 D301 L317 M531 V532 G533 N535 K538 M547 A549L298-F540 HydrophobicContact CD2-CD2 4.49Å; K300-F540 WeakPolarHBondContact O-CE2 3.4Å; D301-F540 HydrophobicContact CB-CZ 4.23Å; L317-F540 HydrophobicContact CB-CD1 3.95Å; L317-F540 HydrophobicContact CB-CE1 3.41Å; L317-F540 VanDerWaalsContact CB-CE1 3.41Å; L317-F540 HydrophobicContact CB-CZ 3.97Å; L317-F540 HydrophobicContact CD1-CB 4.24Å; L317-F540 HydrophobicContact CD1-CD1 3.39Å; L317-F540 HydrophobicContact CD1-CD2 4.16Å; L317-F540 HydrophobicContact CD1-CE1 3.66Å; L317-F540 HydrophobicContact CD1-CE2 4.38Å; L317-F540 HydrophobicContact CD1-CG 3.67Å; L317-F540 HydrophobicContact CD1-CZ 4.15Å; L317-F540 HydrophobicContact CG-CD1 4.3Å; L317-F540 HydrophobicContact CG-CE1 4.21Å; M531-F540 WeakPolarHBondContact CE-O 3.25Å; V532-F540 PolarHBondContact N-O 3.26Å; G533-F540 PolarHBondContact N-O 2.98Å; G533-F540 PolarHBondContact O-N 3.07Å; N535-F540 HydrophobicContact CB-CE2 3.92Å; N535-F540 HydrophobicContact CB-CZ 4.39Å; K538-F540 HydrophobicContact CB-CE1 4.27Å; F540-M547 HydrophobicContact CB-CE 3.59Å; F540-M547 HydrophobicContact CG-CE 4.35Å; F540-A549 HydrophobicContact CD1-CB 3.97Å; F540-A549 HydrophobicContact CE1-CB 4Å
541C88.4Confident86.3Confident0 Ų040.4 Ų40.40%022%0.221CC..EExtended strand (participates in β ladder)trans-112.8130.2-171.2-52.50000110.7M527 M531 M547 S548 V550M527-C541 HydrophobicContact CE-CB 4.09Å; M527-C541 WeakPolarHBondContact CE-SG 3.45Å; M527-C541 HydrophobicContact SD-CB 4.05Å; M531-C541 HydrophobicContact SD-CB 4.38Å; M531-C541 PolarHBondContact SD-SG 2.85Å; C541-M547 WeakPolarHBondContact O-CA 3.42Å; C541-M547 VanDerWaalsContact O-SD 3.4Å; C541-S548 PolarHBondContact N-O 3.31Å; C541-S548 PolarHBondContact O-N 2.87Å; C541-V550 VanDerWaalsContact SG-CG2 3.59Å
542L86.8Confident86.1Confident18 Ų1840.1 Ų40.19%0.09422%0.22CC..EExtended strand (participates in β ladder)trans-105.8116.9171.8-177.669.5000109.9H296 G529 F530 V532 M547H296-L542 WeakPolarHBondContact CE1-CD2 3.49Å; H296-L542 WeakPolarHBondContact ND1-CD2 3.42Å; G529-L542 WeakPolarHBondContact CA-O 3.47Å; F530-L542 PolarHBondContact N-O 3.36Å; F530-L542 PolarHBondContact O-N 3.19Å; V532-L542 HydrophobicContact CG2-CB 3.63Å; L542-M547 HydrophobicContact CB-SD 4.2Å; L542-M547 HydrophobicContact CD1-SD 4.46Å
543H84.2Confident85.9Confident68 Ų6841.9 Ų41.932%0.31523%0.232SC..EExtended strand (participates in β ladder)trans-116.8111.5173.7-173.9-110.1000110.3Y545 S546H543-Y545 VanDerWaalsContact C-N 3.34Å; H543-Y545 PolarHBondContact O-N 2.84Å; H543-S546 PolarHBondContact N-O 2.85Å; H543-S546 PolarHBondContact O-N 2.88Å; H543-S546 PolarHBondContact O-OG 2.59Å
544V79.2Confident85.8Confident86 Ų8641.4 Ų41.452%0.52123%0.227SC..THydrogen-bonded Turntrans57.3-85.3-177.1-165.50000112.7T294T294-V544 WeakPolarHBondContact CG2-O 3.15Å
545Y73.7Confident85.8Confident159 Ų15942.4 Ų42.462%0.62423%0.234SC*.THydrogen-bonded Turntrans-125.6-8.6179.2-54.5-66.2000113.3T294 H543T294-Y545 HydrophobicContact CG2-CD1 3.41Å; T294-Y545 VanDerWaalsContact CG2-CD1 3.41Å; T294-Y545 HydrophobicContact CG2-CE1 3.52Å; H543-Y545 VanDerWaalsContact C-N 3.34Å; H543-Y545 PolarHBondContact O-N 2.84Å
546S78.5Confident85.7Confident68 Ų6843.2 Ų43.248%0.47624%0.244SC..EExtended strand (participates in β ladder)trans-101.9128.8-175.957.40000111.1H543H543-S546 PolarHBondContact N-O 2.85Å; H543-S546 PolarHBondContact O-N 2.88Å; H543-S546 PolarHBondContact O-OG 2.59Å
547M85.9Confident85.8Confident29 Ų2943.4 Ų43.414%0.14324%0.244CC..EExtended strand (participates in β ladder)trans-92.1131.4170.8-170.463.7158.600109L298 Y303 L317 V532 F540 C541 L542L298-M547 HydrophobicContact CD1-CE 3.97Å; L298-M547 HydrophobicContact CD2-CE 4.38Å; Y303-M547 HydrophobicContact CD1-CB 3.82Å; Y303-M547 HydrophobicContact CD1-CG 3.83Å; Y303-M547 HydrophobicContact CD2-CE 3.9Å; Y303-M547 HydrophobicContact CD2-CG 4.35Å; Y303-M547 HydrophobicContact CD2-SD 4.38Å; Y303-M547 HydrophobicContact CE1-CB 3.55Å; Y303-M547 HydrophobicContact CE1-CG 3.95Å; Y303-M547 HydrophobicContact CE2-CE 4.25Å; Y303-M547 HydrophobicContact CE2-CG 4.44Å; Y303-M547 HydrophobicContact CE2-SD 4.23Å; Y303-M547 HydrophobicContact CG-CE 4.24Å; Y303-M547 HydrophobicContact CG-CG 4.05Å; L317-M547 HydrophobicContact CD1-CE 3.52Å; L317-M547 HydrophobicContact CD1-CG 4.13Å; L317-M547 HydrophobicContact CD2-CG 3.76Å; V532-M547 HydrophobicContact CB-CE 4.48Å; F540-M547 HydrophobicContact CB-CE 3.59Å; F540-M547 HydrophobicContact CG-CE 4.35Å; C541-M547 WeakPolarHBondContact O-CA 3.42Å; C541-M547 VanDerWaalsContact O-SD 3.4Å; L542-M547 HydrophobicContact CB-SD 4.2Å; L542-M547 HydrophobicContact CD1-SD 4.46Å
548S85.4Confident86Confident52 Ų5242.5 Ų42.536%0.36424%0.238SC..EExtended strand (participates in β ladder)trans-127.9143.7175.159.70000111.1C541C541-S548 PolarHBondContact N-O 3.31Å; C541-S548 PolarHBondContact O-N 2.87Å
549A88.5Confident86.1Confident42 Ų4243.8 Ų43.835%0.34724%0.242SC..EExtended strand (participates in β ladder)trans-98.6111.6169.200000108.3K538 F540K538-A549 HydrophobicContact CD-CB 4.38Å; F540-A549 HydrophobicContact CD1-CB 3.97Å; F540-A549 HydrophobicContact CE1-CB 4Å
550V87.8Confident86.1Confident31 Ų3145.5 Ų45.519%0.18825%0.25CC..EExtended strand (participates in β ladder)trans-95119.9177.1-179.70000108K538 I539 C541 V552K538-V550 WeakPolarHBondContact CA-O 3.44Å; I539-V550 HydrophobicContact CB-CB 4.47Å; I539-V550 PolarHBondContact N-O 2.96Å; I539-V550 PolarHBondContact O-N 3.1Å; C541-V550 VanDerWaalsContact SG-CG2 3.59Å; V550-V552 HydrophobicContact CG1-CG2 4.35Å
551E86.7Confident86.1Confident131 Ų13145.6 Ų45.661%0.61225%0.25SS*.EExtended strand (participates in β ladder)trans-81.8132.6172.2-172.3160.2-149.300110.1
552V83.1Confident86.3Confident2 Ų246.1 Ų46.11%0.01225%0.253CS..  trans-119.1125.6-176.9-1780000110.2L513 I515 S537 I539 V550 Q554L513-V552 HydrophobicContact CD2-CG2 4.35Å; I515-V552 HydrophobicContact CD1-CB 3.9Å; I515-V552 HydrophobicContact CD1-CG1 3.1Å; I515-V552 HydrophobicContact CD1-CG2 3.75Å; S537-V552 PolarHBondContact O-N 2.89Å; I539-V552 HydrophobicContact CB-CG2 4.21Å; I539-V552 HydrophobicContact CD1-CG2 3.7Å; I539-V552 HydrophobicContact CG1-CG2 4Å; V550-V552 HydrophobicContact CG1-CG2 4.35Å; V552-Q554 PolarHBondContact O-N 2.97Å; V552-Q554 PolarHBondContact O-NE2 2.8Å
553P82.3Confident86.4Confident80 Ų8053 Ų5352%0.51929%0.285SS..  trans-64.1130.5172.927.4-33.4000110.8
554Q87.5Confident86.7Confident1 Ų155.7 Ų55.71%0.00530%0.295CS..  trans-96.910.6-177.1-55.2-58.4-36.100113.6Y534 V552 P557 M558 I573 L576 G577 V578Y534-Q554 PolarHBondContact OH-NE2 3.25Å; V552-Q554 PolarHBondContact O-N 2.97Å; V552-Q554 PolarHBondContact O-NE2 2.8Å; Q554-P557 HydrophobicContact CB-CG 4.39Å; Q554-P557 VanDerWaalsContact O-CD 3.3Å; Q554-P557 WeakPolarHBondContact O-CD 3.47Å; Q554-P557 VanDerWaalsContact O-CG 3.3Å; Q554-P557 WeakPolarHBondContact O-CG 3.41Å; Q554-M558 WeakPolarHBondContact O-CB 3.43Å; Q554-M558 PolarHBondContact O-N 3.02Å; Q554-M558 VanDerWaalsContact O-N 3.14Å; Q554-I573 HydrophobicContact CB-CG2 3.83Å; Q554-I573 WeakPolarHBondContact O-CG2 3.43Å; Q554-L576 HydrophobicContact CG-CB 4.09Å; Q554-G577 WeakPolarHBondContact CB-O 3.49Å; Q554-G577 PolarHBondContact N-O 2.76Å; Q554-V578 HydrophobicContact CB-CG1 3.97Å
555S89.6Confident87.3Confident24 Ų2459 Ų5917%0.16830%0.303CS..Hα-helixtrans-63.6-46.8-178.1-450000111.8M558 Y559 D582S555-M558 WeakPolarHBondContact O-CB 3.35Å; S555-M558 PolarHBondContact O-N 2.75Å; S555-M558 VanDerWaalsContact O-N 3.14Å; S555-Y559 WeakPolarHBondContact O-CD2 3.46Å; S555-Y559 PolarHBondContact O-N 2.96Å; S555-D582 WeakPolarHBondContact CB-OD2 3.42Å; S555-D582 PolarHBondContact OG-OD2 2.84Å
556A87.8Confident88.1Confident38 Ų3854.7 Ų54.731%0.31429%0.289SS..Hα-helixtrans-57.5-52.4179.900000113.6M558 Y559 Q560A556-M558 VanDerWaalsContact C-N 3.29Å; A556-M558 PolarHBondContact O-N 3.48Å; A556-Y559 PolarHBondContact O-N 2.8Å; A556-Q560 WeakPolarHBondContact O-CG 3.26Å; A556-Q560 PolarHBondContact O-N 2.84Å
557P88.1Confident88.8Confident9 Ų952.3 Ų52.36%0.05827%0.27CS..Hα-helixtrans-64.9-31175.622.2-30.7000112.8A517 Q554 Q560 Y561 I573A517-P557 HydrophobicContact CB-CB 3.9Å; Q554-P557 HydrophobicContact CB-CG 4.39Å; Q554-P557 VanDerWaalsContact O-CD 3.3Å; Q554-P557 WeakPolarHBondContact O-CD 3.47Å; Q554-P557 VanDerWaalsContact O-CG 3.3Å; Q554-P557 WeakPolarHBondContact O-CG 3.41Å; P557-Q560 PolarHBondContact O-N 2.95Å; P557-Y561 WeakPolarHBondContact O-CD2 3.47Å; P557-Y561 PolarHBondContact O-N 2.78Å; P557-I573 HydrophobicContact CB-CG2 4.31Å; P557-I573 HydrophobicContact CG-CG2 4.1Å
558M91.7Very high89.1Confident0 Ų056.6 Ų56.60%029%0.288CS..Hα-helixtrans-61.8-49.1174.7-175.6-160.572.200111.7Q554 S555 A556 Q560 Y561 L562 A570 I573 A574 V578 D582 L586Q554-M558 WeakPolarHBondContact O-CB 3.43Å; Q554-M558 PolarHBondContact O-N 3.02Å; Q554-M558 VanDerWaalsContact O-N 3.14Å; S555-M558 WeakPolarHBondContact O-CB 3.35Å; S555-M558 PolarHBondContact O-N 2.75Å; S555-M558 VanDerWaalsContact O-N 3.14Å; A556-M558 VanDerWaalsContact C-N 3.29Å; A556-M558 PolarHBondContact O-N 3.48Å; M558-Q560 VanDerWaalsContact C-N 3.27Å; M558-Q560 PolarHBondContact O-N 2.86Å; M558-Y561 PolarHBondContact O-N 2.88Å; M558-Y561 VanDerWaalsContact O-N 3.09Å; M558-L562 HydrophobicContact CE-CD1 3.83Å; M558-L562 HydrophobicContact CG-CD1 4.35Å; M558-L562 PolarHBondContact O-N 3.07Å; M558-A570 HydrophobicContact CG-CB 4.22Å; M558-I573 HydrophobicContact CB-CG2 3.99Å; M558-A574 HydrophobicContact CG-CB 4.43Å; M558-A574 HydrophobicContact SD-CB 3.94Å; M558-V578 HydrophobicContact SD-CG1 4.2Å; M558-V578 HydrophobicContact SD-CG2 4.22Å; M558-D582 HydrophobicContact CE-CB 3.65Å; M558-D582 HydrophobicContact SD-CB 4.18Å; M558-L586 HydrophobicContact SD-CB 4.26Å
559Y91.8Very high89.3Confident80 Ų8057.2 Ų57.231%0.31429%0.285SS..Hα-helixtrans-60.8-36.5178.8-76.9-68.2000112.4S555 A556 Y561 L562 E563 D582 D585S555-Y559 WeakPolarHBondContact O-CD2 3.46Å; S555-Y559 PolarHBondContact O-N 2.96Å; A556-Y559 PolarHBondContact O-N 2.8Å; Y559-Y561 VanDerWaalsContact C-N 3.29Å; Y559-Y561 PolarHBondContact O-N 2.78Å; Y559-L562 HydrophobicContact CD1-CD1 4.08Å; Y559-L562 HydrophobicContact CE1-CD1 4.37Å; Y559-L562 WeakPolarHBondContact O-CB 3.09Å; Y559-L562 PolarHBondContact O-N 3.41Å; Y559-L562 VanDerWaalsContact O-N 3.13Å; Y559-E563 WeakPolarHBondContact O-CG 3.32Å; Y559-E563 PolarHBondContact O-N 2.94Å; Y559-D582 VanDerWaalsContact CE2-OD1 3.27Å; Y559-D582 WeakPolarHBondContact CE2-OD1 3.47Å; Y559-D582 PolarHBondContact OH-OD1 2.94Å; Y559-D585 HydrophobicContact CE1-CB 4.39Å; Y559-D585 PolarHBondContact OH-OD2 3.11Å; Y559-D585 VanDerWaalsContact OH-OD2 3.09Å
560Q90.8Very high89.4Confident36 Ų3655.2 Ų55.217%0.16827%0.269CS..Hα-helixtrans-59.9-37.1175.2-69.2174.4-16.700112.8F520 P521 A556 P557 M558F520-Q560 HydrophobicContact CB-CB 4.29Å; F520-Q560 HydrophobicContact CB-CG 4.36Å; F520-Q560 HydrophobicContact CD1-CB 3.82Å; F520-Q560 HydrophobicContact CD1-CG 4.45Å; F520-Q560 HydrophobicContact CD2-CB 4.1Å; F520-Q560 HydrophobicContact CE1-CB 4.02Å; F520-Q560 WeakPolarHBondContact CE1-O 3.39Å; F520-Q560 HydrophobicContact CE2-CB 4.36Å; F520-Q560 HydrophobicContact CG-CB 3.85Å; F520-Q560 HydrophobicContact CG-CG 4.42Å; F520-Q560 HydrophobicContact CZ-CB 4.32Å; F520-Q560 VanDerWaalsContact CZ-O 3.3Å; F520-Q560 WeakPolarHBondContact CZ-O 2.97Å; P521-Q560 PolarHBondContact O-NE2 2.8Å; A556-Q560 WeakPolarHBondContact O-CG 3.26Å; A556-Q560 PolarHBondContact O-N 2.84Å; P557-Q560 PolarHBondContact O-N 2.95Å; M558-Q560 VanDerWaalsContact C-N 3.27Å; M558-Q560 PolarHBondContact O-N 2.86Å
561Y91.1Very high89.6Confident4 Ų456.3 Ų56.32%0.01627%0.27CS..Hα-helixtrans-74-37.7173.5-77.3-75.9000112.3A517 S518 F520 P557 M558 Y559 K564 K565 M566 E569 I573A517-Y561 HydrophobicContact CB-CE2 3.84Å; S518-Y561 WeakPolarHBondContact CB-OH 3.29Å; F520-Y561 HydrophobicContact CD2-CE2 4.47Å; F520-Y561 AromaticContact CE2-CD1 3.69Å; F520-Y561 HydrophobicContact CE2-CD1 3.69Å; F520-Y561 HydrophobicContact CE2-CD2 4.16Å; F520-Y561 AromaticContact CE2-CE1 3.58Å; F520-Y561 HydrophobicContact CE2-CE1 3.58Å; F520-Y561 HydrophobicContact CE2-CE2 4.05Å; F520-Y561 AromaticContact CE2-CG 3.98Å; F520-Y561 HydrophobicContact CE2-CG 3.98Å; F520-Y561 AromaticContact CE2-CZ 3.75Å; F520-Y561 HydrophobicContact CZ-CD1 4.05Å; F520-Y561 HydrophobicContact CZ-CE1 4.3Å; F520-Y561 HydrophobicContact CZ-CG 4.36Å; P557-Y561 WeakPolarHBondContact O-CD2 3.47Å; P557-Y561 PolarHBondContact O-N 2.78Å; M558-Y561 PolarHBondContact O-N 2.88Å; M558-Y561 VanDerWaalsContact O-N 3.09Å; Y559-Y561 VanDerWaalsContact C-N 3.29Å; Y559-Y561 PolarHBondContact O-N 2.78Å; Y561-K564 PolarHBondContact O-N 2.9Å; Y561-K565 PolarHBondContact O-N 3.28Å; Y561-M566 HydrophobicContact CD1-CB 3.98Å; Y561-M566 HydrophobicContact CD1-CE 4.21Å; Y561-M566 HydrophobicContact CD1-SD 4.09Å; Y561-M566 HydrophobicContact CE1-CE 4.22Å; Y561-M566 HydrophobicContact CE1-SD 4.47Å; Y561-M566 PolarHBondContact O-N 3.36Å; Y561-E569 HydrophobicContact CD1-CB 3.56Å; Y561-E569 HydrophobicContact CD1-CG 4.37Å; Y561-E569 HydrophobicContact CE1-CB 3.71Å; Y561-E569 HydrophobicContact CE1-CG 4.21Å; Y561-E569 HydrophobicContact CG-CB 4.07Å; Y561-I573 HydrophobicContact CD2-CG1 3.98Å; Y561-I573 HydrophobicContact CE2-CD1 4.29Å; Y561-I573 HydrophobicContact CE2-CG1 3.84Å
562L91.6Very high89.8Confident10 Ų1055.3 Ų55.35%0.05227%0.265CS..Hα-helixtrans-61.2-45.4177.1-78.9175.7000112.5M558 Y559 K564 K565 F567 A570 L586 E589M558-L562 HydrophobicContact CE-CD1 3.83Å; M558-L562 HydrophobicContact CG-CD1 4.35Å; M558-L562 PolarHBondContact O-N 3.07Å; Y559-L562 HydrophobicContact CD1-CD1 4.08Å; Y559-L562 HydrophobicContact CE1-CD1 4.37Å; Y559-L562 WeakPolarHBondContact O-CB 3.09Å; Y559-L562 PolarHBondContact O-N 3.41Å; Y559-L562 VanDerWaalsContact O-N 3.13Å; L562-K564 PolarHBondContact O-N 3.03Å; L562-K564 VanDerWaalsContact O-N 3.11Å; L562-K565 WeakPolarHBondContact O-CA 3.42Å; L562-K565 PolarHBondContact O-N 2.69Å; L562-F567 HydrophobicContact CD2-CD1 3.92Å; L562-F567 HydrophobicContact CD2-CE1 4.24Å; L562-A570 HydrophobicContact CD2-CB 4.05Å; L562-A570 HydrophobicContact CG-CB 3.99Å; L562-L586 HydrophobicContact CD1-CB 4.29Å; L562-L586 HydrophobicContact CD2-CD1 3.51Å; L562-L586 HydrophobicContact CG-CD1 4.27Å; L562-E589 HydrophobicContact CD2-CB 4.07Å
563E90.1Very high90.1Very high164 Ų16455.2 Ų55.277%0.76627%0.265SS*.Hα-helixtrans-57.6-28.8177.5-74.1176-176.900112.7Y559Y559-E563 WeakPolarHBondContact O-CG 3.32Å; Y559-E563 PolarHBondContact O-N 2.94Å
564K89.6Confident90.4Very high123 Ų12351.4 Ų51.454%0.53524%0.24SC..THydrogen-bonded Turntrans-92.16.7175.7-68.5-165.1-179.8163.30114.2F520 Y561 L562 M566F520-K564 HydrophobicContact CE1-CD 3.48Å; F520-K564 VanDerWaalsContact CE1-CD 3.48Å; F520-K564 HydrophobicContact CE1-CG 4.05Å; F520-K564 HydrophobicContact CZ-CD 3.74Å; F520-K564 HydrophobicContact CZ-CG 4.35Å; Y561-K564 PolarHBondContact O-N 2.9Å; L562-K564 PolarHBondContact O-N 3.03Å; L562-K564 VanDerWaalsContact O-N 3.11Å; K564-M566 HydrophobicContact CB-CG 4.16Å; K564-M566 HydrophobicContact CB-SD 4.38Å; K564-M566 PolarHBondContact O-N 3.22Å
565K90.9Very high90.5Very high156 Ų15653.8 Ų53.868%0.67826%0.256SS*.THydrogen-bonded Turntrans58.430.2-176.6-54.6-173.9176.3-170.30113.8Y561 L562 F567Y561-K565 PolarHBondContact O-N 3.28Å; L562-K565 WeakPolarHBondContact O-CA 3.42Å; L562-K565 PolarHBondContact O-N 2.69Å; K565-F567 HydrophobicContact CB-CE2 4.06Å; K565-F567 HydrophobicContact CB-CZ 3.86Å; K565-F567 HydrophobicContact CG-CZ 4.22Å; K565-F567 PolarHBondContact O-N 3.33Å
566M91.9Very high90.3Very high69 Ų6953.6 Ų53.634%0.3425%0.253SS..  trans-93.771.3177.3-67.1-175.767.900110Y561 K564 K568 E569 A570Y561-M566 HydrophobicContact CD1-CB 3.98Å; Y561-M566 HydrophobicContact CD1-CE 4.21Å; Y561-M566 HydrophobicContact CD1-SD 4.09Å; Y561-M566 HydrophobicContact CE1-CE 4.22Å; Y561-M566 HydrophobicContact CE1-SD 4.47Å; Y561-M566 PolarHBondContact O-N 3.36Å; K564-M566 HydrophobicContact CB-CG 4.16Å; K564-M566 HydrophobicContact CB-SD 4.38Å; K564-M566 PolarHBondContact O-N 3.22Å; M566-K568 PolarHBondContact O-N 2.86Å; M566-E569 HydrophobicContact CB-CB 4.46Å; M566-E569 HydrophobicContact CE-CG 3.9Å; M566-E569 PolarHBondContact O-N 3.5Å; M566-A570 WeakPolarHBondContact O-CB 3.47Å; M566-A570 PolarHBondContact O-N 2.94Å
567F92.8Very high90.1Very high18 Ų1853.2 Ų53.28%0.07925%0.253CS..Hα-helixtrans-67.5-37.1-168.2-55-61.1000113.7L562 K565 E569 A570 Y571 E589 A590 D595 T598L562-F567 HydrophobicContact CD2-CD1 3.92Å; L562-F567 HydrophobicContact CD2-CE1 4.24Å; K565-F567 HydrophobicContact CB-CE2 4.06Å; K565-F567 HydrophobicContact CB-CZ 3.86Å; K565-F567 HydrophobicContact CG-CZ 4.22Å; K565-F567 PolarHBondContact O-N 3.33Å; F567-E569 PolarHBondContact O-N 2.86Å; F567-A570 PolarHBondContact O-N 3.29Å; F567-Y571 WeakPolarHBondContact O-CB 3.46Å; F567-Y571 PolarHBondContact O-N 3.36Å; F567-E589 HydrophobicContact CE1-CB 4.25Å; F567-E589 WeakPolarHBondContact CE1-O 3.33Å; F567-E589 WeakPolarHBondContact CZ-O 3.47Å; F567-A590 HydrophobicContact CB-CB 4.2Å; F567-A590 HydrophobicContact CD1-CB 3.9Å; F567-A590 HydrophobicContact CE1-CB 4.47Å; F567-A590 HydrophobicContact CG-CB 4.01Å; F567-D595 HydrophobicContact CB-CB 4.44Å; F567-D595 WeakPolarHBondContact CB-OD2 3.49Å; F567-D595 HydrophobicContact CD2-CB 3.73Å; F567-D595 HydrophobicContact CE2-CB 4.4Å; F567-D595 HydrophobicContact CG-CB 4.35Å; F567-T598 HydrophobicContact CB-CG2 4.1Å
568K91.3Very high90.2Very high119 Ų11954 Ų5452%0.51726%0.257SS..Hα-helixtrans-65.2-41.8-179.3-68.1-177.4179.6179.90111.6M566 Y571 Q572M566-K568 PolarHBondContact O-N 2.86Å; K568-Y571 PolarHBondContact O-N 2.92Å; K568-Q572 WeakPolarHBondContact O-CG 3.48Å; K568-Q572 PolarHBondContact O-N 3.46Å; K568-Q572 VanDerWaalsContact O-N 3.14Å
569E90.2Very high90Very high65 Ų6557.3 Ų57.330%0.30428%0.278SS..Hα-helixtrans-69.9-42.9176.7-64.277.3-172.900110.8Y561 M566 F567 Y571 Q572 I573Y561-E569 HydrophobicContact CD1-CB 3.56Å; Y561-E569 HydrophobicContact CD1-CG 4.37Å; Y561-E569 HydrophobicContact CE1-CB 3.71Å; Y561-E569 HydrophobicContact CE1-CG 4.21Å; Y561-E569 HydrophobicContact CG-CB 4.07Å; M566-E569 HydrophobicContact CB-CB 4.46Å; M566-E569 HydrophobicContact CE-CG 3.9Å; M566-E569 PolarHBondContact O-N 3.5Å; F567-E569 PolarHBondContact O-N 2.86Å; E569-Y571 VanDerWaalsContact C-N 3.29Å; E569-Y571 PolarHBondContact O-N 3.12Å; E569-Q572 WeakPolarHBondContact O-CB 3.14Å; E569-Q572 PolarHBondContact O-N 2.95Å; E569-Q572 VanDerWaalsContact O-N 3.13Å; E569-I573 WeakPolarHBondContact O-CG1 3.31Å; E569-I573 PolarHBondContact O-N 3.35Å
570A91.6Very high89.8Confident0 Ų059.1 Ų59.10%029%0.293CS..Hα-helixtrans-57.9-41.7173.600000111.9M558 L562 M566 F567 Q572 I573 A574 L586M558-A570 HydrophobicContact CG-CB 4.22Å; L562-A570 HydrophobicContact CD2-CB 4.05Å; L562-A570 HydrophobicContact CG-CB 3.99Å; M566-A570 WeakPolarHBondContact O-CB 3.47Å; M566-A570 PolarHBondContact O-N 2.94Å; F567-A570 PolarHBondContact O-N 3.29Å; A570-Q572 PolarHBondContact O-N 2.85Å; A570-I573 PolarHBondContact O-N 3.29Å; A570-A574 WeakPolarHBondContact O-CB 3.36Å; A570-A574 PolarHBondContact O-N 2.9Å; A570-L586 HydrophobicContact CB-CD1 3.67Å
571Y91.9Very high89.9Confident53 Ų5360.6 Ų60.621%0.20831%0.307CS..Hα-helixtrans-62.8-39.6174.9-180-90.2000113.3F567 K568 E569 A574 C575 W583 L586 T598 K601F567-Y571 WeakPolarHBondContact O-CB 3.46Å; F567-Y571 PolarHBondContact O-N 3.36Å; K568-Y571 PolarHBondContact O-N 2.92Å; E569-Y571 VanDerWaalsContact C-N 3.29Å; E569-Y571 PolarHBondContact O-N 3.12Å; Y571-A574 PolarHBondContact O-N 3.49Å; Y571-C575 WeakPolarHBondContact CE1-SG 3.38Å; Y571-C575 PolarHBondContact O-N 2.86Å; Y571-C575 PolarHBondContact O-SG 3.19Å; Y571-W583 AromaticContact CD2-CH2 3.95Å; Y571-W583 HydrophobicContact CD2-CH2 3.95Å; Y571-W583 AromaticContact CD2-CZ3 3.56Å; Y571-W583 HydrophobicContact CD2-CZ3 3.56Å; Y571-W583 AromaticContact CE2-CH2 3.77Å; Y571-W583 HydrophobicContact CE2-CH2 3.77Å; Y571-W583 AromaticContact CE2-CZ3 3.53Å; Y571-W583 HydrophobicContact CE2-CZ3 3.53Å; Y571-L586 HydrophobicContact CD2-CD2 4.29Å; Y571-T598 HydrophobicContact CD2-CG2 4.08Å; Y571-T598 HydrophobicContact CG-CG2 4.15Å; Y571-K601 HydrophobicContact CD2-CB 4.34Å; Y571-K601 HydrophobicContact CE1-CD 4.29Å; Y571-K601 HydrophobicContact CE2-CB 3.51Å
572Q89.4Confident90Very high110 Ų11060.9 Ų60.951%0.51431%0.309SS..Hα-helixtrans-63.5-42.4175.4-72.3175.111.100111.6K568 E569 A570 C575K568-Q572 WeakPolarHBondContact O-CG 3.48Å; K568-Q572 PolarHBondContact O-N 3.46Å; K568-Q572 VanDerWaalsContact O-N 3.14Å; E569-Q572 WeakPolarHBondContact O-CB 3.14Å; E569-Q572 PolarHBondContact O-N 2.95Å; E569-Q572 VanDerWaalsContact O-N 3.13Å; A570-Q572 PolarHBondContact O-N 2.85Å; Q572-C575 WeakPolarHBondContact O-CB 3.12Å; Q572-C575 PolarHBondContact O-N 3.25Å
573I89.7Confident90.1Very high1 Ų160.6 Ų60.61%0.00531%0.307CS..Hα-helixtrans-65.2-44.1175.2-62.9-63.8000110.8C501 M504 Q554 P557 M558 Y561 E569 A570 C575 L576C501-I573 VanDerWaalsContact SG-CD1 3.54Å; M504-I573 HydrophobicContact CE-CD1 4.37Å; M504-I573 HydrophobicContact SD-CD1 3.91Å; Q554-I573 HydrophobicContact CB-CG2 3.83Å; Q554-I573 WeakPolarHBondContact O-CG2 3.43Å; P557-I573 HydrophobicContact CB-CG2 4.31Å; P557-I573 HydrophobicContact CG-CG2 4.1Å; M558-I573 HydrophobicContact CB-CG2 3.99Å; Y561-I573 HydrophobicContact CD2-CG1 3.98Å; Y561-I573 HydrophobicContact CE2-CD1 4.29Å; Y561-I573 HydrophobicContact CE2-CG1 3.84Å; E569-I573 WeakPolarHBondContact O-CG1 3.31Å; E569-I573 PolarHBondContact O-N 3.35Å; A570-I573 PolarHBondContact O-N 3.29Å; I573-C575 PolarHBondContact O-N 3.41Å; I573-L576 HydrophobicContact CD1-CD1 4.26Å; I573-L576 VanDerWaalsContact O-CB 3.29Å; I573-L576 WeakPolarHBondContact O-CB 3.42Å; I573-L576 PolarHBondContact O-N 2.8Å
574A90Very high90.2Very high0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-59-36.7177.800000112.3M558 A570 Y571 L576 G577 V578 W583 L586M558-A574 HydrophobicContact CG-CB 4.43Å; M558-A574 HydrophobicContact SD-CB 3.94Å; A570-A574 WeakPolarHBondContact O-CB 3.36Å; A570-A574 PolarHBondContact O-N 2.9Å; Y571-A574 PolarHBondContact O-N 3.49Å; A574-L576 PolarHBondContact O-N 2.93Å; A574-G577 PolarHBondContact O-N 3.26Å; A574-G577 VanDerWaalsContact O-N 3.16Å; A574-V578 HydrophobicContact CB-CG1 4.47Å; A574-V578 HydrophobicContact CB-CG2 3.66Å; A574-W583 HydrophobicContact CB-CD2 4.23Å; A574-W583 HydrophobicContact CB-CE3 4.14Å; A574-W583 HydrophobicContact CB-CH2 3.43Å; A574-W583 VanDerWaalsContact CB-CH2 3.43Å; A574-W583 HydrophobicContact CB-CZ2 3.54Å; A574-W583 HydrophobicContact CB-CZ3 3.75Å; A574-W583 VanDerWaalsContact O-CZ2 3.26Å; A574-W583 WeakPolarHBondContact O-CZ2 3.42Å; A574-L586 HydrophobicContact CB-CD2 3.72Å
575C88.7Confident90.3Very high51 Ų5155.2 Ų55.235%0.34528%0.281SS..Hα-helixtrans-63.1-21.9175.5-76.70000114.2Y571 Q572 I573Y571-C575 WeakPolarHBondContact CE1-SG 3.38Å; Y571-C575 PolarHBondContact O-N 2.86Å; Y571-C575 PolarHBondContact O-SG 3.19Å; Q572-C575 WeakPolarHBondContact O-CB 3.12Å; Q572-C575 PolarHBondContact O-N 3.25Å; I573-C575 PolarHBondContact O-N 3.41Å
576L85.8Confident90.5Very high20 Ų2047.8 Ų47.811%0.10525%0.249CC..Hα-helixtrans-74.8-29.2176.6-53.8178.1000112Q500 C501 M504 S537 Q554 I573 A574Q500-L576 HydrophobicContact CB-CD2 3.92Å; C501-L576 HydrophobicContact CB-CD1 4.01Å; M504-L576 HydrophobicContact CE-CD1 3.31Å; S537-L576 WeakPolarHBondContact CB-O 3.46Å; Q554-L576 HydrophobicContact CG-CB 4.09Å; I573-L576 HydrophobicContact CD1-CD1 4.26Å; I573-L576 VanDerWaalsContact O-CB 3.29Å; I573-L576 WeakPolarHBondContact O-CB 3.42Å; I573-L576 PolarHBondContact O-N 2.8Å; A574-L576 PolarHBondContact O-N 2.93Å
577G84.1Confident90.5Very high30 Ų3044.5 Ų44.531%0.30923%0.233SC..Hα-helixtrans145.7102.7177.600000113.2Q554 A574Q554-G577 WeakPolarHBondContact CB-O 3.49Å; Q554-G577 PolarHBondContact N-O 2.76Å; A574-G577 PolarHBondContact O-N 3.26Å; A574-G577 VanDerWaalsContact O-N 3.16Å
578V88.4Confident90.5Very high25 Ų2544.9 Ų44.915%0.15224%0.237CC..  trans-138.9166.8171.9-61.40000110.1Q554 M558 A574 D582 W583Q554-V578 HydrophobicContact CB-CG1 3.97Å; M558-V578 HydrophobicContact SD-CG1 4.2Å; M558-V578 HydrophobicContact SD-CG2 4.22Å; A574-V578 HydrophobicContact CB-CG1 4.47Å; A574-V578 HydrophobicContact CB-CG2 3.66Å; V578-D582 HydrophobicContact CB-CB 3.83Å; V578-D582 HydrophobicContact CG2-CB 3.94Å; V578-W583 HydrophobicContact CG2-CD2 4.22Å; V578-W583 HydrophobicContact CG2-CG 4.1Å
579T88.7Confident90.5Very high69 Ų6943.4 Ų43.442%0.42323%0.232SC..  trans-73.9163.6-178.466.60000112.4S581 D582 W583T579-S581 PolarHBondContact O-N 2.85Å; T579-S581 PolarHBondContact OG1-OG 2.93Å; T579-D582 PolarHBondContact N-OD2 2.98Å; T579-D582 VanDerWaalsContact N-OD2 3.15Å; T579-D582 WeakPolarHBondContact O-CB 3.16Å; T579-D582 PolarHBondContact O-N 2.78Å; T579-D582 PolarHBondContact OG1-N 2.84Å; T579-D582 PolarHBondContact OG1-OD2 2.85Å; T579-W583 VanDerWaalsContact O-CD1 3.29Å; T579-W583 PolarHBondContact O-N 3.22Å
580D88.1Confident90.7Very high119 Ų11940.3 Ų40.364%0.63622%0.217SC*.Hα-helixtrans-65.3-28.3176.7-73.5-10.4000112.7R584D580-R584 PolarHBondContact O-N 3.4Å; D580-R584 VanDerWaalsContact O-N 3.15Å
581S91.2Very high90.7Very high67 Ų6740.3 Ų40.347%0.46922%0.217SC..Hα-helixtrans-67.5-45.8171.651.50000111.2T579 W583 R584 D585T579-S581 PolarHBondContact O-N 2.85Å; T579-S581 PolarHBondContact OG1-OG 2.93Å; S581-W583 VanDerWaalsContact C-N 3.26Å; S581-W583 PolarHBondContact O-N 2.81Å; S581-R584 WeakPolarHBondContact O-CA 3.41Å; S581-R584 WeakPolarHBondContact O-CB 3.29Å; S581-R584 PolarHBondContact O-N 2.89Å; S581-D585 PolarHBondContact O-N 2.94Å
582D93.1Very high90.6Very high10 Ų1039.6 Ų39.65%0.05322%0.216CC..Hα-helixtrans-59.5-38.8176.5-65.1-39.3000111.7S555 M558 Y559 V578 T579 R584 D585 L586S555-D582 WeakPolarHBondContact CB-OD2 3.42Å; S555-D582 PolarHBondContact OG-OD2 2.84Å; M558-D582 HydrophobicContact CE-CB 3.65Å; M558-D582 HydrophobicContact SD-CB 4.18Å; Y559-D582 VanDerWaalsContact CE2-OD1 3.27Å; Y559-D582 WeakPolarHBondContact CE2-OD1 3.47Å; Y559-D582 PolarHBondContact OH-OD1 2.94Å; V578-D582 HydrophobicContact CB-CB 3.83Å; V578-D582 HydrophobicContact CG2-CB 3.94Å; T579-D582 PolarHBondContact N-OD2 2.98Å; T579-D582 VanDerWaalsContact N-OD2 3.15Å; T579-D582 WeakPolarHBondContact O-CB 3.16Å; T579-D582 PolarHBondContact O-N 2.78Å; T579-D582 PolarHBondContact OG1-N 2.84Å; T579-D582 PolarHBondContact OG1-OD2 2.85Å; D582-R584 VanDerWaalsContact C-N 3.33Å; D582-R584 PolarHBondContact O-N 3.02Å; D582-D585 PolarHBondContact O-N 2.77Å; D582-L586 WeakPolarHBondContact O-CB 3.24Å; D582-L586 PolarHBondContact O-N 3.44Å
583W93.9Very high90.5Very high3 Ų336 Ų361%0.01121%0.209CC..Hα-helixtrans-61.7-40.7173.6-86.6112.8000112.3Y571 A574 V578 T579 S581 L586 A587 A602 I606Y571-W583 AromaticContact CD2-CH2 3.95Å; Y571-W583 HydrophobicContact CD2-CH2 3.95Å; Y571-W583 AromaticContact CD2-CZ3 3.56Å; Y571-W583 HydrophobicContact CD2-CZ3 3.56Å; Y571-W583 AromaticContact CE2-CH2 3.77Å; Y571-W583 HydrophobicContact CE2-CH2 3.77Å; Y571-W583 AromaticContact CE2-CZ3 3.53Å; Y571-W583 HydrophobicContact CE2-CZ3 3.53Å; A574-W583 HydrophobicContact CB-CD2 4.23Å; A574-W583 HydrophobicContact CB-CE3 4.14Å; A574-W583 HydrophobicContact CB-CH2 3.43Å; A574-W583 VanDerWaalsContact CB-CH2 3.43Å; A574-W583 HydrophobicContact CB-CZ2 3.54Å; A574-W583 HydrophobicContact CB-CZ3 3.75Å; A574-W583 VanDerWaalsContact O-CZ2 3.26Å; A574-W583 WeakPolarHBondContact O-CZ2 3.42Å; V578-W583 HydrophobicContact CG2-CD2 4.22Å; V578-W583 HydrophobicContact CG2-CG 4.1Å; T579-W583 VanDerWaalsContact O-CD1 3.29Å; T579-W583 PolarHBondContact O-N 3.22Å; S581-W583 VanDerWaalsContact C-N 3.26Å; S581-W583 PolarHBondContact O-N 2.81Å; W583-L586 HydrophobicContact CE3-CD2 3.83Å; W583-L586 HydrophobicContact CZ3-CD2 3.66Å; W583-A587 WeakPolarHBondContact O-CB 3.46Å; W583-A587 PolarHBondContact O-N 3.24Å; W583-A602 HydrophobicContact CE3-CB 3.88Å; W583-A602 HydrophobicContact CZ3-CB 4.1Å; W583-I606 VanDerWaalsContact C-CD1 3.45Å; W583-I606 HydrophobicContact CB-CD1 3.76Å; W583-I606 HydrophobicContact CB-CG1 3.75Å
584R92.3Very high90.5Very high110 Ų11038.3 Ų38.342%0.41522%0.22SC..Hα-helixtrans-66-43.9177.9-176.6173.3-86.3114-3.3110.5D580 S581 D582 A587 T588 I606 D608D580-R584 PolarHBondContact O-N 3.4Å; D580-R584 VanDerWaalsContact O-N 3.15Å; S581-R584 WeakPolarHBondContact O-CA 3.41Å; S581-R584 WeakPolarHBondContact O-CB 3.29Å; S581-R584 PolarHBondContact O-N 2.89Å; D582-R584 VanDerWaalsContact C-N 3.33Å; D582-R584 PolarHBondContact O-N 3.02Å; R584-A587 WeakPolarHBondContact O-CB 3.36Å; R584-A587 PolarHBondContact O-N 3.29Å; R584-A587 VanDerWaalsContact O-N 3.15Å; R584-T588 WeakPolarHBondContact O-CG2 3.46Å; R584-T588 PolarHBondContact O-N 2.86Å; R584-T588 PolarHBondContact O-OG1 2.95Å; R584-T588 VanDerWaalsContact O-OG1 3.06Å; R584-I606 VanDerWaalsContact CA-CD1 3.48Å; R584-I606 HydrophobicContact CB-CD1 4.01Å; R584-D608 IonicContact NH2-OD2 3.63Å
585D92.5Very high90.5Very high65 Ų6539.8 Ų39.835%0.34823%0.228SC..Hα-helixtrans-64.1-42.6178.8-63.5-29.1000111.6Y559 S581 D582 A587 T588 E589Y559-D585 HydrophobicContact CE1-CB 4.39Å; Y559-D585 PolarHBondContact OH-OD2 3.11Å; Y559-D585 VanDerWaalsContact OH-OD2 3.09Å; S581-D585 PolarHBondContact O-N 2.94Å; D582-D585 PolarHBondContact O-N 2.77Å; D585-A587 VanDerWaalsContact C-N 3.34Å; D585-A587 PolarHBondContact O-N 3.42Å; D585-T588 WeakPolarHBondContact CA-OG1 3.32Å; D585-T588 PolarHBondContact O-N 3.24Å; D585-T588 PolarHBondContact O-OG1 2.96Å; D585-E589 WeakPolarHBondContact O-CB 3.27Å; D585-E589 WeakPolarHBondContact O-CG 3.28Å; D585-E589 PolarHBondContact O-N 3.45Å
586L94.3Very high90.6Very high0 Ų038.1 Ų38.10%022%0.215CC..Hα-helixtrans-59.2-44.317116965.5000111.9M558 L562 A570 Y571 A574 D582 W583 A590 T598M558-L586 HydrophobicContact SD-CB 4.26Å; L562-L586 HydrophobicContact CD1-CB 4.29Å; L562-L586 HydrophobicContact CD2-CD1 3.51Å; L562-L586 HydrophobicContact CG-CD1 4.27Å; A570-L586 HydrophobicContact CB-CD1 3.67Å; Y571-L586 HydrophobicContact CD2-CD2 4.29Å; A574-L586 HydrophobicContact CB-CD2 3.72Å; D582-L586 WeakPolarHBondContact O-CB 3.24Å; D582-L586 PolarHBondContact O-N 3.44Å; W583-L586 HydrophobicContact CE3-CD2 3.83Å; W583-L586 HydrophobicContact CZ3-CD2 3.66Å; L586-A590 WeakPolarHBondContact O-CB 3.19Å; L586-A590 PolarHBondContact O-N 2.81Å; L586-T598 HydrophobicContact CD1-CG2 4.45Å
587A93.2Very high90.9Very high0 Ų042.6 Ų42.60%024%0.236CC..Hα-helixtrans-65.9-41.2-178.600000111.9W583 R584 D585 L591 A602 F603 I606W583-A587 WeakPolarHBondContact O-CB 3.46Å; W583-A587 PolarHBondContact O-N 3.24Å; R584-A587 WeakPolarHBondContact O-CB 3.36Å; R584-A587 PolarHBondContact O-N 3.29Å; R584-A587 VanDerWaalsContact O-N 3.15Å; D585-A587 VanDerWaalsContact C-N 3.34Å; D585-A587 PolarHBondContact O-N 3.42Å; A587-L591 VanDerWaalsContact O-CB 3.3Å; A587-L591 WeakPolarHBondContact O-CB 3.43Å; A587-L591 PolarHBondContact O-N 3.34Å; A587-A602 HydrophobicContact CB-CB 3.58Å; A587-F603 HydrophobicContact CB-CD1 3.8Å; A587-F603 HydrophobicContact CB-CD2 3.85Å; A587-F603 HydrophobicContact CB-CE1 3.56Å; A587-F603 HydrophobicContact CB-CE2 3.6Å; A587-F603 HydrophobicContact CB-CG 3.93Å; A587-F603 HydrophobicContact CB-CZ 3.46Å; A587-F603 VanDerWaalsContact CB-CZ 3.46Å; A587-I606 HydrophobicContact CB-CD1 4.39Å
588T91.3Very high91.4Very high26 Ų2641.4 Ų41.416%0.1622%0.222CC..Hα-helixtrans-69.8-46.1178.447.90000112.1R584 D585 A590 L591 E592 F603R584-T588 WeakPolarHBondContact O-CG2 3.46Å; R584-T588 PolarHBondContact O-N 2.86Å; R584-T588 PolarHBondContact O-OG1 2.95Å; R584-T588 VanDerWaalsContact O-OG1 3.06Å; D585-T588 WeakPolarHBondContact CA-OG1 3.32Å; D585-T588 PolarHBondContact O-N 3.24Å; D585-T588 PolarHBondContact O-OG1 2.96Å; T588-A590 PolarHBondContact O-N 3.37Å; T588-L591 WeakPolarHBondContact O-CB 3.41Å; T588-L591 PolarHBondContact O-N 3Å; T588-E592 WeakPolarHBondContact O-CG 3.44Å; T588-E592 PolarHBondContact O-N 3.43Å; T588-F603 HydrophobicContact CG2-CZ 4.27Å
589E92.6Very high91.6Very high87 Ų8740.2 Ų40.241%0.40722%0.215SC..Hα-helixtrans-64.8-39.5178.2-75.6-70.5161.200111.8L562 F567 D585 L591 E592 G593L562-E589 HydrophobicContact CD2-CB 4.07Å; F567-E589 HydrophobicContact CE1-CB 4.25Å; F567-E589 WeakPolarHBondContact CE1-O 3.33Å; F567-E589 WeakPolarHBondContact CZ-O 3.47Å; D585-E589 WeakPolarHBondContact O-CB 3.27Å; D585-E589 WeakPolarHBondContact O-CG 3.28Å; D585-E589 PolarHBondContact O-N 3.45Å; E589-L591 VanDerWaalsContact C-N 3.33Å; E589-L591 PolarHBondContact O-N 3.1Å; E589-E592 PolarHBondContact O-N 3.42Å; E589-G593 PolarHBondContact O-N 3.11Å
590A93.8Very high91.8Very high0 Ų040.4 Ų40.40%021%0.21CC..Hα-helixtrans-65-36.7174.100000112.3F567 L586 T588 G593 L594 D595 T598 A599F567-A590 HydrophobicContact CB-CB 4.2Å; F567-A590 HydrophobicContact CD1-CB 3.9Å; F567-A590 HydrophobicContact CE1-CB 4.47Å; F567-A590 HydrophobicContact CG-CB 4.01Å; L586-A590 WeakPolarHBondContact O-CB 3.19Å; L586-A590 PolarHBondContact O-N 2.81Å; T588-A590 PolarHBondContact O-N 3.37Å; A590-G593 CarbonylContact O-C 3.48Å; A590-G593 PolarHBondContact O-N 2.66Å; A590-L594 PolarHBondContact O-N 3.2Å; A590-D595 PolarHBondContact O-N 3.19Å; A590-T598 HydrophobicContact CB-CG2 4.19Å; A590-A599 HydrophobicContact CB-CB 4.05Å
591L91.3Very high92Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-68.7-43177.1-174.963.1000111.7A587 T588 E589 G593 L594 F596 A599 F603 Y611 L614 I615 V636A587-L591 VanDerWaalsContact O-CB 3.3Å; A587-L591 WeakPolarHBondContact O-CB 3.43Å; A587-L591 PolarHBondContact O-N 3.34Å; T588-L591 WeakPolarHBondContact O-CB 3.41Å; T588-L591 PolarHBondContact O-N 3Å; E589-L591 VanDerWaalsContact C-N 3.33Å; E589-L591 PolarHBondContact O-N 3.1Å; L591-G593 VanDerWaalsContact C-N 3.27Å; L591-G593 PolarHBondContact O-N 2.63Å; L591-L594 PolarHBondContact O-N 3.19Å; L591-F596 HydrophobicContact CD1-CD1 3.82Å; L591-F596 HydrophobicContact CD1-CE1 3.88Å; L591-A599 HydrophobicContact CB-CB 3.99Å; L591-A599 HydrophobicContact CD1-CB 4.42Å; L591-F603 HydrophobicContact CD2-CE2 4.17Å; L591-Y611 HydrophobicContact CD2-CD1 3.65Å; L591-Y611 HydrophobicContact CD2-CE1 3.96Å; L591-L614 HydrophobicContact CD2-CD2 4.44Å; L591-I615 HydrophobicContact CD1-CD1 4.05Å; L591-I615 HydrophobicContact CD1-CG1 3.69Å; L591-V636 HydrophobicContact CD1-CG2 4.08Å; L591-V636 HydrophobicContact CD2-CG1 3.99Å; L591-V636 HydrophobicContact CD2-CG2 4.29Å; L591-V636 HydrophobicContact CG-CG1 3.84Å; L591-V636 HydrophobicContact CG-CG2 3.9Å
592E89.6Confident92.1Very high39 Ų3936.3 Ų36.318%0.18218%0.178CC..Hα-helixtrans-64.5-33.4172.7-68.7-172.8-154.500111.9T588 E589 L594 V636 Y637 Q640 K642T588-E592 WeakPolarHBondContact O-CG 3.44Å; T588-E592 PolarHBondContact O-N 3.43Å; E589-E592 PolarHBondContact O-N 3.42Å; E592-L594 PolarHBondContact O-N 3.06Å; E592-V636 HydrophobicContact CG-CG1 4.39Å; E592-Y637 HydrophobicContact CG-CE1 3.94Å; E592-Q640 VanDerWaalsContact CG-NE2 3.34Å; E592-Q640 VanDerWaalsContact OE1-CD 3.29Å; E592-Q640 PolarHBondContact OE1-NE2 2.92Å; E592-Q640 PolarHBondContact OE1-OE1 3.29Å; E592-K642 IonicContact OE1-NZ 2.68Å; E592-K642 PolarHBondContact OE1-NZ 2.85Å; E592-K642 IonicContact OE2-NZ 3.31Å; E592-K642 PolarHBondContact OE2-NZ 3.34Å
593G88.8Confident92.1Very high35 Ų3535.9 Ų35.936%0.36118%0.176SC..THydrogen-bonded Turntrans-72.9-0.1171.100000115.1E589 A590 L591 D595E589-G593 PolarHBondContact O-N 3.11Å; A590-G593 CarbonylContact O-C 3.48Å; A590-G593 PolarHBondContact O-N 2.66Å; L591-G593 VanDerWaalsContact C-N 3.27Å; L591-G593 PolarHBondContact O-N 2.63Å; G593-D595 PolarHBondContact O-N 3.11Å
594L88.6Confident92Very high48 Ų4840.4 Ų40.425%0.25120%0.199SC..THydrogen-bonded Turntrans58.422.7-175.7-54.6173.7000114.2A590 L591 E592 F596 N629 F632A590-L594 PolarHBondContact O-N 3.2Å; L591-L594 PolarHBondContact O-N 3.19Å; E592-L594 PolarHBondContact O-N 3.06Å; L594-F596 HydrophobicContact CB-CE2 4.32Å; L594-F596 HydrophobicContact CB-CZ 4.29Å; L594-F596 HydrophobicContact CD2-CE1 4.4Å; L594-F596 HydrophobicContact CD2-CZ 3.79Å; L594-F596 WeakPolarHBondContact O-CD2 3.31Å; L594-F596 PolarHBondContact O-N 3.17Å; L594-N629 HydrophobicContact CD1-CB 3.93Å; L594-F632 HydrophobicContact CD2-CB 4.44Å
595D91.3Very high91.8Very high31 Ų3141.5 Ų41.517%0.16620%0.203CC..  trans-90.675.4171.5-172.621.1000110.8F567 A590 G593 E597 T598 A599F567-D595 HydrophobicContact CB-CB 4.44Å; F567-D595 WeakPolarHBondContact CB-OD2 3.49Å; F567-D595 HydrophobicContact CD2-CB 3.73Å; F567-D595 HydrophobicContact CE2-CB 4.4Å; F567-D595 HydrophobicContact CG-CB 4.35Å; A590-D595 PolarHBondContact O-N 3.19Å; G593-D595 PolarHBondContact O-N 3.11Å; D595-E597 VanDerWaalsContact C-N 3.27Å; D595-E597 PolarHBondContact O-N 3.19Å; D595-T598 PolarHBondContact O-N 3.19Å; D595-T598 WeakPolarHBondContact OD2-CB 3.39Å; D595-T598 PolarHBondContact OD2-OG1 2.76Å; D595-A599 PolarHBondContact O-N 2.94Å; D595-A599 VanDerWaalsContact O-N 3.12Å
596F90.1Very high91.8Very high16 Ų1639.9 Ų39.97%0.0719%0.194CC..Hα-helixtrans-60.6-31.4-174.5-58.1-65.8000113.7L591 L594 K600 I615 I618L591-F596 HydrophobicContact CD1-CD1 3.82Å; L591-F596 HydrophobicContact CD1-CE1 3.88Å; L594-F596 HydrophobicContact CB-CE2 4.32Å; L594-F596 HydrophobicContact CB-CZ 4.29Å; L594-F596 HydrophobicContact CD2-CE1 4.4Å; L594-F596 HydrophobicContact CD2-CZ 3.79Å; L594-F596 WeakPolarHBondContact O-CD2 3.31Å; L594-F596 PolarHBondContact O-N 3.17Å; F596-K600 WeakPolarHBondContact O-CB 3.41Å; F596-K600 PolarHBondContact O-N 2.92Å; F596-I615 HydrophobicContact CB-CG2 4.11Å; F596-I615 HydrophobicContact CD1-CG1 4.45Å; F596-I615 HydrophobicContact CD1-CG2 4.32Å; F596-I618 HydrophobicContact CE1-CD1 4.22Å; F596-I618 HydrophobicContact CE1-CG2 3.88Å; F596-I618 HydrophobicContact CE2-CG2 4.11Å; F596-I618 HydrophobicContact CZ-CG2 3.58Å
597E92.1Very high91.6Very high115 Ų11550 Ų5054%0.53723%0.233SC..Hα-helixtrans-64.9-46.8179.5-74.3-163.6178.100111.9D595 K601D595-E597 VanDerWaalsContact C-N 3.27Å; D595-E597 PolarHBondContact O-N 3.19Å; E597-K601 VanDerWaalsContact O-CG 3.32Å; E597-K601 WeakPolarHBondContact O-CG 3.36Å; E597-K601 PolarHBondContact O-N 3.39Å; E597-K601 VanDerWaalsContact O-N 3.1Å
598T93.4Very high91.4Very high5 Ų550.9 Ų50.93%0.03124%0.237CC..Hα-helixtrans-69.4-45.7-179.9-590000110.6F567 Y571 L586 A590 D595 K600 K601 A602F567-T598 HydrophobicContact CB-CG2 4.1Å; Y571-T598 HydrophobicContact CD2-CG2 4.08Å; Y571-T598 HydrophobicContact CG-CG2 4.15Å; L586-T598 HydrophobicContact CD1-CG2 4.45Å; A590-T598 HydrophobicContact CB-CG2 4.19Å; D595-T598 PolarHBondContact O-N 3.19Å; D595-T598 WeakPolarHBondContact OD2-CB 3.39Å; D595-T598 PolarHBondContact OD2-OG1 2.76Å; T598-K600 VanDerWaalsContact C-N 3.34Å; T598-K600 PolarHBondContact O-N 2.8Å; T598-K601 PolarHBondContact O-N 3.48Å; T598-A602 WeakPolarHBondContact O-CB 3.04Å; T598-A602 PolarHBondContact O-N 3.02Å
599A93.1Very high91.3Very high0 Ų055.4 Ų55.40%026%0.26CS..Hα-helixtrans-57.5-46.5176.400000111.6A590 L591 D595 K601 A602 F603 I615A590-A599 HydrophobicContact CB-CB 4.05Å; L591-A599 HydrophobicContact CB-CB 3.99Å; L591-A599 HydrophobicContact CD1-CB 4.42Å; D595-A599 PolarHBondContact O-N 2.94Å; D595-A599 VanDerWaalsContact O-N 3.12Å; A599-K601 PolarHBondContact O-N 2.84Å; A599-A602 PolarHBondContact O-N 3.43Å; A599-F603 HydrophobicContact CB-CD2 4.39Å; A599-F603 HydrophobicContact CB-CE2 4.34Å; A599-F603 WeakPolarHBondContact O-CD2 3.19Å; A599-F603 PolarHBondContact O-N 3.43Å; A599-I615 HydrophobicContact CB-CD1 4.06Å
600K92.5Very high91.1Very high73 Ų7359.2 Ų59.232%0.31727%0.27SS..Hα-helixtrans-60.4-47177.7-173.6176.4-168.1166.10112F596 T598 A602 F603 I604 L612 I615 E619F596-K600 WeakPolarHBondContact O-CB 3.41Å; F596-K600 PolarHBondContact O-N 2.92Å; T598-K600 VanDerWaalsContact C-N 3.34Å; T598-K600 PolarHBondContact O-N 2.8Å; K600-A602 VanDerWaalsContact C-N 3.3Å; K600-A602 PolarHBondContact O-N 2.87Å; K600-F603 PolarHBondContact O-N 3.3Å; K600-I604 HydrophobicContact CG-CD1 4.04Å; K600-I604 WeakPolarHBondContact O-CB 3.37Å; K600-I604 WeakPolarHBondContact O-CD1 3.28Å; K600-I604 WeakPolarHBondContact O-CG1 3.39Å; K600-I604 PolarHBondContact O-N 3.22Å; K600-L612 HydrophobicContact CB-CD2 4.48Å; K600-L612 HydrophobicContact CG-CD2 3.88Å; K600-I615 HydrophobicContact CB-CD1 4.39Å; K600-I615 HydrophobicContact CB-CG2 4.38Å; K600-I615 HydrophobicContact CD-CG2 4.47Å; K600-E619 IonicContact NZ-OE1 3.81Å; K600-E619 IonicContact NZ-OE2 2.67Å; K600-E619 PolarHBondContact NZ-OE2 2.87Å
601K93.4Very high90.9Very high100 Ų10060.8 Ų60.844%0.43528%0.277SS..Hα-helixtrans-61.5-38.8177.1-73.9171.9-176.8164.70112.1Y571 E597 T598 A599 R605Y571-K601 HydrophobicContact CD2-CB 4.34Å; Y571-K601 HydrophobicContact CE1-CD 4.29Å; Y571-K601 HydrophobicContact CE2-CB 3.51Å; E597-K601 VanDerWaalsContact O-CG 3.32Å; E597-K601 WeakPolarHBondContact O-CG 3.36Å; E597-K601 PolarHBondContact O-N 3.39Å; E597-K601 VanDerWaalsContact O-N 3.1Å; T598-K601 PolarHBondContact O-N 3.48Å; A599-K601 PolarHBondContact O-N 2.84Å; K601-R605 PolarHBondContact O-N 3.33Å
602A92.9Very high90.9Very high0 Ų062.4 Ų62.40%029%0.285CS..Hα-helixtrans-69.5-47177.200000111.8W583 A587 T598 A599 K600 I604 R605 I606W583-A602 HydrophobicContact CE3-CB 3.88Å; W583-A602 HydrophobicContact CZ3-CB 4.1Å; A587-A602 HydrophobicContact CB-CB 3.58Å; T598-A602 WeakPolarHBondContact O-CB 3.04Å; T598-A602 PolarHBondContact O-N 3.02Å; A599-A602 PolarHBondContact O-N 3.43Å; K600-A602 VanDerWaalsContact C-N 3.3Å; K600-A602 PolarHBondContact O-N 2.87Å; A602-I604 PolarHBondContact O-N 2.95Å; A602-R605 WeakPolarHBondContact O-CB 3.32Å; A602-R605 PolarHBondContact O-N 2.86Å; A602-R605 VanDerWaalsContact O-N 3.07Å; A602-I606 WeakPolarHBondContact O-CG1 3.32Å; A602-I606 PolarHBondContact O-N 3.41Å; A602-I606 VanDerWaalsContact O-N 3.12Å
603F93.2Very high91Very high0 Ų067.2 Ų67.20%031%0.308CS..Hα-helixtrans-66.1-31.8177.4-74.2-58.2000113.8A587 T588 L591 A599 K600 R605 I606 R607 D608 Y611 L612 I615A587-F603 HydrophobicContact CB-CD1 3.8Å; A587-F603 HydrophobicContact CB-CD2 3.85Å; A587-F603 HydrophobicContact CB-CE1 3.56Å; A587-F603 HydrophobicContact CB-CE2 3.6Å; A587-F603 HydrophobicContact CB-CG 3.93Å; A587-F603 HydrophobicContact CB-CZ 3.46Å; A587-F603 VanDerWaalsContact CB-CZ 3.46Å; T588-F603 HydrophobicContact CG2-CZ 4.27Å; L591-F603 HydrophobicContact CD2-CE2 4.17Å; A599-F603 HydrophobicContact CB-CD2 4.39Å; A599-F603 HydrophobicContact CB-CE2 4.34Å; A599-F603 WeakPolarHBondContact O-CD2 3.19Å; A599-F603 PolarHBondContact O-N 3.43Å; K600-F603 PolarHBondContact O-N 3.3Å; F603-R605 VanDerWaalsContact C-N 3.28Å; F603-R605 PolarHBondContact O-N 2.81Å; F603-I606 HydrophobicContact CD1-CD1 4.45Å; F603-I606 PolarHBondContact O-N 2.9Å; F603-R607 WeakPolarHBondContact O-CA 3.26Å; F603-R607 PolarHBondContact O-N 2.93Å; F603-D608 HydrophobicContact CD1-CB 3.95Å; F603-D608 PolarHBondContact O-N 2.83Å; F603-D608 VanDerWaalsContact O-N 3.1Å; F603-Y611 HydrophobicContact CD1-CD2 4.25Å; F603-Y611 HydrophobicContact CD1-CG 4.22Å; F603-Y611 HydrophobicContact CD2-CG 4.42Å; F603-Y611 HydrophobicContact CE1-CD1 4.38Å; F603-Y611 AromaticContact CE1-CD2 3.66Å; F603-Y611 HydrophobicContact CE1-CD2 3.66Å; F603-Y611 HydrophobicContact CE1-CE2 4.29Å; F603-Y611 AromaticContact CE1-CG 3.71Å; F603-Y611 HydrophobicContact CE1-CG 3.71Å; F603-Y611 HydrophobicContact CE2-CD1 4.08Å; F603-Y611 AromaticContact CE2-CG 3.94Å; F603-Y611 HydrophobicContact CE2-CG 3.94Å; F603-Y611 AromaticContact CZ-CD1 3.8Å; F603-Y611 HydrophobicContact CZ-CD1 3.8Å; F603-Y611 AromaticContact CZ-CD2 3.92Å; F603-Y611 HydrophobicContact CZ-CD2 3.92Å; F603-Y611 HydrophobicContact CZ-CE1 4.33Å; F603-Y611 HydrophobicContact CZ-CE2 4.44Å; F603-Y611 AromaticContact CZ-CG 3.56Å; F603-Y611 HydrophobicContact CZ-CG 3.56Å; F603-L612 HydrophobicContact CB-CD2 3.79Å; F603-L612 HydrophobicContact CB-CG 4.06Å; F603-I615 HydrophobicContact CD2-CD1 3.83Å; F603-I615 HydrophobicContact CE2-CD1 4.28Å
604I91.4Very high91Very high98 Ų9866.4 Ų66.450%0.50330%0.295SS..Hα-helixtrans-59.5-42.2170.1-73.8165.5000110.5K600 A602 R607 L612K600-I604 HydrophobicContact CG-CD1 4.04Å; K600-I604 WeakPolarHBondContact O-CB 3.37Å; K600-I604 WeakPolarHBondContact O-CD1 3.28Å; K600-I604 WeakPolarHBondContact O-CG1 3.39Å; K600-I604 PolarHBondContact O-N 3.22Å; A602-I604 PolarHBondContact O-N 2.95Å; I604-R607 PolarHBondContact O-N 2.78Å; I604-L612 HydrophobicContact CG1-CD1 3.9Å; I604-L612 HydrophobicContact CG1-CD2 3.83Å
605R89.4Confident91.1Very high133 Ų13364.1 Ų64.150%0.50228%0.283SS..Hα-helixtrans-66.6-41-179.5-166.8177.9179.9115.8-1112K601 A602 F603 R607K601-R605 PolarHBondContact O-N 3.33Å; A602-R605 WeakPolarHBondContact O-CB 3.32Å; A602-R605 PolarHBondContact O-N 2.86Å; A602-R605 VanDerWaalsContact O-N 3.07Å; F603-R605 VanDerWaalsContact C-N 3.28Å; F603-R605 PolarHBondContact O-N 2.81Å; R605-R607 VanDerWaalsContact C-N 3.26Å; R605-R607 PolarHBondContact O-N 2.85Å
606I91.7Very high91.1Very high31 Ų3164.9 Ų64.916%0.15929%0.291CS..Hα-helixtrans-76.2-14.9177.1-54.7163000111.9W583 R584 A587 A602 F603W583-I606 VanDerWaalsContact C-CD1 3.45Å; W583-I606 HydrophobicContact CB-CD1 3.76Å; W583-I606 HydrophobicContact CB-CG1 3.75Å; R584-I606 VanDerWaalsContact CA-CD1 3.48Å; R584-I606 HydrophobicContact CB-CD1 4.01Å; A587-I606 HydrophobicContact CB-CD1 4.39Å; A602-I606 WeakPolarHBondContact O-CG1 3.32Å; A602-I606 PolarHBondContact O-N 3.41Å; A602-I606 VanDerWaalsContact O-N 3.12Å; F603-I606 HydrophobicContact CD1-CD1 4.45Å; F603-I606 PolarHBondContact O-N 2.9Å
607R90.3Very high91Very high213 Ų21366.1 Ų66.180%0.80430%0.302SS*.THydrogen-bonded Turntrans63.335.3-175-51.8178.6176.6-178.4-1.2113.7F603 I604 R605 L609F603-R607 WeakPolarHBondContact O-CA 3.26Å; F603-R607 PolarHBondContact O-N 2.93Å; I604-R607 PolarHBondContact O-N 2.78Å; R605-R607 VanDerWaalsContact C-N 3.26Å; R605-R607 PolarHBondContact O-N 2.85Å; R607-L609 PolarHBondContact O-N 2.84Å
608D89.3Confident90.8Very high18 Ų1860.7 Ų60.710%0.09628%0.276CS..  trans-8989.9176.3-158.6-31.4000111.3R584 F603 R610 L612R584-D608 IonicContact NH2-OD2 3.63Å; F603-D608 HydrophobicContact CD1-CB 3.95Å; F603-D608 PolarHBondContact O-N 2.83Å; F603-D608 VanDerWaalsContact O-N 3.1Å; D608-R610 VanDerWaalsContact C-N 3.25Å; D608-R610 PolarHBondContact O-N 3.07Å; D608-R610 PolarHBondContact OD1-N 3.09Å; D608-R610 IonicContact OD1-NE 2.77Å; D608-L612 WeakPolarHBondContact O-CG 3.3Å; D608-L612 PolarHBondContact O-N 2.79Å
609L88.9Confident90.5Very high122 Ų12262.6 Ų62.664%0.63929%0.285SS*.Hα-helixtrans-61.7-31.5-175.7-63.7173.9000113.2R607 L612 E613R607-L609 PolarHBondContact O-N 2.84Å; L609-L612 HydrophobicContact CD2-CD1 4.49Å; L609-L612 WeakPolarHBondContact O-CB 3.36Å; L609-L612 PolarHBondContact O-N 3.25Å; L609-E613 WeakPolarHBondContact O-CG 3.17Å; L609-E613 PolarHBondContact O-N 2.73Å
610R89.1Confident90.3Very high166 Ų16666.6 Ų66.663%0.62630%0.304SS*.Hα-helixtrans-63.7-45.9-176-72.9-171.9-62.7176.7-1.1112.1D608 L612 E613 L614 F639D608-R610 VanDerWaalsContact C-N 3.25Å; D608-R610 PolarHBondContact O-N 3.07Å; D608-R610 PolarHBondContact OD1-N 3.09Å; D608-R610 IonicContact OD1-NE 2.77Å; R610-L612 VanDerWaalsContact C-N 3.33Å; R610-E613 PolarHBondContact O-N 2.85Å; R610-L614 PolarHBondContact O-N 2.84Å; R610-F639 HydrophobicContact CB-CE1 4.19Å; R610-F639 HydrophobicContact CB-CZ 3.89Å
611Y89.5Confident90Very high33 Ų3365.4 Ų65.413%0.12930%0.297CS..Hα-helixtrans-71-29.3175.7-79.8-78.1000112.4L591 F603 L614 I615 F639 Q640L591-Y611 HydrophobicContact CD2-CD1 3.65Å; L591-Y611 HydrophobicContact CD2-CE1 3.96Å; F603-Y611 HydrophobicContact CD1-CD2 4.25Å; F603-Y611 HydrophobicContact CD1-CG 4.22Å; F603-Y611 HydrophobicContact CD2-CG 4.42Å; F603-Y611 HydrophobicContact CE1-CD1 4.38Å; F603-Y611 AromaticContact CE1-CD2 3.66Å; F603-Y611 HydrophobicContact CE1-CD2 3.66Å; F603-Y611 HydrophobicContact CE1-CE2 4.29Å; F603-Y611 AromaticContact CE1-CG 3.71Å; F603-Y611 HydrophobicContact CE1-CG 3.71Å; F603-Y611 HydrophobicContact CE2-CD1 4.08Å; F603-Y611 AromaticContact CE2-CG 3.94Å; F603-Y611 HydrophobicContact CE2-CG 3.94Å; F603-Y611 AromaticContact CZ-CD1 3.8Å; F603-Y611 HydrophobicContact CZ-CD1 3.8Å; F603-Y611 AromaticContact CZ-CD2 3.92Å; F603-Y611 HydrophobicContact CZ-CD2 3.92Å; F603-Y611 HydrophobicContact CZ-CE1 4.33Å; F603-Y611 HydrophobicContact CZ-CE2 4.44Å; F603-Y611 AromaticContact CZ-CG 3.56Å; F603-Y611 HydrophobicContact CZ-CG 3.56Å; Y611-L614 HydrophobicContact CD1-CD2 4.41Å; Y611-L614 PolarHBondContact O-N 3.43Å; Y611-I615 VanDerWaalsContact O-CG1 3.23Å; Y611-I615 WeakPolarHBondContact O-CG1 3.26Å; Y611-I615 PolarHBondContact O-N 3.3Å; Y611-F639 AromaticContact CD1-CD1 3.9Å; Y611-F639 HydrophobicContact CD1-CD1 3.9Å; Y611-F639 AromaticContact CD1-CE1 3.98Å; Y611-F639 HydrophobicContact CD1-CE1 3.98Å; Y611-F639 HydrophobicContact CD2-CE1 4.28Å; Y611-F639 AromaticContact CE1-CD1 3.54Å; Y611-F639 HydrophobicContact CE1-CD1 3.54Å; Y611-F639 AromaticContact CE1-CE1 3.97Å; Y611-F639 HydrophobicContact CE1-CE1 3.97Å; Y611-F639 HydrophobicContact CE2-CD1 4.47Å; Y611-F639 HydrophobicContact CE2-CE1 4.25Å; Y611-F639 HydrophobicContact CG-CE1 4.15Å; Y611-F639 AromaticContact CZ-CD1 3.86Å; Y611-Q640 HydrophobicContact CE1-CG 4.43Å
612L90.3Very high89.6Confident34 Ų3465 Ų6518%0.17830%0.295CS..Hα-helixtrans-68.7-39.3175.1-65.7173.7000112.4K600 F603 I604 D608 L609 R610 I615 S616K600-L612 HydrophobicContact CB-CD2 4.48Å; K600-L612 HydrophobicContact CG-CD2 3.88Å; F603-L612 HydrophobicContact CB-CD2 3.79Å; F603-L612 HydrophobicContact CB-CG 4.06Å; I604-L612 HydrophobicContact CG1-CD1 3.9Å; I604-L612 HydrophobicContact CG1-CD2 3.83Å; D608-L612 WeakPolarHBondContact O-CG 3.3Å; D608-L612 PolarHBondContact O-N 2.79Å; L609-L612 HydrophobicContact CD2-CD1 4.49Å; L609-L612 WeakPolarHBondContact O-CB 3.36Å; L609-L612 PolarHBondContact O-N 3.25Å; R610-L612 VanDerWaalsContact C-N 3.33Å; L612-I615 PolarHBondContact O-N 2.69Å; L612-S616 WeakPolarHBondContact O-CB 3.31Å; L612-S616 PolarHBondContact O-N 2.98Å
613E90.8Very high89.3Confident140 Ų14073.4 Ų73.465%0.65433%0.332SS*.Hα-helixtrans-62.3-44.3172.5-73.9176-178.200111.3L609 R610 S616 S617L609-E613 WeakPolarHBondContact O-CG 3.17Å; L609-E613 PolarHBondContact O-N 2.73Å; R610-E613 PolarHBondContact O-N 2.85Å; E613-S616 PolarHBondContact O-N 2.87Å; E613-S617 WeakPolarHBondContact O-CB 3.31Å; E613-S617 PolarHBondContact O-N 2.85Å
614L90Very high88.9Confident18 Ų1882.6 Ų82.69%0.09437%0.366CS..Hα-helixtrans-58.6-50.7174.9178.868.1000111.4L591 R610 Y611 S616 S617 I618 V636 F639L591-L614 HydrophobicContact CD2-CD2 4.44Å; R610-L614 PolarHBondContact O-N 2.84Å; Y611-L614 HydrophobicContact CD1-CD2 4.41Å; Y611-L614 PolarHBondContact O-N 3.43Å; L614-S616 VanDerWaalsContact C-N 3.33Å; L614-S616 PolarHBondContact O-N 2.89Å; L614-S617 WeakPolarHBondContact O-CB 3.37Å; L614-S617 PolarHBondContact O-N 2.92Å; L614-S617 PolarHBondContact O-OG 2.93Å; L614-I618 HydrophobicContact CD1-CD1 4.15Å; L614-I618 HydrophobicContact CG-CD1 4.02Å; L614-I618 WeakPolarHBondContact O-CG1 3.37Å; L614-I618 PolarHBondContact O-N 3.05Å; L614-V636 HydrophobicContact CD2-CG2 4.5Å; L614-F639 HydrophobicContact CD1-CD2 4.28Å; L614-F639 HydrophobicContact CD2-CB 3.68Å; L614-F639 HydrophobicContact CD2-CD1 3.95Å; L614-F639 HydrophobicContact CD2-CD2 4.14Å; L614-F639 HydrophobicContact CD2-CG 3.67Å
615I90.8Very high88.4Confident0 Ų080.6 Ų80.60%037%0.37CS..Hα-helixtrans-60.7-43.7178.7-68.2165.6000110.4L591 F596 A599 K600 F603 Y611 L612 S617 I618 E619L591-I615 HydrophobicContact CD1-CD1 4.05Å; L591-I615 HydrophobicContact CD1-CG1 3.69Å; F596-I615 HydrophobicContact CB-CG2 4.11Å; F596-I615 HydrophobicContact CD1-CG1 4.45Å; F596-I615 HydrophobicContact CD1-CG2 4.32Å; A599-I615 HydrophobicContact CB-CD1 4.06Å; K600-I615 HydrophobicContact CB-CD1 4.39Å; K600-I615 HydrophobicContact CB-CG2 4.38Å; K600-I615 HydrophobicContact CD-CG2 4.47Å; F603-I615 HydrophobicContact CD2-CD1 3.83Å; F603-I615 HydrophobicContact CE2-CD1 4.28Å; Y611-I615 VanDerWaalsContact O-CG1 3.23Å; Y611-I615 WeakPolarHBondContact O-CG1 3.26Å; Y611-I615 PolarHBondContact O-N 3.3Å; L612-I615 PolarHBondContact O-N 2.69Å; I615-S617 VanDerWaalsContact C-N 3.32Å; I615-S617 PolarHBondContact O-N 2.8Å; I615-I618 PolarHBondContact O-N 3.03Å; I615-E619 HydrophobicContact CG2-CG 4.17Å; I615-E619 WeakPolarHBondContact O-CB 3.23Å; I615-E619 WeakPolarHBondContact O-CG 3.43Å; I615-E619 PolarHBondContact O-N 3.44Å
616S90.2Very high87.9Confident48 Ų4877.2 Ų77.234%0.33636%0.36SS..Hα-helixtrans-60.5-41.7176.4-166.40000111.5L612 E613 L614 I618 E619 E620L612-S616 WeakPolarHBondContact O-CB 3.31Å; L612-S616 PolarHBondContact O-N 2.98Å; E613-S616 PolarHBondContact O-N 2.87Å; L614-S616 VanDerWaalsContact C-N 3.33Å; L614-S616 PolarHBondContact O-N 2.89Å; S616-I618 VanDerWaalsContact C-N 3.34Å; S616-I618 PolarHBondContact O-N 2.83Å; S616-E619 PolarHBondContact O-N 2.82Å; S616-E620 WeakPolarHBondContact O-CB 3.22Å; S616-E620 WeakPolarHBondContact O-CG 3.48Å; S616-E620 PolarHBondContact O-N 2.85Å
617S89.8Confident87.1Confident42 Ų4281.1 Ų81.129%0.29438%0.381SS..Hα-helixtrans-63.2-38.3176.985.10000112.4E613 L614 I615 R621E613-S617 WeakPolarHBondContact O-CB 3.31Å; E613-S617 PolarHBondContact O-N 2.85Å; L614-S617 WeakPolarHBondContact O-CB 3.37Å; L614-S617 PolarHBondContact O-N 2.92Å; L614-S617 PolarHBondContact O-OG 2.93Å; I615-S617 VanDerWaalsContact C-N 3.32Å; I615-S617 PolarHBondContact O-N 2.8Å; S617-R621 WeakPolarHBondContact O-CB 3.35Å; S617-R621 VanDerWaalsContact O-CG 3.27Å; S617-R621 WeakPolarHBondContact O-CG 3.26Å; S617-R621 PolarHBondContact O-N 3.35Å; S617-R621 VanDerWaalsContact O-N 3.12Å; S617-R621 PolarHBondContact O-NE 2.71Å; S617-R621 VanDerWaalsContact O-NE 3.17Å
618I87.6Confident86.8Confident0 Ų073.4 Ų73.40%036%0.356CS..Hα-helixtrans-72.5-44.7177.9-68.1168.2000110F596 L614 I615 S616 E620 R621 K622 F632 V636F596-I618 HydrophobicContact CE1-CD1 4.22Å; F596-I618 HydrophobicContact CE1-CG2 3.88Å; F596-I618 HydrophobicContact CE2-CG2 4.11Å; F596-I618 HydrophobicContact CZ-CG2 3.58Å; L614-I618 HydrophobicContact CD1-CD1 4.15Å; L614-I618 HydrophobicContact CG-CD1 4.02Å; L614-I618 WeakPolarHBondContact O-CG1 3.37Å; L614-I618 PolarHBondContact O-N 3.05Å; I615-I618 PolarHBondContact O-N 3.03Å; S616-I618 VanDerWaalsContact C-N 3.34Å; S616-I618 PolarHBondContact O-N 2.83Å; I618-E620 VanDerWaalsContact C-N 3.34Å; I618-E620 PolarHBondContact O-N 3.48Å; I618-R621 VanDerWaalsContact CG1-NH2 3.31Å; I618-R621 PolarHBondContact O-N 3.38Å; I618-K622 WeakPolarHBondContact O-CB 3.48Å; I618-K622 PolarHBondContact O-N 2.97Å; I618-F632 HydrophobicContact CB-CD1 4.37Å; I618-F632 HydrophobicContact CG1-CD1 4.19Å; I618-F632 HydrophobicContact CG2-CB 4.24Å; I618-F632 HydrophobicContact CG2-CD1 3.61Å; I618-F632 HydrophobicContact CG2-CD2 4.33Å; I618-F632 HydrophobicContact CG2-CE1 3.98Å; I618-F632 HydrophobicContact CG2-CG 3.81Å; I618-F632 HydrophobicContact CG2-CZ 4.47Å; I618-V636 HydrophobicContact CD1-CG2 4.04Å
619E87.6Confident86.5Confident45 Ų4576.9 Ų76.921%0.2138%0.375CS..Hα-helixtrans-60.6-40.9176.2-75.2-178.1156.400111.9K600 I615 S616 K622 K623K600-E619 IonicContact NZ-OE1 3.81Å; K600-E619 IonicContact NZ-OE2 2.67Å; K600-E619 PolarHBondContact NZ-OE2 2.87Å; I615-E619 HydrophobicContact CG2-CG 4.17Å; I615-E619 WeakPolarHBondContact O-CB 3.23Å; I615-E619 WeakPolarHBondContact O-CG 3.43Å; I615-E619 PolarHBondContact O-N 3.44Å; S616-E619 PolarHBondContact O-N 2.82Å; E619-K622 PolarHBondContact O-N 2.76Å; E619-K623 WeakPolarHBondContact O-CG 3.41Å; E619-K623 PolarHBondContact O-N 3.41Å
620E87.7Confident86.3Confident85 Ų8575 Ų7540%0.39736%0.363SS..Hα-helixtrans-65.1-42.2174.7-80.5-176-160.100112.7S616 I618 K622 K623 R624S616-E620 WeakPolarHBondContact O-CB 3.22Å; S616-E620 WeakPolarHBondContact O-CG 3.48Å; S616-E620 PolarHBondContact O-N 2.85Å; I618-E620 VanDerWaalsContact C-N 3.34Å; I618-E620 PolarHBondContact O-N 3.48Å; E620-K622 VanDerWaalsContact C-N 3.34Å; E620-K623 WeakPolarHBondContact O-CB 3.12Å; E620-K623 PolarHBondContact O-N 2.99Å; E620-R624 VanDerWaalsContact O-CG 3.31Å; E620-R624 WeakPolarHBondContact O-CG 3.46Å; E620-R624 PolarHBondContact O-N 3.12Å; E620-R624 IonicContact OE2-CZ 2.72Å; E620-R624 IonicContact OE2-NH2 3.06Å; E620-R624 PolarHBondContact OE2-NH2 3.43Å
621R85.9Confident86.1Confident47 Ų4767.1 Ų67.118%0.17733%0.333CS..Hα-helixtrans-64.4-40.2176-78-177.2-67.7155.4-9.3111.8S617 I618 K623 R624 G625 E626 F632 D635S617-R621 WeakPolarHBondContact O-CB 3.35Å; S617-R621 VanDerWaalsContact O-CG 3.27Å; S617-R621 WeakPolarHBondContact O-CG 3.26Å; S617-R621 PolarHBondContact O-N 3.35Å; S617-R621 VanDerWaalsContact O-N 3.12Å; S617-R621 PolarHBondContact O-NE 2.71Å; S617-R621 VanDerWaalsContact O-NE 3.17Å; I618-R621 VanDerWaalsContact CG1-NH2 3.31Å; I618-R621 PolarHBondContact O-N 3.38Å; R621-K623 PolarHBondContact O-N 2.72Å; R621-R624 CarbonylContact O-C 3.54Å; R621-R624 WeakPolarHBondContact O-CB 3.46Å; R621-R624 PolarHBondContact O-N 3.06Å; R621-R624 VanDerWaalsContact O-N 3.1Å; R621-G625 PolarHBondContact O-N 3.08Å; R621-E626 HydrophobicContact CB-CB 4.42Å; R621-E626 WeakPolarHBondContact CB-OE2 3.18Å; R621-E626 VanDerWaalsContact CD-OE2 3.3Å; R621-E626 WeakPolarHBondContact CD-OE2 3.4Å; R621-E626 WeakPolarHBondContact O-CB 3.13Å; R621-E626 PolarHBondContact O-N 3.2Å; R621-E626 VanDerWaalsContact O-N 3.13Å; R621-F632 HydrophobicContact CB-CE1 4.07Å; R621-F632 HydrophobicContact CB-CZ 4.39Å; R621-D635 IonicContact CZ-OD2 4Å; R621-D635 IonicContact NH1-OD2 3.94Å; R621-D635 PolarHBondContact NH1-OD2 3.03Å; R621-D635 IonicContact NH2-OD2 3.21Å; R621-D635 PolarHBondContact NH2-OD2 3.42Å
622K85.8Confident86Confident93 Ų9365.6 Ų65.640%0.40433%0.327SS..Hα-helixtrans-62.5-39.4172.7-163.5170.7-175.9170.90112.7I618 E619 E620 R624 G625 E626 F632I618-K622 WeakPolarHBondContact O-CB 3.48Å; I618-K622 PolarHBondContact O-N 2.97Å; E619-K622 PolarHBondContact O-N 2.76Å; E620-K622 VanDerWaalsContact C-N 3.34Å; K622-R624 VanDerWaalsContact C-N 3.31Å; K622-R624 PolarHBondContact O-N 2.94Å; K622-G625 PolarHBondContact O-N 3.21Å; K622-E626 WeakPolarHBondContact CA-O 3.47Å; K622-F632 HydrophobicContact CB-CZ 4.48Å
623K85.5Confident85.9Confident175 Ų17565.7 Ų65.776%0.76133%0.327SS*.Hα-helixtrans-65.4-31172.5-75.4173.2-177.1174.90113.1E619 E620 R621 G625E619-K623 WeakPolarHBondContact O-CG 3.41Å; E619-K623 PolarHBondContact O-N 3.41Å; E620-K623 WeakPolarHBondContact O-CB 3.12Å; E620-K623 PolarHBondContact O-N 2.99Å; R621-K623 PolarHBondContact O-N 2.72Å; K623-G625 PolarHBondContact O-N 2.85Å
624R85.8Confident85.7Confident193 Ų19359 Ų5973%0.72830%0.296SS*.THydrogen-bonded Turntrans-78.6-1.7175.3-67.3176.8-136.2-152.85.4113.5E620 R621 K622E620-R624 VanDerWaalsContact O-CG 3.31Å; E620-R624 WeakPolarHBondContact O-CG 3.46Å; E620-R624 PolarHBondContact O-N 3.12Å; E620-R624 IonicContact OE2-CZ 2.72Å; E620-R624 IonicContact OE2-NH2 3.06Å; E620-R624 PolarHBondContact OE2-NH2 3.43Å; R621-R624 CarbonylContact O-C 3.54Å; R621-R624 WeakPolarHBondContact O-CB 3.46Å; R621-R624 PolarHBondContact O-N 3.06Å; R621-R624 VanDerWaalsContact O-N 3.1Å; K622-R624 VanDerWaalsContact C-N 3.31Å; K622-R624 PolarHBondContact O-N 2.94Å
625G80.4Confident85.5Confident56 Ų5659 Ų5958%0.57730%0.296SS*.THydrogen-bonded Turntrans99.76174.500000115.4R621 K622 K623 N627R621-G625 PolarHBondContact O-N 3.08Å; K622-G625 PolarHBondContact O-N 3.21Å; K623-G625 PolarHBondContact O-N 2.85Å; G625-N627 PolarHBondContact O-N 3.49Å
626E78.6Confident85.4Confident62 Ų6259 Ų5929%0.2930%0.296SS..  trans-79.5115.3173.5-164.6169.9-146.100109.1R621 K622 L631 F632R621-E626 HydrophobicContact CB-CB 4.42Å; R621-E626 WeakPolarHBondContact CB-OE2 3.18Å; R621-E626 VanDerWaalsContact CD-OE2 3.3Å; R621-E626 WeakPolarHBondContact CD-OE2 3.4Å; R621-E626 WeakPolarHBondContact O-CB 3.13Å; R621-E626 PolarHBondContact O-N 3.2Å; R621-E626 VanDerWaalsContact O-N 3.13Å; K622-E626 WeakPolarHBondContact CA-O 3.47Å; E626-L631 HydrophobicContact CG-CD2 4.48Å; E626-L631 VanDerWaalsContact OE1-CD2 3.22Å; E626-L631 WeakPolarHBondContact OE1-CD2 3.5Å; E626-F632 HydrophobicContact CB-CZ 4.2Å; E626-F632 HydrophobicContact CG-CE1 4.5Å; E626-F632 HydrophobicContact CG-CZ 4.17Å; E626-F632 WeakPolarHBondContact O-CE2 3.41Å; E626-F632 WeakPolarHBondContact O-CZ 3.28Å
627N76.1Confident85.4Confident113 Ų11358.6 Ų58.660%0.60429%0.287SS*.  trans-120.924-175.2-78.6-37.4000113.1G625 N629G625-N627 PolarHBondContact O-N 3.49Å; N627-N629 PolarHBondContact O-N 3.01Å
628D83.2Confident85.2Confident52 Ų5257.5 Ų57.528%0.27828%0.281SS..  trans-82.298.8178.7-170.6-15.5000111.1E630 L631 F632 A653D628-E630 PolarHBondContact O-N 3.03Å; D628-E630 WeakPolarHBondContact OD1-CB 3.46Å; D628-E630 PolarHBondContact OD1-N 3.4Å; D628-L631 HydrophobicContact CB-CB 3.76Å; D628-L631 PolarHBondContact O-N 3.16Å; D628-L631 PolarHBondContact OD1-N 2.91Å; D628-L631 VanDerWaalsContact OD1-N 3.14Å; D628-F632 WeakPolarHBondContact O-CD2 3.31Å; D628-F632 WeakPolarHBondContact O-CG 3.11Å; D628-F632 PolarHBondContact O-N 3.37Å; D628-A653 WeakPolarHBondContact OD2-CB 3.11Å
629N83.6Confident85.2Confident91 Ų9161.9 Ų61.949%0.48730%0.3SS..Hα-helixtrans-63.5-28.7178.4-68.9-24000112.7L594 N627 L633L594-N629 HydrophobicContact CD1-CB 3.93Å; N627-N629 PolarHBondContact O-N 3.01Å; N629-L633 WeakPolarHBondContact O-CB 3.49Å; N629-L633 PolarHBondContact O-N 3.43Å
630E83.9Confident85.1Confident83 Ų8361.8 Ų61.839%0.38830%0.3SS..Hα-helixtrans-73.9-37.8177.6-62.7-165.3163.100110.8D628 L633 A634 L649 R652D628-E630 PolarHBondContact O-N 3.03Å; D628-E630 WeakPolarHBondContact OD1-CB 3.46Å; D628-E630 PolarHBondContact OD1-N 3.4Å; E630-L633 PolarHBondContact O-N 3.38Å; E630-A634 WeakPolarHBondContact O-CB 3.4Å; E630-A634 PolarHBondContact O-N 2.97Å; E630-L649 HydrophobicContact CB-CD2 4.43Å; E630-R652 WeakPolarHBondContact OE2-CB 3.2Å
631L86.1Confident84.9Confident0 Ų059.4 Ų59.40%030%0.298CS..Hα-helixtrans-64.3-44.2173.5-176.961.8000111.8E626 D628 A634 D635 Y650 A653E626-L631 HydrophobicContact CG-CD2 4.48Å; E626-L631 VanDerWaalsContact OE1-CD2 3.22Å; E626-L631 WeakPolarHBondContact OE1-CD2 3.5Å; D628-L631 HydrophobicContact CB-CB 3.76Å; D628-L631 PolarHBondContact O-N 3.16Å; D628-L631 PolarHBondContact OD1-N 2.91Å; D628-L631 VanDerWaalsContact OD1-N 3.14Å; L631-A634 WeakPolarHBondContact O-CB 3.42Å; L631-A634 PolarHBondContact O-N 3.14Å; L631-D635 PolarHBondContact O-N 2.76Å; L631-Y650 HydrophobicContact CD1-CD1 3.62Å; L631-Y650 HydrophobicContact CD1-CE1 3.64Å; L631-A653 HydrophobicContact CB-CB 4.24Å
632F87.4Confident84.9Confident1 Ų160.8 Ų60.80%0.00431%0.305CS..Hα-helixtrans-65.8-39177.1-62.7-42.2000112.5L594 I618 R621 K622 E626 D628 A634 D635 V636L594-F632 HydrophobicContact CD2-CB 4.44Å; I618-F632 HydrophobicContact CB-CD1 4.37Å; I618-F632 HydrophobicContact CG1-CD1 4.19Å; I618-F632 HydrophobicContact CG2-CB 4.24Å; I618-F632 HydrophobicContact CG2-CD1 3.61Å; I618-F632 HydrophobicContact CG2-CD2 4.33Å; I618-F632 HydrophobicContact CG2-CE1 3.98Å; I618-F632 HydrophobicContact CG2-CG 3.81Å; I618-F632 HydrophobicContact CG2-CZ 4.47Å; R621-F632 HydrophobicContact CB-CE1 4.07Å; R621-F632 HydrophobicContact CB-CZ 4.39Å; K622-F632 HydrophobicContact CB-CZ 4.48Å; E626-F632 HydrophobicContact CB-CZ 4.2Å; E626-F632 HydrophobicContact CG-CE1 4.5Å; E626-F632 HydrophobicContact CG-CZ 4.17Å; E626-F632 WeakPolarHBondContact O-CE2 3.41Å; E626-F632 WeakPolarHBondContact O-CZ 3.28Å; D628-F632 WeakPolarHBondContact O-CD2 3.31Å; D628-F632 WeakPolarHBondContact O-CG 3.11Å; D628-F632 PolarHBondContact O-N 3.37Å; F632-A634 VanDerWaalsContact C-N 3.32Å; F632-D635 PolarHBondContact O-N 3.05Å; F632-V636 VanDerWaalsContact O-CG2 3.32Å; F632-V636 WeakPolarHBondContact O-CG2 3.34Å; F632-V636 PolarHBondContact O-N 3.42Å
633L87.4Confident85Confident35 Ų3558.7 Ų58.718%0.18330%0.296CS..Hα-helixtrans-67-34.9173.9-171.862.7000111.5N629 E630 V636 Y637 L649N629-L633 WeakPolarHBondContact O-CB 3.49Å; N629-L633 PolarHBondContact O-N 3.43Å; E630-L633 PolarHBondContact O-N 3.38Å; L633-V636 PolarHBondContact O-N 2.99Å; L633-Y637 HydrophobicContact CD1-CD1 4.49Å; L633-Y637 HydrophobicContact CD1-CE1 4.09Å; L633-Y637 HydrophobicContact CD1-CE2 4.2Å; L633-Y637 HydrophobicContact CD2-CE2 4.12Å; L633-Y637 HydrophobicContact CG-CD2 4.21Å; L633-Y637 HydrophobicContact CG-CE2 3.9Å; L633-Y637 WeakPolarHBondContact O-CB 3.45Å; L633-Y637 PolarHBondContact O-N 3.21Å; L633-L649 HydrophobicContact CB-CD1 4.13Å; L633-L649 HydrophobicContact CD2-CD1 3.94Å; L633-L649 HydrophobicContact CG-CD1 3.86Å
634A85.9Confident84.9Confident0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-63.1-42.4173.400000112.1E630 L631 F632 Y637 A638 A646 L649 Y650E630-A634 WeakPolarHBondContact O-CB 3.4Å; E630-A634 PolarHBondContact O-N 2.97Å; L631-A634 WeakPolarHBondContact O-CB 3.42Å; L631-A634 PolarHBondContact O-N 3.14Å; F632-A634 VanDerWaalsContact C-N 3.32Å; A634-Y637 PolarHBondContact O-N 3.02Å; A634-A638 VanDerWaalsContact O-CB 3.27Å; A634-A638 WeakPolarHBondContact O-CB 3.32Å; A634-A638 PolarHBondContact O-N 3.36Å; A634-A646 WeakPolarHBondContact O-CB 3.29Å; A634-L649 HydrophobicContact CB-CB 3.66Å; A634-Y650 HydrophobicContact CB-CD1 3.67Å; A634-Y650 HydrophobicContact CB-CD2 4.08Å; A634-Y650 HydrophobicContact CB-CE1 3.61Å; A634-Y650 HydrophobicContact CB-CE2 4.02Å; A634-Y650 HydrophobicContact CB-CG 3.89Å
635D87.4Confident84.9Confident18 Ų1853.1 Ų53.110%0.09627%0.274CS..Hα-helixtrans-62.8-42.8174.8-65.1-34.3000111.2R621 L631 F632 A638 F639 Y650R621-D635 IonicContact CZ-OD2 4Å; R621-D635 IonicContact NH1-OD2 3.94Å; R621-D635 PolarHBondContact NH1-OD2 3.03Å; R621-D635 IonicContact NH2-OD2 3.21Å; R621-D635 PolarHBondContact NH2-OD2 3.42Å; L631-D635 PolarHBondContact O-N 2.76Å; F632-D635 PolarHBondContact O-N 3.05Å; D635-A638 PolarHBondContact O-N 3.2Å; D635-F639 WeakPolarHBondContact O-CB 3.2Å; D635-F639 PolarHBondContact O-N 2.88Å; D635-Y650 WeakPolarHBondContact CA-OH 3.49Å; D635-Y650 PolarHBondContact OD1-OH 3.2Å
636V88.1Confident85.2Confident0 Ų050.4 Ų50.40%025%0.247CC..Hα-helixtrans-61.9-49.6176.6170.10000110.9L591 E592 L614 I618 F632 L633 A638 F639 Q640L591-V636 HydrophobicContact CD1-CG2 4.08Å; L591-V636 HydrophobicContact CD2-CG1 3.99Å; L591-V636 HydrophobicContact CD2-CG2 4.29Å; L591-V636 HydrophobicContact CG-CG1 3.84Å; L591-V636 HydrophobicContact CG-CG2 3.9Å; E592-V636 HydrophobicContact CG-CG1 4.39Å; L614-V636 HydrophobicContact CD2-CG2 4.5Å; I618-V636 HydrophobicContact CD1-CG2 4.04Å; F632-V636 VanDerWaalsContact O-CG2 3.32Å; F632-V636 WeakPolarHBondContact O-CG2 3.34Å; F632-V636 PolarHBondContact O-N 3.42Å; L633-V636 PolarHBondContact O-N 2.99Å; V636-A638 VanDerWaalsContact C-N 3.35Å; V636-A638 PolarHBondContact O-N 2.87Å; V636-F639 PolarHBondContact O-N 3.44Å; V636-F639 VanDerWaalsContact O-N 3.16Å; V636-Q640 HydrophobicContact CG1-CG 4.43Å; V636-Q640 WeakPolarHBondContact O-CG 3.35Å; V636-Q640 PolarHBondContact O-N 3.2Å
637Y89.4Confident85.4Confident40 Ų4047.6 Ų47.616%0.15723%0.234CC..Hα-helixtrans-65.4-35.8178-76.2-14.5000113E592 L633 A634 F639 Q640 G641 K642 E645 L649E592-Y637 HydrophobicContact CG-CE1 3.94Å; L633-Y637 HydrophobicContact CD1-CD1 4.49Å; L633-Y637 HydrophobicContact CD1-CE1 4.09Å; L633-Y637 HydrophobicContact CD1-CE2 4.2Å; L633-Y637 HydrophobicContact CD2-CE2 4.12Å; L633-Y637 HydrophobicContact CG-CD2 4.21Å; L633-Y637 HydrophobicContact CG-CE2 3.9Å; L633-Y637 WeakPolarHBondContact O-CB 3.45Å; L633-Y637 PolarHBondContact O-N 3.21Å; A634-Y637 PolarHBondContact O-N 3.02Å; Y637-F639 VanDerWaalsContact C-N 3.31Å; Y637-F639 PolarHBondContact O-N 3.27Å; Y637-Q640 PolarHBondContact O-N 2.87Å; Y637-G641 PolarHBondContact O-N 3.25Å; Y637-G641 VanDerWaalsContact O-N 3.15Å; Y637-K642 HydrophobicContact CD1-CB 4.35Å; Y637-K642 HydrophobicContact CD1-CD 3.65Å; Y637-K642 HydrophobicContact CE1-CD 3.85Å; Y637-K642 HydrophobicContact CG-CB 4.16Å; Y637-K642 HydrophobicContact CG-CD 4.22Å; Y637-K642 WeakPolarHBondContact O-CA 3.44Å; Y637-K642 PolarHBondContact O-N 2.92Å; Y637-E645 HydrophobicContact CD2-CB 3.86Å; Y637-E645 HydrophobicContact CE2-CB 4.28Å; Y637-L649 HydrophobicContact CD2-CD1 3.72Å; Y637-L649 HydrophobicContact CE2-CD1 3.97Å
638A86.9Confident85.9Confident19 Ų1949 Ų4916%0.15724%0.235CC..Hα-helixtrans-61.6-42.5172.300000110.7A634 D635 V636 G641 F643 A646 Y650 M662A634-A638 VanDerWaalsContact O-CB 3.27Å; A634-A638 WeakPolarHBondContact O-CB 3.32Å; A634-A638 PolarHBondContact O-N 3.36Å; D635-A638 PolarHBondContact O-N 3.2Å; V636-A638 VanDerWaalsContact C-N 3.35Å; V636-A638 PolarHBondContact O-N 2.87Å; A638-G641 PolarHBondContact O-N 2.9Å; A638-F643 WeakPolarHBondContact O-CE1 3.43Å; A638-A646 HydrophobicContact CB-CB 4.02Å; A638-Y650 HydrophobicContact CB-CE2 4.35Å; A638-M662 HydrophobicContact CB-SD 3.75Å
639F86.6Confident85.9Confident91 Ų9147.6 Ų47.640%0.39923%0.227SC..Hα-helixtrans-69.6-35.1179.1-156.1-94.2000113.5R610 Y611 L614 D635 V636 Y637 G641R610-F639 HydrophobicContact CB-CE1 4.19Å; R610-F639 HydrophobicContact CB-CZ 3.89Å; Y611-F639 AromaticContact CD1-CD1 3.9Å; Y611-F639 HydrophobicContact CD1-CD1 3.9Å; Y611-F639 AromaticContact CD1-CE1 3.98Å; Y611-F639 HydrophobicContact CD1-CE1 3.98Å; Y611-F639 HydrophobicContact CD2-CE1 4.28Å; Y611-F639 AromaticContact CE1-CD1 3.54Å; Y611-F639 HydrophobicContact CE1-CD1 3.54Å; Y611-F639 AromaticContact CE1-CE1 3.97Å; Y611-F639 HydrophobicContact CE1-CE1 3.97Å; Y611-F639 HydrophobicContact CE2-CD1 4.47Å; Y611-F639 HydrophobicContact CE2-CE1 4.25Å; Y611-F639 HydrophobicContact CG-CE1 4.15Å; Y611-F639 AromaticContact CZ-CD1 3.86Å; L614-F639 HydrophobicContact CD1-CD2 4.28Å; L614-F639 HydrophobicContact CD2-CB 3.68Å; L614-F639 HydrophobicContact CD2-CD1 3.95Å; L614-F639 HydrophobicContact CD2-CD2 4.14Å; L614-F639 HydrophobicContact CD2-CG 3.67Å; D635-F639 WeakPolarHBondContact O-CB 3.2Å; D635-F639 PolarHBondContact O-N 2.88Å; V636-F639 PolarHBondContact O-N 3.44Å; V636-F639 VanDerWaalsContact O-N 3.16Å; Y637-F639 VanDerWaalsContact C-N 3.31Å; Y637-F639 PolarHBondContact O-N 3.27Å; F639-G641 VanDerWaalsContact C-N 3.27Å; F639-G641 PolarHBondContact O-N 3.13Å
640Q85.8Confident86Confident44 Ų4444 Ų4421%0.20621%0.207CC..Hα-helixtrans-75.5-11.7176.5-71.9-179.9-18.400113.9E592 Y611 V636 Y637E592-Q640 VanDerWaalsContact CG-NE2 3.34Å; E592-Q640 VanDerWaalsContact OE1-CD 3.29Å; E592-Q640 PolarHBondContact OE1-NE2 2.92Å; E592-Q640 PolarHBondContact OE1-OE1 3.29Å; Y611-Q640 HydrophobicContact CE1-CG 4.43Å; V636-Q640 HydrophobicContact CG1-CG 4.43Å; V636-Q640 WeakPolarHBondContact O-CG 3.35Å; V636-Q640 PolarHBondContact O-N 3.2Å; Y637-Q640 PolarHBondContact O-N 2.87Å
641G83.9Confident85.9Confident34 Ų3445.3 Ų45.335%0.35121%0.211SC..THydrogen-bonded Turntrans926.9-176.300000115.6Y637 A638 F639 F643Y637-G641 PolarHBondContact O-N 3.25Å; Y637-G641 VanDerWaalsContact O-N 3.15Å; A638-G641 PolarHBondContact O-N 2.9Å; F639-G641 VanDerWaalsContact C-N 3.27Å; F639-G641 PolarHBondContact O-N 3.13Å; G641-F643 WeakPolarHBondContact O-CD2 3.38Å; G641-F643 WeakPolarHBondContact O-CE2 3.27Å; G641-F643 PolarHBondContact O-N 2.93Å; G641-F643 VanDerWaalsContact O-N 3.08Å
642K86.2Confident85.7Confident76 Ų7654 Ų5433%0.3324%0.244SC..  trans-8456.3176.5-67174.3179.1168.50111.5E592 Y637 R644 E645 A646E592-K642 IonicContact OE1-NZ 2.68Å; E592-K642 PolarHBondContact OE1-NZ 2.85Å; E592-K642 IonicContact OE2-NZ 3.31Å; E592-K642 PolarHBondContact OE2-NZ 3.34Å; Y637-K642 HydrophobicContact CD1-CB 4.35Å; Y637-K642 HydrophobicContact CD1-CD 3.65Å; Y637-K642 HydrophobicContact CE1-CD 3.85Å; Y637-K642 HydrophobicContact CG-CB 4.16Å; Y637-K642 HydrophobicContact CG-CD 4.22Å; Y637-K642 WeakPolarHBondContact O-CA 3.44Å; Y637-K642 PolarHBondContact O-N 2.92Å; K642-R644 PolarHBondContact O-N 3.49Å; K642-E645 PolarHBondContact O-N 2.81Å; K642-A646 PolarHBondContact O-N 2.72Å
643F85.9Confident85.4Confident49 Ų4954.8 Ų54.822%0.21525%0.251CS..Hα-helixtrans-64.8-32.5-165.9-51.1-64.5000115.6A638 G641 A647 M662 Y663 L666 M668A638-F643 WeakPolarHBondContact O-CE1 3.43Å; G641-F643 WeakPolarHBondContact O-CD2 3.38Å; G641-F643 WeakPolarHBondContact O-CE2 3.27Å; G641-F643 PolarHBondContact O-N 2.93Å; G641-F643 VanDerWaalsContact O-N 3.08Å; F643-A647 WeakPolarHBondContact O-CB 3.09Å; F643-A647 PolarHBondContact O-N 2.91Å; F643-M662 HydrophobicContact CB-CE 4.31Å; F643-M662 HydrophobicContact CD1-SD 4.28Å; F643-M662 WeakPolarHBondContact O-CE 3.5Å; F643-Y663 HydrophobicContact CB-CE1 4.36Å; F643-L666 HydrophobicContact CD1-CD1 3.12Å; F643-L666 HydrophobicContact CD1-CG 4.48Å; F643-L666 HydrophobicContact CD2-CD1 4.34Å; F643-L666 HydrophobicContact CE1-CD1 3.1Å; F643-L666 HydrophobicContact CE1-CD2 3.94Å; F643-L666 HydrophobicContact CE1-CG 4.14Å; F643-L666 HydrophobicContact CE2-CD1 4.31Å; F643-L666 HydrophobicContact CG-CD1 3.75Å; F643-L666 HydrophobicContact CZ-CD1 3.7Å; F643-L666 HydrophobicContact CZ-CD2 3.97Å; F643-L666 HydrophobicContact CZ-CG 4.43Å; F643-M668 HydrophobicContact CB-CE 4.05Å; F643-M668 HydrophobicContact CB-SD 4.01Å; F643-M668 HydrophobicContact CD2-CE 3.09Å; F643-M668 HydrophobicContact CD2-SD 4.17Å; F643-M668 HydrophobicContact CE2-CE 3.53Å; F643-M668 HydrophobicContact CG-CE 3.7Å; F643-M668 HydrophobicContact CG-SD 4.29Å; F643-M668 HydrophobicContact CZ-CE 4.45Å
644R84.8Confident85Confident152 Ų15256 Ų5657%0.57427%0.272SS*.Hα-helixtrans-67-37.2176-76.4179.3172.9-179.2-6.7112.5K642 K648 Y671K642-R644 PolarHBondContact O-N 3.49Å; R644-K648 WeakPolarHBondContact O-CG 3.23Å; R644-K648 PolarHBondContact O-N 3.31Å; R644-Y671 PolarHBondContact NE-OH 2.76Å; R644-Y671 PolarHBondContact NH2-OH 3.39Å
645E85.2Confident84.8Confident99 Ų9959.1 Ų59.146%0.46329%0.287SS..Hα-helixtrans-75.6-41.4178.5-64.8177.3167.900110.1Y637 K642 A647 K648 L649Y637-E645 HydrophobicContact CD2-CB 3.86Å; Y637-E645 HydrophobicContact CE2-CB 4.28Å; K642-E645 PolarHBondContact O-N 2.81Å; E645-A647 PolarHBondContact O-N 2.97Å; E645-K648 PolarHBondContact O-N 2.87Å; E645-L649 WeakPolarHBondContact O-CG 3.32Å; E645-L649 PolarHBondContact O-N 2.93Å
646A86.3Confident84.3Confident0 Ų062.9 Ų62.90%030%0.304CS..Hα-helixtrans-56.6-48.4172.100000112.6A634 A638 K642 K648 L649 Y650 M662A634-A646 WeakPolarHBondContact O-CB 3.29Å; A638-A646 HydrophobicContact CB-CB 4.02Å; K642-A646 PolarHBondContact O-N 2.72Å; A646-K648 VanDerWaalsContact C-N 3.35Å; A646-K648 PolarHBondContact O-N 3.47Å; A646-L649 PolarHBondContact O-N 2.84Å; A646-Y650 HydrophobicContact CB-CD2 4.4Å; A646-Y650 HydrophobicContact CB-CE2 4.12Å; A646-Y650 WeakPolarHBondContact O-CD2 3.4Å; A646-Y650 PolarHBondContact O-N 3.28Å; A646-M662 HydrophobicContact CB-CE 4.32Å; A646-M662 HydrophobicContact CB-SD 4.13Å
647A83.2Confident83.7Confident3 Ų367.2 Ų67.23%0.02533%0.334CS..Hα-helixtrans-64-36.1179.400000113.6F643 E645 K651 A659 M662 Y663F643-A647 WeakPolarHBondContact O-CB 3.09Å; F643-A647 PolarHBondContact O-N 2.91Å; E645-A647 PolarHBondContact O-N 2.97Å; A647-K651 WeakPolarHBondContact O-CB 3.25Å; A647-K651 PolarHBondContact O-N 2.75Å; A647-A659 HydrophobicContact CB-CB 4.23Å; A647-M662 HydrophobicContact CB-CE 3.82Å; A647-Y663 HydrophobicContact CB-CE1 4.34Å; A647-Y663 HydrophobicContact CB-CE2 3.44Å; A647-Y663 VanDerWaalsContact CB-CE2 3.44Å; A647-Y663 WeakPolarHBondContact CB-OH 3.23Å
648K85.8Confident83.2Confident141 Ų14168.8 Ų68.861%0.61334%0.342SS*.Hα-helixtrans-64.5-41.7173.7-74.3174.8-177.3178.10111.3R644 E645 A646 K651 R652R644-K648 WeakPolarHBondContact O-CG 3.23Å; R644-K648 PolarHBondContact O-N 3.31Å; E645-K648 PolarHBondContact O-N 2.87Å; A646-K648 VanDerWaalsContact C-N 3.35Å; A646-K648 PolarHBondContact O-N 3.47Å; K648-K651 PolarHBondContact O-N 3.09Å; K648-R652 WeakPolarHBondContact O-CG 3.23Å; K648-R652 PolarHBondContact O-N 2.82Å
649L84.9Confident82.8Confident23 Ų2367.9 Ų67.912%0.1233%0.334CS..Hα-helixtrans-69.2-43.5176.7-68.8173.6000111.7E630 L633 A634 Y637 E645 A646 K651 R652 A653E630-L649 HydrophobicContact CB-CD2 4.43Å; L633-L649 HydrophobicContact CB-CD1 4.13Å; L633-L649 HydrophobicContact CD2-CD1 3.94Å; L633-L649 HydrophobicContact CG-CD1 3.86Å; A634-L649 HydrophobicContact CB-CB 3.66Å; Y637-L649 HydrophobicContact CD2-CD1 3.72Å; Y637-L649 HydrophobicContact CE2-CD1 3.97Å; E645-L649 WeakPolarHBondContact O-CG 3.32Å; E645-L649 PolarHBondContact O-N 2.93Å; A646-L649 PolarHBondContact O-N 2.84Å; L649-K651 VanDerWaalsContact C-N 3.27Å; L649-K651 PolarHBondContact O-N 2.87Å; L649-R652 PolarHBondContact O-N 3Å; L649-R652 VanDerWaalsContact O-N 3.13Å; L649-A653 WeakPolarHBondContact O-CB 3.33Å; L649-A653 PolarHBondContact O-N 2.83Å
650Y85.5Confident82.4Confident15 Ų1566.3 Ų66.36%0.05933%0.33CS..Hα-helixtrans-57.8-39172.8-75.5-53.2000112.5L631 A634 D635 A638 A646 A653 G654 H655 K658 A659 M662L631-Y650 HydrophobicContact CD1-CD1 3.62Å; L631-Y650 HydrophobicContact CD1-CE1 3.64Å; A634-Y650 HydrophobicContact CB-CD1 3.67Å; A634-Y650 HydrophobicContact CB-CD2 4.08Å; A634-Y650 HydrophobicContact CB-CE1 3.61Å; A634-Y650 HydrophobicContact CB-CE2 4.02Å; A634-Y650 HydrophobicContact CB-CG 3.89Å; D635-Y650 WeakPolarHBondContact CA-OH 3.49Å; D635-Y650 PolarHBondContact OD1-OH 3.2Å; A638-Y650 HydrophobicContact CB-CE2 4.35Å; A646-Y650 HydrophobicContact CB-CD2 4.4Å; A646-Y650 HydrophobicContact CB-CE2 4.12Å; A646-Y650 WeakPolarHBondContact O-CD2 3.4Å; A646-Y650 PolarHBondContact O-N 3.28Å; Y650-A653 CarbonylContact O-C 3.59Å; Y650-A653 PolarHBondContact O-N 2.93Å; Y650-G654 PolarHBondContact O-N 3.29Å; Y650-H655 PolarHBondContact O-N 3.26Å; Y650-K658 HydrophobicContact CD1-CB 4.36Å; Y650-K658 HydrophobicContact CE1-CB 4.5Å; Y650-K658 HydrophobicContact CE1-CD 4.38Å; Y650-A659 HydrophobicContact CD2-CB 4.4Å; Y650-M662 HydrophobicContact CD2-CE 4.41Å; Y650-M662 HydrophobicContact CD2-SD 4.31Å; Y650-M662 HydrophobicContact CE2-CE 4.41Å; Y650-M662 HydrophobicContact CE2-SD 3.74Å
651K81.9Confident82.1Confident111 Ų11166.6 Ų66.648%0.48334%0.337SS..Hα-helixtrans-66.6-41.8175.5-176.5167.5-174.7163.70112.2A647 K648 L649 A653 G654 E656 F675A647-K651 WeakPolarHBondContact O-CB 3.25Å; A647-K651 PolarHBondContact O-N 2.75Å; K648-K651 PolarHBondContact O-N 3.09Å; L649-K651 VanDerWaalsContact C-N 3.27Å; L649-K651 PolarHBondContact O-N 2.87Å; K651-A653 VanDerWaalsContact C-N 3.33Å; K651-G654 PolarHBondContact O-N 2.88Å; K651-G654 VanDerWaalsContact O-N 3.14Å; K651-E656 VanDerWaalsContact CE-OE1 3.3Å; K651-E656 WeakPolarHBondContact CE-OE1 3.2Å; K651-E656 HydrophobicContact CG-CG 4.27Å; K651-E656 IonicContact NZ-OE1 3.53Å; K651-F675 HydrophobicContact CD-CE2 4.08Å; K651-F675 HydrophobicContact CD-CZ 4.44Å
652R81.7Confident82.1Confident182 Ų18265.9 Ų65.969%0.68732%0.324SS*.Hα-helixtrans-66.4-35.4175.9-72.8176.2178.9-176.8-0.6112.5E630 K648 L649 G654E630-R652 WeakPolarHBondContact OE2-CB 3.2Å; K648-R652 WeakPolarHBondContact O-CG 3.23Å; K648-R652 PolarHBondContact O-N 2.82Å; L649-R652 PolarHBondContact O-N 3Å; L649-R652 VanDerWaalsContact O-N 3.13Å; R652-G654 PolarHBondContact O-N 3.03Å
653A81.4Confident81.9Confident18 Ų1862.9 Ų62.915%0.14931%0.311CS..THydrogen-bonded Turntrans-76.61.7172.200000114D628 L631 L649 Y650 K651 H655D628-A653 WeakPolarHBondContact OD2-CB 3.11Å; L631-A653 HydrophobicContact CB-CB 4.24Å; L649-A653 WeakPolarHBondContact O-CB 3.33Å; L649-A653 PolarHBondContact O-N 2.83Å; Y650-A653 CarbonylContact O-C 3.59Å; Y650-A653 PolarHBondContact O-N 2.93Å; K651-A653 VanDerWaalsContact C-N 3.33Å; A653-H655 PolarHBondContact O-CD2 2.88Å; A653-H655 VanDerWaalsContact O-CD2 3.3Å; A653-H655 PolarHBondContact O-N 2.89Å
654G79.2Confident81.4Confident62 Ų6262.7 Ų62.764%0.63931%0.314SS*.THydrogen-bonded Turntrans75.914.3176.700000116Y650 K651 R652Y650-G654 PolarHBondContact O-N 3.29Å; K651-G654 PolarHBondContact O-N 2.88Å; K651-G654 VanDerWaalsContact O-N 3.14Å; R652-G654 PolarHBondContact O-N 3.03Å
655H81Confident81.1Confident64 Ų6461.3 Ų61.330%0.29632%0.318SS..  trans-107.657.7-177.6-70.9-67.3000112.9Y650 A653 S657 K658 A659Y650-H655 PolarHBondContact O-N 3.26Å; A653-H655 PolarHBondContact O-CD2 2.88Å; A653-H655 VanDerWaalsContact O-CD2 3.3Å; A653-H655 PolarHBondContact O-N 2.89Å; H655-S657 VanDerWaalsContact C-N 3.28Å; H655-S657 PolarHBondContact O-N 3.45Å; H655-K658 HydrophobicContact CB-CB 4.3Å; H655-K658 HydrophobicContact CB-CD 4.16Å; H655-K658 HydrophobicContact CB-CG 4.34Å; H655-K658 PolarHBondContact O-N 3.46Å; H655-K658 VanDerWaalsContact O-N 3.14Å; H655-A659 PolarHBondContact O-N 3.29Å
656E76.6Confident80.7Confident97 Ų9759.9 Ų59.945%0.45331%0.313SS..Hα-helixtrans-63-30.8-177.9-64.1-170.6158.100113.5K651 K658 A659 L660 F675K651-E656 VanDerWaalsContact CE-OE1 3.3Å; K651-E656 WeakPolarHBondContact CE-OE1 3.2Å; K651-E656 HydrophobicContact CG-CG 4.27Å; K651-E656 IonicContact NZ-OE1 3.53Å; E656-K658 VanDerWaalsContact C-N 3.34Å; E656-K658 PolarHBondContact O-N 2.87Å; E656-A659 PolarHBondContact O-N 2.84Å; E656-L660 PolarHBondContact O-N 3Å; E656-F675 HydrophobicContact CB-CE1 3.97Å; E656-F675 HydrophobicContact CB-CZ 4.04Å; E656-F675 HydrophobicContact CG-CE1 4.46Å; E656-F675 HydrophobicContact CG-CZ 4.13Å
657S75.9Confident79.9Confident91 Ų9165.8 Ų65.864%0.63634%0.335SS*.Hα-helixtrans-65.2-34.8175.357.80000112.9H655 L660 S661H655-S657 VanDerWaalsContact C-N 3.28Å; H655-S657 PolarHBondContact O-N 3.45Å; S657-L660 PolarHBondContact O-N 3.15Å; S657-S661 WeakPolarHBondContact O-CB 3.1Å; S657-S661 PolarHBondContact O-N 2.93Å; S657-S661 PolarHBondContact O-OG 2.89Å
658K78.9Confident79.6Confident73 Ų7367.8 Ų67.832%0.31735%0.345SS..Hα-helixtrans-70.6-37.2174.6-71.9-174.2178.9174.30111.6Y650 H655 E656 S661 M662Y650-K658 HydrophobicContact CD1-CB 4.36Å; Y650-K658 HydrophobicContact CE1-CB 4.5Å; Y650-K658 HydrophobicContact CE1-CD 4.38Å; H655-K658 HydrophobicContact CB-CB 4.3Å; H655-K658 HydrophobicContact CB-CD 4.16Å; H655-K658 HydrophobicContact CB-CG 4.34Å; H655-K658 PolarHBondContact O-N 3.46Å; H655-K658 VanDerWaalsContact O-N 3.14Å; E656-K658 VanDerWaalsContact C-N 3.34Å; E656-K658 PolarHBondContact O-N 2.87Å; K658-S661 WeakPolarHBondContact CA-OG 3.17Å; K658-S661 PolarHBondContact O-OG 3.28Å; K658-S661 VanDerWaalsContact O-OG 3.07Å; K658-M662 WeakPolarHBondContact O-CB 3.38Å; K658-M662 PolarHBondContact O-N 2.77Å
659A78.7Confident78.9Confident0 Ų061.9 Ų61.90%032%0.319CS..Hα-helixtrans-65.5-41.3173.800000111.4A647 Y650 H655 E656 Y663 F675A647-A659 HydrophobicContact CB-CB 4.23Å; Y650-A659 HydrophobicContact CD2-CB 4.4Å; H655-A659 PolarHBondContact O-N 3.29Å; E656-A659 PolarHBondContact O-N 2.84Å; A659-Y663 VanDerWaalsContact O-CD2 3.28Å; A659-Y663 WeakPolarHBondContact O-CD2 3.35Å; A659-Y663 PolarHBondContact O-N 2.96Å; A659-F675 HydrophobicContact CB-CE1 4.23Å; A659-F675 HydrophobicContact CB-CE2 4.33Å; A659-F675 HydrophobicContact CB-CZ 3.8Å
660L76.7Confident78.2Confident59 Ų5968 Ų6831%0.30935%0.347SS..Hα-helixtrans-65.9-47.8176.7-163.489.3000111.7E656 S657 M662 Y663 T664 F675 V676E656-L660 PolarHBondContact O-N 3Å; S657-L660 PolarHBondContact O-N 3.15Å; L660-M662 VanDerWaalsContact C-N 3.33Å; L660-M662 PolarHBondContact O-N 3.37Å; L660-Y663 PolarHBondContact O-N 3.24Å; L660-T664 WeakPolarHBondContact O-CG2 3.25Å; L660-T664 PolarHBondContact O-N 3.07Å; L660-T664 PolarHBondContact O-OG1 3.19Å; L660-T664 VanDerWaalsContact O-OG1 3.12Å; L660-F675 HydrophobicContact CD1-CD1 3.97Å; L660-V676 HydrophobicContact CD1-CG2 3.2Å; L660-V676 HydrophobicContact CG-CG2 4.47Å
661S80.3Confident77.5Confident50 Ų5070.9 Ų70.935%0.3536%0.358SS..Hα-helixtrans-62.1-43.7177.369.10000110.8S657 K658 Y663 T664 D665S657-S661 WeakPolarHBondContact O-CB 3.1Å; S657-S661 PolarHBondContact O-N 2.93Å; S657-S661 PolarHBondContact O-OG 2.89Å; K658-S661 WeakPolarHBondContact CA-OG 3.17Å; K658-S661 PolarHBondContact O-OG 3.28Å; K658-S661 VanDerWaalsContact O-OG 3.07Å; S661-Y663 PolarHBondContact O-N 2.78Å; S661-T664 WeakPolarHBondContact CA-OG1 3.31Å; S661-T664 PolarHBondContact O-N 2.63Å; S661-T664 PolarHBondContact O-OG1 3.34Å; S661-D665 WeakPolarHBondContact O-CB 3.46Å; S661-D665 PolarHBondContact O-N 3.32Å
662M83.3Confident77Confident18 Ų1865.7 Ų65.79%0.08934%0.336CS..Hα-helixtrans-55.3-50.3173.9177.2-171.874.700110.6A638 F643 A646 A647 Y650 K658 L660 D665 L666A638-M662 HydrophobicContact CB-SD 3.75Å; F643-M662 HydrophobicContact CB-CE 4.31Å; F643-M662 HydrophobicContact CD1-SD 4.28Å; F643-M662 WeakPolarHBondContact O-CE 3.5Å; A646-M662 HydrophobicContact CB-CE 4.32Å; A646-M662 HydrophobicContact CB-SD 4.13Å; A647-M662 HydrophobicContact CB-CE 3.82Å; Y650-M662 HydrophobicContact CD2-CE 4.41Å; Y650-M662 HydrophobicContact CD2-SD 4.31Å; Y650-M662 HydrophobicContact CE2-CE 4.41Å; Y650-M662 HydrophobicContact CE2-SD 3.74Å; K658-M662 WeakPolarHBondContact O-CB 3.38Å; K658-M662 PolarHBondContact O-N 2.77Å; L660-M662 VanDerWaalsContact C-N 3.33Å; L660-M662 PolarHBondContact O-N 3.37Å; M662-D665 PolarHBondContact O-N 2.8Å; M662-L666 HydrophobicContact CG-CD1 3.41Å; M662-L666 VanDerWaalsContact CG-CD1 3.41Å; M662-L666 HydrophobicContact CG-CG 4.27Å; M662-L666 WeakPolarHBondContact O-CB 3.47Å; M662-L666 WeakPolarHBondContact O-CD1 3.48Å; M662-L666 WeakPolarHBondContact O-CG 3.28Å; M662-L666 PolarHBondContact O-N 3.24Å; M662-L666 HydrophobicContact SD-CD1 4.3Å
663Y82.6Confident76.4Confident14 Ų1462 Ų626%0.05533%0.325CS..Hα-helixtrans-66.2-37.6178.6-75.1-43.9000113.4F643 A647 A659 L660 S661 R667 M668F643-Y663 HydrophobicContact CB-CE1 4.36Å; A647-Y663 HydrophobicContact CB-CE1 4.34Å; A647-Y663 HydrophobicContact CB-CE2 3.44Å; A647-Y663 VanDerWaalsContact CB-CE2 3.44Å; A647-Y663 WeakPolarHBondContact CB-OH 3.23Å; A659-Y663 VanDerWaalsContact O-CD2 3.28Å; A659-Y663 WeakPolarHBondContact O-CD2 3.35Å; A659-Y663 PolarHBondContact O-N 2.96Å; L660-Y663 PolarHBondContact O-N 3.24Å; S661-Y663 PolarHBondContact O-N 2.78Å; Y663-R667 CarbonylContact O-C 3.6Å; Y663-R667 PolarHBondContact O-N 3.45Å; Y663-M668 HydrophobicContact CD1-CB 3.61Å; Y663-M668 HydrophobicContact CD1-CG 4.15Å; Y663-M668 HydrophobicContact CD1-SD 3.65Å; Y663-M668 HydrophobicContact CE1-CB 4.42Å; Y663-M668 HydrophobicContact CE1-SD 3.79Å; Y663-M668 HydrophobicContact CG-CB 4.22Å; Y663-M668 PolarHBondContact O-N 2.86Å
664T75.9Confident75.9Confident45 Ų4568.8 Ų68.828%0.27635%0.353SS..Hα-helixtrans-70.3-40.7177.153.70000112.2L660 S661 R667L660-T664 WeakPolarHBondContact O-CG2 3.25Å; L660-T664 PolarHBondContact O-N 3.07Å; L660-T664 PolarHBondContact O-OG1 3.19Å; L660-T664 VanDerWaalsContact O-OG1 3.12Å; S661-T664 WeakPolarHBondContact CA-OG1 3.31Å; S661-T664 PolarHBondContact O-N 2.63Å; S661-T664 PolarHBondContact O-OG1 3.34Å; T664-R667 PolarHBondContact O-N 2.95Å
665D77.9Confident75.4Confident123 Ų12368.4 Ų68.466%0.65833%0.334SS*.Hα-helixtrans-70.8-40.2-179.3-65.7-14.6000110.9S661 M662 R667S661-D665 WeakPolarHBondContact O-CB 3.46Å; S661-D665 PolarHBondContact O-N 3.32Å; M662-D665 PolarHBondContact O-N 2.8Å; D665-R667 PolarHBondContact O-N 2.74Å
666L76.8Confident74.6Confident69 Ų6969 Ų6936%0.36134%0.343SS..THydrogen-bonded Turntrans-83.35.4174.1-61.7172.1000113.9F643 M662 M668F643-L666 HydrophobicContact CD1-CD1 3.12Å; F643-L666 HydrophobicContact CD1-CG 4.48Å; F643-L666 HydrophobicContact CD2-CD1 4.34Å; F643-L666 HydrophobicContact CE1-CD1 3.1Å; F643-L666 HydrophobicContact CE1-CD2 3.94Å; F643-L666 HydrophobicContact CE1-CG 4.14Å; F643-L666 HydrophobicContact CE2-CD1 4.31Å; F643-L666 HydrophobicContact CG-CD1 3.75Å; F643-L666 HydrophobicContact CZ-CD1 3.7Å; F643-L666 HydrophobicContact CZ-CD2 3.97Å; F643-L666 HydrophobicContact CZ-CG 4.43Å; M662-L666 HydrophobicContact CG-CD1 3.41Å; M662-L666 VanDerWaalsContact CG-CD1 3.41Å; M662-L666 HydrophobicContact CG-CG 4.27Å; M662-L666 WeakPolarHBondContact O-CB 3.47Å; M662-L666 WeakPolarHBondContact O-CD1 3.48Å; M662-L666 WeakPolarHBondContact O-CG 3.28Å; M662-L666 PolarHBondContact O-N 3.24Å; M662-L666 HydrophobicContact SD-CD1 4.3Å; L666-M668 HydrophobicContact CB-CE 4.2Å; L666-M668 HydrophobicContact CB-CG 4.46Å; L666-M668 PolarHBondContact O-N 2.77Å
667R70.7Confident73.8Confident124 Ų12466.7 Ų66.747%0.46834%0.344SS..THydrogen-bonded Turntrans73.625.1166.1-51.6-171170.2-162.87.2116Y663 T664 D665 F669 W694 C697 S698Y663-R667 CarbonylContact O-C 3.6Å; Y663-R667 PolarHBondContact O-N 3.45Å; T664-R667 PolarHBondContact O-N 2.95Å; D665-R667 PolarHBondContact O-N 2.74Å; R667-F669 HydrophobicContact CB-CE2 4.32Å; R667-F669 WeakPolarHBondContact O-CD2 3.34Å; R667-F669 PolarHBondContact O-N 3.3Å; R667-W694 HydrophobicContact CB-CZ2 3.71Å; R667-W694 WeakPolarHBondContact O-CZ2 3.22Å; R667-C697 PolarHBondContact NH1-O 3.36Å; R667-S698 WeakPolarHBondContact CD-OG 3.42Å; R667-S698 PolarHBondContact NH1-OG 3.22Å
668M76.2Confident72.7Confident45 Ų4567.5 Ų67.522%0.22236%0.357CS..  trans-95.961.2-176.3-66.8-170.1-168.700111.8F643 Y663 L666 E670 Y671 A672F643-M668 HydrophobicContact CB-CE 4.05Å; F643-M668 HydrophobicContact CB-SD 4.01Å; F643-M668 HydrophobicContact CD2-CE 3.09Å; F643-M668 HydrophobicContact CD2-SD 4.17Å; F643-M668 HydrophobicContact CE2-CE 3.53Å; F643-M668 HydrophobicContact CG-CE 3.7Å; F643-M668 HydrophobicContact CG-SD 4.29Å; F643-M668 HydrophobicContact CZ-CE 4.45Å; Y663-M668 HydrophobicContact CD1-CB 3.61Å; Y663-M668 HydrophobicContact CD1-CG 4.15Å; Y663-M668 HydrophobicContact CD1-SD 3.65Å; Y663-M668 HydrophobicContact CE1-CB 4.42Å; Y663-M668 HydrophobicContact CE1-SD 3.79Å; Y663-M668 HydrophobicContact CG-CB 4.22Å; Y663-M668 PolarHBondContact O-N 2.86Å; L666-M668 HydrophobicContact CB-CE 4.2Å; L666-M668 HydrophobicContact CB-CG 4.46Å; L666-M668 PolarHBondContact O-N 2.77Å; M668-E670 VanDerWaalsContact C-N 3.34Å; M668-E670 PolarHBondContact O-N 2.86Å; M668-Y671 HydrophobicContact CB-CD2 3.98Å; M668-Y671 HydrophobicContact CG-CD2 4.4Å; M668-Y671 PolarHBondContact O-N 2.86Å; M668-Y671 HydrophobicContact SD-CD2 4.42Å; M668-A672 WeakPolarHBondContact O-CB 3.34Å; M668-A672 PolarHBondContact O-N 2.67Å
669F71.3Confident71.3Confident17 Ų1770.8 Ų70.88%0.07538%0.383CS..Hα-helixtrans-66.2-29.2-171.2-70.6-88.7000114.8R667 A672 K673 W694R667-F669 HydrophobicContact CB-CE2 4.32Å; R667-F669 WeakPolarHBondContact O-CD2 3.34Å; R667-F669 PolarHBondContact O-N 3.3Å; F669-A672 PolarHBondContact O-N 3.36Å; F669-K673 WeakPolarHBondContact O-CB 3.34Å; F669-K673 VanDerWaalsContact O-CG 3.27Å; F669-K673 WeakPolarHBondContact O-CG 3.34Å; F669-K673 PolarHBondContact O-N 2.78Å; F669-W694 AromaticContact CD2-CD2 3.45Å; F669-W694 HydrophobicContact CD2-CD2 3.45Å; F669-W694 VanDerWaalsContact CD2-CD2 3.45Å; F669-W694 AromaticContact CD2-CE2 3.45Å; F669-W694 VanDerWaalsContact CD2-CE2 3.45Å; F669-W694 AromaticContact CD2-CE3 3.67Å; F669-W694 HydrophobicContact CD2-CE3 3.67Å; F669-W694 HydrophobicContact CD2-CG 4.02Å; F669-W694 AromaticContact CD2-CH2 3.93Å; F669-W694 HydrophobicContact CD2-CH2 3.93Å; F669-W694 AromaticContact CD2-CZ2 3.72Å; F669-W694 HydrophobicContact CD2-CZ2 3.72Å; F669-W694 AromaticContact CD2-CZ3 3.91Å; F669-W694 HydrophobicContact CD2-CZ3 3.91Å; F669-W694 AromaticContact CD2-NE1 3.99Å; F669-W694 HydrophobicContact CE1-CB 4.37Å; F669-W694 HydrophobicContact CE1-CG 4.33Å; F669-W694 HydrophobicContact CE2-CB 3.99Å; F669-W694 AromaticContact CE2-CD1 3.23Å; F669-W694 AromaticContact CE2-CD2 3.05Å; F669-W694 HydrophobicContact CE2-CD2 3.05Å; F669-W694 AromaticContact CE2-CE2 3.09Å; F669-W694 AromaticContact CE2-CE3 3.75Å; F669-W694 HydrophobicContact CE2-CE3 3.75Å; F669-W694 AromaticContact CE2-CG 3.14Å; F669-W694 HydrophobicContact CE2-CG 3.14Å; F669-W694 HydrophobicContact CE2-CH2 4.4Å; F669-W694 AromaticContact CE2-CZ2 3.82Å; F669-W694 HydrophobicContact CE2-CZ2 3.82Å; F669-W694 HydrophobicContact CE2-CZ3 4.37Å; F669-W694 AromaticContact CE2-NE1 3.16Å; F669-W694 HydrophobicContact CG-CD2 4.45Å; F669-W694 HydrophobicContact CG-CE3 4.39Å; F669-W694 HydrophobicContact CZ-CB 3.64Å; F669-W694 AromaticContact CZ-CD1 3.5Å; F669-W694 AromaticContact CZ-CD2 3.69Å; F669-W694 HydrophobicContact CZ-CD2 3.69Å; F669-W694 HydrophobicContact CZ-CE3 4.4Å; F669-W694 AromaticContact CZ-CG 3.29Å; F669-W694 HydrophobicContact CZ-CG 3.29Å; F669-W694 AromaticContact CZ-NE1 3.94Å
670E70Confident70.3Confident150 Ų15075 Ų7570%0.70141%0.405SS*.Hα-helixtrans-68.1-49.2174.7-66.3-174160.100110.9M668 A672 K673 E674M668-E670 VanDerWaalsContact C-N 3.34Å; M668-E670 PolarHBondContact O-N 2.86Å; E670-A672 VanDerWaalsContact C-N 3.27Å; E670-A672 PolarHBondContact O-N 2.9Å; E670-K673 PolarHBondContact O-N 3.42Å; E670-K673 VanDerWaalsContact O-N 3.15Å; E670-E674 WeakPolarHBondContact O-CG 3.35Å; E670-E674 PolarHBondContact O-N 3.21Å
671Y71.4Confident69.4Low77 Ų7777.1 Ų77.130%0.30242%0.423SS..Hα-helixtrans-62.5-34.7173.6-60.8-72.6000111.9R644 M668 F675R644-Y671 PolarHBondContact NE-OH 2.76Å; R644-Y671 PolarHBondContact NH2-OH 3.39Å; M668-Y671 HydrophobicContact CB-CD2 3.98Å; M668-Y671 HydrophobicContact CG-CD2 4.4Å; M668-Y671 PolarHBondContact O-N 2.86Å; M668-Y671 HydrophobicContact SD-CD2 4.42Å; Y671-F675 WeakPolarHBondContact O-CB 3.4Å; Y671-F675 PolarHBondContact O-N 2.68Å
672A70.3Confident68.3Low2 Ų282.6 Ų82.62%0.01744%0.443CS..Hα-helixtrans-68.1-38.4173.600000112.7M668 F669 E670 F675 V676M668-A672 WeakPolarHBondContact O-CB 3.34Å; M668-A672 PolarHBondContact O-N 2.67Å; F669-A672 PolarHBondContact O-N 3.36Å; E670-A672 VanDerWaalsContact C-N 3.27Å; E670-A672 PolarHBondContact O-N 2.9Å; A672-F675 PolarHBondContact O-N 3.36Å; A672-V676 VanDerWaalsContact O-CG2 3.28Å; A672-V676 WeakPolarHBondContact O-CG2 3.21Å; A672-V676 PolarHBondContact O-N 2.94Å
673K69.5Low67Low103 Ų10384.2 Ų84.245%0.44846%0.456SS..Hα-helixtrans-67.4-42.9174.8-80.8175.8-178.3176.20111.9F669 E670 F675 V676F669-K673 WeakPolarHBondContact O-CB 3.34Å; F669-K673 VanDerWaalsContact O-CG 3.27Å; F669-K673 WeakPolarHBondContact O-CG 3.34Å; F669-K673 PolarHBondContact O-N 2.78Å; E670-K673 PolarHBondContact O-N 3.42Å; E670-K673 VanDerWaalsContact O-N 3.15Å; K673-F675 PolarHBondContact O-N 3.2Å; K673-V676 PolarHBondContact O-N 3.41Å
674E70.1Confident66Low161 Ų16186.2 Ų86.275%0.75247%0.472SS*.Hα-helixtrans-63.7-29.8173.1-73.4-175.6165.300112.3E670E670-E674 WeakPolarHBondContact O-CG 3.35Å; E670-E674 PolarHBondContact O-N 3.21Å
675F69.1Low65.3Low54 Ų5491.8 Ų91.824%0.23749%0.493CS..Hα-helixtrans-79.2-27.1179.6-164.9-95.9000114.1K651 E656 A659 L660 Y671 A672 K673K651-F675 HydrophobicContact CD-CE2 4.08Å; K651-F675 HydrophobicContact CD-CZ 4.44Å; E656-F675 HydrophobicContact CB-CE1 3.97Å; E656-F675 HydrophobicContact CB-CZ 4.04Å; E656-F675 HydrophobicContact CG-CE1 4.46Å; E656-F675 HydrophobicContact CG-CZ 4.13Å; A659-F675 HydrophobicContact CB-CE1 4.23Å; A659-F675 HydrophobicContact CB-CE2 4.33Å; A659-F675 HydrophobicContact CB-CZ 3.8Å; L660-F675 HydrophobicContact CD1-CD1 3.97Å; Y671-F675 WeakPolarHBondContact O-CB 3.4Å; Y671-F675 PolarHBondContact O-N 2.68Å; A672-F675 PolarHBondContact O-N 3.36Å; K673-F675 PolarHBondContact O-N 3.2Å
676V65.2Low64.7Low78 Ų7890.7 Ų90.747%0.47349%0.486SS..Hα-helixtrans-94.4-34.6-172.5172.90000115.5L660 A672 K673L660-V676 HydrophobicContact CD1-CG2 3.2Å; L660-V676 HydrophobicContact CG-CG2 4.47Å; A672-V676 VanDerWaalsContact O-CG2 3.28Å; A672-V676 WeakPolarHBondContact O-CG2 3.21Å; A672-V676 PolarHBondContact O-N 2.94Å; K673-V676 PolarHBondContact O-N 3.41Å
677G59.6Low64.2Low47 Ų4789.7 Ų89.749%0.48548%0.481SS..  trans72.8152.4-176.900000115.3T679G677-T679 PolarHBondContact O-N 3.37Å; G677-T679 VanDerWaalsContact O-N 3.14Å
678A52.7Low64.1Low109 Ų10987.2 Ų87.290%0.90148%0.476SS*.SBendtrans-81.219.4-155.100000119.1
679T49.1Very low63.7Low141 Ų14187.8 Ų87.887%0.86548%0.482SS*.  trans-103.510-161.241.20000118.3G677G677-T679 PolarHBondContact O-N 3.37Å; G677-T679 VanDerWaalsContact O-N 3.14Å
680D56.9Low63.6Low88 Ų8893 Ų9347%0.47151%0.505SS..  trans-135.6109.9-177.3-167.58.6000115.9S683 S684D680-S683 WeakPolarHBondContact OD2-CB 3.41Å; D680-S683 PolarHBondContact OD2-OG 3.38Å; D680-S684 PolarHBondContact O-N 2.91Å; D680-S684 VanDerWaalsContact O-N 3.13Å
681P57.7Low63.4Low105 Ų10587.5 Ų87.568%0.68248%0.479SS*.Hα-helixtrans-71.6-30.5-173.5-17.830000115.9S684 K685P681-S684 PolarHBondContact O-N 3.26Å; P681-K685 PolarHBondContact O-N 3.34Å; P681-K685 VanDerWaalsContact O-N 3.1Å
682Q57.3Low63.1Low164 Ų16483.9 Ų83.977%0.76647%0.466SS*.Hα-helixtrans-73.8-42.3178.3-75.1-169.6-9.300110.7S684 K685 L686Q682-S684 PolarHBondContact O-N 2.9Å; Q682-K685 PolarHBondContact O-N 3.03Å; Q682-L686 WeakPolarHBondContact O-CB 3.48Å; Q682-L686 PolarHBondContact O-N 3.4Å; Q682-L686 VanDerWaalsContact O-N 3.12Å
683S57.4Low63.1Low52 Ų5287.6 Ų87.636%0.36449%0.485SS..Hα-helixtrans-57.2-34.8169-620000111.7D680 L687D680-S683 WeakPolarHBondContact OD2-CB 3.41Å; D680-S683 PolarHBondContact OD2-OG 3.38Å; S683-L687 WeakPolarHBondContact O-CB 3.47Å; S683-L687 PolarHBondContact O-N 2.9Å
684S60.1Low62.9Low57 Ų5784.8 Ų84.840%0.39947%0.472SS..Hα-helixtrans-72.5-41.1177.5-170.30000114.4D680 P681 Q682 L687 I688D680-S684 PolarHBondContact O-N 2.91Å; D680-S684 VanDerWaalsContact O-N 3.13Å; P681-S684 PolarHBondContact O-N 3.26Å; Q682-S684 PolarHBondContact O-N 2.9Å; S684-L687 CarbonylContact O-C 3.56Å; S684-L687 PolarHBondContact O-N 3.38Å; S684-I688 VanDerWaalsContact O-CG1 3.23Å; S684-I688 WeakPolarHBondContact O-CG1 3.45Å; S684-I688 PolarHBondContact O-N 3Å
685K61.6Low62.6Low161 Ų16177.2 Ų77.270%0.744%0.437SS*.Hα-helixtrans-69.6-37.2176.6-169.2177.1-178.9179.70111.1P681 Q682 I688 T689P681-K685 PolarHBondContact O-N 3.34Å; P681-K685 VanDerWaalsContact O-N 3.1Å; Q682-K685 PolarHBondContact O-N 3.03Å; K685-I688 PolarHBondContact O-N 2.9Å; K685-T689 PolarHBondContact O-N 3.49Å; K685-T689 PolarHBondContact O-OG1 2.87Å
686L66.3Low62.3Low100 Ų10078.1 Ų78.152%0.52444%0.44SS..Hα-helixtrans-68.4-37.6172.2-158.888.2000111.4Q682 K690Q682-L686 WeakPolarHBondContact O-CB 3.48Å; Q682-L686 PolarHBondContact O-N 3.4Å; Q682-L686 VanDerWaalsContact O-N 3.12Å; L686-K690 HydrophobicContact CD2-CD 4.47Å; L686-K690 HydrophobicContact CG-CD 4.49Å; L686-K690 WeakPolarHBondContact O-CB 3.33Å; L686-K690 VanDerWaalsContact O-CG 3.3Å; L686-K690 WeakPolarHBondContact O-CG 3.29Å; L686-K690 PolarHBondContact O-N 3.37Å
687L66.3Low61.9Low48 Ų4878.4 Ų78.425%0.25145%0.445SS..Hα-helixtrans-63.3-39.2169.4-100.1152000111.2S683 S684 K690 Q691S683-L687 WeakPolarHBondContact O-CB 3.47Å; S683-L687 PolarHBondContact O-N 2.9Å; S684-L687 CarbonylContact O-C 3.56Å; S684-L687 PolarHBondContact O-N 3.38Å; L687-K690 CarbonylContact O-C 3.59Å; L687-Q691 VanDerWaalsContact O-CA 3.28Å; L687-Q691 WeakPolarHBondContact O-CA 3.46Å; L687-Q691 WeakPolarHBondContact O-CB 3.46Å; L687-Q691 PolarHBondContact O-N 2.93Å
688I68.4Low61.8Low72 Ų7277.4 Ų77.437%0.36943%0.43SS..Hα-helixtrans-73.3-37.1179.2-69.6161.8000111.9S684 K685 Q691 A692 M707S684-I688 VanDerWaalsContact O-CG1 3.23Å; S684-I688 WeakPolarHBondContact O-CG1 3.45Å; S684-I688 PolarHBondContact O-N 3Å; K685-I688 PolarHBondContact O-N 2.9Å; I688-Q691 CarbonylContact O-C 3.56Å; I688-Q691 PolarHBondContact O-N 2.78Å; I688-A692 WeakPolarHBondContact O-CB 3.23Å; I688-A692 PolarHBondContact O-N 3Å; I688-M707 HydrophobicContact CG2-CE 4.23Å
689T68.4Low61.7Low57 Ų5780.7 Ų80.735%0.3542%0.424SS..Hα-helixtrans-73.2-41.7172.8250000111.4K685 Q691 A692 D693K685-T689 PolarHBondContact O-N 3.49Å; K685-T689 PolarHBondContact O-OG1 2.87Å; T689-Q691 VanDerWaalsContact C-N 3.29Å; T689-Q691 PolarHBondContact O-N 3.12Å; T689-A692 CarbonylContact O-C 3.46Å; T689-A692 PolarHBondContact O-N 3.32Å; T689-A692 VanDerWaalsContact O-N 3.15Å; T689-D693 VanDerWaalsContact O-CB 3.31Å; T689-D693 WeakPolarHBondContact O-CB 3.31Å; T689-D693 PolarHBondContact O-N 3.28Å
690K67.5Low62.7Low128 Ų12879 Ų7956%0.55741%0.407SS*.Hα-helixtrans-67.5-28.8170.5-73.5-173.9175.6-174.10112.4L686 L687 W694L686-K690 HydrophobicContact CD2-CD 4.47Å; L686-K690 HydrophobicContact CG-CD 4.49Å; L686-K690 WeakPolarHBondContact O-CB 3.33Å; L686-K690 VanDerWaalsContact O-CG 3.3Å; L686-K690 WeakPolarHBondContact O-CG 3.29Å; L686-K690 PolarHBondContact O-N 3.37Å; L687-K690 CarbonylContact O-C 3.59Å; K690-W694 WeakPolarHBondContact O-CA 3.27Å; K690-W694 WeakPolarHBondContact O-CB 3.46Å; K690-W694 PolarHBondContact O-N 2.86Å
691Q66.5Low63.3Low33 Ų3375.6 Ų75.615%0.15439%0.39CS..Hα-helixtrans-76.7-27.9172.3-174-177.4-1.200110.3L687 I688 T689 W694 A695 M707L687-Q691 VanDerWaalsContact O-CA 3.28Å; L687-Q691 WeakPolarHBondContact O-CA 3.46Å; L687-Q691 WeakPolarHBondContact O-CB 3.46Å; L687-Q691 PolarHBondContact O-N 2.93Å; I688-Q691 CarbonylContact O-C 3.56Å; I688-Q691 PolarHBondContact O-N 2.78Å; T689-Q691 VanDerWaalsContact C-N 3.29Å; T689-Q691 PolarHBondContact O-N 3.12Å; Q691-W694 HydrophobicContact CG-CE3 4.42Å; Q691-A695 WeakPolarHBondContact O-CA 3.08Å; Q691-A695 WeakPolarHBondContact O-CB 3.33Å; Q691-A695 PolarHBondContact O-N 3.3Å; Q691-M707 HydrophobicContact CG-CE 4.32Å
692A65.3Low64Low2 Ų275.9 Ų75.92%0.01738%0.377CS..Hα-helixtrans-79.7-41.2172.500000111.5I688 T689 W694 A695 K696 A704 M707 Y708I688-A692 WeakPolarHBondContact O-CB 3.23Å; I688-A692 PolarHBondContact O-N 3Å; T689-A692 CarbonylContact O-C 3.46Å; T689-A692 PolarHBondContact O-N 3.32Å; T689-A692 VanDerWaalsContact O-N 3.15Å; A692-W694 VanDerWaalsContact C-N 3.29Å; A692-A695 PolarHBondContact O-N 2.77Å; A692-K696 WeakPolarHBondContact O-CB 3.3Å; A692-K696 PolarHBondContact O-N 3.29Å; A692-A704 WeakPolarHBondContact O-CB 3.48Å; A692-M707 HydrophobicContact CB-CB 4.11Å; A692-M707 HydrophobicContact CB-SD 4.39Å; A692-Y708 HydrophobicContact CB-CD2 4.31Å; A692-Y708 HydrophobicContact CB-CE1 4.14Å; A692-Y708 HydrophobicContact CB-CE2 3.84Å
693D70.3Confident64.8Low79 Ų7970 Ų7042%0.42236%0.357SS..Hα-helixtrans-64.7-38.9170.2-66.9-29.9000109.7T689 K696 C697 Y708T689-D693 VanDerWaalsContact O-CB 3.31Å; T689-D693 WeakPolarHBondContact O-CB 3.31Å; T689-D693 PolarHBondContact O-N 3.28Å; D693-K696 WeakPolarHBondContact O-CB 3.13Å; D693-C697 VanDerWaalsContact O-CB 3.27Å; D693-C697 WeakPolarHBondContact O-CB 3.14Å; D693-C697 PolarHBondContact O-N 3.5Å; D693-C697 PolarHBondContact O-SG 2.96Å; D693-Y708 WeakPolarHBondContact CA-OH 3.18Å; D693-Y708 PolarHBondContact N-OH 2.81Å; D693-Y708 PolarHBondContact OD1-OH 2.94Å
694W64.3Low65.6Low45 Ų4567.5 Ų67.517%0.1734%0.339CS..Hα-helixtrans-70.6-46.1171.9174.281.3000111.7R667 F669 K690 Q691 A692 K696 C697 S698R667-W694 HydrophobicContact CB-CZ2 3.71Å; R667-W694 WeakPolarHBondContact O-CZ2 3.22Å; F669-W694 AromaticContact CD2-CD2 3.45Å; F669-W694 HydrophobicContact CD2-CD2 3.45Å; F669-W694 VanDerWaalsContact CD2-CD2 3.45Å; F669-W694 AromaticContact CD2-CE2 3.45Å; F669-W694 VanDerWaalsContact CD2-CE2 3.45Å; F669-W694 AromaticContact CD2-CE3 3.67Å; F669-W694 HydrophobicContact CD2-CE3 3.67Å; F669-W694 HydrophobicContact CD2-CG 4.02Å; F669-W694 AromaticContact CD2-CH2 3.93Å; F669-W694 HydrophobicContact CD2-CH2 3.93Å; F669-W694 AromaticContact CD2-CZ2 3.72Å; F669-W694 HydrophobicContact CD2-CZ2 3.72Å; F669-W694 AromaticContact CD2-CZ3 3.91Å; F669-W694 HydrophobicContact CD2-CZ3 3.91Å; F669-W694 AromaticContact CD2-NE1 3.99Å; F669-W694 HydrophobicContact CE1-CB 4.37Å; F669-W694 HydrophobicContact CE1-CG 4.33Å; F669-W694 HydrophobicContact CE2-CB 3.99Å; F669-W694 AromaticContact CE2-CD1 3.23Å; F669-W694 AromaticContact CE2-CD2 3.05Å; F669-W694 HydrophobicContact CE2-CD2 3.05Å; F669-W694 AromaticContact CE2-CE2 3.09Å; F669-W694 AromaticContact CE2-CE3 3.75Å; F669-W694 HydrophobicContact CE2-CE3 3.75Å; F669-W694 AromaticContact CE2-CG 3.14Å; F669-W694 HydrophobicContact CE2-CG 3.14Å; F669-W694 HydrophobicContact CE2-CH2 4.4Å; F669-W694 AromaticContact CE2-CZ2 3.82Å; F669-W694 HydrophobicContact CE2-CZ2 3.82Å; F669-W694 HydrophobicContact CE2-CZ3 4.37Å; F669-W694 AromaticContact CE2-NE1 3.16Å; F669-W694 HydrophobicContact CG-CD2 4.45Å; F669-W694 HydrophobicContact CG-CE3 4.39Å; F669-W694 HydrophobicContact CZ-CB 3.64Å; F669-W694 AromaticContact CZ-CD1 3.5Å; F669-W694 AromaticContact CZ-CD2 3.69Å; F669-W694 HydrophobicContact CZ-CD2 3.69Å; F669-W694 HydrophobicContact CZ-CE3 4.4Å; F669-W694 AromaticContact CZ-CG 3.29Å; F669-W694 HydrophobicContact CZ-CG 3.29Å; F669-W694 AromaticContact CZ-NE1 3.94Å; K690-W694 WeakPolarHBondContact O-CA 3.27Å; K690-W694 WeakPolarHBondContact O-CB 3.46Å; K690-W694 PolarHBondContact O-N 2.86Å; Q691-W694 HydrophobicContact CG-CE3 4.42Å; A692-W694 VanDerWaalsContact C-N 3.29Å; W694-K696 PolarHBondContact O-N 3Å; W694-C697 CarbonylContact O-C 3.59Å; W694-C697 WeakPolarHBondContact O-CA 3.37Å; W694-C697 PolarHBondContact O-N 3.16Å; W694-S698 VanDerWaalsContact CE2-CB 3.4Å; W694-S698 WeakPolarHBondContact CZ2-OG 3.42Å; W694-S698 PolarHBondContact NE1-OG 3.07Å; W694-S698 WeakPolarHBondContact O-CA 3.12Å; W694-S698 WeakPolarHBondContact O-CB 3.49Å; W694-S698 PolarHBondContact O-N 2.67Å; W694-S698 PolarHBondContact O-OG 2.77Å
695A64.1Low66.2Low2 Ų264.8 Ų64.82%0.01732%0.32CS..Hα-helixtrans-63.4-31.3178.300000109.9Q691 A692 K699 E700 A704Q691-A695 WeakPolarHBondContact O-CA 3.08Å; Q691-A695 WeakPolarHBondContact O-CB 3.33Å; Q691-A695 PolarHBondContact O-N 3.3Å; A692-A695 PolarHBondContact O-N 2.77Å; A695-K699 PolarHBondContact O-N 3.48Å; A695-K699 VanDerWaalsContact O-N 3.12Å; A695-E700 HydrophobicContact CB-CB 4.1Å; A695-E700 WeakPolarHBondContact CB-O 3.28Å; A695-E700 CarbonylContact O-C 3.41Å; A695-E700 WeakPolarHBondContact O-CA 3.5Å; A695-E700 PolarHBondContact O-N 3.02Å; A695-A704 HydrophobicContact CB-CB 3.71Å
696K63.5Low66.8Low72 Ų7261.7 Ų61.731%0.31331%0.308SS..Hα-helixtrans-64.6-50.4165-174.5179.3-177.8170.30111.7A692 D693 W694 S698 A704 Y708 I720 E723A692-K696 WeakPolarHBondContact O-CB 3.3Å; A692-K696 PolarHBondContact O-N 3.29Å; D693-K696 WeakPolarHBondContact O-CB 3.13Å; W694-K696 PolarHBondContact O-N 3Å; K696-S698 VanDerWaalsContact C-N 3.28Å; K696-S698 PolarHBondContact O-N 3.44Å; K696-A704 HydrophobicContact CB-CB 4.3Å; K696-Y708 HydrophobicContact CB-CE2 4.48Å; K696-I720 HydrophobicContact CD-CD1 3.85Å; K696-I720 HydrophobicContact CD-CG1 3.9Å; K696-I720 HydrophobicContact CG-CG1 4.43Å; K696-E723 IonicContact NZ-OE2 3.59Å
697C57.4Low67.1Low85 Ų8559.1 Ų59.157%0.57429%0.294SS*.Hα-helixtrans-71-17.1177.8-690000114.4R667 D693 W694R667-C697 PolarHBondContact NH1-O 3.36Å; D693-C697 VanDerWaalsContact O-CB 3.27Å; D693-C697 WeakPolarHBondContact O-CB 3.14Å; D693-C697 PolarHBondContact O-N 3.5Å; D693-C697 PolarHBondContact O-SG 2.96Å; W694-C697 CarbonylContact O-C 3.59Å; W694-C697 WeakPolarHBondContact O-CA 3.37Å; W694-C697 PolarHBondContact O-N 3.16Å
698S55.8Low67.7Low25 Ų2557.8 Ų57.818%0.17529%0.286CS..THydrogen-bonded Turntrans-109.89.7-175.9-65.10000112.8R667 W694 K696 E700R667-S698 WeakPolarHBondContact CD-OG 3.42Å; R667-S698 PolarHBondContact NH1-OG 3.22Å; W694-S698 VanDerWaalsContact CE2-CB 3.4Å; W694-S698 WeakPolarHBondContact CZ2-OG 3.42Å; W694-S698 PolarHBondContact NE1-OG 3.07Å; W694-S698 WeakPolarHBondContact O-CA 3.12Å; W694-S698 WeakPolarHBondContact O-CB 3.49Å; W694-S698 PolarHBondContact O-N 2.67Å; W694-S698 PolarHBondContact O-OG 2.77Å; K696-S698 VanDerWaalsContact C-N 3.28Å; K696-S698 PolarHBondContact O-N 3.44Å; S698-E700 PolarHBondContact O-N 3.08Å
699K52.1Low67.9Low178 Ų17857.2 Ų57.277%0.77428%0.283SS*.THydrogen-bonded Turntrans58.930.5172.6-49.6179.7178.1-178.20112.6A695 P701A695-K699 PolarHBondContact O-N 3.48Å; A695-K699 VanDerWaalsContact O-N 3.12Å; K699-P701 WeakPolarHBondContact O-CD 3.31Å
700E68.9Low68.1Low106 Ų10659.3 Ų59.350%0.49530%0.3SS..  trans-102.664.5164-79.2-168.1173.700109.3A695 S698 R702 A704A695-E700 HydrophobicContact CB-CB 4.1Å; A695-E700 WeakPolarHBondContact CB-O 3.28Å; A695-E700 CarbonylContact O-C 3.41Å; A695-E700 WeakPolarHBondContact O-CA 3.5Å; A695-E700 PolarHBondContact O-N 3.02Å; S698-E700 PolarHBondContact O-N 3.08Å; E700-R702 VanDerWaalsContact C-N 3.29Å; E700-R702 PolarHBondContact O-N 2.87Å; E700-A704 PolarHBondContact O-N 3.46Å; E700-A704 VanDerWaalsContact O-N 3.12Å
701P69.3Low68.1Low17 Ų1756.4 Ų56.411%0.1130%0.3CS..Hα-helixtrans-89.6-17.6-150.3129.8000108.8K699 A704 A705 I720 H724 W726K699-P701 WeakPolarHBondContact O-CD 3.31Å; P701-A704 CarbonylContact O-C 3.53Å; P701-A704 WeakPolarHBondContact O-CA 3.24Å; P701-A704 VanDerWaalsContact O-CB 3.31Å; P701-A704 WeakPolarHBondContact O-CB 3.18Å; P701-A704 PolarHBondContact O-N 2.87Å; P701-A705 VanDerWaalsContact O-CB 3.25Å; P701-A705 WeakPolarHBondContact O-CB 3.45Å; P701-A705 PolarHBondContact O-N 2.96Å; P701-I720 HydrophobicContact CB-CG2 4.32Å; P701-H724 HydrophobicContact CB-CB 3.78Å; P701-H724 WeakPolarHBondContact CB-CD2 3.4Å; P701-H724 WeakPolarHBondContact CB-CE1 3.22Å; P701-H724 VanDerWaalsContact CB-ND1 3.27Å; P701-H724 WeakPolarHBondContact CB-ND1 3.41Å; P701-H724 WeakPolarHBondContact CB-NE2 3.4Å; P701-H724 HydrophobicContact CG-CB 3.78Å; P701-H724 WeakPolarHBondContact CG-CD2 3.42Å; P701-H724 WeakPolarHBondContact CG-NE2 3.5Å; P701-W726 HydrophobicContact CB-CH2 3.56Å; P701-W726 HydrophobicContact CB-CZ2 3.35Å; P701-W726 HydrophobicContact CG-CH2 4.3Å; P701-W726 HydrophobicContact CG-CZ2 3.56Å; P701-W726 WeakPolarHBondContact O-CH2 3.48Å
702R74.3Confident68.1Low110 Ų11057.2 Ų57.242%0.41532%0.317SS..Hα-helixtrans-72.3-44.7-179.2-166.9169.9178.5137.1-3.5109.4E700 A704 A705 E706 W726 M729E700-R702 VanDerWaalsContact C-N 3.29Å; E700-R702 PolarHBondContact O-N 2.87Å; R702-A704 VanDerWaalsContact C-N 3.33Å; R702-A705 PolarHBondContact O-N 2.82Å; R702-E706 IonicContact NE-OE1 3.42Å; R702-E706 VanDerWaalsContact O-CB 3.23Å; R702-E706 WeakPolarHBondContact O-CB 3.46Å; R702-E706 WeakPolarHBondContact O-CG 3.5Å; R702-E706 PolarHBondContact O-N 2.78Å; R702-W726 HydrophobicContact CB-CD2 3.99Å; R702-W726 HydrophobicContact CB-CE3 4.24Å; R702-W726 HydrophobicContact CB-CH2 4.11Å; R702-W726 HydrophobicContact CB-CZ2 3.65Å; R702-W726 HydrophobicContact CB-CZ3 4.33Å; R702-W726 HydrophobicContact CG-CD2 3.99Å; R702-W726 HydrophobicContact CG-CE3 4.12Å; R702-M729 HydrophobicContact CG-CE 3.8Å; R702-M729 HydrophobicContact CG-SD 4.15Å
703A73.4Confident68.7Low41 Ų4161 Ų6134%0.33934%0.335SS..Hα-helixtrans-61-43.616700000110.6A705 E706 M707A703-A705 PolarHBondContact O-N 2.81Å; A703-E706 PolarHBondContact O-N 3.34Å; A703-M707 WeakPolarHBondContact O-CB 3.26Å; A703-M707 WeakPolarHBondContact O-CG 3.13Å; A703-M707 PolarHBondContact O-N 2.87Å
704A74.5Confident69Low0 Ų063.4 Ų63.40%034%0.343CS..Hα-helixtrans-58.6-47.1175.200000111.9A692 A695 K696 E700 P701 R702 M707 Y708A692-A704 WeakPolarHBondContact O-CB 3.48Å; A695-A704 HydrophobicContact CB-CB 3.71Å; K696-A704 HydrophobicContact CB-CB 4.3Å; E700-A704 PolarHBondContact O-N 3.46Å; E700-A704 VanDerWaalsContact O-N 3.12Å; P701-A704 CarbonylContact O-C 3.53Å; P701-A704 WeakPolarHBondContact O-CA 3.24Å; P701-A704 VanDerWaalsContact O-CB 3.31Å; P701-A704 WeakPolarHBondContact O-CB 3.18Å; P701-A704 PolarHBondContact O-N 2.87Å; R702-A704 VanDerWaalsContact C-N 3.33Å; A704-M707 CarbonylContact O-C 3.53Å; A704-M707 WeakPolarHBondContact O-CA 3.14Å; A704-M707 WeakPolarHBondContact O-CB 3.34Å; A704-M707 PolarHBondContact O-N 2.99Å; A704-Y708 VanDerWaalsContact C-CD2 3.5Å; A704-Y708 HydrophobicContact CB-CD2 4.26Å; A704-Y708 HydrophobicContact CB-CE2 4.07Å; A704-Y708 WeakPolarHBondContact O-CB 3.21Å; A704-Y708 WeakPolarHBondContact O-CD2 3.35Å; A704-Y708 PolarHBondContact O-N 2.88Å
705A71.4Confident69.3Low0 Ų063.6 Ų63.60%035%0.354CS..Hα-helixtrans-73.1-37.1-177.900000112.4P701 R702 A703 M707 Y708 L709 I720 I721 W726P701-A705 VanDerWaalsContact O-CB 3.25Å; P701-A705 WeakPolarHBondContact O-CB 3.45Å; P701-A705 PolarHBondContact O-N 2.96Å; R702-A705 PolarHBondContact O-N 2.82Å; A703-A705 PolarHBondContact O-N 2.81Å; A705-M707 VanDerWaalsContact C-N 3.3Å; A705-Y708 CarbonylContact O-C 3.55Å; A705-Y708 PolarHBondContact O-N 3.11Å; A705-L709 WeakPolarHBondContact O-CA 3.46Å; A705-L709 WeakPolarHBondContact O-CB 3.47Å; A705-L709 WeakPolarHBondContact O-CG 3.34Å; A705-L709 PolarHBondContact O-N 3.45Å; A705-I720 HydrophobicContact CB-CB 4.42Å; A705-I720 HydrophobicContact CB-CG2 3.84Å; A705-I721 HydrophobicContact CB-CD1 4.46Å; A705-I721 HydrophobicContact CB-CG1 3.83Å; A705-W726 HydrophobicContact CB-CE3 4.29Å; A705-W726 HydrophobicContact CB-CH2 3.75Å; A705-W726 HydrophobicContact CB-CZ3 3.22Å
706E75.1Confident69.9Low95 Ų9568.4 Ų68.444%0.44438%0.375SS..Hα-helixtrans-63.1-40168.7-74.8172-174.100110.1R702 A703 L709 S710 M729R702-E706 IonicContact NE-OE1 3.42Å; R702-E706 VanDerWaalsContact O-CB 3.23Å; R702-E706 WeakPolarHBondContact O-CB 3.46Å; R702-E706 WeakPolarHBondContact O-CG 3.5Å; R702-E706 PolarHBondContact O-N 2.78Å; A703-E706 PolarHBondContact O-N 3.34Å; E706-L709 PolarHBondContact O-N 3.06Å; E706-S710 VanDerWaalsContact O-CB 3.23Å; E706-S710 WeakPolarHBondContact O-CB 3.5Å; E706-S710 PolarHBondContact O-N 3.41Å; E706-S710 PolarHBondContact O-OG 2.85Å; E706-M729 HydrophobicContact CG-CE 4.21Å; E706-M729 WeakPolarHBondContact OE1-CE 3.32Å
707M73.3Confident70.4Confident46 Ų4665 Ų6523%0.22736%0.36CS..Hα-helixtrans-64.2-42.1171.9-73.7171.9141.800111.7I688 Q691 A692 A703 A704 A705 S710 A711I688-M707 HydrophobicContact CG2-CE 4.23Å; Q691-M707 HydrophobicContact CG-CE 4.32Å; A692-M707 HydrophobicContact CB-CB 4.11Å; A692-M707 HydrophobicContact CB-SD 4.39Å; A703-M707 WeakPolarHBondContact O-CB 3.26Å; A703-M707 WeakPolarHBondContact O-CG 3.13Å; A703-M707 PolarHBondContact O-N 2.87Å; A704-M707 CarbonylContact O-C 3.53Å; A704-M707 WeakPolarHBondContact O-CA 3.14Å; A704-M707 WeakPolarHBondContact O-CB 3.34Å; A704-M707 PolarHBondContact O-N 2.99Å; A705-M707 VanDerWaalsContact C-N 3.3Å; M707-S710 WeakPolarHBondContact CA-OG 3.18Å; M707-S710 PolarHBondContact O-N 3.42Å; M707-S710 PolarHBondContact O-OG 2.86Å; M707-A711 WeakPolarHBondContact O-CB 3.49Å; M707-A711 PolarHBondContact O-N 3.02Å
708Y77.7Confident71.4Confident21 Ų2161.3 Ų61.38%0.08234%0.335CS..Hα-helixtrans-71.8-33.7175.7-72.7-66.2000112.6A692 D693 K696 A704 A705 A711 G712 E713 I720A692-Y708 HydrophobicContact CB-CD2 4.31Å; A692-Y708 HydrophobicContact CB-CE1 4.14Å; A692-Y708 HydrophobicContact CB-CE2 3.84Å; D693-Y708 WeakPolarHBondContact CA-OH 3.18Å; D693-Y708 PolarHBondContact N-OH 2.81Å; D693-Y708 PolarHBondContact OD1-OH 2.94Å; K696-Y708 HydrophobicContact CB-CE2 4.48Å; A704-Y708 VanDerWaalsContact C-CD2 3.5Å; A704-Y708 HydrophobicContact CB-CD2 4.26Å; A704-Y708 HydrophobicContact CB-CE2 4.07Å; A704-Y708 WeakPolarHBondContact O-CB 3.21Å; A704-Y708 WeakPolarHBondContact O-CD2 3.35Å; A704-Y708 PolarHBondContact O-N 2.88Å; A705-Y708 CarbonylContact O-C 3.55Å; A705-Y708 PolarHBondContact O-N 3.11Å; Y708-A711 CarbonylContact O-C 3.52Å; Y708-A711 PolarHBondContact O-N 2.85Å; Y708-G712 PolarHBondContact O-N 2.87Å; Y708-E713 PolarHBondContact O-N 2.85Å; Y708-E713 VanDerWaalsContact O-N 3.08Å; Y708-I720 HydrophobicContact CD2-CD1 3.04Å; Y708-I720 HydrophobicContact CD2-CG1 4.49Å; Y708-I720 HydrophobicContact CE2-CD1 3.06Å; Y708-I720 HydrophobicContact CE2-CG1 4.48Å; Y708-I720 HydrophobicContact CG-CD1 3.93Å
709L73.3Confident72.5Confident59 Ų5962.6 Ų62.631%0.30934%0.339SS..Hα-helixtrans-68.2-42.5172.4-76.6169000110.3A705 E706 A711 G712 A717 I721A705-L709 WeakPolarHBondContact O-CA 3.46Å; A705-L709 WeakPolarHBondContact O-CB 3.47Å; A705-L709 WeakPolarHBondContact O-CG 3.34Å; A705-L709 PolarHBondContact O-N 3.45Å; E706-L709 PolarHBondContact O-N 3.06Å; L709-A711 PolarHBondContact O-N 2.87Å; L709-G712 PolarHBondContact O-N 2.87Å; L709-A717 HydrophobicContact CD2-CB 3.54Å; L709-A717 HydrophobicContact CG-CB 3.69Å; L709-I721 HydrophobicContact CD1-CD1 4.19Å
710S71.8Confident73.7Confident101 Ų10154.1 Ų54.171%0.70630%0.303SS*.Hα-helixtrans-65.7-22.6173780000112.4E706 M707E706-S710 VanDerWaalsContact O-CB 3.23Å; E706-S710 WeakPolarHBondContact O-CB 3.5Å; E706-S710 PolarHBondContact O-N 3.41Å; E706-S710 PolarHBondContact O-OG 2.85Å; M707-S710 WeakPolarHBondContact CA-OG 3.18Å; M707-S710 PolarHBondContact O-N 3.42Å; M707-S710 PolarHBondContact O-OG 2.86Å
711A67.7Low74.1Confident68 Ų6849.1 Ų49.156%0.56228%0.279SS*.THydrogen-bonded Turntrans-90.2-3.2171.700000114.1M707 Y708 L709M707-A711 WeakPolarHBondContact O-CB 3.49Å; M707-A711 PolarHBondContact O-N 3.02Å; Y708-A711 CarbonylContact O-C 3.52Å; Y708-A711 PolarHBondContact O-N 2.85Å; L709-A711 PolarHBondContact O-N 2.87Å
712G66.8Low74.2Confident50 Ų5048.3 Ų48.352%0.51527%0.274SS..THydrogen-bonded Turntrans88.413.817100000117.6Y708 L709Y708-G712 PolarHBondContact O-N 2.87Å; L709-G712 PolarHBondContact O-N 2.87Å
713E78.3Confident74Confident82 Ų8247.3 Ų47.338%0.38327%0.274SS..  trans-104.380-169.8-74.1-95.4-146.300112.8Y708 A715 K716 A717Y708-E713 PolarHBondContact O-N 2.85Å; Y708-E713 VanDerWaalsContact O-N 3.08Å; E713-A715 PolarHBondContact O-N 3.23Å; E713-K716 HydrophobicContact CB-CB 4.18Å; E713-K716 HydrophobicContact CB-CD 4.18Å; E713-K716 HydrophobicContact CB-CG 4.5Å; E713-K716 HydrophobicContact CG-CD 4.34Å; E713-K716 PolarHBondContact O-N 3.02Å; E713-K716 IonicContact OE1-NZ 3.13Å; E713-K716 PolarHBondContact OE1-NZ 3.42Å; E713-K716 IonicContact OE2-NZ 2.67Å; E713-A717 VanDerWaalsContact O-CB 3.24Å; E713-A717 WeakPolarHBondContact O-CB 3.4Å; E713-A717 PolarHBondContact O-N 2.96Å
714H75.8Confident74.1Confident129 Ų12948 Ų4860%0.59727%0.27SS*.Hα-helixtrans-64.8-36.6-172.5-65.8-56.4000115.6A717 I718H714-A717 PolarHBondContact O-N 2.93Å; H714-I718 WeakPolarHBondContact O-CB 3.34Å; H714-I718 WeakPolarHBondContact O-CD1 3.43Å; H714-I718 WeakPolarHBondContact O-CG1 3.4Å; H714-I718 PolarHBondContact O-N 3.39Å
715A71.6Confident73.6Confident49 Ų4949.2 Ų49.241%0.40528%0.283SS..Hα-helixtrans-68.6-44.4177.400000111.1E713 A717 I718 D719E713-A715 PolarHBondContact O-N 3.23Å; A715-A717 VanDerWaalsContact C-N 3.31Å; A715-A717 PolarHBondContact O-N 3.04Å; A715-I718 PolarHBondContact O-N 3.01Å; A715-D719 WeakPolarHBondContact O-CB 3.43Å; A715-D719 PolarHBondContact O-N 3.38Å
716K75Confident74.1Confident102 Ų10250.9 Ų50.944%0.44329%0.289SS..Hα-helixtrans-65.9-36.9174.3-63.7176.5-173.6159.70111.1E713 I720E713-K716 HydrophobicContact CB-CB 4.18Å; E713-K716 HydrophobicContact CB-CD 4.18Å; E713-K716 HydrophobicContact CB-CG 4.5Å; E713-K716 HydrophobicContact CG-CD 4.34Å; E713-K716 PolarHBondContact O-N 3.02Å; E713-K716 IonicContact OE1-NZ 3.13Å; E713-K716 PolarHBondContact OE1-NZ 3.42Å; E713-K716 IonicContact OE2-NZ 2.67Å; K716-I720 VanDerWaalsContact O-CB 3.29Å; K716-I720 WeakPolarHBondContact O-CB 3.49Å; K716-I720 VanDerWaalsContact O-CD1 3.26Å; K716-I720 WeakPolarHBondContact O-CD1 3.31Å; K716-I720 WeakPolarHBondContact O-CG1 3.47Å; K716-I720 PolarHBondContact O-N 2.74Å
717A75.9Confident73.9Confident0 Ų046.9 Ų46.90%027%0.272CS..Hα-helixtrans-66-45.8173.300000111.5L709 E713 H714 A715 D719 I720 I721L709-A717 HydrophobicContact CD2-CB 3.54Å; L709-A717 HydrophobicContact CG-CB 3.69Å; E713-A717 VanDerWaalsContact O-CB 3.24Å; E713-A717 WeakPolarHBondContact O-CB 3.4Å; E713-A717 PolarHBondContact O-N 2.96Å; H714-A717 PolarHBondContact O-N 2.93Å; A715-A717 VanDerWaalsContact C-N 3.31Å; A715-A717 PolarHBondContact O-N 3.04Å; A717-D719 VanDerWaalsContact C-N 3.32Å; A717-D719 PolarHBondContact O-N 3.39Å; A717-I720 CarbonylContact O-C 3.49Å; A717-I720 PolarHBondContact O-N 3.14Å; A717-I721 HydrophobicContact CB-CD1 4.15Å; A717-I721 WeakPolarHBondContact O-CB 3.15Å; A717-I721 VanDerWaalsContact O-CD1 3.25Å; A717-I721 WeakPolarHBondContact O-CD1 3.48Å; A717-I721 WeakPolarHBondContact O-CG1 3.33Å; A717-I721 PolarHBondContact O-N 3.08Å
718I77.8Confident74Confident9 Ų950 Ų505%0.04629%0.29CS..Hα-helixtrans-64.8-37.1175.9-71.3164.3000110.8H714 A715 I720 G722 L730 I733 P744 K747H714-I718 WeakPolarHBondContact O-CB 3.34Å; H714-I718 WeakPolarHBondContact O-CD1 3.43Å; H714-I718 WeakPolarHBondContact O-CG1 3.4Å; H714-I718 PolarHBondContact O-N 3.39Å; A715-I718 PolarHBondContact O-N 3.01Å; I718-I720 VanDerWaalsContact C-N 3.33Å; I718-G722 WeakPolarHBondContact O-CA 3.35Å; I718-G722 PolarHBondContact O-N 2.87Å; I718-L730 HydrophobicContact CG2-CD1 4.17Å; I718-I733 HydrophobicContact CD1-CG2 4.01Å; I718-I733 HydrophobicContact CG1-CD1 4.48Å; I718-I733 HydrophobicContact CG1-CG2 4.07Å; I718-P744 HydrophobicContact CD1-CB 4.36Å; I718-K747 HydrophobicContact CG2-CB 4.43Å
719D77.9Confident74Confident51 Ų5150.5 Ų50.527%0.27329%0.293SS..Hα-helixtrans-67.6-36.6174.2-71.3-27.1000110.9A715 A717 E723 H751A715-D719 WeakPolarHBondContact O-CB 3.43Å; A715-D719 PolarHBondContact O-N 3.38Å; A717-D719 VanDerWaalsContact C-N 3.32Å; A717-D719 PolarHBondContact O-N 3.39Å; D719-E723 WeakPolarHBondContact O-CA 3.48Å; D719-E723 WeakPolarHBondContact O-CB 3.39Å; D719-E723 VanDerWaalsContact O-CD 3.31Å; D719-E723 WeakPolarHBondContact O-CG 3.44Å; D719-E723 PolarHBondContact O-N 3.48Å; D719-H751 IonicContact OD1-CE1 2.72Å; D719-H751 IonicContact OD1-NE2 3.7Å; D719-H751 PolarHBondContact OD1-NE2 2.92Å
720I77.1Confident74.4Confident1 Ų147.7 Ų47.71%0.00528%0.279CS..Hα-helixtrans-75-48.4175.7-67.9165.3000110.5K696 P701 A705 Y708 K716 A717 I718 G722 E723 H724 W726K696-I720 HydrophobicContact CD-CD1 3.85Å; K696-I720 HydrophobicContact CD-CG1 3.9Å; K696-I720 HydrophobicContact CG-CG1 4.43Å; P701-I720 HydrophobicContact CB-CG2 4.32Å; A705-I720 HydrophobicContact CB-CB 4.42Å; A705-I720 HydrophobicContact CB-CG2 3.84Å; Y708-I720 HydrophobicContact CD2-CD1 3.04Å; Y708-I720 HydrophobicContact CD2-CG1 4.49Å; Y708-I720 HydrophobicContact CE2-CD1 3.06Å; Y708-I720 HydrophobicContact CE2-CG1 4.48Å; Y708-I720 HydrophobicContact CG-CD1 3.93Å; K716-I720 VanDerWaalsContact O-CB 3.29Å; K716-I720 WeakPolarHBondContact O-CB 3.49Å; K716-I720 VanDerWaalsContact O-CD1 3.26Å; K716-I720 WeakPolarHBondContact O-CD1 3.31Å; K716-I720 WeakPolarHBondContact O-CG1 3.47Å; K716-I720 PolarHBondContact O-N 2.74Å; A717-I720 CarbonylContact O-C 3.49Å; A717-I720 PolarHBondContact O-N 3.14Å; I718-I720 VanDerWaalsContact C-N 3.33Å; I720-G722 VanDerWaalsContact C-N 3.26Å; I720-G722 PolarHBondContact O-N 3.06Å; I720-E723 PolarHBondContact O-N 3.44Å; I720-H724 WeakPolarHBondContact CG2-ND1 3.26Å; I720-H724 WeakPolarHBondContact O-CB 3.46Å; I720-H724 VanDerWaalsContact O-CG 3.25Å; I720-H724 PolarHBondContact O-N 3.25Å; I720-H724 PolarHBondContact O-ND1 2.79Å; I720-W726 HydrophobicContact CG2-CH2 3.99Å; I720-W726 HydrophobicContact CG2-CZ3 4.47Å
721I78.3Confident74.8Confident0 Ų043.3 Ų43.30%025%0.247CC..Hα-helixtrans-59.1-41.6176.4-65.1162.2000110.1A705 L709 A717 H724 G725 W726 M729 L730 I733A705-I721 HydrophobicContact CB-CD1 4.46Å; A705-I721 HydrophobicContact CB-CG1 3.83Å; L709-I721 HydrophobicContact CD1-CD1 4.19Å; A717-I721 HydrophobicContact CB-CD1 4.15Å; A717-I721 WeakPolarHBondContact O-CB 3.15Å; A717-I721 VanDerWaalsContact O-CD1 3.25Å; A717-I721 WeakPolarHBondContact O-CD1 3.48Å; A717-I721 WeakPolarHBondContact O-CG1 3.33Å; A717-I721 PolarHBondContact O-N 3.08Å; I721-H724 PolarHBondContact O-N 3.12Å; I721-G725 PolarHBondContact O-N 2.85Å; I721-W726 HydrophobicContact CB-CE3 4.04Å; I721-W726 HydrophobicContact CB-CZ3 4Å; I721-W726 HydrophobicContact CG1-CE3 3.65Å; I721-W726 HydrophobicContact CG1-CZ3 3.45Å; I721-W726 VanDerWaalsContact CG1-CZ3 3.45Å; I721-W726 HydrophobicContact CG2-CB 4.26Å; I721-W726 HydrophobicContact CG2-CE3 4.07Å; I721-W726 PolarHBondContact O-N 3.28Å; I721-M729 HydrophobicContact CG2-CB 4.06Å; I721-L730 HydrophobicContact CG2-CB 3.84Å; I721-L730 HydrophobicContact CG2-CD1 3.97Å; I721-L730 HydrophobicContact CG2-CG 4.46Å; I721-I733 HydrophobicContact CD1-CD1 3.41Å; I721-I733 VanDerWaalsContact CD1-CD1 3.41Å
722G70.9Confident75.3Confident0 Ų043.8 Ų43.80%024%0.24CC..Hα-helixtrans-75.5-31177.500000114.3I718 I720 H724 L755I718-G722 WeakPolarHBondContact O-CA 3.35Å; I718-G722 PolarHBondContact O-N 2.87Å; I720-G722 VanDerWaalsContact C-N 3.26Å; I720-G722 PolarHBondContact O-N 3.06Å; G722-H724 VanDerWaalsContact C-N 3.34Å; G722-L755 WeakPolarHBondContact O-CD1 3.42Å; G722-L755 WeakPolarHBondContact O-CD2 3.46Å; G722-L755 WeakPolarHBondContact O-CG 3.26Å
723E70.1Confident75.9Confident89 Ų8943.1 Ų43.142%0.41623%0.225SC..Hα-helixtrans-74-27.7169.2-80.2167.6175.400111.8K696 D719 I720K696-E723 IonicContact NZ-OE2 3.59Å; D719-E723 WeakPolarHBondContact O-CA 3.48Å; D719-E723 WeakPolarHBondContact O-CB 3.39Å; D719-E723 VanDerWaalsContact O-CD 3.31Å; D719-E723 WeakPolarHBondContact O-CG 3.44Å; D719-E723 PolarHBondContact O-N 3.48Å; I720-E723 PolarHBondContact O-N 3.44Å
724H75.6Confident75.8Confident56 Ų5639.6 Ų39.626%0.25921%0.21SC..Hα-helixtrans-107.8-2-172.3-65.698.6000115.5P701 I720 I721 G722 W726P701-H724 HydrophobicContact CB-CB 3.78Å; P701-H724 WeakPolarHBondContact CB-CD2 3.4Å; P701-H724 WeakPolarHBondContact CB-CE1 3.22Å; P701-H724 VanDerWaalsContact CB-ND1 3.27Å; P701-H724 WeakPolarHBondContact CB-ND1 3.41Å; P701-H724 WeakPolarHBondContact CB-NE2 3.4Å; P701-H724 HydrophobicContact CG-CB 3.78Å; P701-H724 WeakPolarHBondContact CG-CD2 3.42Å; P701-H724 WeakPolarHBondContact CG-NE2 3.5Å; I720-H724 WeakPolarHBondContact CG2-ND1 3.26Å; I720-H724 WeakPolarHBondContact O-CB 3.46Å; I720-H724 VanDerWaalsContact O-CG 3.25Å; I720-H724 PolarHBondContact O-N 3.25Å; I720-H724 PolarHBondContact O-ND1 2.79Å; I721-H724 PolarHBondContact O-N 3.12Å; G722-H724 VanDerWaalsContact C-N 3.34Å; H724-W726 HydrophobicContact CB-CH2 3.72Å; H724-W726 HydrophobicContact CB-CZ2 3.34Å
725G64.1Low76Confident26 Ų2641 Ų4127%0.26821%0.21SC..THydrogen-bonded Turntrans80.320.2165.300000115.9I721 A727 L755I721-G725 PolarHBondContact O-N 2.85Å; G725-A727 PolarHBondContact O-N 3.07Å; G725-L755 VanDerWaalsContact N-CD2 3.33Å
726W82.6Confident76.4Confident34 Ų3446.9 Ų46.913%0.12923%0.226CC..  trans-77.781173.1-49.5-34.2000110P701 R702 A705 I720 I721 H724 D728 M729 L730P701-W726 HydrophobicContact CB-CH2 3.56Å; P701-W726 HydrophobicContact CB-CZ2 3.35Å; P701-W726 HydrophobicContact CG-CH2 4.3Å; P701-W726 HydrophobicContact CG-CZ2 3.56Å; P701-W726 WeakPolarHBondContact O-CH2 3.48Å; R702-W726 HydrophobicContact CB-CD2 3.99Å; R702-W726 HydrophobicContact CB-CE3 4.24Å; R702-W726 HydrophobicContact CB-CH2 4.11Å; R702-W726 HydrophobicContact CB-CZ2 3.65Å; R702-W726 HydrophobicContact CB-CZ3 4.33Å; R702-W726 HydrophobicContact CG-CD2 3.99Å; R702-W726 HydrophobicContact CG-CE3 4.12Å; A705-W726 HydrophobicContact CB-CE3 4.29Å; A705-W726 HydrophobicContact CB-CH2 3.75Å; A705-W726 HydrophobicContact CB-CZ3 3.22Å; I720-W726 HydrophobicContact CG2-CH2 3.99Å; I720-W726 HydrophobicContact CG2-CZ3 4.47Å; I721-W726 HydrophobicContact CB-CE3 4.04Å; I721-W726 HydrophobicContact CB-CZ3 4Å; I721-W726 HydrophobicContact CG1-CE3 3.65Å; I721-W726 HydrophobicContact CG1-CZ3 3.45Å; I721-W726 VanDerWaalsContact CG1-CZ3 3.45Å; I721-W726 HydrophobicContact CG2-CB 4.26Å; I721-W726 HydrophobicContact CG2-CE3 4.07Å; I721-W726 PolarHBondContact O-N 3.28Å; H724-W726 HydrophobicContact CB-CH2 3.72Å; H724-W726 HydrophobicContact CB-CZ2 3.34Å; W726-D728 PolarHBondContact O-N 3.35Å; W726-M729 HydrophobicContact CB-CB 4.09Å; W726-M729 HydrophobicContact CB-CG 4.43Å; W726-M729 HydrophobicContact CB-SD 4.32Å; W726-M729 HydrophobicContact CD2-SD 4.21Å; W726-M729 HydrophobicContact CE3-SD 3.61Å; W726-M729 PolarHBondContact O-N 3.03Å; W726-L730 VanDerWaalsContact O-CB 3.3Å; W726-L730 WeakPolarHBondContact O-CB 3.37Å; W726-L730 PolarHBondContact O-N 3.08Å
727A71.3Confident76.5Confident11 Ų1143.3 Ų43.39%0.09121%0.212CC..Hα-helixtrans-50.8-46.1177.700000110.7G725 M729 L730 I731 H757G725-A727 PolarHBondContact O-N 3.07Å; A727-M729 PolarHBondContact O-N 3.23Å; A727-L730 CarbonylContact O-C 3.6Å; A727-L730 PolarHBondContact O-N 2.9Å; A727-L730 VanDerWaalsContact O-N 3.16Å; A727-I731 HydrophobicContact CB-CD1 4.03Å; A727-I731 WeakPolarHBondContact O-CA 3.24Å; A727-I731 WeakPolarHBondContact O-CB 3.23Å; A727-I731 VanDerWaalsContact O-CD1 3.26Å; A727-I731 WeakPolarHBondContact O-CD1 3.49Å; A727-I731 WeakPolarHBondContact O-CG1 3.18Å; A727-I731 PolarHBondContact O-N 3.24Å; A727-H757 VanDerWaalsContact CB-NE2 3.33Å; A727-H757 WeakPolarHBondContact CB-NE2 3.18Å
728D75.3Confident76.4Confident111 Ų11148.2 Ų48.259%0.59424%0.238SC*.Hα-helixtrans-62.6-44.5-177.1-54.9-36.3000112.6W726 I731 D732W726-D728 PolarHBondContact O-N 3.35Å; D728-I731 PolarHBondContact O-N 3.03Å; D728-D732 VanDerWaalsContact O-CB 3.26Å; D728-D732 WeakPolarHBondContact O-CB 3.45Å; D728-D732 PolarHBondContact O-N 3.19Å
729M77.6Confident76.2Confident32 Ų3254.9 Ų54.916%0.15827%0.267CS..Hα-helixtrans-68.4-38.1174.9-76.3178.5170.900111.7R702 E706 I721 W726 A727 D732 I733R702-M729 HydrophobicContact CG-CE 3.8Å; R702-M729 HydrophobicContact CG-SD 4.15Å; E706-M729 HydrophobicContact CG-CE 4.21Å; E706-M729 WeakPolarHBondContact OE1-CE 3.32Å; I721-M729 HydrophobicContact CG2-CB 4.06Å; W726-M729 HydrophobicContact CB-CB 4.09Å; W726-M729 HydrophobicContact CB-CG 4.43Å; W726-M729 HydrophobicContact CB-SD 4.32Å; W726-M729 HydrophobicContact CD2-SD 4.21Å; W726-M729 HydrophobicContact CE3-SD 3.61Å; W726-M729 PolarHBondContact O-N 3.03Å; A727-M729 PolarHBondContact O-N 3.23Å; M729-D732 PolarHBondContact O-N 3.27Å; M729-I733 VanDerWaalsContact O-CB 3.3Å; M729-I733 WeakPolarHBondContact O-CB 3.46Å; M729-I733 WeakPolarHBondContact O-CD1 3.34Å; M729-I733 WeakPolarHBondContact O-CG1 3.25Å; M729-I733 PolarHBondContact O-N 3.49Å
730L80.7Confident75.7Confident0 Ų056.4 Ų56.40%029%0.286CS..Hα-helixtrans-71.6-33.3178.4-163.865.8000111.8I718 I721 W726 A727 A734 H751 F752 L755I718-L730 HydrophobicContact CG2-CD1 4.17Å; I721-L730 HydrophobicContact CG2-CB 3.84Å; I721-L730 HydrophobicContact CG2-CD1 3.97Å; I721-L730 HydrophobicContact CG2-CG 4.46Å; W726-L730 VanDerWaalsContact O-CB 3.3Å; W726-L730 WeakPolarHBondContact O-CB 3.37Å; W726-L730 PolarHBondContact O-N 3.08Å; A727-L730 CarbonylContact O-C 3.6Å; A727-L730 PolarHBondContact O-N 2.9Å; A727-L730 VanDerWaalsContact O-N 3.16Å; L730-A734 WeakPolarHBondContact O-CB 3.49Å; L730-A734 PolarHBondContact O-N 3.45Å; L730-H751 HydrophobicContact CD2-CB 3.94Å; L730-F752 HydrophobicContact CB-CE1 3.96Å; L730-F752 HydrophobicContact CB-CZ 4.27Å; L730-F752 HydrophobicContact CD2-CD1 3.74Å; L730-F752 HydrophobicContact CD2-CE1 3.58Å; L730-F752 HydrophobicContact CD2-CG 4.41Å; L730-F752 HydrophobicContact CD2-CZ 4.14Å; L730-F752 HydrophobicContact CG-CD1 4.39Å; L730-F752 HydrophobicContact CG-CE1 3.75Å; L730-F752 HydrophobicContact CG-CZ 3.9Å; L730-L755 HydrophobicContact CD2-CD1 3.59Å
731I80.3Confident75.6Confident9 Ų960.5 Ų60.55%0.04631%0.306CS..Hα-helixtrans-70.6-45.4173.7-72.4161.2000108.6A727 D728 I733 A734 R735 F752 Y760A727-I731 HydrophobicContact CB-CD1 4.03Å; A727-I731 WeakPolarHBondContact O-CA 3.24Å; A727-I731 WeakPolarHBondContact O-CB 3.23Å; A727-I731 VanDerWaalsContact O-CD1 3.26Å; A727-I731 WeakPolarHBondContact O-CD1 3.49Å; A727-I731 WeakPolarHBondContact O-CG1 3.18Å; A727-I731 PolarHBondContact O-N 3.24Å; D728-I731 PolarHBondContact O-N 3.03Å; I731-I733 VanDerWaalsContact C-N 3.31Å; I731-I733 PolarHBondContact O-N 2.66Å; I731-A734 PolarHBondContact O-N 2.92Å; I731-R735 HydrophobicContact CG2-CG 4.26Å; I731-R735 VanDerWaalsContact CG2-CZ 3.46Å; I731-R735 WeakPolarHBondContact O-CB 3.38Å; I731-R735 WeakPolarHBondContact O-CG 3.41Å; I731-R735 PolarHBondContact O-N 3.39Å; I731-F752 HydrophobicContact CG1-CE1 3.88Å; I731-F752 HydrophobicContact CG1-CZ 3.95Å; I731-Y760 HydrophobicContact CD1-CD1 4.23Å; I731-Y760 HydrophobicContact CD1-CD2 3.83Å; I731-Y760 HydrophobicContact CD1-CE1 4Å; I731-Y760 HydrophobicContact CD1-CE2 3.57Å; I731-Y760 HydrophobicContact CD1-CG 4.15Å; I731-Y760 HydrophobicContact CG1-CD1 4.34Å; I731-Y760 HydrophobicContact CG1-CD2 4.4Å; I731-Y760 HydrophobicContact CG1-CE1 4.49Å; I731-Y760 HydrophobicContact CG1-CG 4.29Å
732D79.4Confident75.3Confident78 Ų7869.7 Ų69.742%0.41734%0.34SS..Hα-helixtrans-61-42.4174.2-80-12.8000110.9D728 M729 K736D728-D732 VanDerWaalsContact O-CB 3.26Å; D728-D732 WeakPolarHBondContact O-CB 3.45Å; D728-D732 PolarHBondContact O-N 3.19Å; M729-D732 PolarHBondContact O-N 3.27Å; D732-K736 WeakPolarHBondContact O-CB 3.46Å; D732-K736 WeakPolarHBondContact O-CD 3.14Å; D732-K736 WeakPolarHBondContact O-CG 3.13Å; D732-K736 PolarHBondContact O-N 3.26Å
733I79.1Confident75.5Confident36 Ų3675.9 Ų75.919%0.18537%0.369CS..Hα-helixtrans-64.9-52.3173.2-70.6164.7000110I718 I721 M729 I731 R735 K736 L737I718-I733 HydrophobicContact CD1-CG2 4.01Å; I718-I733 HydrophobicContact CG1-CD1 4.48Å; I718-I733 HydrophobicContact CG1-CG2 4.07Å; I721-I733 HydrophobicContact CD1-CD1 3.41Å; I721-I733 VanDerWaalsContact CD1-CD1 3.41Å; M729-I733 VanDerWaalsContact O-CB 3.3Å; M729-I733 WeakPolarHBondContact O-CB 3.46Å; M729-I733 WeakPolarHBondContact O-CD1 3.34Å; M729-I733 WeakPolarHBondContact O-CG1 3.25Å; M729-I733 PolarHBondContact O-N 3.49Å; I731-I733 VanDerWaalsContact C-N 3.31Å; I731-I733 PolarHBondContact O-N 2.66Å; I733-R735 VanDerWaalsContact C-N 3.27Å; I733-R735 PolarHBondContact O-N 3.06Å; I733-K736 CarbonylContact O-C 3.6Å; I733-K736 PolarHBondContact O-N 2.99Å; I733-K736 VanDerWaalsContact O-N 3.08Å; I733-L737 HydrophobicContact CG2-CD1 3.52Å; I733-L737 HydrophobicContact CG2-CG 3.97Å; I733-L737 WeakPolarHBondContact O-CB 3.22Å; I733-L737 WeakPolarHBondContact O-CG 3.39Å; I733-L737 PolarHBondContact O-N 3.25Å
734A75.6Confident75.8Confident9 Ų973.2 Ų73.27%0.07436%0.36CS..Hα-helixtrans-65.2-24-178.100000114.5L730 I731 C748 F752L730-A734 WeakPolarHBondContact O-CB 3.49Å; L730-A734 PolarHBondContact O-N 3.45Å; I731-A734 PolarHBondContact O-N 2.92Å; A734-C748 HydrophobicContact CB-CB 4.09Å; A734-F752 HydrophobicContact CB-CE2 3.75Å; A734-F752 HydrophobicContact CB-CZ 3.87Å
735R80.6Confident75.9Confident157 Ų15771.1 Ų71.159%0.59235%0.35SS*.Hα-helixtrans-84.3-32.2171.7-72.6175.4176.5170.1-0.3112.6I731 I733I731-R735 HydrophobicContact CG2-CG 4.26Å; I731-R735 VanDerWaalsContact CG2-CZ 3.46Å; I731-R735 WeakPolarHBondContact O-CB 3.38Å; I731-R735 WeakPolarHBondContact O-CG 3.41Å; I731-R735 PolarHBondContact O-N 3.39Å; I733-R735 VanDerWaalsContact C-N 3.27Å; I733-R735 PolarHBondContact O-N 3.06Å
736K78.7Confident76.5Confident173 Ų17372.1 Ų72.175%0.75236%0.356SS*.Hα-helixtrans-78.6-27.2175.5-74.7170.2-174.7170.80113D732 I733D732-K736 WeakPolarHBondContact O-CB 3.46Å; D732-K736 WeakPolarHBondContact O-CD 3.14Å; D732-K736 WeakPolarHBondContact O-CG 3.13Å; D732-K736 PolarHBondContact O-N 3.26Å; I733-K736 CarbonylContact O-C 3.6Å; I733-K736 PolarHBondContact O-N 2.99Å; I733-K736 VanDerWaalsContact O-N 3.08Å
737L77.4Confident76.3Confident27 Ų2773.5 Ų73.514%0.14136%0.363CS..SBendtrans-70.4140.6174.3-72168.1000111I733 E741 P744 L745I733-L737 HydrophobicContact CG2-CD1 3.52Å; I733-L737 HydrophobicContact CG2-CG 3.97Å; I733-L737 WeakPolarHBondContact O-CB 3.22Å; I733-L737 WeakPolarHBondContact O-CG 3.39Å; I733-L737 PolarHBondContact O-N 3.25Å; L737-E741 WeakPolarHBondContact CA-OE2 3.48Å; L737-E741 WeakPolarHBondContact CD2-OE2 3.47Å; L737-P744 HydrophobicContact CD1-CB 3.7Å; L737-P744 HydrophobicContact CD2-CB 3.97Å; L737-P744 HydrophobicContact CG-CB 4.47Å; L737-L745 HydrophobicContact CB-CD2 4.07Å; L737-L745 HydrophobicContact CB-CG 4.34Å
738D74.6Confident76.7Confident103 Ų10373 Ų7355%0.55136%0.359SS*.  trans-83.8154.2-177-171.315000112.2A740 E741 L745D738-A740 PolarHBondContact O-N 3.32Å; D738-E741 PolarHBondContact N-OE2 3.04Å; D738-E741 WeakPolarHBondContact O-CB 3.24Å; D738-E741 PolarHBondContact O-N 3.37Å; D738-L745 WeakPolarHBondContact O-CD1 3.48Å
739K72.2Confident76.7Confident150 Ų15067.7 Ų67.765%0.65233%0.33SS*.THydrogen-bonded Turntrans-58.1-22.5178.5-169.8178.5-179.3-179.70112.7
740A68.9Low76.8Confident83 Ų8372.2 Ų72.269%0.68635%0.352SS*.THydrogen-bonded Turntrans-75.2-24.717500000113.6D738 R742D738-A740 PolarHBondContact O-N 3.32Å; A740-R742 PolarHBondContact O-N 2.91Å
741E73.5Confident76.8Confident87 Ų8772.7 Ų72.741%0.40736%0.355SS..  trans-80.961.9-179.9-64.1-176.1109.800111.3L737 D738 E743 P744 L745L737-E741 WeakPolarHBondContact CA-OE2 3.48Å; L737-E741 WeakPolarHBondContact CD2-OE2 3.47Å; D738-E741 PolarHBondContact N-OE2 3.04Å; D738-E741 WeakPolarHBondContact O-CB 3.24Å; D738-E741 PolarHBondContact O-N 3.37Å; E741-E743 VanDerWaalsContact C-N 3.27Å; E741-E743 PolarHBondContact O-N 2.7Å; E741-P744 HydrophobicContact CB-CG 4.21Å; E741-P744 WeakPolarHBondContact O-CD 3.16Å; E741-L745 VanDerWaalsContact O-CB 3.29Å; E741-L745 WeakPolarHBondContact O-CB 3.4Å; E741-L745 WeakPolarHBondContact O-CG 3.44Å; E741-L745 PolarHBondContact O-N 3.03Å
742R72.3Confident76.8Confident193 Ų19372.4 Ų72.473%0.72835%0.353SS*.Hα-helixtrans-58.5-32.6-177-89.7-171.3170130.8-4.6113.8A740 A746A740-R742 PolarHBondContact O-N 2.91Å; R742-A746 WeakPolarHBondContact O-CA 3.18Å; R742-A746 WeakPolarHBondContact O-CB 3.33Å; R742-A746 PolarHBondContact O-N 3.43Å
743E75.3Confident76.6Confident129 Ų12971.8 Ų71.860%0.60335%0.347SS*.Hα-helixtrans-73.5-51.5-178.7-175.9-164.6163.700112.2E741 L745 A746 K747E741-E743 VanDerWaalsContact C-N 3.27Å; E741-E743 PolarHBondContact O-N 2.7Å; E743-L745 VanDerWaalsContact C-N 3.34Å; E743-L745 PolarHBondContact O-N 2.88Å; E743-A746 PolarHBondContact O-N 2.9Å; E743-K747 HydrophobicContact CG-CD 4.47Å; E743-K747 WeakPolarHBondContact O-CB 3.3Å; E743-K747 WeakPolarHBondContact O-CG 3.42Å; E743-K747 PolarHBondContact O-N 3.37Å; E743-K747 IonicContact OE1-NZ 2.71Å; E743-K747 PolarHBondContact OE1-NZ 3.23Å
744P77.4Confident76.1Confident34 Ų3475.5 Ų75.522%0.22136%0.362CS..Hα-helixtrans-59.1-40.1169.3-26.134.9000113.2I718 L737 E741 K747 C748I718-P744 HydrophobicContact CD1-CB 4.36Å; L737-P744 HydrophobicContact CD1-CB 3.7Å; L737-P744 HydrophobicContact CD2-CB 3.97Å; L737-P744 HydrophobicContact CG-CB 4.47Å; E741-P744 HydrophobicContact CB-CG 4.21Å; E741-P744 WeakPolarHBondContact O-CD 3.16Å; P744-K747 CarbonylContact O-C 3.51Å; P744-K747 PolarHBondContact O-N 3.42Å; P744-C748 WeakPolarHBondContact O-CB 3.43Å; P744-C748 PolarHBondContact O-N 3.35Å; P744-C748 PolarHBondContact O-SG 3.42Å
745L77.1Confident76.1Confident12 Ų1276.7 Ų76.76%0.06337%0.366CS..Hα-helixtrans-69.8-37.3178.5-76.4174.8000113.4L737 D738 E741 E743 C748 A749L737-L745 HydrophobicContact CB-CD2 4.07Å; L737-L745 HydrophobicContact CB-CG 4.34Å; D738-L745 WeakPolarHBondContact O-CD1 3.48Å; E741-L745 VanDerWaalsContact O-CB 3.29Å; E741-L745 WeakPolarHBondContact O-CB 3.4Å; E741-L745 WeakPolarHBondContact O-CG 3.44Å; E741-L745 PolarHBondContact O-N 3.03Å; E743-L745 VanDerWaalsContact C-N 3.34Å; E743-L745 PolarHBondContact O-N 2.88Å; L745-C748 CarbonylContact O-C 3.48Å; L745-C748 PolarHBondContact O-N 2.86Å; L745-A749 WeakPolarHBondContact O-CB 3.2Å; L745-A749 PolarHBondContact O-N 2.99Å
746A76.4Confident75.4Confident47 Ų4778.4 Ų78.439%0.38837%0.373SS..Hα-helixtrans-69.8-36.8172.700000110.9R742 E743 A749 M750R742-A746 WeakPolarHBondContact O-CA 3.18Å; R742-A746 WeakPolarHBondContact O-CB 3.33Å; R742-A746 PolarHBondContact O-N 3.43Å; E743-A746 PolarHBondContact O-N 2.9Å; A746-A749 PolarHBondContact O-N 2.95Å; A746-M750 WeakPolarHBondContact O-CB 3.38Å; A746-M750 PolarHBondContact O-N 2.91Å
747K79.7Confident75.4Confident63 Ų6373.1 Ų73.127%0.27435%0.351SS..Hα-helixtrans-63.5-40.7169.3-77.7175.7174.7164.60111I718 E743 P744 M750 H751I718-K747 HydrophobicContact CG2-CB 4.43Å; E743-K747 HydrophobicContact CG-CD 4.47Å; E743-K747 WeakPolarHBondContact O-CB 3.3Å; E743-K747 WeakPolarHBondContact O-CG 3.42Å; E743-K747 PolarHBondContact O-N 3.37Å; E743-K747 IonicContact OE1-NZ 2.71Å; E743-K747 PolarHBondContact OE1-NZ 3.23Å; P744-K747 CarbonylContact O-C 3.51Å; P744-K747 PolarHBondContact O-N 3.42Å; K747-M750 PolarHBondContact O-N 3.44Å; K747-H751 WeakPolarHBondContact O-CA 3.42Å; K747-H751 WeakPolarHBondContact O-CB 3.26Å; K747-H751 PolarHBondContact O-CD2 3.26Å; K747-H751 VanDerWaalsContact O-CG 3.22Å; K747-H751 PolarHBondContact O-N 3.31Å
748C79.1Confident75.3Confident0 Ų072.9 Ų72.90%035%0.349CS..Hα-helixtrans-64.9-42.3172.8-70.80000111.8A734 P744 L745 H751 F752A734-C748 HydrophobicContact CB-CB 4.09Å; P744-C748 WeakPolarHBondContact O-CB 3.43Å; P744-C748 PolarHBondContact O-N 3.35Å; P744-C748 PolarHBondContact O-SG 3.42Å; L745-C748 CarbonylContact O-C 3.48Å; L745-C748 PolarHBondContact O-N 2.86Å; C748-H751 CarbonylContact O-C 3.48Å; C748-H751 PolarHBondContact O-N 3.45Å; C748-F752 HydrophobicContact CB-CD2 4.4Å; C748-F752 HydrophobicContact CB-CE2 4.08Å; C748-F752 WeakPolarHBondContact O-CB 3.19Å; C748-F752 WeakPolarHBondContact O-CD2 3.48Å; C748-F752 WeakPolarHBondContact O-CG 3.29Å; C748-F752 PolarHBondContact O-N 3.23Å
749A75Confident75.5Confident0 Ų070.7 Ų70.70%035%0.35CS..Hα-helixtrans-66.6-40.9176.200000112.2L745 A746 F752 K753 T764 Y765 M768L745-A749 WeakPolarHBondContact O-CB 3.2Å; L745-A749 PolarHBondContact O-N 2.99Å; A746-A749 PolarHBondContact O-N 2.95Å; A749-F752 PolarHBondContact O-N 3.07Å; A749-K753 VanDerWaalsContact O-CB 3.3Å; A749-K753 WeakPolarHBondContact O-CB 3.5Å; A749-K753 PolarHBondContact O-N 3.07Å; A749-T764 HydrophobicContact CB-CG2 3.77Å; A749-Y765 HydrophobicContact CB-CE1 4.03Å; A749-Y765 HydrophobicContact CB-CE2 4.25Å; A749-M768 HydrophobicContact CB-CE 3.76Å
750M79.9Confident75.8Confident126 Ų12667.8 Ų67.862%0.62134%0.336SS*.Hα-helixtrans-65.1-41.8173.6-178.3-179.2179.100111A746 K747 K753 K754A746-M750 WeakPolarHBondContact O-CB 3.38Å; A746-M750 PolarHBondContact O-N 2.91Å; K747-M750 PolarHBondContact O-N 3.44Å; M750-K753 WeakPolarHBondContact O-CB 3.39Å; M750-K753 PolarHBondContact O-N 3.35Å; M750-K754 VanDerWaalsContact O-CB 3.25Å; M750-K754 WeakPolarHBondContact O-CB 3.41Å; M750-K754 PolarHBondContact O-N 3.4Å
751H80.3Confident76.4Confident10 Ų1063.8 Ų63.85%0.04630%0.303CS..Hα-helixtrans-70.8-37.7174.4-74.3-55.7000110.8D719 L730 K747 C748 K753 K754 L755D719-H751 IonicContact OD1-CE1 2.72Å; D719-H751 IonicContact OD1-NE2 3.7Å; D719-H751 PolarHBondContact OD1-NE2 2.92Å; L730-H751 HydrophobicContact CD2-CB 3.94Å; K747-H751 WeakPolarHBondContact O-CA 3.42Å; K747-H751 WeakPolarHBondContact O-CB 3.26Å; K747-H751 PolarHBondContact O-CD2 3.26Å; K747-H751 VanDerWaalsContact O-CG 3.22Å; K747-H751 PolarHBondContact O-N 3.31Å; C748-H751 CarbonylContact O-C 3.48Å; C748-H751 PolarHBondContact O-N 3.45Å; H751-K753 VanDerWaalsContact C-N 3.31Å; H751-K753 PolarHBondContact O-N 3.19Å; H751-K754 CarbonylContact O-C 3.56Å; H751-K754 WeakPolarHBondContact O-CB 3.44Å; H751-K754 PolarHBondContact O-N 3.14Å; H751-K754 VanDerWaalsContact O-N 3.16Å; H751-L755 WeakPolarHBondContact O-CA 3.44Å; H751-L755 WeakPolarHBondContact O-CB 3.49Å; H751-L755 WeakPolarHBondContact O-CG 3.23Å; H751-L755 PolarHBondContact O-N 3.29Å
752F81.2Confident76.5Confident3 Ų361 Ų611%0.01329%0.294CS..Hα-helixtrans-63.4-37.6171.5-71-48000111.5L730 I731 A734 C748 A749 R756 H757 A761L730-F752 HydrophobicContact CB-CE1 3.96Å; L730-F752 HydrophobicContact CB-CZ 4.27Å; L730-F752 HydrophobicContact CD2-CD1 3.74Å; L730-F752 HydrophobicContact CD2-CE1 3.58Å; L730-F752 HydrophobicContact CD2-CG 4.41Å; L730-F752 HydrophobicContact CD2-CZ 4.14Å; L730-F752 HydrophobicContact CG-CD1 4.39Å; L730-F752 HydrophobicContact CG-CE1 3.75Å; L730-F752 HydrophobicContact CG-CZ 3.9Å; I731-F752 HydrophobicContact CG1-CE1 3.88Å; I731-F752 HydrophobicContact CG1-CZ 3.95Å; A734-F752 HydrophobicContact CB-CE2 3.75Å; A734-F752 HydrophobicContact CB-CZ 3.87Å; C748-F752 HydrophobicContact CB-CD2 4.4Å; C748-F752 HydrophobicContact CB-CE2 4.08Å; C748-F752 WeakPolarHBondContact O-CB 3.19Å; C748-F752 WeakPolarHBondContact O-CD2 3.48Å; C748-F752 WeakPolarHBondContact O-CG 3.29Å; C748-F752 PolarHBondContact O-N 3.23Å; A749-F752 PolarHBondContact O-N 3.07Å; F752-R756 PolarHBondContact O-N 3.15Å; F752-R756 VanDerWaalsContact O-N 3.08Å; F752-H757 HydrophobicContact CB-CB 4.46Å; F752-H757 HydrophobicContact CD1-CB 4.06Å; F752-H757 PolarHBondContact O-N 3.29Å; F752-A761 HydrophobicContact CB-CB 3.73Å
753K73.6Confident76.9Confident65 Ų6556.8 Ų56.828%0.28328%0.282SS..Hα-helixtrans-65-44170.8-179.5171.2-174.71780111.5A749 M750 H751 R756 L777 D780A749-K753 VanDerWaalsContact O-CB 3.3Å; A749-K753 WeakPolarHBondContact O-CB 3.5Å; A749-K753 PolarHBondContact O-N 3.07Å; M750-K753 WeakPolarHBondContact O-CB 3.39Å; M750-K753 PolarHBondContact O-N 3.35Å; H751-K753 VanDerWaalsContact C-N 3.31Å; H751-K753 PolarHBondContact O-N 3.19Å; K753-R756 PolarHBondContact O-N 3.16Å; K753-L777 HydrophobicContact CB-CD1 3.88Å; K753-L777 HydrophobicContact CD-CD1 3.61Å; K753-L777 HydrophobicContact CG-CD1 3.47Å; K753-L777 VanDerWaalsContact CG-CD1 3.47Å; K753-D780 WeakPolarHBondContact CE-OD2 3.4Å; K753-D780 IonicContact NZ-OD2 2.74Å; K753-D780 PolarHBondContact NZ-OD2 2.99Å
754K69.6Low77.1Confident115 Ų11551.4 Ų51.450%0.526%0.258SS..Hα-helixtrans-65.9-36.3176.2-170-178.8178.8-176.20112.3M750 H751 R756M750-K754 VanDerWaalsContact O-CB 3.25Å; M750-K754 WeakPolarHBondContact O-CB 3.41Å; M750-K754 PolarHBondContact O-N 3.4Å; H751-K754 CarbonylContact O-C 3.56Å; H751-K754 WeakPolarHBondContact O-CB 3.44Å; H751-K754 PolarHBondContact O-N 3.14Å; H751-K754 VanDerWaalsContact O-N 3.16Å; K754-R756 VanDerWaalsContact C-N 3.32Å
755L76.3Confident77.3Confident33 Ų3351.4 Ų51.417%0.17325%0.253CS..THydrogen-bonded Turntrans-89.22.6-178.2-68.1176.1000113.8G722 G725 L730 H751 H757G722-L755 WeakPolarHBondContact O-CD1 3.42Å; G722-L755 WeakPolarHBondContact O-CD2 3.46Å; G722-L755 WeakPolarHBondContact O-CG 3.26Å; G725-L755 VanDerWaalsContact N-CD2 3.33Å; L730-L755 HydrophobicContact CD2-CD1 3.59Å; H751-L755 WeakPolarHBondContact O-CA 3.44Å; H751-L755 WeakPolarHBondContact O-CB 3.49Å; H751-L755 WeakPolarHBondContact O-CG 3.23Å; H751-L755 PolarHBondContact O-N 3.29Å; L755-H757 PolarHBondContact O-CD2 3.42Å; L755-H757 PolarHBondContact O-N 3.37Å
756R65.1Low77.4Confident193 Ų19354.9 Ų54.973%0.72828%0.279SS*.THydrogen-bonded Turntrans6220.6177.6-55.6-172-177.3-1691115.9F752 K753 K754 H758F752-R756 PolarHBondContact O-N 3.15Å; F752-R756 VanDerWaalsContact O-N 3.08Å; K753-R756 PolarHBondContact O-N 3.16Å; K754-R756 VanDerWaalsContact C-N 3.32Å; R756-H758 WeakPolarHBondContact CA-CE1 3.44Å; R756-H758 VanDerWaalsContact CA-NE2 3.33Å; R756-H758 WeakPolarHBondContact CA-NE2 3.09Å; R756-H758 VanDerWaalsContact CB-NE2 3.32Å; R756-H758 WeakPolarHBondContact CB-NE2 3.37Å; R756-H758 PolarHBondContact O-CD2 3.34Å; R756-H758 PolarHBondContact O-N 2.98Å; R756-H758 PolarHBondContact O-NE2 3.32Å
757H78.6Confident77.4Confident63 Ų6357.9 Ų57.929%0.29228%0.283SS..  trans-84.667.1171.2-76.5-60.9000109.7A727 F752 L755 G759 Y760 A761A727-H757 VanDerWaalsContact CB-NE2 3.33Å; A727-H757 WeakPolarHBondContact CB-NE2 3.18Å; F752-H757 HydrophobicContact CB-CB 4.46Å; F752-H757 HydrophobicContact CD1-CB 4.06Å; F752-H757 PolarHBondContact O-N 3.29Å; L755-H757 PolarHBondContact O-CD2 3.42Å; L755-H757 PolarHBondContact O-N 3.37Å; H757-G759 VanDerWaalsContact C-N 3.34Å; H757-G759 PolarHBondContact O-N 3.26Å; H757-Y760 HydrophobicContact CB-CD2 4.05Å; H757-Y760 PolarHBondContact O-N 3.29Å; H757-Y760 VanDerWaalsContact O-N 3.17Å; H757-A761 WeakPolarHBondContact O-CB 3.32Å; H757-A761 PolarHBondContact O-N 3.3Å
758H76.1Confident77.2Confident22 Ų2258.4 Ų58.410%0.10229%0.288CS..Hα-helixtrans-66.7-31.7-168.3-53.3-56000113.6R756 S762 T781 H783R756-H758 WeakPolarHBondContact CA-CE1 3.44Å; R756-H758 VanDerWaalsContact CA-NE2 3.33Å; R756-H758 WeakPolarHBondContact CA-NE2 3.09Å; R756-H758 VanDerWaalsContact CB-NE2 3.32Å; R756-H758 WeakPolarHBondContact CB-NE2 3.37Å; R756-H758 PolarHBondContact O-CD2 3.34Å; R756-H758 PolarHBondContact O-N 2.98Å; R756-H758 PolarHBondContact O-NE2 3.32Å; H758-S762 WeakPolarHBondContact O-CA 3.31Å; H758-S762 WeakPolarHBondContact O-CB 3.44Å; H758-S762 PolarHBondContact O-N 3.38Å; H758-T781 WeakPolarHBondContact CE1-CB 3.19Å; H758-T781 WeakPolarHBondContact CE1-CG2 3.06Å; H758-T781 WeakPolarHBondContact ND1-CB 3.35Å; H758-T781 WeakPolarHBondContact ND1-CG2 3.22Å; H758-H783 AromaticContact CD2-CE1 3Å; H758-H783 PolarHBondContact CD2-CE1 3.03Å; H758-H783 AromaticContact CD2-ND1 3.69Å; H758-H783 AromaticContact CD2-NE2 3.76Å; H758-H783 AromaticContact CG-CE1 3.78Å; H758-H783 AromaticContact NE2-CE1 3.57Å
759G77.3Confident77Confident56 Ų5661.3 Ų61.358%0.57732%0.318SS*.Hα-helixtrans-63.7-44172.200000112.4H757 S762 E763H757-G759 VanDerWaalsContact C-N 3.34Å; H757-G759 PolarHBondContact O-N 3.26Å; G759-S762 PolarHBondContact O-N 3.4Å; G759-E763 VanDerWaalsContact O-CB 3.32Å; G759-E763 WeakPolarHBondContact O-CB 3.47Å; G759-E763 PolarHBondContact O-N 2.64Å
760Y79.4Confident77.2Confident89 Ų8964.9 Ų64.935%0.34934%0.337SS..Hα-helixtrans-75.1-33.9176.9-62.7-64.8000112.3I731 H757 E763 T764I731-Y760 HydrophobicContact CD1-CD1 4.23Å; I731-Y760 HydrophobicContact CD1-CD2 3.83Å; I731-Y760 HydrophobicContact CD1-CE1 4Å; I731-Y760 HydrophobicContact CD1-CE2 3.57Å; I731-Y760 HydrophobicContact CD1-CG 4.15Å; I731-Y760 HydrophobicContact CG1-CD1 4.34Å; I731-Y760 HydrophobicContact CG1-CD2 4.4Å; I731-Y760 HydrophobicContact CG1-CE1 4.49Å; I731-Y760 HydrophobicContact CG1-CG 4.29Å; H757-Y760 HydrophobicContact CB-CD2 4.05Å; H757-Y760 PolarHBondContact O-N 3.29Å; H757-Y760 VanDerWaalsContact O-N 3.17Å; Y760-E763 PolarHBondContact O-N 3.31Å; Y760-T764 VanDerWaalsContact O-CB 3.26Å; Y760-T764 WeakPolarHBondContact O-CB 3.23Å; Y760-T764 PolarHBondContact O-N 3.25Å; Y760-T764 PolarHBondContact O-OG1 2.96Å
761A80.5Confident77Confident0 Ų065.4 Ų65.40%034%0.341CS..Hα-helixtrans-63.8-45.1169.800000110.6F752 H757 T764 Y765 L777F752-A761 HydrophobicContact CB-CB 3.73Å; H757-A761 WeakPolarHBondContact O-CB 3.32Å; H757-A761 PolarHBondContact O-N 3.3Å; A761-T764 CarbonylContact O-C 3.55Å; A761-T764 PolarHBondContact O-N 3.38Å; A761-Y765 HydrophobicContact CB-CD2 4.27Å; A761-Y765 HydrophobicContact CB-CE2 4.21Å; A761-Y765 WeakPolarHBondContact O-CB 3.23Å; A761-Y765 WeakPolarHBondContact O-CD2 3.37Å; A761-Y765 PolarHBondContact O-N 3.04Å; A761-L777 HydrophobicContact CB-CD1 4.32Å; A761-L777 HydrophobicContact CB-CD2 3.84Å
762S77.3Confident76.9Confident29 Ų2973 Ų7320%0.20338%0.375CS..Hα-helixtrans-61.9-43.1174.6175.20000111.4H758 G759 T764 Y765 S766 L774H758-S762 WeakPolarHBondContact O-CA 3.31Å; H758-S762 WeakPolarHBondContact O-CB 3.44Å; H758-S762 PolarHBondContact O-N 3.38Å; G759-S762 PolarHBondContact O-N 3.4Å; S762-T764 VanDerWaalsContact C-N 3.34Å; S762-T764 PolarHBondContact O-N 3.2Å; S762-Y765 PolarHBondContact O-N 2.9Å; S762-S766 WeakPolarHBondContact O-CA 3.32Å; S762-S766 WeakPolarHBondContact O-CB 3.39Å; S762-S766 PolarHBondContact O-N 3.18Å; S762-L774 VanDerWaalsContact OG-CD1 3.23Å; S762-L774 WeakPolarHBondContact OG-CD1 3.48Å
763E79.6Confident76.7Confident104 Ų10474 Ų7449%0.48638%0.383SS..Hα-helixtrans-62.7-40.9172.9-170.2-175.4176.500111.1G759 Y760 K767G759-E763 VanDerWaalsContact O-CB 3.32Å; G759-E763 WeakPolarHBondContact O-CB 3.47Å; G759-E763 PolarHBondContact O-N 2.64Å; Y760-E763 PolarHBondContact O-N 3.31Å; E763-K767 WeakPolarHBondContact O-CB 3.35Å; E763-K767 PolarHBondContact O-N 3.2Å
764T79.9Confident77.1Confident15 Ų1572 Ų729%0.09238%0.375CS..Hα-helixtrans-70.4-42.7178.3-50.50000111.2A749 Y760 A761 S762 K767 M768A749-T764 HydrophobicContact CB-CG2 3.77Å; Y760-T764 VanDerWaalsContact O-CB 3.26Å; Y760-T764 WeakPolarHBondContact O-CB 3.23Å; Y760-T764 PolarHBondContact O-N 3.25Å; Y760-T764 PolarHBondContact O-OG1 2.96Å; A761-T764 CarbonylContact O-C 3.55Å; A761-T764 PolarHBondContact O-N 3.38Å; S762-T764 VanDerWaalsContact C-N 3.34Å; S762-T764 PolarHBondContact O-N 3.2Å; T764-K767 PolarHBondContact O-N 3.19Å; T764-M768 HydrophobicContact CG2-CE 4.22Å; T764-M768 WeakPolarHBondContact O-CB 3.31Å; T764-M768 WeakPolarHBondContact O-CG 3.43Å; T764-M768 PolarHBondContact O-N 3.37Å
765Y81.5Confident77.5Confident34 Ų3467.3 Ų67.313%0.13336%0.356CS..Hα-helixtrans-69.2-33.3175.1-74.3-60.8000112.2A749 A761 S762 M768 G769 D770 A773 L777A749-Y765 HydrophobicContact CB-CE1 4.03Å; A749-Y765 HydrophobicContact CB-CE2 4.25Å; A761-Y765 HydrophobicContact CB-CD2 4.27Å; A761-Y765 HydrophobicContact CB-CE2 4.21Å; A761-Y765 WeakPolarHBondContact O-CB 3.23Å; A761-Y765 WeakPolarHBondContact O-CD2 3.37Å; A761-Y765 PolarHBondContact O-N 3.04Å; S762-Y765 PolarHBondContact O-N 2.9Å; Y765-M768 HydrophobicContact CD1-CE 3.27Å; Y765-M768 HydrophobicContact CE1-CE 3.62Å; Y765-M768 HydrophobicContact CG-CE 4.04Å; Y765-M768 CarbonylContact O-C 3.55Å; Y765-M768 PolarHBondContact O-N 3.38Å; Y765-G769 PolarHBondContact O-N 3.11Å; Y765-D770 PolarHBondContact O-N 3.47Å; Y765-A773 HydrophobicContact CD1-CB 4.05Å; Y765-A773 HydrophobicContact CE1-CB 4.24Å; Y765-L777 HydrophobicContact CD2-CD2 4.04Å; Y765-L777 HydrophobicContact CE2-CD1 4.3Å; Y765-L777 HydrophobicContact CE2-CD2 4.36Å
766S78.5Confident77.6Confident86 Ų8670.1 Ų70.160%0.60137%0.368SS*.Hα-helixtrans-70.6-41.3171.7-176.10000111.5S762 M768 G769S762-S766 WeakPolarHBondContact O-CA 3.32Å; S762-S766 WeakPolarHBondContact O-CB 3.39Å; S762-S766 PolarHBondContact O-N 3.18Å; S766-M768 PolarHBondContact O-N 3.32Å; S766-G769 PolarHBondContact O-N 3.1Å
767K76.3Confident78.5Confident109 Ų10960.9 Ų60.947%0.47433%0.334SS..Hα-helixtrans-63-27.7171.5-171.5177.6-178.9-174.40112.1E763 T764E763-K767 WeakPolarHBondContact O-CB 3.35Å; E763-K767 PolarHBondContact O-N 3.2Å; T764-K767 PolarHBondContact O-N 3.19Å
768M75.7Confident78.6Confident74 Ų7458.5 Ų58.537%0.36532%0.323SS..Hα-helixtrans-86.5-23.2171.4-69.3-174.2-5900113.9A749 T764 Y765 S766A749-M768 HydrophobicContact CB-CE 3.76Å; T764-M768 HydrophobicContact CG2-CE 4.22Å; T764-M768 WeakPolarHBondContact O-CB 3.31Å; T764-M768 WeakPolarHBondContact O-CG 3.43Å; T764-M768 PolarHBondContact O-N 3.37Å; Y765-M768 HydrophobicContact CD1-CE 3.27Å; Y765-M768 HydrophobicContact CE1-CE 3.62Å; Y765-M768 HydrophobicContact CG-CE 4.04Å; Y765-M768 CarbonylContact O-C 3.55Å; Y765-M768 PolarHBondContact O-N 3.38Å; S766-M768 PolarHBondContact O-N 3.32Å
769G75.1Confident78.9Confident62 Ų6257.8 Ų57.864%0.63932%0.32SS*.THydrogen-bonded Turntrans89.723.9176.900000117.1Y765 S766Y765-G769 PolarHBondContact O-N 3.11Å; S766-G769 PolarHBondContact O-N 3.1Å
770D79.8Confident78.9Confident75 Ų7558.8 Ų58.840%0.40131%0.312SS..  trans-105.994.3-170.9-168.3-17.6000114.1Y765 K772 A773 L774Y765-D770 PolarHBondContact O-N 3.47Å; D770-K772 PolarHBondContact OD1-N 3.26Å; D770-A773 HydrophobicContact CB-CB 4.04Å; D770-A773 WeakPolarHBondContact OD1-CB 3.24Å; D770-A773 PolarHBondContact OD1-N 2.86Å; D770-A773 WeakPolarHBondContact OD2-CB 3.35Å; D770-L774 WeakPolarHBondContact O-CB 3.27Å; D770-L774 PolarHBondContact O-N 2.98Å
771L76Confident78.7Confident136 Ų13655.6 Ų55.671%0.71230%0.301SS*.Hα-helixtrans-71.1-28.2-178.9-69.6172.2000114.2L774 V775L771-L774 HydrophobicContact CD2-CD2 4.32Å; L771-L774 WeakPolarHBondContact O-CB 3.46Å; L771-L774 PolarHBondContact O-N 3.28Å; L771-V775 PolarHBondContact O-N 3.27Å; L771-V775 VanDerWaalsContact O-N 3.09Å
772K77.3Confident78.5Confident171 Ų17161.1 Ų61.174%0.74332%0.322SS*.Hα-helixtrans-75.5-42.9179.8-175.1178.1179.6179.10110.3D770 L774 V775 Q776D770-K772 PolarHBondContact OD1-N 3.26Å; K772-L774 PolarHBondContact O-N 2.85Å; K772-V775 PolarHBondContact O-N 3.5Å; K772-Q776 WeakPolarHBondContact O-CB 3.35Å; K772-Q776 PolarHBondContact O-N 3.41Å
773A77.6Confident78.7Confident22 Ų2263.1 Ų63.118%0.18233%0.328CS..Hα-helixtrans-62.9-29.2171.600000111.9Y765 D770 L777Y765-A773 HydrophobicContact CD1-CB 4.05Å; Y765-A773 HydrophobicContact CE1-CB 4.24Å; D770-A773 HydrophobicContact CB-CB 4.04Å; D770-A773 WeakPolarHBondContact OD1-CB 3.24Å; D770-A773 PolarHBondContact OD1-N 2.86Å; D770-A773 WeakPolarHBondContact OD2-CB 3.35Å; A773-L777 WeakPolarHBondContact O-CB 3.39Å; A773-L777 PolarHBondContact O-N 3.1Å
774L80.9Confident78.9Confident24 Ų2459.5 Ų59.513%0.12631%0.31CS..Hα-helixtrans-70.7-49176.2-176.264000113.1S762 D770 L771 K772 Q776 L777 H778S762-L774 VanDerWaalsContact OG-CD1 3.23Å; S762-L774 WeakPolarHBondContact OG-CD1 3.48Å; D770-L774 WeakPolarHBondContact O-CB 3.27Å; D770-L774 PolarHBondContact O-N 2.98Å; L771-L774 HydrophobicContact CD2-CD2 4.32Å; L771-L774 WeakPolarHBondContact O-CB 3.46Å; L771-L774 PolarHBondContact O-N 3.28Å; K772-L774 PolarHBondContact O-N 2.85Å; L774-Q776 VanDerWaalsContact C-N 3.33Å; L774-Q776 PolarHBondContact O-N 3.35Å; L774-L777 HydrophobicContact CD1-CD2 4.47Å; L774-L777 WeakPolarHBondContact O-CB 3.23Å; L774-L777 PolarHBondContact O-N 3.5Å; L774-L777 VanDerWaalsContact O-N 3.16Å; L774-H778 WeakPolarHBondContact CD1-NE2 3.47Å; L774-H778 PolarHBondContact O-CD2 3.45Å; L774-H778 PolarHBondContact O-N 2.07Å
775V79.1Confident78.8Confident17 Ų1766.4 Ų66.410%0.10334%0.341CS..Hα-helixtrans-61.1-45.4175173.90000110.4L771 K772 L777 H778 V779 F797L771-V775 PolarHBondContact O-N 3.27Å; L771-V775 VanDerWaalsContact O-N 3.09Å; K772-V775 PolarHBondContact O-N 3.5Å; V775-L777 VanDerWaalsContact C-N 3.28Å; V775-L777 PolarHBondContact O-N 3.41Å; V775-H778 PolarHBondContact O-N 2.99Å; V775-V779 WeakPolarHBondContact O-CG2 3.2Å; V775-V779 PolarHBondContact O-N 3.37Å; V775-F797 HydrophobicContact CG1-CB 4.43Å; V775-F797 HydrophobicContact CG1-CD1 4.32Å; V775-F797 HydrophobicContact CG1-CG 4.27Å; V775-F797 HydrophobicContact CG2-CD2 4.36Å; V775-F797 HydrophobicContact CG2-CE2 4.28Å
776Q79.2Confident78.7Confident91 Ų9169.1 Ų69.143%0.42536%0.355SS..Hα-helixtrans-63-34.7175.7-167.465.84000111.9K772 L774 V779 D780K772-Q776 WeakPolarHBondContact O-CB 3.35Å; K772-Q776 PolarHBondContact O-N 3.41Å; L774-Q776 VanDerWaalsContact C-N 3.33Å; L774-Q776 PolarHBondContact O-N 3.35Å; Q776-V779 PolarHBondContact O-N 2.95Å; Q776-D780 PolarHBondContact NE2-OD1 3.49Å; Q776-D780 WeakPolarHBondContact O-CB 3.41Å; Q776-D780 PolarHBondContact O-N 3.16Å
777L82.8Confident78.7Confident0 Ų065.1 Ų65.10%033%0.327CS..Hα-helixtrans-61.6-51.5172.8-17975.9000110K753 A761 Y765 A773 L774 V775 V779 D780 T781K753-L777 HydrophobicContact CB-CD1 3.88Å; K753-L777 HydrophobicContact CD-CD1 3.61Å; K753-L777 HydrophobicContact CG-CD1 3.47Å; K753-L777 VanDerWaalsContact CG-CD1 3.47Å; A761-L777 HydrophobicContact CB-CD1 4.32Å; A761-L777 HydrophobicContact CB-CD2 3.84Å; Y765-L777 HydrophobicContact CD2-CD2 4.04Å; Y765-L777 HydrophobicContact CE2-CD1 4.3Å; Y765-L777 HydrophobicContact CE2-CD2 4.36Å; A773-L777 WeakPolarHBondContact O-CB 3.39Å; A773-L777 PolarHBondContact O-N 3.1Å; L774-L777 HydrophobicContact CD1-CD2 4.47Å; L774-L777 WeakPolarHBondContact O-CB 3.23Å; L774-L777 PolarHBondContact O-N 3.5Å; L774-L777 VanDerWaalsContact O-N 3.16Å; V775-L777 VanDerWaalsContact C-N 3.28Å; V775-L777 PolarHBondContact O-N 3.41Å; L777-V779 VanDerWaalsContact C-N 3.27Å; L777-V779 PolarHBondContact O-N 3.22Å; L777-D780 PolarHBondContact O-N 2.74Å; L777-T781 HydrophobicContact CD1-CG2 3.67Å; L777-T781 HydrophobicContact CG-CG2 4.01Å; L777-T781 WeakPolarHBondContact O-CB 3.44Å; L777-T781 WeakPolarHBondContact O-CG2 3.27Å; L777-T781 PolarHBondContact O-N 3.45Å; L777-T781 PolarHBondContact O-OG1 3.44Å
778H81.6Confident79Confident13 Ų1362.4 Ų62.46%0.0632%0.316CS..Hα-helixtrans-61.9-34.6180-67.5-70.9000112.7L774 V775 T781 R782 H783 E786 A787 L790L774-H778 WeakPolarHBondContact CD1-NE2 3.47Å; L774-H778 PolarHBondContact O-CD2 3.45Å; L774-H778 PolarHBondContact O-N 2.07Å; V775-H778 PolarHBondContact O-N 2.99Å; H778-T781 WeakPolarHBondContact CA-OG1 3.47Å; H778-T781 PolarHBondContact O-OG1 3.18Å; H778-R782 PolarHBondContact O-N 2.91Å; H778-H783 PolarHBondContact O-N 3.42Å; H778-E786 IonicContact CE1-OE2 3.92Å; H778-E786 PolarHBondContact CE1-OE2 3.28Å; H778-E786 IonicContact ND1-OE2 2.74Å; H778-E786 PolarHBondContact ND1-OE2 3.05Å; H778-A787 HydrophobicContact CB-CB 4.1Å; H778-L790 VanDerWaalsContact CD2-CD1 3.48Å; H778-L790 WeakPolarHBondContact CD2-CD1 3.49Å
779V81.6Confident79.2Confident7 Ų763.5 Ų63.54%0.04232%0.322CS..Hα-helixtrans-69.7-52174.2174.70000112.2V775 Q776 L777 T781 R782 W784 V801 P804V775-V779 WeakPolarHBondContact O-CG2 3.2Å; V775-V779 PolarHBondContact O-N 3.37Å; Q776-V779 PolarHBondContact O-N 2.95Å; L777-V779 VanDerWaalsContact C-N 3.27Å; L777-V779 PolarHBondContact O-N 3.22Å; V779-T781 PolarHBondContact O-N 3.44Å; V779-R782 PolarHBondContact O-N 3Å; V779-R782 VanDerWaalsContact O-N 3.07Å; V779-W784 HydrophobicContact CG1-CH2 4.37Å; V779-W784 HydrophobicContact CG1-CZ3 4.17Å; V779-V801 HydrophobicContact CG2-CB 4.39Å; V779-V801 HydrophobicContact CG2-CG2 3.74Å; V779-P804 HydrophobicContact CG1-CB 3.87Å; V779-P804 HydrophobicContact CG1-CG 4.11Å
780D76.4Confident79.3Confident77 Ų7762.6 Ų62.641%0.41230%0.303SS..Hα-helixtrans-60.3-32.4178.5-70.3-11.7000111.7K753 Q776 L777K753-D780 WeakPolarHBondContact CE-OD2 3.4Å; K753-D780 IonicContact NZ-OD2 2.74Å; K753-D780 PolarHBondContact NZ-OD2 2.99Å; Q776-D780 PolarHBondContact NE2-OD1 3.49Å; Q776-D780 WeakPolarHBondContact O-CB 3.41Å; Q776-D780 PolarHBondContact O-N 3.16Å; L777-D780 PolarHBondContact O-N 2.74Å
781T77.1Confident79.2Confident21 Ų2159.2 Ų59.213%0.12929%0.285CS..THydrogen-bonded Turntrans-95.20.2-176.5690000112.3H758 L777 H778 V779 H783H758-T781 WeakPolarHBondContact CE1-CB 3.19Å; H758-T781 WeakPolarHBondContact CE1-CG2 3.06Å; H758-T781 WeakPolarHBondContact ND1-CB 3.35Å; H758-T781 WeakPolarHBondContact ND1-CG2 3.22Å; L777-T781 HydrophobicContact CD1-CG2 3.67Å; L777-T781 HydrophobicContact CG-CG2 4.01Å; L777-T781 WeakPolarHBondContact O-CB 3.44Å; L777-T781 WeakPolarHBondContact O-CG2 3.27Å; L777-T781 PolarHBondContact O-N 3.45Å; L777-T781 PolarHBondContact O-OG1 3.44Å; H778-T781 WeakPolarHBondContact CA-OG1 3.47Å; H778-T781 PolarHBondContact O-OG1 3.18Å; V779-T781 PolarHBondContact O-N 3.44Å; T781-H783 PolarHBondContact O-CE1 2.93Å; T781-H783 PolarHBondContact O-N 2.91Å; T781-H783 VanDerWaalsContact O-N 3.16Å; T781-H783 PolarHBondContact O-ND1 3.03Å; T781-H783 PolarHBondContact OG1-ND1 2.92Å
782R76.1Confident79.4Confident117 Ų11759.8 Ų59.844%0.44228%0.284SS..THydrogen-bonded Turntrans59.926.3171.6-52.8178.1-175.7168.8-6112.9H778 V779 W784 W808H778-R782 PolarHBondContact O-N 2.91Å; V779-R782 PolarHBondContact O-N 3Å; V779-R782 VanDerWaalsContact O-N 3.07Å; R782-W784 HydrophobicContact CB-CZ2 3.86Å; R782-W784 HydrophobicContact CG-CZ2 3.7Å; R782-W784 PolarHBondContact O-N 3.37Å; R782-W784 PolarHBondContact O-NE1 2.94Å; R782-W808 VanDerWaalsContact NH2-CD1 3.29Å
783H81.8Confident79.4Confident71 Ų7159.1 Ų59.133%0.32928%0.281SS..  trans-78.966.9170.2-71.174.8000108H758 H778 T781 E785 E786 A787H758-H783 AromaticContact CD2-CE1 3Å; H758-H783 PolarHBondContact CD2-CE1 3.03Å; H758-H783 AromaticContact CD2-ND1 3.69Å; H758-H783 AromaticContact CD2-NE2 3.76Å; H758-H783 AromaticContact CG-CE1 3.78Å; H758-H783 AromaticContact NE2-CE1 3.57Å; H778-H783 PolarHBondContact O-N 3.42Å; T781-H783 PolarHBondContact O-CE1 2.93Å; T781-H783 PolarHBondContact O-N 2.91Å; T781-H783 VanDerWaalsContact O-N 3.16Å; T781-H783 PolarHBondContact O-ND1 3.03Å; T781-H783 PolarHBondContact OG1-ND1 2.92Å; H783-E785 VanDerWaalsContact C-N 3.26Å; H783-E785 PolarHBondContact O-N 3.04Å; H783-E786 HydrophobicContact CB-CB 4.38Å; H783-E786 PolarHBondContact O-N 3.05Å; H783-A787 WeakPolarHBondContact O-CB 3.23Å; H783-A787 PolarHBondContact O-N 3.47Å
784W81.9Confident79.4Confident27 Ų2762.5 Ų62.510%0.10229%0.293CS..Hα-helixtrans-62.1-33.6-169.6-55.5115.1000112V779 R782 A787 F788 V801 P804 Y805 W808V779-W784 HydrophobicContact CG1-CH2 4.37Å; V779-W784 HydrophobicContact CG1-CZ3 4.17Å; R782-W784 HydrophobicContact CB-CZ2 3.86Å; R782-W784 HydrophobicContact CG-CZ2 3.7Å; R782-W784 PolarHBondContact O-N 3.37Å; R782-W784 PolarHBondContact O-NE1 2.94Å; W784-A787 CarbonylContact O-C 3.59Å; W784-A787 PolarHBondContact O-N 3.46Å; W784-F788 HydrophobicContact CB-CD2 4.23Å; W784-F788 HydrophobicContact CB-CE1 4.49Å; W784-F788 HydrophobicContact CB-CE2 3.61Å; W784-F788 HydrophobicContact CB-CZ 3.76Å; W784-F788 VanDerWaalsContact O-CB 3.28Å; W784-F788 WeakPolarHBondContact O-CB 3.27Å; W784-F788 WeakPolarHBondContact O-CD2 3.49Å; W784-F788 WeakPolarHBondContact O-CG 3.43Å; W784-F788 PolarHBondContact O-N 3.3Å; W784-V801 HydrophobicContact CE3-CG1 4Å; W784-V801 HydrophobicContact CZ3-CG1 4.26Å; W784-P804 HydrophobicContact CH2-CB 4.46Å; W784-Y805 AromaticContact CD1-CD2 3.81Å; W784-Y805 AromaticContact CD1-CE2 3.61Å; W784-Y805 AromaticContact CD2-CD2 3.44Å; W784-Y805 HydrophobicContact CD2-CD2 3.44Å; W784-Y805 VanDerWaalsContact CD2-CD2 3.44Å; W784-Y805 HydrophobicContact CD2-CE2 4.02Å; W784-Y805 HydrophobicContact CD2-CG 4.17Å; W784-Y805 AromaticContact CE2-CD2 3.33Å; W784-Y805 AromaticContact CE2-CE2 3.93Å; W784-Y805 AromaticContact CE3-CD2 3.93Å; W784-Y805 HydrophobicContact CE3-CD2 3.93Å; W784-Y805 HydrophobicContact CE3-CG 4.22Å; W784-Y805 AromaticContact CG-CD2 3.79Å; W784-Y805 HydrophobicContact CG-CD2 3.79Å; W784-Y805 AromaticContact CG-CE2 3.86Å; W784-Y805 HydrophobicContact CG-CE2 3.86Å; W784-Y805 HydrophobicContact CH2-CD2 4.21Å; W784-Y805 AromaticContact CZ2-CD2 3.74Å; W784-Y805 HydrophobicContact CZ2-CD2 3.74Å; W784-Y805 HydrophobicContact CZ3-CD2 4.29Å; W784-Y805 HydrophobicContact CZ3-CG 4.42Å; W784-Y805 AromaticContact NE1-CD2 3.51Å; W784-Y805 AromaticContact NE1-CE2 3.61Å; W784-W808 HydrophobicContact CZ2-CB 4.25Å; W784-W808 HydrophobicContact CZ2-CD2 4.27Å; W784-W808 HydrophobicContact CZ2-CE3 4.24Å; W784-W808 HydrophobicContact CZ2-CG 4.25Å; W784-W808 AromaticContact NE1-CE3 3.82Å; W784-W808 AromaticContact NE1-CZ3 3.94Å
785E79.5Confident79.2Confident160 Ų16065.4 Ų65.475%0.74831%0.313SS*.Hα-helixtrans-63.2-46.2176.1-65.3179.9-179.200112.7H783 A787 F788 L789H783-E785 VanDerWaalsContact C-N 3.26Å; H783-E785 PolarHBondContact O-N 3.04Å; E785-A787 VanDerWaalsContact C-N 3.34Å; E785-F788 PolarHBondContact O-N 3.44Å; E785-L789 WeakPolarHBondContact O-CB 3.4Å; E785-L789 VanDerWaalsContact O-CG 3.29Å; E785-L789 WeakPolarHBondContact O-CG 3.37Å; E785-L789 PolarHBondContact O-N 2.88Å
786E77.9Confident79.2Confident91 Ų9171.5 Ų71.543%0.42534%0.34SS..Hα-helixtrans-68.4-36.4175.7-64-176.5157.200111.2H778 H783 L789 L790H778-E786 IonicContact CE1-OE2 3.92Å; H778-E786 PolarHBondContact CE1-OE2 3.28Å; H778-E786 IonicContact ND1-OE2 2.74Å; H778-E786 PolarHBondContact ND1-OE2 3.05Å; H783-E786 HydrophobicContact CB-CB 4.38Å; H783-E786 PolarHBondContact O-N 3.05Å; E786-L789 PolarHBondContact O-N 2.98Å; E786-L790 WeakPolarHBondContact O-CB 3.39Å; E786-L790 VanDerWaalsContact O-CG 3.28Å; E786-L790 WeakPolarHBondContact O-CG 3.32Å; E786-L790 PolarHBondContact O-N 3.29Å
787A79.6Confident79.3Confident2 Ų269.5 Ų69.52%0.01733%0.33CS..Hα-helixtrans-65.3-39.9172.100000111.8H778 H783 W784 E785 L790 V791 V801H778-A787 HydrophobicContact CB-CB 4.1Å; H783-A787 WeakPolarHBondContact O-CB 3.23Å; H783-A787 PolarHBondContact O-N 3.47Å; W784-A787 CarbonylContact O-C 3.59Å; W784-A787 PolarHBondContact O-N 3.46Å; E785-A787 VanDerWaalsContact C-N 3.34Å; A787-L790 PolarHBondContact O-N 2.93Å; A787-V791 WeakPolarHBondContact O-CB 3.36Å; A787-V791 WeakPolarHBondContact O-CG2 3.35Å; A787-V791 PolarHBondContact O-N 3.08Å; A787-V801 HydrophobicContact CB-CG1 3.77Å; A787-V801 HydrophobicContact CB-CG2 4.19Å
788F81.5Confident79Confident53 Ų5375.4 Ų75.423%0.23236%0.356CS..Hα-helixtrans-68-40.2176-63.4-34000110.8W784 E785 L790 V791 E792 V801 F802 Y805W784-F788 HydrophobicContact CB-CD2 4.23Å; W784-F788 HydrophobicContact CB-CE1 4.49Å; W784-F788 HydrophobicContact CB-CE2 3.61Å; W784-F788 HydrophobicContact CB-CZ 3.76Å; W784-F788 VanDerWaalsContact O-CB 3.28Å; W784-F788 WeakPolarHBondContact O-CB 3.27Å; W784-F788 WeakPolarHBondContact O-CD2 3.49Å; W784-F788 WeakPolarHBondContact O-CG 3.43Å; W784-F788 PolarHBondContact O-N 3.3Å; E785-F788 PolarHBondContact O-N 3.44Å; F788-L790 PolarHBondContact O-N 2.99Å; F788-V791 CarbonylContact O-C 3.51Å; F788-V791 PolarHBondContact O-N 2.94Å; F788-E792 WeakPolarHBondContact O-CB 3.45Å; F788-E792 WeakPolarHBondContact O-CG 3.36Å; F788-E792 PolarHBondContact O-N 3.34Å; F788-V801 HydrophobicContact CD1-CG1 3.94Å; F788-V801 HydrophobicContact CE1-CG1 3.78Å; F788-F802 HydrophobicContact CD1-CE1 4.07Å; F788-F802 HydrophobicContact CD1-CE2 4.19Å; F788-F802 AromaticContact CD1-CZ 3.7Å; F788-F802 HydrophobicContact CD1-CZ 3.7Å; F788-F802 AromaticContact CE1-CD1 3.95Å; F788-F802 HydrophobicContact CE1-CD1 3.95Å; F788-F802 AromaticContact CE1-CE1 3.39Å; F788-F802 HydrophobicContact CE1-CE1 3.39Å; F788-F802 HydrophobicContact CE1-CE2 4.18Å; F788-F802 AromaticContact CE1-CZ 3.53Å; F788-F802 HydrophobicContact CE1-CZ 3.53Å; F788-F802 AromaticContact CZ-CE1 3.9Å; F788-F802 HydrophobicContact CZ-CE1 3.9Å; F788-F802 HydrophobicContact CZ-CZ 4.34Å; F788-Y805 HydrophobicContact CZ-CD1 4.29Å; F788-Y805 HydrophobicContact CZ-CE1 4.31Å
789L81.1Confident78.9Confident96 Ų9681 Ų8150%0.50338%0.378SS..Hα-helixtrans-63.1-39.8172.8-73.8169.2000112.2E785 E786 V791 K793E785-L789 WeakPolarHBondContact O-CB 3.4Å; E785-L789 VanDerWaalsContact O-CG 3.29Å; E785-L789 WeakPolarHBondContact O-CG 3.37Å; E785-L789 PolarHBondContact O-N 2.88Å; E786-L789 PolarHBondContact O-N 2.98Å; L789-V791 VanDerWaalsContact C-N 3.35Å; L789-K793 WeakPolarHBondContact O-CG 3.31Å; L789-K793 PolarHBondContact O-N 3.27Å; L789-K793 VanDerWaalsContact O-N 3.12Å
790L76.3Confident78.7Confident43 Ų4384.1 Ų84.123%0.22539%0.394CS..Hα-helixtrans-67.4-36173.5-75.1170.8000111.7H778 E786 A787 F788 K793 H794H778-L790 VanDerWaalsContact CD2-CD1 3.48Å; H778-L790 WeakPolarHBondContact CD2-CD1 3.49Å; E786-L790 WeakPolarHBondContact O-CB 3.39Å; E786-L790 VanDerWaalsContact O-CG 3.28Å; E786-L790 WeakPolarHBondContact O-CG 3.32Å; E786-L790 PolarHBondContact O-N 3.29Å; A787-L790 PolarHBondContact O-N 2.93Å; F788-L790 PolarHBondContact O-N 2.99Å; L790-K793 PolarHBondContact O-N 3.48Å; L790-H794 WeakPolarHBondContact O-CA 3.31Å; L790-H794 WeakPolarHBondContact O-CB 3.39Å; L790-H794 PolarHBondContact O-N 2.96Å
791V78.8Confident78.9Confident5 Ų580.5 Ų80.53%0.0338%0.375CS..Hα-helixtrans-73.2-34.5176.1167.40000112.4A787 F788 L789 K793 H794 P795 F797 K798 V801A787-V791 WeakPolarHBondContact O-CB 3.36Å; A787-V791 WeakPolarHBondContact O-CG2 3.35Å; A787-V791 PolarHBondContact O-N 3.08Å; F788-V791 CarbonylContact O-C 3.51Å; F788-V791 PolarHBondContact O-N 2.94Å; L789-V791 VanDerWaalsContact C-N 3.35Å; V791-K793 VanDerWaalsContact C-N 3.34Å; V791-H794 CarbonylContact O-C 3.59Å; V791-H794 PolarHBondContact O-N 3.32Å; V791-P795 VanDerWaalsContact O-CA 3.27Å; V791-P795 WeakPolarHBondContact O-CA 3.4Å; V791-P795 VanDerWaalsContact O-N 3.12Å; V791-F797 HydrophobicContact CG2-CB 3.98Å; V791-K798 HydrophobicContact CG1-CB 4.13Å; V791-K798 HydrophobicContact CG1-CG 3.34Å; V791-V801 HydrophobicContact CG2-CB 3.92Å; V791-V801 HydrophobicContact CG2-CG2 3.37Å
792E78.8Confident79.2Confident147 Ų14781.1 Ų81.169%0.68738%0.376SS*.Hα-helixtrans-65-39.5172-78.8-179.1172.900111F788F788-E792 WeakPolarHBondContact O-CB 3.45Å; F788-E792 WeakPolarHBondContact O-CG 3.36Å; F788-E792 PolarHBondContact O-N 3.34Å
793K77.4Confident79.5Confident158 Ų15876.1 Ų76.169%0.68736%0.358SS*.Hα-helixtrans-75.1-30.4173.8-70.3177.9-177.7177.40113.2L789 L790 V791L789-K793 WeakPolarHBondContact O-CG 3.31Å; L789-K793 PolarHBondContact O-N 3.27Å; L789-K793 VanDerWaalsContact O-N 3.12Å; L790-K793 PolarHBondContact O-N 3.48Å; V791-K793 VanDerWaalsContact C-N 3.34Å
794H77.4Confident79.6Confident93 Ų9374.8 Ų74.843%0.43136%0.356SS..  trans-134.983.4-177.9-58.9-67.4000111L790 V791 Q796 F797L790-H794 WeakPolarHBondContact O-CA 3.31Å; L790-H794 WeakPolarHBondContact O-CB 3.39Å; L790-H794 PolarHBondContact O-N 2.96Å; V791-H794 CarbonylContact O-C 3.59Å; V791-H794 PolarHBondContact O-N 3.32Å; H794-Q796 HydrophobicContact CB-CG 4.37Å; H794-Q796 PolarHBondContact O-N 3.15Å; H794-F797 HydrophobicContact CB-CD2 3.74Å; H794-F797 HydrophobicContact CB-CE2 3.92Å; H794-F797 PolarHBondContact O-N 2.78Å
795P77.6Confident79.7Confident85 Ų8575.8 Ų75.855%0.55236%0.36SS*.G310 helixtrans-58.9-17.1-174.6-27.535.5000115.6V791 F797 K798V791-P795 VanDerWaalsContact O-CA 3.27Å; V791-P795 WeakPolarHBondContact O-CA 3.4Å; V791-P795 VanDerWaalsContact O-N 3.12Å; P795-F797 PolarHBondContact O-N 2.93Å; P795-K798 PolarHBondContact O-N 3.38Å
796Q80Confident79.7Confident144 Ų14468.2 Ų68.267%0.67333%0.325SS*.G310 helixtrans-60.1-20.4176.966.4-162.522.600114H794H794-Q796 HydrophobicContact CB-CG 4.37Å; H794-Q796 PolarHBondContact O-N 3.15Å
797F79.9Confident79.9Confident49 Ų4968.7 Ų68.722%0.21533%0.327CS..G310 helixtrans-996.9179.7-56.6-66.6000113.9V775 V791 H794 P795 Y799 D800 V801V775-F797 HydrophobicContact CG1-CB 4.43Å; V775-F797 HydrophobicContact CG1-CD1 4.32Å; V775-F797 HydrophobicContact CG1-CG 4.27Å; V775-F797 HydrophobicContact CG2-CD2 4.36Å; V775-F797 HydrophobicContact CG2-CE2 4.28Å; V791-F797 HydrophobicContact CG2-CB 3.98Å; H794-F797 HydrophobicContact CB-CD2 3.74Å; H794-F797 HydrophobicContact CB-CE2 3.92Å; H794-F797 PolarHBondContact O-N 2.78Å; P795-F797 PolarHBondContact O-N 2.93Å; F797-Y799 PolarHBondContact O-N 2.74Å; F797-D800 WeakPolarHBondContact CD1-OD2 3.4Å; F797-D800 PolarHBondContact O-N 2.5Å; F797-V801 PolarHBondContact O-N 2.92Å
798K76.7Confident80Confident124 Ų12470.8 Ų70.854%0.53934%0.335SS..Hα-helixtrans-51.6-41.2178-85.2-173.7177.3-175.40112.3V791 P795 F802V791-K798 HydrophobicContact CG1-CB 4.13Å; V791-K798 HydrophobicContact CG1-CG 3.34Å; P795-K798 PolarHBondContact O-N 3.38Å; K798-F802 WeakPolarHBondContact O-CD2 3.25Å; K798-F802 PolarHBondContact O-N 3.41Å; K798-F802 VanDerWaalsContact O-N 3.11Å
799Y78.9Confident80Confident131 Ų13168.3 Ų68.351%0.51432%0.324SS..Hα-helixtrans-66.6-45.9178.2-177.9-94.5000112.2F797 V801 V803F797-Y799 PolarHBondContact O-N 2.74Å; Y799-V801 PolarHBondContact O-N 3.01Å; Y799-V803 HydrophobicContact CD2-CG2 4.01Å; Y799-V803 HydrophobicContact CE2-CG2 3.91Å; Y799-V803 PolarHBondContact O-N 3.34Å
800D77.3Confident79.7Confident73 Ų7364.8 Ų64.839%0.3931%0.308SS..Hα-helixtrans-68.8-15-176.1-60-38.9000113.4F797 P804F797-D800 WeakPolarHBondContact CD1-OD2 3.4Å; F797-D800 PolarHBondContact O-N 2.5Å; D800-P804 WeakPolarHBondContact O-CD 3.44Å; D800-P804 WeakPolarHBondContact O-CG 3.12Å
801V82.4Confident79.7Confident1 Ų169.7 Ų69.71%0.00633%0.33CS..Hα-helixtrans-105-50.3178.8-177.60000112.5V779 W784 A787 F788 V791 F797 Y799 Y805V779-V801 HydrophobicContact CG2-CB 4.39Å; V779-V801 HydrophobicContact CG2-CG2 3.74Å; W784-V801 HydrophobicContact CE3-CG1 4Å; W784-V801 HydrophobicContact CZ3-CG1 4.26Å; A787-V801 HydrophobicContact CB-CG1 3.77Å; A787-V801 HydrophobicContact CB-CG2 4.19Å; F788-V801 HydrophobicContact CD1-CG1 3.94Å; F788-V801 HydrophobicContact CE1-CG1 3.78Å; V791-V801 HydrophobicContact CG2-CB 3.92Å; V791-V801 HydrophobicContact CG2-CG2 3.37Å; F797-V801 PolarHBondContact O-N 2.92Å; Y799-V801 PolarHBondContact O-N 3.01Å; V801-Y805 VanDerWaalsContact O-CB 3.24Å; V801-Y805 WeakPolarHBondContact O-CB 3.34Å; V801-Y805 PolarHBondContact O-N 3.12Å; V801-Y805 VanDerWaalsContact O-N 3.11Å
802F83Confident79.6Confident33 Ų3373.1 Ų73.115%0.14535%0.348CS..Hα-helixtrans-74.3-27.9-173.1-77.7-74.5000114F788 K798 Y805 A806 K824 A825F788-F802 HydrophobicContact CD1-CE1 4.07Å; F788-F802 HydrophobicContact CD1-CE2 4.19Å; F788-F802 AromaticContact CD1-CZ 3.7Å; F788-F802 HydrophobicContact CD1-CZ 3.7Å; F788-F802 AromaticContact CE1-CD1 3.95Å; F788-F802 HydrophobicContact CE1-CD1 3.95Å; F788-F802 AromaticContact CE1-CE1 3.39Å; F788-F802 HydrophobicContact CE1-CE1 3.39Å; F788-F802 HydrophobicContact CE1-CE2 4.18Å; F788-F802 AromaticContact CE1-CZ 3.53Å; F788-F802 HydrophobicContact CE1-CZ 3.53Å; F788-F802 AromaticContact CZ-CE1 3.9Å; F788-F802 HydrophobicContact CZ-CE1 3.9Å; F788-F802 HydrophobicContact CZ-CZ 4.34Å; K798-F802 WeakPolarHBondContact O-CD2 3.25Å; K798-F802 PolarHBondContact O-N 3.41Å; K798-F802 VanDerWaalsContact O-N 3.11Å; F802-Y805 HydrophobicContact CD1-CD1 4.42Å; F802-A806 WeakPolarHBondContact O-CB 3.31Å; F802-A806 PolarHBondContact O-N 2.93Å; F802-K824 HydrophobicContact CD1-CB 4.04Å; F802-K824 HydrophobicContact CE1-CB 4.22Å; F802-K824 HydrophobicContact CE1-CD 4.1Å; F802-A825 HydrophobicContact CB-CB 3.81Å
803V81.9Confident79.1Confident12 Ų1272 Ų727%0.07335%0.347CS..Hα-helixtrans-72.4-50.8177.1175.70000111.6Y799 Y805 A806 Q807 A825Y799-V803 HydrophobicContact CD2-CG2 4.01Å; Y799-V803 HydrophobicContact CE2-CG2 3.91Å; Y799-V803 PolarHBondContact O-N 3.34Å; V803-Y805 PolarHBondContact O-N 3.39Å; V803-A806 PolarHBondContact O-N 2.9Å; V803-A806 VanDerWaalsContact O-N 3.16Å; V803-Q807 PolarHBondContact O-N 3.17Å; V803-A825 HydrophobicContact CG2-CB 3.87Å
804P82.7Confident79.1Confident44 Ų4469.7 Ų69.729%0.28633%0.334SS..Hα-helixtrans-61.8-32.5173.2-25.838000112.9V779 W784 D800 W808V779-P804 HydrophobicContact CG1-CB 3.87Å; V779-P804 HydrophobicContact CG1-CG 4.11Å; W784-P804 HydrophobicContact CH2-CB 4.46Å; D800-P804 WeakPolarHBondContact O-CD 3.44Å; D800-P804 WeakPolarHBondContact O-CG 3.12Å; P804-W808 WeakPolarHBondContact O-CB 3.32Å; P804-W808 PolarHBondContact O-N 2.99Å
805Y84.5Confident78.9Confident48 Ų4867.8 Ų67.819%0.18833%0.325CS..Hα-helixtrans-62.1-44.2173.4-178.2-125.5000112.1W784 F788 V801 F802 V803 W808 L809 A821W784-Y805 AromaticContact CD1-CD2 3.81Å; W784-Y805 AromaticContact CD1-CE2 3.61Å; W784-Y805 AromaticContact CD2-CD2 3.44Å; W784-Y805 HydrophobicContact CD2-CD2 3.44Å; W784-Y805 VanDerWaalsContact CD2-CD2 3.44Å; W784-Y805 HydrophobicContact CD2-CE2 4.02Å; W784-Y805 HydrophobicContact CD2-CG 4.17Å; W784-Y805 AromaticContact CE2-CD2 3.33Å; W784-Y805 AromaticContact CE2-CE2 3.93Å; W784-Y805 AromaticContact CE3-CD2 3.93Å; W784-Y805 HydrophobicContact CE3-CD2 3.93Å; W784-Y805 HydrophobicContact CE3-CG 4.22Å; W784-Y805 AromaticContact CG-CD2 3.79Å; W784-Y805 HydrophobicContact CG-CD2 3.79Å; W784-Y805 AromaticContact CG-CE2 3.86Å; W784-Y805 HydrophobicContact CG-CE2 3.86Å; W784-Y805 HydrophobicContact CH2-CD2 4.21Å; W784-Y805 AromaticContact CZ2-CD2 3.74Å; W784-Y805 HydrophobicContact CZ2-CD2 3.74Å; W784-Y805 HydrophobicContact CZ3-CD2 4.29Å; W784-Y805 HydrophobicContact CZ3-CG 4.42Å; W784-Y805 AromaticContact NE1-CD2 3.51Å; W784-Y805 AromaticContact NE1-CE2 3.61Å; F788-Y805 HydrophobicContact CZ-CD1 4.29Å; F788-Y805 HydrophobicContact CZ-CE1 4.31Å; V801-Y805 VanDerWaalsContact O-CB 3.24Å; V801-Y805 WeakPolarHBondContact O-CB 3.34Å; V801-Y805 PolarHBondContact O-N 3.12Å; V801-Y805 VanDerWaalsContact O-N 3.11Å; F802-Y805 HydrophobicContact CD1-CD1 4.42Å; V803-Y805 PolarHBondContact O-N 3.39Å; Y805-W808 AromaticContact CD2-CE3 3.99Å; Y805-W808 HydrophobicContact CD2-CE3 3.99Å; Y805-W808 HydrophobicContact CD2-CZ3 4.47Å; Y805-W808 AromaticContact CE2-CE3 3.97Å; Y805-W808 HydrophobicContact CE2-CE3 3.97Å; Y805-W808 HydrophobicContact CE2-CZ3 4Å; Y805-W808 PolarHBondContact O-N 3.49Å; Y805-L809 HydrophobicContact CD1-CD1 4Å; Y805-L809 HydrophobicContact CD2-CD1 4.27Å; Y805-L809 HydrophobicContact CD2-CG 4.48Å; Y805-L809 HydrophobicContact CE1-CD1 3.65Å; Y805-L809 HydrophobicContact CE2-CD1 3.99Å; Y805-L809 HydrophobicContact CE2-CD2 4.49Å; Y805-L809 HydrophobicContact CE2-CG 4.24Å; Y805-L809 HydrophobicContact CG-CD1 4.31Å; Y805-L809 VanDerWaalsContact O-CG 3.29Å; Y805-L809 WeakPolarHBondContact O-CG 3.41Å; Y805-L809 PolarHBondContact O-N 2.98Å; Y805-A821 HydrophobicContact CD1-CB 3.61Å; Y805-A821 HydrophobicContact CE1-CB 3.98Å
806A80.9Confident78.6Confident0 Ų066.8 Ų66.80%031%0.313CS..Hα-helixtrans-67-42.6178.100000112.7F802 V803 L809 A810 A818 A821 F822F802-A806 WeakPolarHBondContact O-CB 3.31Å; F802-A806 PolarHBondContact O-N 2.93Å; V803-A806 PolarHBondContact O-N 2.9Å; V803-A806 VanDerWaalsContact O-N 3.16Å; A806-L809 PolarHBondContact O-N 3.39Å; A806-A810 PolarHBondContact O-N 3.12Å; A806-A818 VanDerWaalsContact O-CB 3.26Å; A806-A818 WeakPolarHBondContact O-CB 3.42Å; A806-A821 HydrophobicContact CB-CB 3.55Å; A806-F822 HydrophobicContact CB-CB 4.28Å; A806-F822 HydrophobicContact CB-CD1 3.49Å; A806-F822 VanDerWaalsContact CB-CD1 3.49Å; A806-F822 HydrophobicContact CB-CD2 3.69Å; A806-F822 HydrophobicContact CB-CE1 3.57Å; A806-F822 HydrophobicContact CB-CE2 3.75Å; A806-F822 HydrophobicContact CB-CG 3.53Å; A806-F822 HydrophobicContact CB-CZ 3.68Å
807Q81.2Confident78.6Confident102 Ų10263.1 Ų63.148%0.47730%0.295SS..Hα-helixtrans-63.8-42174.3-71175.4-19.700111.6V803 L809 A810 E811 F822V803-Q807 PolarHBondContact O-N 3.17Å; Q807-L809 VanDerWaalsContact C-N 3.32Å; Q807-L809 PolarHBondContact O-N 3.07Å; Q807-A810 WeakPolarHBondContact O-CB 3.36Å; Q807-A810 PolarHBondContact O-N 2.92Å; Q807-A810 VanDerWaalsContact O-N 3.1Å; Q807-E811 WeakPolarHBondContact O-CG 3.31Å; Q807-E811 PolarHBondContact O-N 3.3Å; Q807-F822 HydrophobicContact CG-CE1 4.28Å; Q807-F822 HydrophobicContact CG-CZ 3.92Å
808W82.8Confident78.5Confident46 Ų4660.8 Ų60.817%0.17429%0.285CS..Hα-helixtrans-59.2-43.6175.6173.862.4000111.9R782 W784 P804 Y805 A810 E811 N812R782-W808 VanDerWaalsContact NH2-CD1 3.29Å; W784-W808 HydrophobicContact CZ2-CB 4.25Å; W784-W808 HydrophobicContact CZ2-CD2 4.27Å; W784-W808 HydrophobicContact CZ2-CE3 4.24Å; W784-W808 HydrophobicContact CZ2-CG 4.25Å; W784-W808 AromaticContact NE1-CE3 3.82Å; W784-W808 AromaticContact NE1-CZ3 3.94Å; P804-W808 WeakPolarHBondContact O-CB 3.32Å; P804-W808 PolarHBondContact O-N 2.99Å; Y805-W808 AromaticContact CD2-CE3 3.99Å; Y805-W808 HydrophobicContact CD2-CE3 3.99Å; Y805-W808 HydrophobicContact CD2-CZ3 4.47Å; Y805-W808 AromaticContact CE2-CE3 3.97Å; Y805-W808 HydrophobicContact CE2-CE3 3.97Å; Y805-W808 HydrophobicContact CE2-CZ3 4Å; Y805-W808 PolarHBondContact O-N 3.49Å; W808-A810 VanDerWaalsContact C-N 3.3Å; W808-A810 PolarHBondContact O-N 3.14Å; W808-E811 PolarHBondContact O-N 3.33Å; W808-N812 PolarHBondContact NE1-ND2 3.48Å; W808-N812 PolarHBondContact O-N 3.01Å; W808-N812 PolarHBondContact O-ND2 3.02Å
809L80.4Confident78.6Confident1 Ų155.9 Ų55.91%0.00526%0.264CS..Hα-helixtrans-62.9-38.1175.5-71.8164.9000111.5Y805 A806 Q807 N812 R814 E817 A818 A821Y805-L809 HydrophobicContact CD1-CD1 4Å; Y805-L809 HydrophobicContact CD2-CD1 4.27Å; Y805-L809 HydrophobicContact CD2-CG 4.48Å; Y805-L809 HydrophobicContact CE1-CD1 3.65Å; Y805-L809 HydrophobicContact CE2-CD1 3.99Å; Y805-L809 HydrophobicContact CE2-CD2 4.49Å; Y805-L809 HydrophobicContact CE2-CG 4.24Å; Y805-L809 HydrophobicContact CG-CD1 4.31Å; Y805-L809 VanDerWaalsContact O-CG 3.29Å; Y805-L809 WeakPolarHBondContact O-CG 3.41Å; Y805-L809 PolarHBondContact O-N 2.98Å; A806-L809 PolarHBondContact O-N 3.39Å; Q807-L809 VanDerWaalsContact C-N 3.32Å; Q807-L809 PolarHBondContact O-N 3.07Å; L809-N812 PolarHBondContact O-N 3.49Å; L809-R814 HydrophobicContact CD2-CB 4.23Å; L809-R814 CarbonylContact O-C 3.31Å; L809-R814 WeakPolarHBondContact O-CA 3.48Å; L809-R814 WeakPolarHBondContact O-CB 3.44Å; L809-R814 PolarHBondContact O-N 3.49Å; L809-E817 HydrophobicContact CB-CB 4.5Å; L809-E817 HydrophobicContact CD1-CB 3.88Å; L809-E817 WeakPolarHBondContact CD1-O 3.33Å; L809-E817 HydrophobicContact CD2-CB 3.88Å; L809-E817 HydrophobicContact CG-CB 4.3Å; L809-A818 HydrophobicContact CB-CB 3.61Å; L809-A821 HydrophobicContact CD1-CB 3.77Å
810A74.3Confident78.5Confident22 Ų2255.5 Ų55.518%0.18227%0.265CS..Hα-helixtrans-69.3-40.9177.200000112.7A806 Q807 W808 N812 D813 F815 A818A806-A810 PolarHBondContact O-N 3.12Å; Q807-A810 WeakPolarHBondContact O-CB 3.36Å; Q807-A810 PolarHBondContact O-N 2.92Å; Q807-A810 VanDerWaalsContact O-N 3.1Å; W808-A810 VanDerWaalsContact C-N 3.3Å; W808-A810 PolarHBondContact O-N 3.14Å; A810-N812 PolarHBondContact O-N 3.41Å; A810-D813 PolarHBondContact O-N 3.31Å; A810-F815 HydrophobicContact CB-CD1 4.15Å; A810-F815 HydrophobicContact CB-CE1 4.25Å; A810-F815 WeakPolarHBondContact O-CE1 3.46Å; A810-F815 WeakPolarHBondContact O-CZ 3.27Å; A810-A818 HydrophobicContact CB-CB 3.81Å
811E77.4Confident78.6Confident146 Ų14652.1 Ų52.168%0.68225%0.247SC*.Hα-helixtrans-64.6-22.5176.4-74.6178.8173.200113.5Q807 W808Q807-E811 WeakPolarHBondContact O-CG 3.31Å; Q807-E811 PolarHBondContact O-N 3.3Å; W808-E811 PolarHBondContact O-N 3.33Å
812N76.7Confident78.5Confident76 Ų7652.8 Ų52.841%0.40625%0.25SS..THydrogen-bonded Turntrans-101.625.1178.8-68.5-90.1000112W808 L809 A810 R814W808-N812 PolarHBondContact NE1-ND2 3.48Å; W808-N812 PolarHBondContact O-N 3.01Å; W808-N812 PolarHBondContact O-ND2 3.02Å; L809-N812 PolarHBondContact O-N 3.49Å; A810-N812 PolarHBondContact O-N 3.41Å; N812-R814 PolarHBondContact O-N 2.98Å
813D68.7Low78.1Confident124 Ų12454.5 Ų54.566%0.66326%0.258SS*.THydrogen-bonded Turntrans57.213.5179.5-58.9-45.3000114.9A810 F815A810-D813 PolarHBondContact O-N 3.31Å; D813-F815 VanDerWaalsContact CA-CE2 3.48Å; D813-F815 HydrophobicContact CB-CD2 4.46Å; D813-F815 HydrophobicContact CB-CE2 3.89Å; D813-F815 WeakPolarHBondContact O-CD2 3.3Å; D813-F815 PolarHBondContact O-N 3.21Å; D813-F815 VanDerWaalsContact O-N 3.12Å; D813-F815 WeakPolarHBondContact OD1-CE2 3.43Å; D813-F815 WeakPolarHBondContact OD1-CZ 3.39Å
814R76.1Confident77.8Confident110 Ų11061.1 Ų61.142%0.41529%0.286SS..  trans-90.353.9175.2-64.8175.175-174.69.8109.7L809 N812 E816 E817 A818L809-R814 HydrophobicContact CD2-CB 4.23Å; L809-R814 CarbonylContact O-C 3.31Å; L809-R814 WeakPolarHBondContact O-CA 3.48Å; L809-R814 WeakPolarHBondContact O-CB 3.44Å; L809-R814 PolarHBondContact O-N 3.49Å; N812-R814 PolarHBondContact O-N 2.98Å; R814-E816 PolarHBondContact O-N 3.46Å; R814-E817 HydrophobicContact CB-CB 4.45Å; R814-E817 IonicContact CZ-OE1 3.61Å; R814-E817 IonicContact CZ-OE2 3.81Å; R814-E817 VanDerWaalsContact NE-CD 3.31Å; R814-E817 IonicContact NE-OE1 3.76Å; R814-E817 PolarHBondContact NE-OE1 2.91Å; R814-E817 IonicContact NE-OE2 2.77Å; R814-E817 PolarHBondContact NE-OE2 3.43Å; R814-E817 IonicContact NH1-OE2 2.75Å; R814-E817 IonicContact NH2-OE1 2.9Å; R814-E817 PolarHBondContact NH2-OE1 2.9Å; R814-E817 IonicContact NH2-OE2 2.72Å; R814-E817 PolarHBondContact NH2-OE2 3.03Å; R814-E817 PolarHBondContact O-N 3.31Å; R814-E817 VanDerWaalsContact O-N 3.08Å; R814-A818 PolarHBondContact O-N 3.05Å
815F73.8Confident77.5Confident53 Ų5360.2 Ų60.223%0.23228%0.283CS..Hα-helixtrans-60-31.4-173.3-61.4-73.6000113.6A810 D813 A818 Q819 V834 L838A810-F815 HydrophobicContact CB-CD1 4.15Å; A810-F815 HydrophobicContact CB-CE1 4.25Å; A810-F815 WeakPolarHBondContact O-CE1 3.46Å; A810-F815 WeakPolarHBondContact O-CZ 3.27Å; D813-F815 VanDerWaalsContact CA-CE2 3.48Å; D813-F815 HydrophobicContact CB-CD2 4.46Å; D813-F815 HydrophobicContact CB-CE2 3.89Å; D813-F815 WeakPolarHBondContact O-CD2 3.3Å; D813-F815 PolarHBondContact O-N 3.21Å; D813-F815 VanDerWaalsContact O-N 3.12Å; D813-F815 WeakPolarHBondContact OD1-CE2 3.43Å; D813-F815 WeakPolarHBondContact OD1-CZ 3.39Å; F815-A818 WeakPolarHBondContact O-CB 3.5Å; F815-A818 PolarHBondContact O-N 3.45Å; F815-Q819 VanDerWaalsContact O-CB 3.3Å; F815-Q819 WeakPolarHBondContact O-CB 3.3Å; F815-Q819 PolarHBondContact O-N 3.19Å; F815-V834 HydrophobicContact CD1-CG1 4.18Å; F815-L838 HydrophobicContact CB-CD1 3.39Å; F815-L838 HydrophobicContact CD1-CD1 4.08Å; F815-L838 HydrophobicContact CD1-CD2 4.39Å; F815-L838 HydrophobicContact CD2-CD1 4.15Å; F815-L838 HydrophobicContact CD2-CD2 3.87Å; F815-L838 HydrophobicContact CE2-CD2 4.06Å; F815-L838 HydrophobicContact CG-CD1 3.62Å; F815-L838 HydrophobicContact CG-CD2 4.05Å; F815-L838 HydrophobicContact CG-CG 4.44Å; F815-L838 HydrophobicContact CZ-CD2 4.43Å
816E71.9Confident77Confident64 Ų6460.8 Ų60.830%0.29930%0.303SS..Hα-helixtrans-64.8-38.7176.3-62.6175.3-158.900112.3R814 K820 Y853 M857R814-E816 PolarHBondContact O-N 3.46Å; E816-K820 WeakPolarHBondContact O-CG 3.36Å; E816-K820 PolarHBondContact O-N 3.29Å; E816-Y853 HydrophobicContact CG-CE1 4.22Å; E816-Y853 WeakPolarHBondContact OE1-CE1 3.44Å; E816-Y853 PolarHBondContact OE2-OH 3.46Å; E816-M857 HydrophobicContact CB-CE 4.19Å; E816-M857 HydrophobicContact CG-CE 3.99Å; E816-M857 HydrophobicContact CG-SD 3.92Å
817E78.4Confident76.8Confident66 Ų6665.4 Ų65.431%0.30832%0.321SS..Hα-helixtrans-80.1-35.2177.5-66.5178.1-131.400111.3L809 R814 Q819 K820 A821L809-E817 HydrophobicContact CB-CB 4.5Å; L809-E817 HydrophobicContact CD1-CB 3.88Å; L809-E817 WeakPolarHBondContact CD1-O 3.33Å; L809-E817 HydrophobicContact CD2-CB 3.88Å; L809-E817 HydrophobicContact CG-CB 4.3Å; R814-E817 HydrophobicContact CB-CB 4.45Å; R814-E817 IonicContact CZ-OE1 3.61Å; R814-E817 IonicContact CZ-OE2 3.81Å; R814-E817 VanDerWaalsContact NE-CD 3.31Å; R814-E817 IonicContact NE-OE1 3.76Å; R814-E817 PolarHBondContact NE-OE1 2.91Å; R814-E817 IonicContact NE-OE2 2.77Å; R814-E817 PolarHBondContact NE-OE2 3.43Å; R814-E817 IonicContact NH1-OE2 2.75Å; R814-E817 IonicContact NH2-OE1 2.9Å; R814-E817 PolarHBondContact NH2-OE1 2.9Å; R814-E817 IonicContact NH2-OE2 2.72Å; R814-E817 PolarHBondContact NH2-OE2 3.03Å; R814-E817 PolarHBondContact O-N 3.31Å; R814-E817 VanDerWaalsContact O-N 3.08Å; E817-Q819 VanDerWaalsContact C-N 3.26Å; E817-Q819 PolarHBondContact O-N 3.14Å; E817-K820 PolarHBondContact O-N 2.94Å; E817-K820 VanDerWaalsContact O-N 3.14Å; E817-A821 WeakPolarHBondContact O-CB 3.31Å; E817-A821 PolarHBondContact O-N 3.1Å
818A78.3Confident76.4Confident0 Ų063.1 Ų63.10%031%0.31CS..Hα-helixtrans-56.3-45.417300000110.9A806 L809 A810 R814 F815 K820 A821 F822A806-A818 VanDerWaalsContact O-CB 3.26Å; A806-A818 WeakPolarHBondContact O-CB 3.42Å; L809-A818 HydrophobicContact CB-CB 3.61Å; A810-A818 HydrophobicContact CB-CB 3.81Å; R814-A818 PolarHBondContact O-N 3.05Å; F815-A818 WeakPolarHBondContact O-CB 3.5Å; F815-A818 PolarHBondContact O-N 3.45Å; A818-K820 PolarHBondContact O-N 3.49Å; A818-A821 PolarHBondContact O-N 3.48Å; A818-F822 HydrophobicContact CB-CE2 4.45Å; A818-F822 WeakPolarHBondContact O-CD2 3.28Å; A818-F822 PolarHBondContact O-N 3.1Å
819Q78.8Confident76.2Confident22 Ų2266.9 Ų66.910%0.10333%0.333CS..Hα-helixtrans-56.1-49.6173.7-179.3-71.9-43.200111.5F815 E817 A821 F822 H823 A831 L835F815-Q819 VanDerWaalsContact O-CB 3.3Å; F815-Q819 WeakPolarHBondContact O-CB 3.3Å; F815-Q819 PolarHBondContact O-N 3.19Å; E817-Q819 VanDerWaalsContact C-N 3.26Å; E817-Q819 PolarHBondContact O-N 3.14Å; Q819-A821 VanDerWaalsContact C-N 3.29Å; Q819-A821 PolarHBondContact O-N 3.14Å; Q819-F822 PolarHBondContact O-N 3.32Å; Q819-H823 PolarHBondContact O-N 3.49Å; Q819-A831 HydrophobicContact CG-CB 4.05Å; Q819-L835 HydrophobicContact CG-CD1 4.18Å; Q819-L835 HydrophobicContact CG-CG 4.22Å
820K76.5Confident76Confident123 Ų12369.9 Ų69.954%0.53535%0.347SS..Hα-helixtrans-61.7-36.6177.5-69.2174.7-177.2173.60112E816 E817 A818 K824E816-K820 WeakPolarHBondContact O-CG 3.36Å; E816-K820 PolarHBondContact O-N 3.29Å; E817-K820 PolarHBondContact O-N 2.94Å; E817-K820 VanDerWaalsContact O-N 3.14Å; A818-K820 PolarHBondContact O-N 3.49Å; K820-K824 WeakPolarHBondContact O-CG 3.45Å; K820-K824 PolarHBondContact O-N 3.06Å; K820-K824 VanDerWaalsContact O-N 3.12Å
821A80.6Confident76Confident2 Ų269 Ų692%0.01734%0.34CS..Hα-helixtrans-72.4-40.4177.700000112.8Y805 A806 L809 E817 A818 Q819 H823 K824 A825Y805-A821 HydrophobicContact CD1-CB 3.61Å; Y805-A821 HydrophobicContact CE1-CB 3.98Å; A806-A821 HydrophobicContact CB-CB 3.55Å; L809-A821 HydrophobicContact CD1-CB 3.77Å; E817-A821 WeakPolarHBondContact O-CB 3.31Å; E817-A821 PolarHBondContact O-N 3.1Å; A818-A821 PolarHBondContact O-N 3.48Å; Q819-A821 VanDerWaalsContact C-N 3.29Å; Q819-A821 PolarHBondContact O-N 3.14Å; A821-H823 VanDerWaalsContact C-N 3.27Å; A821-H823 PolarHBondContact O-N 2.6Å; A821-K824 PolarHBondContact O-N 2.72Å; A821-A825 PolarHBondContact O-N 3.01Å
822F79.7Confident76.2Confident14 Ų1463.4 Ų63.46%0.06132%0.316CS..Hα-helixtrans-61.3-37.7172-79.4-59000111.6A806 Q807 A818 Q819 A825 G826 R827 A831A806-F822 HydrophobicContact CB-CB 4.28Å; A806-F822 HydrophobicContact CB-CD1 3.49Å; A806-F822 VanDerWaalsContact CB-CD1 3.49Å; A806-F822 HydrophobicContact CB-CD2 3.69Å; A806-F822 HydrophobicContact CB-CE1 3.57Å; A806-F822 HydrophobicContact CB-CE2 3.75Å; A806-F822 HydrophobicContact CB-CG 3.53Å; A806-F822 HydrophobicContact CB-CZ 3.68Å; Q807-F822 HydrophobicContact CG-CE1 4.28Å; Q807-F822 HydrophobicContact CG-CZ 3.92Å; A818-F822 HydrophobicContact CB-CE2 4.45Å; A818-F822 WeakPolarHBondContact O-CD2 3.28Å; A818-F822 PolarHBondContact O-N 3.1Å; Q819-F822 PolarHBondContact O-N 3.32Å; F822-A825 PolarHBondContact O-N 3.39Å; F822-G826 PolarHBondContact O-N 3.01Å; F822-R827 HydrophobicContact CD1-CB 4.38Å; F822-R827 PolarHBondContact O-N 3.38Å; F822-A831 HydrophobicContact CB-CB 4.01Å
823H74.8Confident76.4Confident69 Ų6966.4 Ų66.432%0.31933%0.325SS..Hα-helixtrans-62.6-46173.4-177.184.8000111.7Q819 A821 A825 G826 E868Q819-H823 PolarHBondContact O-N 3.49Å; A821-H823 VanDerWaalsContact C-N 3.27Å; A821-H823 PolarHBondContact O-N 2.6Å; H823-A825 VanDerWaalsContact C-N 3.25Å; H823-A825 PolarHBondContact O-N 3.27Å; H823-G826 PolarHBondContact O-N 3.5Å; H823-E868 IonicContact CE1-OE1 2.75Å; H823-E868 IonicContact NE2-OE1 3.1Å
824K76.1Confident77.1Confident152 Ų15262.3 Ų62.366%0.66131%0.305SS*.Hα-helixtrans-63-27.3174.6-72179.7-179.6-178.50113.9F802 K820 A821 G826F802-K824 HydrophobicContact CD1-CB 4.04Å; F802-K824 HydrophobicContact CE1-CB 4.22Å; F802-K824 HydrophobicContact CE1-CD 4.1Å; K820-K824 WeakPolarHBondContact O-CG 3.45Å; K820-K824 PolarHBondContact O-N 3.06Å; K820-K824 VanDerWaalsContact O-N 3.12Å; A821-K824 PolarHBondContact O-N 2.72Å; K824-G826 VanDerWaalsContact C-N 3.27Å
825A76.3Confident77.4Confident25 Ų2557.1 Ų57.121%0.20729%0.285CS..THydrogen-bonded Turntrans-79.2-4.2173.800000113.9F802 V803 A821 F822 H823F802-A825 HydrophobicContact CB-CB 3.81Å; V803-A825 HydrophobicContact CG2-CB 3.87Å; A821-A825 PolarHBondContact O-N 3.01Å; F822-A825 PolarHBondContact O-N 3.39Å; H823-A825 VanDerWaalsContact C-N 3.25Å; H823-A825 PolarHBondContact O-N 3.27Å
826G73.3Confident78Confident60 Ų6059.1 Ų59.162%0.61930%0.295SS*.THydrogen-bonded Turntrans79.816.5-176.500000114.7F822 H823 K824F822-G826 PolarHBondContact O-N 3.01Å; H823-G826 PolarHBondContact O-N 3.5Å; K824-G826 VanDerWaalsContact C-N 3.27Å
827R76.5Confident78.6Confident97 Ų9761.1 Ų61.137%0.36630%0.304SS..  trans-105.262.6-177.8-67.1-78.1-93.3-128.7-1.8111.8F822 N829 E830 A831F822-R827 HydrophobicContact CD1-CB 4.38Å; F822-R827 PolarHBondContact O-N 3.38Å; R827-N829 PolarHBondContact O-N 2.99Å; R827-E830 HydrophobicContact CB-CB 4.38Å; R827-E830 IonicContact CZ-OE1 3.91Å; R827-E830 VanDerWaalsContact CZ-OE1 3.31Å; R827-E830 IonicContact CZ-OE2 3.42Å; R827-E830 IonicContact NE-OE1 3.53Å; R827-E830 PolarHBondContact NE-OE1 2.69Å; R827-E830 IonicContact NE-OE2 3.14Å; R827-E830 PolarHBondContact NE-OE2 2.84Å; R827-E830 IonicContact NH2-OE1 3.99Å; R827-E830 PolarHBondContact NH2-OE1 3.48Å; R827-E830 IonicContact NH2-OE2 3.32Å; R827-E830 PolarHBondContact NH2-OE2 2.92Å; R827-E830 PolarHBondContact O-N 3.33Å; R827-A831 PolarHBondContact O-N 2.84Å
828Q73.1Confident79Confident54 Ų5459 Ų5925%0.25230%0.295SS..Hα-helixtrans-61-39.5-176.3-66-179.4-12.500113.7E830 A831 V832 E868Q828-E830 VanDerWaalsContact C-N 3.32Å; Q828-E830 PolarHBondContact O-N 3.33Å; Q828-A831 WeakPolarHBondContact O-CB 3.36Å; Q828-A831 PolarHBondContact O-N 3.04Å; Q828-V832 WeakPolarHBondContact O-CG2 3.22Å; Q828-V832 PolarHBondContact O-N 3.17Å; Q828-V832 VanDerWaalsContact O-N 3.14Å; Q828-E868 PolarHBondContact NE2-OE2 2.99Å
829N77.7Confident79.5Confident125 Ų12559.2 Ų59.267%0.66830%0.296SS*.Hα-helixtrans-66.1-31.9-179.6-67.4-22.3000113.4R827 K833R827-N829 PolarHBondContact O-N 2.99Å; N829-K833 WeakPolarHBondContact O-CG 3.39Å; N829-K833 PolarHBondContact O-N 2.89Å
830E76.8Confident80Confident64 Ų6463.4 Ų63.430%0.29932%0.316SS..Hα-helixtrans-75-36.6176.8-69.2179.6164.200111R827 Q828 V832 K833 V834R827-E830 HydrophobicContact CB-CB 4.38Å; R827-E830 IonicContact CZ-OE1 3.91Å; R827-E830 VanDerWaalsContact CZ-OE1 3.31Å; R827-E830 IonicContact CZ-OE2 3.42Å; R827-E830 IonicContact NE-OE1 3.53Å; R827-E830 PolarHBondContact NE-OE1 2.69Å; R827-E830 IonicContact NE-OE2 3.14Å; R827-E830 PolarHBondContact NE-OE2 2.84Å; R827-E830 IonicContact NH2-OE1 3.99Å; R827-E830 PolarHBondContact NH2-OE1 3.48Å; R827-E830 IonicContact NH2-OE2 3.32Å; R827-E830 PolarHBondContact NH2-OE2 2.92Å; R827-E830 PolarHBondContact O-N 3.33Å; Q828-E830 VanDerWaalsContact C-N 3.32Å; Q828-E830 PolarHBondContact O-N 3.33Å; E830-V832 VanDerWaalsContact C-N 3.3Å; E830-V832 PolarHBondContact O-N 3.02Å; E830-K833 PolarHBondContact O-N 3.21Å; E830-V834 WeakPolarHBondContact O-CG2 3.39Å; E830-V834 PolarHBondContact O-N 3.46Å; E830-V834 VanDerWaalsContact O-N 3.07Å
831A74.8Confident80.6Confident2 Ų260.5 Ų60.52%0.01731%0.306CS..Hα-helixtrans-60.9-36.6174.300000112.7Q819 F822 R827 Q828Q819-A831 HydrophobicContact CG-CB 4.05Å; F822-A831 HydrophobicContact CB-CB 4.01Å; R827-A831 PolarHBondContact O-N 2.84Å; Q828-A831 WeakPolarHBondContact O-CB 3.36Å; Q828-A831 PolarHBondContact O-N 3.04Å
832V81.2Confident81Confident30 Ų3060.5 Ų60.518%0.18231%0.306CS..Hα-helixtrans-70.8-49.2174.7175.60000111.2Q828 E830 V834 L835 E836 L858 Q861 I865Q828-V832 WeakPolarHBondContact O-CG2 3.22Å; Q828-V832 PolarHBondContact O-N 3.17Å; Q828-V832 VanDerWaalsContact O-N 3.14Å; E830-V832 VanDerWaalsContact C-N 3.3Å; E830-V832 PolarHBondContact O-N 3.02Å; V832-V834 VanDerWaalsContact C-N 3.29Å; V832-V834 PolarHBondContact O-N 3.33Å; V832-L835 PolarHBondContact O-N 3.07Å; V832-L835 VanDerWaalsContact O-N 3.07Å; V832-E836 HydrophobicContact CG1-CG 4.2Å; V832-E836 PolarHBondContact O-N 3.11Å; V832-L858 HydrophobicContact CG1-CD2 4.35Å; V832-Q861 VanDerWaalsContact CG2-OE1 3.32Å; V832-I865 HydrophobicContact CG2-CD1 3.92Å
833K81.8Confident81.6Confident139 Ų13960.3 Ų60.360%0.60431%0.306SS*.Hα-helixtrans-58.4-39-179.1-77.4179.3179.7-1760113.3N829 E830 L835 E836 Q837N829-K833 WeakPolarHBondContact O-CG 3.39Å; N829-K833 PolarHBondContact O-N 2.89Å; E830-K833 PolarHBondContact O-N 3.21Å; K833-L835 VanDerWaalsContact C-N 3.35Å; K833-E836 PolarHBondContact O-N 3.49Å; K833-Q837 WeakPolarHBondContact O-CB 3.44Å; K833-Q837 PolarHBondContact O-N 2.96Å
834V81.7Confident82.3Confident38 Ų3861.7 Ų61.723%0.2332%0.319CS..Hα-helixtrans-61.5-45.6176.4170.70000110.3F815 E830 V832 Q837 L838F815-V834 HydrophobicContact CD1-CG1 4.18Å; E830-V834 WeakPolarHBondContact O-CG2 3.39Å; E830-V834 PolarHBondContact O-N 3.46Å; E830-V834 VanDerWaalsContact O-N 3.07Å; V832-V834 VanDerWaalsContact C-N 3.29Å; V832-V834 PolarHBondContact O-N 3.33Å; V834-Q837 PolarHBondContact O-N 3.33Å; V834-L838 HydrophobicContact CG1-CD1 3.85Å; V834-L838 WeakPolarHBondContact O-CD1 3.31Å; V834-L838 VanDerWaalsContact O-CG 3.23Å; V834-L838 WeakPolarHBondContact O-CG 3.36Å; V834-L838 PolarHBondContact O-N 2.89Å
835L82.8Confident82.8Confident1 Ų159.8 Ų59.81%0.00531%0.312CS..Hα-helixtrans-68.1-36.8177.6-75.2-171.4000113.4Q819 V832 K833 L838 T839 M857 L858 Q861Q819-L835 HydrophobicContact CG-CD1 4.18Å; Q819-L835 HydrophobicContact CG-CG 4.22Å; V832-L835 PolarHBondContact O-N 3.07Å; V832-L835 VanDerWaalsContact O-N 3.07Å; K833-L835 VanDerWaalsContact C-N 3.35Å; L835-L838 HydrophobicContact CD2-CD1 4.37Å; L835-L838 PolarHBondContact O-N 2.94Å; L835-T839 PolarHBondContact O-N 3Å; L835-T839 PolarHBondContact O-OG1 2.77Å; L835-M857 HydrophobicContact CD1-CB 3.81Å; L835-M857 HydrophobicContact CD1-CE 4.14Å; L835-M857 HydrophobicContact CD2-CE 3.94Å; L835-M857 HydrophobicContact CD2-SD 4.11Å; L835-L858 HydrophobicContact CB-CD2 3.53Å; L835-L858 HydrophobicContact CB-CG 3.89Å; L835-L858 HydrophobicContact CD1-CD2 4.19Å; L835-L858 HydrophobicContact CD1-CG 4.32Å; L835-Q861 VanDerWaalsContact CD1-CD 3.43Å; L835-Q861 HydrophobicContact CD1-CG 4.27Å
836E86.6Confident83.5Confident94 Ų9463.2 Ų63.244%0.43933%0.327SS..Hα-helixtrans-63-41.3174.7-73.4-178.8155.400111.8V832 K833 T839 H840 L858V832-E836 HydrophobicContact CG1-CG 4.2Å; V832-E836 PolarHBondContact O-N 3.11Å; K833-E836 PolarHBondContact O-N 3.49Å; E836-T839 VanDerWaalsContact C-OG1 3.3Å; E836-T839 VanDerWaalsContact CA-OG1 3.22Å; E836-T839 WeakPolarHBondContact CA-OG1 3.36Å; E836-T839 PolarHBondContact O-OG1 3.42Å; E836-H840 WeakPolarHBondContact O-CB 3.15Å; E836-H840 PolarHBondContact O-N 2.75Å; E836-L858 HydrophobicContact CG-CD1 4.37Å; E836-L858 HydrophobicContact CG-CD2 4Å
837Q85.8Confident84.4Confident107 Ų10765.8 Ų65.850%0.532%0.318SS..Hα-helixtrans-67.6-40.6176.3-170.165.24100111.5K833 V834 H840 N841K833-Q837 WeakPolarHBondContact O-CB 3.44Å; K833-Q837 PolarHBondContact O-N 2.96Å; V834-Q837 PolarHBondContact O-N 3.33Å; Q837-H840 PolarHBondContact O-N 3.16Å; Q837-N841 PolarHBondContact NE2-OD1 2.86Å; Q837-N841 WeakPolarHBondContact O-CB 3.38Å; Q837-N841 PolarHBondContact O-N 2.84Å; Q837-N841 PolarHBondContact O-OD1 2.93Å
838L85.6Confident85.1Confident22 Ų2261.3 Ų61.312%0.11530%0.301CS..Hα-helixtrans-65.8-41.5177.9-72.4165.9000112.2F815 V834 L835 A842 Y854F815-L838 HydrophobicContact CB-CD1 3.39Å; F815-L838 HydrophobicContact CD1-CD1 4.08Å; F815-L838 HydrophobicContact CD1-CD2 4.39Å; F815-L838 HydrophobicContact CD2-CD1 4.15Å; F815-L838 HydrophobicContact CD2-CD2 3.87Å; F815-L838 HydrophobicContact CE2-CD2 4.06Å; F815-L838 HydrophobicContact CG-CD1 3.62Å; F815-L838 HydrophobicContact CG-CD2 4.05Å; F815-L838 HydrophobicContact CG-CG 4.44Å; F815-L838 HydrophobicContact CZ-CD2 4.43Å; V834-L838 HydrophobicContact CG1-CD1 3.85Å; V834-L838 WeakPolarHBondContact O-CD1 3.31Å; V834-L838 VanDerWaalsContact O-CG 3.23Å; V834-L838 WeakPolarHBondContact O-CG 3.36Å; V834-L838 PolarHBondContact O-N 2.89Å; L835-L838 HydrophobicContact CD2-CD1 4.37Å; L835-L838 PolarHBondContact O-N 2.94Å; L838-A842 VanDerWaalsContact O-CB 3.26Å; L838-A842 WeakPolarHBondContact O-CB 3.11Å; L838-A842 PolarHBondContact O-N 3.02Å; L838-Y854 HydrophobicContact CB-CD2 3.96Å; L838-Y854 HydrophobicContact CB-CE2 3.93Å; L838-Y854 HydrophobicContact CB-CG 4.47Å
839T89Confident86Confident4 Ų462 Ų623%0.02531%0.307CS..Hα-helixtrans-59.6-49.1172.7240000110.7L835 E836 N841 A842 V843 Y855 L858L835-T839 PolarHBondContact O-N 3Å; L835-T839 PolarHBondContact O-OG1 2.77Å; E836-T839 VanDerWaalsContact C-OG1 3.3Å; E836-T839 VanDerWaalsContact CA-OG1 3.22Å; E836-T839 WeakPolarHBondContact CA-OG1 3.36Å; E836-T839 PolarHBondContact O-OG1 3.42Å; T839-N841 PolarHBondContact O-N 2.88Å; T839-A842 PolarHBondContact O-N 2.85Å; T839-V843 WeakPolarHBondContact O-CG2 3.27Å; T839-V843 PolarHBondContact O-N 3.43Å; T839-V843 VanDerWaalsContact O-N 3.08Å; T839-Y855 HydrophobicContact CG2-CD1 3.98Å; T839-Y855 HydrophobicContact CG2-CD2 3.8Å; T839-Y855 HydrophobicContact CG2-CE1 4.12Å; T839-Y855 HydrophobicContact CG2-CE2 3.93Å; T839-Y855 HydrophobicContact CG2-CG 3.81Å; T839-L858 HydrophobicContact CG2-CD1 3.8Å
840H89Confident86.6Confident110 Ų11057.4 Ų57.451%0.50928%0.282SS..Hα-helixtrans-60.1-48.1179.6-177.271.1000112.2E836 Q837 A842 V843 V844E836-H840 WeakPolarHBondContact O-CB 3.15Å; E836-H840 PolarHBondContact O-N 2.75Å; Q837-H840 PolarHBondContact O-N 3.16Å; H840-A842 VanDerWaalsContact C-N 3.34Å; H840-A842 PolarHBondContact O-N 2.91Å; H840-V843 PolarHBondContact O-N 3Å; H840-V844 WeakPolarHBondContact O-CG2 3.3Å; H840-V844 PolarHBondContact O-N 3.39Å
841N88.5Confident87.3Confident61 Ų6154.3 Ų54.333%0.32627%0.268SS..Hα-helixtrans-61.1-43.6178.2-69.2-1.4000111.3Q837 T839 V843 V844 E845Q837-N841 PolarHBondContact NE2-OD1 2.86Å; Q837-N841 WeakPolarHBondContact O-CB 3.38Å; Q837-N841 PolarHBondContact O-N 2.84Å; Q837-N841 PolarHBondContact O-OD1 2.93Å; T839-N841 PolarHBondContact O-N 2.88Å; N841-V843 VanDerWaalsContact C-N 3.29Å; N841-V843 PolarHBondContact O-N 3.1Å; N841-V844 PolarHBondContact O-N 3.42Å; N841-E845 WeakPolarHBondContact O-CB 3.47Å; N841-E845 WeakPolarHBondContact O-CG 3.46Å; N841-E845 PolarHBondContact O-N 2.91Å
842A89.9Confident88.1Confident2 Ų254.3 Ų54.32%0.01727%0.268CS..Hα-helixtrans-60.3-37.817800000112.3L838 T839 H840 N846 R847 D850 A851 Y854L838-A842 VanDerWaalsContact O-CB 3.26Å; L838-A842 WeakPolarHBondContact O-CB 3.11Å; L838-A842 PolarHBondContact O-N 3.02Å; T839-A842 PolarHBondContact O-N 2.85Å; H840-A842 VanDerWaalsContact C-N 3.34Å; H840-A842 PolarHBondContact O-N 2.91Å; A842-N846 PolarHBondContact O-N 3.28Å; A842-R847 HydrophobicContact CB-CB 4.25Å; A842-R847 CarbonylContact O-C 3.47Å; A842-R847 WeakPolarHBondContact O-CA 3.35Å; A842-R847 PolarHBondContact O-N 3.31Å; A842-D850 HydrophobicContact CB-CB 4.17Å; A842-A851 HydrophobicContact CB-CB 3.97Å; A842-Y854 HydrophobicContact CB-CD2 4.15Å; A842-Y854 HydrophobicContact CB-CE2 4.18Å
843V91.4Very high88.5Confident11 Ų1153.6 Ų53.67%0.06726%0.262CS..Hα-helixtrans-68.8-43.3175.3174.70000111.6T839 H840 N841 E845 N846 F848 A851 Y855 Y890 P929T839-V843 WeakPolarHBondContact O-CG2 3.27Å; T839-V843 PolarHBondContact O-N 3.43Å; T839-V843 VanDerWaalsContact O-N 3.08Å; H840-V843 PolarHBondContact O-N 3Å; N841-V843 VanDerWaalsContact C-N 3.29Å; N841-V843 PolarHBondContact O-N 3.1Å; V843-E845 VanDerWaalsContact C-N 3.34Å; V843-N846 PolarHBondContact O-N 2.87Å; V843-F848 HydrophobicContact CG1-CE1 4.44Å; V843-A851 HydrophobicContact CG2-CB 3.72Å; V843-Y855 HydrophobicContact CG2-CE2 4.49Å; V843-Y890 HydrophobicContact CG1-CE1 4.19Å; V843-Y890 HydrophobicContact CG2-CD1 4.43Å; V843-Y890 HydrophobicContact CG2-CE1 3.81Å; V843-Y890 HydrophobicContact CG2-CE2 4.35Å; V843-P929 HydrophobicContact CG1-CB 4.11Å; V843-P929 WeakPolarHBondContact CG1-O 3.45Å
844V89.6Confident89Confident97 Ų9748 Ų4859%0.58824%0.238SC*.Hα-helixtrans-66.3-36.2179.1173.10000112H840 N841 N846H840-V844 WeakPolarHBondContact O-CG2 3.3Å; H840-V844 PolarHBondContact O-N 3.39Å; N841-V844 PolarHBondContact O-N 3.42Å; V844-N846 VanDerWaalsContact C-N 3.26Å; V844-N846 PolarHBondContact O-N 3.26Å
845E88.3Confident89.5Confident112 Ų11248 Ų4852%0.52323%0.233SC..THydrogen-bonded Turntrans-82.65.1178.3-67.8177.9179.100113.6N841 V843 R847N841-E845 WeakPolarHBondContact O-CB 3.47Å; N841-E845 WeakPolarHBondContact O-CG 3.46Å; N841-E845 PolarHBondContact O-N 2.91Å; V843-E845 VanDerWaalsContact C-N 3.34Å; E845-R847 HydrophobicContact CB-CG 4.19Å; E845-R847 PolarHBondContact O-N 3.36Å; E845-R847 WeakPolarHBondContact OE2-CD 3.11Å; E845-R847 IonicContact OE2-NH1 2.83Å; E845-R847 PolarHBondContact OE2-NH1 2.95Å
846N90.1Very high89.9Confident98 Ų9849 Ų4952%0.52424%0.238SC..THydrogen-bonded Turntrans59.821.5-174.8-55.7-48.2000114.8A842 V843 V844 F848A842-N846 PolarHBondContact O-N 3.28Å; V843-N846 PolarHBondContact O-N 2.87Å; V844-N846 VanDerWaalsContact C-N 3.26Å; V844-N846 PolarHBondContact O-N 3.26Å; N846-F848 HydrophobicContact CB-CD2 4.42Å; N846-F848 HydrophobicContact CB-CE2 3.67Å; N846-F848 HydrophobicContact CB-CZ 4.01Å; N846-F848 VanDerWaalsContact O-CD2 3.26Å; N846-F848 WeakPolarHBondContact O-CD2 3.32Å; N846-F848 PolarHBondContact O-N 2.92Å; N846-F848 VanDerWaalsContact O-N 3.07Å; N846-F848 WeakPolarHBondContact OD1-CZ 3.11Å
847R91.4Very high90Very high113 Ų11345.4 Ų45.443%0.42622%0.221SC..  trans-8561.5175.1-67.2171.559-172.4-0.5110.8A842 E845 N849 D850 A851A842-R847 HydrophobicContact CB-CB 4.25Å; A842-R847 CarbonylContact O-C 3.47Å; A842-R847 WeakPolarHBondContact O-CA 3.35Å; A842-R847 PolarHBondContact O-N 3.31Å; E845-R847 HydrophobicContact CB-CG 4.19Å; E845-R847 PolarHBondContact O-N 3.36Å; E845-R847 WeakPolarHBondContact OE2-CD 3.11Å; E845-R847 IonicContact OE2-NH1 2.83Å; E845-R847 PolarHBondContact OE2-NH1 2.95Å; R847-N849 VanDerWaalsContact C-N 3.3Å; R847-N849 PolarHBondContact O-N 2.96Å; R847-D850 HydrophobicContact CB-CB 4.24Å; R847-D850 IonicContact CZ-OD2 2.59Å; R847-D850 IonicContact NE-OD2 3.59Å; R847-D850 PolarHBondContact NE-OD2 2.93Å; R847-D850 IonicContact NH2-OD2 3.98Å; R847-D850 PolarHBondContact NH2-OD2 3.34Å; R847-D850 WeakPolarHBondContact O-CB 3.25Å; R847-D850 PolarHBondContact O-N 2.83Å; R847-A851 PolarHBondContact O-N 2.95Å
848F92.6Very high90.1Very high3 Ų340.5 Ų40.51%0.01320%0.198CC..Hα-helixtrans-64.9-28.2-170.2-59.1-64.4000114.7V843 N846 A851 G852 Y890 Y893 Q897 G930V843-F848 HydrophobicContact CG1-CE1 4.44Å; N846-F848 HydrophobicContact CB-CD2 4.42Å; N846-F848 HydrophobicContact CB-CE2 3.67Å; N846-F848 HydrophobicContact CB-CZ 4.01Å; N846-F848 VanDerWaalsContact O-CD2 3.26Å; N846-F848 WeakPolarHBondContact O-CD2 3.32Å; N846-F848 PolarHBondContact O-N 2.92Å; N846-F848 VanDerWaalsContact O-N 3.07Å; N846-F848 WeakPolarHBondContact OD1-CZ 3.11Å; F848-A851 PolarHBondContact O-N 2.78Å; F848-G852 PolarHBondContact O-N 3.34Å; F848-Y890 AromaticContact CD1-CD1 3.69Å; F848-Y890 HydrophobicContact CD1-CD1 3.69Å; F848-Y890 HydrophobicContact CD1-CE1 4.04Å; F848-Y890 HydrophobicContact CE1-CD1 4.39Å; F848-Y890 HydrophobicContact CE1-CE1 4.31Å; F848-Y893 HydrophobicContact CB-CD1 4.47Å; F848-Y893 HydrophobicContact CD1-CD1 4.1Å; F848-Y893 HydrophobicContact CD1-CE1 4.49Å; F848-Y893 AromaticContact CD2-CD1 3.72Å; F848-Y893 HydrophobicContact CD2-CD1 3.72Å; F848-Y893 AromaticContact CD2-CE1 3.77Å; F848-Y893 HydrophobicContact CD2-CE1 3.77Å; F848-Y893 HydrophobicContact CE1-CD1 4.25Å; F848-Y893 HydrophobicContact CE1-CE1 4.23Å; F848-Y893 AromaticContact CE2-CD1 3.9Å; F848-Y893 HydrophobicContact CE2-CD1 3.9Å; F848-Y893 AromaticContact CE2-CE1 3.48Å; F848-Y893 HydrophobicContact CE2-CE1 3.48Å; F848-Y893 VanDerWaalsContact CE2-CE1 3.48Å; F848-Y893 AromaticContact CG-CD1 3.82Å; F848-Y893 HydrophobicContact CG-CD1 3.82Å; F848-Y893 HydrophobicContact CG-CE1 4.27Å; F848-Y893 HydrophobicContact CZ-CD1 4.16Å; F848-Y893 AromaticContact CZ-CE1 3.72Å; F848-Y893 HydrophobicContact CZ-CE1 3.72Å; F848-Q897 HydrophobicContact CD2-CB 4.24Å; F848-Q897 HydrophobicContact CD2-CG 4.17Å; F848-Q897 HydrophobicContact CE2-CB 4.44Å; F848-Q897 HydrophobicContact CE2-CG 4.03Å; F848-G930 VanDerWaalsContact CZ-O 3.31Å; F848-G930 WeakPolarHBondContact CZ-O 3.35Å
849N90.7Very high90.3Very high69 Ų6939.4 Ų39.437%0.36919%0.192SC..Hα-helixtrans-68-36.7174-168.921.5000111.9R847 Y853 R1174R847-N849 VanDerWaalsContact C-N 3.3Å; R847-N849 PolarHBondContact O-N 2.96Å; N849-Y853 PolarHBondContact O-N 3.43Å; N849-R1174 PolarHBondContact O-NH2 3.28Å
850D90.1Very high90.3Very high28 Ų2841.1 Ų41.115%0.1520%0.201CC..Hα-helixtrans-70.5-40.9172.7-66-39.6000111.2A842 R847 G852 Y853 Y854 R1174A842-D850 HydrophobicContact CB-CB 4.17Å; R847-D850 HydrophobicContact CB-CB 4.24Å; R847-D850 IonicContact CZ-OD2 2.59Å; R847-D850 IonicContact NE-OD2 3.59Å; R847-D850 PolarHBondContact NE-OD2 2.93Å; R847-D850 IonicContact NH2-OD2 3.98Å; R847-D850 PolarHBondContact NH2-OD2 3.34Å; R847-D850 WeakPolarHBondContact O-CB 3.25Å; R847-D850 PolarHBondContact O-N 2.83Å; D850-G852 VanDerWaalsContact C-N 3.33Å; D850-G852 PolarHBondContact O-N 3.15Å; D850-Y853 PolarHBondContact O-N 3.47Å; D850-Y854 HydrophobicContact CB-CD2 4.36Å; D850-Y854 HydrophobicContact CB-CE2 3.88Å; D850-Y854 VanDerWaalsContact O-CD2 3.23Å; D850-Y854 WeakPolarHBondContact O-CD2 3.49Å; D850-Y854 VanDerWaalsContact O-CG 3.22Å; D850-Y854 PolarHBondContact O-N 3.45Å; D850-R1174 IonicContact OD1-CZ 3.86Å; D850-R1174 VanDerWaalsContact OD1-CZ 3.23Å; D850-R1174 IonicContact OD1-NH1 2.72Å; D850-R1174 PolarHBondContact OD1-NH1 3Å; D850-R1174 IonicContact OD1-NH2 2.66Å; D850-R1174 PolarHBondContact OD1-NH2 3.46Å
851A91.6Very high90.1Very high0 Ų036.6 Ų36.60%018%0.179CC..Hα-helixtrans-57.9-45.4174.800000111.6A842 V843 R847 F848 Y853 Y854 Y855 Y890A842-A851 HydrophobicContact CB-CB 3.97Å; V843-A851 HydrophobicContact CG2-CB 3.72Å; R847-A851 PolarHBondContact O-N 2.95Å; F848-A851 PolarHBondContact O-N 2.78Å; A851-Y853 VanDerWaalsContact C-N 3.35Å; A851-Y853 PolarHBondContact O-N 3.04Å; A851-Y854 PolarHBondContact O-N 3.34Å; A851-Y855 WeakPolarHBondContact O-CD2 3.44Å; A851-Y855 PolarHBondContact O-N 3.24Å; A851-Y890 HydrophobicContact CB-CD1 4.48Å; A851-Y890 HydrophobicContact CB-CG 4.27Å
852G91.5Very high89.9Confident2 Ų234.1 Ų34.12%0.02117%0.167CC..Hα-helixtrans-57.4-46.9175.900000112.4F848 D850 Y855 W856 A887F848-G852 PolarHBondContact O-N 3.34Å; D850-G852 VanDerWaalsContact C-N 3.33Å; D850-G852 PolarHBondContact O-N 3.15Å; G852-Y855 PolarHBondContact O-N 3.38Å; G852-W856 PolarHBondContact O-N 3.31Å; G852-W856 VanDerWaalsContact O-N 3.1Å; G852-A887 WeakPolarHBondContact CA-O 3.33Å; G852-A887 VanDerWaalsContact O-CB 3.23Å; G852-A887 WeakPolarHBondContact O-CB 3.45Å
853Y91.2Very high89.7Confident15 Ų1534.1 Ų34.16%0.05917%0.167CC..Hα-helixtrans-64.1-44.7177.4175.1-107.2000113.2E816 N849 D850 A851 Y855 W856 M857 C1173 R1174E816-Y853 HydrophobicContact CG-CE1 4.22Å; E816-Y853 WeakPolarHBondContact OE1-CE1 3.44Å; E816-Y853 PolarHBondContact OE2-OH 3.46Å; N849-Y853 PolarHBondContact O-N 3.43Å; D850-Y853 PolarHBondContact O-N 3.47Å; A851-Y853 VanDerWaalsContact C-N 3.35Å; A851-Y853 PolarHBondContact O-N 3.04Å; Y853-Y855 PolarHBondContact O-N 3.5Å; Y853-W856 HydrophobicContact CD2-CE3 4.03Å; Y853-W856 HydrophobicContact CD2-CZ3 4.5Å; Y853-W856 AromaticContact CE2-CE3 3.71Å; Y853-W856 HydrophobicContact CE2-CE3 3.71Å; Y853-W856 AromaticContact CE2-CZ3 3.75Å; Y853-W856 HydrophobicContact CE2-CZ3 3.75Å; Y853-W856 WeakPolarHBondContact O-CB 3.49Å; Y853-W856 PolarHBondContact O-N 2.87Å; Y853-W856 VanDerWaalsContact O-N 3.16Å; Y853-M857 HydrophobicContact CD1-SD 4.16Å; Y853-M857 HydrophobicContact CE1-CG 3.97Å; Y853-M857 HydrophobicContact CE1-SD 3.33Å; Y853-M857 WeakPolarHBondContact CE1-SD 3.4Å; Y853-M857 HydrophobicContact CE2-CG 4.22Å; Y853-M857 VanDerWaalsContact CZ-SD 3.58Å; Y853-M857 PolarHBondContact O-N 2.86Å; Y853-C1173 VanDerWaalsContact CE2-O 3.24Å; Y853-C1173 WeakPolarHBondContact CE2-O 3.41Å; Y853-R1174 HydrophobicContact CD2-CB 4.26Å; Y853-R1174 HydrophobicContact CD2-CG 3.77Å; Y853-R1174 HydrophobicContact CE2-CB 3.88Å; Y853-R1174 HydrophobicContact CE2-CG 3.9Å; Y853-R1174 HydrophobicContact CG-CG 4.21Å
854Y91.1Very high89.3Confident22 Ų2236.8 Ų36.89%0.08618%0.181CC..Hα-helixtrans-68-34.8179.7-61.6-33.7000112.6L838 A842 D850 A851 W856 M857 L858L838-Y854 HydrophobicContact CB-CD2 3.96Å; L838-Y854 HydrophobicContact CB-CE2 3.93Å; L838-Y854 HydrophobicContact CB-CG 4.47Å; A842-Y854 HydrophobicContact CB-CD2 4.15Å; A842-Y854 HydrophobicContact CB-CE2 4.18Å; D850-Y854 HydrophobicContact CB-CD2 4.36Å; D850-Y854 HydrophobicContact CB-CE2 3.88Å; D850-Y854 VanDerWaalsContact O-CD2 3.23Å; D850-Y854 WeakPolarHBondContact O-CD2 3.49Å; D850-Y854 VanDerWaalsContact O-CG 3.22Å; D850-Y854 PolarHBondContact O-N 3.45Å; A851-Y854 PolarHBondContact O-N 3.34Å; Y854-W856 VanDerWaalsContact C-N 3.33Å; Y854-M857 HydrophobicContact CD1-SD 4.29Å; Y854-M857 PolarHBondContact O-N 3.37Å; Y854-L858 WeakPolarHBondContact O-CG 3.44Å; Y854-L858 PolarHBondContact O-N 2.95Å
855Y91.9Very high88.9Confident36 Ų3633.2 Ų33.214%0.14116%0.158CC..Hα-helixtrans-63.9-38.4170.6-85.2-61.4000111.9T839 V843 A851 G852 Y853 L858 S859 F883 L886 Y890T839-Y855 HydrophobicContact CG2-CD1 3.98Å; T839-Y855 HydrophobicContact CG2-CD2 3.8Å; T839-Y855 HydrophobicContact CG2-CE1 4.12Å; T839-Y855 HydrophobicContact CG2-CE2 3.93Å; T839-Y855 HydrophobicContact CG2-CG 3.81Å; V843-Y855 HydrophobicContact CG2-CE2 4.49Å; A851-Y855 WeakPolarHBondContact O-CD2 3.44Å; A851-Y855 PolarHBondContact O-N 3.24Å; G852-Y855 PolarHBondContact O-N 3.38Å; Y853-Y855 PolarHBondContact O-N 3.5Å; Y855-L858 HydrophobicContact CD1-CD1 4.24Å; Y855-L858 PolarHBondContact O-N 3.46Å; Y855-S859 PolarHBondContact O-N 2.97Å; Y855-F883 HydrophobicContact CD1-CB 4.47Å; Y855-F883 AromaticContact CD1-CD1 3.55Å; Y855-F883 HydrophobicContact CD1-CD1 3.55Å; Y855-F883 HydrophobicContact CD1-CE1 4.09Å; Y855-F883 HydrophobicContact CD1-CG 4.25Å; Y855-F883 AromaticContact CE1-CD1 3.8Å; Y855-F883 HydrophobicContact CE1-CD1 3.8Å; Y855-F883 AromaticContact CE1-CE1 3.93Å; Y855-F883 HydrophobicContact CE1-CE1 3.93Å; Y855-L886 HydrophobicContact CD1-CB 4.18Å; Y855-L886 HydrophobicContact CD1-CD1 4.3Å; Y855-L886 HydrophobicContact CD2-CB 4.25Å; Y855-L886 HydrophobicContact CE1-CB 4.44Å; Y855-L886 HydrophobicContact CE1-CD1 3.9Å; Y855-L886 HydrophobicContact CG-CB 4.08Å; Y855-Y890 AromaticContact CD2-CD2 3.61Å; Y855-Y890 HydrophobicContact CD2-CD2 3.61Å; Y855-Y890 AromaticContact CD2-CE2 3.88Å; Y855-Y890 HydrophobicContact CD2-CE2 3.88Å; Y855-Y890 AromaticContact CE2-CD2 3.54Å; Y855-Y890 HydrophobicContact CE2-CD2 3.54Å; Y855-Y890 AromaticContact CE2-CE2 3.29Å; Y855-Y890 HydrophobicContact CE2-CE2 3.29Å
856W92.1Very high88.7Confident24 Ų2427.9 Ų27.99%0.09113%0.133CC..Hα-helixtrans-61.5-43.9172.5172.681.8000111.3G852 Y853 Y854 L858 S859 M860 A887 C1151 Y1172 C1173G852-W856 PolarHBondContact O-N 3.31Å; G852-W856 VanDerWaalsContact O-N 3.1Å; Y853-W856 HydrophobicContact CD2-CE3 4.03Å; Y853-W856 HydrophobicContact CD2-CZ3 4.5Å; Y853-W856 AromaticContact CE2-CE3 3.71Å; Y853-W856 HydrophobicContact CE2-CE3 3.71Å; Y853-W856 AromaticContact CE2-CZ3 3.75Å; Y853-W856 HydrophobicContact CE2-CZ3 3.75Å; Y853-W856 WeakPolarHBondContact O-CB 3.49Å; Y853-W856 PolarHBondContact O-N 2.87Å; Y853-W856 VanDerWaalsContact O-N 3.16Å; Y854-W856 VanDerWaalsContact C-N 3.33Å; W856-L858 PolarHBondContact O-N 2.82Å; W856-S859 PolarHBondContact O-N 2.84Å; W856-S859 PolarHBondContact O-OG 3.29Å; W856-M860 HydrophobicContact CD2-CG 4.48Å; W856-M860 HydrophobicContact CZ2-CG 4.02Å; W856-M860 PolarHBondContact O-N 3.08Å; W856-M860 VanDerWaalsContact O-N 3.14Å; W856-A887 HydrophobicContact CB-CB 4.06Å; W856-C1151 HydrophobicContact CZ2-CB 4.23Å; W856-Y1172 HydrophobicContact CB-CE1 4.29Å; W856-Y1172 AromaticContact CD1-CE1 3.92Å; W856-Y1172 HydrophobicContact CG-CE1 4.24Å; W856-C1173 HydrophobicContact CD2-CB 3.9Å; W856-C1173 HydrophobicContact CE3-CB 3.95Å; W856-C1173 HydrophobicContact CH2-CB 3.63Å; W856-C1173 HydrophobicContact CZ2-CB 3.57Å; W856-C1173 HydrophobicContact CZ3-CB 3.82Å
857M88.3Confident88.3Confident18 Ų1830.8 Ų30.89%0.08914%0.137CC..Hα-helixtrans-62.2-43.8175.4-69-175.768.900113.2E816 L835 Y853 Y854 S859 M860 Q861E816-M857 HydrophobicContact CB-CE 4.19Å; E816-M857 HydrophobicContact CG-CE 3.99Å; E816-M857 HydrophobicContact CG-SD 3.92Å; L835-M857 HydrophobicContact CD1-CB 3.81Å; L835-M857 HydrophobicContact CD1-CE 4.14Å; L835-M857 HydrophobicContact CD2-CE 3.94Å; L835-M857 HydrophobicContact CD2-SD 4.11Å; Y853-M857 HydrophobicContact CD1-SD 4.16Å; Y853-M857 HydrophobicContact CE1-CG 3.97Å; Y853-M857 HydrophobicContact CE1-SD 3.33Å; Y853-M857 WeakPolarHBondContact CE1-SD 3.4Å; Y853-M857 HydrophobicContact CE2-CG 4.22Å; Y853-M857 VanDerWaalsContact CZ-SD 3.58Å; Y853-M857 PolarHBondContact O-N 2.86Å; Y854-M857 HydrophobicContact CD1-SD 4.29Å; Y854-M857 PolarHBondContact O-N 3.37Å; M857-S859 VanDerWaalsContact C-N 3.26Å; M857-S859 PolarHBondContact O-N 3.33Å; M857-M860 PolarHBondContact O-N 3.28Å; M857-M860 VanDerWaalsContact O-N 3.14Å; M857-Q861 PolarHBondContact O-N 2.78Å
858L88.4Confident87.7Confident3 Ų330.9 Ų30.92%0.01614%0.142CC..Hα-helixtrans-58.4-40.9176.1-80.3170000111.3V832 L835 E836 T839 Y854 Y855 W856 M860 Q861 C862 F883V832-L858 HydrophobicContact CG1-CD2 4.35Å; L835-L858 HydrophobicContact CB-CD2 3.53Å; L835-L858 HydrophobicContact CB-CG 3.89Å; L835-L858 HydrophobicContact CD1-CD2 4.19Å; L835-L858 HydrophobicContact CD1-CG 4.32Å; E836-L858 HydrophobicContact CG-CD1 4.37Å; E836-L858 HydrophobicContact CG-CD2 4Å; T839-L858 HydrophobicContact CG2-CD1 3.8Å; Y854-L858 WeakPolarHBondContact O-CG 3.44Å; Y854-L858 PolarHBondContact O-N 2.95Å; Y855-L858 HydrophobicContact CD1-CD1 4.24Å; Y855-L858 PolarHBondContact O-N 3.46Å; W856-L858 PolarHBondContact O-N 2.82Å; L858-M860 PolarHBondContact O-N 2.91Å; L858-Q861 PolarHBondContact O-N 3.4Å; L858-C862 PolarHBondContact O-N 3.42Å; L858-C862 PolarHBondContact O-SG 3.49Å; L858-C862 VanDerWaalsContact O-SG 3.33Å; L858-F883 HydrophobicContact CB-CD2 3.82Å; L858-F883 HydrophobicContact CB-CE2 4.03Å; L858-F883 HydrophobicContact CB-CG 4.28Å
859S90.3Very high86.9Confident0 Ų033.5 Ų33.50%016%0.156CC..Hα-helixtrans-60.8-46.3175.179.40000111.3Y855 W856 M857 Q861 C862 L863 F880 Q884Y855-S859 PolarHBondContact O-N 2.97Å; W856-S859 PolarHBondContact O-N 2.84Å; W856-S859 PolarHBondContact O-OG 3.29Å; M857-S859 VanDerWaalsContact C-N 3.26Å; M857-S859 PolarHBondContact O-N 3.33Å; S859-Q861 VanDerWaalsContact C-N 3.29Å; S859-Q861 PolarHBondContact O-N 3.25Å; S859-C862 WeakPolarHBondContact O-CB 3.32Å; S859-C862 PolarHBondContact O-N 3.47Å; S859-L863 PolarHBondContact O-N 3.06Å; S859-F880 WeakPolarHBondContact O-CD2 3.21Å; S859-Q884 PolarHBondContact OG-NE2 3.42Å
860M87.6Confident86.2Confident40 Ų4035 Ų3520%0.19717%0.168CC..Hα-helixtrans-62.5-36.7179.7-68.5-54-52.200112W856 M857 L858 L863 D864 F880 W1127W856-M860 HydrophobicContact CD2-CG 4.48Å; W856-M860 HydrophobicContact CZ2-CG 4.02Å; W856-M860 PolarHBondContact O-N 3.08Å; W856-M860 VanDerWaalsContact O-N 3.14Å; M857-M860 PolarHBondContact O-N 3.28Å; M857-M860 VanDerWaalsContact O-N 3.14Å; L858-M860 PolarHBondContact O-N 2.91Å; M860-L863 HydrophobicContact CE-CD2 4Å; M860-L863 WeakPolarHBondContact O-CB 3.29Å; M860-L863 PolarHBondContact O-N 3.06Å; M860-D864 PolarHBondContact O-N 2.99Å; M860-F880 HydrophobicContact SD-CE2 4.35Å; M860-W1127 HydrophobicContact SD-CZ3 4.13Å
861Q84.6Confident85.6Confident14 Ų1442.3 Ų42.37%0.06520%0.201CC..Hα-helixtrans-64.9-41.5172-72.2-173.9-8.700113.1V832 L835 M857 L858 S859 L863 D864 I865V832-Q861 VanDerWaalsContact CG2-OE1 3.32Å; L835-Q861 VanDerWaalsContact CD1-CD 3.43Å; L835-Q861 HydrophobicContact CD1-CG 4.27Å; M857-Q861 PolarHBondContact O-N 2.78Å; L858-Q861 PolarHBondContact O-N 3.4Å; S859-Q861 VanDerWaalsContact C-N 3.29Å; S859-Q861 PolarHBondContact O-N 3.25Å; Q861-L863 PolarHBondContact O-N 2.84Å; Q861-D864 PolarHBondContact O-N 3.19Å; Q861-I865 VanDerWaalsContact O-CG1 3.31Å; Q861-I865 WeakPolarHBondContact O-CG1 3.34Å; Q861-I865 PolarHBondContact O-N 3Å
862C86.3Confident85Confident10 Ų1046.5 Ų46.57%0.06822%0.221CC..Hα-helixtrans-58-38.6173.8-69.20000110.6L858 S859 I865 A866 M876 F880L858-C862 PolarHBondContact O-N 3.42Å; L858-C862 PolarHBondContact O-SG 3.49Å; L858-C862 VanDerWaalsContact O-SG 3.33Å; S859-C862 WeakPolarHBondContact O-CB 3.32Å; S859-C862 PolarHBondContact O-N 3.47Å; C862-I865 PolarHBondContact O-N 2.95Å; C862-A866 VanDerWaalsContact O-CB 3.23Å; C862-A866 WeakPolarHBondContact O-CB 3.33Å; C862-A866 PolarHBondContact O-N 3.4Å; C862-M876 HydrophobicContact CB-CB 4.29Å; C862-M876 WeakPolarHBondContact CB-O 3.26Å; C862-M876 HydrophobicContact CB-SD 4.42Å; C862-M876 WeakPolarHBondContact O-CB 3.37Å; C862-F880 HydrophobicContact CB-CB 4.33Å
863L84.9Confident84.6Confident1 Ų150.5 Ų50.51%0.00524%0.235CC..Hα-helixtrans-65.4-41.2175.9-171.764.3000112.6S859 M860 Q861 A866 R867 L877 F880 P1128 P1130 L1131S859-L863 PolarHBondContact O-N 3.06Å; M860-L863 HydrophobicContact CE-CD2 4Å; M860-L863 WeakPolarHBondContact O-CB 3.29Å; M860-L863 PolarHBondContact O-N 3.06Å; Q861-L863 PolarHBondContact O-N 2.84Å; L863-A866 PolarHBondContact O-N 3.48Å; L863-R867 PolarHBondContact O-N 2.63Å; L863-R867 VanDerWaalsContact O-N 3.08Å; L863-L877 HydrophobicContact CD1-CD2 4.08Å; L863-F880 HydrophobicContact CB-CD2 4.1Å; L863-F880 HydrophobicContact CB-CE2 4.43Å; L863-F880 HydrophobicContact CD2-CE2 4.33Å; L863-P1128 HydrophobicContact CD2-CB 4.37Å; L863-P1128 HydrophobicContact CD2-CG 3.83Å; L863-P1130 HydrophobicContact CD1-CG 4.45Å; L863-L1131 HydrophobicContact CD1-CD1 3.63Å; L863-L1131 HydrophobicContact CD1-CG 3.75Å; L863-L1131 HydrophobicContact CD2-CD1 4.01Å; L863-L1131 HydrophobicContact CG-CD1 4.49Å
864D82.8Confident84.4Confident68 Ų6857.1 Ų57.136%0.36426%0.264SS..Hα-helixtrans-65.5-43.9175.8-71.5-27.6000112M860 Q861 A866 R867 E868M860-D864 PolarHBondContact O-N 2.99Å; Q861-D864 PolarHBondContact O-N 3.19Å; D864-A866 VanDerWaalsContact C-N 3.34Å; D864-A866 PolarHBondContact O-N 2.83Å; D864-R867 VanDerWaalsContact O-CB 3.31Å; D864-R867 WeakPolarHBondContact O-CB 3.32Å; D864-R867 PolarHBondContact O-N 2.8Å; D864-R867 VanDerWaalsContact O-N 3.11Å; D864-E868 PolarHBondContact O-N 2.87Å; D864-E868 VanDerWaalsContact O-N 3.07Å
865I81.9Confident84.2Confident22 Ų2260.6 Ų60.611%0.11328%0.281CS..Hα-helixtrans-63.9-40.9175.7-64.3166.1000110.4V832 Q861 C862 R867 E868 N869 M876V832-I865 HydrophobicContact CG2-CD1 3.92Å; Q861-I865 VanDerWaalsContact O-CG1 3.31Å; Q861-I865 WeakPolarHBondContact O-CG1 3.34Å; Q861-I865 PolarHBondContact O-N 3Å; C862-I865 PolarHBondContact O-N 2.95Å; I865-R867 PolarHBondContact O-N 3.47Å; I865-E868 PolarHBondContact O-N 2.91Å; I865-N869 PolarHBondContact O-N 3.13Å; I865-M876 HydrophobicContact CB-CG 4.29Å; I865-M876 HydrophobicContact CG2-CG 3.9Å; I865-M876 HydrophobicContact CG2-SD 4.27Å
866A83.8Confident84Confident0 Ų059.6 Ų59.60%028%0.278CS..Hα-helixtrans-63-26.4175.900000113C862 L863 D864 R873 M876 L877 P1130C862-A866 VanDerWaalsContact O-CB 3.23Å; C862-A866 WeakPolarHBondContact O-CB 3.33Å; C862-A866 PolarHBondContact O-N 3.4Å; L863-A866 PolarHBondContact O-N 3.48Å; D864-A866 VanDerWaalsContact C-N 3.34Å; D864-A866 PolarHBondContact O-N 2.83Å; A866-R873 HydrophobicContact CB-CG 4.25Å; A866-R873 PolarHBondContact O-NE 3.39Å; A866-R873 PolarHBondContact O-NH2 3.38Å; A866-M876 HydrophobicContact CB-CB 3.85Å; A866-L877 HydrophobicContact CB-CG 4.4Å; A866-P1130 HydrophobicContact CB-CG 4.41Å
867R82.1Confident83.8Confident159 Ų15960.5 Ų60.560%0.628%0.284SS*.Hα-helixtrans-76.6-45.5176.3-175-179.3177-177.80111.5L863 D864 I865L863-R867 PolarHBondContact O-N 2.63Å; L863-R867 VanDerWaalsContact O-N 3.08Å; D864-R867 VanDerWaalsContact O-CB 3.31Å; D864-R867 WeakPolarHBondContact O-CB 3.32Å; D864-R867 PolarHBondContact O-N 2.8Å; D864-R867 VanDerWaalsContact O-N 3.11Å; I865-R867 PolarHBondContact O-N 3.47Å
868E77.3Confident83.8Confident114 Ų11465 Ų6553%0.53331%0.305SS..Hα-helixtrans-79.8-38.9-177.2-67.1-175.3-170.200113.6H823 Q828 D864 I865H823-E868 IonicContact CE1-OE1 2.75Å; H823-E868 IonicContact NE2-OE1 3.1Å; Q828-E868 PolarHBondContact NE2-OE2 2.99Å; D864-E868 PolarHBondContact O-N 2.87Å; D864-E868 VanDerWaalsContact O-N 3.07Å; I865-E868 PolarHBondContact O-N 2.91Å
869N77.4Confident83.8Confident59 Ų5968.7 Ų68.732%0.31632%0.321SS..  trans-111.2105.6-175.7-164.9-5000112I865 E871 R873I865-N869 PolarHBondContact O-N 3.13Å; N869-E871 VanDerWaalsContact C-N 3.29Å; N869-E871 PolarHBondContact O-N 3.42Å; N869-E871 PolarHBondContact OD1-N 3.03Å; N869-R873 PolarHBondContact O-N 3.14Å
870T75.1Confident83.9Confident99 Ų9969.3 Ų69.361%0.60732%0.324SS*.SBendtrans-67.3-27.4-176.3-28.20000113.2
871E77.6Confident83.9Confident183 Ų18373.7 Ų73.786%0.85534%0.344SS*.SBendtrans-74.6-36.3-176.5-64.9-169.2164.900112.8N869N869-E871 VanDerWaalsContact C-N 3.29Å; N869-E871 PolarHBondContact O-N 3.42Å; N869-E871 PolarHBondContact OD1-N 3.03Å
872Q78.3Confident84.2Confident87 Ų8776.1 Ų76.141%0.40736%0.362SS..SBendtrans-92.41.7-179.4-68.1177.5-14.100113.3K874 E875 M876Q872-K874 PolarHBondContact O-N 3.47Å; Q872-E875 PolarHBondContact O-N 3.42Å; Q872-M876 HydrophobicContact CB-CG 4.25Å; Q872-M876 WeakPolarHBondContact O-CG 3.47Å; Q872-M876 PolarHBondContact O-N 3.01Å
873R83.9Confident84.5Confident86 Ų8677.1 Ų77.133%0.32537%0.366SS..Hα-helixtrans-54.3-45.7-170.9178.3173-67.6160.54113.8A866 N869 L877 P1130A866-R873 HydrophobicContact CB-CG 4.25Å; A866-R873 PolarHBondContact O-NE 3.39Å; A866-R873 PolarHBondContact O-NH2 3.38Å; N869-R873 PolarHBondContact O-N 3.14Å; R873-L877 HydrophobicContact CG-CD1 3.99Å; R873-L877 WeakPolarHBondContact O-CB 3.43Å; R873-L877 VanDerWaalsContact O-CG 3.25Å; R873-L877 WeakPolarHBondContact O-CG 3.28Å; R873-L877 PolarHBondContact O-N 2.93Å; R873-P1130 HydrophobicContact CG-CG 4.47Å
874K86.3Confident84.8Confident155 Ų15578.3 Ų78.367%0.67437%0.371SS*.Hα-helixtrans-66.2-47.5-177.3-172.3-176.1174.7-169.20111.6Q872 M876 L877 E878Q872-K874 PolarHBondContact O-N 3.47Å; K874-M876 VanDerWaalsContact C-N 3.33Å; K874-M876 PolarHBondContact O-N 3.41Å; K874-L877 PolarHBondContact O-N 2.94Å; K874-E878 VanDerWaalsContact CE-OE1 3.3Å; K874-E878 WeakPolarHBondContact CE-OE1 3.24Å; K874-E878 PolarHBondContact O-N 3.25Å; K874-E878 VanDerWaalsContact O-N 3.08Å
875E87.4Confident85.1Confident95 Ų9578.8 Ų78.844%0.44437%0.371SS..Hα-helixtrans-61.3-43178.7-172.1-166.9153.400111.4Q872 L877 E878 K879Q872-E875 PolarHBondContact O-N 3.42Å; E875-L877 VanDerWaalsContact C-N 3.34Å; E875-L877 PolarHBondContact O-N 3.1Å; E875-E878 PolarHBondContact O-N 3.2Å; E875-K879 WeakPolarHBondContact O-CG 3.15Å; E875-K879 PolarHBondContact O-N 3.09Å; E875-K879 VanDerWaalsContact OE1-CE 3.26Å; E875-K879 WeakPolarHBondContact OE1-CE 3.31Å; E875-K879 IonicContact OE1-NZ 3.76Å; E875-K879 PolarHBondContact OE1-NZ 3.32Å
876M87.4Confident85.5Confident15 Ų1579 Ų797%0.07437%0.372CS..Hα-helixtrans-68.4-32.5179-68.4-54.9106.300112.7C862 I865 A866 Q872 K874 K879 F880C862-M876 HydrophobicContact CB-CB 4.29Å; C862-M876 WeakPolarHBondContact CB-O 3.26Å; C862-M876 HydrophobicContact CB-SD 4.42Å; C862-M876 WeakPolarHBondContact O-CB 3.37Å; I865-M876 HydrophobicContact CB-CG 4.29Å; I865-M876 HydrophobicContact CG2-CG 3.9Å; I865-M876 HydrophobicContact CG2-SD 4.27Å; A866-M876 HydrophobicContact CB-CB 3.85Å; Q872-M876 HydrophobicContact CB-CG 4.25Å; Q872-M876 WeakPolarHBondContact O-CG 3.47Å; Q872-M876 PolarHBondContact O-N 3.01Å; K874-M876 VanDerWaalsContact C-N 3.33Å; K874-M876 PolarHBondContact O-N 3.41Å; M876-K879 HydrophobicContact CE-CD 3.84Å; M876-K879 PolarHBondContact O-N 3.21Å; M876-K879 HydrophobicContact SD-CD 4.43Å; M876-F880 WeakPolarHBondContact O-CB 3.42Å; M876-F880 PolarHBondContact O-N 3.31Å
877L88.2Confident86Confident42 Ų4279 Ų7922%0.2237%0.372CS..Hα-helixtrans-70-37.5174.1-72.9173.5000112.4L863 A866 R873 K874 E875 F880 E881 P1130 L1131L863-L877 HydrophobicContact CD1-CD2 4.08Å; A866-L877 HydrophobicContact CB-CG 4.4Å; R873-L877 HydrophobicContact CG-CD1 3.99Å; R873-L877 WeakPolarHBondContact O-CB 3.43Å; R873-L877 VanDerWaalsContact O-CG 3.25Å; R873-L877 WeakPolarHBondContact O-CG 3.28Å; R873-L877 PolarHBondContact O-N 2.93Å; K874-L877 PolarHBondContact O-N 2.94Å; E875-L877 VanDerWaalsContact C-N 3.34Å; E875-L877 PolarHBondContact O-N 3.1Å; L877-F880 WeakPolarHBondContact O-CB 3.42Å; L877-F880 PolarHBondContact O-N 3.43Å; L877-E881 PolarHBondContact O-N 2.86Å; L877-E881 VanDerWaalsContact O-N 3.15Å; L877-P1130 HydrophobicContact CD1-CG 4.23Å; L877-P1130 HydrophobicContact CD2-CG 4.12Å; L877-L1131 HydrophobicContact CD2-CD2 3.94Å; L877-L1131 HydrophobicContact CD2-CG 4.32Å
878E89.1Confident86.4Confident112 Ų11273.1 Ų73.152%0.52335%0.351SS..Hα-helixtrans-63.7-41.7172.5-71172.1-172.200111.2K874 E875 E881 S882K874-E878 VanDerWaalsContact CE-OE1 3.3Å; K874-E878 WeakPolarHBondContact CE-OE1 3.24Å; K874-E878 PolarHBondContact O-N 3.25Å; K874-E878 VanDerWaalsContact O-N 3.08Å; E875-E878 PolarHBondContact O-N 3.2Å; E878-E881 PolarHBondContact O-N 3.41Å; E878-S882 PolarHBondContact O-N 2.97Å; E878-S882 VanDerWaalsContact O-N 3.11Å
879K88.4Confident87.1Confident82 Ų8267.8 Ų67.836%0.35733%0.327SS..Hα-helixtrans-65.6-37.2173.6-71.6-177.7-172.2171.80112.8E875 M876 S882 F883E875-K879 WeakPolarHBondContact O-CG 3.15Å; E875-K879 PolarHBondContact O-N 3.09Å; E875-K879 VanDerWaalsContact OE1-CE 3.26Å; E875-K879 WeakPolarHBondContact OE1-CE 3.31Å; E875-K879 IonicContact OE1-NZ 3.76Å; E875-K879 PolarHBondContact OE1-NZ 3.32Å; M876-K879 HydrophobicContact CE-CD 3.84Å; M876-K879 PolarHBondContact O-N 3.21Å; M876-K879 HydrophobicContact SD-CD 4.43Å; K879-S882 PolarHBondContact O-N 3.48Å; K879-F883 HydrophobicContact CB-CD2 4.36Å; K879-F883 HydrophobicContact CB-CE2 4.19Å; K879-F883 WeakPolarHBondContact O-CB 3.41Å; K879-F883 VanDerWaalsContact O-CD2 3.32Å; K879-F883 WeakPolarHBondContact O-CD2 3.38Å; K879-F883 WeakPolarHBondContact O-CG 3.41Å; K879-F883 PolarHBondContact O-N 3.05Å
880F90.8Very high87.8Confident13 Ų1365.1 Ų65.16%0.05731%0.312CS..Hα-helixtrans-57.1-51.2175.1167.1-92.4000111.2S859 M860 C862 L863 M876 L877 S882 F883 Q884 W1127 L1131S859-F880 WeakPolarHBondContact O-CD2 3.21Å; M860-F880 HydrophobicContact SD-CE2 4.35Å; C862-F880 HydrophobicContact CB-CB 4.33Å; L863-F880 HydrophobicContact CB-CD2 4.1Å; L863-F880 HydrophobicContact CB-CE2 4.43Å; L863-F880 HydrophobicContact CD2-CE2 4.33Å; M876-F880 WeakPolarHBondContact O-CB 3.42Å; M876-F880 PolarHBondContact O-N 3.31Å; L877-F880 WeakPolarHBondContact O-CB 3.42Å; L877-F880 PolarHBondContact O-N 3.43Å; F880-S882 PolarHBondContact O-N 3.3Å; F880-F883 PolarHBondContact O-N 3.4Å; F880-Q884 HydrophobicContact CD1-CG 4.47Å; F880-Q884 HydrophobicContact CD2-CG 4.34Å; F880-Q884 HydrophobicContact CE1-CG 4.09Å; F880-Q884 HydrophobicContact CE2-CG 3.95Å; F880-Q884 HydrophobicContact CZ-CG 3.81Å; F880-Q884 WeakPolarHBondContact O-CB 3.41Å; F880-Q884 VanDerWaalsContact O-CG 3.31Å; F880-Q884 WeakPolarHBondContact O-CG 3.46Å; F880-Q884 PolarHBondContact O-N 2.87Å; F880-W1127 HydrophobicContact CE2-CZ3 4.28Å; F880-W1127 HydrophobicContact CZ-CE3 4.27Å; F880-W1127 AromaticContact CZ-CH2 3.96Å; F880-W1127 HydrophobicContact CZ-CH2 3.96Å; F880-W1127 HydrophobicContact CZ-CZ2 4.39Å; F880-W1127 AromaticContact CZ-CZ3 3.89Å; F880-W1127 HydrophobicContact CZ-CZ3 3.89Å; F880-L1131 HydrophobicContact CD1-CD1 4.26Å; F880-L1131 HydrophobicContact CE1-CD1 3.63Å; F880-L1131 HydrophobicContact CE2-CD1 4.35Å; F880-L1131 HydrophobicContact CZ-CD1 3.69Å
881E89.5Confident88.7Confident132 Ų13261.6 Ų61.662%0.61729%0.288SS*.Hα-helixtrans-62.9-43179.3-69.1-179179.500111.6L877 E878 Q884 H885L877-E881 PolarHBondContact O-N 2.86Å; L877-E881 VanDerWaalsContact O-N 3.15Å; E878-E881 PolarHBondContact O-N 3.41Å; E881-Q884 PolarHBondContact O-N 2.72Å; E881-H885 PolarHBondContact O-N 3.44Å
882S89.9Confident89.4Confident64 Ų6452.9 Ų52.945%0.44825%0.247SC..Hα-helixtrans-60.8-47.6177-179.70000112.4E878 K879 F880 H885 L886E878-S882 PolarHBondContact O-N 2.97Å; E878-S882 VanDerWaalsContact O-N 3.11Å; K879-S882 PolarHBondContact O-N 3.48Å; F880-S882 PolarHBondContact O-N 3.3Å; S882-H885 PolarHBondContact O-N 3.31Å; S882-L886 WeakPolarHBondContact O-CG 3.49Å; S882-L886 PolarHBondContact O-N 2.83Å
883F92.5Very high90.1Very high32 Ų3248.9 Ų48.914%0.1423%0.228CC..Hα-helixtrans-70.1-34.4179.4-69.7-32.8000112.9Y855 L858 K879 F880 H885 L886 A887Y855-F883 HydrophobicContact CD1-CB 4.47Å; Y855-F883 AromaticContact CD1-CD1 3.55Å; Y855-F883 HydrophobicContact CD1-CD1 3.55Å; Y855-F883 HydrophobicContact CD1-CE1 4.09Å; Y855-F883 HydrophobicContact CD1-CG 4.25Å; Y855-F883 AromaticContact CE1-CD1 3.8Å; Y855-F883 HydrophobicContact CE1-CD1 3.8Å; Y855-F883 AromaticContact CE1-CE1 3.93Å; Y855-F883 HydrophobicContact CE1-CE1 3.93Å; L858-F883 HydrophobicContact CB-CD2 3.82Å; L858-F883 HydrophobicContact CB-CE2 4.03Å; L858-F883 HydrophobicContact CB-CG 4.28Å; K879-F883 HydrophobicContact CB-CD2 4.36Å; K879-F883 HydrophobicContact CB-CE2 4.19Å; K879-F883 WeakPolarHBondContact O-CB 3.41Å; K879-F883 VanDerWaalsContact O-CD2 3.32Å; K879-F883 WeakPolarHBondContact O-CD2 3.38Å; K879-F883 WeakPolarHBondContact O-CG 3.41Å; K879-F883 PolarHBondContact O-N 3.05Å; F880-F883 PolarHBondContact O-N 3.4Å; F883-H885 VanDerWaalsContact C-N 3.31Å; F883-H885 PolarHBondContact O-N 3.38Å; F883-L886 HydrophobicContact CD1-CD1 4.23Å; F883-L886 PolarHBondContact O-N 2.75Å; F883-A887 VanDerWaalsContact O-CB 3.27Å; F883-A887 WeakPolarHBondContact O-CB 3.23Å; F883-A887 PolarHBondContact O-N 3.02Å
884Q90.6Very high90.5Very high25 Ų2545.8 Ų45.812%0.11722%0.22CC..Hα-helixtrans-61.3-40.8171.6-78.3-70.4-24.200111.7S859 F880 E881 E888S859-Q884 PolarHBondContact OG-NE2 3.42Å; F880-Q884 HydrophobicContact CD1-CG 4.47Å; F880-Q884 HydrophobicContact CD2-CG 4.34Å; F880-Q884 HydrophobicContact CE1-CG 4.09Å; F880-Q884 HydrophobicContact CE2-CG 3.95Å; F880-Q884 HydrophobicContact CZ-CG 3.81Å; F880-Q884 WeakPolarHBondContact O-CB 3.41Å; F880-Q884 VanDerWaalsContact O-CG 3.31Å; F880-Q884 WeakPolarHBondContact O-CG 3.46Å; F880-Q884 PolarHBondContact O-N 2.87Å; E881-Q884 PolarHBondContact O-N 2.72Å; Q884-E888 PolarHBondContact O-N 3.43Å
885H89.8Confident90.7Very high78 Ų7839.2 Ų39.236%0.36119%0.193SC..Hα-helixtrans-67.2-46.1176.1-17257.2000112E881 S882 F883 A887 E888 L889E881-H885 PolarHBondContact O-N 3.44Å; S882-H885 PolarHBondContact O-N 3.31Å; F883-H885 VanDerWaalsContact C-N 3.31Å; F883-H885 PolarHBondContact O-N 3.38Å; H885-A887 VanDerWaalsContact C-N 3.33Å; H885-A887 PolarHBondContact O-N 2.95Å; H885-E888 PolarHBondContact O-N 2.92Å; H885-L889 WeakPolarHBondContact O-CG 3.26Å; H885-L889 PolarHBondContact O-N 3.08Å; H885-L889 VanDerWaalsContact O-N 3.1Å
886L91.3Very high91Very high26 Ų2634.7 Ų34.714%0.13617%0.172CC..Hα-helixtrans-61.8-40.5176.9-72.6172.2000112.2Y855 S882 F883 E888 L889 Y890 L928Y855-L886 HydrophobicContact CD1-CB 4.18Å; Y855-L886 HydrophobicContact CD1-CD1 4.3Å; Y855-L886 HydrophobicContact CD2-CB 4.25Å; Y855-L886 HydrophobicContact CE1-CB 4.44Å; Y855-L886 HydrophobicContact CE1-CD1 3.9Å; Y855-L886 HydrophobicContact CG-CB 4.08Å; S882-L886 WeakPolarHBondContact O-CG 3.49Å; S882-L886 PolarHBondContact O-N 2.83Å; F883-L886 HydrophobicContact CD1-CD1 4.23Å; F883-L886 PolarHBondContact O-N 2.75Å; L886-E888 PolarHBondContact O-N 3.3Å; L886-L889 PolarHBondContact O-N 3.41Å; L886-Y890 HydrophobicContact CB-CD2 4.47Å; L886-Y890 HydrophobicContact CD2-CE2 4.32Å; L886-Y890 VanDerWaalsContact O-CD2 3.23Å; L886-Y890 WeakPolarHBondContact O-CD2 3.38Å; L886-Y890 PolarHBondContact O-N 3.31Å; L886-L928 HydrophobicContact CD2-CD1 3.97Å; L886-L928 HydrophobicContact CD2-CD2 3.64Å; L886-L928 HydrophobicContact CD2-CG 4.46Å
887A92.4Very high91.1Very high0 Ų035.1 Ų35.10%017%0.174CC..Hα-helixtrans-54.2-43.9175.500000111.5G852 W856 F883 H885 Y891 Y1172G852-A887 WeakPolarHBondContact CA-O 3.33Å; G852-A887 VanDerWaalsContact O-CB 3.23Å; G852-A887 WeakPolarHBondContact O-CB 3.45Å; W856-A887 HydrophobicContact CB-CB 4.06Å; F883-A887 VanDerWaalsContact O-CB 3.27Å; F883-A887 WeakPolarHBondContact O-CB 3.23Å; F883-A887 PolarHBondContact O-N 3.02Å; H885-A887 VanDerWaalsContact C-N 3.33Å; H885-A887 PolarHBondContact O-N 2.95Å; A887-Y891 VanDerWaalsContact O-CB 3.27Å; A887-Y891 WeakPolarHBondContact O-CB 3.49Å; A887-Y891 PolarHBondContact O-N 3.27Å; A887-Y1172 WeakPolarHBondContact CB-OH 3.37Å
888E90.8Very high91.2Very high36 Ų3637.5 Ų37.517%0.16818%0.18CC..Hα-helixtrans-70.2-41.6-179.3-174.6158-133.600112.3Q884 H885 L886 Y891 V892 F918 Y1028 K1153 Y1172Q884-E888 PolarHBondContact O-N 3.43Å; H885-E888 PolarHBondContact O-N 2.92Å; L886-E888 PolarHBondContact O-N 3.3Å; E888-Y891 PolarHBondContact O-N 2.84Å; E888-V892 VanDerWaalsContact O-CG2 3.29Å; E888-V892 WeakPolarHBondContact O-CG2 3.27Å; E888-V892 PolarHBondContact O-N 3.36Å; E888-F918 HydrophobicContact CG-CE1 3.92Å; E888-F918 HydrophobicContact CG-CZ 3.78Å; E888-Y1028 HydrophobicContact CG-CE1 4.49Å; E888-K1153 IonicContact OE1-NZ 2.78Å; E888-K1153 PolarHBondContact OE1-NZ 3.45Å; E888-K1153 IonicContact OE2-NZ 3.05Å; E888-K1153 PolarHBondContact OE2-NZ 3.16Å; E888-Y1172 WeakPolarHBondContact CA-OH 3.4Å; E888-Y1172 PolarHBondContact N-OH 2.86Å; E888-Y1172 VanDerWaalsContact N-OH 3.09Å
889L91.9Very high91.3Very high3 Ų333 Ų332%0.01616%0.158CC..Hα-helixtrans-65.8-43179.1-63.3178.5000112.4H885 L886 V892 Y893 F918 L919 N922 L928 I931H885-L889 WeakPolarHBondContact O-CG 3.26Å; H885-L889 PolarHBondContact O-N 3.08Å; H885-L889 VanDerWaalsContact O-N 3.1Å; L886-L889 PolarHBondContact O-N 3.41Å; L889-V892 PolarHBondContact O-N 2.89Å; L889-Y893 WeakPolarHBondContact O-CB 3.43Å; L889-Y893 PolarHBondContact O-N 3.49Å; L889-F918 HydrophobicContact CD2-CE1 4.1Å; L889-L919 HydrophobicContact CB-CD1 4.32Å; L889-L919 HydrophobicContact CD2-CD1 3.89Å; L889-N922 HydrophobicContact CD2-CB 3.72Å; L889-L928 HydrophobicContact CB-CD1 4.29Å; L889-L928 HydrophobicContact CD1-CD1 3.36Å; L889-L928 HydrophobicContact CG-CD1 4.47Å; L889-I931 HydrophobicContact CB-CD1 4.3Å
890Y93.6Very high91.2Very high2 Ų230.2 Ų30.21%0.00815%0.148CC..Hα-helixtrans-70.1-36.4177.3-77.1-66.7000112.5V843 F848 A851 Y855 L886 Y893 S894 P929 I931V843-Y890 HydrophobicContact CG1-CE1 4.19Å; V843-Y890 HydrophobicContact CG2-CD1 4.43Å; V843-Y890 HydrophobicContact CG2-CE1 3.81Å; V843-Y890 HydrophobicContact CG2-CE2 4.35Å; F848-Y890 AromaticContact CD1-CD1 3.69Å; F848-Y890 HydrophobicContact CD1-CD1 3.69Å; F848-Y890 HydrophobicContact CD1-CE1 4.04Å; F848-Y890 HydrophobicContact CE1-CD1 4.39Å; F848-Y890 HydrophobicContact CE1-CE1 4.31Å; A851-Y890 HydrophobicContact CB-CD1 4.48Å; A851-Y890 HydrophobicContact CB-CG 4.27Å; Y855-Y890 AromaticContact CD2-CD2 3.61Å; Y855-Y890 HydrophobicContact CD2-CD2 3.61Å; Y855-Y890 AromaticContact CD2-CE2 3.88Å; Y855-Y890 HydrophobicContact CD2-CE2 3.88Å; Y855-Y890 AromaticContact CE2-CD2 3.54Å; Y855-Y890 HydrophobicContact CE2-CD2 3.54Å; Y855-Y890 AromaticContact CE2-CE2 3.29Å; Y855-Y890 HydrophobicContact CE2-CE2 3.29Å; L886-Y890 HydrophobicContact CB-CD2 4.47Å; L886-Y890 HydrophobicContact CD2-CE2 4.32Å; L886-Y890 VanDerWaalsContact O-CD2 3.23Å; L886-Y890 WeakPolarHBondContact O-CD2 3.38Å; L886-Y890 PolarHBondContact O-N 3.31Å; Y890-Y893 PolarHBondContact O-N 3.24Å; Y890-S894 PolarHBondContact O-N 3.4Å; Y890-P929 WeakPolarHBondContact CE1-O 3.25Å; Y890-P929 PolarHBondContact OH-O 3.27Å; Y890-I931 HydrophobicContact CD1-CD1 4.04Å; Y890-I931 HydrophobicContact CD1-CG1 4.05Å; Y890-I931 HydrophobicContact CE1-CD1 4.06Å; Y890-I931 HydrophobicContact CE1-CG1 3.83Å
891Y92.6Very high91Very high26 Ų2634.6 Ų34.610%0.10217%0.172CC..Hα-helixtrans-59.2-48.7173177.4-98.8000111.2A887 E888 Y893 S894 A1025 Y1028 Y1172A887-Y891 VanDerWaalsContact O-CB 3.27Å; A887-Y891 WeakPolarHBondContact O-CB 3.49Å; A887-Y891 PolarHBondContact O-N 3.27Å; E888-Y891 PolarHBondContact O-N 2.84Å; Y891-Y893 PolarHBondContact O-N 3.03Å; Y891-S894 WeakPolarHBondContact O-CB 3.01Å; Y891-S894 PolarHBondContact O-N 2.9Å; Y891-S894 PolarHBondContact O-OG 3.36Å; Y891-A1025 WeakPolarHBondContact CE1-O 3.38Å; Y891-A1025 PolarHBondContact OH-O 3.39Å; Y891-Y1028 HydrophobicContact CD1-CE2 4.29Å; Y891-Y1028 HydrophobicContact CE1-CE2 4.11Å; Y891-Y1172 AromaticContact CD1-CD2 3.91Å; Y891-Y1172 HydrophobicContact CD1-CD2 3.91Å; Y891-Y1172 HydrophobicContact CD1-CE2 4.12Å; Y891-Y1172 HydrophobicContact CD2-CD2 4.02Å; Y891-Y1172 HydrophobicContact CE1-CD2 4.21Å; Y891-Y1172 HydrophobicContact CE2-CD2 4.31Å; Y891-Y1172 AromaticContact CG-CD2 3.81Å; Y891-Y1172 HydrophobicContact CG-CD2 3.81Å; Y891-Y1172 AromaticContact CG-CE2 3.98Å; Y891-Y1172 HydrophobicContact CG-CE2 3.98Å
892V92.4Very high90.7Very high0 Ų032.6 Ų32.60%016%0.163CC..Hα-helixtrans-60.4-47.9176.7169.20000111.7E888 L889 S894 S895 I896 L915 F918 L919 Y1028E888-V892 VanDerWaalsContact O-CG2 3.29Å; E888-V892 WeakPolarHBondContact O-CG2 3.27Å; E888-V892 PolarHBondContact O-N 3.36Å; L889-V892 PolarHBondContact O-N 2.89Å; V892-S894 PolarHBondContact O-N 3.04Å; V892-S895 PolarHBondContact O-N 3.4Å; V892-I896 HydrophobicContact CG1-CD1 4.15Å; V892-L915 HydrophobicContact CB-CD2 4.19Å; V892-L915 HydrophobicContact CG1-CB 4.06Å; V892-L915 HydrophobicContact CG1-CD2 3.79Å; V892-L915 WeakPolarHBondContact CG1-O 3.17Å; V892-L915 HydrophobicContact CG2-CD2 3.95Å; V892-F918 HydrophobicContact CB-CD1 4.43Å; V892-F918 HydrophobicContact CG1-CD1 4.24Å; V892-F918 HydrophobicContact CG2-CD1 3.75Å; V892-F918 HydrophobicContact CG2-CE1 3.91Å; V892-L919 HydrophobicContact CG1-CB 3.97Å; V892-Y1028 HydrophobicContact CG2-CD1 4.07Å; V892-Y1028 HydrophobicContact CG2-CD2 4.43Å; V892-Y1028 HydrophobicContact CG2-CE1 3.34Å; V892-Y1028 HydrophobicContact CG2-CE2 3.74Å; V892-Y1028 WeakPolarHBondContact CG2-OH 3.07Å
893Y93.4Very high89.8Confident3 Ų335.2 Ų35.21%0.01218%0.178CC..Hα-helixtrans-64.5-29.9-177.3-175-109.2000112.7F848 L889 Y890 Y891 S895 I896 Q897 L919 G930 I931 S932F848-Y893 HydrophobicContact CB-CD1 4.47Å; F848-Y893 HydrophobicContact CD1-CD1 4.1Å; F848-Y893 HydrophobicContact CD1-CE1 4.49Å; F848-Y893 AromaticContact CD2-CD1 3.72Å; F848-Y893 HydrophobicContact CD2-CD1 3.72Å; F848-Y893 AromaticContact CD2-CE1 3.77Å; F848-Y893 HydrophobicContact CD2-CE1 3.77Å; F848-Y893 HydrophobicContact CE1-CD1 4.25Å; F848-Y893 HydrophobicContact CE1-CE1 4.23Å; F848-Y893 AromaticContact CE2-CD1 3.9Å; F848-Y893 HydrophobicContact CE2-CD1 3.9Å; F848-Y893 AromaticContact CE2-CE1 3.48Å; F848-Y893 HydrophobicContact CE2-CE1 3.48Å; F848-Y893 VanDerWaalsContact CE2-CE1 3.48Å; F848-Y893 AromaticContact CG-CD1 3.82Å; F848-Y893 HydrophobicContact CG-CD1 3.82Å; F848-Y893 HydrophobicContact CG-CE1 4.27Å; F848-Y893 HydrophobicContact CZ-CD1 4.16Å; F848-Y893 AromaticContact CZ-CE1 3.72Å; F848-Y893 HydrophobicContact CZ-CE1 3.72Å; L889-Y893 WeakPolarHBondContact O-CB 3.43Å; L889-Y893 PolarHBondContact O-N 3.49Å; Y890-Y893 PolarHBondContact O-N 3.24Å; Y891-Y893 PolarHBondContact O-N 3.03Å; Y893-S895 VanDerWaalsContact C-N 3.26Å; Y893-S895 PolarHBondContact O-N 3.18Å; Y893-I896 HydrophobicContact CD2-CB 4.41Å; Y893-I896 PolarHBondContact O-N 2.85Å; Y893-I896 VanDerWaalsContact O-N 3.12Å; Y893-Q897 HydrophobicContact CE1-CB 4.13Å; Y893-Q897 WeakPolarHBondContact O-CB 3.25Å; Y893-Q897 PolarHBondContact O-N 3.35Å; Y893-Q897 PolarHBondContact OH-OE1 3.15Å; Y893-L919 HydrophobicContact CD2-CD2 3.67Å; Y893-L919 HydrophobicContact CG-CD2 4.34Å; Y893-G930 WeakPolarHBondContact CE1-O 3.28Å; Y893-I931 HydrophobicContact CD1-CB 4.37Å; Y893-I931 HydrophobicContact CD1-CG1 3.93Å; Y893-I931 HydrophobicContact CD1-CG2 4.49Å; Y893-I931 HydrophobicContact CD2-CB 4.42Å; Y893-I931 HydrophobicContact CD2-CG2 3.69Å; Y893-I931 HydrophobicContact CE2-CG2 3.97Å; Y893-I931 HydrophobicContact CG-CB 4.3Å; Y893-I931 HydrophobicContact CG-CD1 4.5Å; Y893-I931 HydrophobicContact CG-CG1 3.96Å; Y893-I931 HydrophobicContact CG-CG2 3.97Å; Y893-S932 WeakPolarHBondContact OH-CB 3.38Å; Y893-S932 PolarHBondContact OH-N 2.95Å
894S92.6Very high89.1Confident21 Ų2141.9 Ų41.915%0.14721%0.208CC..Hα-helixtrans-56.9-38.6177.178.20000113.1Y890 Y891 V892 R898Y890-S894 PolarHBondContact O-N 3.4Å; Y891-S894 WeakPolarHBondContact O-CB 3.01Å; Y891-S894 PolarHBondContact O-N 2.9Å; Y891-S894 PolarHBondContact O-OG 3.36Å; V892-S894 PolarHBondContact O-N 3.04Å; S894-R898 WeakPolarHBondContact O-CB 3.44Å; S894-R898 PolarHBondContact O-N 3.3Å; S894-R898 VanDerWaalsContact O-N 3.12Å
895S91.2Very high88.4Confident16 Ų1643 Ų4311%0.11222%0.218CC..Hα-helixtrans-72.2-35.8178.6-63.90000111.9V892 Y893 Y899V892-S895 PolarHBondContact O-N 3.4Å; Y893-S895 VanDerWaalsContact C-N 3.26Å; Y893-S895 PolarHBondContact O-N 3.18Å; S895-Y899 WeakPolarHBondContact O-CB 3.47Å; S895-Y899 PolarHBondContact O-N 3.19Å; S895-Y899 VanDerWaalsContact O-N 3.08Å
896I92.2Very high87.8Confident0 Ų043.4 Ų43.40%023%0.23CC..Hα-helixtrans-70.4-44.3177.5-61.6172.3000110.7V892 Y893 R898 Y899 T900 L915 C916 L919 T936 A939V892-I896 HydrophobicContact CG1-CD1 4.15Å; Y893-I896 HydrophobicContact CD2-CB 4.41Å; Y893-I896 PolarHBondContact O-N 2.85Å; Y893-I896 VanDerWaalsContact O-N 3.12Å; I896-R898 VanDerWaalsContact C-N 3.34Å; I896-R898 PolarHBondContact O-N 2.8Å; I896-Y899 WeakPolarHBondContact O-CB 3.33Å; I896-Y899 PolarHBondContact O-N 2.75Å; I896-T900 PolarHBondContact O-N 3.5Å; I896-T900 PolarHBondContact O-OG1 2.78Å; I896-L915 HydrophobicContact CD1-CB 4.36Å; I896-L915 HydrophobicContact CG1-CB 4.33Å; I896-C916 HydrophobicContact CD1-CB 4.41Å; I896-L919 HydrophobicContact CD1-CB 4.4Å; I896-L919 HydrophobicContact CD1-CD2 3.75Å; I896-T936 HydrophobicContact CD1-CG2 4.22Å; I896-A939 HydrophobicContact CG2-CB 4.14Å
897Q90.9Very high87.4Confident25 Ų2544.9 Ų44.912%0.11724%0.236CC..Hα-helixtrans-60.3-45.1176.8-178.364.630.300111F848 Y893 Y899 T900 D901 N935F848-Q897 HydrophobicContact CD2-CB 4.24Å; F848-Q897 HydrophobicContact CD2-CG 4.17Å; F848-Q897 HydrophobicContact CE2-CB 4.44Å; F848-Q897 HydrophobicContact CE2-CG 4.03Å; Y893-Q897 HydrophobicContact CE1-CB 4.13Å; Y893-Q897 WeakPolarHBondContact O-CB 3.25Å; Y893-Q897 PolarHBondContact O-N 3.35Å; Y893-Q897 PolarHBondContact OH-OE1 3.15Å; Q897-Y899 VanDerWaalsContact C-N 3.33Å; Q897-Y899 PolarHBondContact O-N 3.21Å; Q897-T900 PolarHBondContact O-N 3.07Å; Q897-T900 VanDerWaalsContact O-N 3.14Å; Q897-T900 PolarHBondContact O-OG1 3.04Å; Q897-D901 PolarHBondContact NE2-OD1 2.76Å; Q897-D901 PolarHBondContact NE2-OD2 3.08Å; Q897-D901 PolarHBondContact O-N 2.83Å; Q897-N935 PolarHBondContact OE1-ND2 3.34Å
898R90Very high87.1Confident91 Ų9150.6 Ų50.634%0.34326%0.264SS..Hα-helixtrans-61.1-41.8176.5-169.6169.466.1118.2-2112.1S894 I896 T900 D901 E902 S906 H907S894-R898 WeakPolarHBondContact O-CB 3.44Å; S894-R898 PolarHBondContact O-N 3.3Å; S894-R898 VanDerWaalsContact O-N 3.12Å; I896-R898 VanDerWaalsContact C-N 3.34Å; I896-R898 PolarHBondContact O-N 2.8Å; R898-T900 VanDerWaalsContact C-N 3.29Å; R898-T900 PolarHBondContact O-N 3.36Å; R898-D901 PolarHBondContact O-N 2.59Å; R898-E902 VanDerWaalsContact CG-CD 3.4Å; R898-E902 HydrophobicContact CG-CG 4.12Å; R898-E902 WeakPolarHBondContact CG-OE1 3.3Å; R898-E902 WeakPolarHBondContact CG-OE2 3.41Å; R898-E902 WeakPolarHBondContact O-CB 3.37Å; R898-E902 PolarHBondContact O-N 2.72Å; R898-S906 PolarHBondContact NH1-OG 3.11Å; R898-S906 PolarHBondContact NH2-OG 3.27Å; R898-H907 PolarHBondContact NH2-CD2 3.44Å; R898-H907 VanDerWaalsContact NH2-CD2 3.3Å; R898-H907 PolarHBondContact NH2-NE2 3.4Å
899Y90.8Very high87Confident18 Ų1850.9 Ų50.97%0.07127%0.269CS..Hα-helixtrans-60.3-35.6174.5171-84.9000113.1S895 I896 Q897 I912 A939 K942 E943S895-Y899 WeakPolarHBondContact O-CB 3.47Å; S895-Y899 PolarHBondContact O-N 3.19Å; S895-Y899 VanDerWaalsContact O-N 3.08Å; I896-Y899 WeakPolarHBondContact O-CB 3.33Å; I896-Y899 PolarHBondContact O-N 2.75Å; Q897-Y899 VanDerWaalsContact C-N 3.33Å; Q897-Y899 PolarHBondContact O-N 3.21Å; Y899-I912 HydrophobicContact CD1-CG2 4.41Å; Y899-I912 HydrophobicContact CD2-CD1 4.38Å; Y899-I912 HydrophobicContact CD2-CG1 4.01Å; Y899-I912 HydrophobicContact CD2-CG2 4.16Å; Y899-I912 HydrophobicContact CE2-CG2 4.5Å; Y899-I912 HydrophobicContact CG-CD1 4.48Å; Y899-I912 HydrophobicContact CG-CG1 4.49Å; Y899-I912 HydrophobicContact CG-CG2 4.14Å; Y899-A939 HydrophobicContact CD1-CB 3.77Å; Y899-A939 HydrophobicContact CE1-CB 3.88Å; Y899-K942 WeakPolarHBondContact OH-CD 3.49Å; Y899-K942 VanDerWaalsContact OH-CE 3.22Å; Y899-K942 WeakPolarHBondContact OH-CE 3.49Å; Y899-K942 PolarHBondContact OH-NZ 3.34Å; Y899-E943 HydrophobicContact CE2-CG 4.47Å; Y899-E943 WeakPolarHBondContact CE2-OE1 3.19Å; Y899-E943 PolarHBondContact OH-OE1 3.3Å
900T87.4Confident86.8Confident24 Ų2454.4 Ų54.415%0.14729%0.285CS..Hα-helixtrans-80.3-30179.6520000113.7I896 Q897 R898 N935 F938 A939I896-T900 PolarHBondContact O-N 3.5Å; I896-T900 PolarHBondContact O-OG1 2.78Å; Q897-T900 PolarHBondContact O-N 3.07Å; Q897-T900 VanDerWaalsContact O-N 3.14Å; Q897-T900 PolarHBondContact O-OG1 3.04Å; R898-T900 VanDerWaalsContact C-N 3.29Å; R898-T900 PolarHBondContact O-N 3.36Å; T900-N935 HydrophobicContact CG2-CB 3.97Å; T900-F938 HydrophobicContact CG2-CD1 4.29Å; T900-A939 HydrophobicContact CG2-CB 4.46Å
901D85Confident86.6Confident104 Ų10455.2 Ų55.256%0.55629%0.291SS*.Hα-helixtrans-87.1-33.5-177.3-66.4-11.9000112.5Q897 R898Q897-D901 PolarHBondContact NE2-OD1 2.76Å; Q897-D901 PolarHBondContact NE2-OD2 3.08Å; Q897-D901 PolarHBondContact O-N 2.83Å; R898-D901 PolarHBondContact O-N 2.59Å
902E83.6Confident86.6Confident91 Ų9154 Ų5443%0.42529%0.286SS..SBendtrans-93.4139.4-178.3-64179.6175.800111.9R898 F904R898-E902 VanDerWaalsContact CG-CD 3.4Å; R898-E902 HydrophobicContact CG-CG 4.12Å; R898-E902 WeakPolarHBondContact CG-OE1 3.3Å; R898-E902 WeakPolarHBondContact CG-OE2 3.41Å; R898-E902 WeakPolarHBondContact O-CB 3.37Å; R898-E902 PolarHBondContact O-N 2.72Å; E902-F904 PolarHBondContact O-N 3.07Å
903P70.9Confident86.6Confident118 Ų11854.1 Ų54.177%0.76629%0.286SS*.SBendtrans-69.1-17.6179.426.7-33.4000113.6
904F77.3Confident86.4Confident173 Ų17354.6 Ų54.676%0.75929%0.29SS*.SBendtrans-133.7131.8-179.8-55.1-73.7000109.9E902E902-F904 PolarHBondContact O-N 3.07Å
905S76.9Confident86.4Confident47 Ų4753.8 Ų53.833%0.32928%0.284SS..  trans-95.4138.1176.5175.30000110.7H907S905-H907 VanDerWaalsContact C-N 3.3Å; S905-H907 PolarHBondContact OG-N 3.28Å; S905-H907 PolarHBondContact OG-O 3.26Å
906S76.6Confident86.5Confident88 Ų8853 Ų5362%0.61528%0.279SS*.SBendtrans-80.4-13.2168.271.50000113R898R898-S906 PolarHBondContact NH1-OG 3.11Å; R898-S906 PolarHBondContact NH2-OG 3.27Å
907H83.3Confident86.4Confident56 Ų5653.2 Ų53.226%0.25928%0.279SS..SBendtrans-89.4145.9178.6-65.1-73.4000111.4R898 S905 I912R898-H907 PolarHBondContact NH2-CD2 3.44Å; R898-H907 VanDerWaalsContact NH2-CD2 3.3Å; R898-H907 PolarHBondContact NH2-NE2 3.4Å; S905-H907 VanDerWaalsContact C-N 3.3Å; S905-H907 PolarHBondContact OG-N 3.28Å; S905-H907 PolarHBondContact OG-O 3.26Å; H907-I912 HydrophobicContact CB-CD1 3.75Å; H907-I912 HydrophobicContact CB-CG1 3.83Å
908M86.6Confident86.4Confident121 Ų12152.5 Ų52.560%0.59628%0.276SS*.  trans-62.8145.6170.6-64.6-63.3-74.900110.5E910 T911 I912M908-E910 PolarHBondContact O-N 3.39Å; M908-T911 WeakPolarHBondContact O-CB 3.46Å; M908-T911 PolarHBondContact O-N 2.98Å; M908-T911 VanDerWaalsContact O-N 3.1Å; M908-I912 PolarHBondContact O-N 2.91Å
909P87.7Confident86.4Confident41 Ų4148.1 Ų48.127%0.26626%0.259SS..Hα-helixtrans-47.6-42.3176.4-33.540000114.4T911 I912 F913 E943 L947P909-T911 PolarHBondContact O-N 2.94Å; P909-I912 PolarHBondContact O-N 2.94Å; P909-F913 WeakPolarHBondContact O-CB 3.28Å; P909-F913 PolarHBondContact O-N 3.33Å; P909-E943 WeakPolarHBondContact CA-OE2 3.35Å; P909-E943 VanDerWaalsContact CB-OE2 3.24Å; P909-E943 WeakPolarHBondContact CB-OE2 3.48Å; P909-L947 HydrophobicContact CB-CD1 4.43Å; P909-L947 HydrophobicContact CB-CD2 4.01Å; P909-L947 HydrophobicContact CB-CG 4.29Å
910E88.6Confident86.3Confident78 Ų7848.6 Ų48.636%0.36426%0.263SS..Hα-helixtrans-63.4-40.5-178.9-60.678.2-171.900111.3M908 F913 S914 L947M908-E910 PolarHBondContact O-N 3.39Å; E910-F913 WeakPolarHBondContact O-CB 3.4Å; E910-F913 PolarHBondContact O-N 3.47Å; E910-S914 WeakPolarHBondContact O-CB 3.44Å; E910-S914 PolarHBondContact O-N 3.12Å; E910-S914 PolarHBondContact O-OG 3.23Å; E910-L947 HydrophobicContact CG-CD2 4.05Å
911T89.7Confident86.4Confident19 Ų1948 Ų4812%0.11726%0.259CS..Hα-helixtrans-64.7-47.6177.1-52.70000111.6M908 P909 F913 S914 L915M908-T911 WeakPolarHBondContact O-CB 3.46Å; M908-T911 PolarHBondContact O-N 2.98Å; M908-T911 VanDerWaalsContact O-N 3.1Å; P909-T911 PolarHBondContact O-N 2.94Å; T911-F913 VanDerWaalsContact C-N 3.29Å; T911-F913 PolarHBondContact O-N 3.41Å; T911-S914 PolarHBondContact O-N 2.87Å; T911-L915 HydrophobicContact CG2-CD1 3.91Å; T911-L915 HydrophobicContact CG2-CG 4.42Å; T911-L915 WeakPolarHBondContact O-CB 3.46Å; T911-L915 WeakPolarHBondContact O-CD1 3.49Å; T911-L915 WeakPolarHBondContact O-CG 3.33Å; T911-L915 PolarHBondContact O-N 2.85Å
912I92.3Very high86.4Confident0 Ų045 Ų450%024%0.243CC..Hα-helixtrans-63.7-39178-63-61.6000110.7Y899 H907 M908 P909 L915 C916 A939 E943Y899-I912 HydrophobicContact CD1-CG2 4.41Å; Y899-I912 HydrophobicContact CD2-CD1 4.38Å; Y899-I912 HydrophobicContact CD2-CG1 4.01Å; Y899-I912 HydrophobicContact CD2-CG2 4.16Å; Y899-I912 HydrophobicContact CE2-CG2 4.5Å; Y899-I912 HydrophobicContact CG-CD1 4.48Å; Y899-I912 HydrophobicContact CG-CG1 4.49Å; Y899-I912 HydrophobicContact CG-CG2 4.14Å; H907-I912 HydrophobicContact CB-CD1 3.75Å; H907-I912 HydrophobicContact CB-CG1 3.83Å; M908-I912 PolarHBondContact O-N 2.91Å; P909-I912 PolarHBondContact O-N 2.94Å; I912-L915 HydrophobicContact CD1-CD1 4.21Å; I912-C916 WeakPolarHBondContact O-CB 3.22Å; I912-C916 PolarHBondContact O-N 2.94Å; I912-C916 PolarHBondContact O-SG 2.78Å; I912-A939 HydrophobicContact CG2-CB 4.37Å; I912-E943 HydrophobicContact CB-CG 4.24Å; I912-E943 HydrophobicContact CG2-CG 3.92Å
913F91.3Very high86.3Confident3 Ų341 Ų411%0.01322%0.224CC..Hα-helixtrans-59.2-50.1174.5175.4-100.4000112P909 E910 T911 C916 R917 L940 E943 S944 L947 A949 L952 F991 L1006P909-F913 WeakPolarHBondContact O-CB 3.28Å; P909-F913 PolarHBondContact O-N 3.33Å; E910-F913 WeakPolarHBondContact O-CB 3.4Å; E910-F913 PolarHBondContact O-N 3.47Å; T911-F913 VanDerWaalsContact C-N 3.29Å; T911-F913 PolarHBondContact O-N 3.41Å; F913-C916 PolarHBondContact O-N 3.36Å; F913-R917 VanDerWaalsContact O-CG 3.25Å; F913-R917 WeakPolarHBondContact O-CG 3.46Å; F913-R917 PolarHBondContact O-N 3.02Å; F913-R917 VanDerWaalsContact O-N 3.13Å; F913-L940 HydrophobicContact CD2-CD1 3.71Å; F913-L940 HydrophobicContact CE2-CD1 3.95Å; F913-E943 HydrophobicContact CB-CB 4.37Å; F913-S944 WeakPolarHBondContact CE2-OG 3.36Å; F913-L947 HydrophobicContact CB-CD1 3.65Å; F913-L947 HydrophobicContact CD1-CD1 4.29Å; F913-L947 HydrophobicContact CD2-CD1 4.09Å; F913-L947 HydrophobicContact CG-CD1 3.79Å; F913-A949 HydrophobicContact CE2-CB 4.23Å; F913-A949 HydrophobicContact CZ-CB 4.33Å; F913-L952 HydrophobicContact CE2-CD2 3.77Å; F913-L952 HydrophobicContact CZ-CD2 3.99Å; F913-F991 HydrophobicContact CE1-CD1 4.15Å; F913-F991 HydrophobicContact CZ-CD1 4.47Å; F913-L1006 HydrophobicContact CZ-CD1 4.48Å
914S90.6Very high85.9Confident12 Ų1238.9 Ų38.98%0.08421%0.209CC..Hα-helixtrans-63.7-42.6178.5-690000113E910 T911 C916 R917 F918 S1027E910-S914 WeakPolarHBondContact O-CB 3.44Å; E910-S914 PolarHBondContact O-N 3.12Å; E910-S914 PolarHBondContact O-OG 3.23Å; T911-S914 PolarHBondContact O-N 2.87Å; S914-C916 PolarHBondContact O-N 3.4Å; S914-R917 PolarHBondContact O-N 2.89Å; S914-F918 PolarHBondContact O-N 2.64Å; S914-S1027 VanDerWaalsContact CB-O 3.32Å; S914-S1027 WeakPolarHBondContact CB-O 3.25Å
915L92.2Very high85.1Confident4 Ų439.5 Ų39.52%0.02121%0.212CC..Hα-helixtrans-58-47.7174.5-73.8166.6000112.1V892 I896 T911 I912 R917 F918 L919 Y1028V892-L915 HydrophobicContact CB-CD2 4.19Å; V892-L915 HydrophobicContact CG1-CB 4.06Å; V892-L915 HydrophobicContact CG1-CD2 3.79Å; V892-L915 WeakPolarHBondContact CG1-O 3.17Å; V892-L915 HydrophobicContact CG2-CD2 3.95Å; I896-L915 HydrophobicContact CD1-CB 4.36Å; I896-L915 HydrophobicContact CG1-CB 4.33Å; T911-L915 HydrophobicContact CG2-CD1 3.91Å; T911-L915 HydrophobicContact CG2-CG 4.42Å; T911-L915 WeakPolarHBondContact O-CB 3.46Å; T911-L915 WeakPolarHBondContact O-CD1 3.49Å; T911-L915 WeakPolarHBondContact O-CG 3.33Å; T911-L915 PolarHBondContact O-N 2.85Å; I912-L915 HydrophobicContact CD1-CD1 4.21Å; L915-R917 VanDerWaalsContact C-N 3.31Å; L915-R917 PolarHBondContact O-N 3.06Å; L915-F918 PolarHBondContact O-N 3.03Å; L915-L919 WeakPolarHBondContact O-CB 3.49Å; L915-L919 PolarHBondContact O-N 3.25Å; L915-Y1028 HydrophobicContact CD2-CD1 4.41Å; L915-Y1028 HydrophobicContact CD2-CD2 3.2Å; L915-Y1028 HydrophobicContact CD2-CE2 3.63Å; L915-Y1028 HydrophobicContact CD2-CG 3.64Å; L915-Y1028 HydrophobicContact CG-CD2 4.22Å; L915-Y1028 HydrophobicContact CG-CG 4.44Å
916C92.3Very high84.4Confident0 Ų043 Ų430%023%0.227CC..Hα-helixtrans-62.5-39.8179.3-68.50000111.9I896 I912 F913 S914 L919 L920 T936 L940I896-C916 HydrophobicContact CD1-CB 4.41Å; I912-C916 WeakPolarHBondContact O-CB 3.22Å; I912-C916 PolarHBondContact O-N 2.94Å; I912-C916 PolarHBondContact O-SG 2.78Å; F913-C916 PolarHBondContact O-N 3.36Å; S914-C916 PolarHBondContact O-N 3.4Å; C916-L919 PolarHBondContact O-N 3.46Å; C916-L920 WeakPolarHBondContact O-CB 3.17Å; C916-L920 WeakPolarHBondContact O-CG 3.3Å; C916-L920 PolarHBondContact O-N 3.47Å; C916-T936 HydrophobicContact CB-CG2 4.23Å; C916-L940 HydrophobicContact CB-CB 3.88Å; C916-L940 HydrophobicContact CB-CD1 4.03Å; C916-L940 HydrophobicContact CB-CG 4.44Å
917R90.3Very high83.9Confident5 Ų544.1 Ų44.12%0.01923%0.23CC..Hα-helixtrans-66.8-47178.5-69.8169.662.1-154.9-6.5111.8F913 S914 L915 L919 L920 N921 L940 M995 L1006 L1007F913-R917 VanDerWaalsContact O-CG 3.25Å; F913-R917 WeakPolarHBondContact O-CG 3.46Å; F913-R917 PolarHBondContact O-N 3.02Å; F913-R917 VanDerWaalsContact O-N 3.13Å; S914-R917 PolarHBondContact O-N 2.89Å; L915-R917 VanDerWaalsContact C-N 3.31Å; L915-R917 PolarHBondContact O-N 3.06Å; R917-L919 VanDerWaalsContact C-N 3.29Å; R917-L919 PolarHBondContact O-N 3.46Å; R917-L920 PolarHBondContact O-N 3.33Å; R917-N921 WeakPolarHBondContact O-CB 3.28Å; R917-N921 PolarHBondContact O-N 3.35Å; R917-N921 PolarHBondContact O-ND2 3.23Å; R917-L940 HydrophobicContact CG-CD1 3.89Å; R917-M995 VanDerWaalsContact CZ-CE 3.46Å; R917-M995 PolarHBondContact NH2-SD 3.4Å; R917-L1006 PolarHBondContact NE-O 2.87Å; R917-L1006 VanDerWaalsContact NH2-CA 3.33Å; R917-L1006 PolarHBondContact NH2-O 2.81Å; R917-L1007 HydrophobicContact CB-CD2 4.38Å; R917-L1007 HydrophobicContact CG-CD2 4.27Å
918F90.5Very high83.9Confident9 Ų943 Ų434%0.03923%0.226CC..Hα-helixtrans-55.2-47.9174.6174.2-93.3000111E888 L889 V892 S914 L915 N921 N922 Y1023 Y1028E888-F918 HydrophobicContact CG-CE1 3.92Å; E888-F918 HydrophobicContact CG-CZ 3.78Å; L889-F918 HydrophobicContact CD2-CE1 4.1Å; V892-F918 HydrophobicContact CB-CD1 4.43Å; V892-F918 HydrophobicContact CG1-CD1 4.24Å; V892-F918 HydrophobicContact CG2-CD1 3.75Å; V892-F918 HydrophobicContact CG2-CE1 3.91Å; S914-F918 PolarHBondContact O-N 2.64Å; L915-F918 PolarHBondContact O-N 3.03Å; F918-N921 PolarHBondContact O-N 2.98Å; F918-N922 WeakPolarHBondContact CE2-ND2 3.45Å; F918-N922 WeakPolarHBondContact CZ-ND2 3.42Å; F918-N922 PolarHBondContact O-N 2.84Å; F918-N922 PolarHBondContact O-ND2 3.24Å; F918-Y1023 AromaticContact CD2-CD2 3.67Å; F918-Y1023 HydrophobicContact CD2-CD2 3.67Å; F918-Y1023 HydrophobicContact CD2-CE1 4.3Å; F918-Y1023 AromaticContact CD2-CE2 3.42Å; F918-Y1023 HydrophobicContact CD2-CE2 3.42Å; F918-Y1023 VanDerWaalsContact CD2-CE2 3.42Å; F918-Y1023 HydrophobicContact CD2-CG 4.2Å; F918-Y1023 AromaticContact CD2-CZ 3.74Å; F918-Y1023 AromaticContact CE2-CD2 3.63Å; F918-Y1023 HydrophobicContact CE2-CD2 3.63Å; F918-Y1023 AromaticContact CE2-CE2 3.55Å; F918-Y1023 HydrophobicContact CE2-CE2 3.55Å; F918-Y1023 HydrophobicContact CE2-CG 4.47Å; F918-Y1028 HydrophobicContact CB-CD1 3.95Å; F918-Y1028 AromaticContact CD1-CD1 3.92Å; F918-Y1028 HydrophobicContact CD1-CD1 3.92Å; F918-Y1028 AromaticContact CD1-CE1 3.74Å; F918-Y1028 HydrophobicContact CD1-CE1 3.74Å; F918-Y1028 AromaticContact CD2-CD1 3.94Å; F918-Y1028 HydrophobicContact CD2-CD1 3.94Å; F918-Y1028 HydrophobicContact CD2-CE1 4.15Å; F918-Y1028 HydrophobicContact CE1-CD1 4.42Å; F918-Y1028 AromaticContact CE1-CE1 3.82Å; F918-Y1028 HydrophobicContact CE1-CE1 3.82Å; F918-Y1028 HydrophobicContact CE2-CD1 4.43Å; F918-Y1028 HydrophobicContact CE2-CE1 4.22Å; F918-Y1028 AromaticContact CG-CD1 3.65Å; F918-Y1028 HydrophobicContact CG-CD1 3.65Å; F918-Y1028 AromaticContact CG-CE1 3.91Å; F918-Y1028 HydrophobicContact CG-CE1 3.91Å; F918-Y1028 HydrophobicContact CZ-CE1 4.07Å
919L91.1Very high83.7Confident0 Ų041.4 Ų41.40%022%0.224CC..Hα-helixtrans-63.8-46.7-178.6-171.860.3000111.6L889 V892 Y893 I896 L915 C916 R917 N921 N922 L923 I931 T936L889-L919 HydrophobicContact CB-CD1 4.32Å; L889-L919 HydrophobicContact CD2-CD1 3.89Å; V892-L919 HydrophobicContact CG1-CB 3.97Å; Y893-L919 HydrophobicContact CD2-CD2 3.67Å; Y893-L919 HydrophobicContact CG-CD2 4.34Å; I896-L919 HydrophobicContact CD1-CB 4.4Å; I896-L919 HydrophobicContact CD1-CD2 3.75Å; L915-L919 WeakPolarHBondContact O-CB 3.49Å; L915-L919 PolarHBondContact O-N 3.25Å; C916-L919 PolarHBondContact O-N 3.46Å; R917-L919 VanDerWaalsContact C-N 3.29Å; R917-L919 PolarHBondContact O-N 3.46Å; L919-N921 PolarHBondContact O-N 2.86Å; L919-N922 PolarHBondContact O-N 3.03Å; L919-N922 VanDerWaalsContact O-N 3.13Å; L919-L923 HydrophobicContact CD1-CD1 3.91Å; L919-L923 HydrophobicContact CD1-CD2 4.49Å; L919-L923 HydrophobicContact CD1-CG 4.02Å; L919-L923 HydrophobicContact CD2-CD1 4.19Å; L919-L923 HydrophobicContact CG-CD1 3.6Å; L919-L923 HydrophobicContact CG-CG 4.12Å; L919-L923 WeakPolarHBondContact O-CB 3.18Å; L919-L923 VanDerWaalsContact O-CG 3.25Å; L919-L923 WeakPolarHBondContact O-CG 3.19Å; L919-L923 PolarHBondContact O-N 3.2Å; L919-I931 HydrophobicContact CD2-CG2 4.1Å; L919-T936 HydrophobicContact CB-CG2 4.36Å; L919-T936 HydrophobicContact CD2-CG2 3.93Å; L919-T936 HydrophobicContact CG-CG2 4.39Å
920L89.1Confident83.5Confident28 Ų2841.4 Ų41.415%0.14723%0.231CC..Hα-helixtrans-65.7-35.1179.8-73.6168000113.5C916 R917 N922 L923 T936 L937 L940 L1007C916-L920 WeakPolarHBondContact O-CB 3.17Å; C916-L920 WeakPolarHBondContact O-CG 3.3Å; C916-L920 PolarHBondContact O-N 3.47Å; R917-L920 PolarHBondContact O-N 3.33Å; L920-N922 PolarHBondContact O-N 3.35Å; L920-L923 PolarHBondContact O-N 3.44Å; L920-T936 HydrophobicContact CD1-CG2 4.13Å; L920-T936 HydrophobicContact CD2-CG2 4.08Å; L920-T936 HydrophobicContact CG-CG2 3.74Å; L920-L937 HydrophobicContact CD1-CD2 3.81Å; L920-L937 HydrophobicContact CD1-CG 4.48Å; L920-L937 HydrophobicContact CD2-CD2 4.12Å; L920-L937 HydrophobicContact CD2-CG 4.22Å; L920-L940 HydrophobicContact CD1-CD2 3.48Å; L920-L940 VanDerWaalsContact CD1-CD2 3.48Å; L920-L1007 HydrophobicContact CB-CD2 4.06Å; L920-L1007 HydrophobicContact CD1-CD2 4.39Å
921N88Confident83.6Confident11 Ų1138.1 Ų38.16%0.05922%0.216CC..Hα-helixtrans-63.3-31.7174.4-71.8-19.2000111.7R917 F918 L919 T924 L1007 N1008 G1011R917-N921 WeakPolarHBondContact O-CB 3.28Å; R917-N921 PolarHBondContact O-N 3.35Å; R917-N921 PolarHBondContact O-ND2 3.23Å; F918-N921 PolarHBondContact O-N 2.98Å; L919-N921 PolarHBondContact O-N 2.86Å; N921-T924 WeakPolarHBondContact O-CG2 3.29Å; N921-L1007 WeakPolarHBondContact OD1-CA 3.38Å; N921-N1008 PolarHBondContact OD1-N 3.29Å; N921-G1011 WeakPolarHBondContact O-CA 3.29Å
922N86.3Confident83.6Confident41 Ų4138.8 Ų38.822%0.21922%0.221CC..Hα-helixtrans-92.4-18.4-179.4-69.1-69.5000114L889 F918 L919 L920 T924 S1012L889-N922 HydrophobicContact CD2-CB 3.72Å; F918-N922 WeakPolarHBondContact CE2-ND2 3.45Å; F918-N922 WeakPolarHBondContact CZ-ND2 3.42Å; F918-N922 PolarHBondContact O-N 2.84Å; F918-N922 PolarHBondContact O-ND2 3.24Å; L919-N922 PolarHBondContact O-N 3.03Å; L919-N922 VanDerWaalsContact O-N 3.13Å; L920-N922 PolarHBondContact O-N 3.35Å; N922-T924 VanDerWaalsContact C-N 3.33Å; N922-T924 PolarHBondContact O-N 3.14Å; N922-S1012 PolarHBondContact ND2-OG 2.98Å; N922-S1012 VanDerWaalsContact ND2-OG 3.09Å
923L80.4Confident83.4Confident7 Ų741.8 Ų41.84%0.03723%0.234CC..  trans-88.520.5-179.2-72.3178.3000115.2L919 L920 K925 L928 I931 K933L919-L923 HydrophobicContact CD1-CD1 3.91Å; L919-L923 HydrophobicContact CD1-CD2 4.49Å; L919-L923 HydrophobicContact CD1-CG 4.02Å; L919-L923 HydrophobicContact CD2-CD1 4.19Å; L919-L923 HydrophobicContact CG-CD1 3.6Å; L919-L923 HydrophobicContact CG-CG 4.12Å; L919-L923 WeakPolarHBondContact O-CB 3.18Å; L919-L923 VanDerWaalsContact O-CG 3.25Å; L919-L923 WeakPolarHBondContact O-CG 3.19Å; L919-L923 PolarHBondContact O-N 3.2Å; L920-L923 PolarHBondContact O-N 3.44Å; L923-K925 VanDerWaalsContact C-N 3.29Å; L923-K925 PolarHBondContact O-N 3.07Å; L923-L928 HydrophobicContact CD2-CD1 4Å; L923-L928 HydrophobicContact CD2-CG 4.3Å; L923-I931 HydrophobicContact CD1-CG2 3.87Å; L923-K933 PolarHBondContact O-NZ 3.4Å
924T63.8Low83.4Confident74 Ų7442.2 Ų42.245%0.45424%0.237SC..SBendtrans-69.5-16.1-166.8510000115.3N921 N922N921-T924 WeakPolarHBondContact O-CG2 3.29Å; N922-T924 VanDerWaalsContact C-N 3.33Å; N922-T924 PolarHBondContact O-N 3.14Å
925K60.5Low83.4Confident185 Ų18542.3 Ų42.380%0.80424%0.237SC*.SBendtrans-127.9-39-177-68.3-176.5-179.31770115.7L923L923-K925 VanDerWaalsContact C-N 3.29Å; L923-K925 PolarHBondContact O-N 3.07Å
926D61.7Low83.4Confident122 Ų12242.1 Ų42.165%0.65224%0.236SC*.  trans-116.3145.3-174.6-65.1-40.9000113
927V66.4Low83.4Confident111 Ų11142.8 Ų42.867%0.67324%0.239SC*.  trans-91.4110170.9179.70000107.7
928L83.4Confident83.6Confident33 Ų3343 Ų4317%0.17324%0.241CC..  trans-76141.2175.8-68.2174.1000110.6L886 L889 L923 G930 I931L886-L928 HydrophobicContact CD2-CD1 3.97Å; L886-L928 HydrophobicContact CD2-CD2 3.64Å; L886-L928 HydrophobicContact CD2-CG 4.46Å; L889-L928 HydrophobicContact CB-CD1 4.29Å; L889-L928 HydrophobicContact CD1-CD1 3.36Å; L889-L928 HydrophobicContact CG-CD1 4.47Å; L923-L928 HydrophobicContact CD2-CD1 4Å; L923-L928 HydrophobicContact CD2-CG 4.3Å; L928-G930 PolarHBondContact O-N 3.09Å; L928-I931 HydrophobicContact CB-CB 4.38Å; L928-I931 HydrophobicContact CB-CD1 4.02Å; L928-I931 HydrophobicContact CB-CG1 4.29Å; L928-I931 HydrophobicContact CD1-CD1 3.93Å; L928-I931 PolarHBondContact O-N 3.16Å
929P82.1Confident83.7Confident87 Ų8742.6 Ų42.657%0.56524%0.239SC*.THydrogen-bonded Turntrans-53.9133176.3-26.134.9000112.1V843 Y890 I931V843-P929 HydrophobicContact CG1-CB 4.11Å; V843-P929 WeakPolarHBondContact CG1-O 3.45Å; Y890-P929 WeakPolarHBondContact CE1-O 3.25Å; Y890-P929 PolarHBondContact OH-O 3.27Å; P929-I931 PolarHBondContact O-N 2.96Å; P929-I931 VanDerWaalsContact O-N 3.12Å
930G83.4Confident83.8Confident40 Ų4042.6 Ų42.641%0.41224%0.239SC..THydrogen-bonded Turntrans77.9-19.6176.900000116.5F848 Y893 L928 S932F848-G930 VanDerWaalsContact CZ-O 3.31Å; F848-G930 WeakPolarHBondContact CZ-O 3.35Å; Y893-G930 WeakPolarHBondContact CE1-O 3.28Å; L928-G930 PolarHBondContact O-N 3.09Å; G930-S932 PolarHBondContact O-N 3.17Å
931I90.1Very high84Confident10 Ų1041.3 Ų41.35%0.05123%0.232CC..  trans-82.4112.5178.9-61.6-174.1000111L889 Y890 Y893 L919 L923 L928 P929 K933L889-I931 HydrophobicContact CB-CD1 4.3Å; Y890-I931 HydrophobicContact CD1-CD1 4.04Å; Y890-I931 HydrophobicContact CD1-CG1 4.05Å; Y890-I931 HydrophobicContact CE1-CD1 4.06Å; Y890-I931 HydrophobicContact CE1-CG1 3.83Å; Y893-I931 HydrophobicContact CD1-CB 4.37Å; Y893-I931 HydrophobicContact CD1-CG1 3.93Å; Y893-I931 HydrophobicContact CD1-CG2 4.49Å; Y893-I931 HydrophobicContact CD2-CB 4.42Å; Y893-I931 HydrophobicContact CD2-CG2 3.69Å; Y893-I931 HydrophobicContact CE2-CG2 3.97Å; Y893-I931 HydrophobicContact CG-CB 4.3Å; Y893-I931 HydrophobicContact CG-CD1 4.5Å; Y893-I931 HydrophobicContact CG-CG1 3.96Å; Y893-I931 HydrophobicContact CG-CG2 3.97Å; L919-I931 HydrophobicContact CD2-CG2 4.1Å; L923-I931 HydrophobicContact CD1-CG2 3.87Å; L928-I931 HydrophobicContact CB-CB 4.38Å; L928-I931 HydrophobicContact CB-CD1 4.02Å; L928-I931 HydrophobicContact CB-CG1 4.29Å; L928-I931 HydrophobicContact CD1-CD1 3.93Å; L928-I931 PolarHBondContact O-N 3.16Å; P929-I931 PolarHBondContact O-N 2.96Å; P929-I931 VanDerWaalsContact O-N 3.12Å; I931-K933 PolarHBondContact O-N 2.97Å
932S89.6Confident84.2Confident32 Ų3244.7 Ų44.722%0.22425%0.246CC..  trans-83.9114.1177.9-178.30000112.3Y893 G930 V934 N935 T936Y893-S932 WeakPolarHBondContact OH-CB 3.38Å; Y893-S932 PolarHBondContact OH-N 2.95Å; G930-S932 PolarHBondContact O-N 3.17Å; S932-V934 PolarHBondContact O-N 3.15Å; S932-V934 PolarHBondContact OG-N 2.9Å; S932-N935 PolarHBondContact O-N 3.45Å; S932-N935 PolarHBondContact OG-N 2.53Å; S932-N935 VanDerWaalsContact OG-N 3.15Å; S932-N935 PolarHBondContact OG-OD1 2.97Å; S932-T936 PolarHBondContact O-N 3.35Å; S932-T936 PolarHBondContact O-OG1 3.19Å
933K88.9Confident84.5Confident63 Ų6342.9 Ų42.927%0.27424%0.236SC..Hα-helixtrans-61.3-31.9168.2-71.3-172.4176.1-174.30112L923 I931 L937 L963L923-K933 PolarHBondContact O-NZ 3.4Å; I931-K933 PolarHBondContact O-N 2.97Å; K933-L937 WeakPolarHBondContact O-CB 3.41Å; K933-L937 WeakPolarHBondContact O-CG 3.33Å; K933-L937 PolarHBondContact O-N 3.05Å; K933-L963 HydrophobicContact CB-CD1 4.11Å
934V90.6Very high85Confident12 Ų1242.5 Ų42.57%0.07323%0.234CC..Hα-helixtrans-67.4-48.9178.8177.30000110.9S932 T936 L937 F938 L960 L963 L969S932-V934 PolarHBondContact O-N 3.15Å; S932-V934 PolarHBondContact OG-N 2.9Å; V934-T936 VanDerWaalsContact C-N 3.27Å; V934-T936 PolarHBondContact O-N 2.75Å; V934-L937 PolarHBondContact O-N 3.2Å; V934-F938 VanDerWaalsContact O-CB 3.22Å; V934-F938 WeakPolarHBondContact O-CB 3.31Å; V934-F938 PolarHBondContact O-N 2.92Å; V934-L960 HydrophobicContact CB-CD2 4.46Å; V934-L960 HydrophobicContact CG1-CD2 3.96Å; V934-L963 HydrophobicContact CG2-CB 3.88Å; V934-L963 HydrophobicContact CG2-CD1 3.99Å; V934-L969 HydrophobicContact CG1-CD1 4.38Å
935N91.3Very high86.3Confident15 Ų1540.7 Ų40.78%0.0822%0.224CC..Hα-helixtrans-61.7-41179.2-67.65.2000110.7Q897 T900 S932 F938 A939Q897-N935 PolarHBondContact OE1-ND2 3.34Å; T900-N935 HydrophobicContact CG2-CB 3.97Å; S932-N935 PolarHBondContact O-N 3.45Å; S932-N935 PolarHBondContact OG-N 2.53Å; S932-N935 VanDerWaalsContact OG-N 3.15Å; S932-N935 PolarHBondContact OG-OD1 2.97Å; N935-F938 PolarHBondContact O-N 3.2Å; N935-A939 VanDerWaalsContact O-CB 3.32Å; N935-A939 WeakPolarHBondContact O-CB 3.47Å; N935-A939 PolarHBondContact O-N 3.1Å
936T92.6Very high87.6Confident0 Ų037.9 Ų37.90%021%0.212CC..Hα-helixtrans-63.6-48.6178-51.30000112.3I896 C916 L919 L920 S932 V934 L940I896-T936 HydrophobicContact CD1-CG2 4.22Å; C916-T936 HydrophobicContact CB-CG2 4.23Å; L919-T936 HydrophobicContact CB-CG2 4.36Å; L919-T936 HydrophobicContact CD2-CG2 3.93Å; L919-T936 HydrophobicContact CG-CG2 4.39Å; L920-T936 HydrophobicContact CD1-CG2 4.13Å; L920-T936 HydrophobicContact CD2-CG2 4.08Å; L920-T936 HydrophobicContact CG-CG2 3.74Å; S932-T936 PolarHBondContact O-N 3.35Å; S932-T936 PolarHBondContact O-OG1 3.19Å; V934-T936 VanDerWaalsContact C-N 3.27Å; V934-T936 PolarHBondContact O-N 2.75Å; T936-L940 WeakPolarHBondContact O-CB 3.15Å; T936-L940 PolarHBondContact O-N 2.88Å
937L92.4Very high88.9Confident14 Ų1433.5 Ų33.57%0.07319%0.189CC..Hα-helixtrans-68.7-34.9178.5-76.5168.3000112.3L920 K933 V934 A941 K959 L960 L963L920-L937 HydrophobicContact CD1-CD2 3.81Å; L920-L937 HydrophobicContact CD1-CG 4.48Å; L920-L937 HydrophobicContact CD2-CD2 4.12Å; L920-L937 HydrophobicContact CD2-CG 4.22Å; K933-L937 WeakPolarHBondContact O-CB 3.41Å; K933-L937 WeakPolarHBondContact O-CG 3.33Å; K933-L937 PolarHBondContact O-N 3.05Å; V934-L937 PolarHBondContact O-N 3.2Å; L937-A941 VanDerWaalsContact O-CB 3.3Å; L937-A941 WeakPolarHBondContact O-CB 3.37Å; L937-A941 PolarHBondContact O-N 3.33Å; L937-K959 HydrophobicContact CD1-CB 4.06Å; L937-K959 HydrophobicContact CD2-CB 4.42Å; L937-L960 HydrophobicContact CB-CD1 4.34Å; L937-L960 HydrophobicContact CB-CD2 3.6Å; L937-L960 HydrophobicContact CB-CG 3.79Å; L937-L960 HydrophobicContact CD1-CD2 4.39Å; L937-L963 HydrophobicContact CD1-CD1 3.73Å
938F93.1Very high90Very high10 Ų1028.7 Ų28.74%0.04416%0.161CC..Hα-helixtrans-66.5-48.5176.5175-111.5000111.9T900 V934 N935 L940 A941 K942 L960 L969 I973T900-F938 HydrophobicContact CG2-CD1 4.29Å; V934-F938 VanDerWaalsContact O-CB 3.22Å; V934-F938 WeakPolarHBondContact O-CB 3.31Å; V934-F938 PolarHBondContact O-N 2.92Å; N935-F938 PolarHBondContact O-N 3.2Å; F938-L940 VanDerWaalsContact C-N 3.33Å; F938-L940 PolarHBondContact O-N 3.14Å; F938-A941 PolarHBondContact O-N 3.19Å; F938-K942 HydrophobicContact CZ-CD 4.43Å; F938-K942 WeakPolarHBondContact O-CB 3.32Å; F938-K942 PolarHBondContact O-N 3.04Å; F938-L960 HydrophobicContact CB-CD1 4.36Å; F938-L969 HydrophobicContact CD1-CD1 4.41Å; F938-L969 HydrophobicContact CD1-CD2 4.16Å; F938-L969 HydrophobicContact CE1-CD2 3.82Å; F938-L969 HydrophobicContact CZ-CD2 4.13Å; F938-I973 HydrophobicContact CD2-CD1 4.01Å; F938-I973 HydrophobicContact CD2-CG1 3.5Å; F938-I973 HydrophobicContact CE2-CG1 3.84Å; F938-I973 HydrophobicContact CG-CG1 4.5Å
939A93.3Very high90.3Very high0 Ų027.1 Ų27.10%015%0.153CC..Hα-helixtrans-59.2-45.2174.500000110.9I896 Y899 T900 I912 N935 A941 K942 E943I896-A939 HydrophobicContact CG2-CB 4.14Å; Y899-A939 HydrophobicContact CD1-CB 3.77Å; Y899-A939 HydrophobicContact CE1-CB 3.88Å; T900-A939 HydrophobicContact CG2-CB 4.46Å; I912-A939 HydrophobicContact CG2-CB 4.37Å; N935-A939 VanDerWaalsContact O-CB 3.32Å; N935-A939 WeakPolarHBondContact O-CB 3.47Å; N935-A939 PolarHBondContact O-N 3.1Å; A939-A941 PolarHBondContact O-N 3.42Å; A939-K942 PolarHBondContact O-N 2.82Å; A939-E943 PolarHBondContact O-N 3.09Å
940L93.5Very high90.7Very high0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-59.6-47.8176-176.261.2000112F913 C916 R917 L920 T936 F938 K942 S944 L952 S956 L1007F913-L940 HydrophobicContact CD2-CD1 3.71Å; F913-L940 HydrophobicContact CE2-CD1 3.95Å; C916-L940 HydrophobicContact CB-CB 3.88Å; C916-L940 HydrophobicContact CB-CD1 4.03Å; C916-L940 HydrophobicContact CB-CG 4.44Å; R917-L940 HydrophobicContact CG-CD1 3.89Å; L920-L940 HydrophobicContact CD1-CD2 3.48Å; L920-L940 VanDerWaalsContact CD1-CD2 3.48Å; T936-L940 WeakPolarHBondContact O-CB 3.15Å; T936-L940 PolarHBondContact O-N 2.88Å; F938-L940 VanDerWaalsContact C-N 3.33Å; F938-L940 PolarHBondContact O-N 3.14Å; L940-K942 VanDerWaalsContact C-N 3.33Å; L940-K942 PolarHBondContact O-N 2.57Å; L940-S944 WeakPolarHBondContact O-CB 3.38Å; L940-S944 PolarHBondContact O-N 3.32Å; L940-S944 PolarHBondContact O-OG 3.23Å; L940-L952 HydrophobicContact CD1-CD2 4.2Å; L940-L952 HydrophobicContact CD2-CD1 4.45Å; L940-L952 HydrophobicContact CD2-CD2 4.45Å; L940-L952 HydrophobicContact CD2-CG 4.47Å; L940-S956 WeakPolarHBondContact CD2-OG 3.25Å; L940-L1007 HydrophobicContact CD2-CD1 4.44Å
941A93.2Very high91.1Very high0 Ų028.5 Ų28.50%014%0.138CC..Hα-helixtrans-61.3-42.9-178.300000111.8L937 F938 A939 C945 Y957L937-A941 VanDerWaalsContact O-CB 3.3Å; L937-A941 WeakPolarHBondContact O-CB 3.37Å; L937-A941 PolarHBondContact O-N 3.33Å; F938-A941 PolarHBondContact O-N 3.19Å; A939-A941 PolarHBondContact O-N 3.42Å; A941-C945 PolarHBondContact O-N 2.85Å; A941-C945 VanDerWaalsContact O-N 3.08Å; A941-C945 PolarHBondContact O-SG 3.35Å; A941-Y957 HydrophobicContact CB-CD1 4.06Å; A941-Y957 HydrophobicContact CB-CD2 4Å; A941-Y957 HydrophobicContact CB-CE1 3.79Å; A941-Y957 HydrophobicContact CB-CE2 3.75Å; A941-Y957 HydrophobicContact CB-CG 4.15Å
942K92.2Very high91.1Very high83 Ų8328.6 Ų28.636%0.36114%0.138SC..Hα-helixtrans-68.4-46.2-179.1-174.9171.8166.8-158.70112.3Y899 F938 A939 L940 C945 K946Y899-K942 WeakPolarHBondContact OH-CD 3.49Å; Y899-K942 VanDerWaalsContact OH-CE 3.22Å; Y899-K942 WeakPolarHBondContact OH-CE 3.49Å; Y899-K942 PolarHBondContact OH-NZ 3.34Å; F938-K942 HydrophobicContact CZ-CD 4.43Å; F938-K942 WeakPolarHBondContact O-CB 3.32Å; F938-K942 PolarHBondContact O-N 3.04Å; A939-K942 PolarHBondContact O-N 2.82Å; L940-K942 VanDerWaalsContact C-N 3.33Å; L940-K942 PolarHBondContact O-N 2.57Å; K942-C945 PolarHBondContact O-N 2.8Å; K942-K946 PolarHBondContact O-N 3.02Å
943E92.3Very high91.3Very high2 Ų227.1 Ų27.11%0.00913%0.128CC..Hα-helixtrans-71.6-37.9178-63.2-50.1127.100111.6Y899 P909 I912 F913 A939 C945 K946 L947Y899-E943 HydrophobicContact CE2-CG 4.47Å; Y899-E943 WeakPolarHBondContact CE2-OE1 3.19Å; Y899-E943 PolarHBondContact OH-OE1 3.3Å; P909-E943 WeakPolarHBondContact CA-OE2 3.35Å; P909-E943 VanDerWaalsContact CB-OE2 3.24Å; P909-E943 WeakPolarHBondContact CB-OE2 3.48Å; I912-E943 HydrophobicContact CB-CG 4.24Å; I912-E943 HydrophobicContact CG2-CG 3.92Å; F913-E943 HydrophobicContact CB-CB 4.37Å; A939-E943 PolarHBondContact O-N 3.09Å; E943-C945 VanDerWaalsContact C-N 3.27Å; E943-C945 PolarHBondContact O-N 3.05Å; E943-K946 PolarHBondContact O-N 2.96Å; E943-K946 IonicContact OE1-NZ 2.81Å; E943-K946 PolarHBondContact OE1-NZ 3.33Å; E943-K946 WeakPolarHBondContact OE2-CD 3.44Å; E943-K946 IonicContact OE2-NZ 3.37Å; E943-K946 PolarHBondContact OE2-NZ 2.76Å; E943-L947 VanDerWaalsContact O-CB 3.32Å; E943-L947 WeakPolarHBondContact O-CB 3.25Å; E943-L947 WeakPolarHBondContact O-CG 3.4Å; E943-L947 PolarHBondContact O-N 3.15Å
944S91.6Very high91.4Very high0 Ų025.4 Ų25.40%012%0.12CC..Hα-helixtrans-58-38.5173-59.60000112.1F913 L940 G948 A949F913-S944 WeakPolarHBondContact CE2-OG 3.36Å; L940-S944 WeakPolarHBondContact O-CB 3.38Å; L940-S944 PolarHBondContact O-N 3.32Å; L940-S944 PolarHBondContact O-OG 3.23Å; S944-G948 PolarHBondContact O-N 2.92Å; S944-A949 WeakPolarHBondContact CB-O 3.44Å; S944-A949 PolarHBondContact O-N 2.94Å
945C89.8Confident91.5Very high35 Ų3530 Ų3024%0.23614%0.136CC..Hα-helixtrans-65-39.1174.8-73.40000113.2A941 K942 E943 Y950 A953A941-C945 PolarHBondContact O-N 2.85Å; A941-C945 VanDerWaalsContact O-N 3.08Å; A941-C945 PolarHBondContact O-SG 3.35Å; K942-C945 PolarHBondContact O-N 2.8Å; E943-C945 VanDerWaalsContact C-N 3.27Å; E943-C945 PolarHBondContact O-N 3.05Å; C945-Y950 WeakPolarHBondContact O-CE1 3.46Å; C945-A953 VanDerWaalsContact SG-CB 3.58Å
946K89.1Confident91.6Very high126 Ų12629.2 Ų29.255%0.54813%0.132SC..Hα-helixtrans-71.4-40.9179.6-71.7173.2179.7172.50111.7K942 E943 G948K942-K946 PolarHBondContact O-N 3.02Å; E943-K946 PolarHBondContact O-N 2.96Å; E943-K946 IonicContact OE1-NZ 2.81Å; E943-K946 PolarHBondContact OE1-NZ 3.33Å; E943-K946 WeakPolarHBondContact OE2-CD 3.44Å; E943-K946 IonicContact OE2-NZ 3.37Å; E943-K946 PolarHBondContact OE2-NZ 2.76Å; K946-G948 VanDerWaalsContact C-N 3.32Å
947L88.8Confident91.6Very high31 Ų3129.8 Ų29.816%0.16214%0.135CC..Hα-helixtrans-79.1-13.7-176.7-70.8177.6000112.8P909 E910 F913 E943 F991P909-L947 HydrophobicContact CB-CD1 4.43Å; P909-L947 HydrophobicContact CB-CD2 4.01Å; P909-L947 HydrophobicContact CB-CG 4.29Å; E910-L947 HydrophobicContact CG-CD2 4.05Å; F913-L947 HydrophobicContact CB-CD1 3.65Å; F913-L947 HydrophobicContact CD1-CD1 4.29Å; F913-L947 HydrophobicContact CD2-CD1 4.09Å; F913-L947 HydrophobicContact CG-CD1 3.79Å; E943-L947 VanDerWaalsContact O-CB 3.32Å; E943-L947 WeakPolarHBondContact O-CB 3.25Å; E943-L947 WeakPolarHBondContact O-CG 3.4Å; E943-L947 PolarHBondContact O-N 3.15Å; L947-F991 HydrophobicContact CB-CE1 4.17Å; L947-F991 HydrophobicContact CB-CE2 4.36Å; L947-F991 HydrophobicContact CB-CZ 3.59Å; L947-F991 HydrophobicContact CD1-CE1 4.49Å; L947-F991 WeakPolarHBondContact O-CE2 3.3Å; L947-F991 WeakPolarHBondContact O-CZ 3.36Å
948G88.5Confident91.5Very high10 Ų1034.2 Ų34.210%0.10316%0.155CC..THydrogen-bonded Turntrans90.311.4178.100000114.7S944 K946 Y950 S988S944-G948 PolarHBondContact O-N 2.92Å; K946-G948 VanDerWaalsContact C-N 3.32Å; G948-Y950 WeakPolarHBondContact O-CD2 3.06Å; G948-Y950 PolarHBondContact O-N 3.41Å; G948-Y950 VanDerWaalsContact O-N 3.09Å; G948-S988 PolarHBondContact O-N 3.09Å; G948-S988 VanDerWaalsContact O-N 3.15Å
949A89.1Confident91.3Very high0 Ų036.7 Ų36.70%017%0.166CC..  trans-82.564.7169.600000110.9F913 S944 K951 L952 A953 D987 F991F913-A949 HydrophobicContact CE2-CB 4.23Å; F913-A949 HydrophobicContact CZ-CB 4.33Å; S944-A949 WeakPolarHBondContact CB-O 3.44Å; S944-A949 PolarHBondContact O-N 2.94Å; A949-K951 PolarHBondContact O-N 3.08Å; A949-L952 HydrophobicContact CB-CB 4.33Å; A949-L952 PolarHBondContact O-N 2.97Å; A949-A953 WeakPolarHBondContact O-CB 3.37Å; A949-A953 PolarHBondContact O-N 3.21Å; A949-D987 WeakPolarHBondContact CA-OD1 3.4Å; A949-D987 HydrophobicContact CB-CB 4.35Å; A949-F991 HydrophobicContact CB-CD2 4.21Å; A949-F991 HydrophobicContact CB-CE2 4.29Å
950Y91.9Very high91.2Very high50 Ų5036.7 Ų36.720%0.19617%0.166CC..Hα-helixtrans-70.8-29.4-170.1-57.5-61.7000114.6C945 G948 R954 I980 K983 P984 D987C945-Y950 WeakPolarHBondContact O-CE1 3.46Å; G948-Y950 WeakPolarHBondContact O-CD2 3.06Å; G948-Y950 PolarHBondContact O-N 3.41Å; G948-Y950 VanDerWaalsContact O-N 3.09Å; Y950-R954 WeakPolarHBondContact O-CG 3.45Å; Y950-R954 PolarHBondContact O-N 3.43Å; Y950-R954 VanDerWaalsContact O-N 3.1Å; Y950-I980 HydrophobicContact CD1-CD1 3.71Å; Y950-I980 HydrophobicContact CG-CD1 4.3Å; Y950-K983 HydrophobicContact CD1-CB 3.72Å; Y950-K983 HydrophobicContact CD1-CD 4.35Å; Y950-K983 HydrophobicContact CD1-CG 3.81Å; Y950-K983 HydrophobicContact CD2-CB 4.33Å; Y950-K983 HydrophobicContact CE1-CB 4.12Å; Y950-K983 HydrophobicContact CE1-CD 3.88Å; Y950-K983 HydrophobicContact CE1-CG 3.83Å; Y950-K983 HydrophobicContact CG-CB 3.81Å; Y950-K983 HydrophobicContact CG-CG 4.41Å; Y950-P984 WeakPolarHBondContact CB-O 3.47Å; Y950-P984 HydrophobicContact CD2-CG 3.8Å; Y950-P984 HydrophobicContact CE2-CG 4.1Å; Y950-D987 PolarHBondContact N-OD1 3.47Å; Y950-D987 VanDerWaalsContact N-OD1 3.08Å
951K91Very high90.9Very high106 Ų10643.1 Ų43.146%0.46120%0.196SC..Hα-helixtrans-70.2-41.5176179.9-172.1177-174.60110A949 R954 Y955 F985 D987A949-K951 PolarHBondContact O-N 3.08Å; K951-R954 PolarHBondContact O-N 3.05Å; K951-Y955 PolarHBondContact O-N 2.97Å; K951-F985 HydrophobicContact CD-CE1 4.33Å; K951-F985 HydrophobicContact CG-CE1 4.28Å; K951-F985 HydrophobicContact CG-CE2 4.37Å; K951-F985 HydrophobicContact CG-CZ 4.08Å; K951-D987 WeakPolarHBondContact CA-OD1 3.38Å; K951-D987 VanDerWaalsContact CB-OD1 3.29Å; K951-D987 WeakPolarHBondContact CB-OD1 3.29Å; K951-D987 PolarHBondContact N-OD1 3.19Å
952L90.6Very high90.6Very high12 Ų1249.6 Ų49.66%0.06323%0.226CC..Hα-helixtrans-65.1-42.8173.4-177.458.8000111.8F913 L940 A949 R954 Y955 S956 D987 L1006 L1007F913-L952 HydrophobicContact CE2-CD2 3.77Å; F913-L952 HydrophobicContact CZ-CD2 3.99Å; L940-L952 HydrophobicContact CD1-CD2 4.2Å; L940-L952 HydrophobicContact CD2-CD1 4.45Å; L940-L952 HydrophobicContact CD2-CD2 4.45Å; L940-L952 HydrophobicContact CD2-CG 4.47Å; A949-L952 HydrophobicContact CB-CB 4.33Å; A949-L952 PolarHBondContact O-N 2.97Å; L952-R954 VanDerWaalsContact C-N 3.3Å; L952-R954 PolarHBondContact O-N 3.15Å; L952-Y955 HydrophobicContact CD1-CD1 4.31Å; L952-Y955 WeakPolarHBondContact O-CB 3.42Å; L952-Y955 PolarHBondContact O-N 3.36Å; L952-S956 PolarHBondContact O-N 3.4Å; L952-S956 PolarHBondContact O-OG 2.99Å; L952-D987 PolarHBondContact N-OD1 3.08Å; L952-D987 VanDerWaalsContact N-OD1 3.13Å; L952-L1006 HydrophobicContact CB-CD1 4.28Å; L952-L1006 HydrophobicContact CD2-CB 3.94Å; L952-L1006 HydrophobicContact CD2-CD1 3.87Å; L952-L1007 HydrophobicContact CD1-CD1 3.55Å; L952-L1007 HydrophobicContact CD1-CG 3.84Å
953A92.8Very high90.4Very high0 Ų048.8 Ų48.80%023%0.225CC..Hα-helixtrans-58-41.4176.900000112.6C945 A949 S956 Y957 I980C945-A953 VanDerWaalsContact SG-CB 3.58Å; A949-A953 WeakPolarHBondContact O-CB 3.37Å; A949-A953 PolarHBondContact O-N 3.21Å; A953-S956 PolarHBondContact O-N 2.99Å; A953-Y957 WeakPolarHBondContact O-CD2 3.48Å; A953-Y957 PolarHBondContact O-N 2.89Å; A953-I980 HydrophobicContact CB-CD1 3.85Å; A953-I980 HydrophobicContact CB-CG1 4.15Å
954R92.3Very high90.2Very high27 Ų2757.1 Ų57.110%0.10226%0.264CS..Hα-helixtrans-61.2-49.4174.8-74.7177.7173.3154.4-7.4112Y950 K951 L952 S956 Y957 E958 I980 H981 K983 P984 F985Y950-R954 WeakPolarHBondContact O-CG 3.45Å; Y950-R954 PolarHBondContact O-N 3.43Å; Y950-R954 VanDerWaalsContact O-N 3.1Å; K951-R954 PolarHBondContact O-N 3.05Å; L952-R954 VanDerWaalsContact C-N 3.3Å; L952-R954 PolarHBondContact O-N 3.15Å; R954-S956 VanDerWaalsContact C-N 3.26Å; R954-S956 PolarHBondContact O-N 3.28Å; R954-Y957 PolarHBondContact O-N 3.47Å; R954-E958 WeakPolarHBondContact O-CG 3.41Å; R954-E958 PolarHBondContact O-N 3.29Å; R954-I980 HydrophobicContact CB-CG1 4.49Å; R954-I980 HydrophobicContact CG-CB 4.32Å; R954-I980 HydrophobicContact CG-CD1 4.48Å; R954-I980 HydrophobicContact CG-CG1 3.4Å; R954-I980 HydrophobicContact CG-CG2 3.95Å; R954-I980 PolarHBondContact NE-O 2.66Å; R954-I980 PolarHBondContact NH2-O 3.45Å; R954-H981 PolarHBondContact NH2-O 3.38Å; R954-K983 PolarHBondContact NH2-O 3.49Å; R954-P984 PolarHBondContact NH1-O 3.34Å; R954-F985 VanDerWaalsContact NH1-CD2 3.31Å
955Y92.1Very high90Very high108 Ų10859 Ų5942%0.42427%0.273SS..Hα-helixtrans-55.8-43.5176.7172.8-94.7000111.5K951 L952 E958 K959 L1007K951-Y955 PolarHBondContact O-N 2.97Å; L952-Y955 HydrophobicContact CD1-CD1 4.31Å; L952-Y955 WeakPolarHBondContact O-CB 3.42Å; L952-Y955 PolarHBondContact O-N 3.36Å; Y955-E958 PolarHBondContact O-N 3.43Å; Y955-K959 HydrophobicContact CD1-CG 4.48Å; Y955-K959 HydrophobicContact CE1-CG 4.02Å; Y955-K959 HydrophobicContact CE2-CG 4.14Å; Y955-K959 WeakPolarHBondContact O-CB 3.42Å; Y955-K959 WeakPolarHBondContact O-CG 3.35Å; Y955-K959 PolarHBondContact O-N 3.44Å; Y955-L1007 HydrophobicContact CD1-CD1 3.93Å; Y955-L1007 HydrophobicContact CE1-CD1 3.63Å
956S92.6Very high89.8Confident0 Ų059.3 Ų59.30%028%0.275CS..Hα-helixtrans-65-43.1177.4-60.40000112.8L940 L952 A953 R954 K959 L960L940-S956 WeakPolarHBondContact CD2-OG 3.25Å; L952-S956 PolarHBondContact O-N 3.4Å; L952-S956 PolarHBondContact O-OG 2.99Å; A953-S956 PolarHBondContact O-N 2.99Å; R954-S956 VanDerWaalsContact C-N 3.26Å; R954-S956 PolarHBondContact O-N 3.28Å; S956-K959 PolarHBondContact O-N 3.45Å; S956-L960 WeakPolarHBondContact O-CG 3.44Å; S956-L960 PolarHBondContact O-N 2.96Å
957Y93.1Very high89.6Confident12 Ų1258.7 Ų58.75%0.04729%0.287CS..Hα-helixtrans-66.2-38.7176.2-78.8-57.8000113A941 A953 R954 K959 L960 Q961 I973 I980A941-Y957 HydrophobicContact CB-CD1 4.06Å; A941-Y957 HydrophobicContact CB-CD2 4Å; A941-Y957 HydrophobicContact CB-CE1 3.79Å; A941-Y957 HydrophobicContact CB-CE2 3.75Å; A941-Y957 HydrophobicContact CB-CG 4.15Å; A953-Y957 WeakPolarHBondContact O-CD2 3.48Å; A953-Y957 PolarHBondContact O-N 2.89Å; R954-Y957 PolarHBondContact O-N 3.47Å; Y957-K959 VanDerWaalsContact C-N 3.33Å; Y957-L960 HydrophobicContact CD1-CD1 4.03Å; Y957-L960 HydrophobicContact CE1-CD1 4.45Å; Y957-L960 PolarHBondContact O-N 3.37Å; Y957-Q961 PolarHBondContact O-N 3.13Å; Y957-I973 HydrophobicContact CD1-CG2 4.22Å; Y957-I980 HydrophobicContact CD2-CB 4.26Å; Y957-I980 HydrophobicContact CD2-CG2 3.88Å; Y957-I980 HydrophobicContact CE2-CB 4.44Å; Y957-I980 HydrophobicContact CE2-CG2 4.48Å
958E90.6Very high89.5Confident107 Ų10763.3 Ų63.350%0.531%0.307SS..Hα-helixtrans-61.7-43.1172.9-73.5172.5-175.800110.9R954 Y955 L960 Q961R954-E958 WeakPolarHBondContact O-CG 3.41Å; R954-E958 PolarHBondContact O-N 3.29Å; Y955-E958 PolarHBondContact O-N 3.43Å; E958-L960 VanDerWaalsContact C-N 3.34Å; E958-L960 PolarHBondContact O-N 2.8Å; E958-Q961 WeakPolarHBondContact O-CB 3.33Å; E958-Q961 PolarHBondContact O-N 2.68Å
959K89.6Confident89.4Confident62 Ų6263.3 Ų63.327%0.2731%0.305SS..Hα-helixtrans-67.7-30.2177.2-74.7-68170.3-153.50114.1L937 Y955 S956 Y957 Q961 E962L937-K959 HydrophobicContact CD1-CB 4.06Å; L937-K959 HydrophobicContact CD2-CB 4.42Å; Y955-K959 HydrophobicContact CD1-CG 4.48Å; Y955-K959 HydrophobicContact CE1-CG 4.02Å; Y955-K959 HydrophobicContact CE2-CG 4.14Å; Y955-K959 WeakPolarHBondContact O-CB 3.42Å; Y955-K959 WeakPolarHBondContact O-CG 3.35Å; Y955-K959 PolarHBondContact O-N 3.44Å; S956-K959 PolarHBondContact O-N 3.45Å; Y957-K959 VanDerWaalsContact C-N 3.33Å; K959-Q961 VanDerWaalsContact C-N 3.25Å; K959-Q961 PolarHBondContact O-N 2.83Å; K959-E962 WeakPolarHBondContact CD-OE2 3.31Å; K959-E962 IonicContact NZ-OE1 3.74Å; K959-E962 PolarHBondContact NZ-OE1 3.17Å; K959-E962 IonicContact NZ-OE2 3.71Å; K959-E962 PolarHBondContact NZ-OE2 3.09Å; K959-E962 PolarHBondContact O-N 3.18Å
960L91.4Very high89.4Confident0 Ų065.6 Ų65.60%032%0.319CS..Hα-helixtrans-64.2-30.8174.6-77.9166.9000112.4V934 L937 F938 S956 Y957 E958 E962 L963 I973V934-L960 HydrophobicContact CB-CD2 4.46Å; V934-L960 HydrophobicContact CG1-CD2 3.96Å; L937-L960 HydrophobicContact CB-CD1 4.34Å; L937-L960 HydrophobicContact CB-CD2 3.6Å; L937-L960 HydrophobicContact CB-CG 3.79Å; L937-L960 HydrophobicContact CD1-CD2 4.39Å; F938-L960 HydrophobicContact CB-CD1 4.36Å; S956-L960 WeakPolarHBondContact O-CG 3.44Å; S956-L960 PolarHBondContact O-N 2.96Å; Y957-L960 HydrophobicContact CD1-CD1 4.03Å; Y957-L960 HydrophobicContact CE1-CD1 4.45Å; Y957-L960 PolarHBondContact O-N 3.37Å; E958-L960 VanDerWaalsContact C-N 3.34Å; E958-L960 PolarHBondContact O-N 2.8Å; L960-E962 PolarHBondContact O-N 3.04Å; L960-L963 PolarHBondContact O-N 3.02Å; L960-I973 HydrophobicContact CB-CG2 4.32Å; L960-I973 HydrophobicContact CD1-CD1 4.22Å; L960-I973 HydrophobicContact CD1-CG1 4.25Å; L960-I973 HydrophobicContact CD1-CG2 4.32Å; L960-I973 HydrophobicContact CD2-CD1 4.41Å
961Q85.6Confident89.3Confident134 Ų13470 Ų7063%0.62634%0.341SS*.Hα-helixtrans-68.6-21.6177.3-63.2176.91.100113Y957 E958 K959 L963Y957-Q961 PolarHBondContact O-N 3.13Å; E958-Q961 WeakPolarHBondContact O-CB 3.33Å; E958-Q961 PolarHBondContact O-N 2.68Å; K959-Q961 VanDerWaalsContact C-N 3.25Å; K959-Q961 PolarHBondContact O-N 2.83Å; Q961-L963 VanDerWaalsContact C-N 3.27Å
962E88.3Confident89.2Confident136 Ų13667.5 Ų67.564%0.63634%0.337SS*.THydrogen-bonded Turntrans-80.2-7.5176.3-61.6175.6-171.400112.7K959 L960K959-E962 WeakPolarHBondContact CD-OE2 3.31Å; K959-E962 IonicContact NZ-OE1 3.74Å; K959-E962 PolarHBondContact NZ-OE1 3.17Å; K959-E962 IonicContact NZ-OE2 3.71Å; K959-E962 PolarHBondContact NZ-OE2 3.09Å; K959-E962 PolarHBondContact O-N 3.18Å; L960-E962 PolarHBondContact O-N 3.04Å
963L88.1Confident89.1Confident67 Ų6767.2 Ų67.235%0.35134%0.335SS..SBendtrans-115160.4-172.6-62.5177.9000112.5K933 V934 L937 L960 Q961 I965K933-L963 HydrophobicContact CB-CD1 4.11Å; V934-L963 HydrophobicContact CG2-CB 3.88Å; V934-L963 HydrophobicContact CG2-CD1 3.99Å; L937-L963 HydrophobicContact CD1-CD1 3.73Å; L960-L963 PolarHBondContact O-N 3.02Å; Q961-L963 VanDerWaalsContact C-N 3.27Å; L963-I965 PolarHBondContact O-N 3.11Å
964H87.6Confident88.9Confident177 Ų17772.9 Ų72.982%0.81936%0.362SS*.  trans-77107.6173.2-174.368.4000110.6
965I87.2Confident88.8Confident38 Ų3876.2 Ų76.220%0.19538%0.381CS..  trans-87.7129.6-175.6-58.9170.2000110.7L963 L969 V970 I973L963-I965 PolarHBondContact O-N 3.11Å; I965-L969 HydrophobicContact CG2-CB 4.09Å; I965-V970 HydrophobicContact CB-CG2 4.27Å; I965-V970 HydrophobicContact CG2-CG2 3.78Å; I965-I973 HydrophobicContact CD1-CD1 4.14Å; I965-I973 HydrophobicContact CD1-CG2 4.12Å; I965-I973 HydrophobicContact CG1-CD1 4.34Å; I965-I973 HydrophobicContact CG2-CD1 3.57Å
966P86.1Confident88.6Confident43 Ų4371.5 Ų71.528%0.27937%0.365SS..  trans-59.8139.6170.9-24.134.3000112.7H968 L969 V970P966-H968 VanDerWaalsContact CB-CE1 3.46Å; P966-H968 WeakPolarHBondContact CB-CE1 3.5Å; P966-H968 WeakPolarHBondContact CB-ND1 3.45Å; P966-H968 PolarHBondContact O-N 3.48Å; P966-L969 HydrophobicContact CG-CD1 4.41Å; P966-L969 PolarHBondContact O-N 3.48Å; P966-V970 PolarHBondContact O-N 3.15Å
967S84.8Confident88.4Confident113 Ų11372.3 Ų72.379%0.7937%0.371SS*.Hα-helixtrans-53-34.8-174.454.10000114.8L969S967-L969 VanDerWaalsContact C-N 3.29Å; S967-L969 PolarHBondContact O-N 3.38Å
968H86.8Confident88.2Confident128 Ų12877.7 Ų77.759%0.59340%0.4SS*.Hα-helixtrans-70.7-20.3179.171.5-81.7000114.1P966P966-H968 VanDerWaalsContact CB-CE1 3.46Å; P966-H968 WeakPolarHBondContact CB-CE1 3.5Å; P966-H968 WeakPolarHBondContact CB-ND1 3.45Å; P966-H968 PolarHBondContact O-N 3.48Å
969L86.8Confident88.1Confident10 Ų1079 Ų795%0.05241%0.408CS..Hα-helixtrans-99.2-13.9-179.9-61.1179.3000113.4V934 F938 I965 P966 S967 E971 S972 I973V934-L969 HydrophobicContact CG1-CD1 4.38Å; F938-L969 HydrophobicContact CD1-CD1 4.41Å; F938-L969 HydrophobicContact CD1-CD2 4.16Å; F938-L969 HydrophobicContact CE1-CD2 3.82Å; F938-L969 HydrophobicContact CZ-CD2 4.13Å; I965-L969 HydrophobicContact CG2-CB 4.09Å; P966-L969 HydrophobicContact CG-CD1 4.41Å; P966-L969 PolarHBondContact O-N 3.48Å; S967-L969 VanDerWaalsContact C-N 3.29Å; S967-L969 PolarHBondContact O-N 3.38Å; L969-E971 PolarHBondContact O-N 3.48Å; L969-S972 PolarHBondContact O-N 2.98Å; L969-I973 HydrophobicContact CB-CD1 3.85Å; L969-I973 WeakPolarHBondContact O-CB 3.39Å; L969-I973 VanDerWaalsContact O-CG1 3.31Å; L969-I973 WeakPolarHBondContact O-CG1 3.46Å; L969-I973 PolarHBondContact O-N 3.25Å
970V89.1Confident88.2Confident48 Ų4876.3 Ų76.329%0.29140%0.396SS..Hα-helixtrans-55.9-54.3-174.2175.50000111.3I965 P966 S972 I973 E974I965-V970 HydrophobicContact CB-CG2 4.27Å; I965-V970 HydrophobicContact CG2-CG2 3.78Å; P966-V970 PolarHBondContact O-N 3.15Å; V970-S972 VanDerWaalsContact C-N 3.34Å; V970-S972 PolarHBondContact O-N 3.01Å; V970-I973 PolarHBondContact O-N 3.36Å; V970-E974 HydrophobicContact CG1-CG 4.36Å; V970-E974 WeakPolarHBondContact O-CG 3.32Å; V970-E974 PolarHBondContact O-N 3.08Å
971E88.9Confident87.9Confident142 Ų14282.3 Ų82.366%0.66442%0.424SS*.Hα-helixtrans-60.4-43.2-178.2-173.7178.8-176.600111.7L969 I973 E974 L975L969-E971 PolarHBondContact O-N 3.48Å; E971-I973 VanDerWaalsContact C-N 3.33Å; E971-I973 PolarHBondContact O-N 3.25Å; E971-E974 PolarHBondContact O-N 3.04Å; E971-L975 HydrophobicContact CG-CD1 4.11Å; E971-L975 WeakPolarHBondContact O-CB 3.28Å; E971-L975 VanDerWaalsContact O-CG 3.26Å; E971-L975 WeakPolarHBondContact O-CG 3.47Å; E971-L975 PolarHBondContact O-N 3.45Å
972S88Confident88Confident53 Ų5380.4 Ų80.437%0.37143%0.425SS..Hα-helixtrans-67.1-34.2179.3-1730000112.7L969 V970 G976L969-S972 PolarHBondContact O-N 2.98Å; V970-S972 VanDerWaalsContact C-N 3.34Å; V970-S972 PolarHBondContact O-N 3.01Å; S972-G976 PolarHBondContact O-N 3.27Å
973I90.1Very high88Confident6 Ų678.4 Ų78.43%0.03141%0.414CS..Hα-helixtrans-73.7-42.9178-72.1166.6000110.4F938 Y957 L960 I965 L969 V970 E971 G976 S977F938-I973 HydrophobicContact CD2-CD1 4.01Å; F938-I973 HydrophobicContact CD2-CG1 3.5Å; F938-I973 HydrophobicContact CE2-CG1 3.84Å; F938-I973 HydrophobicContact CG-CG1 4.5Å; Y957-I973 HydrophobicContact CD1-CG2 4.22Å; L960-I973 HydrophobicContact CB-CG2 4.32Å; L960-I973 HydrophobicContact CD1-CD1 4.22Å; L960-I973 HydrophobicContact CD1-CG1 4.25Å; L960-I973 HydrophobicContact CD1-CG2 4.32Å; L960-I973 HydrophobicContact CD2-CD1 4.41Å; I965-I973 HydrophobicContact CD1-CD1 4.14Å; I965-I973 HydrophobicContact CD1-CG2 4.12Å; I965-I973 HydrophobicContact CG1-CD1 4.34Å; I965-I973 HydrophobicContact CG2-CD1 3.57Å; L969-I973 HydrophobicContact CB-CD1 3.85Å; L969-I973 WeakPolarHBondContact O-CB 3.39Å; L969-I973 VanDerWaalsContact O-CG1 3.31Å; L969-I973 WeakPolarHBondContact O-CG1 3.46Å; L969-I973 PolarHBondContact O-N 3.25Å; V970-I973 PolarHBondContact O-N 3.36Å; E971-I973 VanDerWaalsContact C-N 3.33Å; E971-I973 PolarHBondContact O-N 3.25Å; I973-G976 PolarHBondContact O-N 3.15Å; I973-S977 VanDerWaalsContact O-CB 3.27Å; I973-S977 WeakPolarHBondContact O-CB 3.34Å; I973-S977 PolarHBondContact O-N 2.78Å
974E88.5Confident88Confident120 Ų12077.9 Ų77.956%0.56142%0.415SS*.Hα-helixtrans-62.2-46.2176.7-73.3-178.7172.900111.5V970 E971 S977 L978V970-E974 HydrophobicContact CG1-CG 4.36Å; V970-E974 WeakPolarHBondContact O-CG 3.32Å; V970-E974 PolarHBondContact O-N 3.08Å; E971-E974 PolarHBondContact O-N 3.04Å; E974-S977 PolarHBondContact O-N 2.76Å; E974-L978 WeakPolarHBondContact O-CG 3.35Å; E974-L978 PolarHBondContact O-N 2.79Å
975L89.5Confident88Confident97 Ų9776.2 Ų76.251%0.50841%0.406SS..Hα-helixtrans-61.8-45175-71.4174.1000111.7E971 L978 M979E971-L975 HydrophobicContact CG-CD1 4.11Å; E971-L975 WeakPolarHBondContact O-CB 3.28Å; E971-L975 VanDerWaalsContact O-CG 3.26Å; E971-L975 WeakPolarHBondContact O-CG 3.47Å; E971-L975 PolarHBondContact O-N 3.45Å; L975-L978 PolarHBondContact O-N 2.9Å; L975-M979 WeakPolarHBondContact O-CB 3.4Å; L975-M979 VanDerWaalsContact O-CG 3.3Å; L975-M979 WeakPolarHBondContact O-CG 3.36Å; L975-M979 PolarHBondContact O-N 2.86Å
976G88Confident87.9Confident8 Ų879.8 Ų79.88%0.08242%0.421CS..Hα-helixtrans-61.5-43177.300000112.9S972 I973 M979 I980S972-G976 PolarHBondContact O-N 3.27Å; I973-G976 PolarHBondContact O-N 3.15Å; G976-M979 PolarHBondContact O-N 2.88Å; G976-I980 PolarHBondContact O-N 3.48Å
977S89.1Confident87.9Confident17 Ų1779.6 Ų79.612%0.11942%0.418CS..Hα-helixtrans-63.5-40.1176.8-177.60000111.9I973 E974 I980 H981I973-S977 VanDerWaalsContact O-CB 3.27Å; I973-S977 WeakPolarHBondContact O-CB 3.34Å; I973-S977 PolarHBondContact O-N 2.78Å; E974-S977 PolarHBondContact O-N 2.76Å; S977-I980 VanDerWaalsContact O-CG2 3.25Å; S977-I980 WeakPolarHBondContact O-CG2 3.36Å; S977-H981 PolarHBondContact O-CD2 3.09Å
978L89.1Confident87.8Confident126 Ų12676 Ų7666%0.6639%0.393SS*.Hα-helixtrans-67.3-44.3173.5-71.8170.8000112.1E974 L975 I980 H981E974-L978 WeakPolarHBondContact O-CG 3.35Å; E974-L978 PolarHBondContact O-N 2.79Å; L975-L978 PolarHBondContact O-N 2.9Å; L978-I980 PolarHBondContact O-N 3.06Å; L978-H981 PolarHBondContact O-N 3.07Å
979M88.1Confident87Confident135 Ų13577.5 Ų77.567%0.66540%0.4SS*.Hα-helixtrans-65.2-38.1-178.4-74-139.2-64.400112.6L975 G976 H981 S982L975-M979 WeakPolarHBondContact O-CB 3.4Å; L975-M979 VanDerWaalsContact O-CG 3.3Å; L975-M979 WeakPolarHBondContact O-CG 3.36Å; L975-M979 PolarHBondContact O-N 2.86Å; G976-M979 PolarHBondContact O-N 2.88Å; M979-H981 PolarHBondContact O-N 2.95Å; M979-S982 WeakPolarHBondContact O-CB 3.22Å; M979-S982 PolarHBondContact O-N 3.14Å; M979-S982 PolarHBondContact O-OG 3.22Å
980I90.6Very high86.2Confident4 Ų482.4 Ų82.42%0.02143%0.426CS..Hα-helixtrans-66.5-24.2-177.2-16561.1000112.5Y950 A953 R954 Y957 G976 S977 L978 S982 K983Y950-I980 HydrophobicContact CD1-CD1 3.71Å; Y950-I980 HydrophobicContact CG-CD1 4.3Å; A953-I980 HydrophobicContact CB-CD1 3.85Å; A953-I980 HydrophobicContact CB-CG1 4.15Å; R954-I980 HydrophobicContact CB-CG1 4.49Å; R954-I980 HydrophobicContact CG-CB 4.32Å; R954-I980 HydrophobicContact CG-CD1 4.48Å; R954-I980 HydrophobicContact CG-CG1 3.4Å; R954-I980 HydrophobicContact CG-CG2 3.95Å; R954-I980 PolarHBondContact NE-O 2.66Å; R954-I980 PolarHBondContact NH2-O 3.45Å; Y957-I980 HydrophobicContact CD2-CB 4.26Å; Y957-I980 HydrophobicContact CD2-CG2 3.88Å; Y957-I980 HydrophobicContact CE2-CB 4.44Å; Y957-I980 HydrophobicContact CE2-CG2 4.48Å; G976-I980 PolarHBondContact O-N 3.48Å; S977-I980 VanDerWaalsContact O-CG2 3.25Å; S977-I980 WeakPolarHBondContact O-CG2 3.36Å; L978-I980 PolarHBondContact O-N 3.06Å; I980-S982 PolarHBondContact O-N 3.22Å; I980-K983 HydrophobicContact CD1-CB 4.02Å; I980-K983 HydrophobicContact CD1-CG 4.03Å; I980-K983 PolarHBondContact O-N 3.07Å; I980-K983 VanDerWaalsContact O-N 3.15Å
981H86.3Confident85.1Confident126 Ų12681 Ų8158%0.58342%0.416SS*.THydrogen-bonded Turntrans-63-23.4173.5-74.1-66.1000113.3R954 S977 L978 M979 K983R954-H981 PolarHBondContact NH2-O 3.38Å; S977-H981 PolarHBondContact O-CD2 3.09Å; L978-H981 PolarHBondContact O-N 3.07Å; M979-H981 PolarHBondContact O-N 2.95Å; H981-K983 VanDerWaalsContact C-N 3.34Å
982S86.8Confident83.7Confident94 Ų9478.2 Ų78.266%0.65741%0.405SS*.THydrogen-bonded Turntrans-79.2-12.4176.6730000114.6M979 I980M979-S982 WeakPolarHBondContact O-CB 3.22Å; M979-S982 PolarHBondContact O-N 3.14Å; M979-S982 PolarHBondContact O-OG 3.22Å; I980-S982 PolarHBondContact O-N 3.22Å
983K88.9Confident82.2Confident94 Ų9482.5 Ų82.541%0.40942%0.419SS..SBendtrans-90.4163.4-175.4-60.6-61.5-176.2173.50112.2Y950 R954 I980 H981Y950-K983 HydrophobicContact CD1-CB 3.72Å; Y950-K983 HydrophobicContact CD1-CD 4.35Å; Y950-K983 HydrophobicContact CD1-CG 3.81Å; Y950-K983 HydrophobicContact CD2-CB 4.33Å; Y950-K983 HydrophobicContact CE1-CB 4.12Å; Y950-K983 HydrophobicContact CE1-CD 3.88Å; Y950-K983 HydrophobicContact CE1-CG 3.83Å; Y950-K983 HydrophobicContact CG-CB 3.81Å; Y950-K983 HydrophobicContact CG-CG 4.41Å; R954-K983 PolarHBondContact NH2-O 3.49Å; I980-K983 HydrophobicContact CD1-CB 4.02Å; I980-K983 HydrophobicContact CD1-CG 4.03Å; I980-K983 PolarHBondContact O-N 3.07Å; I980-K983 VanDerWaalsContact O-N 3.15Å; H981-K983 VanDerWaalsContact C-N 3.34Å
984P88.1Confident80.9Confident56 Ų5686.2 Ų86.236%0.36444%0.439SS..  trans-68.7154.5176.927.3-34.3000112.6Y950 R954 H986Y950-P984 WeakPolarHBondContact CB-O 3.47Å; Y950-P984 HydrophobicContact CD2-CG 3.8Å; Y950-P984 HydrophobicContact CE2-CG 4.1Å; R954-P984 PolarHBondContact NH1-O 3.34Å; P984-H986 VanDerWaalsContact C-N 3.25Å; P984-H986 WeakPolarHBondContact CB-NE2 3.41Å; P984-H986 PolarHBondContact O-N 3.29Å
985F87.5Confident80.1Confident142 Ų14281 Ų8162%0.62342%0.415SS*.SBendtrans-8953176.1-166.1-95.5000111.5K951 R954K951-F985 HydrophobicContact CD-CE1 4.33Å; K951-F985 HydrophobicContact CG-CE1 4.28Å; K951-F985 HydrophobicContact CG-CE2 4.37Å; K951-F985 HydrophobicContact CG-CZ 4.08Å; R954-F985 VanDerWaalsContact NH1-CD2 3.31Å
986H85.3Confident79.8Confident113 Ų11379.3 Ų79.352%0.52341%0.405SS..SBendtrans-149155.8169.665.779.8000108.7P984P984-H986 VanDerWaalsContact C-N 3.25Å; P984-H986 WeakPolarHBondContact CB-NE2 3.41Å; P984-H986 PolarHBondContact O-N 3.29Å
987D85.8Confident79.7Confident40 Ų4079.1 Ų79.121%0.21440%0.402CS..  trans-87.7161.3170.3-60.2-40.7000109.1A949 Y950 K951 L952A949-D987 WeakPolarHBondContact CA-OD1 3.4Å; A949-D987 HydrophobicContact CB-CB 4.35Å; Y950-D987 PolarHBondContact N-OD1 3.47Å; Y950-D987 VanDerWaalsContact N-OD1 3.08Å; K951-D987 WeakPolarHBondContact CA-OD1 3.38Å; K951-D987 VanDerWaalsContact CB-OD1 3.29Å; K951-D987 WeakPolarHBondContact CB-OD1 3.29Å; K951-D987 PolarHBondContact N-OD1 3.19Å; L952-D987 PolarHBondContact N-OD1 3.08Å; L952-D987 VanDerWaalsContact N-OD1 3.13Å
988S82.8Confident79.6Confident37 Ų3781.5 Ų81.526%0.25941%0.409SS..  trans-63.3146.8171.1-159.60000110.5G948 D990G948-S988 PolarHBondContact O-N 3.09Å; G948-S988 VanDerWaalsContact O-N 3.15Å; S988-D990 PolarHBondContact O-N 3.46Å; S988-D990 PolarHBondContact OG-OD2 3.17Å
989E70.2Confident79.3Confident160 Ų16076.1 Ų76.175%0.74838%0.38SS*.THydrogen-bonded Turntrans-67.5-24.4177.7-67.6-175169.100112.2F991 I992E989-F991 PolarHBondContact O-N 3.39Å; E989-I992 HydrophobicContact CG-CD1 4.48Å; E989-I992 WeakPolarHBondContact O-CB 3.31Å; E989-I992 PolarHBondContact O-N 3.25Å
990D69.7Low79.1Confident113 Ų11370.1 Ų70.160%0.60435%0.351SS*.Hα-helixtrans-57.4-33179-48.9-51.5000112.7S988 I992S988-D990 PolarHBondContact O-N 3.46Å; S988-D990 PolarHBondContact OG-OD2 3.17Å; D990-I992 VanDerWaalsContact C-N 3.3Å; D990-I992 PolarHBondContact O-N 3.05Å
991F66.3Low78.8Confident17 Ų1773.9 Ų73.98%0.07538%0.378CS..Hα-helixtrans-79.2-10.4-179.6-56.9-66.7000114.3F913 L947 A949 E989 E993 L1006F913-F991 HydrophobicContact CE1-CD1 4.15Å; F913-F991 HydrophobicContact CZ-CD1 4.47Å; L947-F991 HydrophobicContact CB-CE1 4.17Å; L947-F991 HydrophobicContact CB-CE2 4.36Å; L947-F991 HydrophobicContact CB-CZ 3.59Å; L947-F991 HydrophobicContact CD1-CE1 4.49Å; L947-F991 WeakPolarHBondContact O-CE2 3.3Å; L947-F991 WeakPolarHBondContact O-CZ 3.36Å; A949-F991 HydrophobicContact CB-CD2 4.21Å; A949-F991 HydrophobicContact CB-CE2 4.29Å; E989-F991 PolarHBondContact O-N 3.39Å; F991-E993 VanDerWaalsContact C-N 3.32Å; F991-L1006 HydrophobicContact CB-CD2 4.07Å
992I58.9Low78.8Confident85 Ų8569.7 Ų69.744%0.43636%0.361SS..Hα-helixtrans-75.7-29179.8-60177.6000109.8E989 D990 N1003E989-I992 HydrophobicContact CG-CD1 4.48Å; E989-I992 WeakPolarHBondContact O-CB 3.31Å; E989-I992 PolarHBondContact O-N 3.25Å; D990-I992 VanDerWaalsContact C-N 3.3Å; D990-I992 PolarHBondContact O-N 3.05Å; I992-N1003 HydrophobicContact CG2-CB 3.97Å; I992-N1003 WeakPolarHBondContact CG2-ND2 3.49Å; I992-N1003 PolarHBondContact O-OD1 3.14Å
993E57.3Low78.6Confident143 Ų14368.9 Ų68.967%0.66835%0.35SS*.Hα-helixtrans-77.1-36177.4-63.3-172.2169.200112.3F991 M995 M996F991-E993 VanDerWaalsContact C-N 3.32Å; E993-M995 PolarHBondContact O-N 3.31Å; E993-M996 WeakPolarHBondContact O-CB 3.3Å; E993-M996 PolarHBondContact O-N 3.21Å
994D62.1Low78.5Confident84 Ų8465 Ų6545%0.44933%0.333SS..THydrogen-bonded Turntrans-65.3-8.9179.3-69.3-21.6000115
995M72.3Confident78.3Confident11 Ų1165.2 Ų65.25%0.05434%0.335CS..THydrogen-bonded Turntrans-121.925.3179.8-75.5-70.8141.600112.9R917 E993 C997 N1004 L1006 V1030R917-M995 VanDerWaalsContact CZ-CE 3.46Å; R917-M995 PolarHBondContact NH2-SD 3.4Å; E993-M995 PolarHBondContact O-N 3.31Å; M995-C997 PolarHBondContact O-N 2.92Å; M995-N1004 HydrophobicContact CB-CB 4.26Å; M995-N1004 WeakPolarHBondContact CB-O 3.28Å; M995-N1004 WeakPolarHBondContact O-CB 3.5Å; M995-N1004 PolarHBondContact O-N 2.52Å; M995-N1004 PolarHBondContact O-ND2 3.08Å; M995-L1006 HydrophobicContact CG-CD2 4.28Å; M995-V1030 HydrophobicContact CE-CG2 3.92Å; M995-V1030 HydrophobicContact SD-CG2 4.35Å
996M83Confident78.2Confident61 Ų6159.5 Ų59.530%0.331%0.311SS..BIsolated β-bridgetrans-69.7127.1169.6-168.3-171.2-5700110E993 Y998E993-M996 WeakPolarHBondContact O-CB 3.3Å; E993-M996 PolarHBondContact O-N 3.21Å; M996-Y998 PolarHBondContact O-N 2.94Å
997C86.4Confident78.3Confident3 Ų356.1 Ų56.12%0.0230%0.296CS..  trans-75.4108.6167.9176.10000109.5M995 R999 C1000 S1001 T1002 C1014 F1021M995-C997 PolarHBondContact O-N 2.92Å; C997-R999 PolarHBondContact O-N 3.01Å; C997-C1000 PolarHBondContact O-N 2.9Å; C997-S1001 VanDerWaalsContact O-CA 3.26Å; C997-S1001 WeakPolarHBondContact O-CA 3.22Å; C997-S1001 PolarHBondContact O-N 3.27Å; C997-T1002 PolarHBondContact N-O 3.45Å; C997-C1014 HydrophobicContact CB-CB 3.96Å; C997-C1014 VanDerWaalsContact CB-SG 3.5Å; C997-C1014 VanDerWaalsContact SG-SG 3.62Å; C997-F1021 HydrophobicContact CB-CE1 4.14Å
998Y85.9Confident78.2Confident67 Ų6754.8 Ų54.826%0.26329%0.289SS..THydrogen-bonded Turntrans-58.2-15.7-179.4-66.2-79.3000115.1M996 V1030 L1031 P1032 L1139 L1140M996-Y998 PolarHBondContact O-N 2.94Å; Y998-V1030 HydrophobicContact CD2-CG1 4.05Å; Y998-V1030 HydrophobicContact CE2-CB 4.38Å; Y998-V1030 HydrophobicContact CE2-CG1 3.98Å; Y998-V1030 WeakPolarHBondContact CE2-O 3.16Å; Y998-L1031 WeakPolarHBondContact CD2-O 3.45Å; Y998-P1032 HydrophobicContact CD1-CB 3.73Å; Y998-P1032 VanDerWaalsContact CD2-CA 3.49Å; Y998-P1032 HydrophobicContact CD2-CB 4.24Å; Y998-P1032 HydrophobicContact CE1-CB 3.65Å; Y998-P1032 HydrophobicContact CE2-CB 4.14Å; Y998-P1032 HydrophobicContact CG-CB 4.02Å; Y998-L1139 WeakPolarHBondContact O-CD1 3.41Å; Y998-L1140 HydrophobicContact CE1-CD1 3.91Å
999R83.9Confident77.9Confident13 Ų1357.9 Ų57.95%0.04931%0.311CS..THydrogen-bonded Turntrans-81.1-39.8173.8-179.5175.7173.5179.4-0.5114.1C997 Q1019 V1034 E1098 V1105C997-R999 PolarHBondContact O-N 3.01Å; R999-Q1019 HydrophobicContact CB-CG 4.47Å; R999-V1034 HydrophobicContact CB-CG2 4.09Å; R999-E1098 IonicContact NH2-OE2 3.5Å; R999-E1098 PolarHBondContact NH2-OE2 3.28Å; R999-V1105 VanDerWaalsContact CZ-O 3.22Å; R999-V1105 PolarHBondContact NH1-O 3.46Å; R999-V1105 PolarHBondContact NH2-O 3.12Å
1000C83.4Confident78.2Confident9 Ų954.6 Ų54.66%0.06130%0.295CS..THydrogen-bonded Turntrans-1278.1-171.366.10000113.7C997 T1002 C1017 Q1099C997-C1000 PolarHBondContact O-N 2.9Å; C1000-T1002 PolarHBondContact O-N 3.15Å; C1000-T1002 PolarHBondContact O-OG1 3.46Å; C1000-T1002 PolarHBondContact SG-OG1 3.48Å; C1000-C1017 HydrophobicContact CB-CB 4.25Å; C1000-Q1099 HydrophobicContact CB-CG 4.41Å
1001S84.4Confident78.8Confident84 Ų8449.8 Ų49.859%0.58727%0.273SS*.  trans49.720.8-178-49.70000114.6C997C997-S1001 VanDerWaalsContact O-CA 3.26Å; C997-S1001 WeakPolarHBondContact O-CA 3.22Å; C997-S1001 PolarHBondContact O-N 3.27Å
1002T84.9Confident79.8Confident37 Ų3749.7 Ų49.723%0.22727%0.274CS..PPolyproline II helixtrans-82.9131.1179.2-56.20000109.3C997 C1000 N1004 N1016C997-T1002 PolarHBondContact N-O 3.45Å; C1000-T1002 PolarHBondContact O-N 3.15Å; C1000-T1002 PolarHBondContact O-OG1 3.46Å; C1000-T1002 PolarHBondContact SG-OG1 3.48Å; T1002-N1004 PolarHBondContact O-ND2 2.83Å; T1002-N1016 HydrophobicContact CG2-CB 3.97Å; T1002-N1016 PolarHBondContact OG1-ND2 3.5Å
1003N84.6Confident81.2Confident77 Ų7747 Ų4741%0.41226%0.262SS..BIsolated β-bridgetrans-77.7126.6173.9-63.2-22.3000110.2I992I992-N1003 HydrophobicContact CG2-CB 3.97Å; I992-N1003 WeakPolarHBondContact CG2-ND2 3.49Å; I992-N1003 PolarHBondContact O-OD1 3.14Å
1004N84.8Confident82.6Confident12 Ų1240.2 Ų40.26%0.06423%0.23CC..PPolyproline II helixtrans-97.9149.8-176.1-69.5-95.7000111.3M995 T1002 C1014 I1015 F1021M995-N1004 HydrophobicContact CB-CB 4.26Å; M995-N1004 WeakPolarHBondContact CB-O 3.28Å; M995-N1004 WeakPolarHBondContact O-CB 3.5Å; M995-N1004 PolarHBondContact O-N 2.52Å; M995-N1004 PolarHBondContact O-ND2 3.08Å; T1002-N1004 PolarHBondContact O-ND2 2.83Å; N1004-C1014 VanDerWaalsContact OD1-CA 3.27Å; N1004-C1014 WeakPolarHBondContact OD1-CA 3.45Å; N1004-I1015 WeakPolarHBondContact OD1-CG1 3.49Å; N1004-I1015 PolarHBondContact OD1-N 3.19Å; N1004-F1021 HydrophobicContact CB-CZ 4.13Å
1005P85.4Confident83.7Confident61 Ų6139.7 Ų39.740%0.39623%0.226SC..PPolyproline II helixtrans-62.6148.117428.2-35.5000110.7L1007 I1015P1005-L1007 PolarHBondContact O-N 2.87Å; P1005-I1015 HydrophobicContact CG-CG2 4.05Å
1006L85.4Confident84.3Confident23 Ų2341.7 Ų41.712%0.1224%0.237CC..SBendtrans-60.3-31-176.1-64.6174.4000113.5F913 R917 L952 F991 M995F913-L1006 HydrophobicContact CZ-CD1 4.48Å; R917-L1006 PolarHBondContact NE-O 2.87Å; R917-L1006 VanDerWaalsContact NH2-CA 3.33Å; R917-L1006 PolarHBondContact NH2-O 2.81Å; L952-L1006 HydrophobicContact CB-CD1 4.28Å; L952-L1006 HydrophobicContact CD2-CB 3.94Å; L952-L1006 HydrophobicContact CD2-CD1 3.87Å; F991-L1006 HydrophobicContact CB-CD2 4.07Å; M995-L1006 HydrophobicContact CG-CD2 4.28Å
1007L86.1Confident84.4Confident41 Ų4139.2 Ų39.222%0.21523%0.226CC..SBendtrans-122.7133168.8-67178.2000109.6R917 L920 N921 L940 L952 Y955 P1005R917-L1007 HydrophobicContact CB-CD2 4.38Å; R917-L1007 HydrophobicContact CG-CD2 4.27Å; L920-L1007 HydrophobicContact CB-CD2 4.06Å; L920-L1007 HydrophobicContact CD1-CD2 4.39Å; N921-L1007 WeakPolarHBondContact OD1-CA 3.38Å; L940-L1007 HydrophobicContact CD2-CD1 4.44Å; L952-L1007 HydrophobicContact CD1-CD1 3.55Å; L952-L1007 HydrophobicContact CD1-CG 3.84Å; Y955-L1007 HydrophobicContact CD1-CD1 3.93Å; Y955-L1007 HydrophobicContact CE1-CD1 3.63Å; P1005-L1007 PolarHBondContact O-N 2.87Å
1008N83.7Confident84.3Confident12 Ų1242.5 Ų42.56%0.06424%0.238CC..  trans-121.8119-178.7-174.11.3000110.9N921 Q1010 G1011 V1013 I1015N921-N1008 PolarHBondContact OD1-N 3.29Å; N1008-Q1010 PolarHBondContact O-N 2.98Å; N1008-Q1010 WeakPolarHBondContact OD1-CB 3.39Å; N1008-Q1010 PolarHBondContact OD1-N 2.78Å; N1008-G1011 PolarHBondContact ND2-O 2.76Å; N1008-G1011 PolarHBondContact O-N 3.32Å; N1008-V1013 PolarHBondContact ND2-O 2.8Å; N1008-I1015 WeakPolarHBondContact ND2-CG2 3.38Å
1009S77.2Confident84.3Confident102 Ų10239.7 Ų39.771%0.71323%0.227SC*.THydrogen-bonded Turntrans-68-14.1177.262.10000113.7G1011S1009-G1011 VanDerWaalsContact C-N 3.33Å
1010Q77.5Confident84.5Confident91 Ų9141.7 Ų41.743%0.42524%0.242SC..THydrogen-bonded Turntrans-90.43.5178.8-58.9178-13.400113N1008 V1013 R1018N1008-Q1010 PolarHBondContact O-N 2.98Å; N1008-Q1010 WeakPolarHBondContact OD1-CB 3.39Å; N1008-Q1010 PolarHBondContact OD1-N 2.78Å; Q1010-V1013 HydrophobicContact CB-CG2 4.33Å; Q1010-R1018 VanDerWaalsContact CD-CZ 3.48Å; Q1010-R1018 VanDerWaalsContact CD-NH1 3.26Å; Q1010-R1018 VanDerWaalsContact CD-NH2 3.31Å; Q1010-R1018 VanDerWaalsContact OE1-NH2 3.1Å
1011G81.7Confident84.8Confident12 Ų1242.4 Ų42.412%0.12424%0.244CC..  trans96.6-168.8-178.600000113.5N921 N1008 S1009 V1013N921-G1011 WeakPolarHBondContact O-CA 3.29Å; N1008-G1011 PolarHBondContact ND2-O 2.76Å; N1008-G1011 PolarHBondContact O-N 3.32Å; S1009-G1011 VanDerWaalsContact C-N 3.33Å; G1011-V1013 PolarHBondContact O-N 2.79Å
1012S86.2Confident85Confident15 Ų1539.7 Ų39.711%0.10522%0.223CC..SBendtrans-77.555.3178.8-72.10000112.9N922 F1021 Y1023N922-S1012 PolarHBondContact ND2-OG 2.98Å; N922-S1012 VanDerWaalsContact ND2-OG 3.09Å; S1012-F1021 PolarHBondContact O-N 3.15Å; S1012-Y1023 WeakPolarHBondContact CB-OH 3.35Å; S1012-Y1023 PolarHBondContact OG-OH 3.18Å
1013V88.5Confident85.3Confident30 Ų3039.2 Ų39.218%0.18222%0.217CC..BIsolated β-bridgetrans-132.4154.6179.5-60.20000110.7N1008 Q1010 G1011 Q1019 F1021N1008-V1013 PolarHBondContact ND2-O 2.8Å; Q1010-V1013 HydrophobicContact CB-CG2 4.33Å; G1011-V1013 PolarHBondContact O-N 2.79Å; V1013-Q1019 CarbonylContact C-O 3.58Å; V1013-Q1019 WeakPolarHBondContact CA-O 3.18Å; V1013-F1021 VanDerWaalsContact C-CE2 3.49Å; V1013-F1021 WeakPolarHBondContact O-CE2 3.43Å
1014C87.3Confident85.7Confident0 Ų035.5 Ų35.50%020%0.197CC..  trans-65.3134173.2175.70000111.5C997 N1004 N1016 C1017 R1018 Q1019 F1021C997-C1014 HydrophobicContact CB-CB 3.96Å; C997-C1014 VanDerWaalsContact CB-SG 3.5Å; C997-C1014 VanDerWaalsContact SG-SG 3.62Å; N1004-C1014 VanDerWaalsContact OD1-CA 3.27Å; N1004-C1014 WeakPolarHBondContact OD1-CA 3.45Å; C1014-N1016 VanDerWaalsContact C-N 3.26Å; C1014-N1016 PolarHBondContact O-N 2.79Å; C1014-N1016 PolarHBondContact SG-N 3.26Å; C1014-N1016 VanDerWaalsContact SG-N 3.43Å; C1014-C1017 VanDerWaalsContact SG-SG 3.65Å; C1014-R1018 WeakPolarHBondContact O-CA 3.23Å; C1014-R1018 PolarHBondContact O-N 2.61Å; C1014-Q1019 HydrophobicContact CB-CB 4.41Å; C1014-Q1019 PolarHBondContact N-O 2.8Å; C1014-F1021 HydrophobicContact CB-CE1 4.17Å; C1014-F1021 HydrophobicContact CB-CZ 4.01Å
1015I85.9Confident85.9Confident72 Ų7235 Ų3537%0.36920%0.195SC..THydrogen-bonded Turntrans-65-29.2179.760.8163.3000113.1N1004 P1005 N1008N1004-I1015 WeakPolarHBondContact OD1-CG1 3.49Å; N1004-I1015 PolarHBondContact OD1-N 3.19Å; P1005-I1015 HydrophobicContact CG-CG2 4.05Å; N1008-I1015 WeakPolarHBondContact ND2-CG2 3.38Å
1016N85Confident86.1Confident54 Ų5433.1 Ų33.129%0.28918%0.183SC..THydrogen-bonded Turntrans-88.5-66.7-178.7-17324.2000112.3T1002 C1014T1002-N1016 HydrophobicContact CG2-CB 3.97Å; T1002-N1016 PolarHBondContact OG1-ND2 3.5Å; C1014-N1016 VanDerWaalsContact C-N 3.26Å; C1014-N1016 PolarHBondContact O-N 2.79Å; C1014-N1016 PolarHBondContact SG-N 3.26Å; C1014-N1016 VanDerWaalsContact SG-N 3.43Å
1017C83.4Confident86.2Confident9 Ų932.3 Ų32.36%0.06118%0.179CC..THydrogen-bonded Turntrans-92.80.9-174.269.40000115.6C1000 C1014 Q1019C1000-C1017 HydrophobicContact CB-CB 4.25Å; C1014-C1017 VanDerWaalsContact SG-SG 3.65Å; C1017-Q1019 PolarHBondContact O-N 3.19Å; C1017-Q1019 WeakPolarHBondContact SG-CB 3.5Å
1018R85.3Confident86.5Confident71 Ų7130.5 Ų30.527%0.26817%0.169SC..  trans57.213.6-177.3-57.6-62.1-172.2142.5-1.7115.5Q1010 C1014 P1020 F1104Q1010-R1018 VanDerWaalsContact CD-CZ 3.48Å; Q1010-R1018 VanDerWaalsContact CD-NH1 3.26Å; Q1010-R1018 VanDerWaalsContact CD-NH2 3.31Å; Q1010-R1018 VanDerWaalsContact OE1-NH2 3.1Å; C1014-R1018 WeakPolarHBondContact O-CA 3.23Å; C1014-R1018 PolarHBondContact O-N 2.61Å; R1018-P1020 WeakPolarHBondContact O-CD 3.39Å; R1018-F1104 HydrophobicContact CB-CB 3.92Å; R1018-F1104 WeakPolarHBondContact O-CD2 3.16Å
1019Q86.3Confident86.7Confident8 Ų833.2 Ų33.24%0.03718%0.182CC..PPolyproline II helixtrans-58.3125.6172.6178.6664300109.6R999 V1013 C1014 C1017 F1021 F1104R999-Q1019 HydrophobicContact CB-CG 4.47Å; V1013-Q1019 CarbonylContact C-O 3.58Å; V1013-Q1019 WeakPolarHBondContact CA-O 3.18Å; C1014-Q1019 HydrophobicContact CB-CB 4.41Å; C1014-Q1019 PolarHBondContact N-O 2.8Å; C1017-Q1019 PolarHBondContact O-N 3.19Å; C1017-Q1019 WeakPolarHBondContact SG-CB 3.5Å; Q1019-F1021 PolarHBondContact O-N 2.82Å; Q1019-F1104 HydrophobicContact CB-CE2 4.49Å
1020P87.1Confident87.3Confident55 Ų5529 Ų2936%0.35715%0.151SC..BIsolated β-bridgetrans-61.6131.8169-21.833.5000110.6R1018R1018-P1020 WeakPolarHBondContact O-CD 3.39Å
1021F89.3Confident87.9Confident25 Ų2524.7 Ų24.711%0.1113%0.131CC..PPolyproline II helixtrans-71.4137.1173.7-67-52000110.1C997 N1004 S1012 V1013 C1014 Q1019 Y1023 V1030C997-F1021 HydrophobicContact CB-CE1 4.14Å; N1004-F1021 HydrophobicContact CB-CZ 4.13Å; S1012-F1021 PolarHBondContact O-N 3.15Å; V1013-F1021 VanDerWaalsContact C-CE2 3.49Å; V1013-F1021 WeakPolarHBondContact O-CE2 3.43Å; C1014-F1021 HydrophobicContact CB-CE1 4.17Å; C1014-F1021 HydrophobicContact CB-CZ 4.01Å; Q1019-F1021 PolarHBondContact O-N 2.82Å; F1021-Y1023 HydrophobicContact CB-CD2 4.34Å; F1021-Y1023 HydrophobicContact CB-CE1 4.13Å; F1021-Y1023 HydrophobicContact CB-CE2 3.62Å; F1021-V1030 HydrophobicContact CB-CG1 4.27Å; F1021-V1030 HydrophobicContact CB-CG2 4.23Å; F1021-V1030 HydrophobicContact CD1-CG1 3.73Å; F1021-V1030 HydrophobicContact CD1-CG2 4.17Å; F1021-V1030 HydrophobicContact CE1-CG1 4.49Å; F1021-V1030 HydrophobicContact CG-CG1 4.29Å; F1021-V1030 HydrophobicContact CG-CG2 4.14Å
1022I89.9Confident88.3Confident27 Ų2724.2 Ų24.214%0.13813%0.126CC..  trans-104.1120.2175.9-61.9161000105.9L1031 L1033 F1136 M1154I1022-L1031 HydrophobicContact CG2-CD1 4.4Å; I1022-L1031 PolarHBondContact O-N 3.24Å; I1022-L1033 HydrophobicContact CB-CB 4.42Å; I1022-L1033 HydrophobicContact CD1-CB 3.72Å; I1022-L1033 HydrophobicContact CG2-CB 4.36Å; I1022-L1033 HydrophobicContact CG2-CD1 3.91Å; I1022-F1136 HydrophobicContact CD1-CD1 3.45Å; I1022-F1136 VanDerWaalsContact CD1-CD1 3.45Å; I1022-F1136 HydrophobicContact CD1-CE1 3.56Å; I1022-F1136 HydrophobicContact CG1-CE1 4.3Å; I1022-M1154 HydrophobicContact CG2-SD 3.59Å; I1022-M1154 VanDerWaalsContact CG2-SD 3.59Å
1023Y91.2Very high88.5Confident26 Ų2623.9 Ų23.910%0.10212%0.123CC..BIsolated β-bridgetrans-104149.2-173.9-61.7-83.1000111.6F918 S1012 F1021 Y1028 E1029 V1030F918-Y1023 AromaticContact CD2-CD2 3.67Å; F918-Y1023 HydrophobicContact CD2-CD2 3.67Å; F918-Y1023 HydrophobicContact CD2-CE1 4.3Å; F918-Y1023 AromaticContact CD2-CE2 3.42Å; F918-Y1023 HydrophobicContact CD2-CE2 3.42Å; F918-Y1023 VanDerWaalsContact CD2-CE2 3.42Å; F918-Y1023 HydrophobicContact CD2-CG 4.2Å; F918-Y1023 AromaticContact CD2-CZ 3.74Å; F918-Y1023 AromaticContact CE2-CD2 3.63Å; F918-Y1023 HydrophobicContact CE2-CD2 3.63Å; F918-Y1023 AromaticContact CE2-CE2 3.55Å; F918-Y1023 HydrophobicContact CE2-CE2 3.55Å; F918-Y1023 HydrophobicContact CE2-CG 4.47Å; S1012-Y1023 WeakPolarHBondContact CB-OH 3.35Å; S1012-Y1023 PolarHBondContact OG-OH 3.18Å; F1021-Y1023 HydrophobicContact CB-CD2 4.34Å; F1021-Y1023 HydrophobicContact CB-CE1 4.13Å; F1021-Y1023 HydrophobicContact CB-CE2 3.62Å; Y1023-Y1028 VanDerWaalsContact CD1-O 3.24Å; Y1023-Y1028 WeakPolarHBondContact CD1-O 3.37Å; Y1023-Y1028 HydrophobicContact CG-CD1 4.38Å; Y1023-E1029 CarbonylContact C-O 3.58Å; Y1023-E1029 VanDerWaalsContact CA-O 3.28Å; Y1023-E1029 WeakPolarHBondContact CA-O 3.44Å; Y1023-V1030 HydrophobicContact CD1-CG2 4.14Å; Y1023-V1030 HydrophobicContact CE1-CG2 3.75Å
1024S92Very high88.6Confident0 Ų022.5 Ų22.50%012%0.115CC..  trans-68.4126.6162.9-176.50000109.2S1026 S1027 Y1028 E1029 H1156S1024-S1026 PolarHBondContact O-N 2.87Å; S1024-S1026 PolarHBondContact OG-OG 2.91Å; S1024-S1027 WeakPolarHBondContact CB-OG 3.47Å; S1024-Y1028 WeakPolarHBondContact O-CA 3.44Å; S1024-Y1028 PolarHBondContact O-N 3.11Å; S1024-E1029 PolarHBondContact N-O 3.03Å; S1024-H1156 PolarHBondContact OG-N 2.8Å
1025A90Very high88.7Confident2 Ų223.9 Ų23.92%0.01712%0.122CC..THydrogen-bonded Turntrans-74.4-1.4-179.700000113.9Y891 K1153 M1154 F1155Y891-A1025 WeakPolarHBondContact CE1-O 3.38Å; Y891-A1025 PolarHBondContact OH-O 3.39Å; A1025-K1153 HydrophobicContact CB-CB 4Å; A1025-M1154 PolarHBondContact N-O 2.9Å; A1025-F1155 HydrophobicContact CB-CD1 3.89Å; A1025-F1155 HydrophobicContact CB-CE1 3.37Å; A1025-F1155 HydrophobicContact CB-CE2 4.18Å; A1025-F1155 HydrophobicContact CB-CG 4.48Å; A1025-F1155 HydrophobicContact CB-CZ 3.54Å
1026S88.8Confident88.9Confident20 Ų2020.6 Ų20.614%0.1410%0.104CC..THydrogen-bonded Turntrans-93.2-63.4169.1540000111.9S1024 D1159S1024-S1026 PolarHBondContact O-N 2.87Å; S1024-S1026 PolarHBondContact OG-OG 2.91Å; S1026-D1159 WeakPolarHBondContact OG-CB 3.37Å; S1026-D1159 PolarHBondContact OG-OD2 3.45Å
1027S88.6Confident89.1Confident7 Ų721.8 Ų21.85%0.04911%0.106CC..THydrogen-bonded Turntrans-90.7-19.7-172.261.10000114.2S914 S1024 E1029S914-S1027 VanDerWaalsContact CB-O 3.32Å; S914-S1027 WeakPolarHBondContact CB-O 3.25Å; S1024-S1027 WeakPolarHBondContact CB-OG 3.47Å; S1027-E1029 PolarHBondContact O-N 3.4Å; S1027-E1029 PolarHBondContact OG-N 2.89Å
1028Y90.8Very high89.4Confident2 Ų223.1 Ų23.11%0.00811%0.112CC..  trans56.925.9-169.5-82.4-102.2000114.6E888 Y891 V892 L915 F918 Y1023 S1024E888-Y1028 HydrophobicContact CG-CE1 4.49Å; Y891-Y1028 HydrophobicContact CD1-CE2 4.29Å; Y891-Y1028 HydrophobicContact CE1-CE2 4.11Å; V892-Y1028 HydrophobicContact CG2-CD1 4.07Å; V892-Y1028 HydrophobicContact CG2-CD2 4.43Å; V892-Y1028 HydrophobicContact CG2-CE1 3.34Å; V892-Y1028 HydrophobicContact CG2-CE2 3.74Å; V892-Y1028 WeakPolarHBondContact CG2-OH 3.07Å; L915-Y1028 HydrophobicContact CD2-CD1 4.41Å; L915-Y1028 HydrophobicContact CD2-CD2 3.2Å; L915-Y1028 HydrophobicContact CD2-CE2 3.63Å; L915-Y1028 HydrophobicContact CD2-CG 3.64Å; L915-Y1028 HydrophobicContact CG-CD2 4.22Å; L915-Y1028 HydrophobicContact CG-CG 4.44Å; F918-Y1028 HydrophobicContact CB-CD1 3.95Å; F918-Y1028 AromaticContact CD1-CD1 3.92Å; F918-Y1028 HydrophobicContact CD1-CD1 3.92Å; F918-Y1028 AromaticContact CD1-CE1 3.74Å; F918-Y1028 HydrophobicContact CD1-CE1 3.74Å; F918-Y1028 AromaticContact CD2-CD1 3.94Å; F918-Y1028 HydrophobicContact CD2-CD1 3.94Å; F918-Y1028 HydrophobicContact CD2-CE1 4.15Å; F918-Y1028 HydrophobicContact CE1-CD1 4.42Å; F918-Y1028 AromaticContact CE1-CE1 3.82Å; F918-Y1028 HydrophobicContact CE1-CE1 3.82Å; F918-Y1028 HydrophobicContact CE2-CD1 4.43Å; F918-Y1028 HydrophobicContact CE2-CE1 4.22Å; F918-Y1028 AromaticContact CG-CD1 3.65Å; F918-Y1028 HydrophobicContact CG-CD1 3.65Å; F918-Y1028 AromaticContact CG-CE1 3.91Å; F918-Y1028 HydrophobicContact CG-CE1 3.91Å; F918-Y1028 HydrophobicContact CZ-CE1 4.07Å; Y1023-Y1028 VanDerWaalsContact CD1-O 3.24Å; Y1023-Y1028 WeakPolarHBondContact CD1-O 3.37Å; Y1023-Y1028 HydrophobicContact CG-CD1 4.38Å; S1024-Y1028 WeakPolarHBondContact O-CA 3.44Å; S1024-Y1028 PolarHBondContact O-N 3.11Å
1029E89.2Confident89.2Confident70 Ų7020.5 Ų20.533%0.32711%0.107SC..PPolyproline II helixtrans-76.5152.7164.8-70.9164-170.900110.7Y1023 S1024 S1027 L1031Y1023-E1029 CarbonylContact C-O 3.58Å; Y1023-E1029 VanDerWaalsContact CA-O 3.28Å; Y1023-E1029 WeakPolarHBondContact CA-O 3.44Å; S1024-E1029 PolarHBondContact N-O 3.03Å; S1027-E1029 PolarHBondContact O-N 3.4Å; S1027-E1029 PolarHBondContact OG-N 2.89Å; E1029-L1031 PolarHBondContact O-N 2.85Å
1030V89.2Confident88.8Confident12 Ų1228.3 Ų28.37%0.07314%0.143CC..BIsolated β-bridgetrans-73.6121.3177.6-1770000108.3M995 Y998 F1021 Y1023M995-V1030 HydrophobicContact CE-CG2 3.92Å; M995-V1030 HydrophobicContact SD-CG2 4.35Å; Y998-V1030 HydrophobicContact CD2-CG1 4.05Å; Y998-V1030 HydrophobicContact CE2-CB 4.38Å; Y998-V1030 HydrophobicContact CE2-CG1 3.98Å; Y998-V1030 WeakPolarHBondContact CE2-O 3.16Å; F1021-V1030 HydrophobicContact CB-CG1 4.27Å; F1021-V1030 HydrophobicContact CB-CG2 4.23Å; F1021-V1030 HydrophobicContact CD1-CG1 3.73Å; F1021-V1030 HydrophobicContact CD1-CG2 4.17Å; F1021-V1030 HydrophobicContact CE1-CG1 4.49Å; F1021-V1030 HydrophobicContact CG-CG1 4.29Å; F1021-V1030 HydrophobicContact CG-CG2 4.14Å; Y1023-V1030 HydrophobicContact CD1-CG2 4.14Å; Y1023-V1030 HydrophobicContact CE1-CG2 3.75Å
1031L90.7Very high88.4Confident1 Ų129 Ų291%0.00516%0.16CC..PPolyproline II helixtrans-78.1148.1177-68175.3000110.9Y998 I1022 E1029 L1033 I1145 M1154 H1156Y998-L1031 WeakPolarHBondContact CD2-O 3.45Å; I1022-L1031 HydrophobicContact CG2-CD1 4.4Å; I1022-L1031 PolarHBondContact O-N 3.24Å; E1029-L1031 PolarHBondContact O-N 2.85Å; L1031-L1033 HydrophobicContact CB-CD1 4.09Å; L1031-L1033 HydrophobicContact CB-CG 4.07Å; L1031-L1033 HydrophobicContact CD1-CD1 4.04Å; L1031-L1033 PolarHBondContact O-N 2.77Å; L1031-I1145 HydrophobicContact CB-CD1 4.27Å; L1031-I1145 HydrophobicContact CD1-CG2 4.14Å; L1031-I1145 HydrophobicContact CD2-CD1 4.16Å; L1031-I1145 HydrophobicContact CD2-CG1 4.26Å; L1031-M1154 HydrophobicContact CD1-CB 3.73Å; L1031-H1156 VanDerWaalsContact CD2-CE1 3.49Å; L1031-H1156 WeakPolarHBondContact CD2-CE1 3.49Å; L1031-H1156 WeakPolarHBondContact CD2-NE2 3.41Å
1032P90.6Very high88.2Confident3 Ų328.8 Ų28.82%0.01916%0.16CC..SBendtrans-72.947.1175.532.2-37.7000113.3Y998 S1138 L1139 L1140 V1143 I1145Y998-P1032 HydrophobicContact CD1-CB 3.73Å; Y998-P1032 VanDerWaalsContact CD2-CA 3.49Å; Y998-P1032 HydrophobicContact CD2-CB 4.24Å; Y998-P1032 HydrophobicContact CE1-CB 3.65Å; Y998-P1032 HydrophobicContact CE2-CB 4.14Å; Y998-P1032 HydrophobicContact CG-CB 4.02Å; P1032-S1138 WeakPolarHBondContact O-CA 3.47Å; P1032-L1139 PolarHBondContact O-N 3.13Å; P1032-L1140 HydrophobicContact CB-CB 3.98Å; P1032-L1140 HydrophobicContact CB-CD1 3.91Å; P1032-L1140 HydrophobicContact CB-CG 3.94Å; P1032-L1140 HydrophobicContact CG-CB 4.01Å; P1032-L1140 HydrophobicContact CG-CD1 4.28Å; P1032-L1140 HydrophobicContact CG-CG 4.44Å; P1032-V1143 HydrophobicContact CG-CB 4.24Å; P1032-V1143 HydrophobicContact CG-CG1 4.36Å; P1032-V1143 HydrophobicContact CG-CG2 4.46Å; P1032-I1145 HydrophobicContact CG-CD1 4Å
1033L90.4Very high87.9Confident8 Ų829.2 Ų29.24%0.04217%0.171CC..EExtended strand (participates in β ladder)trans-110.9138-177.7-65.8177000111.2I1022 L1031 L1123 R1137 I1145 M1154I1022-L1033 HydrophobicContact CB-CB 4.42Å; I1022-L1033 HydrophobicContact CD1-CB 3.72Å; I1022-L1033 HydrophobicContact CG2-CB 4.36Å; I1022-L1033 HydrophobicContact CG2-CD1 3.91Å; L1031-L1033 HydrophobicContact CB-CD1 4.09Å; L1031-L1033 HydrophobicContact CB-CG 4.07Å; L1031-L1033 HydrophobicContact CD1-CD1 4.04Å; L1031-L1033 PolarHBondContact O-N 2.77Å; L1033-L1123 HydrophobicContact CD1-CD1 3.93Å; L1033-L1123 HydrophobicContact CD2-CD1 3.82Å; L1033-R1137 WeakPolarHBondContact CA-O 3.23Å; L1033-I1145 HydrophobicContact CD1-CD1 4.22Å; L1033-I1145 HydrophobicContact CD1-CG2 4.21Å; L1033-I1145 HydrophobicContact CD2-CD1 3.86Å; L1033-I1145 HydrophobicContact CG-CD1 3.84Å; L1033-M1154 HydrophobicContact CD1-CE 4.17Å; L1033-M1154 HydrophobicContact CD1-CG 4.4Å; L1033-M1154 HydrophobicContact CD1-SD 3.37Å; L1033-M1154 WeakPolarHBondContact CD1-SD 3.48Å
1034V89.3Confident87.7Confident1 Ų130.6 Ų30.61%0.00618%0.18CC..EExtended strand (participates in β ladder)trans-123.3124.8171.1178.70000109.4R999 F1091 M1095 V1107 F1136 R1137 L1139R999-V1034 HydrophobicContact CB-CG2 4.09Å; V1034-F1091 HydrophobicContact CB-CZ 4.47Å; V1034-F1091 HydrophobicContact CG1-CZ 4.35Å; V1034-M1095 HydrophobicContact CG1-SD 4.45Å; V1034-M1095 HydrophobicContact CG2-SD 4.32Å; V1034-V1107 HydrophobicContact CG1-CG2 4.38Å; V1034-F1136 WeakPolarHBondContact O-CA 3.4Å; V1034-R1137 PolarHBondContact N-O 3.36Å; V1034-R1137 PolarHBondContact O-N 3.17Å; V1034-L1139 HydrophobicContact CG2-CD1 3.55Å; V1034-L1139 HydrophobicContact CG2-CG 4.24Å
1035Q90.3Very high87.3Confident29 Ų2938.5 Ų38.514%0.13622%0.217CC..EExtended strand (participates in β ladder)trans-70.7134.7173.6-169.5176.412.200110.1Y1037 Y1135 F1136Q1035-Y1037 HydrophobicContact CG-CE2 4.2Å; Q1035-Y1037 PolarHBondContact OE1-OH 3.01Å; Q1035-Y1135 WeakPolarHBondContact CA-O 3.43Å; Q1035-Y1135 WeakPolarHBondContact CG-O 3.29Å; Q1035-F1136 HydrophobicContact CB-CD1 3.75Å; Q1035-F1136 HydrophobicContact CB-CE1 3.59Å; Q1035-F1136 HydrophobicContact CB-CZ 4.41Å; Q1035-F1136 HydrophobicContact CG-CD1 4.11Å; Q1035-F1136 HydrophobicContact CG-CE1 3.73Å; Q1035-F1136 HydrophobicContact CG-CZ 4.05Å
1036F90.3Very high87.1Confident2 Ų241.6 Ų41.61%0.00923%0.231CC..EExtended strand (participates in β ladder)trans-128.7158.4173.472.2-97.2000111.7L1038 F1091 V1107 V1109 L1114 M1117 V1122 Y1135 R1137F1036-L1038 HydrophobicContact CE2-CD2 4.39Å; F1036-F1091 HydrophobicContact CB-CE2 3.75Å; F1036-F1091 HydrophobicContact CB-CZ 4.21Å; F1036-F1091 AromaticContact CD1-CE2 3.99Å; F1036-F1091 HydrophobicContact CD1-CE2 3.99Å; F1036-F1091 HydrophobicContact CD1-CZ 4.32Å; F1036-F1091 HydrophobicContact CG-CE2 4.01Å; F1036-V1107 CarbonylContact C-O 3.56Å; F1036-V1107 WeakPolarHBondContact CA-O 3.4Å; F1036-V1107 HydrophobicContact CB-CB 4.34Å; F1036-V1107 HydrophobicContact CB-CG1 4.4Å; F1036-V1109 HydrophobicContact CB-CG2 3.69Å; F1036-V1109 HydrophobicContact CD2-CB 3.92Å; F1036-V1109 HydrophobicContact CD2-CG2 3.46Å; F1036-V1109 VanDerWaalsContact CD2-CG2 3.46Å; F1036-V1109 HydrophobicContact CE2-CB 4.41Å; F1036-V1109 HydrophobicContact CE2-CG2 4.26Å; F1036-V1109 HydrophobicContact CG-CG2 3.76Å; F1036-L1114 HydrophobicContact CE2-CD2 3.8Å; F1036-L1114 HydrophobicContact CZ-CD2 4.28Å; F1036-M1117 HydrophobicContact CE1-CE 4.49Å; F1036-M1117 HydrophobicContact CE1-SD 4.37Å; F1036-M1117 HydrophobicContact CZ-SD 4.09Å; F1036-V1122 HydrophobicContact CE1-CG1 4.15Å; F1036-V1122 HydrophobicContact CZ-CG1 4.08Å; F1036-Y1135 VanDerWaalsContact CE2-CB 3.49Å; F1036-Y1135 HydrophobicContact CE2-CD1 4.37Å; F1036-Y1135 HydrophobicContact CE2-CG 4.03Å; F1036-Y1135 VanDerWaalsContact CZ-CB 3.41Å; F1036-Y1135 HydrophobicContact CZ-CD1 4.27Å; F1036-Y1135 HydrophobicContact CZ-CG 4.15Å; F1036-Y1135 PolarHBondContact N-O 2.92Å; F1036-R1137 HydrophobicContact CD1-CB 4.08Å; F1036-R1137 HydrophobicContact CE1-CB 4.07Å
1037Y89.4Confident86.9Confident80 Ų8040.6 Ų40.631%0.31423%0.225SC..EExtended strand (participates in β ladder)trans-120.8141.3-173-60.5-98.9000109.2Q1035 F1104 P1106 V1107 K1108 V1109Q1035-Y1037 HydrophobicContact CG-CE2 4.2Å; Q1035-Y1037 PolarHBondContact OE1-OH 3.01Å; Y1037-F1104 HydrophobicContact CE2-CE1 4.45Å; Y1037-F1104 HydrophobicContact CE2-CZ 4.39Å; Y1037-P1106 HydrophobicContact CD2-CB 3.24Å; Y1037-P1106 HydrophobicContact CE2-CB 3.25Å; Y1037-P1106 HydrophobicContact CG-CB 3.91Å; Y1037-V1107 PolarHBondContact N-O 3.38Å; Y1037-K1108 CarbonylContact O-C 3.56Å; Y1037-K1108 WeakPolarHBondContact O-CA 3.42Å; Y1037-V1109 PolarHBondContact O-N 2.85Å
1038L88.5Confident86.7Confident36 Ų3641.3 Ų41.319%0.18823%0.228CC..EExtended strand (participates in β ladder)trans-68.3138.4178.4-57.2-179.7000110.5F1036 I1042 A1047 L1114 Y1135F1036-L1038 HydrophobicContact CE2-CD2 4.39Å; L1038-I1042 HydrophobicContact CB-CB 4.31Å; L1038-I1042 HydrophobicContact CD1-CG2 4.38Å; L1038-A1047 HydrophobicContact CD1-CB 3.66Å; L1038-A1047 HydrophobicContact CD2-CB 3.59Å; L1038-A1047 HydrophobicContact CG-CB 4.29Å; L1038-L1114 HydrophobicContact CD2-CD1 4.09Å; L1038-L1114 HydrophobicContact CD2-CD2 4.24Å; L1038-Y1135 HydrophobicContact CD1-CD2 4.46Å; L1038-Y1135 HydrophobicContact CD1-CE2 3.65Å; L1038-Y1135 HydrophobicContact CD2-CD2 4.25Å; L1038-Y1135 HydrophobicContact CD2-CE2 4.14Å; L1038-Y1135 HydrophobicContact CG-CD2 4.13Å; L1038-Y1135 HydrophobicContact CG-CE2 3.81Å
1039G82.2Confident86.3Confident16 Ų1644.2 Ų44.217%0.16525%0.248CC..PPolyproline II helixtrans-62.1159.9172.300000112.4G1041 I1042 V1109G1039-G1041 PolarHBondContact O-N 3.2Å; G1039-I1042 PolarHBondContact O-N 3.24Å; G1039-V1109 WeakPolarHBondContact CA-O 3.46Å; G1039-V1109 PolarHBondContact N-O 3.3Å
1040E77.6Confident86Confident173 Ų17341.4 Ų41.481%0.80824%0.235SC*.THydrogen-bonded Turntrans-58.2128.8-176.4-67.1178.9-172.200111.7
1041G78.1Confident85.7Confident68 Ų6840.9 Ų40.970%0.70123%0.232SC*.THydrogen-bonded Turntrans82.413.8178.900000116G1039 R1111G1039-G1041 PolarHBondContact O-N 3.2Å; G1041-R1111 PolarHBondContact O-NH2 3.23Å
1042I84.9Confident85.2Confident21 Ų2145.3 Ų45.311%0.10826%0.256CS..  trans-100.2122.6170.7-55.3172.8000108.9L1038 G1039 E1046 A1047 R1111 L1114L1038-I1042 HydrophobicContact CB-CB 4.31Å; L1038-I1042 HydrophobicContact CD1-CG2 4.38Å; G1039-I1042 PolarHBondContact O-N 3.24Å; I1042-E1046 HydrophobicContact CG2-CB 4.4Å; I1042-E1046 HydrophobicContact CG2-CG 4.43Å; I1042-A1047 HydrophobicContact CG2-CB 4.01Å; I1042-R1111 HydrophobicContact CD1-CG 3.72Å; I1042-R1111 HydrophobicContact CG1-CG 3.94Å; I1042-L1114 HydrophobicContact CD1-CD1 4.11Å; I1042-L1114 HydrophobicContact CG2-CD1 4.19Å
1043G84.8Confident84.4Confident37 Ų3749.7 Ų49.738%0.38128%0.279SS..  trans-81.5161.3174.300000113E1045 E1046 A1047G1043-E1045 PolarHBondContact O-N 3Å; G1043-E1046 PolarHBondContact N-OE2 3.39Å; G1043-E1046 WeakPolarHBondContact O-CB 3.17Å; G1043-E1046 PolarHBondContact O-N 3.38Å; G1043-A1047 WeakPolarHBondContact O-CB 3.41Å; G1043-A1047 PolarHBondContact O-N 3.34Å
1044D85.2Confident82.7Confident54 Ų5458.1 Ų58.129%0.28932%0.318SS..Hα-helixtrans-62.6-40.5179.4-72.4-51.7000113.1A1047 L1048 W1133 Y1135D1044-A1047 PolarHBondContact O-N 2.66Å; D1044-L1048 PolarHBondContact O-N 3.45Å; D1044-W1133 HydrophobicContact CB-CD2 3.99Å; D1044-W1133 HydrophobicContact CB-CE3 3.64Å; D1044-W1133 HydrophobicContact CB-CZ3 3.87Å; D1044-Y1135 WeakPolarHBondContact CA-OH 3.44Å; D1044-Y1135 WeakPolarHBondContact CB-OH 3.43Å; D1044-Y1135 WeakPolarHBondContact OD1-CE2 3.18Å; D1044-Y1135 PolarHBondContact OD1-OH 2.89Å
1045E84.5Confident81.3Confident166 Ų16661.3 Ų61.378%0.77634%0.337SS*.Hα-helixtrans-68.3-38175-65.9-179.8178.300111.9G1043 S1049G1043-E1045 PolarHBondContact O-N 3Å; E1045-S1049 PolarHBondContact O-N 3.17Å; E1045-S1049 VanDerWaalsContact O-N 3.08Å
1046E85.8Confident79.3Confident67 Ų6765.1 Ų65.131%0.31336%0.364SS..Hα-helixtrans-64.4-44.8175-172.6-173.4175.100110.4I1042 G1043 S1049 L1050 R1111I1042-E1046 HydrophobicContact CG2-CB 4.4Å; I1042-E1046 HydrophobicContact CG2-CG 4.43Å; G1043-E1046 PolarHBondContact N-OE2 3.39Å; G1043-E1046 WeakPolarHBondContact O-CB 3.17Å; G1043-E1046 PolarHBondContact O-N 3.38Å; E1046-S1049 PolarHBondContact O-N 3.04Å; E1046-S1049 PolarHBondContact O-OG 3.03Å; E1046-L1050 HydrophobicContact CG-CD1 4.23Å; E1046-L1050 VanDerWaalsContact O-CG 3.28Å; E1046-L1050 WeakPolarHBondContact O-CG 3.41Å; E1046-L1050 PolarHBondContact O-N 3.07Å; E1046-R1111 IonicContact OE1-CZ 3.23Å; E1046-R1111 VanDerWaalsContact OE1-CZ 3.24Å; E1046-R1111 IonicContact OE1-NE 2.9Å; E1046-R1111 PolarHBondContact OE1-NE 3.12Å; E1046-R1111 IonicContact OE1-NH2 2.67Å; E1046-R1111 PolarHBondContact OE1-NH2 2.88Å; E1046-R1111 IonicContact OE2-NH2 3.24Å; E1046-R1111 PolarHBondContact OE2-NH2 2.89Å
1047A84.3Confident76.8Confident0 Ų073.5 Ų73.50%040%0.403CS..Hα-helixtrans-61.6-44.7177.800000112.5L1038 I1042 G1043 D1044 S1049 L1050 I1051 L1114 Y1135L1038-A1047 HydrophobicContact CD1-CB 3.66Å; L1038-A1047 HydrophobicContact CD2-CB 3.59Å; L1038-A1047 HydrophobicContact CG-CB 4.29Å; I1042-A1047 HydrophobicContact CG2-CB 4.01Å; G1043-A1047 WeakPolarHBondContact O-CB 3.41Å; G1043-A1047 PolarHBondContact O-N 3.34Å; D1044-A1047 PolarHBondContact O-N 2.66Å; A1047-S1049 PolarHBondContact O-N 3.44Å; A1047-L1050 PolarHBondContact O-N 2.89Å; A1047-I1051 WeakPolarHBondContact O-CD1 3.46Å; A1047-I1051 VanDerWaalsContact O-CG1 3.28Å; A1047-I1051 WeakPolarHBondContact O-CG1 3.4Å; A1047-I1051 PolarHBondContact O-N 3.06Å; A1047-I1051 VanDerWaalsContact O-N 3.14Å; A1047-L1114 HydrophobicContact CB-CD1 4.17Å; A1047-Y1135 HydrophobicContact CB-CE1 4.28Å
1048L84.4Confident74.3Confident21 Ų2176.8 Ų76.811%0.1143%0.432CS..Hα-helixtrans-57-48.9173.5-89.4177.1000111.8D1044 L1050 I1051 D1052 I1124 W1133D1044-L1048 PolarHBondContact O-N 3.45Å; L1048-L1050 PolarHBondContact O-N 3.47Å; L1048-I1051 PolarHBondContact O-N 3.46Å; L1048-I1051 VanDerWaalsContact O-N 3.09Å; L1048-D1052 PolarHBondContact O-N 2.98Å; L1048-I1124 HydrophobicContact CD2-CD1 3.35Å; L1048-I1124 HydrophobicContact CG-CD1 4.31Å; L1048-W1133 HydrophobicContact CD1-CE3 4.41Å; L1048-W1133 HydrophobicContact CD1-CH2 3.63Å; L1048-W1133 HydrophobicContact CD1-CZ3 3.26Å; L1048-W1133 HydrophobicContact CG-CZ3 3.84Å
1049S83Confident71.5Confident64 Ų6483.4 Ų83.445%0.44846%0.462SS..Hα-helixtrans-60.7-30.8-179.975.30000112.8E1045 E1046 A1047 L1053E1045-S1049 PolarHBondContact O-N 3.17Å; E1045-S1049 VanDerWaalsContact O-N 3.08Å; E1046-S1049 PolarHBondContact O-N 3.04Å; E1046-S1049 PolarHBondContact O-OG 3.03Å; A1047-S1049 PolarHBondContact O-N 3.44Å; S1049-L1053 WeakPolarHBondContact O-CD1 3.41Å; S1049-L1053 WeakPolarHBondContact O-CG 3.33Å
1050L82.7Confident69.1Low10 Ų1089.3 Ų89.35%0.05249%0.49CS..Hα-helixtrans-76.7-29.8178.1-69169.7000112.9E1046 A1047 L1048 L1053 R1111 L1114 R1115E1046-L1050 HydrophobicContact CG-CD1 4.23Å; E1046-L1050 VanDerWaalsContact O-CG 3.28Å; E1046-L1050 WeakPolarHBondContact O-CG 3.41Å; E1046-L1050 PolarHBondContact O-N 3.07Å; A1047-L1050 PolarHBondContact O-N 2.89Å; L1048-L1050 PolarHBondContact O-N 3.47Å; L1050-L1053 HydrophobicContact CD2-CD1 4.46Å; L1050-R1111 HydrophobicContact CD1-CB 4.19Å; L1050-R1111 HydrophobicContact CD1-CG 4.05Å; L1050-L1114 HydrophobicContact CB-CB 3.97Å; L1050-L1114 HydrophobicContact CD1-CB 4.46Å; L1050-L1114 HydrophobicContact CD1-CD1 4.1Å; L1050-R1115 HydrophobicContact CB-CG 4.37Å; L1050-R1115 HydrophobicContact CD2-CG 3.76Å; L1050-R1115 VanDerWaalsContact CD2-NE 3.3Å
1051I83.5Confident66.7Low1 Ų187.8 Ų87.81%0.00550%0.496CS..Hα-helixtrans-83.7-32.3179.1-62.4159.9000111.5A1047 L1048 L1053 L1114 R1119 V1122 I1124 Y1135A1047-I1051 WeakPolarHBondContact O-CD1 3.46Å; A1047-I1051 VanDerWaalsContact O-CG1 3.28Å; A1047-I1051 WeakPolarHBondContact O-CG1 3.4Å; A1047-I1051 PolarHBondContact O-N 3.06Å; A1047-I1051 VanDerWaalsContact O-N 3.14Å; L1048-I1051 PolarHBondContact O-N 3.46Å; L1048-I1051 VanDerWaalsContact O-N 3.09Å; I1051-L1053 PolarHBondContact O-N 3.23Å; I1051-L1114 HydrophobicContact CD1-CD2 4.17Å; I1051-L1114 HydrophobicContact CG1-CB 4.46Å; I1051-L1114 HydrophobicContact CG1-CD2 4.17Å; I1051-R1119 HydrophobicContact CG2-CB 4.32Å; I1051-V1122 HydrophobicContact CD1-CG1 4.22Å; I1051-V1122 HydrophobicContact CG2-CB 4.28Å; I1051-V1122 HydrophobicContact CG2-CG2 4.23Å; I1051-I1124 HydrophobicContact CD1-CD1 4.47Å; I1051-Y1135 HydrophobicContact CD1-CD1 4.45Å
1052D79.5Confident64.3Low95 Ų9593.6 Ų93.651%0.50850%0.503SS..SBendtrans-77.7-4.7179.8-71.5-28.1000113.1L1048 R1119L1048-D1052 PolarHBondContact O-N 2.98Å; D1052-R1119 WeakPolarHBondContact OD1-CD 3.28Å; D1052-R1119 IonicContact OD1-NE 2.63Å; D1052-R1119 PolarHBondContact OD1-NE 2.76Å; D1052-R1119 VanDerWaalsContact OD1-NE 3.11Å
1053L74.2Confident61.7Low95 Ų9596.7 Ų96.750%0.49753%0.531SS..SBendtrans-74.6134.7173.6-75.7161.3000110.8S1049 L1050 I1051 V1055S1049-L1053 WeakPolarHBondContact O-CD1 3.41Å; S1049-L1053 WeakPolarHBondContact O-CG 3.33Å; L1050-L1053 HydrophobicContact CD2-CD1 4.46Å; I1051-L1053 PolarHBondContact O-N 3.23Å; L1053-V1055 PolarHBondContact O-N 2.94Å
1054E55Low58.9Low184 Ų184103.8 Ų103.886%0.8656%0.555SS**PPolyproline II helixtrans-59.2130.9175.4-74.9-177.9159.900111.3
1055V58.8Low56.3Low69 Ų69106.5 Ų106.542%0.41858%0.578SS.*PPolyproline II helixtrans-62.5131.3177.6-174.40000108.5L1053 H1057L1053-V1055 PolarHBondContact O-N 2.94Å; V1055-H1057 PolarHBondContact O-N 3.31Å
1056P48.1Very low54.1Low108 Ų108103.6 Ų103.670%0.70157%0.573SS**PPolyproline II helixtrans-58122.2-179.2-21.530.7000111.7T1058P1056-T1058 PolarHBondContact O-N 2.91Å
1057H38.2Very low51.2Low178 Ų178107.3 Ų107.382%0.82460%0.595SS**PPolyproline II helixtrans-62118.5170.6-82.1-61000110.3V1055 E1059V1055-H1057 PolarHBondContact O-N 3.31Å; H1057-E1059 PolarHBondContact O-N 3.17Å
1058T37Very low48.6Very low149 Ų149114 Ų11491%0.91464%0.636SS**  trans-78.998161.6270000108.8P1056P1056-T1058 PolarHBondContact O-N 2.91Å
1059E30.8Very low45.8Very low175 Ų175116.6 Ų116.682%0.81867%0.668SS**  trans-77.8128.1170.3-74.7-170.5157.400111.8H1057H1057-E1059 PolarHBondContact O-N 3.17Å
1060D31.8Very low43.1Very low140 Ų140118.8 Ų118.875%0.74968%0.683SS**  trans48.1116147.5-74.4-18000121.9
1061C26.1Very low40.4Very low141 Ų141123.6 Ų123.695%0.95372%0.718SS**  -148.4137.8127.8-1050000113.7
1062K28.7Very low37.7Very low191 Ų191127.4 Ų127.483%0.8375%0.749SS**  trans-79.9152.2-164.5-72.1170173.3167.90114.6
1063A28.6Very low35.3Very low86 Ų86129.7 Ų129.771%0.71176%0.761SS**  trans70.3115.1136.400000119.5
1064Q25.8Very low33.2Very low186 Ų186132.1 Ų132.187%0.86977%0.774SS**  161.1121.4100.7-84.5-178.6-0.800109.1
1065S31.7Very low31.9Very low111 Ų111131.7 Ų131.778%0.77677%0.772SS**  trans-57.8149.715857.10000109.7
1066P38Very low30.4Very low105 Ų105132.9 Ų132.968%0.68279%0.789SS**  -157.2165.37540-19.1000118.4
1067N24.8Very low29.7Very low145 Ų145135.5 Ų135.578%0.77580%0.796SS**  trans77.8119.5141.1-72.5-12.2000123.1
1068V29.9Very low29.1Very low140 Ų140138.8 Ų138.885%0.84880%0.801SS**  50.1122.3121.7-170.90000118.5
1069G25.1Very low29.2Very low76 Ų76139.2 Ų139.278%0.78480%0.796SS**  trans169.7114154.300000115
1070S26.3Very low29Very low110 Ų110138.3 Ų138.377%0.76980%0.797SS**  trans-69.8170.5174.952.30000115.3
1071S25.8Very low28.9Very low111 Ų111139.2 Ų139.278%0.77680%0.802SS**  trans69.6140.3155.865.40000115.6
1072A27.8Very low29.5Very low80 Ų80135.7 Ų135.766%0.66179%0.79SS**  cis142.4151.815.800000103.4
1073D28.2Very low29.5Very low143 Ų143134.5 Ų134.577%0.76579%0.792SS**  trans75.7109.7166.4-59.2-17.2000116.8
1074L31.3Very low29.6Very low146 Ų146137 Ų13776%0.76480%0.798SS**  90.8124.174.8-90.4160.9000113
1075E27.8Very low29.9Very low175 Ų175133.9 Ų133.982%0.81879%0.787SS**  trans89.1121.7148.8-70.6-176.7170.600122.6
1076A27Very low30.1Very low94 Ų94135.3 Ų135.378%0.77779%0.791SS**  trans83.9101.413100000120.2
1077L32.3Very low30.4Very low163 Ų163137.7 Ų137.785%0.85380%0.798SS**  trans1.1113.3138.3-85149.6000117.2
1078R25.7Very low31.5Very low247 Ų247136 Ų13693%0.93279%0.789SS**  trans-141.2134.7131.8-79-162.8177.3179.4-0.3110.7
1079I40Very low33.2Very low158 Ų158131.4 Ų131.481%0.8176%0.76SS**  trans-72.8125.4172.6-65.5163.6000108
1080D25.7Very low35.2Very low157 Ų157130.8 Ų130.884%0.8474%0.742SS**  trans-152.2144.7147.1-147.7-3.4000110.4
1081D31.2Very low37.6Very low158 Ų158125.5 Ų125.585%0.84571%0.705SS**  trans-67.5147-162.4-94.1-43.4000115.2
1082G36.9Very low39.9Very low68 Ų68122.2 Ų122.270%0.70168%0.682SS**  trans97.264.2138.700000118.2
1083L29.2Very low41.6Very low166 Ų166120.3 Ų120.387%0.86967%0.667SS**  trans-143.6104.9149.3-80.9172.2000108.9N1085L1083-N1085 PolarHBondContact O-N 2.91Å; L1083-N1085 VanDerWaalsContact O-N 3.11Å
1084V32.1Very low43.4Very low139 Ų139116.7 Ų116.784%0.84264%0.644SS**  trans-65106.8168.6176.50000106.8T1086V1084-T1086 PolarHBondContact O-N 2.9Å
1085N31.4Very low45.3Very low120 Ų120110.5 Ų110.564%0.64261%0.611SS**  trans-59.1121.7169-85.6-21.7000108.4L1083 D1087L1083-N1085 PolarHBondContact O-N 2.91Å; L1083-N1085 VanDerWaalsContact O-N 3.11Å; N1085-D1087 PolarHBondContact O-N 3.01Å; N1085-D1087 VanDerWaalsContact O-N 3.1Å
1086T36Very low46.8Very low140 Ų140105.5 Ų105.586%0.85960%0.596SS**THydrogen-bonded Turntrans-74.912.2-177.640.30000114.3V1084V1084-T1086 PolarHBondContact O-N 2.9Å
1087D43.7Very low48.2Very low155 Ų155110 Ų11083%0.82960%0.598SS**THydrogen-bonded Turntrans-109-2.5-179.9-75.4-19.9000113.8N1085N1085-D1087 PolarHBondContact O-N 3.01Å; N1085-D1087 VanDerWaalsContact O-N 3.1Å
1088D49Very low49.4Very low111 Ų111106.4 Ų106.459%0.59458%0.577SS**SBendtrans-84.8121.2179.3-77.6-27.5000112
1089D64.3Low50.8Low42 Ų4299.6 Ų99.623%0.22556%0.556CS.*  trans-49.5130.3170.6153.953.9000111F1091 S1092 A1093 R1137D1089-F1091 PolarHBondContact O-N 3.4Å; D1089-F1091 PolarHBondContact OD1-N 3.31Å; D1089-F1091 WeakPolarHBondContact OD2-CB 3.45Å; D1089-S1092 WeakPolarHBondContact O-CA 3.3Å; D1089-S1092 WeakPolarHBondContact O-CB 3.03Å; D1089-S1092 PolarHBondContact O-N 3.43Å; D1089-S1092 PolarHBondContact OD2-N 3.49Å; D1089-S1092 PolarHBondContact OD2-OG 3.17Å; D1089-A1093 PolarHBondContact O-N 3.4Å; D1089-A1093 VanDerWaalsContact O-N 3.11Å; D1089-R1137 IonicContact OD1-CZ 2.87Å; D1089-R1137 IonicContact OD1-NH1 3.15Å; D1089-R1137 PolarHBondContact OD1-NH1 2.85Å; D1089-R1137 IonicContact OD1-NH2 3.45Å; D1089-R1137 PolarHBondContact OD1-NH2 2.85Å; D1089-R1137 VanDerWaalsContact OD1-NH2 3.17Å; D1089-R1137 IonicContact OD2-CZ 3.67Å; D1089-R1137 IonicContact OD2-NH1 2.77Å; D1089-R1137 PolarHBondContact OD2-NH1 2.92Å; D1089-R1137 IonicContact OD2-NH2 2.74Å; D1089-R1137 PolarHBondContact OD2-NH2 2.93Å
1090P67.4Low51.5Low63 Ų6394.9 Ų94.941%0.40955%0.546SS..THydrogen-bonded Turntrans-56-22.3-174.6-27.933.7000115.7V1113P1090-V1113 HydrophobicContact CB-CG1 4.37Å; P1090-V1113 HydrophobicContact CB-CG2 3.89Å
1091F77.4Confident52.9Low0 Ų089.3 Ų89.30%053%0.526CS..THydrogen-bonded Turntrans-79.3-40.1172.9-177-96.5000112.1V1034 F1036 D1089 A1093 K1094 M1095 V1107 V1109 V1113 M1117 R1137 L1139V1034-F1091 HydrophobicContact CB-CZ 4.47Å; V1034-F1091 HydrophobicContact CG1-CZ 4.35Å; F1036-F1091 HydrophobicContact CB-CE2 3.75Å; F1036-F1091 HydrophobicContact CB-CZ 4.21Å; F1036-F1091 AromaticContact CD1-CE2 3.99Å; F1036-F1091 HydrophobicContact CD1-CE2 3.99Å; F1036-F1091 HydrophobicContact CD1-CZ 4.32Å; F1036-F1091 HydrophobicContact CG-CE2 4.01Å; D1089-F1091 PolarHBondContact O-N 3.4Å; D1089-F1091 PolarHBondContact OD1-N 3.31Å; D1089-F1091 WeakPolarHBondContact OD2-CB 3.45Å; F1091-A1093 VanDerWaalsContact C-N 3.31Å; F1091-A1093 PolarHBondContact O-N 3.48Å; F1091-K1094 WeakPolarHBondContact O-CB 3.41Å; F1091-K1094 PolarHBondContact O-N 3.48Å; F1091-M1095 HydrophobicContact CD1-CE 3.91Å; F1091-M1095 HydrophobicContact CD1-CG 4.3Å; F1091-M1095 HydrophobicContact CD1-SD 4.02Å; F1091-M1095 HydrophobicContact CE1-CE 4.06Å; F1091-M1095 HydrophobicContact CE1-CG 4.18Å; F1091-M1095 HydrophobicContact CE1-SD 3.63Å; F1091-M1095 PolarHBondContact O-N 3.29Å; F1091-M1095 VanDerWaalsContact O-N 3.16Å; F1091-V1107 HydrophobicContact CE2-CG1 4.01Å; F1091-V1107 HydrophobicContact CZ-CG1 4.38Å; F1091-V1109 HydrophobicContact CD2-CG2 4Å; F1091-V1109 HydrophobicContact CE2-CG2 3.92Å; F1091-V1113 HydrophobicContact CB-CG1 4.07Å; F1091-V1113 HydrophobicContact CD2-CG1 4.45Å; F1091-M1117 HydrophobicContact CB-CE 4.12Å; F1091-M1117 HydrophobicContact CD2-CE 3.19Å; F1091-M1117 HydrophobicContact CE2-CE 3.71Å; F1091-M1117 HydrophobicContact CG-CE 3.88Å; F1091-R1137 HydrophobicContact CE1-CB 4.15Å; F1091-R1137 HydrophobicContact CE1-CG 4.29Å; F1091-R1137 HydrophobicContact CE2-CB 4.44Å; F1091-R1137 HydrophobicContact CZ-CB 3.92Å; F1091-R1137 HydrophobicContact CZ-CG 4.49Å; F1091-L1139 HydrophobicContact CD1-CD2 4.29Å; F1091-L1139 HydrophobicContact CE1-CD2 4.06Å
1092S72.8Confident54.4Low42 Ų4286.8 Ų86.829%0.29452%0.521SS..Hα-helixtrans-61.2-39.3175.4-61.10000111.8D1089 K1094 M1095 S1096D1089-S1092 WeakPolarHBondContact O-CA 3.3Å; D1089-S1092 WeakPolarHBondContact O-CB 3.03Å; D1089-S1092 PolarHBondContact O-N 3.43Å; D1089-S1092 PolarHBondContact OD2-N 3.49Å; D1089-S1092 PolarHBondContact OD2-OG 3.17Å; S1092-K1094 VanDerWaalsContact C-N 3.25Å; S1092-K1094 PolarHBondContact O-N 2.96Å; S1092-M1095 PolarHBondContact O-N 2.85Å; S1092-M1095 VanDerWaalsContact O-N 3.08Å; S1092-S1096 PolarHBondContact O-N 3.36Å; S1092-S1096 PolarHBondContact O-OG 3.32Å
1093A64.5Low56.2Low40 Ų4088.2 Ų88.233%0.33152%0.516SS..Hα-helixtrans-62.3-2717200000114.1D1089 F1091 S1096D1089-A1093 PolarHBondContact O-N 3.4Å; D1089-A1093 VanDerWaalsContact O-N 3.11Å; F1091-A1093 VanDerWaalsContact C-N 3.31Å; F1091-A1093 PolarHBondContact O-N 3.48Å; A1093-S1096 PolarHBondContact O-OG 3.21Å
1094K65.5Low58.6Low66 Ų6683.5 Ų83.529%0.28749%0.488SS..Hα-helixtrans-82.2-23174.1-76.6-175.1170.2-1750113.1F1091 S1092 K1108 S1110F1091-K1094 WeakPolarHBondContact O-CB 3.41Å; F1091-K1094 PolarHBondContact O-N 3.48Å; S1092-K1094 VanDerWaalsContact C-N 3.25Å; S1092-K1094 PolarHBondContact O-N 2.96Å; K1094-K1108 PolarHBondContact NZ-O 2.69Å; K1094-S1110 PolarHBondContact NZ-OG 3.28Å
1095M70.6Confident61Low16 Ų1679.4 Ų79.48%0.07946%0.464CS..Hα-helixtrans-75.8-31.1175.5-64.9-167.9-68.800112.4V1034 F1091 S1092 L1139V1034-M1095 HydrophobicContact CG1-SD 4.45Å; V1034-M1095 HydrophobicContact CG2-SD 4.32Å; F1091-M1095 HydrophobicContact CD1-CE 3.91Å; F1091-M1095 HydrophobicContact CD1-CG 4.3Å; F1091-M1095 HydrophobicContact CD1-SD 4.02Å; F1091-M1095 HydrophobicContact CE1-CE 4.06Å; F1091-M1095 HydrophobicContact CE1-CG 4.18Å; F1091-M1095 HydrophobicContact CE1-SD 3.63Å; F1091-M1095 PolarHBondContact O-N 3.29Å; F1091-M1095 VanDerWaalsContact O-N 3.16Å; S1092-M1095 PolarHBondContact O-N 2.85Å; S1092-M1095 VanDerWaalsContact O-N 3.08Å; M1095-L1139 HydrophobicContact CE-CD1 3.95Å; M1095-L1139 HydrophobicContact CE-CD2 3.63Å; M1095-L1139 HydrophobicContact CE-CG 4.48Å; M1095-L1139 HydrophobicContact SD-CD1 4.01Å; M1095-L1139 HydrophobicContact SD-CD2 4.25Å
1096S60.2Low63.3Low71 Ų7175.7 Ų75.750%0.49745%0.446SS..Hα-helixtrans-77.4-30.2-177.7510000114.2S1092 A1093 E1098S1092-S1096 PolarHBondContact O-N 3.36Å; S1092-S1096 PolarHBondContact O-OG 3.32Å; A1093-S1096 PolarHBondContact O-OG 3.21Å; S1096-E1098 VanDerWaalsContact C-N 3.34Å; S1096-E1098 PolarHBondContact O-N 3.02Å
1097F55.5Low65.6Low188 Ų18869.1 Ų69.183%0.82541%0.406SS*.THydrogen-bonded Turntrans-74-12-174.8-109.8-89.4000115.8
1098E58.6Low67.6Low88 Ų8866.9 Ų66.941%0.41139%0.389SS..THydrogen-bonded Turntrans-123.431.3-168.3-62.9-174.9163.400114.6R999 S1096 V1105R999-E1098 IonicContact NH2-OE2 3.5Å; R999-E1098 PolarHBondContact NH2-OE2 3.28Å; S1096-E1098 VanDerWaalsContact C-N 3.34Å; S1096-E1098 PolarHBondContact O-N 3.02Å; E1098-V1105 VanDerWaalsContact OE2-CG1 3.23Å; E1098-V1105 WeakPolarHBondContact OE2-CG1 3.38Å
1099Q54.1Low69.4Low103 Ų10361.7 Ų61.748%0.48136%0.361SS..  trans-88.5120.9-178.7-59.7-173.82.900111.9C1000C1000-Q1099 HydrophobicContact CB-CG 4.41Å
1100G54.7Low70.4Confident60 Ų6061.7 Ų61.762%0.61936%0.364SS*.  trans129.114.4163.800000119.9
1101G56.4Low71.2Confident40 Ų4063.8 Ų63.841%0.41236%0.364SS..  trans-91.9154.7179.100000115.3T1103G1101-T1103 PolarHBondContact O-N 3.5Å
1102S62.6Low71.3Confident105 Ų10567.8 Ų67.873%0.73439%0.392SS*.SBendtrans-70.7-11.9173.258.70000114
1103T73.3Confident71.7Confident97 Ų9766 Ų6660%0.59538%0.379SS*.SBendtrans-120.3143.1-176.852.70000110.9G1101 V1105G1101-T1103 PolarHBondContact O-N 3.5Å; T1103-V1105 PolarHBondContact O-N 3.17Å
1104F81.1Confident72.6Confident67 Ų6764.1 Ų64.129%0.29436%0.364SS..  trans-59.9129.4173.2173.4-110.4000111.3R1018 Q1019 Y1037 P1106R1018-F1104 HydrophobicContact CB-CB 3.92Å; R1018-F1104 WeakPolarHBondContact O-CD2 3.16Å; Q1019-F1104 HydrophobicContact CB-CE2 4.49Å; Y1037-F1104 HydrophobicContact CE2-CE1 4.45Å; Y1037-F1104 HydrophobicContact CE2-CZ 4.39Å; F1104-P1106 HydrophobicContact CE1-CB 4.23Å
1105V80.8Confident73.4Confident53 Ų5367.9 Ų67.932%0.32138%0.376SS..  trans-112.7120.2175.6-174.20000109.3R999 E1098 T1103R999-V1105 VanDerWaalsContact CZ-O 3.22Å; R999-V1105 PolarHBondContact NH1-O 3.46Å; R999-V1105 PolarHBondContact NH2-O 3.12Å; E1098-V1105 VanDerWaalsContact OE2-CG1 3.23Å; E1098-V1105 WeakPolarHBondContact OE2-CG1 3.38Å; T1103-V1105 PolarHBondContact O-N 3.17Å
1106P81.3Confident73.9Confident42 Ų4269.1 Ų69.127%0.27339%0.386SS..  trans-74.6134.5-178.627-32.5000112.6Y1037 F1104 K1108Y1037-P1106 HydrophobicContact CD2-CB 3.24Å; Y1037-P1106 HydrophobicContact CE2-CB 3.25Å; Y1037-P1106 HydrophobicContact CG-CB 3.91Å; F1104-P1106 HydrophobicContact CE1-CB 4.23Å; P1106-K1108 PolarHBondContact O-N 3.23Å; P1106-K1108 VanDerWaalsContact O-N 3.16Å
1107V84.6Confident75Confident2 Ų265.8 Ų65.81%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-70.6108.5176.2-178.10000109.9V1034 F1036 Y1037 F1091 V1109V1034-V1107 HydrophobicContact CG1-CG2 4.38Å; F1036-V1107 CarbonylContact C-O 3.56Å; F1036-V1107 WeakPolarHBondContact CA-O 3.4Å; F1036-V1107 HydrophobicContact CB-CB 4.34Å; F1036-V1107 HydrophobicContact CB-CG1 4.4Å; Y1037-V1107 PolarHBondContact N-O 3.38Å; F1091-V1107 HydrophobicContact CE2-CG1 4.01Å; F1091-V1107 HydrophobicContact CZ-CG1 4.38Å; V1107-V1109 HydrophobicContact CG1-CG2 4.43Å
1108K85.2Confident76.2Confident109 Ų10958.6 Ų58.647%0.47434%0.336SS..EExtended strand (participates in β ladder)trans-93.7123.8179.2-69.1-175.6-179.6-178.70112.6Y1037 K1094 P1106Y1037-K1108 CarbonylContact O-C 3.56Å; Y1037-K1108 WeakPolarHBondContact O-CA 3.42Å; K1094-K1108 PolarHBondContact NZ-O 2.69Å; P1106-K1108 PolarHBondContact O-N 3.23Å; P1106-K1108 VanDerWaalsContact O-N 3.16Å
1109V85.8Confident77.4Confident1 Ų159 Ų591%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-105.5133.8-173.2-176.40000111.1F1036 Y1037 G1039 F1091 V1107 V1113 L1114 M1117F1036-V1109 HydrophobicContact CB-CG2 3.69Å; F1036-V1109 HydrophobicContact CD2-CB 3.92Å; F1036-V1109 HydrophobicContact CD2-CG2 3.46Å; F1036-V1109 VanDerWaalsContact CD2-CG2 3.46Å; F1036-V1109 HydrophobicContact CE2-CB 4.41Å; F1036-V1109 HydrophobicContact CE2-CG2 4.26Å; F1036-V1109 HydrophobicContact CG-CG2 3.76Å; Y1037-V1109 PolarHBondContact O-N 2.85Å; G1039-V1109 WeakPolarHBondContact CA-O 3.46Å; G1039-V1109 PolarHBondContact N-O 3.3Å; F1091-V1109 HydrophobicContact CD2-CG2 4Å; F1091-V1109 HydrophobicContact CE2-CG2 3.92Å; V1107-V1109 HydrophobicContact CG1-CG2 4.43Å; V1109-V1113 HydrophobicContact CG1-CB 3.59Å; V1109-V1113 HydrophobicContact CG1-CG1 3.6Å; V1109-L1114 HydrophobicContact CB-CD2 4.46Å; V1109-L1114 HydrophobicContact CG1-CD2 3.76Å; V1109-L1114 HydrophobicContact CG1-CG 3.8Å; V1109-M1117 HydrophobicContact CG1-CE 3.97Å; V1109-M1117 HydrophobicContact CG2-CE 4.32Å
1110S85.3Confident78.6Confident42 Ų4265.2 Ų65.229%0.29435%0.353SS..  trans-92.9163.717950.30000111.1K1094 S1112 V1113 L1114K1094-S1110 PolarHBondContact NZ-OG 3.28Å; S1110-S1112 PolarHBondContact O-N 2.85Å; S1110-S1112 VanDerWaalsContact O-N 3.13Å; S1110-S1112 PolarHBondContact OG-OG 2.89Å; S1110-V1113 PolarHBondContact O-N 2.82Å; S1110-V1113 WeakPolarHBondContact OG-CG2 3.35Å; S1110-L1114 PolarHBondContact O-N 3.24Å; S1110-L1114 VanDerWaalsContact O-N 3.07Å
1111R84.5Confident80Confident108 Ų10863.9 Ų63.941%0.40833%0.331SS..Hα-helixtrans-50.9-37.6177.1-67.3178.6170827.6113.7G1041 I1042 E1046 L1050 R1115G1041-R1111 PolarHBondContact O-NH2 3.23Å; I1042-R1111 HydrophobicContact CD1-CG 3.72Å; I1042-R1111 HydrophobicContact CG1-CG 3.94Å; E1046-R1111 IonicContact OE1-CZ 3.23Å; E1046-R1111 VanDerWaalsContact OE1-CZ 3.24Å; E1046-R1111 IonicContact OE1-NE 2.9Å; E1046-R1111 PolarHBondContact OE1-NE 3.12Å; E1046-R1111 IonicContact OE1-NH2 2.67Å; E1046-R1111 PolarHBondContact OE1-NH2 2.88Å; E1046-R1111 IonicContact OE2-NH2 3.24Å; E1046-R1111 PolarHBondContact OE2-NH2 2.89Å; L1050-R1111 HydrophobicContact CD1-CB 4.19Å; L1050-R1111 HydrophobicContact CD1-CG 4.05Å; R1111-R1115 WeakPolarHBondContact O-CG 3.42Å; R1111-R1115 PolarHBondContact O-N 3.06Å
1112S79.4Confident81.6Confident83 Ų8362.1 Ų62.158%0.5831%0.313SS*.Hα-helixtrans-64.1-41.1177.550.70000113.1S1110 R1115 S1116S1110-S1112 PolarHBondContact O-N 2.85Å; S1110-S1112 VanDerWaalsContact O-N 3.13Å; S1110-S1112 PolarHBondContact OG-OG 2.89Å; S1112-R1115 PolarHBondContact O-N 3.31Å; S1112-S1116 PolarHBondContact O-N 2.59Å
1113V82.3Confident82.9Confident6 Ų658.8 Ų58.84%0.03629%0.286CS..Hα-helixtrans-76.8-32.1-178.4-179.10000110.9P1090 F1091 V1109 S1110 R1115 S1116 M1117P1090-V1113 HydrophobicContact CB-CG1 4.37Å; P1090-V1113 HydrophobicContact CB-CG2 3.89Å; F1091-V1113 HydrophobicContact CB-CG1 4.07Å; F1091-V1113 HydrophobicContact CD2-CG1 4.45Å; V1109-V1113 HydrophobicContact CG1-CB 3.59Å; V1109-V1113 HydrophobicContact CG1-CG1 3.6Å; S1110-V1113 PolarHBondContact O-N 2.82Å; S1110-V1113 WeakPolarHBondContact OG-CG2 3.35Å; V1113-R1115 VanDerWaalsContact C-N 3.32Å; V1113-R1115 PolarHBondContact O-N 2.81Å; V1113-S1116 PolarHBondContact O-N 3.05Å; V1113-S1116 PolarHBondContact O-OG 3.23Å; V1113-M1117 HydrophobicContact CG1-CE 3.76Å; V1113-M1117 WeakPolarHBondContact O-CG 3.44Å; V1113-M1117 PolarHBondContact O-N 2.87Å
1114L83.5Confident83.7Confident0 Ų054.6 Ų54.60%026%0.26CS..Hα-helixtrans-62.8-37.9172.5-68172000112.2F1036 L1038 I1042 A1047 L1050 I1051 V1109 S1110 S1116 M1117F1036-L1114 HydrophobicContact CE2-CD2 3.8Å; F1036-L1114 HydrophobicContact CZ-CD2 4.28Å; L1038-L1114 HydrophobicContact CD2-CD1 4.09Å; L1038-L1114 HydrophobicContact CD2-CD2 4.24Å; I1042-L1114 HydrophobicContact CD1-CD1 4.11Å; I1042-L1114 HydrophobicContact CG2-CD1 4.19Å; A1047-L1114 HydrophobicContact CB-CD1 4.17Å; L1050-L1114 HydrophobicContact CB-CB 3.97Å; L1050-L1114 HydrophobicContact CD1-CB 4.46Å; L1050-L1114 HydrophobicContact CD1-CD1 4.1Å; I1051-L1114 HydrophobicContact CD1-CD2 4.17Å; I1051-L1114 HydrophobicContact CG1-CB 4.46Å; I1051-L1114 HydrophobicContact CG1-CD2 4.17Å; V1109-L1114 HydrophobicContact CB-CD2 4.46Å; V1109-L1114 HydrophobicContact CG1-CD2 3.76Å; V1109-L1114 HydrophobicContact CG1-CG 3.8Å; S1110-L1114 PolarHBondContact O-N 3.24Å; S1110-L1114 VanDerWaalsContact O-N 3.07Å; L1114-S1116 VanDerWaalsContact C-N 3.32Å; L1114-S1116 PolarHBondContact O-N 3.16Å; L1114-M1117 HydrophobicContact CD2-SD 4.29Å; L1114-M1117 PolarHBondContact O-N 2.99Å
1115R81.3Confident84.2Confident144 Ų14453.3 Ų53.354%0.54326%0.255SS..Hα-helixtrans-70.8-24.1177.1-73.1-178.3178.4-178-0.4114.2L1050 R1111 S1112 V1113 M1117L1050-R1115 HydrophobicContact CB-CG 4.37Å; L1050-R1115 HydrophobicContact CD2-CG 3.76Å; L1050-R1115 VanDerWaalsContact CD2-NE 3.3Å; R1111-R1115 WeakPolarHBondContact O-CG 3.42Å; R1111-R1115 PolarHBondContact O-N 3.06Å; S1112-R1115 PolarHBondContact O-N 3.31Å; V1113-R1115 VanDerWaalsContact C-N 3.32Å; V1113-R1115 PolarHBondContact O-N 2.81Å; R1115-M1117 VanDerWaalsContact C-N 3.34Å
1116S81.1Confident84.5Confident42 Ų4256.4 Ų56.429%0.29426%0.261SS..THydrogen-bonded Turntrans-87.5-6.2178.466.30000112.8S1112 V1113 L1114S1112-S1116 PolarHBondContact O-N 2.59Å; V1113-S1116 PolarHBondContact O-N 3.05Å; V1113-S1116 PolarHBondContact O-OG 3.23Å; L1114-S1116 VanDerWaalsContact C-N 3.32Å; L1114-S1116 PolarHBondContact O-N 3.16Å
1117M82.9Confident84.8Confident1 Ų155.5 Ų55.51%0.00525%0.252CS..SBendtrans-85.6133.4178.8-73.4168.5177.800110.7F1036 F1091 V1109 V1113 L1114 R1115 V1122F1036-M1117 HydrophobicContact CE1-CE 4.49Å; F1036-M1117 HydrophobicContact CE1-SD 4.37Å; F1036-M1117 HydrophobicContact CZ-SD 4.09Å; F1091-M1117 HydrophobicContact CB-CE 4.12Å; F1091-M1117 HydrophobicContact CD2-CE 3.19Å; F1091-M1117 HydrophobicContact CE2-CE 3.71Å; F1091-M1117 HydrophobicContact CG-CE 3.88Å; V1109-M1117 HydrophobicContact CG1-CE 3.97Å; V1109-M1117 HydrophobicContact CG2-CE 4.32Å; V1113-M1117 HydrophobicContact CG1-CE 3.76Å; V1113-M1117 WeakPolarHBondContact O-CG 3.44Å; V1113-M1117 PolarHBondContact O-N 2.87Å; L1114-M1117 HydrophobicContact CD2-SD 4.29Å; L1114-M1117 PolarHBondContact O-N 2.99Å; R1115-M1117 VanDerWaalsContact C-N 3.34Å; M1117-V1122 HydrophobicContact CB-CG2 4.12Å; M1117-V1122 HydrophobicContact SD-CG2 4.22Å
1118S80.9Confident84.8Confident38 Ų3857.9 Ų57.927%0.26627%0.267SS..  trans-70.9137.5167.3171.30000110.1R1120 D1121S1118-R1120 PolarHBondContact O-N 3.06Å; S1118-R1120 VanDerWaalsContact O-N 3.15Å; S1118-R1120 PolarHBondContact OG-N 3.01Å; S1118-D1121 WeakPolarHBondContact CB-OD2 3.48Å; S1118-D1121 PolarHBondContact O-N 2.96Å
1119R83.4Confident84.5Confident97 Ų9761 Ų6137%0.36628%0.281SS..G310 helixtrans-56.4-29.9174.1-178.358179.8109.22.3113.1I1051 D1052 D1121 V1122I1051-R1119 HydrophobicContact CG2-CB 4.32Å; D1052-R1119 WeakPolarHBondContact OD1-CD 3.28Å; D1052-R1119 IonicContact OD1-NE 2.63Å; D1052-R1119 PolarHBondContact OD1-NE 2.76Å; D1052-R1119 VanDerWaalsContact OD1-NE 3.11Å; R1119-D1121 PolarHBondContact O-N 3.48Å; R1119-V1122 PolarHBondContact NH1-O 2.94Å; R1119-V1122 PolarHBondContact O-N 2.57Å
1120R80.7Confident84.4Confident233 Ų23363 Ų6388%0.87929%0.294SS*.G310 helixtrans-65.8-27.6179.4-62.7-175.8-178.6-1781112.6S1118S1118-R1120 PolarHBondContact O-N 3.06Å; S1118-R1120 VanDerWaalsContact O-N 3.15Å; S1118-R1120 PolarHBondContact OG-N 3.01Å
1121D84.3Confident84.4Confident31 Ų3163 Ų6317%0.16629%0.29CS..G310 helixtrans-93.2-2.4-174.3-54.1-22.6000112.3S1118 R1119 R1137 S1138S1118-D1121 WeakPolarHBondContact CB-OD2 3.48Å; S1118-D1121 PolarHBondContact O-N 2.96Å; R1119-D1121 PolarHBondContact O-N 3.48Å; D1121-R1137 CarbonylContact O-C 3.43Å; D1121-R1137 WeakPolarHBondContact O-CA 3.23Å; D1121-S1138 PolarHBondContact O-N 2.92Å
1122V88.9Confident84.4Confident3 Ų366.2 Ų66.22%0.01831%0.307CS..EExtended strand (participates in β ladder)trans-115.8123.7-173.5-176.70000111.9F1036 I1051 M1117 R1119 I1124 F1136F1036-V1122 HydrophobicContact CE1-CG1 4.15Å; F1036-V1122 HydrophobicContact CZ-CG1 4.08Å; I1051-V1122 HydrophobicContact CD1-CG1 4.22Å; I1051-V1122 HydrophobicContact CG2-CB 4.28Å; I1051-V1122 HydrophobicContact CG2-CG2 4.23Å; M1117-V1122 HydrophobicContact CB-CG2 4.12Å; M1117-V1122 HydrophobicContact SD-CG2 4.22Å; R1119-V1122 PolarHBondContact NH1-O 2.94Å; R1119-V1122 PolarHBondContact O-N 2.57Å; V1122-I1124 HydrophobicContact CG1-CD1 4.4Å; V1122-I1124 HydrophobicContact CG1-CG1 3.99Å; V1122-F1136 CarbonylContact C-O 3.38Å; V1122-F1136 VanDerWaalsContact CA-O 3.31Å; V1122-F1136 WeakPolarHBondContact CA-O 3.42Å
1123L89.6Confident85Confident35 Ų3565.5 Ų65.518%0.18329%0.292CS..EExtended strand (participates in β ladder)trans-106137172.9-65.4165.3000109.8L1033 F1136 I1145 M1154L1033-L1123 HydrophobicContact CD1-CD1 3.93Å; L1033-L1123 HydrophobicContact CD2-CD1 3.82Å; L1123-F1136 HydrophobicContact CB-CB 4.29Å; L1123-F1136 PolarHBondContact N-O 3.12Å; L1123-F1136 PolarHBondContact O-N 3.1Å; L1123-I1145 HydrophobicContact CD1-CB 4.26Å; L1123-I1145 HydrophobicContact CD1-CG2 3.75Å; L1123-M1154 HydrophobicContact CB-CE 4.26Å; L1123-M1154 HydrophobicContact CD1-CE 4.37Å
1124I90.6Very high85.4Confident10 Ų1068 Ų685%0.05130%0.303CS..EExtended strand (participates in β ladder)trans-129.8117.9-173.1-53.4174.1000109.7L1048 I1051 V1122 R1126 W1133 E1134 Y1135 M1147L1048-I1124 HydrophobicContact CD2-CD1 3.35Å; L1048-I1124 HydrophobicContact CG-CD1 4.31Å; I1051-I1124 HydrophobicContact CD1-CD1 4.47Å; V1122-I1124 HydrophobicContact CG1-CD1 4.4Å; V1122-I1124 HydrophobicContact CG1-CG1 3.99Å; I1124-R1126 HydrophobicContact CG2-CG 4.03Å; I1124-W1133 HydrophobicContact CG2-CE3 4.1Å; I1124-E1134 CarbonylContact C-O 3.56Å; I1124-E1134 WeakPolarHBondContact CA-O 3.37Å; I1124-Y1135 HydrophobicContact CD1-CD1 4.06Å; I1124-Y1135 HydrophobicContact CD1-CE1 3.97Å; I1124-Y1135 HydrophobicContact CG1-CD1 3.82Å; I1124-Y1135 HydrophobicContact CG1-CE1 4.13Å; I1124-Y1135 HydrophobicContact CG2-CD1 4.11Å; I1124-Y1135 HydrophobicContact CG2-CE1 3.92Å; I1124-M1147 VanDerWaalsContact O-CE 3.26Å; I1124-M1147 WeakPolarHBondContact O-CE 3.27Å
1125K90.9Very high85.7Confident39 Ų3968.2 Ų68.217%0.1730%0.304CS..EExtended strand (participates in β ladder)trans-86.2113.9171.3-58.8-169.8-173.7165.80109.7W1127 W1133 E1134 F1136 M1147 F1152K1125-W1127 PolarHBondContact O-N 2.8Å; K1125-W1133 VanDerWaalsContact O-CA 3.27Å; K1125-W1133 WeakPolarHBondContact O-CA 3.5Å; K1125-W1133 WeakPolarHBondContact O-CB 3.45Å; K1125-E1134 HydrophobicContact CB-CB 4.13Å; K1125-E1134 WeakPolarHBondContact CD-OE2 3.39Å; K1125-E1134 PolarHBondContact N-O 3.46Å; K1125-E1134 IonicContact NZ-OE2 3.99Å; K1125-E1134 PolarHBondContact O-N 2.93Å; K1125-E1134 VanDerWaalsContact O-N 3.08Å; K1125-F1136 HydrophobicContact CD-CE2 3.91Å; K1125-F1136 HydrophobicContact CD-CZ 4.4Å; K1125-F1136 HydrophobicContact CG-CD2 4.48Å; K1125-F1136 HydrophobicContact CG-CE2 3.86Å; K1125-M1147 HydrophobicContact CD-SD 4.49Å; K1125-M1147 HydrophobicContact CG-CE 4.49Å; K1125-M1147 HydrophobicContact CG-SD 3.64Å; K1125-F1152 HydrophobicContact CB-CB 4.26Å; K1125-F1152 HydrophobicContact CB-CD1 4.42Å; K1125-F1152 HydrophobicContact CB-CG 4.19Å; K1125-F1152 HydrophobicContact CD-CB 3.77Å; K1125-F1152 WeakPolarHBondContact CE-O 3.44Å; K1125-F1152 HydrophobicContact CG-CB 3.87Å; K1125-F1152 HydrophobicContact CG-CG 4.31Å
1126R88.4Confident86.2Confident119 Ų11961.6 Ų61.645%0.44928%0.279SS..  trans-98.269-175.4-63.7-177.9179.2176.3-2110.9I1124 W1133 F1152I1124-R1126 HydrophobicContact CG2-CG 4.03Å; R1126-W1133 HydrophobicContact CB-CD2 4.39Å; R1126-W1133 HydrophobicContact CB-CZ2 4.42Å; R1126-W1133 HydrophobicContact CG-CD2 4.01Å; R1126-W1133 HydrophobicContact CG-CE3 4.26Å; R1126-W1133 HydrophobicContact CG-CH2 4.48Å; R1126-W1133 HydrophobicContact CG-CZ2 4.17Å; R1126-F1152 HydrophobicContact CB-CZ 4.45Å; R1126-F1152 WeakPolarHBondContact O-CZ 3.44Å
1127W87.2Confident86.6Confident22 Ų2260.8 Ų60.88%0.08327%0.27CS..PPolyproline II helixtrans-62.6144.5178.6-69.4113.5000112.1M860 F880 K1125 L1131 F1152M860-W1127 HydrophobicContact SD-CZ3 4.13Å; F880-W1127 HydrophobicContact CE2-CZ3 4.28Å; F880-W1127 HydrophobicContact CZ-CE3 4.27Å; F880-W1127 AromaticContact CZ-CH2 3.96Å; F880-W1127 HydrophobicContact CZ-CH2 3.96Å; F880-W1127 HydrophobicContact CZ-CZ2 4.39Å; F880-W1127 AromaticContact CZ-CZ3 3.89Å; F880-W1127 HydrophobicContact CZ-CZ3 3.89Å; K1125-W1127 PolarHBondContact O-N 2.8Å; W1127-L1131 HydrophobicContact CB-CB 3.56Å; W1127-L1131 HydrophobicContact CB-CD1 4.01Å; W1127-L1131 HydrophobicContact CB-CG 4.45Å; W1127-L1131 HydrophobicContact CD2-CD1 4.1Å; W1127-L1131 HydrophobicContact CE3-CD1 4.22Å; W1127-L1131 HydrophobicContact CG-CB 4.24Å; W1127-L1131 HydrophobicContact CG-CD1 4.03Å; W1127-F1152 AromaticContact CD2-CD2 3.83Å; W1127-F1152 HydrophobicContact CD2-CD2 3.83Å; W1127-F1152 AromaticContact CD2-CE2 3.98Å; W1127-F1152 HydrophobicContact CD2-CE2 3.98Å; W1127-F1152 AromaticContact CE2-CD2 3.84Å; W1127-F1152 AromaticContact CE3-CD2 3.79Å; W1127-F1152 HydrophobicContact CE3-CD2 3.79Å; W1127-F1152 AromaticContact CE3-CE2 3.78Å; W1127-F1152 HydrophobicContact CE3-CE2 3.78Å; W1127-F1152 AromaticContact CH2-CD2 3.79Å; W1127-F1152 HydrophobicContact CH2-CD2 3.79Å; W1127-F1152 HydrophobicContact CZ2-CB 4.4Å; W1127-F1152 AromaticContact CZ2-CD2 3.83Å; W1127-F1152 HydrophobicContact CZ2-CD2 3.83Å; W1127-F1152 AromaticContact CZ3-CD2 3.77Å; W1127-F1152 HydrophobicContact CZ3-CD2 3.77Å; W1127-F1152 HydrophobicContact CZ3-CE2 4.08Å
1128P84.1Confident86.9Confident52 Ų5261.2 Ų61.234%0.33827%0.273SS..PPolyproline II helixtrans-65.2151172.3-6.717.1000111.6L863 L1131L863-P1128 HydrophobicContact CD2-CB 4.37Å; L863-P1128 HydrophobicContact CD2-CG 3.83Å; P1128-L1131 PolarHBondContact O-N 2.83Å
1129K78.6Confident87.2Confident174 Ų17461.5 Ų61.576%0.75727%0.271SS*.THydrogen-bonded Turntrans-55.2134.9169.1-67.8-175.8179.9178.80109.3
1130P84.6Confident87.3Confident45 Ų4560.6 Ų60.629%0.29227%0.273SS..THydrogen-bonded Turncis-92.44.518.735.8-38.2000117.1L863 A866 R873 L877L863-P1130 HydrophobicContact CD1-CG 4.45Å; A866-P1130 HydrophobicContact CB-CG 4.41Å; R873-P1130 HydrophobicContact CG-CG 4.47Å; L877-P1130 HydrophobicContact CD1-CG 4.23Å; L877-P1130 HydrophobicContact CD2-CG 4.12Å
1131L85.3Confident87.1Confident40 Ų4053.2 Ų53.221%0.20926%0.255CS..SBendtrans-75.4153.8178-67.5172.3000111.8L863 L877 F880 W1127 P1128L863-L1131 HydrophobicContact CD1-CD1 3.63Å; L863-L1131 HydrophobicContact CD1-CG 3.75Å; L863-L1131 HydrophobicContact CD2-CD1 4.01Å; L863-L1131 HydrophobicContact CG-CD1 4.49Å; L877-L1131 HydrophobicContact CD2-CD2 3.94Å; L877-L1131 HydrophobicContact CD2-CG 4.32Å; F880-L1131 HydrophobicContact CD1-CD1 4.26Å; F880-L1131 HydrophobicContact CE1-CD1 3.63Å; F880-L1131 HydrophobicContact CE2-CD1 4.35Å; F880-L1131 HydrophobicContact CZ-CD1 3.69Å; W1127-L1131 HydrophobicContact CB-CB 3.56Å; W1127-L1131 HydrophobicContact CB-CD1 4.01Å; W1127-L1131 HydrophobicContact CB-CG 4.45Å; W1127-L1131 HydrophobicContact CD2-CD1 4.1Å; W1127-L1131 HydrophobicContact CE3-CD1 4.22Å; W1127-L1131 HydrophobicContact CG-CB 4.24Å; W1127-L1131 HydrophobicContact CG-CD1 4.03Å; P1128-L1131 PolarHBondContact O-N 2.83Å
1132K84.9Confident86.9Confident176 Ų17659.6 Ų59.677%0.76529%0.29SS*.PPolyproline II helixtrans-90.9158.5174.8-66.1-175.6179.3-178.50110.6
1133W90.5Very high86.8Confident68 Ų6861.7 Ų61.726%0.25830%0.303SS..PPolyproline II helixtrans-73.4148.2173.3-65.13.8000111.4D1044 L1048 I1124 K1125 R1126 Y1135D1044-W1133 HydrophobicContact CB-CD2 3.99Å; D1044-W1133 HydrophobicContact CB-CE3 3.64Å; D1044-W1133 HydrophobicContact CB-CZ3 3.87Å; L1048-W1133 HydrophobicContact CD1-CE3 4.41Å; L1048-W1133 HydrophobicContact CD1-CH2 3.63Å; L1048-W1133 HydrophobicContact CD1-CZ3 3.26Å; L1048-W1133 HydrophobicContact CG-CZ3 3.84Å; I1124-W1133 HydrophobicContact CG2-CE3 4.1Å; K1125-W1133 VanDerWaalsContact O-CA 3.27Å; K1125-W1133 WeakPolarHBondContact O-CA 3.5Å; K1125-W1133 WeakPolarHBondContact O-CB 3.45Å; R1126-W1133 HydrophobicContact CB-CD2 4.39Å; R1126-W1133 HydrophobicContact CB-CZ2 4.42Å; R1126-W1133 HydrophobicContact CG-CD2 4.01Å; R1126-W1133 HydrophobicContact CG-CE3 4.26Å; R1126-W1133 HydrophobicContact CG-CH2 4.48Å; R1126-W1133 HydrophobicContact CG-CZ2 4.17Å; W1133-Y1135 HydrophobicContact CB-CE2 4.04Å
1134E90.9Very high86.8Confident60 Ų6062.8 Ų62.828%0.2831%0.313SS..EExtended strand (participates in β ladder)trans-115.3138.5177.3-57.8177.7173.300110.1I1124 K1125 F1136I1124-E1134 CarbonylContact C-O 3.56Å; I1124-E1134 WeakPolarHBondContact CA-O 3.37Å; K1125-E1134 HydrophobicContact CB-CB 4.13Å; K1125-E1134 WeakPolarHBondContact CD-OE2 3.39Å; K1125-E1134 PolarHBondContact N-O 3.46Å; K1125-E1134 IonicContact NZ-OE2 3.99Å; K1125-E1134 PolarHBondContact O-N 2.93Å; K1125-E1134 VanDerWaalsContact O-N 3.08Å; E1134-F1136 HydrophobicContact CB-CE2 3.59Å; E1134-F1136 HydrophobicContact CB-CZ 4.07Å
1135Y91.3Very high86.9Confident4 Ų463.4 Ų63.42%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-119.5136.4-175.4-58.1-99000110.9Q1035 F1036 L1038 D1044 A1047 I1051 I1124 W1133Q1035-Y1135 WeakPolarHBondContact CA-O 3.43Å; Q1035-Y1135 WeakPolarHBondContact CG-O 3.29Å; F1036-Y1135 VanDerWaalsContact CE2-CB 3.49Å; F1036-Y1135 HydrophobicContact CE2-CD1 4.37Å; F1036-Y1135 HydrophobicContact CE2-CG 4.03Å; F1036-Y1135 VanDerWaalsContact CZ-CB 3.41Å; F1036-Y1135 HydrophobicContact CZ-CD1 4.27Å; F1036-Y1135 HydrophobicContact CZ-CG 4.15Å; F1036-Y1135 PolarHBondContact N-O 2.92Å; L1038-Y1135 HydrophobicContact CD1-CD2 4.46Å; L1038-Y1135 HydrophobicContact CD1-CE2 3.65Å; L1038-Y1135 HydrophobicContact CD2-CD2 4.25Å; L1038-Y1135 HydrophobicContact CD2-CE2 4.14Å; L1038-Y1135 HydrophobicContact CG-CD2 4.13Å; L1038-Y1135 HydrophobicContact CG-CE2 3.81Å; D1044-Y1135 WeakPolarHBondContact CA-OH 3.44Å; D1044-Y1135 WeakPolarHBondContact CB-OH 3.43Å; D1044-Y1135 WeakPolarHBondContact OD1-CE2 3.18Å; D1044-Y1135 PolarHBondContact OD1-OH 2.89Å; A1047-Y1135 HydrophobicContact CB-CE1 4.28Å; I1051-Y1135 HydrophobicContact CD1-CD1 4.45Å; I1124-Y1135 HydrophobicContact CD1-CD1 4.06Å; I1124-Y1135 HydrophobicContact CD1-CE1 3.97Å; I1124-Y1135 HydrophobicContact CG1-CD1 3.82Å; I1124-Y1135 HydrophobicContact CG1-CE1 4.13Å; I1124-Y1135 HydrophobicContact CG2-CD1 4.11Å; I1124-Y1135 HydrophobicContact CG2-CE1 3.92Å; W1133-Y1135 HydrophobicContact CB-CE2 4.04Å
1136F91.7Very high86.9Confident4 Ų464 Ų642%0.01832%0.323CS..EExtended strand (participates in β ladder)trans-134138.5-177.4-59.1-93.7000109.7I1022 V1034 Q1035 V1122 L1123 K1125 E1134 M1154I1022-F1136 HydrophobicContact CD1-CD1 3.45Å; I1022-F1136 VanDerWaalsContact CD1-CD1 3.45Å; I1022-F1136 HydrophobicContact CD1-CE1 3.56Å; I1022-F1136 HydrophobicContact CG1-CE1 4.3Å; V1034-F1136 WeakPolarHBondContact O-CA 3.4Å; Q1035-F1136 HydrophobicContact CB-CD1 3.75Å; Q1035-F1136 HydrophobicContact CB-CE1 3.59Å; Q1035-F1136 HydrophobicContact CB-CZ 4.41Å; Q1035-F1136 HydrophobicContact CG-CD1 4.11Å; Q1035-F1136 HydrophobicContact CG-CE1 3.73Å; Q1035-F1136 HydrophobicContact CG-CZ 4.05Å; V1122-F1136 CarbonylContact C-O 3.38Å; V1122-F1136 VanDerWaalsContact CA-O 3.31Å; V1122-F1136 WeakPolarHBondContact CA-O 3.42Å; L1123-F1136 HydrophobicContact CB-CB 4.29Å; L1123-F1136 PolarHBondContact N-O 3.12Å; L1123-F1136 PolarHBondContact O-N 3.1Å; K1125-F1136 HydrophobicContact CD-CE2 3.91Å; K1125-F1136 HydrophobicContact CD-CZ 4.4Å; K1125-F1136 HydrophobicContact CG-CD2 4.48Å; K1125-F1136 HydrophobicContact CG-CE2 3.86Å; E1134-F1136 HydrophobicContact CB-CE2 3.59Å; E1134-F1136 HydrophobicContact CB-CZ 4.07Å; F1136-M1154 HydrophobicContact CB-CE 4.22Å; F1136-M1154 HydrophobicContact CD1-CE 4.22Å; F1136-M1154 HydrophobicContact CD2-CE 3.5Å; F1136-M1154 HydrophobicContact CE1-CE 4.49Å; F1136-M1154 HydrophobicContact CE2-CE 3.85Å; F1136-M1154 HydrophobicContact CG-CE 3.71Å; F1136-M1154 HydrophobicContact CZ-CE 4.34Å
1137R89.4Confident87Confident25 Ų2560 Ų609%0.09431%0.31CS..EExtended strand (participates in β ladder)trans-111.8133.9174.2179.5169.6175.2175.80.3110.6L1033 V1034 F1036 D1089 F1091 D1121L1033-R1137 WeakPolarHBondContact CA-O 3.23Å; V1034-R1137 PolarHBondContact N-O 3.36Å; V1034-R1137 PolarHBondContact O-N 3.17Å; F1036-R1137 HydrophobicContact CD1-CB 4.08Å; F1036-R1137 HydrophobicContact CE1-CB 4.07Å; D1089-R1137 IonicContact OD1-CZ 2.87Å; D1089-R1137 IonicContact OD1-NH1 3.15Å; D1089-R1137 PolarHBondContact OD1-NH1 2.85Å; D1089-R1137 IonicContact OD1-NH2 3.45Å; D1089-R1137 PolarHBondContact OD1-NH2 2.85Å; D1089-R1137 VanDerWaalsContact OD1-NH2 3.17Å; D1089-R1137 IonicContact OD2-CZ 3.67Å; D1089-R1137 IonicContact OD2-NH1 2.77Å; D1089-R1137 PolarHBondContact OD2-NH1 2.92Å; D1089-R1137 IonicContact OD2-NH2 2.74Å; D1089-R1137 PolarHBondContact OD2-NH2 2.93Å; F1091-R1137 HydrophobicContact CE1-CB 4.15Å; F1091-R1137 HydrophobicContact CE1-CG 4.29Å; F1091-R1137 HydrophobicContact CE2-CB 4.44Å; F1091-R1137 HydrophobicContact CZ-CB 3.92Å; F1091-R1137 HydrophobicContact CZ-CG 4.49Å; D1121-R1137 CarbonylContact O-C 3.43Å; D1121-R1137 WeakPolarHBondContact O-CA 3.23Å
1138S89.7Confident87.1Confident11 Ų1158.9 Ų58.98%0.07731%0.306CS..EExtended strand (participates in β ladder)trans-77.1129.7167.8-1710000110.4P1032 D1121 L1140P1032-S1138 WeakPolarHBondContact O-CA 3.47Å; D1121-S1138 PolarHBondContact O-N 2.92Å; S1138-L1140 PolarHBondContact OG-N 2.82Å; S1138-L1140 PolarHBondContact OG-O 3.43Å
1139L86.8Confident87.2Confident43 Ų4358.7 Ų58.723%0.22531%0.305CS..SBendtrans-94.4-13.5175.5-64.9-177.9000112.7Y998 P1032 V1034 F1091 M1095Y998-L1139 WeakPolarHBondContact O-CD1 3.41Å; P1032-L1139 PolarHBondContact O-N 3.13Å; V1034-L1139 HydrophobicContact CG2-CD1 3.55Å; V1034-L1139 HydrophobicContact CG2-CG 4.24Å; F1091-L1139 HydrophobicContact CD1-CD2 4.29Å; F1091-L1139 HydrophobicContact CE1-CD2 4.06Å; M1095-L1139 HydrophobicContact CE-CD1 3.95Å; M1095-L1139 HydrophobicContact CE-CD2 3.63Å; M1095-L1139 HydrophobicContact CE-CG 4.48Å; M1095-L1139 HydrophobicContact SD-CD1 4.01Å; M1095-L1139 HydrophobicContact SD-CD2 4.25Å
1140L85.3Confident87.5Confident78 Ų7852.1 Ų52.141%0.40828%0.28SS..  trans-125.188.2174.4-65.2178.5000107.7Y998 P1032 S1138 D1142 V1143Y998-L1140 HydrophobicContact CE1-CD1 3.91Å; P1032-L1140 HydrophobicContact CB-CB 3.98Å; P1032-L1140 HydrophobicContact CB-CD1 3.91Å; P1032-L1140 HydrophobicContact CB-CG 3.94Å; P1032-L1140 HydrophobicContact CG-CB 4.01Å; P1032-L1140 HydrophobicContact CG-CD1 4.28Å; P1032-L1140 HydrophobicContact CG-CG 4.44Å; S1138-L1140 PolarHBondContact OG-N 2.82Å; S1138-L1140 PolarHBondContact OG-O 3.43Å; L1140-D1142 PolarHBondContact O-N 3.32Å; L1140-V1143 HydrophobicContact CB-CB 4.45Å; L1140-V1143 HydrophobicContact CB-CG2 3.97Å; L1140-V1143 HydrophobicContact CD1-CG2 4.4Å; L1140-V1143 PolarHBondContact O-N 2.89Å
1141P76.2Confident87.7Confident78 Ų7850.1 Ų50.151%0.50627%0.267SS..THydrogen-bonded Turntrans-60.4-25.2-178.2-24.334.7000113.8V1143P1141-V1143 PolarHBondContact O-N 2.88Å
1142D81.1Confident87.9Confident165 Ų16549.3 Ų49.388%0.88226%0.262SS*.THydrogen-bonded Turntrans-67.2-21.9176.8-62.7-31.4000112.8L1140 S1144L1140-D1142 PolarHBondContact O-N 3.32Å; D1142-S1144 PolarHBondContact O-N 3.02Å
1143V86.4Confident88.2Confident48 Ų4842.5 Ų42.529%0.29123%0.233SC..SBendtrans-86.4105.4174.6-176.90000108.6P1032 L1140 P1141 I1145P1032-V1143 HydrophobicContact CG-CB 4.24Å; P1032-V1143 HydrophobicContact CG-CG1 4.36Å; P1032-V1143 HydrophobicContact CG-CG2 4.46Å; L1140-V1143 HydrophobicContact CB-CB 4.45Å; L1140-V1143 HydrophobicContact CB-CG2 3.97Å; L1140-V1143 HydrophobicContact CD1-CG2 4.4Å; L1140-V1143 PolarHBondContact O-N 2.89Å; P1141-V1143 PolarHBondContact O-N 2.88Å; V1143-I1145 HydrophobicContact CG1-CG1 4.16Å; V1143-I1145 PolarHBondContact O-N 3.05Å
1144S89.3Confident88.3Confident58 Ų5839.5 Ų39.541%0.40622%0.222SC..  trans-69.9115177.658.90000111.2D1142 S1157D1142-S1144 PolarHBondContact O-N 3.02Å; S1144-S1157 PolarHBondContact O-N 2.84Å; S1144-S1157 PolarHBondContact O-OG 2.73Å
1145I92.1Very high88.4Confident22 Ų2236.7 Ų36.711%0.11321%0.208CC..EExtended strand (participates in β ladder)trans-117.3136.1178.8-58.7169.2000109.1L1031 P1032 L1033 L1123 V1143 M1154 F1155L1031-I1145 HydrophobicContact CB-CD1 4.27Å; L1031-I1145 HydrophobicContact CD1-CG2 4.14Å; L1031-I1145 HydrophobicContact CD2-CD1 4.16Å; L1031-I1145 HydrophobicContact CD2-CG1 4.26Å; P1032-I1145 HydrophobicContact CG-CD1 4Å; L1033-I1145 HydrophobicContact CD1-CD1 4.22Å; L1033-I1145 HydrophobicContact CD1-CG2 4.21Å; L1033-I1145 HydrophobicContact CD2-CD1 3.86Å; L1033-I1145 HydrophobicContact CG-CD1 3.84Å; L1123-I1145 HydrophobicContact CD1-CB 4.26Å; L1123-I1145 HydrophobicContact CD1-CG2 3.75Å; V1143-I1145 HydrophobicContact CG1-CG1 4.16Å; V1143-I1145 PolarHBondContact O-N 3.05Å; I1145-M1154 HydrophobicContact CG2-CB 4.46Å; I1145-F1155 WeakPolarHBondContact CA-O 3.35Å; I1145-F1155 WeakPolarHBondContact CG2-O 3.09Å
1146T90.4Very high88.5Confident53 Ų5338.3 Ų38.333%0.32522%0.216SC..EExtended strand (participates in β ladder)trans-128.9156.2177.1-710000110.4M1154 F1155 S1157 Y1160T1146-M1154 CarbonylContact O-C 3.52Å; T1146-M1154 WeakPolarHBondContact O-CA 3.22Å; T1146-F1155 PolarHBondContact N-O 3.45Å; T1146-F1155 PolarHBondContact O-N 3.03Å; T1146-S1157 PolarHBondContact OG1-OG 3.32Å; T1146-Y1160 HydrophobicContact CG2-CD1 3.9Å; T1146-Y1160 HydrophobicContact CG2-CE1 4.25Å
1147M91.3Very high88.4Confident33 Ų3339 Ų3916%0.16322%0.221CC..EExtended strand (participates in β ladder)trans-126.6136.2-177.7-176.8-177.563.600110.1I1124 K1125 F1152 K1153 M1154I1124-M1147 VanDerWaalsContact O-CE 3.26Å; I1124-M1147 WeakPolarHBondContact O-CE 3.27Å; K1125-M1147 HydrophobicContact CD-SD 4.49Å; K1125-M1147 HydrophobicContact CG-CE 4.49Å; K1125-M1147 HydrophobicContact CG-SD 3.64Å; M1147-F1152 HydrophobicContact CE-CD1 3.62Å; M1147-F1152 HydrophobicContact CE-CE1 4.31Å; M1147-F1152 HydrophobicContact CG-CB 4.34Å; M1147-F1152 HydrophobicContact SD-CB 3.81Å; M1147-F1152 HydrophobicContact SD-CD1 3.9Å; M1147-F1152 HydrophobicContact SD-CG 4.33Å; M1147-K1153 WeakPolarHBondContact CA-O 3.35Å; M1147-K1153 WeakPolarHBondContact CG-O 3.37Å; M1147-M1154 HydrophobicContact CB-CG 4.29Å; M1147-M1154 HydrophobicContact CG-CG 4.16Å; M1147-M1154 HydrophobicContact SD-CE 4.25Å
1148C89.6Confident88.4Confident0 Ų044.4 Ų44.40%025%0.247CC..  trans-63.4129.2173.4-179.10000110S1150 C1151 F1152 K1153 F1155 Y1160 C1173C1148-S1150 PolarHBondContact O-N 2.94Å; C1148-C1151 VanDerWaalsContact CB-SG 3.54Å; C1148-C1151 VanDerWaalsContact SG-SG 3.67Å; C1148-F1152 VanDerWaalsContact O-CA 3.25Å; C1148-F1152 WeakPolarHBondContact O-CA 3.38Å; C1148-F1152 PolarHBondContact O-N 2.99Å; C1148-K1153 PolarHBondContact N-O 2.95Å; C1148-F1155 HydrophobicContact CB-CE2 4.27Å; C1148-Y1160 HydrophobicContact CB-CE2 4.3Å; C1148-C1173 VanDerWaalsContact SG-SG 3.65Å
1149P85.1Confident88.3Confident48 Ų4846.5 Ų46.531%0.31226%0.258SS..THydrogen-bonded Turntrans-70.1-13.2-176.427.1-35.2000114.1N1181P1149-N1181 WeakPolarHBondContact CB-OD1 3.41Å; P1149-N1181 WeakPolarHBondContact CG-OD1 3.23Å
1150S86Confident88.5Confident35 Ų3545.5 Ų45.525%0.24525%0.251CS..THydrogen-bonded Turntrans-101.7-53.1-178.9169.60000113.3C1148 R1175C1148-S1150 PolarHBondContact O-N 2.94Å; S1150-R1175 VanDerWaalsContact CB-CD 3.42Å
1151C87.8Confident88.6Confident3 Ų347.7 Ų47.72%0.0226%0.259CS..THydrogen-bonded Turntrans-94.7-6.1-17965.30000114.6W856 C1148 K1153 Y1172 C1173W856-C1151 HydrophobicContact CZ2-CB 4.23Å; C1148-C1151 VanDerWaalsContact CB-SG 3.54Å; C1148-C1151 VanDerWaalsContact SG-SG 3.67Å; C1151-K1153 HydrophobicContact CB-CG 4.5Å; C1151-K1153 PolarHBondContact O-N 2.75Å; C1151-Y1172 HydrophobicContact CB-CD1 4.14Å; C1151-C1173 HydrophobicContact CB-CB 3.59Å; C1151-C1173 VanDerWaalsContact SG-SG 3.66Å
1152F90.5Very high89.2Confident24 Ų2448.1 Ų48.111%0.10526%0.256CS..  trans56.820.2-179.5-54-60.4000115.2K1125 R1126 W1127 M1147 C1148K1125-F1152 HydrophobicContact CB-CB 4.26Å; K1125-F1152 HydrophobicContact CB-CD1 4.42Å; K1125-F1152 HydrophobicContact CB-CG 4.19Å; K1125-F1152 HydrophobicContact CD-CB 3.77Å; K1125-F1152 WeakPolarHBondContact CE-O 3.44Å; K1125-F1152 HydrophobicContact CG-CB 3.87Å; K1125-F1152 HydrophobicContact CG-CG 4.31Å; R1126-F1152 HydrophobicContact CB-CZ 4.45Å; R1126-F1152 WeakPolarHBondContact O-CZ 3.44Å; W1127-F1152 AromaticContact CD2-CD2 3.83Å; W1127-F1152 HydrophobicContact CD2-CD2 3.83Å; W1127-F1152 AromaticContact CD2-CE2 3.98Å; W1127-F1152 HydrophobicContact CD2-CE2 3.98Å; W1127-F1152 AromaticContact CE2-CD2 3.84Å; W1127-F1152 AromaticContact CE3-CD2 3.79Å; W1127-F1152 HydrophobicContact CE3-CD2 3.79Å; W1127-F1152 AromaticContact CE3-CE2 3.78Å; W1127-F1152 HydrophobicContact CE3-CE2 3.78Å; W1127-F1152 AromaticContact CH2-CD2 3.79Å; W1127-F1152 HydrophobicContact CH2-CD2 3.79Å; W1127-F1152 HydrophobicContact CZ2-CB 4.4Å; W1127-F1152 AromaticContact CZ2-CD2 3.83Å; W1127-F1152 HydrophobicContact CZ2-CD2 3.83Å; W1127-F1152 AromaticContact CZ3-CD2 3.77Å; W1127-F1152 HydrophobicContact CZ3-CD2 3.77Å; W1127-F1152 HydrophobicContact CZ3-CE2 4.08Å; M1147-F1152 HydrophobicContact CE-CD1 3.62Å; M1147-F1152 HydrophobicContact CE-CE1 4.31Å; M1147-F1152 HydrophobicContact CG-CB 4.34Å; M1147-F1152 HydrophobicContact SD-CB 3.81Å; M1147-F1152 HydrophobicContact SD-CD1 3.9Å; M1147-F1152 HydrophobicContact SD-CG 4.33Å; C1148-F1152 VanDerWaalsContact O-CA 3.25Å; C1148-F1152 WeakPolarHBondContact O-CA 3.38Å; C1148-F1152 PolarHBondContact O-N 2.99Å
1153K91.3Very high89.3Confident32 Ų3241.7 Ų41.714%0.13922%0.222CC..  trans-73.1140.9167.8-68.3-64.1-173.4177.80109.8E888 A1025 M1147 C1148 C1151 F1155 Y1172E888-K1153 IonicContact OE1-NZ 2.78Å; E888-K1153 PolarHBondContact OE1-NZ 3.45Å; E888-K1153 IonicContact OE2-NZ 3.05Å; E888-K1153 PolarHBondContact OE2-NZ 3.16Å; A1025-K1153 HydrophobicContact CB-CB 4Å; M1147-K1153 WeakPolarHBondContact CA-O 3.35Å; M1147-K1153 WeakPolarHBondContact CG-O 3.37Å; C1148-K1153 PolarHBondContact N-O 2.95Å; C1151-K1153 HydrophobicContact CB-CG 4.5Å; C1151-K1153 PolarHBondContact O-N 2.75Å; K1153-F1155 HydrophobicContact CB-CE2 3.86Å; K1153-F1155 HydrophobicContact CB-CZ 4.16Å; K1153-F1155 WeakPolarHBondContact O-CD2 3.31Å; K1153-F1155 WeakPolarHBondContact O-CE2 3.47Å; K1153-Y1172 WeakPolarHBondContact CE-OH 3.35Å; K1153-Y1172 HydrophobicContact CG-CD1 3.94Å; K1153-Y1172 HydrophobicContact CG-CD2 4.23Å; K1153-Y1172 HydrophobicContact CG-CE1 4.14Å; K1153-Y1172 HydrophobicContact CG-CE2 4.41Å; K1153-Y1172 HydrophobicContact CG-CG 3.98Å
1154M92.6Very high89.4Confident6 Ų640.8 Ų40.83%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-102.3146.2-174.5-67.2162.9169.400109.9I1022 A1025 L1031 L1033 L1123 F1136 I1145 T1146 M1147I1022-M1154 HydrophobicContact CG2-SD 3.59Å; I1022-M1154 VanDerWaalsContact CG2-SD 3.59Å; A1025-M1154 PolarHBondContact N-O 2.9Å; L1031-M1154 HydrophobicContact CD1-CB 3.73Å; L1033-M1154 HydrophobicContact CD1-CE 4.17Å; L1033-M1154 HydrophobicContact CD1-CG 4.4Å; L1033-M1154 HydrophobicContact CD1-SD 3.37Å; L1033-M1154 WeakPolarHBondContact CD1-SD 3.48Å; L1123-M1154 HydrophobicContact CB-CE 4.26Å; L1123-M1154 HydrophobicContact CD1-CE 4.37Å; F1136-M1154 HydrophobicContact CB-CE 4.22Å; F1136-M1154 HydrophobicContact CD1-CE 4.22Å; F1136-M1154 HydrophobicContact CD2-CE 3.5Å; F1136-M1154 HydrophobicContact CE1-CE 4.49Å; F1136-M1154 HydrophobicContact CE2-CE 3.85Å; F1136-M1154 HydrophobicContact CG-CE 3.71Å; F1136-M1154 HydrophobicContact CZ-CE 4.34Å; I1145-M1154 HydrophobicContact CG2-CB 4.46Å; T1146-M1154 CarbonylContact O-C 3.52Å; T1146-M1154 WeakPolarHBondContact O-CA 3.22Å; M1147-M1154 HydrophobicContact CB-CG 4.29Å; M1147-M1154 HydrophobicContact CG-CG 4.16Å; M1147-M1154 HydrophobicContact SD-CE 4.25Å
1155F92.9Very high89.2Confident0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-145156.2-174.2-60-95.8000109.4A1025 I1145 T1146 C1148 K1153 Y1160 P1171A1025-F1155 HydrophobicContact CB-CD1 3.89Å; A1025-F1155 HydrophobicContact CB-CE1 3.37Å; A1025-F1155 HydrophobicContact CB-CE2 4.18Å; A1025-F1155 HydrophobicContact CB-CG 4.48Å; A1025-F1155 HydrophobicContact CB-CZ 3.54Å; I1145-F1155 WeakPolarHBondContact CA-O 3.35Å; I1145-F1155 WeakPolarHBondContact CG2-O 3.09Å; T1146-F1155 PolarHBondContact N-O 3.45Å; T1146-F1155 PolarHBondContact O-N 3.03Å; C1148-F1155 HydrophobicContact CB-CE2 4.27Å; K1153-F1155 HydrophobicContact CB-CE2 3.86Å; K1153-F1155 HydrophobicContact CB-CZ 4.16Å; K1153-F1155 WeakPolarHBondContact O-CD2 3.31Å; K1153-F1155 WeakPolarHBondContact O-CE2 3.47Å; F1155-Y1160 HydrophobicContact CB-CD2 4.25Å; F1155-Y1160 HydrophobicContact CB-CG 4.22Å; F1155-Y1160 HydrophobicContact CD1-CD2 4.04Å; F1155-Y1160 AromaticContact CD2-CD2 3.48Å; F1155-Y1160 HydrophobicContact CD2-CD2 3.48Å; F1155-Y1160 VanDerWaalsContact CD2-CD2 3.48Å; F1155-Y1160 AromaticContact CD2-CE2 3.91Å; F1155-Y1160 HydrophobicContact CD2-CE2 3.91Å; F1155-Y1160 HydrophobicContact CD2-CG 4.12Å; F1155-Y1160 HydrophobicContact CE1-CD2 4.21Å; F1155-Y1160 AromaticContact CE2-CD2 3.71Å; F1155-Y1160 HydrophobicContact CE2-CD2 3.71Å; F1155-Y1160 AromaticContact CE2-CE2 3.74Å; F1155-Y1160 HydrophobicContact CE2-CE2 3.74Å; F1155-Y1160 AromaticContact CG-CD2 3.67Å; F1155-Y1160 HydrophobicContact CG-CD2 3.67Å; F1155-Y1160 HydrophobicContact CG-CG 4.14Å; F1155-Y1160 HydrophobicContact CZ-CD2 4.07Å; F1155-Y1160 HydrophobicContact CZ-CE2 4.19Å; F1155-P1171 HydrophobicContact CE1-CG 4.25Å; F1155-P1171 HydrophobicContact CZ-CG 4.42Å
1156H92.6Very high88.8Confident39 Ų3950 Ų5018%0.18126%0.255CS..EExtended strand (participates in β ladder)trans-61136.9155.8-68.1-70.9000109.2S1024 L1031 E1158 D1159 Y1160S1024-H1156 PolarHBondContact OG-N 2.8Å; L1031-H1156 VanDerWaalsContact CD2-CE1 3.49Å; L1031-H1156 WeakPolarHBondContact CD2-CE1 3.49Å; L1031-H1156 WeakPolarHBondContact CD2-NE2 3.41Å; H1156-E1158 VanDerWaalsContact C-N 3.35Å; H1156-E1158 PolarHBondContact O-N 3.11Å; H1156-D1159 HydrophobicContact CB-CB 4.27Å; H1156-D1159 PolarHBondContact O-N 2.96Å; H1156-Y1160 PolarHBondContact O-N 2.87Å
1157S89.7Confident88.4Confident17 Ų1752.5 Ų52.512%0.11926%0.263CS..Hα-helixtrans-57.9-45.3-173.8-66.40000112.6S1144 T1146 Y1160 E1161S1144-S1157 PolarHBondContact O-N 2.84Å; S1144-S1157 PolarHBondContact O-OG 2.73Å; T1146-S1157 PolarHBondContact OG1-OG 3.32Å; S1157-Y1160 PolarHBondContact O-N 3.26Å; S1157-E1161 WeakPolarHBondContact O-CG 3.48Å; S1157-E1161 PolarHBondContact O-N 3.07Å
1158E89.6Confident88.1Confident139 Ų13954.8 Ų54.865%0.6528%0.283SS*.Hα-helixtrans-63.4-45.4180-60.4-176.4173.700112.1H1156 Y1160 E1161 I1162H1156-E1158 VanDerWaalsContact C-N 3.35Å; H1156-E1158 PolarHBondContact O-N 3.11Å; E1158-Y1160 VanDerWaalsContact C-N 3.31Å; E1158-Y1160 PolarHBondContact O-N 3.31Å; E1158-E1161 PolarHBondContact O-N 2.84Å; E1158-I1162 VanDerWaalsContact O-CG1 3.31Å; E1158-I1162 WeakPolarHBondContact O-CG1 3.38Å; E1158-I1162 PolarHBondContact O-N 3Å
1159D88.8Confident88Confident55 Ų5556 Ų5629%0.29429%0.291SS..Hα-helixtrans-60-42.4176.6-75.7-5.6000111.9S1026 H1156 I1162 L1163S1026-D1159 WeakPolarHBondContact OG-CB 3.37Å; S1026-D1159 PolarHBondContact OG-OD2 3.45Å; H1156-D1159 HydrophobicContact CB-CB 4.27Å; H1156-D1159 PolarHBondContact O-N 2.96Å; D1159-I1162 PolarHBondContact O-N 3.13Å; D1159-L1163 WeakPolarHBondContact O-CB 3.2Å; D1159-L1163 WeakPolarHBondContact O-CD1 3.38Å; D1159-L1163 VanDerWaalsContact O-CG 3.22Å; D1159-L1163 WeakPolarHBondContact O-CG 3.27Å; D1159-L1163 PolarHBondContact O-N 2.86Å
1160Y89.9Confident88.1Confident22 Ų2253.8 Ų53.89%0.08628%0.276CS..Hα-helixtrans-65.3-42.6179.9-172.1-118.9000111.4T1146 C1148 F1155 H1156 S1157 E1158 L1163 L1164 C1170T1146-Y1160 HydrophobicContact CG2-CD1 3.9Å; T1146-Y1160 HydrophobicContact CG2-CE1 4.25Å; C1148-Y1160 HydrophobicContact CB-CE2 4.3Å; F1155-Y1160 HydrophobicContact CB-CD2 4.25Å; F1155-Y1160 HydrophobicContact CB-CG 4.22Å; F1155-Y1160 HydrophobicContact CD1-CD2 4.04Å; F1155-Y1160 AromaticContact CD2-CD2 3.48Å; F1155-Y1160 HydrophobicContact CD2-CD2 3.48Å; F1155-Y1160 VanDerWaalsContact CD2-CD2 3.48Å; F1155-Y1160 AromaticContact CD2-CE2 3.91Å; F1155-Y1160 HydrophobicContact CD2-CE2 3.91Å; F1155-Y1160 HydrophobicContact CD2-CG 4.12Å; F1155-Y1160 HydrophobicContact CE1-CD2 4.21Å; F1155-Y1160 AromaticContact CE2-CD2 3.71Å; F1155-Y1160 HydrophobicContact CE2-CD2 3.71Å; F1155-Y1160 AromaticContact CE2-CE2 3.74Å; F1155-Y1160 HydrophobicContact CE2-CE2 3.74Å; F1155-Y1160 AromaticContact CG-CD2 3.67Å; F1155-Y1160 HydrophobicContact CG-CD2 3.67Å; F1155-Y1160 HydrophobicContact CG-CG 4.14Å; F1155-Y1160 HydrophobicContact CZ-CD2 4.07Å; F1155-Y1160 HydrophobicContact CZ-CE2 4.19Å; H1156-Y1160 PolarHBondContact O-N 2.87Å; S1157-Y1160 PolarHBondContact O-N 3.26Å; E1158-Y1160 VanDerWaalsContact C-N 3.31Å; E1158-Y1160 PolarHBondContact O-N 3.31Å; Y1160-L1163 PolarHBondContact O-N 2.77Å; Y1160-L1164 HydrophobicContact CD1-CD1 3.8Å; Y1160-L1164 HydrophobicContact CD1-CG 4.35Å; Y1160-L1164 HydrophobicContact CD2-CG 4.48Å; Y1160-L1164 HydrophobicContact CE1-CD1 3.42Å; Y1160-L1164 VanDerWaalsContact CE1-CD1 3.42Å; Y1160-L1164 HydrophobicContact CE1-CG 4.08Å; Y1160-L1164 HydrophobicContact CE2-CD1 4.43Å; Y1160-L1164 HydrophobicContact CE2-CD2 4.3Å; Y1160-L1164 HydrophobicContact CE2-CG 4.21Å; Y1160-L1164 HydrophobicContact CG-CD1 4.45Å; Y1160-L1164 WeakPolarHBondContact O-CB 3.45Å; Y1160-L1164 VanDerWaalsContact O-CG 3.25Å; Y1160-L1164 WeakPolarHBondContact O-CG 3.48Å; Y1160-L1164 PolarHBondContact O-N 2.73Å; Y1160-C1170 HydrophobicContact CE2-CB 4.49Å
1161E87.8Confident88.1Confident124 Ų12452.8 Ų52.858%0.57927%0.269SS*.Hα-helixtrans-61.3-43.6174.9-73.4-179.7-174.400111.8S1157 E1158 L1164 L1165S1157-E1161 WeakPolarHBondContact O-CG 3.48Å; S1157-E1161 PolarHBondContact O-N 3.07Å; E1158-E1161 PolarHBondContact O-N 2.84Å; E1161-L1164 PolarHBondContact O-N 2.66Å; E1161-L1165 WeakPolarHBondContact O-CB 3.44Å; E1161-L1165 VanDerWaalsContact O-CG 3.28Å; E1161-L1165 WeakPolarHBondContact O-CG 3.4Å; E1161-L1165 PolarHBondContact O-N 3Å
1162I88Confident88Confident87 Ų8752.9 Ų52.945%0.44627%0.269SS..Hα-helixtrans-62.6-46.4176.8-68.1166.5000110.8E1158 D1159 L1164 L1165 Q1166E1158-I1162 VanDerWaalsContact O-CG1 3.31Å; E1158-I1162 WeakPolarHBondContact O-CG1 3.38Å; E1158-I1162 PolarHBondContact O-N 3Å; D1159-I1162 PolarHBondContact O-N 3.13Å; I1162-L1164 VanDerWaalsContact C-N 3.34Å; I1162-L1164 PolarHBondContact O-N 3.1Å; I1162-L1165 PolarHBondContact O-N 3.36Å; I1162-Q1166 HydrophobicContact CG2-CG 4.41Å; I1162-Q1166 WeakPolarHBondContact O-CB 3.26Å; I1162-Q1166 VanDerWaalsContact O-CG 3.29Å; I1162-Q1166 WeakPolarHBondContact O-CG 3.46Å; I1162-Q1166 PolarHBondContact O-N 3.01Å
1163L84.8Confident87.9Confident31 Ų3151.9 Ų51.916%0.16227%0.265CS..Hα-helixtrans-65.4-38.4179.7-71.8166.6000111.7D1159 Y1160 Q1166 H1167 P1171D1159-L1163 WeakPolarHBondContact O-CB 3.2Å; D1159-L1163 WeakPolarHBondContact O-CD1 3.38Å; D1159-L1163 VanDerWaalsContact O-CG 3.22Å; D1159-L1163 WeakPolarHBondContact O-CG 3.27Å; D1159-L1163 PolarHBondContact O-N 2.86Å; Y1160-L1163 PolarHBondContact O-N 2.77Å; L1163-Q1166 PolarHBondContact O-N 3.28Å; L1163-H1167 WeakPolarHBondContact O-CB 3.33Å; L1163-H1167 PolarHBondContact O-CD2 3.16Å; L1163-H1167 PolarHBondContact O-N 3.41Å; L1163-P1171 HydrophobicContact CB-CG 4.22Å; L1163-P1171 HydrophobicContact CD1-CG 4.15Å
1164L86.6Confident87.7Confident28 Ų2853.5 Ų53.515%0.14727%0.27CS..Hα-helixtrans-63.1-45.3172.6-76.5-179000111.4Y1160 E1161 I1162 Q1166 S1168 C1169 I1177Y1160-L1164 HydrophobicContact CD1-CD1 3.8Å; Y1160-L1164 HydrophobicContact CD1-CG 4.35Å; Y1160-L1164 HydrophobicContact CD2-CG 4.48Å; Y1160-L1164 HydrophobicContact CE1-CD1 3.42Å; Y1160-L1164 VanDerWaalsContact CE1-CD1 3.42Å; Y1160-L1164 HydrophobicContact CE1-CG 4.08Å; Y1160-L1164 HydrophobicContact CE2-CD1 4.43Å; Y1160-L1164 HydrophobicContact CE2-CD2 4.3Å; Y1160-L1164 HydrophobicContact CE2-CG 4.21Å; Y1160-L1164 HydrophobicContact CG-CD1 4.45Å; Y1160-L1164 WeakPolarHBondContact O-CB 3.45Å; Y1160-L1164 VanDerWaalsContact O-CG 3.25Å; Y1160-L1164 WeakPolarHBondContact O-CG 3.48Å; Y1160-L1164 PolarHBondContact O-N 2.73Å; E1161-L1164 PolarHBondContact O-N 2.66Å; I1162-L1164 VanDerWaalsContact C-N 3.34Å; I1162-L1164 PolarHBondContact O-N 3.1Å; L1164-Q1166 VanDerWaalsContact C-N 3.31Å; L1164-Q1166 PolarHBondContact O-N 3.25Å; L1164-S1168 WeakPolarHBondContact O-CA 3.41Å; L1164-S1168 PolarHBondContact O-N 3.44Å; L1164-C1169 VanDerWaalsContact CD2-C 3.48Å; L1164-I1177 HydrophobicContact CB-CD1 3.97Å; L1164-I1177 HydrophobicContact CB-CG1 4.25Å; L1164-I1177 HydrophobicContact CD1-CG1 4.5Å; L1164-I1177 HydrophobicContact CD2-CG1 4.02Å; L1164-I1177 HydrophobicContact CG-CG1 4.5Å
1165L85.3Confident87.3Confident142 Ų14255 Ų5574%0.74328%0.275SS*.Hα-helixtrans-63-37.5176.8-73.4170.2000112.3E1161 I1162E1161-L1165 WeakPolarHBondContact O-CB 3.44Å; E1161-L1165 VanDerWaalsContact O-CG 3.28Å; E1161-L1165 WeakPolarHBondContact O-CG 3.4Å; E1161-L1165 PolarHBondContact O-N 3Å; I1162-L1165 PolarHBondContact O-N 3.36Å
1166Q84.4Confident86.6Confident131 Ų13157.6 Ų57.661%0.61229%0.292SS*.Hα-helixtrans-71.6-41.8179.8-75.1177.3-000112.9I1162 L1163 L1164I1162-Q1166 HydrophobicContact CG2-CG 4.41Å; I1162-Q1166 WeakPolarHBondContact O-CB 3.26Å; I1162-Q1166 VanDerWaalsContact O-CG 3.29Å; I1162-Q1166 WeakPolarHBondContact O-CG 3.46Å; I1162-Q1166 PolarHBondContact O-N 3.01Å; L1163-Q1166 PolarHBondContact O-N 3.28Å; L1164-Q1166 VanDerWaalsContact C-N 3.31Å; L1164-Q1166 PolarHBondContact O-N 3.25Å
1167H81.8Confident85.4Confident106 Ų10660.2 Ų60.249%0.49131%0.307SS..Hα-helixtrans-106.4-7-171.5-63.2-63.9000114.1L1163 C1169L1163-H1167 WeakPolarHBondContact O-CB 3.33Å; L1163-H1167 PolarHBondContact O-CD2 3.16Å; L1163-H1167 PolarHBondContact O-N 3.41Å; H1167-C1169 PolarHBondContact O-N 2.81Å; H1167-C1169 PolarHBondContact O-SG 3.5Å
1168S84.5Confident84.1Confident82 Ų8266.6 Ų66.657%0.57334%0.34SS*.SBendtrans57.29.9-171.2-55.30000114.6L1164 I1177L1164-S1168 WeakPolarHBondContact O-CA 3.41Å; L1164-S1168 PolarHBondContact O-N 3.44Å; S1168-I1177 PolarHBondContact O-N 3.04Å
1169C87.1Confident82.7Confident26 Ų2664.9 Ų64.918%0.17633%0.331CS..BIsolated β-bridgetrans-158.3164.7-17869.50000111.2L1164 H1167 R1174 R1175L1164-C1169 VanDerWaalsContact CD2-C 3.48Å; H1167-C1169 PolarHBondContact O-N 2.81Å; H1167-C1169 PolarHBondContact O-SG 3.5Å; C1169-R1174 WeakPolarHBondContact CB-O 3.45Å; C1169-R1175 CarbonylContact C-O 3.6Å; C1169-R1175 WeakPolarHBondContact CA-O 3.45Å; C1169-R1175 VanDerWaalsContact CB-O 3.27Å; C1169-R1175 WeakPolarHBondContact CB-O 3.5Å
1170C88.1Confident80.7Confident0 Ų068 Ų680%036%0.355CS..  trans-61.6129.1174.1173.80000110.3Y1160 Y1172 R1174 R1175Y1160-C1170 HydrophobicContact CE2-CB 4.49Å; C1170-Y1172 PolarHBondContact O-N 3.08Å; C1170-Y1172 VanDerWaalsContact O-N 3.15Å; C1170-R1174 WeakPolarHBondContact O-CA 3.48Å; C1170-R1174 PolarHBondContact O-N 3.27Å; C1170-R1175 PolarHBondContact N-O 3.1Å
1171P85.1Confident78.4Confident14 Ų1475.5 Ų75.59%0.09140%0.397CS..THydrogen-bonded Turntrans-65.8-22.3-175.826.7-35.9000113.4F1155 L1163F1155-P1171 HydrophobicContact CE1-CG 4.25Å; F1155-P1171 HydrophobicContact CZ-CG 4.42Å; L1163-P1171 HydrophobicContact CB-CG 4.22Å; L1163-P1171 HydrophobicContact CD1-CG 4.15Å
1172Y86.9Confident77.9Confident5 Ų573.1 Ų73.12%0.0239%0.387CS..THydrogen-bonded Turntrans-89.1-51.7-178.7-163.4-87.4000112.8W856 A887 E888 Y891 C1151 K1153 C1170W856-Y1172 HydrophobicContact CB-CE1 4.29Å; W856-Y1172 AromaticContact CD1-CE1 3.92Å; W856-Y1172 HydrophobicContact CG-CE1 4.24Å; A887-Y1172 WeakPolarHBondContact CB-OH 3.37Å; E888-Y1172 WeakPolarHBondContact CA-OH 3.4Å; E888-Y1172 PolarHBondContact N-OH 2.86Å; E888-Y1172 VanDerWaalsContact N-OH 3.09Å; Y891-Y1172 AromaticContact CD1-CD2 3.91Å; Y891-Y1172 HydrophobicContact CD1-CD2 3.91Å; Y891-Y1172 HydrophobicContact CD1-CE2 4.12Å; Y891-Y1172 HydrophobicContact CD2-CD2 4.02Å; Y891-Y1172 HydrophobicContact CE1-CD2 4.21Å; Y891-Y1172 HydrophobicContact CE2-CD2 4.31Å; Y891-Y1172 AromaticContact CG-CD2 3.81Å; Y891-Y1172 HydrophobicContact CG-CD2 3.81Å; Y891-Y1172 AromaticContact CG-CE2 3.98Å; Y891-Y1172 HydrophobicContact CG-CE2 3.98Å; C1151-Y1172 HydrophobicContact CB-CD1 4.14Å; K1153-Y1172 WeakPolarHBondContact CE-OH 3.35Å; K1153-Y1172 HydrophobicContact CG-CD1 3.94Å; K1153-Y1172 HydrophobicContact CG-CD2 4.23Å; K1153-Y1172 HydrophobicContact CG-CE1 4.14Å; K1153-Y1172 HydrophobicContact CG-CE2 4.41Å; K1153-Y1172 HydrophobicContact CG-CG 3.98Å; C1170-Y1172 PolarHBondContact O-N 3.08Å; C1170-Y1172 VanDerWaalsContact O-N 3.15Å
1173C87.5Confident77.4Confident3 Ų372.4 Ų72.42%0.0238%0.384CS..THydrogen-bonded Turntrans-110.55.8-175.870.80000115.2Y853 W856 C1148 C1151 R1175Y853-C1173 VanDerWaalsContact CE2-O 3.24Å; Y853-C1173 WeakPolarHBondContact CE2-O 3.41Å; W856-C1173 HydrophobicContact CD2-CB 3.9Å; W856-C1173 HydrophobicContact CE3-CB 3.95Å; W856-C1173 HydrophobicContact CH2-CB 3.63Å; W856-C1173 HydrophobicContact CZ2-CB 3.57Å; W856-C1173 HydrophobicContact CZ3-CB 3.82Å; C1148-C1173 VanDerWaalsContact SG-SG 3.65Å; C1151-C1173 HydrophobicContact CB-CB 3.59Å; C1151-C1173 VanDerWaalsContact SG-SG 3.66Å; C1173-R1175 PolarHBondContact O-N 2.87Å
1174R88.2Confident77Confident67 Ų6774.7 Ų74.725%0.25340%0.397SS..  trans55.819.1174.8-54.9-179.1-175.1-170.6-2.8114.9N849 D850 Y853 C1169 C1170 P1176N849-R1174 PolarHBondContact O-NH2 3.28Å; D850-R1174 IonicContact OD1-CZ 3.86Å; D850-R1174 VanDerWaalsContact OD1-CZ 3.23Å; D850-R1174 IonicContact OD1-NH1 2.72Å; D850-R1174 PolarHBondContact OD1-NH1 3Å; D850-R1174 IonicContact OD1-NH2 2.66Å; D850-R1174 PolarHBondContact OD1-NH2 3.46Å; Y853-R1174 HydrophobicContact CD2-CB 4.26Å; Y853-R1174 HydrophobicContact CD2-CG 3.77Å; Y853-R1174 HydrophobicContact CE2-CB 3.88Å; Y853-R1174 HydrophobicContact CE2-CG 3.9Å; Y853-R1174 HydrophobicContact CG-CG 4.21Å; C1169-R1174 WeakPolarHBondContact CB-O 3.45Å; C1170-R1174 WeakPolarHBondContact O-CA 3.48Å; C1170-R1174 PolarHBondContact O-N 3.27Å; R1174-P1176 WeakPolarHBondContact O-CD 3.46Å
1175R83Confident76.4Confident36 Ų3677.4 Ų77.414%0.13641%0.411CS..  trans-64.4122.5174177169.2174.4171.99.5110S1150 C1169 C1170 C1173 E1179 P1180 N1181S1150-R1175 VanDerWaalsContact CB-CD 3.42Å; C1169-R1175 CarbonylContact C-O 3.6Å; C1169-R1175 WeakPolarHBondContact CA-O 3.45Å; C1169-R1175 VanDerWaalsContact CB-O 3.27Å; C1169-R1175 WeakPolarHBondContact CB-O 3.5Å; C1170-R1175 PolarHBondContact N-O 3.1Å; C1173-R1175 PolarHBondContact O-N 2.87Å; R1175-E1179 PolarHBondContact NH2-O 3.31Å; R1175-P1180 PolarHBondContact NH2-O 3.34Å; R1175-N1181 PolarHBondContact NH1-OD1 3.11Å; R1175-N1181 PolarHBondContact NH2-OD1 3.25Å; R1175-N1181 VanDerWaalsContact NH2-OD1 3.16Å
1176P78.3Confident75.9Confident56 Ų5673.4 Ų73.436%0.36439%0.391SS..BIsolated β-bridgetrans-65.3155.6176.4-19.231.9000113.1R1174 D1178 E1179R1174-P1176 WeakPolarHBondContact O-CD 3.46Å; P1176-D1178 VanDerWaalsContact C-N 3.3Å; P1176-D1178 PolarHBondContact O-N 3.03Å; P1176-E1179 HydrophobicContact CB-CG 4.45Å; P1176-E1179 HydrophobicContact CG-CG 4.3Å
1177I68.9Low75.3Confident93 Ų9369.5 Ų69.548%0.47738%0.376SS..THydrogen-bonded Turntrans-64.5-34.3178.6-63.6166.4000111.9L1164 S1168L1164-I1177 HydrophobicContact CB-CD1 3.97Å; L1164-I1177 HydrophobicContact CB-CG1 4.25Å; L1164-I1177 HydrophobicContact CD1-CG1 4.5Å; L1164-I1177 HydrophobicContact CD2-CG1 4.02Å; L1164-I1177 HydrophobicContact CG-CG1 4.5Å; S1168-I1177 PolarHBondContact O-N 3.04Å
1178D61.7Low74.8Confident152 Ų15266.9 Ų66.981%0.81337%0.368SS*.THydrogen-bonded Turntrans-87-2.8-171.4-61.4-36.9000114.7P1176 P1180P1176-D1178 VanDerWaalsContact C-N 3.3Å; P1176-D1178 PolarHBondContact O-N 3.03Å; D1178-P1180 WeakPolarHBondContact O-CD 3.1Å
1179E60Low74.1Confident102 Ų10265.8 Ų65.848%0.47735%0.352SS..SBendtrans-78117.8177.6-79.9-168.9157.600110.8R1175 P1176R1175-E1179 PolarHBondContact NH2-O 3.31Å; P1176-E1179 HydrophobicContact CB-CG 4.45Å; P1176-E1179 HydrophobicContact CG-CG 4.3Å
1180P47.9Very low73Confident121 Ų12169.1 Ų69.179%0.78637%0.366SS*.  trans-59.1140.7-178.122.5-31.3000111.8R1175 D1178R1175-P1180 PolarHBondContact NH2-O 3.34Å; D1178-P1180 WeakPolarHBondContact O-CD 3.1Å
1181N40.4Very low71.6Confident180 Ų18075.4 Ų75.496%0.96340%0.4SS*.  trans-62.20-179.1-92-20.7000114.7P1149 R1175P1149-N1181 WeakPolarHBondContact CB-OD1 3.41Å; P1149-N1181 WeakPolarHBondContact CG-OD1 3.23Å; R1175-N1181 PolarHBondContact NH1-OD1 3.11Å; R1175-N1181 PolarHBondContact NH2-OD1 3.25Å; R1175-N1181 VanDerWaalsContact NH2-OD1 3.16Å

Retrieved 1,181 of 1,181 residues in 360.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).