A0A087X2M8_POEFO Loading...

Programmed cell death 2-like

AlphaFold DB , UniProt , Accession A0A087X2M8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 353 aa.

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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
1M37.4Very low79.1Confident239 Ų23976.3 Ų76.3100%1.17741%0.413SS*.  0119.10-69.6-178.3-75.700104.8E3M1-E3 PolarHBondContact O-N 3.02Å
2A45.9Very low80.3Confident82 Ų8279.6 Ų79.668%0.67843%0.43SS*.  trans-60.3127.7179.100000108.1Q4A2-Q4 PolarHBondContact O-N 3.16Å
3E52.8Low81.3Confident179 Ų17975.7 Ų75.784%0.83642%0.42SS*.  trans-58.2124.8174.8-163.1155.9-15400107.7M1 T5M1-E3 PolarHBondContact O-N 3.02Å; E3-T5 VanDerWaalsContact C-N 3.29Å; E3-T5 PolarHBondContact O-N 3.35Å
4Q72.5Confident82.2Confident118 Ų11879.8 Ų79.855%0.55143%0.434SS*.  trans-79.285.4-179.8-72.4-174.8-22.400107.8A2 L6 H262A2-Q4 PolarHBondContact O-N 3.16Å; Q4-L6 PolarHBondContact O-N 3.37Å; Q4-H262 PolarHBondContact NE2-O 3.07Å; Q4-H262 VanDerWaalsContact NE2-O 3.12Å
5T87.3Confident82.9Confident58 Ų5874.9 Ų74.936%0.35641%0.407SS..PPolyproline II helixtrans-65.9127.3176-490000109.6E3 L7 E187E3-T5 VanDerWaalsContact C-N 3.29Å; E3-T5 PolarHBondContact O-N 3.35Å; T5-L7 HydrophobicContact CG2-CD2 3.98Å; T5-E187 HydrophobicContact CG2-CB 4.11Å; T5-E187 VanDerWaalsContact CG2-CD 3.47Å; T5-E187 HydrophobicContact CG2-CG 3.88Å
6L91.9Very high83.3Confident25 Ų2572.6 Ų72.613%0.13140%0.395CS..PPolyproline II helixtrans-91121.7170.7169.559.9000108.9Q4 E188 R258 C260Q4-L6 PolarHBondContact O-N 3.37Å; L6-E188 HydrophobicContact CB-CB 4.21Å; L6-E188 HydrophobicContact CD2-CB 4.17Å; L6-E188 HydrophobicContact CD2-CG 4.3Å; L6-E188 WeakPolarHBondContact CD2-OE1 3.11Å; L6-E188 WeakPolarHBondContact CD2-OE2 3.48Å; L6-E188 HydrophobicContact CG-CB 4.11Å; L6-E188 PolarHBondContact O-N 2.89Å; L6-R258 HydrophobicContact CD1-CB 4.06Å; L6-R258 VanDerWaalsContact CD2-CZ 3.49Å; L6-C260 HydrophobicContact CB-CB 4.37Å; L6-C260 HydrophobicContact CD1-CB 3.68Å
7L95.4Very high83.3Confident50 Ų5074.3 Ų74.326%0.26241%0.41SS..EExtended strand (participates in β ladder)trans-99.3136.7176.4-55.8177.4000110.1T5 V185 V186 E187 R258 Y259T5-L7 HydrophobicContact CG2-CD2 3.98Å; L7-V185 HydrophobicContact CB-CG1 3.88Å; L7-V185 HydrophobicContact CD1-CG1 4.15Å; L7-V185 HydrophobicContact CD2-CG1 4.34Å; L7-V185 HydrophobicContact CG-CG1 4.35Å; L7-V186 WeakPolarHBondContact CA-O 3.24Å; L7-E187 HydrophobicContact CD2-CG 3.8Å; L7-R258 CarbonylContact O-C 3.6Å; L7-R258 WeakPolarHBondContact O-CA 3.31Å; L7-Y259 HydrophobicContact CD1-CD1 4.15Å; L7-Y259 PolarHBondContact N-O 2.83Å; L7-Y259 PolarHBondContact O-N 2.97Å
8I96.4Very high83.5Confident1 Ų183.3 Ų83.31%0.00544%0.437CS..EExtended strand (participates in β ladder)trans-110129177.5-64.6177.8000108.6L10 V185 V186 E188 L191 Q255I8-L10 HydrophobicContact CG2-CD2 3.98Å; I8-L10 HydrophobicContact CG2-CG 4.31Å; I8-V185 WeakPolarHBondContact O-CA 3.2Å; I8-V186 HydrophobicContact CB-CG2 3.92Å; I8-V186 HydrophobicContact CG2-CG2 4.32Å; I8-V186 PolarHBondContact N-O 2.85Å; I8-V186 PolarHBondContact O-N 2.77Å; I8-E188 HydrophobicContact CD1-CB 3.92Å; I8-E188 HydrophobicContact CD1-CG 3.94Å; I8-E188 HydrophobicContact CG1-CB 4.37Å; I8-L191 HydrophobicContact CD1-CD1 3.74Å; I8-Q255 HydrophobicContact CG2-CB 3.54Å
9G97.1Very high83.8Confident2 Ų286.9 Ų86.92%0.02145%0.449CS..EExtended strand (participates in β ladder)trans-93.7129.7172.400000111.1S184 I256 L257G9-S184 CarbonylContact C-O 3.51Å; G9-S184 WeakPolarHBondContact CA-O 3.34Å; G9-I256 WeakPolarHBondContact O-CG1 3.45Å; G9-I256 PolarHBondContact O-N 3.22Å; G9-L257 PolarHBondContact N-O 3.09Å; G9-L257 PolarHBondContact O-N 2.89Å
10L97.1Very high84Confident34 Ų3489.4 Ų89.418%0.17845%0.453CS..EExtended strand (participates in β ladder)trans-121.4149.8177.6-58.5176.1000110.2I8 D12 I183 S184 V186 C252 Q254 Q255I8-L10 HydrophobicContact CG2-CD2 3.98Å; I8-L10 HydrophobicContact CG2-CG 4.31Å; L10-D12 PolarHBondContact O-N 3.03Å; L10-I183 CarbonylContact O-C 3.5Å; L10-I183 VanDerWaalsContact O-CA 3.27Å; L10-I183 WeakPolarHBondContact O-CA 3.32Å; L10-S184 PolarHBondContact N-O 3.33Å; L10-S184 PolarHBondContact O-N 3.01Å; L10-V186 HydrophobicContact CD1-CG1 4.36Å; L10-V186 HydrophobicContact CD1-CG2 3.99Å; L10-V186 HydrophobicContact CG-CG2 4.43Å; L10-C252 VanDerWaalsContact CD2-SG 3.52Å; L10-Q254 HydrophobicContact CD2-CB 4.38Å; L10-Q255 HydrophobicContact CD2-CB 4.49Å
11C96.8Very high84.3Confident51 Ų5196.3 Ų96.335%0.34547%0.474SS..EExtended strand (participates in β ladder)trans-71.8123.5170.9-174.10000109.6I256 L302C11-I256 HydrophobicContact CB-CD1 4.47Å; C11-L302 HydrophobicContact CB-CD1 3.72Å
12D92.6Very high86.9Confident116 Ų11686.1 Ų86.162%0.6243%0.426SS*.EExtended strand (participates in β ladder)trans-104.2-20.2-175.4-165.531.1000113.1L10 F182L10-D12 PolarHBondContact O-N 3.03Å; D12-F182 HydrophobicContact CB-CB 4.04Å; D12-F182 PolarHBondContact N-O 3.14Å
13G93.3Very high89.2Confident29 Ų2984.9 Ų84.930%0.29941%0.41SS..EExtended strand (participates in β ladder)trans154.2168.4176.600000113.5F181 F182G13-F181 CarbonylContact O-C 3.43Å; G13-F181 WeakPolarHBondContact O-CA 3.49Å; G13-F181 WeakPolarHBondContact O-CB 3.41Å; G13-F182 PolarHBondContact O-N 2.13Å
14E94.1Very high91.2Very high133 Ų13378.4 Ų78.462%0.62138%0.38SS*.EExtended strand (participates in β ladder)trans-67.9133.1178.5-169.9-179.4174.900111.1D16 F181E14-D16 PolarHBondContact O-N 3.22Å; E14-F181 HydrophobicContact CB-CD1 4.21Å; E14-F181 HydrophobicContact CB-CE1 4.08Å; E14-F181 HydrophobicContact CG-CE1 4.4Å
15L92.5Very high92.3Very high6 Ų676.6 Ų76.63%0.03137%0.373CS..  trans-89.185176.9-170.6142.7000109.1P17 T26 K28 P180 F182L15-P17 WeakPolarHBondContact O-CD 3.33Å; L15-T26 HydrophobicContact CD1-CG2 4.18Å; L15-K28 HydrophobicContact CD1-CB 4.3Å; L15-K28 HydrophobicContact CD1-CD 4.25Å; L15-P180 HydrophobicContact CB-CB 3.99Å; L15-P180 HydrophobicContact CB-CG 4.2Å; L15-P180 HydrophobicContact CD2-CB 4.22Å; L15-P180 HydrophobicContact CD2-CG 4.38Å; L15-P180 PolarHBondContact N-O 2.89Å; L15-P180 WeakPolarHBondContact O-CG 3.29Å; L15-F182 HydrophobicContact CB-CD2 4.02Å; L15-F182 HydrophobicContact CB-CE2 3.87Å; L15-F182 HydrophobicContact CB-CZ 4.29Å; L15-F182 HydrophobicContact CD1-CD1 3.7Å; L15-F182 HydrophobicContact CD1-CD2 4.16Å; L15-F182 HydrophobicContact CD1-CE1 3.34Å; L15-F182 HydrophobicContact CD1-CE2 3.84Å; L15-F182 HydrophobicContact CD1-CG 4.1Å; L15-F182 HydrophobicContact CD1-CZ 3.42Å; L15-F182 VanDerWaalsContact CD1-CZ 3.42Å; L15-F182 HydrophobicContact CG-CD2 4.3Å; L15-F182 HydrophobicContact CG-CE1 4.14Å; L15-F182 HydrophobicContact CG-CE2 3.77Å; L15-F182 HydrophobicContact CG-CZ 3.67Å
16D89.7Confident92.7Very high39 Ų3975.1 Ų75.121%0.20936%0.364CS..  trans-70.3111.2175.1-177.7-6.5000110.2E14 R18 K19 Y20E14-D16 PolarHBondContact O-N 3.22Å; D16-R18 PolarHBondContact O-N 3.37Å; D16-R18 VanDerWaalsContact OD1-CB 3.28Å; D16-R18 WeakPolarHBondContact OD1-CB 3.47Å; D16-R18 WeakPolarHBondContact OD1-CG 3.32Å; D16-R18 PolarHBondContact OD1-N 3.42Å; D16-K19 HydrophobicContact CB-CB 4.28Å; D16-K19 HydrophobicContact CB-CD 4.14Å; D16-K19 HydrophobicContact CB-CG 4.27Å; D16-K19 PolarHBondContact O-N 3.24Å; D16-K19 WeakPolarHBondContact OD2-CD 3.48Å; D16-K19 VanDerWaalsContact OD2-CE 3.25Å; D16-K19 WeakPolarHBondContact OD2-CE 3.48Å; D16-K19 WeakPolarHBondContact OD2-CG 3.5Å; D16-K19 IonicContact OD2-NZ 3.08Å; D16-Y20 PolarHBondContact O-N 3.04Å
17P83.2Confident93Very high101 Ų10175.6 Ų75.666%0.65637%0.367SS*.THydrogen-bonded Turntrans-64.5-15.8-177.7-1933.4000113.5L15L15-P17 WeakPolarHBondContact O-CD 3.33Å
18R86.9Confident93.1Very high236 Ų23673.5 Ų73.589%0.89136%0.355SS*.THydrogen-bonded Turntrans-79.9-25.5177.1-57.6177.9-177.4-177.72.6112.2D16D16-R18 PolarHBondContact O-N 3.37Å; D16-R18 VanDerWaalsContact OD1-CB 3.28Å; D16-R18 WeakPolarHBondContact OD1-CB 3.47Å; D16-R18 WeakPolarHBondContact OD1-CG 3.32Å; D16-R18 PolarHBondContact OD1-N 3.42Å
19K88.7Confident93.2Very high153 Ų15373.4 Ų73.467%0.66536%0.355SS*.THydrogen-bonded Turntrans-99.7-36.6-177.8-66.1177.1-172.7169.90112.1D16D16-K19 HydrophobicContact CB-CB 4.28Å; D16-K19 HydrophobicContact CB-CD 4.14Å; D16-K19 HydrophobicContact CB-CG 4.27Å; D16-K19 PolarHBondContact O-N 3.24Å; D16-K19 WeakPolarHBondContact OD2-CD 3.48Å; D16-K19 VanDerWaalsContact OD2-CE 3.25Å; D16-K19 WeakPolarHBondContact OD2-CE 3.48Å; D16-K19 WeakPolarHBondContact OD2-CG 3.5Å; D16-K19 IonicContact OD2-NZ 3.08Å
20Y88.8Confident93.1Very high136 Ų13673.3 Ų73.353%0.53335%0.354SS..  trans-128.1141-173-56-75.5000111.4D16 F182D16-Y20 PolarHBondContact O-N 3.04Å; Y20-F182 HydrophobicContact CD2-CE2 4.14Å; Y20-F182 HydrophobicContact CD2-CZ 4.38Å; Y20-F182 HydrophobicContact CG-CE2 4.38Å; Y20-F182 HydrophobicContact CG-CZ 4.16Å
21R89Confident92.9Very high234 Ų23472.2 Ų72.288%0.88335%0.351SS*.  trans-101.1109.1172.7-173.9176.7-179.4175.30.5109.2
22S92.9Very high92.8Very high25 Ų2576.7 Ų76.718%0.17536%0.364CS..  trans-72.6152.3172.363.20000111.3K28 D34S22-K28 PolarHBondContact OG-NZ 3.46Å; S22-D34 WeakPolarHBondContact CB-OD2 3.35Å; S22-D34 PolarHBondContact OG-OD1 2.92Å; S22-D34 VanDerWaalsContact OG-OD1 3.12Å; S22-D34 PolarHBondContact OG-OD2 3.47Å
23T94.8Very high92.9Very high57 Ų5772.6 Ų72.635%0.3534%0.344SS..  trans-137.4176.617568.70000109.4L25 T26 D34 Q58T23-L25 PolarHBondContact O-N 2.92Å; T23-L25 PolarHBondContact OG1-N 3.29Å; T23-T26 PolarHBondContact N-OG1 3.11Å; T23-T26 VanDerWaalsContact N-OG1 3.14Å; T23-T26 WeakPolarHBondContact O-CB 3.25Å; T23-T26 PolarHBondContact O-N 2.94Å; T23-T26 PolarHBondContact O-OG1 3.22Å; T23-D34 VanDerWaalsContact C-CB 3.4Å; T23-Q58 PolarHBondContact O-NE2 3.29Å
24F94.1Very high93Very high43 Ų4372.8 Ų72.819%0.18934%0.338CS..THydrogen-bonded Turntrans-61.7-7.7173.175-90.6000113.9D34 H69 N71F24-D34 WeakPolarHBondContact CA-O 3.37Å; F24-D34 VanDerWaalsContact CB-O 3.25Å; F24-D34 WeakPolarHBondContact CB-O 3.32Å; F24-H69 HydrophobicContact CE2-CB 3.85Å; F24-H69 AromaticContact CE2-CG 3.81Å; F24-N71 WeakPolarHBondContact CD2-ND2 3.29Å; F24-N71 VanDerWaalsContact O-CG 3.24Å; F24-N71 PolarHBondContact O-ND2 3.4Å; F24-N71 PolarHBondContact O-OD1 3.11Å
25L95.3Very high93Very high80 Ų8069.1 Ų69.142%0.41932%0.319SS..THydrogen-bonded Turntrans-91.6-7.3174.2-60.3175.9000112.7T23 Y60T23-L25 PolarHBondContact O-N 2.92Å; T23-L25 PolarHBondContact OG1-N 3.29Å; L25-Y60 HydrophobicContact CD2-CD1 4.36Å; L25-Y60 HydrophobicContact CD2-CD2 3.83Å; L25-Y60 HydrophobicContact CD2-CE1 4Å; L25-Y60 HydrophobicContact CD2-CE2 3.43Å; L25-Y60 VanDerWaalsContact CD2-CE2 3.43Å; L25-Y60 HydrophobicContact CD2-CG 4.28Å
26T96.3Very high92.8Very high26 Ų2669.2 Ų69.216%0.1632%0.32CS..  trans-89.9124.4-176.7-53.10000110.2L15 T23 Q58 F182L15-T26 HydrophobicContact CD1-CG2 4.18Å; T23-T26 PolarHBondContact N-OG1 3.11Å; T23-T26 VanDerWaalsContact N-OG1 3.14Å; T23-T26 WeakPolarHBondContact O-CB 3.25Å; T23-T26 PolarHBondContact O-N 2.94Å; T23-T26 PolarHBondContact O-OG1 3.22Å; T26-Q58 PolarHBondContact O-NE2 2.7Å; T26-F182 HydrophobicContact CG2-CD1 3.82Å; T26-F182 HydrophobicContact CG2-CE1 3.64Å
27N97.9Very high92.7Very high36 Ų3673.7 Ų73.719%0.19336%0.355CS..  trans-78.6124.5167.8-63-38.1000109.4Q58 V59 Y60 I183N27-Q58 WeakPolarHBondContact CA-O 3.48Å; N27-V59 WeakPolarHBondContact OD1-CA 3.38Å; N27-Y60 WeakPolarHBondContact OD1-CB 3.29Å; N27-Y60 PolarHBondContact OD1-N 3.03Å; N27-I183 HydrophobicContact CB-CB 3.83Å; N27-I183 HydrophobicContact CB-CG2 4.46Å; N27-I183 PolarHBondContact O-N 3.15Å
28K97.6Very high92.9Very high5 Ų570.9 Ų70.92%0.02234%0.339CS..EExtended strand (participates in β ladder)trans-151.4151.7-177.366.6-179.6-169.2-173.90113.6L15 S22 K32 D34 V57 Q58 F181 I183L15-K28 HydrophobicContact CD1-CB 4.3Å; L15-K28 HydrophobicContact CD1-CD 4.25Å; S22-K28 PolarHBondContact OG-NZ 3.46Å; K28-K32 VanDerWaalsContact CE-O 3.31Å; K28-K32 WeakPolarHBondContact CE-O 3.46Å; K28-K32 PolarHBondContact NZ-O 3.48Å; K28-D34 VanDerWaalsContact CE-OD2 3.3Å; K28-D34 WeakPolarHBondContact CE-OD2 3.3Å; K28-D34 IonicContact NZ-OD1 3.05Å; K28-D34 PolarHBondContact NZ-OD1 3.27Å; K28-D34 IonicContact NZ-OD2 3.76Å; K28-D34 PolarHBondContact NZ-OD2 2.99Å; K28-V57 WeakPolarHBondContact O-CA 3.11Å; K28-Q58 HydrophobicContact CG-CB 4.01Å; K28-Q58 PolarHBondContact N-O 3.31Å; K28-Q58 PolarHBondContact O-N 2.68Å; K28-F181 CarbonylContact C-O 3.52Å; K28-F181 WeakPolarHBondContact CA-O 3.47Å; K28-F181 VanDerWaalsContact CB-O 3.26Å; K28-F181 WeakPolarHBondContact CB-O 3.41Å; K28-I183 VanDerWaalsContact C-CD1 3.46Å
29V97.6Very high92.9Very high0 Ų060 Ų600%030%0.3CS..EExtended strand (participates in β ladder)trans-91.1144.8163.7178.80000108.3V56 V57 P180 F181 I183 I256 L299 L302 L303V29-V56 WeakPolarHBondContact CA-O 3.38Å; V29-V57 HydrophobicContact CG2-CG1 4.45Å; V29-P180 CarbonylContact O-C 3.52Å; V29-P180 WeakPolarHBondContact O-CA 3.45Å; V29-F181 HydrophobicContact CB-CB 4.33Å; V29-F181 PolarHBondContact N-O 3.21Å; V29-F181 PolarHBondContact O-N 3.01Å; V29-I183 HydrophobicContact CG2-CD1 3.82Å; V29-I183 HydrophobicContact CG2-CG1 3.82Å; V29-I256 HydrophobicContact CG2-CD1 3.65Å; V29-L299 HydrophobicContact CB-CD1 4.28Å; V29-L299 HydrophobicContact CG1-CD1 3.62Å; V29-L299 HydrophobicContact CG2-CD1 3.59Å; V29-L302 HydrophobicContact CG1-CB 4.31Å; V29-L302 HydrophobicContact CG2-CD1 4.48Å; V29-L303 HydrophobicContact CG1-CD2 3.68Å
30G95.6Very high92.9Very high0 Ų056.8 Ų56.80%029%0.293CS..SBendtrans65-158.817100000114.9H55 V56G30-H55 PolarHBondContact O-ND1 3.25Å; G30-H55 VanDerWaalsContact O-ND1 3.08Å; G30-V56 PolarHBondContact N-O 2.8Å
31G94Very high92.8Very high10 Ų1052.1 Ų52.110%0.10329%0.286CS..SBendtrans61.5-167.1-174.700000113.7H55 F178G31-H55 PolarHBondContact O-ND1 2.9Å; G31-F178 PolarHBondContact N-O 3.36Å
32K94.1Very high92.7Very high145 Ų14544.4 Ų44.463%0.6326%0.26SS*.  trans-85.5146172.8-64.7-176.3-179.9-177.60110.4K28 I177K28-K32 VanDerWaalsContact CE-O 3.31Å; K28-K32 WeakPolarHBondContact CE-O 3.46Å; K28-K32 PolarHBondContact NZ-O 3.48Å; K32-I177 HydrophobicContact CG-CD1 4.29Å
33P95.3Very high92.6Very high31 Ų3147.3 Ų47.320%0.20128%0.28CS..  trans-64.1135.2175.225.9-33.5000111.1W35 F75P33-W35 HydrophobicContact CB-CZ2 4.19Å; P33-W35 HydrophobicContact CG-CZ2 4.34Å; P33-F75 HydrophobicContact CB-CZ 4.32Å; P33-F75 HydrophobicContact CG-CE1 4.21Å; P33-F75 HydrophobicContact CG-CZ 4.18Å
34D94.9Very high92.6Very high33 Ų3345.6 Ų45.618%0.17627%0.27CS..  trans-93.298.1171.5-55.6-52.1000109.1S22 T23 F24 K28 Q58S22-D34 WeakPolarHBondContact CB-OD2 3.35Å; S22-D34 PolarHBondContact OG-OD1 2.92Å; S22-D34 VanDerWaalsContact OG-OD1 3.12Å; S22-D34 PolarHBondContact OG-OD2 3.47Å; T23-D34 VanDerWaalsContact C-CB 3.4Å; F24-D34 WeakPolarHBondContact CA-O 3.37Å; F24-D34 VanDerWaalsContact CB-O 3.25Å; F24-D34 WeakPolarHBondContact CB-O 3.32Å; K28-D34 VanDerWaalsContact CE-OD2 3.3Å; K28-D34 WeakPolarHBondContact CE-OD2 3.3Å; K28-D34 IonicContact NZ-OD1 3.05Å; K28-D34 PolarHBondContact NZ-OD1 3.27Å; K28-D34 IonicContact NZ-OD2 3.76Å; K28-D34 PolarHBondContact NZ-OD2 2.99Å; D34-Q58 PolarHBondContact OD2-NE2 3.18Å
35W93.4Very high92.6Very high55 Ų5547 Ų4721%0.20828%0.284CS..  trans-81143.9175.3-58.6101.2000111P33 V39 G41 H73 F75 L92 P336P33-W35 HydrophobicContact CB-CZ2 4.19Å; P33-W35 HydrophobicContact CG-CZ2 4.34Å; W35-V39 HydrophobicContact CE3-CG1 3.82Å; W35-V39 HydrophobicContact CZ3-CG1 4.31Å; W35-G41 VanDerWaalsContact CD1-CA 3.41Å; W35-G41 VanDerWaalsContact CE2-CA 3.47Å; W35-G41 VanDerWaalsContact NE1-CA 3.34Å; W35-H73 AromaticContact CE3-CD2 3.95Å; W35-H73 AromaticContact CE3-NE2 3.71Å; W35-H73 HydrophobicContact CH2-CB 4.18Å; W35-H73 AromaticContact CH2-CD2 3.7Å; W35-H73 AromaticContact CH2-CG 3.94Å; W35-H73 AromaticContact CZ3-CD2 3.38Å; W35-H73 WeakPolarHBondContact CZ3-CD2 3.45Å; W35-H73 AromaticContact CZ3-NE2 3.66Å; W35-F75 HydrophobicContact CH2-CE2 4.47Å; W35-F75 HydrophobicContact CH2-CZ 4.42Å; W35-F75 HydrophobicContact CZ2-CE2 4.38Å; W35-F75 AromaticContact CZ2-CZ 3.9Å; W35-F75 HydrophobicContact CZ2-CZ 3.9Å; W35-L92 HydrophobicContact CH2-CB 4.08Å; W35-L92 HydrophobicContact CH2-CD1 3.93Å; W35-L92 HydrophobicContact CZ2-CD1 4.38Å; W35-P336 HydrophobicContact CH2-CB 4.34Å; W35-P336 HydrophobicContact CH2-CG 4.1Å; W35-P336 HydrophobicContact CZ3-CB 4.06Å; W35-P336 HydrophobicContact CZ3-CG 4.09Å
36S89.3Confident92.6Very high9 Ų943.3 Ų43.36%0.06327%0.265CS..  trans-64.7150.5167.8-177.90000110.1A38 V39 C96S36-A38 PolarHBondContact O-N 3.48Å; S36-A38 VanDerWaalsContact O-N 3.12Å; S36-V39 PolarHBondContact O-N 2.95Å; S36-V39 VanDerWaalsContact O-O 3.06Å; S36-C96 PolarHBondContact OG-SG 3.27Å
37S86.9Confident92.5Very high133 Ų13349.5 Ų49.593%0.9329%0.286SS*.THydrogen-bonded Turntrans-60-23.3176.753.70000113.5V39S37-V39 PolarHBondContact O-N 3.33Å
38A86.7Confident92.3Very high41 Ų4151.4 Ų51.434%0.33930%0.295SS..THydrogen-bonded Turntrans-78.5-6174.800000113.5S36 C96 N334S36-A38 PolarHBondContact O-N 3.48Å; S36-A38 VanDerWaalsContact O-N 3.12Å; A38-C96 HydrophobicContact CB-CB 3.73Å; A38-N334 VanDerWaalsContact O-CB 3.31Å; A38-N334 WeakPolarHBondContact O-CB 3.37Å; A38-N334 VanDerWaalsContact O-CG 3.23Å; A38-N334 PolarHBondContact O-OD1 3.33Å
39V88.3Confident92Very high9 Ų953.7 Ų53.76%0.05531%0.311CS..SBendtrans-122.7125.6-172.7-177.80000109.9W35 S36 S37 G41 N334W35-V39 HydrophobicContact CE3-CG1 3.82Å; W35-V39 HydrophobicContact CZ3-CG1 4.31Å; S36-V39 PolarHBondContact O-N 2.95Å; S36-V39 VanDerWaalsContact O-O 3.06Å; S37-V39 PolarHBondContact O-N 3.33Å; V39-G41 PolarHBondContact O-N 3.48Å; V39-N334 CarbonylContact C-O 3.59Å; V39-N334 VanDerWaalsContact CA-O 3.22Å; V39-N334 WeakPolarHBondContact CA-O 3.37Å; V39-N334 WeakPolarHBondContact CG1-O 3.38Å
40T88.5Confident91.8Very high84 Ų8458.1 Ų58.152%0.51534%0.342SS..  trans-75.5110.6170.9-53.40000108.8N334 P336T40-N334 PolarHBondContact N-O 3.03Å; T40-P336 WeakPolarHBondContact O-CD 3.13Å
41G85.7Confident91.6Very high38 Ų3859.2 Ų59.239%0.39235%0.351SS..  trans-58.1142.1177.600000112.4W35 V39W35-G41 VanDerWaalsContact CD1-CA 3.41Å; W35-G41 VanDerWaalsContact CE2-CA 3.47Å; W35-G41 VanDerWaalsContact NE1-CA 3.34Å; V39-G41 PolarHBondContact O-N 3.48Å
42Q88.6Confident91.6Very high73 Ų7360.2 Ų60.234%0.34136%0.356SS..  trans-122.8146.4176.7-64.7-168.41400110.7L92 P336Q42-L92 HydrophobicContact CB-CD1 3.98Å; Q42-P336 HydrophobicContact CB-CG 4.22Å; Q42-P336 HydrophobicContact CG-CG 3.84Å
43S90Very high91.6Very high85 Ų8553.5 Ų53.559%0.59433%0.327SS*.  trans-116.294.9173-60.70000108
44P94.4Very high91.5Very high21 Ų2152 Ų5214%0.13632%0.317CS..  trans-72157.5-176.928.2-32.8000112L53 F75 T90 L92P44-L53 HydrophobicContact CB-CD1 4.02Å; P44-L53 HydrophobicContact CG-CB 4.32Å; P44-L53 HydrophobicContact CG-CD1 3.96Å; P44-L53 WeakPolarHBondContact O-CB 3.47Å; P44-L53 WeakPolarHBondContact O-CG 3.45Å; P44-L53 PolarHBondContact O-N 2.92Å; P44-F75 HydrophobicContact CG-CB 3.87Å; P44-F75 HydrophobicContact CG-CD1 4.15Å; P44-F75 HydrophobicContact CG-CD2 3.83Å; P44-F75 HydrophobicContact CG-CE2 4.43Å; P44-F75 HydrophobicContact CG-CG 3.69Å; P44-T90 HydrophobicContact CB-CG2 3.95Å; P44-T90 HydrophobicContact CG-CG2 4.07Å; P44-L92 HydrophobicContact CG-CD1 4.29Å
45C94.6Very high91.6Very high73 Ų7350.9 Ų50.949%0.49331%0.311SS..BIsolated β-bridgetrans-111151.6175-61.50000111.4A51C45-A51 WeakPolarHBondContact CA-O 3.44Å
46C94.3Very high91.8Very high3 Ų348.2 Ų48.22%0.0230%0.301CS..  trans-63.3133.4177.4-176.50000111.5I48 C49 S50 A51 L53 C77C46-I48 PolarHBondContact O-N 2.95Å; C46-I48 PolarHBondContact SG-N 2.78Å; C46-C49 VanDerWaalsContact CB-SG 3.56Å; C46-S50 WeakPolarHBondContact O-CA 3.36Å; C46-S50 PolarHBondContact O-N 2.82Å; C46-A51 WeakPolarHBondContact CB-O 3.12Å; C46-A51 PolarHBondContact N-O 2.93Å; C46-L53 HydrophobicContact CB-CD2 3.64Å; C46-C77 HydrophobicContact CB-CB 3.9Å
47R94.7Very high92.2Very high155 Ų15547.9 Ų47.959%0.58530%0.298SS*.THydrogen-bonded Turntrans-75.6-8.3179.2-61.2172.7160.7141.2-1.5113.9G87 E338R47-G87 WeakPolarHBondContact CB-O 3.46Å; R47-G87 PolarHBondContact N-O 3.16Å; R47-E338 IonicContact CZ-OE1 2.67Å; R47-E338 IonicContact CZ-OE2 3.84Å; R47-E338 IonicContact NH1-OE1 3.31Å; R47-E338 PolarHBondContact NH1-OE1 3.17Å; R47-E338 IonicContact NH2-OE1 3.99Å; R47-E338 PolarHBondContact NH2-OE1 3.02Å; R47-E338 IonicContact NH2-OE2 3.76Å; R47-E338 PolarHBondContact NH2-OE2 3.03Å
48I93.5Very high92.7Very high77 Ų7741.5 Ų41.540%0.39525%0.254SS..THydrogen-bonded Turntrans-100.6-54.6-176.1-63.2154.2000110C46 M85C46-I48 PolarHBondContact O-N 2.95Å; C46-I48 PolarHBondContact SG-N 2.78Å; I48-M85 HydrophobicContact CD1-CB 3.64Å; I48-M85 HydrophobicContact CD1-CE 3.7Å; I48-M85 HydrophobicContact CD1-CG 4.27Å; I48-M85 HydrophobicContact CD1-SD 3.81Å; I48-M85 HydrophobicContact CG1-CE 4.43Å; I48-M85 HydrophobicContact CG2-CE 3.97Å
49C92.8Very high93.3Very high52 Ų5240.1 Ų40.135%0.35124%0.241SC..THydrogen-bonded Turntrans-108.5-4.3-176.366.40000114.3C46 A51 C77C46-C49 VanDerWaalsContact CB-SG 3.56Å; C49-A51 PolarHBondContact O-N 3.1Å; C49-A51 VanDerWaalsContact O-N 3.1Å; C49-A51 VanDerWaalsContact SG-CB 3.6Å; C49-C77 PolarHBondContact SG-SG 2.87Å
50S92.9Very high93.7Very high93 Ų9342.5 Ų42.565%0.6525%0.25SC*.  trans64.21.7-176.3-49.70000116.1C46C46-S50 WeakPolarHBondContact O-CA 3.36Å; C46-S50 PolarHBondContact O-N 2.82Å
51A91.4Very high94.1Very high24 Ų2438.8 Ų38.820%0.19823%0.227CC..PPolyproline II helixtrans-65.4149.9174.900000111.7C45 C46 C49 Q79C45-A51 WeakPolarHBondContact CA-O 3.44Å; C46-A51 WeakPolarHBondContact CB-O 3.12Å; C46-A51 PolarHBondContact N-O 2.93Å; C49-A51 PolarHBondContact O-N 3.1Å; C49-A51 VanDerWaalsContact O-N 3.1Å; C49-A51 VanDerWaalsContact SG-CB 3.6Å; A51-Q79 HydrophobicContact CB-CG 3.86Å
52P92.6Very high94.4Very high31 Ų3140 Ų4020%0.20123%0.227CC..BIsolated β-bridgetrans-56.6142.8172.8-22.732.6000112.2E173 I175P52-E173 HydrophobicContact CG-CB 3.91Å; P52-E173 HydrophobicContact CG-CG 4.47Å; P52-I175 HydrophobicContact CB-CD1 4.33Å; P52-I175 HydrophobicContact CB-CG1 3.8Å; P52-I175 HydrophobicContact CB-CG2 4.49Å; P52-I175 HydrophobicContact CG-CG1 4.39Å
53L94.2Very high94.6Very high4 Ų437.9 Ų37.92%0.02122%0.219CC..PPolyproline II helixtrans-89.8136.6177.4-58-177.9000111.3P44 C46 F75 C77 S88 T90P44-L53 HydrophobicContact CB-CD1 4.02Å; P44-L53 HydrophobicContact CG-CB 4.32Å; P44-L53 HydrophobicContact CG-CD1 3.96Å; P44-L53 WeakPolarHBondContact O-CB 3.47Å; P44-L53 WeakPolarHBondContact O-CG 3.45Å; P44-L53 PolarHBondContact O-N 2.92Å; C46-L53 HydrophobicContact CB-CD2 3.64Å; L53-F75 HydrophobicContact CB-CB 3.62Å; L53-F75 HydrophobicContact CD1-CB 4.05Å; L53-F75 HydrophobicContact CG-CB 4.49Å; L53-C77 HydrophobicContact CD2-CB 3.53Å; L53-S88 WeakPolarHBondContact CD2-O 3.25Å; L53-T90 WeakPolarHBondContact CD1-OG1 3.24Å
54A94.7Very high94.5Very high0 Ų042.9 Ų42.90%023%0.232CC..EExtended strand (participates in β ladder)trans-78.7143.4173.500000110.6V56 F75 A76 P176 F178A54-V56 PolarHBondContact O-N 2.71Å; A54-F75 CarbonylContact O-C 3.57Å; A54-F75 WeakPolarHBondContact O-CA 3.3Å; A54-A76 PolarHBondContact N-O 3.34Å; A54-A76 PolarHBondContact O-N 3Å; A54-P176 HydrophobicContact CB-CB 3.91Å; A54-P176 HydrophobicContact CB-CG 4.07Å; A54-P176 VanDerWaalsContact CB-O 3.26Å; A54-P176 WeakPolarHBondContact CB-O 3.46Å; A54-F178 HydrophobicContact CB-CD2 4.27Å; A54-F178 HydrophobicContact CB-CE2 3.59Å; A54-F178 HydrophobicContact CB-CZ 4.09Å
55H96.6Very high94Very high8 Ų846 Ų464%0.03727%0.269CS..EExtended strand (participates in β ladder)trans-77.5120176.9176.8-99.3000110.9G30 G31 V57 H73 F75 F178G30-H55 PolarHBondContact O-ND1 3.25Å; G30-H55 VanDerWaalsContact O-ND1 3.08Å; G31-H55 PolarHBondContact O-ND1 2.9Å; H55-V57 PolarHBondContact NE2-O 2.73Å; H55-H73 AromaticContact NE2-ND1 3.51Å; H55-F75 HydrophobicContact CB-CD1 3.99Å; H55-F75 HydrophobicContact CB-CE1 3.82Å; H55-F75 AromaticContact CD2-CE1 3.78Å; H55-F75 AromaticContact CD2-CZ 3.81Å; H55-F178 WeakPolarHBondContact O-CD2 3.45Å
56V97.3Very high93.7Very high0 Ų044.4 Ų44.40%026%0.258CS..EExtended strand (participates in β ladder)trans-96.1-55.2-173.8-174.10000111.4V29 G30 A54 L74 A76 W89 F178 L295 L299 L303 L314V29-V56 WeakPolarHBondContact CA-O 3.38Å; G30-V56 PolarHBondContact N-O 2.8Å; A54-V56 PolarHBondContact O-N 2.71Å; V56-L74 PolarHBondContact N-O 3.24Å; V56-A76 HydrophobicContact CG2-CB 3.51Å; V56-W89 HydrophobicContact CB-CZ3 4.32Å; V56-W89 HydrophobicContact CG1-CH2 4.28Å; V56-W89 HydrophobicContact CG1-CZ3 4.19Å; V56-W89 HydrophobicContact CG2-CH2 4.23Å; V56-W89 HydrophobicContact CG2-CZ3 3.94Å; V56-F178 HydrophobicContact CG2-CE2 4.3Å; V56-L295 HydrophobicContact CG1-CD1 4.3Å; V56-L299 HydrophobicContact CG1-CD2 4.11Å; V56-L303 HydrophobicContact CG1-CD1 3.73Å; V56-L303 HydrophobicContact CG1-CD2 3.78Å; V56-L303 HydrophobicContact CG1-CG 4.42Å; V56-L314 HydrophobicContact CG2-CD2 4.04Å
57V98.1Very high93.4Very high1 Ų148 Ų481%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-142.5150.5178.2-46.70000111.6K28 V29 H55 V59 H73 L74 L257 L295 L299K28-V57 WeakPolarHBondContact O-CA 3.11Å; V29-V57 HydrophobicContact CG2-CG1 4.45Å; H55-V57 PolarHBondContact NE2-O 2.73Å; V57-V59 HydrophobicContact CG2-CG2 4.01Å; V57-H73 WeakPolarHBondContact O-CA 3.46Å; V57-L74 HydrophobicContact CG2-CB 4.03Å; V57-L74 HydrophobicContact CG2-CD1 3.91Å; V57-L74 HydrophobicContact CG2-CD2 4.23Å; V57-L74 HydrophobicContact CG2-CG 4.27Å; V57-L74 PolarHBondContact N-O 2.73Å; V57-L74 PolarHBondContact O-N 3.24Å; V57-L257 HydrophobicContact CG2-CD1 4.49Å; V57-L295 HydrophobicContact CG1-CD2 3.99Å; V57-L295 HydrophobicContact CG2-CD2 3.96Å; V57-L299 HydrophobicContact CG1-CD1 4.42Å; V57-L299 HydrophobicContact CG1-CD2 3.74Å
58Q97.9Very high93.2Very high0 Ų044.5 Ų44.50%027%0.271CS..EExtended strand (participates in β ladder)trans-120.5128.1166.8170.6178.4-57.900108.9T23 T26 N27 K28 D34 L72 H73T23-Q58 PolarHBondContact O-NE2 3.29Å; T26-Q58 PolarHBondContact O-NE2 2.7Å; N27-Q58 WeakPolarHBondContact CA-O 3.48Å; K28-Q58 HydrophobicContact CG-CB 4.01Å; K28-Q58 PolarHBondContact N-O 3.31Å; K28-Q58 PolarHBondContact O-N 2.68Å; D34-Q58 PolarHBondContact OD2-NE2 3.18Å; Q58-L72 WeakPolarHBondContact CA-O 3.19Å; Q58-H73 PolarHBondContact OE1-CE1 3.39Å
59V98.1Very high93.2Very high11 Ų1142.4 Ų42.47%0.06726%0.26CS..EExtended strand (participates in β ladder)trans-131.1114.4-178.3-176.40000110.6N27 V57 C61 N71 L72 L257 L293N27-V59 WeakPolarHBondContact OD1-CA 3.38Å; V57-V59 HydrophobicContact CG2-CG2 4.01Å; V59-C61 HydrophobicContact CG1-CB 4.22Å; V59-C61 PolarHBondContact O-N 3.2Å; V59-C61 PolarHBondContact O-SG 2.86Å; V59-N71 CarbonylContact O-C 3.59Å; V59-N71 VanDerWaalsContact O-CA 3.32Å; V59-N71 WeakPolarHBondContact O-CA 3.11Å; V59-N71 PolarHBondContact O-OD1 3.39Å; V59-L72 PolarHBondContact N-O 3.41Å; V59-L72 PolarHBondContact O-N 3.36Å; V59-L257 HydrophobicContact CG2-CD1 3.62Å; V59-L293 HydrophobicContact CB-CD1 4.17Å; V59-L293 HydrophobicContact CG1-CD1 4.25Å; V59-L293 HydrophobicContact CG2-CD1 3.89Å
60Y97.4Very high93.2Very high60 Ų6040 Ų4024%0.23524%0.243CC..EExtended strand (participates in β ladder)trans-76.7113.5166.8-178.7-114.6000109.8L25 N27 P62 H69 R70 N71L25-Y60 HydrophobicContact CD2-CD1 4.36Å; L25-Y60 HydrophobicContact CD2-CD2 3.83Å; L25-Y60 HydrophobicContact CD2-CE1 4Å; L25-Y60 HydrophobicContact CD2-CE2 3.43Å; L25-Y60 VanDerWaalsContact CD2-CE2 3.43Å; L25-Y60 HydrophobicContact CD2-CG 4.28Å; N27-Y60 WeakPolarHBondContact OD1-CB 3.29Å; N27-Y60 PolarHBondContact OD1-N 3.03Å; Y60-P62 HydrophobicContact CD1-CG 4.37Å; Y60-P62 HydrophobicContact CE1-CG 3.71Å; Y60-H69 HydrophobicContact CE2-CB 3.96Å; Y60-H69 AromaticContact CE2-ND1 3.75Å; Y60-H69 AromaticContact CZ-ND1 3.68Å; Y60-H69 PolarHBondContact OH-ND1 3.49Å; Y60-R70 WeakPolarHBondContact CD2-O 3.31Å; Y60-N71 WeakPolarHBondContact CA-OD1 3.25Å; Y60-N71 PolarHBondContact N-OD1 2.9Å
61C95.6Very high93.4Very high6 Ų635.7 Ų35.74%0.04121%0.213CC..  trans-14067.6-169.746.40000110.6V59 R70 Y259V59-C61 HydrophobicContact CG1-CB 4.22Å; V59-C61 PolarHBondContact O-N 3.2Å; V59-C61 PolarHBondContact O-SG 2.86Å; C61-R70 CarbonylContact C-O 3.51Å; C61-R70 PolarHBondContact N-O 3.06Å; C61-R70 WeakPolarHBondContact O-CB 3.37Å; C61-R70 WeakPolarHBondContact O-CD 3.32Å; C61-R70 PolarHBondContact O-NH1 2.79Å; C61-R70 PolarHBondContact SG-NH1 2.75Å; C61-Y259 HydrophobicContact CB-CD2 4.43Å; C61-Y259 HydrophobicContact CB-CE2 3.57Å
62P94.1Very high93.7Very high62 Ų6234.6 Ų34.640%0.40320%0.203SC..PPolyproline II helixtrans-61.4147.717629.2-35.5000110.6Y60Y60-P62 HydrophobicContact CD1-CG 4.37Å; Y60-P62 HydrophobicContact CE1-CG 3.71Å
63L91.7Very high93.9Very high30 Ų3033.1 Ų33.116%0.15719%0.194CC..PPolyproline II helixtrans-94.1137.7176.4-61-179.5000110G65 S66 S327L63-G65 PolarHBondContact O-N 3.24Å; L63-S66 VanDerWaalsContact O-CB 3.25Å; L63-S66 WeakPolarHBondContact O-CB 3.47Å; L63-S66 PolarHBondContact O-N 3.17Å; L63-S327 VanDerWaalsContact CD1-CB 3.48Å
64Q87.9Confident94.1Very high189 Ų18933 Ų3388%0.88319%0.193SC*.THydrogen-bonded Turntrans-56.9127.5177.5-169175.318.700110.9S66Q64-S66 VanDerWaalsContact C-N 3.25Å; Q64-S66 PolarHBondContact O-N 3.34Å
65G84.3Confident94.2Very high88 Ų8833.2 Ų33.291%0.90719%0.194SC*.THydrogen-bonded Turntrans76.44.3-179.100000115.2L63L63-G65 PolarHBondContact O-N 3.24Å
66S88.3Confident94.2Very high38 Ų3832.8 Ų32.827%0.26619%0.192SC..  trans-92.7131.4174.4178.40000110.7L63 Q64 F68L63-S66 VanDerWaalsContact O-CB 3.25Å; L63-S66 WeakPolarHBondContact O-CB 3.47Å; L63-S66 PolarHBondContact O-N 3.17Å; Q64-S66 VanDerWaalsContact C-N 3.25Å; Q64-S66 PolarHBondContact O-N 3.34Å; S66-F68 PolarHBondContact O-N 3.39Å; S66-F68 VanDerWaalsContact O-N 3.12Å; S66-F68 WeakPolarHBondContact OG-CD2 3.36Å; S66-F68 PolarHBondContact OG-N 3.21Å
67P88.4Confident94Very high80 Ų8032.8 Ų32.852%0.51919%0.192SC..SBendtrans-80.519.1175.636.6-38000112.6E98P67-E98 WeakPolarHBondContact O-CB 3.35Å; P67-E98 PolarHBondContact O-N 3.4Å
68F89.8Confident93.7Very high80 Ų8033 Ų3335%0.35119%0.194SC..EExtended strand (participates in β ladder)trans-116129.6-175-63.9-82.3000110S66 Q95 C96 A97S66-F68 PolarHBondContact O-N 3.39Å; S66-F68 VanDerWaalsContact O-N 3.12Å; S66-F68 WeakPolarHBondContact OG-CD2 3.36Å; S66-F68 PolarHBondContact OG-N 3.21Å; F68-Q95 HydrophobicContact CB-CB 4.45Å; F68-C96 CarbonylContact C-O 3.59Å; F68-C96 VanDerWaalsContact CA-O 3.26Å; F68-C96 WeakPolarHBondContact CA-O 3.47Å; F68-A97 HydrophobicContact CD1-CB 4.09Å; F68-A97 HydrophobicContact CE1-CB 3.93Å
69H93.1Very high93.2Very high34 Ų3436.9 Ų36.916%0.15721%0.212CC..EExtended strand (participates in β ladder)trans-64.7138.6158.6-63.8-61.3000108.6F24 Y60 Q95 C96F24-H69 HydrophobicContact CE2-CB 3.85Å; F24-H69 AromaticContact CE2-CG 3.81Å; Y60-H69 HydrophobicContact CE2-CB 3.96Å; Y60-H69 AromaticContact CE2-ND1 3.75Å; Y60-H69 AromaticContact CZ-ND1 3.68Å; Y60-H69 PolarHBondContact OH-ND1 3.49Å; H69-Q95 CarbonylContact O-C 3.57Å; H69-Q95 WeakPolarHBondContact O-CA 3.47Å; H69-C96 PolarHBondContact N-O 3.38Å; H69-C96 PolarHBondContact O-N 3.38Å
70R93.9Very high92.5Very high1 Ų140.8 Ų40.80%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-138.1130.7-174.7-178.9176.7-179.4-76.52.3110Y60 C61 R93 S94 Q95 E292 S327Y60-R70 WeakPolarHBondContact CD2-O 3.31Å; C61-R70 CarbonylContact C-O 3.51Å; C61-R70 PolarHBondContact N-O 3.06Å; C61-R70 WeakPolarHBondContact O-CB 3.37Å; C61-R70 WeakPolarHBondContact O-CD 3.32Å; C61-R70 PolarHBondContact O-NH1 2.79Å; C61-R70 PolarHBondContact SG-NH1 2.75Å; R70-R93 HydrophobicContact CG-CG 4.49Å; R70-S94 WeakPolarHBondContact CA-O 3.48Å; R70-Q95 HydrophobicContact CB-CG 4.04Å; R70-Q95 VanDerWaalsContact CD-OE1 3.29Å; R70-Q95 HydrophobicContact CG-CG 3.84Å; R70-E292 IonicContact CZ-OE1 2.85Å; R70-E292 IonicContact CZ-OE2 3.7Å; R70-E292 IonicContact NH1-OE1 3.01Å; R70-E292 PolarHBondContact NH1-OE1 2.72Å; R70-E292 IonicContact NH1-OE2 2.69Å; R70-E292 IonicContact NH2-OE1 3.19Å; R70-E292 PolarHBondContact NH2-OE1 2.64Å; R70-E292 IonicContact NH2-OE2 3.62Å; R70-E292 PolarHBondContact NH2-OE2 3Å; R70-S327 PolarHBondContact NE-OG 3.34Å; R70-S327 VanDerWaalsContact NE-OG 3.15Å
71N95.8Very high91.9Very high3 Ų340.9 Ų40.92%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-128.7145.6179.6-80.9-70.7000111.6F24 V59 Y60 R93 S94F24-N71 WeakPolarHBondContact CD2-ND2 3.29Å; F24-N71 VanDerWaalsContact O-CG 3.24Å; F24-N71 PolarHBondContact O-ND2 3.4Å; F24-N71 PolarHBondContact O-OD1 3.11Å; V59-N71 CarbonylContact O-C 3.59Å; V59-N71 VanDerWaalsContact O-CA 3.32Å; V59-N71 WeakPolarHBondContact O-CA 3.11Å; V59-N71 PolarHBondContact O-OD1 3.39Å; Y60-N71 WeakPolarHBondContact CA-OD1 3.25Å; Y60-N71 PolarHBondContact N-OD1 2.9Å; N71-R93 CarbonylContact O-C 3.54Å; N71-R93 VanDerWaalsContact O-CA 3.32Å; N71-R93 WeakPolarHBondContact O-CA 3.32Å; N71-S94 PolarHBondContact N-O 2.82Å; N71-S94 PolarHBondContact O-N 3.12Å
72L97.4Very high91.6Very high0 Ų041 Ų410%026%0.257CS..EExtended strand (participates in β ladder)trans-114.9125.1166.4-67.1174.1000108.6Q58 V59 L74 R93 L293 T323Q58-L72 WeakPolarHBondContact CA-O 3.19Å; V59-L72 PolarHBondContact N-O 3.41Å; V59-L72 PolarHBondContact O-N 3.36Å; L72-L74 HydrophobicContact CB-CD1 4.31Å; L72-R93 HydrophobicContact CD2-CB 3.65Å; L72-R93 HydrophobicContact CD2-CG 3.95Å; L72-L293 HydrophobicContact CD1-CB 4.46Å; L72-L293 HydrophobicContact CD1-CD1 4.09Å; L72-T323 HydrophobicContact CD1-CG2 4.4Å; L72-T323 HydrophobicContact CD2-CG2 4.13Å
73H97.9Very high91.1Very high0 Ų038.5 Ų38.50%024%0.242CC..EExtended strand (participates in β ladder)trans-113.2126.1171.6-59.8-95.3000108.4W35 H55 V57 Q58 F75 A91 L92W35-H73 AromaticContact CE3-CD2 3.95Å; W35-H73 AromaticContact CE3-NE2 3.71Å; W35-H73 HydrophobicContact CH2-CB 4.18Å; W35-H73 AromaticContact CH2-CD2 3.7Å; W35-H73 AromaticContact CH2-CG 3.94Å; W35-H73 AromaticContact CZ3-CD2 3.38Å; W35-H73 WeakPolarHBondContact CZ3-CD2 3.45Å; W35-H73 AromaticContact CZ3-NE2 3.66Å; H55-H73 AromaticContact NE2-ND1 3.51Å; V57-H73 WeakPolarHBondContact O-CA 3.46Å; Q58-H73 PolarHBondContact OE1-CE1 3.39Å; H73-F75 HydrophobicContact CB-CD2 4.43Å; H73-F75 HydrophobicContact CB-CE2 3.53Å; H73-F75 HydrophobicContact CB-CZ 3.99Å; H73-A91 CarbonylContact O-C 3.49Å; H73-A91 WeakPolarHBondContact O-CA 3.43Å; H73-L92 PolarHBondContact N-O 3.11Å; H73-L92 PolarHBondContact O-N 3.11Å
74L98Very high90.8Very high1 Ų137.7 Ų37.71%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-107.5136.5176.7-77.168000109.5V56 V57 L72 A91 L293 L295 V321V56-L74 PolarHBondContact N-O 3.24Å; V57-L74 HydrophobicContact CG2-CB 4.03Å; V57-L74 HydrophobicContact CG2-CD1 3.91Å; V57-L74 HydrophobicContact CG2-CD2 4.23Å; V57-L74 HydrophobicContact CG2-CG 4.27Å; V57-L74 PolarHBondContact N-O 2.73Å; V57-L74 PolarHBondContact O-N 3.24Å; L72-L74 HydrophobicContact CB-CD1 4.31Å; L74-A91 HydrophobicContact CD1-CB 4.5Å; L74-A91 HydrophobicContact CG-CB 4.32Å; L74-L293 HydrophobicContact CD1-CD2 4.45Å; L74-L293 HydrophobicContact CD2-CD2 4.05Å; L74-L295 HydrophobicContact CD2-CD1 3.45Å; L74-L295 VanDerWaalsContact CD2-CD1 3.45Å; L74-L295 HydrophobicContact CD2-CD2 4.13Å; L74-L295 HydrophobicContact CD2-CG 3.73Å; L74-V321 HydrophobicContact CD1-CG2 4.34Å; L74-V321 HydrophobicContact CD2-CG2 3.72Å; L74-V321 HydrophobicContact CG-CG2 4.21Å
75F97.4Very high90.9Very high5 Ų532.8 Ų32.82%0.02222%0.219CC..EExtended strand (participates in β ladder)trans-125.9145.4179.2-58-98.8000110.2P33 W35 P44 L53 A54 H55 H73 W89 T90 L92P33-F75 HydrophobicContact CB-CZ 4.32Å; P33-F75 HydrophobicContact CG-CE1 4.21Å; P33-F75 HydrophobicContact CG-CZ 4.18Å; W35-F75 HydrophobicContact CH2-CE2 4.47Å; W35-F75 HydrophobicContact CH2-CZ 4.42Å; W35-F75 HydrophobicContact CZ2-CE2 4.38Å; W35-F75 AromaticContact CZ2-CZ 3.9Å; W35-F75 HydrophobicContact CZ2-CZ 3.9Å; P44-F75 HydrophobicContact CG-CB 3.87Å; P44-F75 HydrophobicContact CG-CD1 4.15Å; P44-F75 HydrophobicContact CG-CD2 3.83Å; P44-F75 HydrophobicContact CG-CE2 4.43Å; P44-F75 HydrophobicContact CG-CG 3.69Å; L53-F75 HydrophobicContact CB-CB 3.62Å; L53-F75 HydrophobicContact CD1-CB 4.05Å; L53-F75 HydrophobicContact CG-CB 4.49Å; A54-F75 CarbonylContact O-C 3.57Å; A54-F75 WeakPolarHBondContact O-CA 3.3Å; H55-F75 HydrophobicContact CB-CD1 3.99Å; H55-F75 HydrophobicContact CB-CE1 3.82Å; H55-F75 AromaticContact CD2-CE1 3.78Å; H55-F75 AromaticContact CD2-CZ 3.81Å; H73-F75 HydrophobicContact CB-CD2 4.43Å; H73-F75 HydrophobicContact CB-CE2 3.53Å; H73-F75 HydrophobicContact CB-CZ 3.99Å; F75-W89 CarbonylContact O-C 3.51Å; F75-W89 WeakPolarHBondContact O-CA 3.47Å; F75-T90 PolarHBondContact N-O 3.32Å; F75-T90 PolarHBondContact O-N 3.1Å; F75-L92 HydrophobicContact CD2-CD1 4.29Å; F75-L92 HydrophobicContact CD2-CG 4.35Å; F75-L92 HydrophobicContact CE2-CB 4.26Å; F75-L92 HydrophobicContact CE2-CD1 3.77Å; F75-L92 HydrophobicContact CE2-CG 4.1Å; F75-L92 HydrophobicContact CZ-CD1 4.47Å
76A95.9Very high91.1Very high0 Ų030.6 Ų30.60%019%0.189CC..EExtended strand (participates in β ladder)trans-141.2153.3-178.800000112.5A54 V56 S88 W89 L314A54-A76 PolarHBondContact N-O 3.34Å; A54-A76 PolarHBondContact O-N 3Å; V56-A76 HydrophobicContact CG2-CB 3.51Å; A76-S88 WeakPolarHBondContact CA-O 3.4Å; A76-W89 HydrophobicContact CB-CD2 3.67Å; A76-W89 HydrophobicContact CB-CE3 3.72Å; A76-W89 HydrophobicContact CB-CG 4.36Å; A76-W89 HydrophobicContact CB-CH2 3.76Å; A76-W89 HydrophobicContact CB-CZ2 3.7Å; A76-W89 HydrophobicContact CB-CZ3 3.77Å; A76-L314 HydrophobicContact CB-CD1 3.7Å; A76-L314 HydrophobicContact CB-CD2 3.64Å; A76-L314 HydrophobicContact CB-CG 4.35Å
77C93.8Very high91.2Very high0 Ų030 Ų300%019%0.19CC..  trans-88.3126178-166.90000109.9C46 C49 L53 Q79 C82 S88 L314C46-C77 HydrophobicContact CB-CB 3.9Å; C49-C77 PolarHBondContact SG-SG 2.87Å; L53-C77 HydrophobicContact CD2-CB 3.53Å; C77-Q79 VanDerWaalsContact C-N 3.29Å; C77-C82 HydrophobicContact CB-CB 3.92Å; C77-S88 PolarHBondContact N-O 2.93Å; C77-L314 VanDerWaalsContact O-CD1 3.26Å; C77-L314 WeakPolarHBondContact O-CD1 3.48Å
78C90.4Very high91.5Very high5 Ų526.2 Ų26.23%0.03417%0.165CC..  trans-85.7-0.1176.2-50.80000113.2P176 F178 D312C78-P176 HydrophobicContact CB-CG 4.21Å; C78-F178 WeakPolarHBondContact SG-CZ 3.22Å; C78-D312 HydrophobicContact CB-CB 4.31Å; C78-D312 WeakPolarHBondContact O-CB 3.1Å
79Q87.9Confident91.8Very high81 Ų8122.5 Ų22.538%0.37915%0.148SC..SBendtrans-68.5140.4-178.9-67.4-65.1-65.400111.3A51 C77 G81 C82A51-Q79 HydrophobicContact CB-CG 3.86Å; C77-Q79 VanDerWaalsContact C-N 3.29Å; Q79-G81 PolarHBondContact O-N 3.37Å; Q79-C82 HydrophobicContact CB-CB 4.41Å; Q79-C82 WeakPolarHBondContact O-CB 3.21Å; Q79-C82 PolarHBondContact O-N 3.49Å
80P84.3Confident92Very high94 Ų9421.1 Ų21.161%0.6114%0.142SC*.THydrogen-bonded Turntrans-54.1134.5179.4-27.535.3000112.2C82 D312P80-C82 PolarHBondContact O-N 3.2Å; P80-D312 WeakPolarHBondContact CD-OD1 3.31Å; P80-D312 WeakPolarHBondContact CG-OD1 3.33Å
81G84.4Confident92.2Very high62 Ų6221.1 Ų21.164%0.63914%0.142SC*.THydrogen-bonded Turntrans77.3-7.4-178.800000115.4Q79 M85Q79-G81 PolarHBondContact O-N 3.37Å; G81-M85 WeakPolarHBondContact O-CE 3.45Å
82C90Very high92.2Very high7 Ų721.1 Ų21.15%0.04714%0.142CC..THydrogen-bonded Turntrans-88.4-40.8176.2-69.40000113C77 Q79 P80 G84 M85 S88C77-C82 HydrophobicContact CB-CB 3.92Å; Q79-C82 HydrophobicContact CB-CB 4.41Å; Q79-C82 WeakPolarHBondContact O-CB 3.21Å; Q79-C82 PolarHBondContact O-N 3.49Å; P80-C82 PolarHBondContact O-N 3.2Å; C82-G84 VanDerWaalsContact C-N 3.29Å; C82-G84 PolarHBondContact O-N 3.11Å; C82-G84 VanDerWaalsContact O-N 3.1Å; C82-M85 WeakPolarHBondContact O-CB 3.32Å; C82-M85 PolarHBondContact O-N 3.2Å; C82-S88 WeakPolarHBondContact O-CB 3.5Å; C82-S88 PolarHBondContact O-OG 3.17Å
83S82.3Confident92.1Very high11 Ų1121.1 Ų21.18%0.07714%0.142CC..THydrogen-bonded Turntrans-49.8-39.7-168.357.30000115.2M85 W89 E315S83-M85 VanDerWaalsContact C-N 3.32Å; S83-M85 PolarHBondContact O-N 3.11Å; S83-W89 PolarHBondContact O-NE1 2.85Å; S83-E315 CarbonylContact C-O 3.48Å; S83-E315 VanDerWaalsContact CB-O 3.26Å; S83-E315 WeakPolarHBondContact CB-O 3.22Å; S83-E315 PolarHBondContact OG-O 2.91Å; S83-E315 VanDerWaalsContact OG-O 3.13Å
84G85.1Confident91.9Very high13 Ų1321.3 Ų21.313%0.13414%0.144CC..THydrogen-bonded Turntrans-79.6-1.5179.900000115.9C82C82-G84 VanDerWaalsContact C-N 3.29Å; C82-G84 PolarHBondContact O-N 3.11Å; C82-G84 VanDerWaalsContact O-N 3.1Å
85M89.7Confident91.6Very high86 Ų8621.7 Ų21.742%0.42415%0.146SC..SBendtrans-102.5136.5-175.8-65.5-160.5-100.300112.6I48 G81 C82 S83 G87 S88I48-M85 HydrophobicContact CD1-CB 3.64Å; I48-M85 HydrophobicContact CD1-CE 3.7Å; I48-M85 HydrophobicContact CD1-CG 4.27Å; I48-M85 HydrophobicContact CD1-SD 3.81Å; I48-M85 HydrophobicContact CG1-CE 4.43Å; I48-M85 HydrophobicContact CG2-CE 3.97Å; G81-M85 WeakPolarHBondContact O-CE 3.45Å; C82-M85 WeakPolarHBondContact O-CB 3.32Å; C82-M85 PolarHBondContact O-N 3.2Å; S83-M85 VanDerWaalsContact C-N 3.32Å; S83-M85 PolarHBondContact O-N 3.11Å; M85-G87 PolarHBondContact O-N 2.86Å; M85-G87 VanDerWaalsContact O-N 3.07Å; M85-S88 PolarHBondContact O-N 3.11Å; M85-S88 PolarHBondContact O-OG 3.38Å
86S89.3Confident91.2Very high42 Ų4222 Ų2229%0.29415%0.148SC..G310 helixtrans-58.6-27.7178.8-590000114.2S88 W89 V343S86-S88 VanDerWaalsContact C-N 3.25Å; S86-S88 PolarHBondContact O-N 3.5Å; S86-W89 PolarHBondContact O-N 3.12Å; S86-V343 PolarHBondContact OG-N 3.05Å
87G90.2Very high90.7Very high26 Ų2625.1 Ų25.127%0.26817%0.174SC..G310 helixtrans-73.7-9.517700000115.2R47 M85R47-G87 WeakPolarHBondContact CB-O 3.46Å; R47-G87 PolarHBondContact N-O 3.16Å; M85-G87 PolarHBondContact O-N 2.86Å; M85-G87 VanDerWaalsContact O-N 3.07Å
88S94.3Very high90Very high0 Ų030.4 Ų30.40%020%0.198CC..G310 helixtrans-960.817772.50000113.7L53 A76 C77 C82 M85 S86L53-S88 WeakPolarHBondContact CD2-O 3.25Å; A76-S88 WeakPolarHBondContact CA-O 3.4Å; C77-S88 PolarHBondContact N-O 2.93Å; C82-S88 WeakPolarHBondContact O-CB 3.5Å; C82-S88 PolarHBondContact O-OG 3.17Å; M85-S88 PolarHBondContact O-N 3.11Å; M85-S88 PolarHBondContact O-OG 3.38Å; S86-S88 VanDerWaalsContact C-N 3.25Å; S86-S88 PolarHBondContact O-N 3.5Å
89W96.9Very high89Confident2 Ų233.8 Ų33.81%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-113.4148.6178.8-71.372.4000110.8V56 F75 A76 S83 S86 L295 L314 F316 V319 C341 V343V56-W89 HydrophobicContact CB-CZ3 4.32Å; V56-W89 HydrophobicContact CG1-CH2 4.28Å; V56-W89 HydrophobicContact CG1-CZ3 4.19Å; V56-W89 HydrophobicContact CG2-CH2 4.23Å; V56-W89 HydrophobicContact CG2-CZ3 3.94Å; F75-W89 CarbonylContact O-C 3.51Å; F75-W89 WeakPolarHBondContact O-CA 3.47Å; A76-W89 HydrophobicContact CB-CD2 3.67Å; A76-W89 HydrophobicContact CB-CE3 3.72Å; A76-W89 HydrophobicContact CB-CG 4.36Å; A76-W89 HydrophobicContact CB-CH2 3.76Å; A76-W89 HydrophobicContact CB-CZ2 3.7Å; A76-W89 HydrophobicContact CB-CZ3 3.77Å; S83-W89 PolarHBondContact O-NE1 2.85Å; S86-W89 PolarHBondContact O-N 3.12Å; W89-L295 HydrophobicContact CH2-CD1 4.17Å; W89-L295 HydrophobicContact CZ3-CD1 3.71Å; W89-L314 HydrophobicContact CH2-CD2 3.66Å; W89-L314 HydrophobicContact CZ2-CD1 4.32Å; W89-L314 HydrophobicContact CZ2-CD2 3.73Å; W89-L314 HydrophobicContact CZ2-CG 4.23Å; W89-F316 AromaticContact CH2-CD1 3.7Å; W89-F316 HydrophobicContact CH2-CD1 3.7Å; W89-F316 AromaticContact CH2-CE1 3.71Å; W89-F316 HydrophobicContact CH2-CE1 3.71Å; W89-F316 HydrophobicContact CH2-CG 4.2Å; W89-F316 HydrophobicContact CH2-CZ 4.23Å; W89-F316 HydrophobicContact CZ2-CB 4.14Å; W89-F316 AromaticContact CZ2-CD1 3.47Å; W89-F316 HydrophobicContact CZ2-CD1 3.47Å; W89-F316 VanDerWaalsContact CZ2-CD1 3.47Å; W89-F316 AromaticContact CZ2-CE1 4Å; W89-F316 HydrophobicContact CZ2-CE1 4Å; W89-F316 AromaticContact CZ2-CG 3.82Å; W89-F316 HydrophobicContact CZ2-CG 3.82Å; W89-V319 HydrophobicContact CD2-CG1 4.25Å; W89-V319 HydrophobicContact CD2-CG2 3.99Å; W89-V319 HydrophobicContact CE3-CB 4.49Å; W89-V319 HydrophobicContact CE3-CG1 3.98Å; W89-V319 HydrophobicContact CE3-CG2 3.95Å; W89-V319 HydrophobicContact CH2-CG2 3.67Å; W89-V319 HydrophobicContact CZ2-CG2 3.7Å; W89-V319 HydrophobicContact CZ3-CB 4.48Å; W89-V319 HydrophobicContact CZ3-CG1 4.4Å; W89-V319 HydrophobicContact CZ3-CG2 3.79Å; W89-C341 HydrophobicContact CB-CB 4.04Å; W89-V343 HydrophobicContact CB-CG2 4.21Å; W89-V343 VanDerWaalsContact CD1-CG2 3.45Å; W89-V343 HydrophobicContact CD2-CG2 4.28Å; W89-V343 HydrophobicContact CG-CG2 3.72Å
90T97.3Very high87.6Confident5 Ų535.6 Ų35.63%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-142.7127.9175.1-61.60000109.2P44 L53 F75 L92 E338P44-T90 HydrophobicContact CB-CG2 3.95Å; P44-T90 HydrophobicContact CG-CG2 4.07Å; L53-T90 WeakPolarHBondContact CD1-OG1 3.24Å; F75-T90 PolarHBondContact N-O 3.32Å; F75-T90 PolarHBondContact O-N 3.1Å; T90-L92 HydrophobicContact CG2-CD2 3.96Å; T90-L92 HydrophobicContact CG2-CG 4.17Å; T90-E338 HydrophobicContact CG2-CG 3.81Å
91A97.4Very high85.8Confident0 Ų038.3 Ų38.30%026%0.255CS..EExtended strand (participates in β ladder)trans-105.1126.8170.800000109.2H73 L74 V321 E338 E339 C341H73-A91 CarbonylContact O-C 3.49Å; H73-A91 WeakPolarHBondContact O-CA 3.43Å; L74-A91 HydrophobicContact CD1-CB 4.5Å; L74-A91 HydrophobicContact CG-CB 4.32Å; A91-V321 HydrophobicContact CB-CG1 3.92Å; A91-V321 HydrophobicContact CB-CG2 4.43Å; A91-E338 WeakPolarHBondContact O-CA 3.32Å; A91-E339 HydrophobicContact CB-CB 4.13Å; A91-E339 PolarHBondContact O-N 3.44Å; A91-C341 WeakPolarHBondContact CB-SG 3.43Å; A91-C341 PolarHBondContact N-SG 2.84Å
92L96.5Very high83.6Confident3 Ų343.7 Ų43.72%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-112.8119.1176.9-66.4-174.2000109.2W35 Q42 P44 H73 F75 T90 P336 E338W35-L92 HydrophobicContact CH2-CB 4.08Å; W35-L92 HydrophobicContact CH2-CD1 3.93Å; W35-L92 HydrophobicContact CZ2-CD1 4.38Å; Q42-L92 HydrophobicContact CB-CD1 3.98Å; P44-L92 HydrophobicContact CG-CD1 4.29Å; H73-L92 PolarHBondContact N-O 3.11Å; H73-L92 PolarHBondContact O-N 3.11Å; F75-L92 HydrophobicContact CD2-CD1 4.29Å; F75-L92 HydrophobicContact CD2-CG 4.35Å; F75-L92 HydrophobicContact CE2-CB 4.26Å; F75-L92 HydrophobicContact CE2-CD1 3.77Å; F75-L92 HydrophobicContact CE2-CG 4.1Å; F75-L92 HydrophobicContact CZ-CD1 4.47Å; T90-L92 HydrophobicContact CG2-CD2 3.96Å; T90-L92 HydrophobicContact CG2-CG 4.17Å; L92-P336 HydrophobicContact CB-CB 4.02Å; L92-P336 HydrophobicContact CB-CG 4.43Å; L92-P336 HydrophobicContact CD1-CG 4.11Å; L92-E338 HydrophobicContact CD2-CB 4.21Å; L92-E338 HydrophobicContact CD2-CG 4.13Å
93R95.4Very high81.1Confident0 Ų048.4 Ų48.40%030%0.296CS..EExtended strand (participates in β ladder)trans-95.4130.4172.4-179.8171.154.999.88.5110.1R70 N71 L72 S327 C328 W329 P336 V337 E339R70-R93 HydrophobicContact CG-CG 4.49Å; N71-R93 CarbonylContact O-C 3.54Å; N71-R93 VanDerWaalsContact O-CA 3.32Å; N71-R93 WeakPolarHBondContact O-CA 3.32Å; L72-R93 HydrophobicContact CD2-CB 3.65Å; L72-R93 HydrophobicContact CD2-CG 3.95Å; R93-S327 PolarHBondContact NH1-O 3.07Å; R93-S327 PolarHBondContact NH1-OG 2.93Å; R93-S327 VanDerWaalsContact NH1-OG 3.14Å; R93-C328 VanDerWaalsContact CZ-O 3.27Å; R93-C328 PolarHBondContact NH1-O 3.05Å; R93-C328 PolarHBondContact NH2-O 3.43Å; R93-W329 WeakPolarHBondContact O-CZ3 3.11Å; R93-P336 CarbonylContact O-C 3.48Å; R93-P336 VanDerWaalsContact O-CA 3.26Å; R93-P336 WeakPolarHBondContact O-CA 3.18Å; R93-P336 WeakPolarHBondContact O-CB 3.43Å; R93-V337 PolarHBondContact N-O 3.5Å; R93-V337 PolarHBondContact O-N 3.05Å; R93-E339 HydrophobicContact CB-CG 3.81Å; R93-E339 IonicContact CZ-OE1 3.81Å; R93-E339 IonicContact NE-OE1 2.61Å; R93-E339 PolarHBondContact NE-OE1 3.06Å; R93-E339 IonicContact NH2-OE1 2.87Å; R93-E339 PolarHBondContact NH2-OE1 2.95Å
94S93.6Very high78.9Confident4 Ų452.6 Ų52.63%0.02833%0.325CS..EExtended strand (participates in β ladder)trans-120.4148170.467.60000111.1R70 N71R70-S94 WeakPolarHBondContact CA-O 3.48Å; N71-S94 PolarHBondContact N-O 2.82Å; N71-S94 PolarHBondContact O-N 3.12Å
95Q91.6Very high76.2Confident10 Ų1057.1 Ų57.15%0.04735%0.351CS..EExtended strand (participates in β ladder)trans-136.1139.3172.3-66.1-176.3140.400110.4F68 H69 R70 S327 W329F68-Q95 HydrophobicContact CB-CB 4.45Å; H69-Q95 CarbonylContact O-C 3.57Å; H69-Q95 WeakPolarHBondContact O-CA 3.47Å; R70-Q95 HydrophobicContact CB-CG 4.04Å; R70-Q95 VanDerWaalsContact CD-OE1 3.29Å; R70-Q95 HydrophobicContact CG-CG 3.84Å; Q95-S327 PolarHBondContact NE2-O 3.16Å; Q95-S327 VanDerWaalsContact NE2-O 3.15Å; Q95-S327 PolarHBondContact OE1-OG 2.86Å; Q95-W329 HydrophobicContact CB-CD2 3.8Å; Q95-W329 HydrophobicContact CB-CE3 4.01Å; Q95-W329 HydrophobicContact CB-CG 4.1Å; Q95-W329 HydrophobicContact CG-CD2 4.5Å; Q95-W329 HydrophobicContact CG-CE3 4.33Å; Q95-W329 VanDerWaalsContact O-CE2 3.24Å; Q95-W329 WeakPolarHBondContact O-CZ2 3.26Å; Q95-W329 PolarHBondContact O-NE1 3.35Å
96C87.9Confident73.6Confident12 Ų1258.4 Ų58.48%0.08137%0.365CS..EExtended strand (participates in β ladder)trans-136.6145.317161.20000110S36 A38 F68 H69 E98S36-C96 PolarHBondContact OG-SG 3.27Å; A38-C96 HydrophobicContact CB-CB 3.73Å; F68-C96 CarbonylContact C-O 3.59Å; F68-C96 VanDerWaalsContact CA-O 3.26Å; F68-C96 WeakPolarHBondContact CA-O 3.47Å; H69-C96 PolarHBondContact N-O 3.38Å; H69-C96 PolarHBondContact O-N 3.38Å; C96-E98 PolarHBondContact O-N 3.29Å
97A86.1Confident71Confident64 Ų6464.6 Ų64.653%0.52939%0.39SS..EExtended strand (participates in β ladder)trans-64.7138.2178.400000109F68 A99F68-A97 HydrophobicContact CD1-CB 4.09Å; F68-A97 HydrophobicContact CE1-CB 3.93Å; A97-A99 PolarHBondContact O-N 3.48Å
98E80.1Confident68.3Low112 Ų11269 Ų6952%0.52341%0.411SS..PPolyproline II helixtrans-60.1123.3165.7-170.2169-166.400107.5P67 C96P67-E98 WeakPolarHBondContact O-CB 3.35Å; P67-E98 PolarHBondContact O-N 3.4Å; C96-E98 PolarHBondContact O-N 3.29Å
99A69.7Low65.7Low75 Ų7574.7 Ų74.762%0.6245%0.445SS*.PPolyproline II helixtrans-61.8135.1174.900000107.5A97 N101A97-A99 PolarHBondContact O-N 3.48Å; A99-N101 PolarHBondContact O-N 3.25Å
100P57.6Low62.9Low120 Ų12079.9 Ų79.978%0.77948%0.477SS*.PPolyproline II helixtrans-57.4116.517223.1-30.4000106.9Q102P100-Q102 PolarHBondContact O-N 3.32Å
101N45.7Very low60.2Low150 Ų15084.8 Ų84.880%0.80251%0.509SS*.  trans-46.8102.9176.5-106.4-18.8000108.4A99 S103A99-N101 PolarHBondContact O-N 3.25Å; N101-S103 PolarHBondContact O-N 2.7Å
102Q39.1Very low57.5Low176 Ų17689.2 Ų89.282%0.82254%0.54SS*.  trans-68.5101.2149.3-72.3-173.425.300103.1P100 S104P100-Q102 PolarHBondContact O-N 3.32Å; Q102-S104 PolarHBondContact O-N 2.98Å
103S36.8Very low55.3Low105 Ų10593.8 Ų93.873%0.73458%0.579SS**  trans-62.573.1167.755.80000108.8N101 T105N101-S103 PolarHBondContact O-N 2.7Å; S103-T105 PolarHBondContact O-N 3.31Å
104S37.5Very low53Low99 Ų9999.3 Ų99.369%0.69261%0.612SS**  trans-81.682.8147.157.70000105.1Q102 P106Q102-S104 PolarHBondContact O-N 2.98Å; S104-P106 VanDerWaalsContact O-CD 3.23Å; S104-P106 WeakPolarHBondContact O-CD 3.41Å; S104-P106 VanDerWaalsContact O-N 3.12Å
105T28Very low50.9Low109 Ų109105.6 Ų105.667%0.66965%0.646SS**  trans-45.1118.715033.90000106.5S103 Q107S103-T105 PolarHBondContact O-N 3.31Å; T105-Q107 PolarHBondContact O-N 2.92Å
106P35.3Very low49Very low112 Ų112116.8 Ų116.873%0.72769%0.688SS**  trans-55.8117.2154.1-10.325.3000104S104 V108S104-P106 VanDerWaalsContact O-CD 3.23Å; S104-P106 WeakPolarHBondContact O-CD 3.41Å; S104-P106 VanDerWaalsContact O-N 3.12Å; P106-V108 PolarHBondContact O-N 2.8Å
107Q33.8Very low47.2Very low173 Ų173122 Ų12281%0.80872%0.723SS**  trans-6394164.9-71.1-142.1-36.200105.7T105 V109T105-Q107 PolarHBondContact O-N 2.92Å; Q107-V109 PolarHBondContact O-N 2.92Å
108V34.2Very low45.1Very low117 Ų117127.9 Ų127.971%0.70974%0.739SS**  trans-63.498.4156.6179.50000103.3P106 V110P106-V108 PolarHBondContact O-N 2.8Å; V108-V110 HydrophobicContact CG1-CG2 4.24Å; V108-V110 PolarHBondContact O-N 3.14Å
109V38.8Very low43.8Very low120 Ų120128.2 Ų128.273%0.72775%0.754SS**  trans-62.295.5161.7-1800000104.2Q107 P111Q107-V109 PolarHBondContact O-N 2.92Å; V109-P111 WeakPolarHBondContact O-CD 3.38Å
110V38.5Very low42.8Very low111 Ų111128.3 Ų128.367%0.67376%0.755SS**  trans-63.2113.3169.8-178.30000105.3V108 S112V108-V110 HydrophobicContact CG1-CG2 4.24Å; V108-V110 PolarHBondContact O-N 3.14Å; V110-S112 PolarHBondContact O-N 3.16Å
111P41.2Very low42.7Very low108 Ų108130.4 Ų130.470%0.70176%0.76SS**  trans-63.7130.8166.7-9.426.3000106.5V109 A113V109-P111 WeakPolarHBondContact O-CD 3.38Å; P111-A113 PolarHBondContact O-N 2.84Å; P111-A113 VanDerWaalsContact O-N 3.13Å
112S40.5Very low43.1Very low93 Ų93129.7 Ų129.765%0.6576%0.756SS**  trans-47120.5175.71760000110.4V110 T114V110-S112 PolarHBondContact O-N 3.16Å; S112-T114 PolarHBondContact O-N 2.82Å; S112-T114 PolarHBondContact OG-OG1 2.8Å
113A49.6Very low44.4Very low100 Ų100133.7 Ų133.783%0.82676%0.763SS**SBendtrans-74.471177.800000110.8P111P111-A113 PolarHBondContact O-N 2.84Å; P111-A113 VanDerWaalsContact O-N 3.13Å
114T47.3Very low44.7Very low115 Ų115130.9 Ų130.971%0.70675%0.751SS**  trans-12613.7178.431.60000114.2S112S112-T114 PolarHBondContact O-N 2.82Å; S112-T114 PolarHBondContact OG-OG1 2.8Å
115D49.2Very low44.3Very low137 Ų137135.1 Ų135.173%0.73376%0.762SS**SBendtrans-138.923.9-175.1-142.513.5000114.9
116W52.3Low45.2Very low244 Ų244138.5 Ų138.592%0.92477%0.77SS**SBendtrans-123.220.6-177.7-88.367.2000114.1
117C50.4Low45.3Very low121 Ų121145.1 Ų145.182%0.81878%0.781SS**SBendtrans-149.453.5178.1-77.30000112.8
118E42.3Very low45.4Very low188 Ų188144.9 Ų144.988%0.87978%0.78SS**SBendtrans-120.33.7170.5-82.5-164.1170.100115.3
119S51.2Low45.5Very low119 Ų119147.9 Ų147.983%0.83279%0.786SS**SBendtrans-141.221.1-179.756.20000115.3D121S119-D121 VanDerWaalsContact C-N 3.31Å; S119-D121 PolarHBondContact O-N 3.36Å
120A49.6Very low45Very low78 Ų78149.7 Ų149.765%0.64579%0.792SS**SBendtrans-91.620.7176.800000114.1
121D54.9Low44.6Very low163 Ų163150.8 Ų150.887%0.87279%0.794SS**  trans-133.870.2177.1-75.2-40.1000110.8S119S119-D121 VanDerWaalsContact C-N 3.31Å; S119-D121 PolarHBondContact O-N 3.36Å
122D54.3Low44.3Very low135 Ų135150.5 Ų150.572%0.72279%0.794SS**  trans-147.378.2158.1-163.36.3000111.3G124D122-G124 PolarHBondContact OD1-N 3.29Å
123W66.1Low43.8Very low260 Ų260149.4 Ų149.499%0.98580%0.798SS**  trans-105.149.6168.4-73.498000110.1
124G43.3Very low43Very low46 Ų46150.5 Ų150.547%0.47480%0.798SS.*  trans-134.892.9-171.800000116.4D122D122-G124 PolarHBondContact OD1-N 3.29Å
125M30.6Very low42.1Very low189 Ų189157 Ų15793%0.93181%0.81SS**  trans69.9138.8144.5-58.7-65.6-158.600121
126E45.9Very low41.2Very low179 Ų179154.4 Ų154.484%0.83682%0.815SS**  trans-57.1148.8-176.2-54.2171.4168.700115.9
127R36.9Very low40Very low251 Ų251146.2 Ų146.295%0.94781%0.806SS**  trans-169.5151134.6-102.7160-161.9-121.64.1113.3
128E36.5Very low39Very low169 Ų169148.3 Ų148.379%0.7981%0.809SS**  trans-77.7165.1-170.7-55.6177.5139.400115.2
129E35.5Very low38.5Very low180 Ų180146 Ų14684%0.84180%0.803SS**  trans62.5132.7158.8-66.117317800116.1
130D28.4Very low37.6Very low157 Ų157148.2 Ų148.284%0.8480%0.8SS**  cis-178.817648.9-161.33.6000109.6
131D31.2Very low36.6Very low134 Ų134151.7 Ų151.772%0.71780%0.802SS**  trans-44.8165.9-175.5-17032.7000121.4
132S35.1Very low35.5Very low102 Ų102151.8 Ų151.871%0.71380%0.798SS**  trans103.5110.3141.470.70000122.1
133G29.6Very low34.2Very low70 Ų70154.8 Ų154.872%0.72281%0.807SS**  101.4104.4108.200000122.3
134C31.7Very low32.4Very low123 Ų123147.6 Ų147.683%0.83180%0.797SS**  75.7122.8126.3-650000124.4
135R29.6Very low31.8Very low253 Ų253154.7 Ų154.796%0.95582%0.818SS**  66.9135.3126.5-87.8-177.9161.1-137.8-2.2122.4
136G28.7Very low31.5Very low81 Ų81152.3 Ų152.384%0.83581%0.809SS**  trans152.5109.4137.500000114.4
137G27.9Very low30.8Very low72 Ų72152 Ų15274%0.74281%0.812SS**  trans-92173.8175.200000114.3
138N30.4Very low30.3Very low166 Ų166147.8 Ų147.889%0.88880%0.803SS**  -177149.4126-112.113.7000113.3
139D31.4Very low29.7Very low138 Ų138146 Ų14674%0.73880%0.804SS**  trans-66.2157172.3-68-61.6000115.4
140H31.6Very low29.3Very low167 Ų167145.2 Ų145.277%0.77380%0.8SS**  173.7113.4129.2-91.8-49.9000108.7
141Q29.6Very low29.2Very low150 Ų150144.4 Ų144.470%0.70180%0.8SS**  92.5105.373.4-165.6156.223.800114.3
142Q30.4Very low29.1Very low166 Ų166142.5 Ų142.578%0.77680%0.798SS**  trans26.8130.4145.1-71.9167.5-14.100120.9
143Q27.3Very low29.1Very low197 Ų197143 Ų14392%0.92180%0.799SS**  -158.3136.4122.1-110.6165.341.600112.6
144S29.4Very low28.9Very low109 Ų109145.5 Ų145.576%0.76280%0.8SS**  trans-101139.9176.3490000109.9
145E29.8Very low28.8Very low195 Ų195146.6 Ų146.691%0.91180%0.803SS**  trans-137.3122.4159.7-74.8-169119.700111.1
146D25.5Very low28.8Very low140 Ų140139.4 Ų139.475%0.74979%0.79SS**  trans-73147.5169.5-98.2-41.9000111.1
147L29.6Very low29.1Very low173 Ų173141.5 Ų141.591%0.90679%0.792SS**  trans-147.6101.8152.7-103.3136.6000110.2
148Q26.9Very low29.5Very low161 Ų161145.7 Ų145.775%0.75279%0.794SS**  trans-75.7142.4168.7-65.3171.8-3.300110.2
149T24.6Very low30Very low131 Ų131143.2 Ų143.280%0.80478%0.781SS**  trans-147.2106.2152.4-62.10000109.1
150E26.6Very low30.4Very low165 Ų165142.2 Ų142.277%0.77178%0.779SS**  trans-85.6130168.1-80.6-86.2146.100110.1
151V26.8Very low31Very low139 Ų139137.8 Ų137.884%0.84277%0.767SS**  trans-154.4112.6144.5-164.80000110.3
152S28.2Very low31.6Very low94 Ų94134.6 Ų134.666%0.65776%0.761SS**  trans-80.2175.7161.5-71.20000110.5
153P36.6Very low32Very low114 Ų114129.5 Ų129.574%0.7475%0.753SS**  cis-144.4174.81739.7-18.3000116
154T25.2Very low32.7Very low122 Ų122125.5 Ų125.575%0.74874%0.737SS**  171.3107.7124.6-65.60000108.9C156T154-C156 PolarHBondContact O-N 2.79Å
155V28.7Very low33.3Very low146 Ų146128.4 Ų128.489%0.88574%0.739SS**  trans-73115172.3-80.50000109.8
156C29Very low34Very low101 Ų101127.9 Ų127.968%0.68274%0.737SS**  trans-90.2113.2158.8-76.60000107.8T154 M158T154-C156 PolarHBondContact O-N 2.79Å; C156-M158 VanDerWaalsContact C-N 3.34Å; C156-M158 PolarHBondContact O-N 2.91Å
157S35.3Very low34.6Very low125 Ų125126.5 Ų126.587%0.87473%0.729SS**  trans-60.794.7167.7169.40000108.8
158M36.7Very low34.8Very low161 Ų161123.1 Ų123.179%0.79372%0.719SS**  trans-89.9121.5167.6-67.2-172.9176.100108.3C156 V160C156-M158 VanDerWaalsContact C-N 3.34Å; C156-M158 PolarHBondContact O-N 2.91Å; M158-V160 PolarHBondContact O-N 2.99Å; M158-V160 VanDerWaalsContact O-N 3.08Å
159D40.3Very low35.4Very low114 Ų114122.7 Ų122.761%0.6172%0.721SS**  trans-63.9102.5179.9-169.3-2.5000110.1S161D159-S161 PolarHBondContact O-N 2.92Å; D159-S161 VanDerWaalsContact O-N 3.12Å; D159-S161 WeakPolarHBondContact OD1-CB 3.12Å; D159-S161 PolarHBondContact OD1-N 3.02Å; D159-S161 VanDerWaalsContact OD1-N 3.15Å
160V41.2Very low36.3Very low117 Ų117121.8 Ų121.871%0.70972%0.716SS**THydrogen-bonded Turntrans-66.6-9.2179-173.90000111.2M158 S162M158-V160 PolarHBondContact O-N 2.99Å; M158-V160 VanDerWaalsContact O-N 3.08Å; V160-S162 PolarHBondContact O-N 2.82Å
161S43.5Very low37Very low74 Ų74122 Ų12252%0.51772%0.717SS.*THydrogen-bonded Turntrans-74-19.4-179-171.50000114.3D159D159-S161 PolarHBondContact O-N 2.92Å; D159-S161 VanDerWaalsContact O-N 3.12Å; D159-S161 WeakPolarHBondContact OD1-CB 3.12Å; D159-S161 PolarHBondContact OD1-N 3.02Å; D159-S161 VanDerWaalsContact OD1-N 3.15Å
162S42.5Very low38Very low82 Ų82120.8 Ų120.857%0.57371%0.714SS**SBendtrans-91.1-20.8-174.8-36.80000113.8V160V160-S162 PolarHBondContact O-N 2.82Å
163G38.6Very low39.4Very low59 Ų59122.4 Ų122.461%0.60871%0.711SS**SBendtrans-87.7-11.7-17900000114.9
164L42.7Very low41.1Very low113 Ų113124.3 Ų124.359%0.59272%0.715SS**G310 helixtrans-86.9-10.6-178.8-87.1159.3000113.8Q166 L167L164-Q166 VanDerWaalsContact C-N 3.27Å; L164-Q166 PolarHBondContact O-N 2.78Å; L164-L167 HydrophobicContact CD2-CD1 4.27Å
165Q41.8Very low44Very low171 Ų171121.6 Ų121.680%0.79970%0.696SS**G310 helixtrans-83.5-0.6179.5-74.71744.200113.8
166Q43.2Very low46.8Very low183 Ų183115.3 Ų115.386%0.85566%0.658SS**G310 helixtrans-119.37.3-179.7-139155.417.500113.9L164 S168L164-Q166 VanDerWaalsContact C-N 3.27Å; L164-Q166 PolarHBondContact O-N 2.78Å; Q166-S168 PolarHBondContact O-N 3.18Å
167L38Very low49.8Very low112 Ų112113 Ų11359%0.58664%0.638SS**  trans-87.690.9153.9-71164.4000105.7L164 L169L164-L167 HydrophobicContact CD2-CD1 4.27Å; L167-L169 PolarHBondContact O-N 2.85Å
168S34.7Very low52.6Low101 Ų101107 Ų10771%0.70660%0.596SS**  trans-63.886.6151.960.40000105.6Q166 V170Q166-S168 PolarHBondContact O-N 3.18Å; S168-V170 PolarHBondContact O-N 3.02Å
169L40.5Very low55.3Low152 Ų152100.7 Ų100.780%0.79657%0.568SS**  trans-60.980.5153-74.8166000104.6L167 E171L167-L169 PolarHBondContact O-N 2.85Å; L169-E171 VanDerWaalsContact C-N 3.27Å; L169-E171 PolarHBondContact O-N 3.21Å
170V43.2Very low58Low113 Ų11396.3 Ų96.369%0.68555%0.545SS*.  trans-62108154.4-172.40000102.1S168 S172S168-V170 PolarHBondContact O-N 3.02Å; V170-S172 PolarHBondContact O-N 3.42Å
171E40.7Very low60.6Low170 Ų17092.5 Ų92.579%0.79452%0.519SS*.  trans-41.8128.8168.4-64.7177137.700106.7L169 E173L169-E171 VanDerWaalsContact C-N 3.27Å; L169-E171 PolarHBondContact O-N 3.21Å; E171-E173 PolarHBondContact O-N 2.76Å
172S47.1Very low63.2Low112 Ų11291.5 Ų91.578%0.78351%0.506SS*.  trans-64.685.6-173.453.70000109.6V170 D174V170-S172 PolarHBondContact O-N 3.42Å; S172-D174 PolarHBondContact O-N 2.87Å
173E57.2Low65.8Low129 Ų12988.3 Ų88.360%0.60348%0.482SS*.  trans-51.9133.8153.6-64.8-77.9135.100106.2P52 E171 I175P52-E173 HydrophobicContact CG-CB 3.91Å; P52-E173 HydrophobicContact CG-CG 4.47Å; E171-E173 PolarHBondContact O-N 2.76Å; E173-I175 WeakPolarHBondContact O-CG1 3.3Å; E173-I175 PolarHBondContact O-N 3.15Å
174D74.1Confident68.6Low154 Ų15487.4 Ų87.482%0.82447%0.466SS*.  trans-66.578.2-178.7-73-47.2000110.2S172S172-D174 PolarHBondContact O-N 2.87Å
175I84.6Confident71.2Confident65 Ų6585.3 Ų85.333%0.33346%0.458SS..  trans-65.9125.2176.4-54.3-177.1000107.4P52 E173 I177P52-I175 HydrophobicContact CB-CD1 4.33Å; P52-I175 HydrophobicContact CB-CG1 3.8Å; P52-I175 HydrophobicContact CB-CG2 4.49Å; P52-I175 HydrophobicContact CG-CG1 4.39Å; E173-I175 WeakPolarHBondContact O-CG1 3.3Å; E173-I175 PolarHBondContact O-N 3.15Å; I175-I177 PolarHBondContact O-N 3.4Å
176P87.8Confident73.7Confident14 Ų1478.5 Ų78.59%0.09143%0.428CS..  trans-61.3135.3177.3-8.618.4000110.2A54 C78A54-P176 HydrophobicContact CB-CB 3.91Å; A54-P176 HydrophobicContact CB-CG 4.07Å; A54-P176 VanDerWaalsContact CB-O 3.26Å; A54-P176 WeakPolarHBondContact CB-O 3.46Å; C78-P176 HydrophobicContact CB-CG 4.21Å
177I92.4Very high76.1Confident51 Ų5173.2 Ų73.226%0.26240%0.404SS..  trans-117.6127.5176-57.7176.6000108.5K32 I175 R305 T306K32-I177 HydrophobicContact CG-CD1 4.29Å; I175-I177 PolarHBondContact O-N 3.4Å; I177-R305 WeakPolarHBondContact O-CA 3.33Å; I177-T306 HydrophobicContact CG2-CG2 4.34Å; I177-T306 PolarHBondContact O-N 3.12Å; I177-T306 PolarHBondContact O-OG1 3.27Å
178F93.9Very high78.6Confident0 Ų070.3 Ų70.30%039%0.387CS..BIsolated β-bridgetrans-87.5151.1173.1-59-63.1000111.6G31 A54 H55 V56 C78 L303 Q304 R305 L314G31-F178 PolarHBondContact N-O 3.36Å; A54-F178 HydrophobicContact CB-CD2 4.27Å; A54-F178 HydrophobicContact CB-CE2 3.59Å; A54-F178 HydrophobicContact CB-CZ 4.09Å; H55-F178 WeakPolarHBondContact O-CD2 3.45Å; V56-F178 HydrophobicContact CG2-CE2 4.3Å; C78-F178 WeakPolarHBondContact SG-CZ 3.22Å; F178-L303 HydrophobicContact CB-CD2 4.37Å; F178-L303 HydrophobicContact CD1-CB 3.91Å; F178-L303 VanDerWaalsContact CD1-O 3.23Å; F178-L303 WeakPolarHBondContact CD1-O 3.48Å; F178-L303 HydrophobicContact CD2-CD2 3.88Å; F178-L303 HydrophobicContact CE1-CB 3.92Å; F178-L303 VanDerWaalsContact CE1-O 3.26Å; F178-L303 WeakPolarHBondContact CE1-O 3.36Å; F178-L303 HydrophobicContact CE2-CD2 4.28Å; F178-L303 HydrophobicContact CG-CB 4.22Å; F178-L303 HydrophobicContact CG-CD2 4.04Å; F178-L303 HydrophobicContact CZ-CB 4.25Å; F178-Q304 CarbonylContact C-O 3.58Å; F178-Q304 VanDerWaalsContact CA-O 3.27Å; F178-Q304 WeakPolarHBondContact CA-O 3.49Å; F178-R305 HydrophobicContact CD1-CG 4.14Å; F178-R305 HydrophobicContact CE1-CG 3.99Å; F178-L314 HydrophobicContact CZ-CB 4.19Å; F178-L314 HydrophobicContact CZ-CD2 4.45Å
179C93.7Very high81.1Confident29 Ų2969.1 Ų69.120%0.19638%0.378CS..PPolyproline II helixtrans-54.8129.9170.7-67.80000110.2F181 Q304C179-F181 HydrophobicContact CB-CE2 3.74Å; C179-F181 HydrophobicContact CB-CZ 4.24Å; C179-F181 VanDerWaalsContact O-CD2 3.31Å; C179-F181 WeakPolarHBondContact O-CD2 3.26Å; C179-F181 WeakPolarHBondContact O-CE2 3.16Å; C179-Q304 PolarHBondContact N-O 2.67Å
180P96.1Very high83.3Confident21 Ų2166.7 Ų66.714%0.13636%0.363CS..PPolyproline II helixtrans-86.9136.9-17435.5-36.8000112L15 V29L15-P180 HydrophobicContact CB-CB 3.99Å; L15-P180 HydrophobicContact CB-CG 4.2Å; L15-P180 HydrophobicContact CD2-CB 4.22Å; L15-P180 HydrophobicContact CD2-CG 4.38Å; L15-P180 PolarHBondContact N-O 2.89Å; L15-P180 WeakPolarHBondContact O-CG 3.29Å; V29-P180 CarbonylContact O-C 3.52Å; V29-P180 WeakPolarHBondContact O-CA 3.45Å
181F96.9Very high85Confident38 Ų3864 Ų6417%0.16734%0.344CS..EExtended strand (participates in β ladder)trans-133.5145.6176.7-62.5-91.2000111G13 E14 K28 V29 C179 L302G13-F181 CarbonylContact O-C 3.43Å; G13-F181 WeakPolarHBondContact O-CA 3.49Å; G13-F181 WeakPolarHBondContact O-CB 3.41Å; E14-F181 HydrophobicContact CB-CD1 4.21Å; E14-F181 HydrophobicContact CB-CE1 4.08Å; E14-F181 HydrophobicContact CG-CE1 4.4Å; K28-F181 CarbonylContact C-O 3.52Å; K28-F181 WeakPolarHBondContact CA-O 3.47Å; K28-F181 VanDerWaalsContact CB-O 3.26Å; K28-F181 WeakPolarHBondContact CB-O 3.41Å; V29-F181 HydrophobicContact CB-CB 4.33Å; V29-F181 PolarHBondContact N-O 3.21Å; V29-F181 PolarHBondContact O-N 3.01Å; C179-F181 HydrophobicContact CB-CE2 3.74Å; C179-F181 HydrophobicContact CB-CZ 4.24Å; C179-F181 VanDerWaalsContact O-CD2 3.31Å; C179-F181 WeakPolarHBondContact O-CD2 3.26Å; C179-F181 WeakPolarHBondContact O-CE2 3.16Å; F181-L302 HydrophobicContact CD2-CB 4.37Å; F181-L302 HydrophobicContact CE2-CB 4.44Å
182F97.6Very high86.3Confident53 Ų5358.3 Ų58.323%0.23232%0.323CS..EExtended strand (participates in β ladder)trans-70.3146.3170.3-72.8-76.8000111D12 G13 L15 Y20 T26D12-F182 HydrophobicContact CB-CB 4.04Å; D12-F182 PolarHBondContact N-O 3.14Å; G13-F182 PolarHBondContact O-N 2.13Å; L15-F182 HydrophobicContact CB-CD2 4.02Å; L15-F182 HydrophobicContact CB-CE2 3.87Å; L15-F182 HydrophobicContact CB-CZ 4.29Å; L15-F182 HydrophobicContact CD1-CD1 3.7Å; L15-F182 HydrophobicContact CD1-CD2 4.16Å; L15-F182 HydrophobicContact CD1-CE1 3.34Å; L15-F182 HydrophobicContact CD1-CE2 3.84Å; L15-F182 HydrophobicContact CD1-CG 4.1Å; L15-F182 HydrophobicContact CD1-CZ 3.42Å; L15-F182 VanDerWaalsContact CD1-CZ 3.42Å; L15-F182 HydrophobicContact CG-CD2 4.3Å; L15-F182 HydrophobicContact CG-CE1 4.14Å; L15-F182 HydrophobicContact CG-CE2 3.77Å; L15-F182 HydrophobicContact CG-CZ 3.67Å; Y20-F182 HydrophobicContact CD2-CE2 4.14Å; Y20-F182 HydrophobicContact CD2-CZ 4.38Å; Y20-F182 HydrophobicContact CG-CE2 4.38Å; Y20-F182 HydrophobicContact CG-CZ 4.16Å; T26-F182 HydrophobicContact CG2-CD1 3.82Å; T26-F182 HydrophobicContact CG2-CE1 3.64Å
183I98.1Very high86.8Confident15 Ų1559.8 Ų59.88%0.07732%0.318CS..EExtended strand (participates in β ladder)trans-108.5115.9171.3-57.4173.1000108.5L10 N27 K28 V29 I256L10-I183 CarbonylContact O-C 3.5Å; L10-I183 VanDerWaalsContact O-CA 3.27Å; L10-I183 WeakPolarHBondContact O-CA 3.32Å; N27-I183 HydrophobicContact CB-CB 3.83Å; N27-I183 HydrophobicContact CB-CG2 4.46Å; N27-I183 PolarHBondContact O-N 3.15Å; K28-I183 VanDerWaalsContact C-CD1 3.46Å; V29-I183 HydrophobicContact CG2-CD1 3.82Å; V29-I183 HydrophobicContact CG2-CG1 3.82Å; I183-I256 HydrophobicContact CD1-CD1 4.41Å; I183-I256 HydrophobicContact CG1-CD1 4Å; I183-I256 HydrophobicContact CG2-CD1 4.49Å
184S96.8Very high86.6Confident39 Ų3961 Ų6127%0.27332%0.323SS..EExtended strand (participates in β ladder)trans-82.2146.5166178.60000109.7G9 L10G9-S184 CarbonylContact C-O 3.51Å; G9-S184 WeakPolarHBondContact CA-O 3.34Å; L10-S184 PolarHBondContact N-O 3.33Å; L10-S184 PolarHBondContact O-N 3.01Å
185V96.4Very high85.7Confident69 Ų6958.8 Ų58.842%0.41831%0.311SS..EExtended strand (participates in β ladder)trans-120.3125.7-176.6-176.60000108.6L7 I8L7-V185 HydrophobicContact CB-CG1 3.88Å; L7-V185 HydrophobicContact CD1-CG1 4.15Å; L7-V185 HydrophobicContact CD2-CG1 4.34Å; L7-V185 HydrophobicContact CG-CG1 4.35Å; I8-V185 WeakPolarHBondContact O-CA 3.2Å
186V94.9Very high84.4Confident29 Ų2961.6 Ų61.618%0.17633%0.327CS..EExtended strand (participates in β ladder)trans-127.6152.1177.7-60.20000109.8L7 I8 L10 L191L7-V186 WeakPolarHBondContact CA-O 3.24Å; I8-V186 HydrophobicContact CB-CG2 3.92Å; I8-V186 HydrophobicContact CG2-CG2 4.32Å; I8-V186 PolarHBondContact N-O 2.85Å; I8-V186 PolarHBondContact O-N 2.77Å; L10-V186 HydrophobicContact CD1-CG1 4.36Å; L10-V186 HydrophobicContact CD1-CG2 3.99Å; L10-V186 HydrophobicContact CG-CG2 4.43Å; V186-L191 HydrophobicContact CG2-CD1 4.15Å; V186-L191 HydrophobicContact CG2-CD2 4.32Å; V186-L191 HydrophobicContact CG2-CG 4.39Å
187E93.9Very high83.1Confident72 Ų7267.9 Ų67.934%0.33636%0.355SS..EExtended strand (participates in β ladder)trans-81.7140.9173.2-53.9-164.6162.500110.2T5 L7 S189 E190T5-E187 HydrophobicContact CG2-CB 4.11Å; T5-E187 VanDerWaalsContact CG2-CD 3.47Å; T5-E187 HydrophobicContact CG2-CG 3.88Å; L7-E187 HydrophobicContact CD2-CG 3.8Å; E187-S189 PolarHBondContact O-N 3.1Å; E187-E190 HydrophobicContact CB-CG 4Å; E187-E190 PolarHBondContact N-OE2 3.35Å; E187-E190 VanDerWaalsContact N-OE2 3.14Å; E187-E190 WeakPolarHBondContact O-CB 3.29Å; E187-E190 PolarHBondContact O-N 2.7Å; E187-E190 VanDerWaalsContact O-N 3.11Å
188E89.8Confident81.9Confident51 Ų5169.9 Ų69.924%0.23837%0.366CS..Hα-helixtrans-59.4-33.7177.8-172.5178.8-108.700111.6L6 I8 E190 L191 C192 L251 R258L6-E188 HydrophobicContact CB-CB 4.21Å; L6-E188 HydrophobicContact CD2-CB 4.17Å; L6-E188 HydrophobicContact CD2-CG 4.3Å; L6-E188 WeakPolarHBondContact CD2-OE1 3.11Å; L6-E188 WeakPolarHBondContact CD2-OE2 3.48Å; L6-E188 HydrophobicContact CG-CB 4.11Å; L6-E188 PolarHBondContact O-N 2.89Å; I8-E188 HydrophobicContact CD1-CB 3.92Å; I8-E188 HydrophobicContact CD1-CG 3.94Å; I8-E188 HydrophobicContact CG1-CB 4.37Å; E188-E190 VanDerWaalsContact C-N 3.32Å; E188-E190 PolarHBondContact O-N 2.96Å; E188-L191 PolarHBondContact O-N 3.48Å; E188-L191 VanDerWaalsContact O-N 3.16Å; E188-C192 PolarHBondContact O-N 2.69Å; E188-C192 PolarHBondContact O-SG 3.16Å; E188-C192 VanDerWaalsContact O-SG 3.37Å; E188-L251 HydrophobicContact CG-CD2 3.67Å; E188-R258 IonicContact OE1-CZ 3.13Å; E188-R258 IonicContact OE1-NH2 2.89Å; E188-R258 PolarHBondContact OE1-NH2 3.01Å
189S87.1Confident80.9Confident75 Ų7576.2 Ų76.252%0.52440%0.395SS..Hα-helixtrans-62.4-32.8176.334.80000113.9E187 L191 C192E187-S189 PolarHBondContact O-N 3.1Å; S189-L191 PolarHBondContact O-N 2.61Å; S189-C192 PolarHBondContact O-N 3.38Å
190E86.9Confident80.1Confident101 Ų10180.5 Ų80.547%0.47241%0.412SS..Hα-helixtrans-70.9-20.4177.4-65.4168.8168.600112E187 E188E187-E190 HydrophobicContact CB-CG 4Å; E187-E190 PolarHBondContact N-OE2 3.35Å; E187-E190 VanDerWaalsContact N-OE2 3.14Å; E187-E190 WeakPolarHBondContact O-CB 3.29Å; E187-E190 PolarHBondContact O-N 2.7Å; E187-E190 VanDerWaalsContact O-N 3.11Å; E188-E190 VanDerWaalsContact C-N 3.32Å; E188-E190 PolarHBondContact O-N 2.96Å
191L79.9Confident79.3Confident56 Ų5681.6 Ų81.629%0.29342%0.423SS..Hα-helixtrans-87.1-15.1176.1-55.3-178.6000112.5I8 V186 E188 S189 E193 L251 C252I8-L191 HydrophobicContact CD1-CD1 3.74Å; V186-L191 HydrophobicContact CG2-CD1 4.15Å; V186-L191 HydrophobicContact CG2-CD2 4.32Å; V186-L191 HydrophobicContact CG2-CG 4.39Å; E188-L191 PolarHBondContact O-N 3.48Å; E188-L191 VanDerWaalsContact O-N 3.16Å; S189-L191 PolarHBondContact O-N 2.61Å; L191-E193 VanDerWaalsContact C-N 3.34Å; L191-L251 HydrophobicContact CB-CD1 4.41Å; L191-L251 HydrophobicContact CB-CD2 4.21Å; L191-L251 HydrophobicContact CB-CG 4.17Å; L191-C252 HydrophobicContact CD1-CB 3.77Å
192C67.8Low78.4Confident51 Ų5183.8 Ų83.835%0.34543%0.434SS..  trans-896.9-176.7-68.50000113.7E188 S189 E194 D195 L251E188-C192 PolarHBondContact O-N 2.69Å; E188-C192 PolarHBondContact O-SG 3.16Å; E188-C192 VanDerWaalsContact O-SG 3.37Å; S189-C192 PolarHBondContact O-N 3.38Å; C192-E194 PolarHBondContact O-N 3.26Å; C192-D195 PolarHBondContact O-N 3.2Å; C192-L251 VanDerWaalsContact SG-CD2 3.57Å
193E56.9Low77.8Confident144 Ų14486 Ų8667%0.67345%0.445SS*.THydrogen-bonded Turntrans-60-8.6-176.5-65.3-168.5165.900114.4L191L191-E193 VanDerWaalsContact C-N 3.34Å
194E53Low77.2Confident154 Ų15489.4 Ų89.472%0.7246%0.463SS*.THydrogen-bonded Turntrans-80.1-17.9173.7-64.7-173167.700114.6C192 D196 Q197 L198C192-E194 PolarHBondContact O-N 3.26Å; E194-D196 VanDerWaalsContact C-N 3.29Å; E194-D196 PolarHBondContact O-N 2.49Å; E194-Q197 PolarHBondContact O-N 3.26Å; E194-L198 PolarHBondContact O-N 3.1Å
195D54.4Low76.4Confident108 Ų10892 Ų9258%0.57847%0.473SS*.Hα-helixtrans-66.6-31.3-177.4-115.6-5.7000111.8C192 Q197 L198 E199C192-D195 PolarHBondContact O-N 3.2Å; D195-Q197 VanDerWaalsContact C-N 3.3Å; D195-Q197 PolarHBondContact O-N 2.85Å; D195-L198 PolarHBondContact O-N 3.08Å; D195-E199 WeakPolarHBondContact O-CB 3.37Å; D195-E199 PolarHBondContact O-N 2.8Å
196D57.8Low76Confident123 Ų12395.2 Ų95.266%0.65848%0.478SS*.Hα-helixtrans-64.4-34.4175.6-73.7-14.6000112E194 H200E194-D196 VanDerWaalsContact C-N 3.29Å; E194-D196 PolarHBondContact O-N 2.49Å; D196-H200 WeakPolarHBondContact O-CB 3.48Å; D196-H200 PolarHBondContact O-N 2.81Å; D196-H200 VanDerWaalsContact O-N 3.1Å
197Q61.5Low75.6Confident147 Ų14798.8 Ų98.869%0.68749%0.493SS*.Hα-helixtrans-75.3-35.2176.8-63.1-174.118.100111.7E194 D195 A201E194-Q197 PolarHBondContact O-N 3.26Å; D195-Q197 VanDerWaalsContact C-N 3.3Å; D195-Q197 PolarHBondContact O-N 2.85Å; Q197-A201 VanDerWaalsContact O-CB 3.25Å; Q197-A201 WeakPolarHBondContact O-CB 3.26Å; Q197-A201 PolarHBondContact O-N 3.42Å
198L65.6Low74.8Confident92 Ų92101.5 Ų101.548%0.48250%0.501SS..Hα-helixtrans-67.9-42.8175.9-173.870.7000111.3E194 D195 A201 Q202E194-L198 PolarHBondContact O-N 3.1Å; D195-L198 PolarHBondContact O-N 3.08Å; L198-A201 PolarHBondContact O-N 2.85Å; L198-Q202 VanDerWaalsContact O-CG 3.29Å; L198-Q202 WeakPolarHBondContact O-CG 3.11Å; L198-Q202 PolarHBondContact O-N 2.96Å
199E73.1Confident74.6Confident133 Ų133102.7 Ų102.762%0.62151%0.506SS*.Hα-helixtrans-66.2-42.6178-157.5172.7-146.700110.8D195 A201 Q202 E203D195-E199 WeakPolarHBondContact O-CB 3.37Å; D195-E199 PolarHBondContact O-N 2.8Å; E199-A201 PolarHBondContact O-N 2.83Å; E199-Q202 PolarHBondContact O-N 2.82Å; E199-E203 PolarHBondContact O-N 2.82Å
200H77.6Confident74.4Confident119 Ų119107.3 Ų107.355%0.55151%0.512SS*.Hα-helixtrans-61.9-41.9172.6-173.358.1000112.8D196 Q202 E203 L204D196-H200 WeakPolarHBondContact O-CB 3.48Å; D196-H200 PolarHBondContact O-N 2.81Å; D196-H200 VanDerWaalsContact O-N 3.1Å; H200-Q202 VanDerWaalsContact C-N 3.35Å; H200-Q202 PolarHBondContact O-N 3.19Å; H200-E203 PolarHBondContact O-N 3.47Å; H200-L204 WeakPolarHBondContact NE2-CD1 3.33Å; H200-L204 WeakPolarHBondContact O-CB 3.45Å; H200-L204 WeakPolarHBondContact O-CG 3.2Å; H200-L204 PolarHBondContact O-N 2.78Å
201A79.5Confident74Confident44 Ų44112.2 Ų112.236%0.36453%0.526SS..Hα-helixtrans-63.8-38.817600000112.2Q197 L198 E199 L204 L205Q197-A201 VanDerWaalsContact O-CB 3.25Å; Q197-A201 WeakPolarHBondContact O-CB 3.26Å; Q197-A201 PolarHBondContact O-N 3.42Å; L198-A201 PolarHBondContact O-N 2.85Å; E199-A201 PolarHBondContact O-N 2.83Å; A201-L204 PolarHBondContact O-N 3.28Å; A201-L205 WeakPolarHBondContact O-CB 3.41Å; A201-L205 PolarHBondContact O-N 2.67Å
202Q77.9Confident74Confident85 Ų85114.1 Ų114.140%0.39753%0.534SS..Hα-helixtrans-68.2-38.5175.1-72.917715.500112.5L198 E199 H200 L205 R206L198-Q202 VanDerWaalsContact O-CG 3.29Å; L198-Q202 WeakPolarHBondContact O-CG 3.11Å; L198-Q202 PolarHBondContact O-N 2.96Å; E199-Q202 PolarHBondContact O-N 2.82Å; H200-Q202 VanDerWaalsContact C-N 3.35Å; H200-Q202 PolarHBondContact O-N 3.19Å; Q202-L205 PolarHBondContact O-N 3.14Å; Q202-R206 WeakPolarHBondContact O-CG 3.41Å; Q202-R206 PolarHBondContact O-N 3.08Å
203E85.5Confident73.3Confident99 Ų99115.1 Ų115.146%0.46355%0.553SS.*Hα-helixtrans-61.8-46.9173.7-167.779.3-132.300110.7E199 H200 L205 R206 E207E199-E203 PolarHBondContact O-N 2.82Å; H200-E203 PolarHBondContact O-N 3.47Å; E203-L205 PolarHBondContact O-N 2.85Å; E203-R206 PolarHBondContact O-N 2.92Å; E203-E207 WeakPolarHBondContact O-CB 3.44Å; E203-E207 PolarHBondContact O-N 3.05Å
204L84.8Confident73.2Confident86 Ų86112.6 Ų112.645%0.4555%0.547SS..Hα-helixtrans-61-41.9176.9-76.1168.7000112.5H200 A201 E207 Y208H200-L204 WeakPolarHBondContact NE2-CD1 3.33Å; H200-L204 WeakPolarHBondContact O-CB 3.45Å; H200-L204 WeakPolarHBondContact O-CG 3.2Å; H200-L204 PolarHBondContact O-N 2.78Å; A201-L204 PolarHBondContact O-N 3.28Å; L204-E207 PolarHBondContact O-N 2.94Å; L204-Y208 WeakPolarHBondContact O-CB 3.2Å; L204-Y208 PolarHBondContact O-N 3.09Å
205L80.9Confident73.1Confident94 Ų94108.9 Ų108.949%0.49254%0.543SS..Hα-helixtrans-60.8-47.1174.4-91.8154.3000111.5A201 Q202 E203 E207 Y208 E209A201-L205 WeakPolarHBondContact O-CB 3.41Å; A201-L205 PolarHBondContact O-N 2.67Å; Q202-L205 PolarHBondContact O-N 3.14Å; E203-L205 PolarHBondContact O-N 2.85Å; L205-E207 VanDerWaalsContact C-N 3.31Å; L205-E207 PolarHBondContact O-N 2.89Å; L205-Y208 PolarHBondContact O-N 3.16Å; L205-E209 VanDerWaalsContact O-CG 3.29Å; L205-E209 WeakPolarHBondContact O-CG 3.27Å; L205-E209 PolarHBondContact O-N 2.83Å
206R86.9Confident72.8Confident136 Ų136108.3 Ų108.351%0.51354%0.543SS..Hα-helixtrans-64.1-36.4177.4-71.9174-173.1159.17.5112.3Q202 E203 R210Q202-R206 WeakPolarHBondContact O-CG 3.41Å; Q202-R206 PolarHBondContact O-N 3.08Å; E203-R206 PolarHBondContact O-N 2.92Å; R206-R210 VanDerWaalsContact O-CB 3.31Å; R206-R210 WeakPolarHBondContact O-CB 3.32Å; R206-R210 PolarHBondContact O-N 2.86Å
207E86.9Confident71.9Confident104 Ų104111.9 Ų111.949%0.48655%0.548SS..Hα-helixtrans-68.2-42.2176.4-169.5176.5-174.500111.5E203 L204 L205 R210 R211E203-E207 WeakPolarHBondContact O-CB 3.44Å; E203-E207 PolarHBondContact O-N 3.05Å; L204-E207 PolarHBondContact O-N 2.94Å; L205-E207 VanDerWaalsContact C-N 3.31Å; L205-E207 PolarHBondContact O-N 2.89Å; E207-R210 PolarHBondContact O-N 2.89Å; E207-R211 WeakPolarHBondContact O-CB 3.32Å; E207-R211 PolarHBondContact O-N 3.15Å
208Y76.9Confident70.8Confident129 Ų129112.4 Ų112.451%0.50655%0.55SS.*Hα-helixtrans-61-47.9174.5-175.3-94.4000111.8L204 L205 R210 R211 E212 V216L204-Y208 WeakPolarHBondContact O-CB 3.2Å; L204-Y208 PolarHBondContact O-N 3.09Å; L205-Y208 PolarHBondContact O-N 3.16Å; Y208-R210 VanDerWaalsContact C-N 3.31Å; Y208-R210 PolarHBondContact O-N 3.34Å; Y208-R211 PolarHBondContact O-N 2.7Å; Y208-R211 VanDerWaalsContact O-N 3.16Å; Y208-E212 HydrophobicContact CD1-CG 4.35Å; Y208-E212 HydrophobicContact CD2-CG 4.13Å; Y208-E212 HydrophobicContact CE1-CB 4.38Å; Y208-E212 HydrophobicContact CE1-CG 3.99Å; Y208-E212 HydrophobicContact CE2-CG 3.77Å; Y208-E212 HydrophobicContact CG-CG 4.41Å; Y208-E212 WeakPolarHBondContact O-CB 3.18Å; Y208-E212 PolarHBondContact O-N 3.01Å; Y208-V216 HydrophobicContact CD1-CG2 4.32Å; Y208-V216 HydrophobicContact CE1-CG2 4.14Å
209E84.9Confident69.2Low76 Ų76114.6 Ų114.636%0.35557%0.568SS.*Hα-helixtrans-59.4-40.3176.7-72.7174161.500112.4L205 R211 G213L205-E209 VanDerWaalsContact O-CG 3.29Å; L205-E209 WeakPolarHBondContact O-CG 3.27Å; L205-E209 PolarHBondContact O-N 2.83Å; E209-R211 VanDerWaalsContact C-N 3.34Å; E209-G213 PolarHBondContact O-N 3.01Å; E209-G213 VanDerWaalsContact O-N 3.09Å
210R83.3Confident67.5Low173 Ų173116.7 Ų116.765%0.65358%0.578SS**Hα-helixtrans-66.8-35.7177.7-167.4-168.6-52.5133.23112.2R206 E207 Y208R206-R210 VanDerWaalsContact O-CB 3.31Å; R206-R210 WeakPolarHBondContact O-CB 3.32Å; R206-R210 PolarHBondContact O-N 2.86Å; E207-R210 PolarHBondContact O-N 2.89Å; Y208-R210 VanDerWaalsContact C-N 3.31Å; Y208-R210 PolarHBondContact O-N 3.34Å
211R79.8Confident65.2Low203 Ų203114.5 Ų114.577%0.76659%0.587SS**Hα-helixtrans-83.1-40-175.7-176.3176.8145.4149.3-2.5112.7E207 Y208 E209E207-R211 WeakPolarHBondContact O-CB 3.32Å; E207-R211 PolarHBondContact O-N 3.15Å; Y208-R211 PolarHBondContact O-N 2.7Å; Y208-R211 VanDerWaalsContact O-N 3.16Å; E209-R211 VanDerWaalsContact C-N 3.34Å
212E78.3Confident63.2Low96 Ų96123 Ų12345%0.44962%0.616SS.*Hα-helixtrans-90.4-6.3-177.6-64.8-70.7130.700112.8Y208 T214Y208-E212 HydrophobicContact CD1-CG 4.35Å; Y208-E212 HydrophobicContact CD2-CG 4.13Å; Y208-E212 HydrophobicContact CE1-CB 4.38Å; Y208-E212 HydrophobicContact CE1-CG 3.99Å; Y208-E212 HydrophobicContact CE2-CG 3.77Å; Y208-E212 HydrophobicContact CG-CG 4.41Å; Y208-E212 WeakPolarHBondContact O-CB 3.18Å; Y208-E212 PolarHBondContact O-N 3.01Å; E212-T214 PolarHBondContact O-N 2.7Å; E212-T214 PolarHBondContact O-OG1 2.94Å
213G53.9Low60.9Low73 Ų73122 Ų12275%0.75363%0.629SS**  trans61.214.3175.300000114.3E209E209-G213 PolarHBondContact O-N 3.01Å; E209-G213 VanDerWaalsContact O-N 3.09Å
214T54.8Low58.7Low90 Ų90121.9 Ų121.955%0.55265%0.654SS**  trans-124.4110.5-175.4-52.50000106.5E212 V216E212-T214 PolarHBondContact O-N 2.7Å; E212-T214 PolarHBondContact O-OG1 2.94Å; T214-V216 PolarHBondContact O-N 2.97Å
215A49.9Very low56.2Low76 Ų76120.7 Ų120.763%0.62866%0.663SS**  trans-58.3124.4162.800000106.2W217A215-W217 PolarHBondContact O-N 2.92Å
216V48.8Very low53.8Low97 Ų97119.6 Ų119.659%0.58867%0.674SS**  trans-70.675.9175.9-177.40000107.1Y208 T214Y208-V216 HydrophobicContact CD1-CG2 4.32Å; Y208-V216 HydrophobicContact CE1-CG2 4.14Å; T214-V216 PolarHBondContact O-N 2.97Å
217W39.5Very low51.4Low198 Ų198117 Ų11775%0.7569%0.689SS**  trans-83.7129.8168-174.6-117.5000107.2A215 T219A215-W217 PolarHBondContact O-N 2.92Å; W217-T219 PolarHBondContact O-N 2.86Å; W217-T219 VanDerWaalsContact O-N 3.11Å
218E37.2Very low49.2Very low157 Ų157120 Ų12073%0.73470%0.703SS**  trans-41.7118.5173.8-64.3175.7146.300109.9E220E218-E220 PolarHBondContact O-N 3.28Å
219T32.4Very low47.4Very low139 Ų139123.1 Ų123.185%0.85372%0.719SS**  trans-68.2120.7175-62.10000108.2W217 G221W217-T219 PolarHBondContact O-N 2.86Å; W217-T219 VanDerWaalsContact O-N 3.11Å; T219-G221 PolarHBondContact O-N 3.48Å
220E37Very low45.3Very low177 Ų177129.1 Ų129.183%0.82774%0.74SS**  trans-47.8100.4175.1-64.4-177.8132.100112.2E218 K222E218-E220 PolarHBondContact O-N 3.28Å; E220-K222 PolarHBondContact O-N 3.4Å
221G30.5Very low43.1Very low73 Ų73128.8 Ų128.875%0.75375%0.746SS**  trans-77.4100.4153.500000108.7T219 G223T219-G221 PolarHBondContact O-N 3.48Å; G221-G223 VanDerWaalsContact C-N 3.29Å; G221-G223 PolarHBondContact O-N 2.89Å
222K36.8Very low41.2Very low221 Ų221128.4 Ų128.496%0.96175%0.75SS**  trans-57.392.5163.5-97.4-179.8173.2173.80109.8E220E220-K222 PolarHBondContact O-N 3.4Å
223G30.8Very low39.1Very low65 Ų65127.7 Ų127.767%0.6776%0.76SS**  trans-141.5109164.900000107.4G221 G225G221-G223 VanDerWaalsContact C-N 3.29Å; G221-G223 PolarHBondContact O-N 2.89Å; G223-G225 PolarHBondContact O-N 2.72Å
224G37.9Very low38.4Very low96 Ų96127 Ų12799%0.9975%0.753SS**  trans-59.2108.9-179.900000111.3
225G31.7Very low37.8Very low62 Ų62125.3 Ų125.364%0.63975%0.749SS**  trans-124.2108.8162.400000106G223G223-G225 PolarHBondContact O-N 2.72Å
226G30.8Very low37.9Very low70 Ų70132.2 Ų132.272%0.72276%0.758SS**  trans-51.9147.2-179.600000110.4E228G226-E228 VanDerWaalsContact C-N 3.3Å; G226-E228 PolarHBondContact O-N 2.83Å
227G38.2Very low38Very low81 Ų81132 Ų13284%0.83575%0.751SS**  trans-42.996.9179.200000111.1K229G227-K229 PolarHBondContact O-N 3.33Å
228E40.1Very low38.8Very low168 Ų168124.2 Ų124.279%0.78573%0.732SS**  trans-69.980.4155.249.7-164.3135.600104.1G226 Y230G226-E228 VanDerWaalsContact C-N 3.3Å; G226-E228 PolarHBondContact O-N 2.83Å; E228-Y230 PolarHBondContact O-N 2.86Å
229K38.8Very low40.3Very low194 Ų194122 Ų12284%0.84373%0.726SS**  trans-49.288.5143-169.1-177.2-168.7-176.90103G227 E231G227-K229 PolarHBondContact O-N 3.33Å; K229-E231 VanDerWaalsContact C-N 3.28Å; K229-E231 PolarHBondContact O-N 2.84Å
230Y40.5Very low42.5Very low202 Ų202119 Ų11979%0.79272%0.715SS**  trans-45112.7164.8-146.1-94.1000101.4E228 K232E228-Y230 PolarHBondContact O-N 2.86Å; Y230-K232 PolarHBondContact O-N 3.43Å
231E37.8Very low44.8Very low166 Ų166111.8 Ų111.878%0.77668%0.683SS**  trans-54.7106.1160-77.9-170.1155.400100.7K229 A233K229-E231 VanDerWaalsContact C-N 3.28Å; K229-E231 PolarHBondContact O-N 2.84Å; E231-A233 PolarHBondContact O-N 2.83Å
232K40.6Very low47.4Very low195 Ų195111.6 Ų111.685%0.84866%0.661SS**  trans-49.291.7143.7-100.7-177.6173.5177.70100.8Y230 G234Y230-K232 PolarHBondContact O-N 3.43Å; K232-G234 PolarHBondContact O-N 3.48Å
233A33.8Very low49.6Very low81 Ų81107.9 Ų107.967%0.66965%0.645SS**  trans-49.6105.2164.700000100.2E231 A235E231-A233 PolarHBondContact O-N 2.83Å; A233-A235 VanDerWaalsContact C-N 3.28Å; A233-A235 PolarHBondContact O-N 2.96Å
234G39.4Very low52.2Low59 Ų59111.3 Ų111.361%0.60864%0.638SS**  trans-55.7109-176.500000102.9K232 R236K232-G234 PolarHBondContact O-N 3.48Å; G234-R236 WeakPolarHBondContact O-CG 3.5Å; G234-R236 PolarHBondContact O-N 2.89Å
235A41.9Very low54.7Low55 Ų55107.2 Ų107.246%0.45559%0.593SS.*  trans-59.2112.8-174.500000104A233 H237 D239A233-A235 VanDerWaalsContact C-N 3.28Å; A233-A235 PolarHBondContact O-N 2.96Å; A235-H237 PolarHBondContact O-N 2.62Å; A235-D239 WeakPolarHBondContact CB-OD1 3.43Å
236R51.4Low57.3Low220 Ų220107.6 Ų107.683%0.8358%0.579SS**SBendtrans-70.914.1-167.1-68.1-17891.2-161.76111.9G234G234-R236 WeakPolarHBondContact O-CG 3.5Å; G234-R236 PolarHBondContact O-N 2.89Å
237H50.8Low59.8Low92 Ų92111.2 Ų111.243%0.42658%0.575SS.*SBendtrans-167.9108-176.524.673.1000111.1A235A235-H237 PolarHBondContact O-N 2.62Å
238G56Low62.1Low35 Ų35108.4 Ų108.436%0.36154%0.544SS..  trans6746147.500000119A240 V241 F242G238-A240 PolarHBondContact O-N 3.05Å; G238-V241 PolarHBondContact O-N 3.32Å; G238-F242 PolarHBondContact O-N 2.77Å
239D69.1Low64.5Low111 Ų111101.5 Ų101.559%0.59451%0.513SS*.Hα-helixtrans-35.4-50.6-165.8-53.8-1000117.8A235 F243A235-D239 WeakPolarHBondContact CB-OD1 3.43Å; D239-F243 WeakPolarHBondContact O-CB 3.45Å; D239-F243 PolarHBondContact O-N 3.38Å
240A79.4Confident66.8Low77 Ų7798 Ų9864%0.63650%0.503SS*.Hα-helixtrans-86-32-171.500000114.6G238 R244G238-A240 PolarHBondContact O-N 3.05Å; A240-R244 WeakPolarHBondContact O-CB 3.42Å; A240-R244 PolarHBondContact O-N 2.6Å; A240-R244 VanDerWaalsContact O-N 3.17Å
241V85.4Confident69Low24 Ų2491.8 Ų91.815%0.14548%0.483CS..Hα-helixtrans-76.1-48.4-176.3177.70000109.6G238 F243 R244 F245 F267 K270G238-V241 PolarHBondContact O-N 3.32Å; V241-F243 VanDerWaalsContact C-N 3.35Å; V241-F243 PolarHBondContact O-N 3.45Å; V241-R244 PolarHBondContact O-N 3.37Å; V241-F245 PolarHBondContact O-N 3.04Å; V241-F267 HydrophobicContact CG1-CB 4.05Å; V241-F267 WeakPolarHBondContact CG1-O 3.2Å; V241-K270 HydrophobicContact CG2-CG 4.15Å
242F84.6Confident71.5Confident69 Ų6984.5 Ų84.530%0.30345%0.451SS..Hα-helixtrans-64.1-40176.8-175.6-105.5000111.7G238 R244 F245 M246 I268G238-F242 PolarHBondContact O-N 2.77Å; F242-R244 VanDerWaalsContact C-N 3.32Å; F242-R244 PolarHBondContact O-N 2.98Å; F242-F245 HydrophobicContact CE2-CD1 4.48Å; F242-F245 WeakPolarHBondContact O-CB 3.44Å; F242-F245 PolarHBondContact O-N 2.8Å; F242-F245 VanDerWaalsContact O-N 3.16Å; F242-M246 HydrophobicContact CD1-CG 4.03Å; F242-M246 HydrophobicContact CE1-CG 3.57Å; F242-M246 HydrophobicContact CE1-SD 4.23Å; F242-M246 HydrophobicContact CE2-CG 4.28Å; F242-M246 HydrophobicContact CE2-SD 4.35Å; F242-M246 HydrophobicContact CZ-CG 3.72Å; F242-M246 HydrophobicContact CZ-SD 3.81Å; F242-M246 WeakPolarHBondContact O-CG 3.27Å; F242-M246 PolarHBondContact O-N 2.91Å; F242-I268 WeakPolarHBondContact CA-O 3.49Å; F242-I268 HydrophobicContact CD2-CG2 3.95Å; F242-I268 HydrophobicContact CE2-CG2 4.21Å
243F82.8Confident74Confident143 Ų14379.2 Ų79.263%0.62744%0.436SS*.Hα-helixtrans-60.1-41.3174179.8-94.6000112.4D239 V241 F245 M246 K247D239-F243 WeakPolarHBondContact O-CB 3.45Å; D239-F243 PolarHBondContact O-N 3.38Å; V241-F243 VanDerWaalsContact C-N 3.35Å; V241-F243 PolarHBondContact O-N 3.45Å; F243-F245 VanDerWaalsContact C-N 3.35Å; F243-M246 PolarHBondContact O-N 2.77Å; F243-K247 WeakPolarHBondContact O-CB 3.37Å; F243-K247 PolarHBondContact O-N 3.13Å
244R86Confident76.8Confident137 Ų13782.6 Ų82.652%0.51744%0.438SS..Hα-helixtrans-65.4-39.5174.8-177.7176.460.8-139.9-3.9111.8A240 V241 F242 A248 L266A240-R244 WeakPolarHBondContact O-CB 3.42Å; A240-R244 PolarHBondContact O-N 2.6Å; A240-R244 VanDerWaalsContact O-N 3.17Å; V241-R244 PolarHBondContact O-N 3.37Å; F242-R244 VanDerWaalsContact C-N 3.32Å; F242-R244 PolarHBondContact O-N 2.98Å; R244-A248 PolarHBondContact O-N 3.07Å; R244-A248 VanDerWaalsContact O-N 3.12Å; R244-L266 HydrophobicContact CG-CD1 4.39Å
245F88.9Confident79.4Confident10 Ų1079.9 Ų79.94%0.04441%0.41CS..Hα-helixtrans-57.5-54.6172.4177.7-88.4000110.6V241 F242 F243 K247 A248 V249 L266 I268 M296 P297V241-F245 PolarHBondContact O-N 3.04Å; F242-F245 HydrophobicContact CE2-CD1 4.48Å; F242-F245 WeakPolarHBondContact O-CB 3.44Å; F242-F245 PolarHBondContact O-N 2.8Å; F242-F245 VanDerWaalsContact O-N 3.16Å; F243-F245 VanDerWaalsContact C-N 3.35Å; F245-K247 PolarHBondContact O-N 3.38Å; F245-A248 PolarHBondContact O-N 2.93Å; F245-A248 VanDerWaalsContact O-N 3.17Å; F245-V249 HydrophobicContact CD1-CG2 4.07Å; F245-V249 HydrophobicContact CE1-CG2 3.66Å; F245-V249 HydrophobicContact CE2-CG2 4.2Å; F245-V249 HydrophobicContact CZ-CG2 3.72Å; F245-V249 WeakPolarHBondContact O-CG2 3.32Å; F245-V249 PolarHBondContact O-N 3.1Å; F245-L266 HydrophobicContact CB-CG 4.34Å; F245-L266 HydrophobicContact CD2-CD2 3.58Å; F245-L266 HydrophobicContact CD2-CG 3.69Å; F245-L266 HydrophobicContact CE2-CD2 3.99Å; F245-L266 HydrophobicContact CE2-CG 4.42Å; F245-L266 HydrophobicContact CG-CD2 4.21Å; F245-L266 HydrophobicContact CG-CG 4.38Å; F245-I268 HydrophobicContact CD1-CG1 4.31Å; F245-I268 HydrophobicContact CD2-CB 4.46Å; F245-I268 HydrophobicContact CD2-CG1 3.62Å; F245-I268 HydrophobicContact CE1-CG1 4.13Å; F245-I268 HydrophobicContact CE2-CD1 4.17Å; F245-I268 HydrophobicContact CE2-CG1 3.44Å; F245-I268 VanDerWaalsContact CE2-CG1 3.44Å; F245-I268 HydrophobicContact CG-CG1 4.09Å; F245-I268 HydrophobicContact CZ-CD1 4.1Å; F245-I268 HydrophobicContact CZ-CG1 3.72Å; F245-M296 HydrophobicContact CE2-CE 3.82Å; F245-M296 HydrophobicContact CZ-CE 3.84Å; F245-P297 HydrophobicContact CE1-CG 4.42Å; F245-P297 HydrophobicContact CZ-CG 3.84Å
246M86.3Confident82.1Confident70 Ų7077.5 Ų77.535%0.34539%0.389SS..Hα-helixtrans-57.7-46.2178.6-74.1-54.8-51.900112.1F242 F243 A248 V249 L250F242-M246 HydrophobicContact CD1-CG 4.03Å; F242-M246 HydrophobicContact CE1-CG 3.57Å; F242-M246 HydrophobicContact CE1-SD 4.23Å; F242-M246 HydrophobicContact CE2-CG 4.28Å; F242-M246 HydrophobicContact CE2-SD 4.35Å; F242-M246 HydrophobicContact CZ-CG 3.72Å; F242-M246 HydrophobicContact CZ-SD 3.81Å; F242-M246 WeakPolarHBondContact O-CG 3.27Å; F242-M246 PolarHBondContact O-N 2.91Å; F243-M246 PolarHBondContact O-N 2.77Å; M246-A248 VanDerWaalsContact C-N 3.29Å; M246-A248 PolarHBondContact O-N 3.04Å; M246-V249 PolarHBondContact O-N 2.94Å; M246-V249 VanDerWaalsContact O-N 3.1Å; M246-L250 VanDerWaalsContact O-CG 3.25Å; M246-L250 WeakPolarHBondContact O-CG 3.45Å; M246-L250 PolarHBondContact O-N 3.25Å
247K84.9Confident84.2Confident147 Ų14767.5 Ų67.564%0.63935%0.352SS*.Hα-helixtrans-57.1-42.6178.2-172.8179.7178.4-176.30112.1F243 F245F243-K247 WeakPolarHBondContact O-CB 3.37Å; F243-K247 PolarHBondContact O-N 3.13Å; F245-K247 PolarHBondContact O-N 3.38Å
248A86.5Confident86.4Confident22 Ų2264.2 Ų64.218%0.18234%0.336CS..Hα-helixtrans-70.8-35.5177.200000112.4R244 F245 M246 L266R244-A248 PolarHBondContact O-N 3.07Å; R244-A248 VanDerWaalsContact O-N 3.12Å; F245-A248 PolarHBondContact O-N 2.93Å; F245-A248 VanDerWaalsContact O-N 3.17Å; M246-A248 VanDerWaalsContact C-N 3.29Å; M246-A248 PolarHBondContact O-N 3.04Å; A248-L266 HydrophobicContact CB-CD1 3.86Å; A248-L266 HydrophobicContact CB-CD2 3.64Å; A248-L266 HydrophobicContact CB-CG 4.4Å
249V88.7Confident88.3Confident22 Ų2264.1 Ų64.113%0.13333%0.325CS..Hα-helixtrans-71.6-31.7177.7174.40000112.4F245 M246 L251 C252 P253 L266 M296F245-V249 HydrophobicContact CD1-CG2 4.07Å; F245-V249 HydrophobicContact CE1-CG2 3.66Å; F245-V249 HydrophobicContact CE2-CG2 4.2Å; F245-V249 HydrophobicContact CZ-CG2 3.72Å; F245-V249 WeakPolarHBondContact O-CG2 3.32Å; F245-V249 PolarHBondContact O-N 3.1Å; M246-V249 PolarHBondContact O-N 2.94Å; M246-V249 VanDerWaalsContact O-N 3.1Å; V249-L251 PolarHBondContact O-N 3.5Å; V249-C252 CarbonylContact O-C 3.58Å; V249-C252 PolarHBondContact O-N 2.84Å; V249-P253 WeakPolarHBondContact O-CA 3.42Å; V249-P253 VanDerWaalsContact O-N 3.12Å; V249-L266 HydrophobicContact CG2-CD2 4.39Å; V249-M296 HydrophobicContact CG2-CE 3.49Å; V249-M296 VanDerWaalsContact CG2-CE 3.49Å
250L88.3Confident89.4Confident120 Ų12059.3 Ų59.363%0.62830%0.299SS*.Hα-helixtrans-59.2-30.2-178-80.5172.8000113.8M246 C252M246-L250 VanDerWaalsContact O-CG 3.25Å; M246-L250 WeakPolarHBondContact O-CG 3.45Å; M246-L250 PolarHBondContact O-N 3.25Å; L250-C252 VanDerWaalsContact C-N 3.26Å; L250-C252 PolarHBondContact O-N 2.86Å
251L86.8Confident90Very high72 Ų7257.7 Ų57.738%0.37728%0.277SS..THydrogen-bonded Turntrans-61.4-38.1175.8-176.867.8000111.6E188 L191 C192 V249E188-L251 HydrophobicContact CG-CD2 3.67Å; L191-L251 HydrophobicContact CB-CD1 4.41Å; L191-L251 HydrophobicContact CB-CD2 4.21Å; L191-L251 HydrophobicContact CB-CG 4.17Å; C192-L251 VanDerWaalsContact SG-CD2 3.57Å; V249-L251 PolarHBondContact O-N 3.5Å
252C90.8Very high90.1Very high14 Ų1460.4 Ų60.410%0.09529%0.288CS..  trans-148.186.8178.6-168.40000110.5L10 L191 V249 L250 Q254 Q255L10-C252 VanDerWaalsContact CD2-SG 3.52Å; L191-C252 HydrophobicContact CD1-CB 3.77Å; V249-C252 CarbonylContact O-C 3.58Å; V249-C252 PolarHBondContact O-N 2.84Å; L250-C252 VanDerWaalsContact C-N 3.26Å; L250-C252 PolarHBondContact O-N 2.86Å; C252-Q254 PolarHBondContact O-N 3.1Å; C252-Q255 WeakPolarHBondContact O-CB 3.01Å; C252-Q255 WeakPolarHBondContact O-CG 3.45Å; C252-Q255 PolarHBondContact O-N 3.3Å; C252-Q255 PolarHBondContact O-NE2 3.31Å
253P91.9Very high90.2Very high83 Ų8358.5 Ų58.554%0.53928%0.283SS..THydrogen-bonded Turntrans-65.6-22.5-176-25.235.9000114V249 Q255V249-P253 WeakPolarHBondContact O-CA 3.42Å; V249-P253 VanDerWaalsContact O-N 3.12Å; P253-Q255 VanDerWaalsContact C-N 3.27Å; P253-Q255 PolarHBondContact O-N 3.49Å
254Q92.3Very high90.5Very high153 Ų15360.9 Ų60.972%0.71529%0.293SS*.THydrogen-bonded Turntrans-82.2-1.3179.4-64.8-175.2-21.300113.5L10 C252 I256L10-Q254 HydrophobicContact CD2-CB 4.38Å; C252-Q254 PolarHBondContact O-N 3.1Å; Q254-I256 PolarHBondContact O-N 3Å
255Q95.3Very high90.8Very high2 Ų255.3 Ų55.31%0.00928%0.275CS..  trans-58.5122.3177.567.7-172.4-77.900111.1I8 L10 C252 P253 M296 A298I8-Q255 HydrophobicContact CG2-CB 3.54Å; L10-Q255 HydrophobicContact CD2-CB 4.49Å; C252-Q255 WeakPolarHBondContact O-CB 3.01Å; C252-Q255 WeakPolarHBondContact O-CG 3.45Å; C252-Q255 PolarHBondContact O-N 3.3Å; C252-Q255 PolarHBondContact O-NE2 3.31Å; P253-Q255 VanDerWaalsContact C-N 3.27Å; P253-Q255 PolarHBondContact O-N 3.49Å; Q255-M296 HydrophobicContact CG-CB 4.33Å; Q255-M296 HydrophobicContact CG-CE 4.12Å; Q255-M296 HydrophobicContact CG-CG 4.01Å; Q255-M296 WeakPolarHBondContact O-CB 3.31Å; Q255-A298 WeakPolarHBondContact O-CB 3.26Å
256I97.4Very high90.9Very high5 Ų555.5 Ų55.53%0.02628%0.276CS..  trans-99.7-19.4177.255.8166.8000111.6G9 C11 V29 I183 Q254 M296 A298 L299 L302G9-I256 WeakPolarHBondContact O-CG1 3.45Å; G9-I256 PolarHBondContact O-N 3.22Å; C11-I256 HydrophobicContact CB-CD1 4.47Å; V29-I256 HydrophobicContact CG2-CD1 3.65Å; I183-I256 HydrophobicContact CD1-CD1 4.41Å; I183-I256 HydrophobicContact CG1-CD1 4Å; I183-I256 HydrophobicContact CG2-CD1 4.49Å; Q254-I256 PolarHBondContact O-N 3Å; I256-M296 PolarHBondContact O-N 2.86Å; I256-A298 HydrophobicContact CG2-CB 4.26Å; I256-L299 HydrophobicContact CB-CB 4.02Å; I256-L299 HydrophobicContact CB-CD1 4.19Å; I256-L299 HydrophobicContact CD1-CD1 4.4Å; I256-L299 HydrophobicContact CG2-CB 4.27Å; I256-L302 HydrophobicContact CD1-CD1 4.18Å; I256-L302 HydrophobicContact CG2-CD1 3.85Å
257L96.8Very high91.1Very high9 Ų953.3 Ų53.35%0.04727%0.265CS..EExtended strand (participates in β ladder)trans-150144.1-175.8-173.6145.6000110.8G9 V57 V59 L293 Q294 L295G9-L257 PolarHBondContact N-O 3.09Å; G9-L257 PolarHBondContact O-N 2.89Å; V57-L257 HydrophobicContact CG2-CD1 4.49Å; V59-L257 HydrophobicContact CG2-CD1 3.62Å; L257-L293 HydrophobicContact CD1-CD1 3.89Å; L257-L293 HydrophobicContact CD1-CD2 4.22Å; L257-L293 HydrophobicContact CD1-CG 4.09Å; L257-L293 HydrophobicContact CD2-CD1 4.47Å; L257-L293 HydrophobicContact CD2-CG 4.4Å; L257-L293 HydrophobicContact CG-CD1 4.46Å; L257-L293 HydrophobicContact CG-CG 4.23Å; L257-Q294 CarbonylContact C-O 3.01Å; L257-Q294 WeakPolarHBondContact CA-O 3.26Å; L257-L295 HydrophobicContact CD1-CD2 3.81Å; L257-L295 HydrophobicContact CG-CD2 4.32Å
258R96.3Very high91.2Very high24 Ų2446.7 Ų46.79%0.09124%0.236CC..EExtended strand (participates in β ladder)trans-124.3128168.9-66.2-179.497.6-149.38.8108.8L6 L7 E188 L293 Q294 M296L6-R258 HydrophobicContact CD1-CB 4.06Å; L6-R258 VanDerWaalsContact CD2-CZ 3.49Å; L7-R258 CarbonylContact O-C 3.6Å; L7-R258 WeakPolarHBondContact O-CA 3.31Å; E188-R258 IonicContact OE1-CZ 3.13Å; E188-R258 IonicContact OE1-NH2 2.89Å; E188-R258 PolarHBondContact OE1-NH2 3.01Å; R258-L293 WeakPolarHBondContact O-CA 3.38Å; R258-Q294 HydrophobicContact CB-CB 4.29Å; R258-Q294 PolarHBondContact N-O 3.25Å; R258-Q294 PolarHBondContact O-N 3.03Å; R258-M296 HydrophobicContact CG-CG 4.06Å; R258-M296 HydrophobicContact CG-SD 3.97Å
259Y96.4Very high91.1Very high33 Ų3348.4 Ų48.413%0.12925%0.246CC..EExtended strand (participates in β ladder)trans-120116.1179.2-176.3-86.8000110L7 C61 E292 L293L7-Y259 HydrophobicContact CD1-CD1 4.15Å; L7-Y259 PolarHBondContact N-O 2.83Å; L7-Y259 PolarHBondContact O-N 2.97Å; C61-Y259 HydrophobicContact CB-CD2 4.43Å; C61-Y259 HydrophobicContact CB-CE2 3.57Å; Y259-E292 HydrophobicContact CD2-CG 4.31Å; Y259-E292 HydrophobicContact CE2-CG 3.55Å; Y259-E292 VanDerWaalsContact CE2-OE1 3.26Å; Y259-E292 WeakPolarHBondContact CE2-OE1 3.34Å; Y259-E292 PolarHBondContact OH-OE1 3.14Å; Y259-L293 HydrophobicContact CD2-CB 4.2Å; Y259-L293 HydrophobicContact CD2-CD1 4.22Å
260C92.8Very high90.8Very high9 Ų955.2 Ų55.26%0.06127%0.274CS..  trans-158.7101.8174.6-169.40000110.8L6 S263 E292L6-C260 HydrophobicContact CB-CB 4.37Å; L6-C260 HydrophobicContact CD1-CB 3.68Å; C260-S263 WeakPolarHBondContact CB-OG 3.47Å; C260-S263 PolarHBondContact O-OG 2.81Å; C260-S263 WeakPolarHBondContact SG-CB 3.47Å; C260-E292 CarbonylContact C-O 3.45Å; C260-E292 PolarHBondContact N-O 3.47Å
261R91.4Very high90.3Very high43 Ų4351.3 Ų51.316%0.16226%0.259CS..THydrogen-bonded Turntrans-74.7134.4-177.4-159.8175.8174.4-115.5-7.4112S263 T290 E292 C324 T325R261-S263 VanDerWaalsContact C-N 3.31Å; R261-T290 HydrophobicContact CG-CG2 4.34Å; R261-E292 HydrophobicContact CB-CG 4.05Å; R261-E292 HydrophobicContact CG-CB 4.19Å; R261-E292 HydrophobicContact CG-CG 3.91Å; R261-E292 IonicContact NE-OE2 3.93Å; R261-C324 PolarHBondContact NH2-O 2.95Å; R261-T325 VanDerWaalsContact NH2-C 3.3Å; R261-T325 PolarHBondContact NH2-O 2.86Å
262H87.9Confident89.8Confident81 Ų8149.7 Ų49.738%0.37525%0.253SS..THydrogen-bonded Turntrans68.624.1-175.8-44.996.8000115.1Q4 T290 F291Q4-H262 PolarHBondContact NE2-O 3.07Å; Q4-H262 VanDerWaalsContact NE2-O 3.12Å; H262-T290 WeakPolarHBondContact CA-OG1 3.17Å; H262-F291 PolarHBondContact N-O 2.94Å
263S86.5Confident89Confident29 Ų2955.2 Ų55.220%0.20329%0.292CS..SBendtrans-105.1-178.8174.973.80000111.8C260 R261 F291C260-S263 WeakPolarHBondContact CB-OG 3.47Å; C260-S263 PolarHBondContact O-OG 2.81Å; C260-S263 WeakPolarHBondContact SG-CB 3.47Å; R261-S263 VanDerWaalsContact C-N 3.31Å; S263-F291 WeakPolarHBondContact O-CD1 3.08Å; S263-F291 VanDerWaalsContact OG-CD1 3.3Å; S263-F291 WeakPolarHBondContact OG-CD1 3.46Å; S263-F291 WeakPolarHBondContact OG-CE1 3.16Å
264K88.2Confident88Confident194 Ų19457.8 Ų57.884%0.84329%0.294SS*.  trans-94.3131174.5-68.2176.5-177.4171.10109.4
265P92Very high87.1Confident20 Ų2051.5 Ų51.513%0.1327%0.265CS..  trans-65.7154.9175.327.5-35.7000112.2F267 F291 L320P265-F267 HydrophobicContact CB-CE2 4.41Å; P265-F267 HydrophobicContact CB-CZ 4.39Å; P265-F267 HydrophobicContact CG-CD2 4.27Å; P265-F267 HydrophobicContact CG-CE1 4.2Å; P265-F267 HydrophobicContact CG-CE2 3.51Å; P265-F267 HydrophobicContact CG-CZ 3.47Å; P265-F267 VanDerWaalsContact CG-CZ 3.47Å; P265-F267 PolarHBondContact O-N 2.87Å; P265-F291 HydrophobicContact CB-CD1 4.41Å; P265-F291 HydrophobicContact CB-CD2 3.7Å; P265-F291 HydrophobicContact CB-CE1 4.4Å; P265-F291 HydrophobicContact CB-CE2 3.68Å; P265-F291 HydrophobicContact CB-CG 4.07Å; P265-F291 HydrophobicContact CB-CZ 4.05Å; P265-F291 HydrophobicContact CG-CD2 4.26Å; P265-F291 HydrophobicContact CG-CG 4.36Å; P265-L320 HydrophobicContact CB-CD1 3.72Å; P265-L320 HydrophobicContact CB-CD2 3.71Å; P265-L320 HydrophobicContact CB-CG 4.26Å; P265-L320 HydrophobicContact CG-CD1 4.09Å
266L91Very high85.8Confident13 Ų1356.9 Ų56.97%0.06830%0.303CS..  trans-94.495.6174.9-173.176.1000110.2R244 F245 A248 V249 Q294 M296R244-L266 HydrophobicContact CG-CD1 4.39Å; F245-L266 HydrophobicContact CB-CG 4.34Å; F245-L266 HydrophobicContact CD2-CD2 3.58Å; F245-L266 HydrophobicContact CD2-CG 3.69Å; F245-L266 HydrophobicContact CE2-CD2 3.99Å; F245-L266 HydrophobicContact CE2-CG 4.42Å; F245-L266 HydrophobicContact CG-CD2 4.21Å; F245-L266 HydrophobicContact CG-CG 4.38Å; A248-L266 HydrophobicContact CB-CD1 3.86Å; A248-L266 HydrophobicContact CB-CD2 3.64Å; A248-L266 HydrophobicContact CB-CG 4.4Å; V249-L266 HydrophobicContact CG2-CD2 4.39Å; L266-Q294 PolarHBondContact O-NE2 3.39Å; L266-M296 HydrophobicContact CD2-CE 4.4Å
267F90.2Very high84.6Confident25 Ų2563.5 Ų63.511%0.1133%0.334CS..  trans-75.7141.3179.6-61.8-81.7000113V241 P265 C269 A271 M275 L320 F342V241-F267 HydrophobicContact CG1-CB 4.05Å; V241-F267 WeakPolarHBondContact CG1-O 3.2Å; P265-F267 HydrophobicContact CB-CE2 4.41Å; P265-F267 HydrophobicContact CB-CZ 4.39Å; P265-F267 HydrophobicContact CG-CD2 4.27Å; P265-F267 HydrophobicContact CG-CE1 4.2Å; P265-F267 HydrophobicContact CG-CE2 3.51Å; P265-F267 HydrophobicContact CG-CZ 3.47Å; P265-F267 VanDerWaalsContact CG-CZ 3.47Å; P265-F267 PolarHBondContact O-N 2.87Å; F267-C269 VanDerWaalsContact CB-O 3.31Å; F267-C269 WeakPolarHBondContact CB-O 3.43Å; F267-A271 HydrophobicContact CD1-CB 4.03Å; F267-A271 HydrophobicContact CD2-CB 3.95Å; F267-A271 HydrophobicContact CE1-CB 3.79Å; F267-A271 HydrophobicContact CE2-CB 3.69Å; F267-A271 HydrophobicContact CG-CB 4.09Å; F267-A271 HydrophobicContact CZ-CB 3.61Å; F267-M275 HydrophobicContact CE1-CE 3.67Å; F267-M275 HydrophobicContact CE1-SD 4.22Å; F267-M275 HydrophobicContact CZ-CE 3.96Å; F267-M275 HydrophobicContact CZ-CG 4.45Å; F267-M275 HydrophobicContact CZ-SD 4.34Å; F267-L320 HydrophobicContact CD1-CD1 3.76Å; F267-L320 HydrophobicContact CE1-CD1 3.39Å; F267-L320 HydrophobicContact CZ-CD1 4.13Å; F267-F342 HydrophobicContact CE1-CE1 4.49Å
268I87.5Confident83.9Confident7 Ų767.4 Ų67.44%0.03635%0.352CS..SBendtrans-75.4-49170.7-63.8174.8000110F242 F245 P297 G317 T318 P347F242-I268 WeakPolarHBondContact CA-O 3.49Å; F242-I268 HydrophobicContact CD2-CG2 3.95Å; F242-I268 HydrophobicContact CE2-CG2 4.21Å; F245-I268 HydrophobicContact CD1-CG1 4.31Å; F245-I268 HydrophobicContact CD2-CB 4.46Å; F245-I268 HydrophobicContact CD2-CG1 3.62Å; F245-I268 HydrophobicContact CE1-CG1 4.13Å; F245-I268 HydrophobicContact CE2-CD1 4.17Å; F245-I268 HydrophobicContact CE2-CG1 3.44Å; F245-I268 VanDerWaalsContact CE2-CG1 3.44Å; F245-I268 HydrophobicContact CG-CG1 4.09Å; F245-I268 HydrophobicContact CZ-CD1 4.1Å; F245-I268 HydrophobicContact CZ-CG1 3.72Å; I268-P297 HydrophobicContact CD1-CG 4.39Å; I268-G317 WeakPolarHBondContact CD1-O 3.42Å; I268-T318 HydrophobicContact CD1-CG2 3.75Å; I268-T318 HydrophobicContact CG1-CG2 3.88Å; I268-P347 HydrophobicContact CG2-CG 3.93Å
269C85Confident83.6Confident59 Ų5967.3 Ų67.340%0.39935%0.354SS..SBendtrans-118.4166.9179.258.40000111.2F267 A271 Q344F267-C269 VanDerWaalsContact CB-O 3.31Å; F267-C269 WeakPolarHBondContact CB-O 3.43Å; C269-A271 PolarHBondContact O-N 2.87Å; C269-A271 VanDerWaalsContact O-N 3.11Å; C269-Q344 PolarHBondContact O-NE2 3.19Å; C269-Q344 VanDerWaalsContact SG-CD 3.53Å; C269-Q344 PolarHBondContact SG-NE2 3.47Å
270K81.2Confident83.4Confident165 Ų16568.8 Ų68.872%0.71737%0.368SS*.PPolyproline II helixtrans-51123.9-177.1-75.2-178.5-178.9175.20110.1V241V241-K270 HydrophobicContact CG2-CG 4.15Å
271A77.8Confident83.5Confident37 Ų3770.8 Ų70.831%0.30639%0.385SS..PPolyproline II helixtrans-57.7144.2173.600000109.8F267 C269 S273F267-A271 HydrophobicContact CD1-CB 4.03Å; F267-A271 HydrophobicContact CD2-CB 3.95Å; F267-A271 HydrophobicContact CE1-CB 3.79Å; F267-A271 HydrophobicContact CE2-CB 3.69Å; F267-A271 HydrophobicContact CG-CB 4.09Å; F267-A271 HydrophobicContact CZ-CB 3.61Å; C269-A271 PolarHBondContact O-N 2.87Å; C269-A271 VanDerWaalsContact O-N 3.11Å; A271-S273 PolarHBondContact O-N 3Å
272P77.2Confident83.6Confident39 Ų3968.9 Ų68.925%0.25338%0.378SS..PPolyproline II helixtrans-50.7134169-21.529.3000109.8K274 M275 E278 F342P272-K274 PolarHBondContact O-N 2.87Å; P272-M275 HydrophobicContact CG-SD 3.96Å; P272-M275 PolarHBondContact O-N 3.03Å; P272-M275 VanDerWaalsContact O-N 3.11Å; P272-E278 VanDerWaalsContact CB-OE1 3.29Å; P272-E278 WeakPolarHBondContact CB-OE1 3.5Å; P272-F342 HydrophobicContact CG-CE2 3.87Å; P272-F342 HydrophobicContact CG-CZ 3.65Å
273S74.4Confident83.6Confident130 Ų13068.7 Ų68.791%0.90940%0.398SS*.THydrogen-bonded Turntrans-59.1-11.7-177-49.60000113.7A271A271-S273 PolarHBondContact O-N 3Å
274K71.4Confident83.7Confident136 Ų13670.6 Ų70.659%0.59141%0.411SS*.THydrogen-bonded Turntrans-127.735.1-177.6-68.7173.2164.9-170.30112.4P272 S276 Q277 E278P272-K274 PolarHBondContact O-N 2.87Å; K274-S276 PolarHBondContact O-N 2.84Å; K274-S276 VanDerWaalsContact O-N 3.16Å; K274-Q277 HydrophobicContact CB-CB 4.25Å; K274-Q277 HydrophobicContact CB-CG 4.41Å; K274-Q277 VanDerWaalsContact CG-OE1 3.26Å; K274-Q277 WeakPolarHBondContact O-CA 3.38Å; K274-Q277 WeakPolarHBondContact O-CB 3.42Å; K274-Q277 PolarHBondContact O-N 2.96Å; K274-E278 PolarHBondContact O-N 2.81Å; K274-E278 VanDerWaalsContact O-N 3.11Å
275M72.1Confident83.8Confident21 Ų2164.1 Ų64.110%0.10339%0.39CS..Hα-helixtrans-49-43.6178.8-162.677.3174.300113.1F267 P272 Q277 E278 V279 L320 Y322 F342F267-M275 HydrophobicContact CE1-CE 3.67Å; F267-M275 HydrophobicContact CE1-SD 4.22Å; F267-M275 HydrophobicContact CZ-CE 3.96Å; F267-M275 HydrophobicContact CZ-CG 4.45Å; F267-M275 HydrophobicContact CZ-SD 4.34Å; P272-M275 HydrophobicContact CG-SD 3.96Å; P272-M275 PolarHBondContact O-N 3.03Å; P272-M275 VanDerWaalsContact O-N 3.11Å; M275-Q277 PolarHBondContact O-N 2.85Å; M275-E278 PolarHBondContact O-N 2.83Å; M275-E278 VanDerWaalsContact O-N 3.11Å; M275-V279 WeakPolarHBondContact O-CG2 3.26Å; M275-V279 PolarHBondContact O-N 2.82Å; M275-V279 VanDerWaalsContact O-N 3.11Å; M275-L320 HydrophobicContact CE-CD1 4.27Å; M275-Y322 HydrophobicContact CE-CE2 4.07Å; M275-Y322 WeakPolarHBondContact CE-OH 3.49Å; M275-F342 HydrophobicContact CE-CB 3.99Å; M275-F342 HydrophobicContact CE-CD1 3.53Å; M275-F342 HydrophobicContact CE-CD2 3.82Å; M275-F342 HydrophobicContact CE-CE1 3.83Å; M275-F342 HydrophobicContact CE-CE2 4.12Å; M275-F342 HydrophobicContact CE-CG 3.49Å; M275-F342 VanDerWaalsContact CE-CG 3.49Å; M275-F342 HydrophobicContact CE-CZ 4.13Å; M275-F342 HydrophobicContact SD-CD2 4.27Å; M275-F342 HydrophobicContact SD-CE1 4.37Å; M275-F342 HydrophobicContact SD-CE2 4.09Å; M275-F342 HydrophobicContact SD-CG 4.49Å; M275-F342 HydrophobicContact SD-CZ 4.14Å
276S68.7Low83.8Confident116 Ų11665.7 Ų65.781%0.81141%0.41SS*.Hα-helixtrans-66.2-17.1178.6-490000114.4K274K274-S276 PolarHBondContact O-N 2.84Å; K274-S276 VanDerWaalsContact O-N 3.16Å
277Q71.8Confident83.9Confident144 Ų14469.4 Ų69.467%0.67343%0.427SS*.Hα-helixtrans-94.6-23.4174.4-57.9-175.9-45.300111.8K274 M275K274-Q277 HydrophobicContact CB-CB 4.25Å; K274-Q277 HydrophobicContact CB-CG 4.41Å; K274-Q277 VanDerWaalsContact CG-OE1 3.26Å; K274-Q277 WeakPolarHBondContact O-CA 3.38Å; K274-Q277 WeakPolarHBondContact O-CB 3.42Å; K274-Q277 PolarHBondContact O-N 2.96Å; M275-Q277 PolarHBondContact O-N 2.85Å
278E81.7Confident84.1Confident91 Ų9171.9 Ų71.943%0.42545%0.445SS..Hα-helixtrans-76.9-32.4175.1-72.4-179.1-164.700112.2P272 K274 M275 P280P272-E278 VanDerWaalsContact CB-OE1 3.29Å; P272-E278 WeakPolarHBondContact CB-OE1 3.5Å; K274-E278 PolarHBondContact O-N 2.81Å; K274-E278 VanDerWaalsContact O-N 3.11Å; M275-E278 PolarHBondContact O-N 2.83Å; M275-E278 VanDerWaalsContact O-N 3.11Å; E278-P280 VanDerWaalsContact O-CD 3.22Å; E278-P280 WeakPolarHBondContact O-CD 3.26Å
279V90.6Very high84.4Confident22 Ų2273.5 Ų73.513%0.13345%0.451CS..SBendtrans-76.1112.5176.1-178.80000109.4M275 R289 Y322 F340M275-V279 WeakPolarHBondContact O-CG2 3.26Å; M275-V279 PolarHBondContact O-N 2.82Å; M275-V279 VanDerWaalsContact O-N 3.11Å; V279-R289 HydrophobicContact CG1-CB 3.78Å; V279-Y322 HydrophobicContact CG1-CD1 4.21Å; V279-Y322 HydrophobicContact CG1-CG 4.15Å; V279-Y322 HydrophobicContact CG2-CD1 4.01Å; V279-Y322 HydrophobicContact CG2-CD2 4.29Å; V279-Y322 HydrophobicContact CG2-CE1 4.09Å; V279-Y322 HydrophobicContact CG2-CE2 4.35Å; V279-Y322 HydrophobicContact CG2-CG 4.13Å; V279-F340 HydrophobicContact CB-CD1 4.3Å; V279-F340 HydrophobicContact CB-CE1 4.35Å; V279-F340 HydrophobicContact CG1-CD1 4.06Å; V279-F340 HydrophobicContact CG2-CD1 3.92Å; V279-F340 HydrophobicContact CG2-CE1 3.74Å
280P92.6Very high84.8Confident63 Ų6371.7 Ų71.741%0.40944%0.438SS..PPolyproline II helixtrans-74155.5178.723.9-20.3000111.2E278 R289 F340E278-P280 VanDerWaalsContact O-CD 3.22Å; E278-P280 WeakPolarHBondContact O-CD 3.26Å; P280-R289 WeakPolarHBondContact O-CD 3.39Å; P280-R289 PolarHBondContact O-NH1 2.82Å; P280-F340 VanDerWaalsContact CD-CD2 3.42Å; P280-F340 HydrophobicContact CG-CD2 3.93Å; P280-F340 HydrophobicContact CG-CE2 4.42Å; P280-F340 HydrophobicContact CG-CG 4.47Å
281A93.8Very high85.5Confident51 Ų5164.3 Ų64.342%0.42141%0.406SS..PPolyproline II helixtrans-63.9159.7173.300000112.9G283 G286 R289A281-G283 PolarHBondContact O-N 3.49Å; A281-G286 WeakPolarHBondContact CB-O 3.49Å; A281-R289 PolarHBondContact O-NH1 3.14Å
282C93.1Very high86.4Confident4 Ų462.6 Ų62.63%0.02739%0.391CS..PPolyproline II helixtrans-56.1122.8174.8163.90000108.6S284 C285 G286 E287 C324 C328C282-S284 PolarHBondContact O-N 2.94Å; C282-S284 VanDerWaalsContact O-N 3.16Å; C282-S284 VanDerWaalsContact SG-CB 3.57Å; C282-S284 PolarHBondContact SG-N 3.28Å; C282-C285 PolarHBondContact O-N 3.47Å; C282-C285 PolarHBondContact SG-N 2.81Å; C282-C285 PolarHBondContact SG-SG 2.92Å; C282-G286 WeakPolarHBondContact O-CA 3.14Å; C282-G286 PolarHBondContact O-N 3.08Å; C282-E287 PolarHBondContact N-O 2.97Å; C282-C324 HydrophobicContact CB-CB 3.8Å; C282-C328 WeakPolarHBondContact CB-SG 3.23Å; C282-C328 WeakPolarHBondContact SG-CB 3.26Å; C282-C328 CovalentContact SG-SG 2.13Å; C282-C328 PolarHBondContact SG-SG 2.76Å
283G88.4Confident87.3Confident76 Ų7660.7 Ų60.778%0.78438%0.379SS*.THydrogen-bonded Turntrans-64.1-18.9178.500000113.9A281A281-G283 PolarHBondContact O-N 3.49Å
284S88.3Confident88.4Confident70 Ų7054.6 Ų54.649%0.4934%0.336SS..THydrogen-bonded Turntrans-90.6-36.6-179.6-42.50000114.2C282C282-S284 PolarHBondContact O-N 2.94Å; C282-S284 VanDerWaalsContact O-N 3.16Å; C282-S284 VanDerWaalsContact SG-CB 3.57Å; C282-S284 PolarHBondContact SG-N 3.28Å
285C91.5Very high89.7Confident58 Ų5848.1 Ų48.139%0.39231%0.308SS..THydrogen-bonded Turntrans-124.7-8.8-175.368.50000114.9C282 E287 C328C282-C285 PolarHBondContact O-N 3.47Å; C282-C285 PolarHBondContact SG-N 2.81Å; C282-C285 PolarHBondContact SG-SG 2.92Å; C285-E287 PolarHBondContact O-N 2.92Å; C285-C328 HydrophobicContact CB-CB 4.04Å; C285-C328 VanDerWaalsContact SG-CB 3.59Å
286G91.3Very high90.8Very high53 Ų5347.1 Ų47.155%0.54630%0.303SS..  trans77.7-4.7-179.500000115.5A281 C282A281-G286 WeakPolarHBondContact CB-O 3.49Å; C282-G286 WeakPolarHBondContact O-CA 3.14Å; C282-G286 PolarHBondContact O-N 3.08Å
287E92.9Very high92Very high91 Ų9143.9 Ų43.943%0.42528%0.279SS..PPolyproline II helixtrans-74.7154.5177.8-68.4-65.7144.200112.3C282 C285C282-E287 PolarHBondContact N-O 2.97Å; C285-E287 PolarHBondContact O-N 2.92Å
288P93.7Very high93.1Very high76 Ų7638.5 Ų38.549%0.49426%0.26SS..PPolyproline II helixtrans-63.2151.4-179.427.3-34.7000111.6T325P288-T325 PolarHBondContact O-N 2.94Å; P288-T325 PolarHBondContact O-OG1 3.12Å
289R94.2Very high93.8Very high41 Ų4134.2 Ų34.216%0.15524%0.24CC..EExtended strand (participates in β ladder)trans-88.7147.2168.9-64.4-176.6169.5105.9-8.9110.4V279 P280 A281 Y322 T323 E338 E339V279-R289 HydrophobicContact CG1-CB 3.78Å; P280-R289 WeakPolarHBondContact O-CD 3.39Å; P280-R289 PolarHBondContact O-NH1 2.82Å; A281-R289 PolarHBondContact O-NH1 3.14Å; R289-Y322 WeakPolarHBondContact CD-O 3.33Å; R289-T323 CarbonylContact C-O 3.43Å; R289-T323 WeakPolarHBondContact CA-O 3.45Å; R289-T323 WeakPolarHBondContact CB-O 3.38Å; R289-E338 PolarHBondContact NH2-O 3.16Å; R289-E339 IonicContact CZ-OE2 3.93Å; R289-E339 IonicContact NE-OE2 2.85Å; R289-E339 PolarHBondContact NE-OE2 2.91Å; R289-E339 VanDerWaalsContact NE-OE2 3.08Å
290T94.4Very high93.9Very high22 Ų2235 Ų3514%0.13525%0.245CC..EExtended strand (participates in β ladder)trans-115.8151.4176.7-177.50000110R261 H262 Y322 T323R261-T290 HydrophobicContact CG-CG2 4.34Å; H262-T290 WeakPolarHBondContact CA-OG1 3.17Å; T290-Y322 CarbonylContact O-C 3.5Å; T290-Y322 WeakPolarHBondContact O-CA 3.45Å; T290-T323 PolarHBondContact N-O 3.34Å; T290-T323 PolarHBondContact O-N 3.24Å
291F95.2Very high93.9Very high10 Ų1035.8 Ų35.84%0.04425%0.252CS..EExtended strand (participates in β ladder)trans-60.5142.5169.1172.3-103.1000110.4H262 S263 P265 L293 Q294 L320 Y322H262-F291 PolarHBondContact N-O 2.94Å; S263-F291 WeakPolarHBondContact O-CD1 3.08Å; S263-F291 VanDerWaalsContact OG-CD1 3.3Å; S263-F291 WeakPolarHBondContact OG-CD1 3.46Å; S263-F291 WeakPolarHBondContact OG-CE1 3.16Å; P265-F291 HydrophobicContact CB-CD1 4.41Å; P265-F291 HydrophobicContact CB-CD2 3.7Å; P265-F291 HydrophobicContact CB-CE1 4.4Å; P265-F291 HydrophobicContact CB-CE2 3.68Å; P265-F291 HydrophobicContact CB-CG 4.07Å; P265-F291 HydrophobicContact CB-CZ 4.05Å; P265-F291 HydrophobicContact CG-CD2 4.26Å; P265-F291 HydrophobicContact CG-CG 4.36Å; F291-L293 VanDerWaalsContact CE2-O 3.3Å; F291-L293 WeakPolarHBondContact CE2-O 3.45Å; F291-Q294 HydrophobicContact CE2-CB 3.87Å; F291-Q294 HydrophobicContact CZ-CB 3.66Å; F291-L320 HydrophobicContact CD2-CB 4.48Å; F291-L320 HydrophobicContact CE2-CB 4.37Å; F291-L320 HydrophobicContact CE2-CD2 4.05Å; F291-Y322 HydrophobicContact CB-CD1 4.09Å; F291-Y322 HydrophobicContact CB-CE1 3.8Å
292E96.1Very high93.8Very high0 Ų034.7 Ų34.70%024%0.238CC..EExtended strand (participates in β ladder)trans-139-46.8-179.6-177.6169.816400114.9R70 Y259 C260 R261 V321 T323R70-E292 IonicContact CZ-OE1 2.85Å; R70-E292 IonicContact CZ-OE2 3.7Å; R70-E292 IonicContact NH1-OE1 3.01Å; R70-E292 PolarHBondContact NH1-OE1 2.72Å; R70-E292 IonicContact NH1-OE2 2.69Å; R70-E292 IonicContact NH2-OE1 3.19Å; R70-E292 PolarHBondContact NH2-OE1 2.64Å; R70-E292 IonicContact NH2-OE2 3.62Å; R70-E292 PolarHBondContact NH2-OE2 3Å; Y259-E292 HydrophobicContact CD2-CG 4.31Å; Y259-E292 HydrophobicContact CE2-CG 3.55Å; Y259-E292 VanDerWaalsContact CE2-OE1 3.26Å; Y259-E292 WeakPolarHBondContact CE2-OE1 3.34Å; Y259-E292 PolarHBondContact OH-OE1 3.14Å; C260-E292 CarbonylContact C-O 3.45Å; C260-E292 PolarHBondContact N-O 3.47Å; R261-E292 HydrophobicContact CB-CG 4.05Å; R261-E292 HydrophobicContact CG-CB 4.19Å; R261-E292 HydrophobicContact CG-CG 3.91Å; R261-E292 IonicContact NE-OE2 3.93Å; E292-V321 PolarHBondContact N-O 3Å; E292-T323 HydrophobicContact CB-CG2 4.13Å; E292-T323 VanDerWaalsContact OE2-CB 3.3Å; E292-T323 WeakPolarHBondContact OE2-CB 3.31Å; E292-T323 WeakPolarHBondContact OE2-CG2 3.39Å; E292-T323 PolarHBondContact OE2-OG1 3.13Å
293L97.1Very high93.8Very high0 Ų034.9 Ų34.90%024%0.239CC..EExtended strand (participates in β ladder)trans-137.4141.4-171.3177.7157.7000109.8V59 L72 L74 L257 R258 Y259 F291 L295 V321V59-L293 HydrophobicContact CB-CD1 4.17Å; V59-L293 HydrophobicContact CG1-CD1 4.25Å; V59-L293 HydrophobicContact CG2-CD1 3.89Å; L72-L293 HydrophobicContact CD1-CB 4.46Å; L72-L293 HydrophobicContact CD1-CD1 4.09Å; L74-L293 HydrophobicContact CD1-CD2 4.45Å; L74-L293 HydrophobicContact CD2-CD2 4.05Å; L257-L293 HydrophobicContact CD1-CD1 3.89Å; L257-L293 HydrophobicContact CD1-CD2 4.22Å; L257-L293 HydrophobicContact CD1-CG 4.09Å; L257-L293 HydrophobicContact CD2-CD1 4.47Å; L257-L293 HydrophobicContact CD2-CG 4.4Å; L257-L293 HydrophobicContact CG-CD1 4.46Å; L257-L293 HydrophobicContact CG-CG 4.23Å; R258-L293 WeakPolarHBondContact O-CA 3.38Å; Y259-L293 HydrophobicContact CD2-CB 4.2Å; Y259-L293 HydrophobicContact CD2-CD1 4.22Å; F291-L293 VanDerWaalsContact CE2-O 3.3Å; F291-L293 WeakPolarHBondContact CE2-O 3.45Å; L293-L295 HydrophobicContact CD2-CD2 3.85Å; L293-L295 HydrophobicContact CD2-CG 4.2Å; L293-V321 HydrophobicContact CB-CB 4.24Å; L293-V321 HydrophobicContact CD2-CB 4.46Å; L293-V321 HydrophobicContact CD2-CG2 3.9Å; L293-V321 PolarHBondContact O-N 3.41Å
294Q97.6Very high93.9Very high1 Ų137 Ų371%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-128.6126.8176.1169.7169.711.700110.4L257 R258 L266 F291 M296 T318 V319 L320L257-Q294 CarbonylContact C-O 3.01Å; L257-Q294 WeakPolarHBondContact CA-O 3.26Å; R258-Q294 HydrophobicContact CB-CB 4.29Å; R258-Q294 PolarHBondContact N-O 3.25Å; R258-Q294 PolarHBondContact O-N 3.03Å; L266-Q294 PolarHBondContact O-NE2 3.39Å; F291-Q294 HydrophobicContact CE2-CB 3.87Å; F291-Q294 HydrophobicContact CZ-CB 3.66Å; Q294-M296 HydrophobicContact CG-SD 3.71Å; Q294-T318 VanDerWaalsContact CG-OG1 3.32Å; Q294-T318 WeakPolarHBondContact CG-OG1 3.36Å; Q294-T318 PolarHBondContact NE2-OG1 3.12Å; Q294-V319 CarbonylContact C-O 3.59Å; Q294-V319 VanDerWaalsContact CA-O 3.26Å; Q294-V319 WeakPolarHBondContact CA-O 3.11Å; Q294-L320 HydrophobicContact CB-CD2 3.93Å; Q294-L320 HydrophobicContact CG-CD2 3.66Å
295L97.8Very high93.9Very high0 Ų035.7 Ų35.70%021%0.213CC..EExtended strand (participates in β ladder)trans-86136.3166.8-58.2-174.5000110V56 V57 L74 W89 L257 L293 L299 F316 T318 V319V56-L295 HydrophobicContact CG1-CD1 4.3Å; V57-L295 HydrophobicContact CG1-CD2 3.99Å; V57-L295 HydrophobicContact CG2-CD2 3.96Å; L74-L295 HydrophobicContact CD2-CD1 3.45Å; L74-L295 VanDerWaalsContact CD2-CD1 3.45Å; L74-L295 HydrophobicContact CD2-CD2 4.13Å; L74-L295 HydrophobicContact CD2-CG 3.73Å; W89-L295 HydrophobicContact CH2-CD1 4.17Å; W89-L295 HydrophobicContact CZ3-CD1 3.71Å; L257-L295 HydrophobicContact CD1-CD2 3.81Å; L257-L295 HydrophobicContact CG-CD2 4.32Å; L293-L295 HydrophobicContact CD2-CD2 3.85Å; L293-L295 HydrophobicContact CD2-CG 4.2Å; L295-L299 HydrophobicContact CB-CD2 4.11Å; L295-L299 HydrophobicContact CD1-CD2 3.82Å; L295-L299 HydrophobicContact CD2-CD2 3.88Å; L295-L299 HydrophobicContact CG-CD2 4.16Å; L295-F316 HydrophobicContact CB-CE2 4.06Å; L295-F316 HydrophobicContact CB-CZ 4.49Å; L295-T318 WeakPolarHBondContact O-CA 3.23Å; L295-T318 WeakPolarHBondContact O-CB 3.19Å; L295-T318 PolarHBondContact O-OG1 3.26Å; L295-V319 HydrophobicContact CB-CB 4.02Å; L295-V319 HydrophobicContact CB-CG2 4.41Å; L295-V319 HydrophobicContact CD1-CB 4.14Å; L295-V319 HydrophobicContact CD1-CG2 4.3Å; L295-V319 HydrophobicContact CG-CB 4.19Å; L295-V319 PolarHBondContact N-O 3.32Å; L295-V319 PolarHBondContact O-N 2.82Å
296M96.3Very high93.6Very high1 Ų136.8 Ų36.81%0.00522%0.218CC..  trans-102.5153.1-174.6-60.8-60.6-65.900110.8F245 V249 Q255 I256 R258 L266 Q294 A298 L299F245-M296 HydrophobicContact CE2-CE 3.82Å; F245-M296 HydrophobicContact CZ-CE 3.84Å; V249-M296 HydrophobicContact CG2-CE 3.49Å; V249-M296 VanDerWaalsContact CG2-CE 3.49Å; Q255-M296 HydrophobicContact CG-CB 4.33Å; Q255-M296 HydrophobicContact CG-CE 4.12Å; Q255-M296 HydrophobicContact CG-CG 4.01Å; Q255-M296 WeakPolarHBondContact O-CB 3.31Å; I256-M296 PolarHBondContact O-N 2.86Å; R258-M296 HydrophobicContact CG-CG 4.06Å; R258-M296 HydrophobicContact CG-SD 3.97Å; L266-M296 HydrophobicContact CD2-CE 4.4Å; Q294-M296 HydrophobicContact CG-SD 3.71Å; M296-A298 PolarHBondContact O-N 2.78Å; M296-A298 VanDerWaalsContact O-N 3.14Å; M296-L299 VanDerWaalsContact O-CB 3.24Å; M296-L299 WeakPolarHBondContact O-CB 3.4Å; M296-L299 PolarHBondContact O-N 3.47Å; M296-L299 VanDerWaalsContact O-N 3.08Å
297P93.9Very high93.1Very high47 Ų4738.1 Ų38.131%0.30521%0.213SC..G310 helixtrans-57.1-32.1-175.3-13.114.4000114F245 I268 L299 V300 G317F245-P297 HydrophobicContact CE1-CG 4.42Å; F245-P297 HydrophobicContact CZ-CG 3.84Å; I268-P297 HydrophobicContact CD1-CG 4.39Å; P297-L299 PolarHBondContact O-N 3.44Å; P297-V300 WeakPolarHBondContact O-CB 3.25Å; P297-V300 WeakPolarHBondContact O-CG2 3.16Å; P297-V300 PolarHBondContact O-N 3.48Å; P297-G317 WeakPolarHBondContact CD-O 3.22Å; P297-G317 WeakPolarHBondContact CG-O 3.39Å
298A94.3Very high91.8Very high31 Ų3138.8 Ų38.826%0.25623%0.227SC..G310 helixtrans-56.8-25.8179.900000113.2Q255 I256 M296 V300 S301Q255-A298 WeakPolarHBondContact O-CB 3.26Å; I256-A298 HydrophobicContact CG2-CB 4.26Å; M296-A298 PolarHBondContact O-N 2.78Å; M296-A298 VanDerWaalsContact O-N 3.14Å; A298-V300 VanDerWaalsContact C-N 3.26Å; A298-V300 PolarHBondContact O-N 2.89Å; A298-S301 PolarHBondContact O-N 2.7Å; A298-S301 PolarHBondContact O-OG 2.75Å
299L95.9Very high90.3Very high1 Ų137.2 Ų37.21%0.00522%0.218CC..G310 helixtrans-60.5-32.9177.7178.759.6000112.9V29 V56 V57 I256 L295 M296 P297 S301 L302 L303 F316V29-L299 HydrophobicContact CB-CD1 4.28Å; V29-L299 HydrophobicContact CG1-CD1 3.62Å; V29-L299 HydrophobicContact CG2-CD1 3.59Å; V56-L299 HydrophobicContact CG1-CD2 4.11Å; V57-L299 HydrophobicContact CG1-CD1 4.42Å; V57-L299 HydrophobicContact CG1-CD2 3.74Å; I256-L299 HydrophobicContact CB-CB 4.02Å; I256-L299 HydrophobicContact CB-CD1 4.19Å; I256-L299 HydrophobicContact CD1-CD1 4.4Å; I256-L299 HydrophobicContact CG2-CB 4.27Å; L295-L299 HydrophobicContact CB-CD2 4.11Å; L295-L299 HydrophobicContact CD1-CD2 3.82Å; L295-L299 HydrophobicContact CD2-CD2 3.88Å; L295-L299 HydrophobicContact CG-CD2 4.16Å; M296-L299 VanDerWaalsContact O-CB 3.24Å; M296-L299 WeakPolarHBondContact O-CB 3.4Å; M296-L299 PolarHBondContact O-N 3.47Å; M296-L299 VanDerWaalsContact O-N 3.08Å; P297-L299 PolarHBondContact O-N 3.44Å; L299-S301 PolarHBondContact O-N 3.26Å; L299-S301 VanDerWaalsContact O-N 3.16Å; L299-L302 HydrophobicContact CD1-CD1 4.33Å; L299-L302 WeakPolarHBondContact O-CB 3.3Å; L299-L302 PolarHBondContact O-N 3.29Å; L299-L303 HydrophobicContact CD1-CD2 4.44Å; L299-L303 HydrophobicContact CG-CD1 4.23Å; L299-L303 HydrophobicContact CG-CG 4.33Å; L299-F316 HydrophobicContact CB-CZ 4.07Å; L299-F316 HydrophobicContact CD2-CZ 4.02Å; L299-F316 HydrophobicContact CG-CZ 4.18Å
300V93.3Very high88.5Confident40 Ų4045.4 Ų45.424%0.24225%0.249CC..G310 helixtrans-52.7-40.5-178.7171.80000111.3P297 A298 L302 L303 L314 F316P297-V300 WeakPolarHBondContact O-CB 3.25Å; P297-V300 WeakPolarHBondContact O-CG2 3.16Å; P297-V300 PolarHBondContact O-N 3.48Å; A298-V300 VanDerWaalsContact C-N 3.26Å; A298-V300 PolarHBondContact O-N 2.89Å; V300-L302 PolarHBondContact O-N 3.34Å; V300-L302 VanDerWaalsContact O-N 3.14Å; V300-L303 PolarHBondContact O-N 2.97Å; V300-L303 VanDerWaalsContact O-N 3.08Å; V300-L314 WeakPolarHBondContact CG1-O 3.43Å; V300-F316 HydrophobicContact CG2-CD1 3.72Å; V300-F316 HydrophobicContact CG2-CD2 4.48Å; V300-F316 HydrophobicContact CG2-CE1 3.47Å; V300-F316 VanDerWaalsContact CG2-CE1 3.47Å; V300-F316 HydrophobicContact CG2-CE2 4.28Å; V300-F316 HydrophobicContact CG2-CG 4.23Å; V300-F316 HydrophobicContact CG2-CZ 3.78Å
301S92.2Very high86.7Confident79 Ų7953 Ų5355%0.55228%0.283SS*.G310 helixtrans-62.1-22.7-179.369.50000114.6A298 L299 Q304A298-S301 PolarHBondContact O-N 2.7Å; A298-S301 PolarHBondContact O-OG 2.75Å; L299-S301 PolarHBondContact O-N 3.26Å; L299-S301 VanDerWaalsContact O-N 3.16Å; S301-Q304 PolarHBondContact O-NE2 3.12Å; S301-Q304 VanDerWaalsContact O-NE2 3.14Å
302L92.7Very high85.2Confident28 Ų2854.2 Ų54.215%0.14729%0.29CS..G310 helixtrans-90.9-16.2179.6-56.8178.3000112.7C11 V29 F181 I256 L299 V300 Q304C11-L302 HydrophobicContact CB-CD1 3.72Å; V29-L302 HydrophobicContact CG1-CB 4.31Å; V29-L302 HydrophobicContact CG2-CD1 4.48Å; F181-L302 HydrophobicContact CD2-CB 4.37Å; F181-L302 HydrophobicContact CE2-CB 4.44Å; I256-L302 HydrophobicContact CD1-CD1 4.18Å; I256-L302 HydrophobicContact CG2-CD1 3.85Å; L299-L302 HydrophobicContact CD1-CD1 4.33Å; L299-L302 WeakPolarHBondContact O-CB 3.3Å; L299-L302 PolarHBondContact O-N 3.29Å; V300-L302 PolarHBondContact O-N 3.34Å; V300-L302 VanDerWaalsContact O-N 3.14Å; L302-Q304 PolarHBondContact O-N 2.86Å
303L92.5Very high84.2Confident7 Ų760.1 Ų60.14%0.03732%0.317CS..  trans-84.757.8-174.8-61.7177000111.6V29 V56 F178 L299 V300 L314 F316V29-L303 HydrophobicContact CG1-CD2 3.68Å; V56-L303 HydrophobicContact CG1-CD1 3.73Å; V56-L303 HydrophobicContact CG1-CD2 3.78Å; V56-L303 HydrophobicContact CG1-CG 4.42Å; F178-L303 HydrophobicContact CB-CD2 4.37Å; F178-L303 HydrophobicContact CD1-CB 3.91Å; F178-L303 VanDerWaalsContact CD1-O 3.23Å; F178-L303 WeakPolarHBondContact CD1-O 3.48Å; F178-L303 HydrophobicContact CD2-CD2 3.88Å; F178-L303 HydrophobicContact CE1-CB 3.92Å; F178-L303 VanDerWaalsContact CE1-O 3.26Å; F178-L303 WeakPolarHBondContact CE1-O 3.36Å; F178-L303 HydrophobicContact CE2-CD2 4.28Å; F178-L303 HydrophobicContact CG-CB 4.22Å; F178-L303 HydrophobicContact CG-CD2 4.04Å; F178-L303 HydrophobicContact CZ-CB 4.25Å; L299-L303 HydrophobicContact CD1-CD2 4.44Å; L299-L303 HydrophobicContact CG-CD1 4.23Å; L299-L303 HydrophobicContact CG-CG 4.33Å; V300-L303 PolarHBondContact O-N 2.97Å; V300-L303 VanDerWaalsContact O-N 3.08Å; L303-L314 HydrophobicContact CD1-CB 4.39Å; L303-L314 HydrophobicContact CD1-CD2 3.54Å; L303-L314 HydrophobicContact CD1-CG 4.46Å; L303-F316 HydrophobicContact CD1-CE1 3.87Å; L303-F316 HydrophobicContact CD1-CZ 4.49Å
304Q90.7Very high83.8Confident122 Ų12260.2 Ų60.257%0.5732%0.318SS*.  trans-89.2128.4177.1-62.7177.217.100109.7F178 C179 S301 L302F178-Q304 CarbonylContact C-O 3.58Å; F178-Q304 VanDerWaalsContact CA-O 3.27Å; F178-Q304 WeakPolarHBondContact CA-O 3.49Å; C179-Q304 PolarHBondContact N-O 2.67Å; S301-Q304 PolarHBondContact O-NE2 3.12Å; S301-Q304 VanDerWaalsContact O-NE2 3.14Å; L302-Q304 PolarHBondContact O-N 2.86Å
305R88.6Confident83.3Confident42 Ų4264.4 Ų64.416%0.15834%0.337CS..BIsolated β-bridgetrans-69.9141.4178.2-65.4175.163.3153.1-2.7110.9I177 F178 D307 S309 D312I177-R305 WeakPolarHBondContact O-CA 3.33Å; F178-R305 HydrophobicContact CD1-CG 4.14Å; F178-R305 HydrophobicContact CE1-CG 3.99Å; R305-D307 VanDerWaalsContact CB-OD1 3.25Å; R305-D307 WeakPolarHBondContact CB-OD1 3.33Å; R305-D307 IonicContact CZ-OD1 3.45Å; R305-D307 IonicContact CZ-OD2 3.2Å; R305-D307 IonicContact NE-OD1 3.34Å; R305-D307 PolarHBondContact NE-OD1 2.87Å; R305-D307 IonicContact NE-OD2 2.62Å; R305-D307 PolarHBondContact NE-OD2 3.14Å; R305-D307 IonicContact NH2-OD1 2.73Å; R305-D307 IonicContact NH2-OD2 2.7Å; R305-D307 PolarHBondContact NH2-OD2 2.86Å; R305-D307 PolarHBondContact O-N 3.38Å; R305-S309 PolarHBondContact NE-OG 2.76Å; R305-S309 PolarHBondContact NH2-OG 3.24Å; R305-D312 IonicContact NH1-OD2 3.05Å; R305-D312 PolarHBondContact NH1-OD2 2.93Å
306T85.8Confident83.1Confident81 Ų8164.4 Ų64.450%0.49734%0.337SS..THydrogen-bonded Turntrans-69.4-20.8177.355.80000113.2I177 S308I177-T306 HydrophobicContact CG2-CG2 4.34Å; I177-T306 PolarHBondContact O-N 3.12Å; I177-T306 PolarHBondContact O-OG1 3.27Å; T306-S308 VanDerWaalsContact C-N 3.34Å
307D80.3Confident82.9Confident81 Ų8164.5 Ų64.543%0.43334%0.338SS..THydrogen-bonded Turntrans-89.28.2-176.763.113.3000114.1R305 S309R305-D307 VanDerWaalsContact CB-OD1 3.25Å; R305-D307 WeakPolarHBondContact CB-OD1 3.33Å; R305-D307 IonicContact CZ-OD1 3.45Å; R305-D307 IonicContact CZ-OD2 3.2Å; R305-D307 IonicContact NE-OD1 3.34Å; R305-D307 PolarHBondContact NE-OD1 2.87Å; R305-D307 IonicContact NE-OD2 2.62Å; R305-D307 PolarHBondContact NE-OD2 3.14Å; R305-D307 IonicContact NH2-OD1 2.73Å; R305-D307 IonicContact NH2-OD2 2.7Å; R305-D307 PolarHBondContact NH2-OD2 2.86Å; R305-D307 PolarHBondContact O-N 3.38Å; D307-S309 PolarHBondContact O-N 3.08Å; D307-S309 PolarHBondContact OD1-N 2.99Å; D307-S309 PolarHBondContact OD1-OG 2.94Å
308S64.7Low82.9Confident104 Ų10462.2 Ų62.273%0.72732%0.324SS*.  trans61.48176.2-44.70000116T306 R310T306-S308 VanDerWaalsContact C-N 3.34Å; S308-R310 PolarHBondContact O-N 2.85Å; S308-R310 VanDerWaalsContact O-N 3.17Å
309S63.6Low83.1Confident43 Ų4360.8 Ų60.830%0.30131%0.311SS..  trans-73.1106.2174.759.90000109.8R305 D307 E311R305-S309 PolarHBondContact NE-OG 2.76Å; R305-S309 PolarHBondContact NH2-OG 3.24Å; D307-S309 PolarHBondContact O-N 3.08Å; D307-S309 PolarHBondContact OD1-N 2.99Å; D307-S309 PolarHBondContact OD1-OG 2.94Å; S309-E311 VanDerWaalsContact C-N 3.29Å; S309-E311 PolarHBondContact O-N 2.85Å
310R56.4Low83.1Confident214 Ų21460.7 Ų60.781%0.80831%0.311SS*.THydrogen-bonded Turntrans-84.31.4-177.9-68.1-171.9174.5-161.9-3.9114.1S308S308-R310 PolarHBondContact O-N 2.85Å; S308-R310 VanDerWaalsContact O-N 3.17Å
311E56.1Low83.3Confident182 Ų18258.8 Ų58.885%0.8530%0.3SS*.THydrogen-bonded Turntrans-87-8.8-172.6-59.9-169151.300113.1S309S309-E311 VanDerWaalsContact C-N 3.29Å; S309-E311 PolarHBondContact O-N 2.85Å
312D63.8Low83.5Confident35 Ų3556 Ų5619%0.18728%0.277CS..  trans-131.459.6-173.5-68.8-28.5000111.5C78 P80 R305C78-D312 HydrophobicContact CB-CB 4.31Å; C78-D312 WeakPolarHBondContact O-CB 3.1Å; P80-D312 WeakPolarHBondContact CD-OD1 3.31Å; P80-D312 WeakPolarHBondContact CG-OD1 3.33Å; R305-D312 IonicContact NH1-OD2 3.05Å; R305-D312 PolarHBondContact NH1-OD2 2.93Å
313E74.3Confident83.6Confident124 Ų12454.6 Ų54.658%0.57927%0.27SS*.  trans-77.8131174.8-72.4-177-179.700110.9E315E313-E315 PolarHBondContact O-N 3.1Å; E313-E315 VanDerWaalsContact O-N 3.12Å
314L88.8Confident83.7Confident2 Ų254.3 Ų54.31%0.0127%0.268CS..  trans-77.7100.9-179.2-174.678000110.4V56 A76 C77 W89 F178 V300 L303 F316V56-L314 HydrophobicContact CG2-CD2 4.04Å; A76-L314 HydrophobicContact CB-CD1 3.7Å; A76-L314 HydrophobicContact CB-CD2 3.64Å; A76-L314 HydrophobicContact CB-CG 4.35Å; C77-L314 VanDerWaalsContact O-CD1 3.26Å; C77-L314 WeakPolarHBondContact O-CD1 3.48Å; W89-L314 HydrophobicContact CH2-CD2 3.66Å; W89-L314 HydrophobicContact CZ2-CD1 4.32Å; W89-L314 HydrophobicContact CZ2-CD2 3.73Å; W89-L314 HydrophobicContact CZ2-CG 4.23Å; F178-L314 HydrophobicContact CZ-CB 4.19Å; F178-L314 HydrophobicContact CZ-CD2 4.45Å; V300-L314 WeakPolarHBondContact CG1-O 3.43Å; L303-L314 HydrophobicContact CD1-CB 4.39Å; L303-L314 HydrophobicContact CD1-CD2 3.54Å; L303-L314 HydrophobicContact CD1-CG 4.46Å; L314-F316 HydrophobicContact CD2-CD1 4.14Å; L314-F316 HydrophobicContact CD2-CE1 4.04Å; L314-F316 HydrophobicContact CG-CD1 4.2Å; L314-F316 HydrophobicContact CG-CE1 4.48Å
315E88.4Confident83.8Confident88 Ų8850.7 Ų50.741%0.41126%0.255SS..  trans-97.2132.1176.1-65.5179.6178.500113.5S83 E313 Q349S83-E315 CarbonylContact C-O 3.48Å; S83-E315 VanDerWaalsContact CB-O 3.26Å; S83-E315 WeakPolarHBondContact CB-O 3.22Å; S83-E315 PolarHBondContact OG-O 2.91Å; S83-E315 VanDerWaalsContact OG-O 3.13Å; E313-E315 PolarHBondContact O-N 3.1Å; E313-E315 VanDerWaalsContact O-N 3.12Å; E315-Q349 PolarHBondContact OE2-NE2 3.15Å
316F92.4Very high83.9Confident1 Ų153.7 Ų53.70%0.00427%0.274CS..  trans-155.9154.6169.960.7-86.5000110.2W89 L295 L299 V300 L303 L314 V319 V343W89-F316 AromaticContact CH2-CD1 3.7Å; W89-F316 HydrophobicContact CH2-CD1 3.7Å; W89-F316 AromaticContact CH2-CE1 3.71Å; W89-F316 HydrophobicContact CH2-CE1 3.71Å; W89-F316 HydrophobicContact CH2-CG 4.2Å; W89-F316 HydrophobicContact CH2-CZ 4.23Å; W89-F316 HydrophobicContact CZ2-CB 4.14Å; W89-F316 AromaticContact CZ2-CD1 3.47Å; W89-F316 HydrophobicContact CZ2-CD1 3.47Å; W89-F316 VanDerWaalsContact CZ2-CD1 3.47Å; W89-F316 AromaticContact CZ2-CE1 4Å; W89-F316 HydrophobicContact CZ2-CE1 4Å; W89-F316 AromaticContact CZ2-CG 3.82Å; W89-F316 HydrophobicContact CZ2-CG 3.82Å; L295-F316 HydrophobicContact CB-CE2 4.06Å; L295-F316 HydrophobicContact CB-CZ 4.49Å; L299-F316 HydrophobicContact CB-CZ 4.07Å; L299-F316 HydrophobicContact CD2-CZ 4.02Å; L299-F316 HydrophobicContact CG-CZ 4.18Å; V300-F316 HydrophobicContact CG2-CD1 3.72Å; V300-F316 HydrophobicContact CG2-CD2 4.48Å; V300-F316 HydrophobicContact CG2-CE1 3.47Å; V300-F316 VanDerWaalsContact CG2-CE1 3.47Å; V300-F316 HydrophobicContact CG2-CE2 4.28Å; V300-F316 HydrophobicContact CG2-CG 4.23Å; V300-F316 HydrophobicContact CG2-CZ 3.78Å; L303-F316 HydrophobicContact CD1-CE1 3.87Å; L303-F316 HydrophobicContact CD1-CZ 4.49Å; L314-F316 HydrophobicContact CD2-CD1 4.14Å; L314-F316 HydrophobicContact CD2-CE1 4.04Å; L314-F316 HydrophobicContact CG-CD1 4.2Å; L314-F316 HydrophobicContact CG-CE1 4.48Å; F316-V319 HydrophobicContact CB-CG2 4.46Å; F316-V319 HydrophobicContact CD2-CG2 3.74Å; F316-V319 HydrophobicContact CE2-CG2 4.18Å; F316-V319 HydrophobicContact CG-CG2 4.08Å; F316-V343 HydrophobicContact CB-CG1 4.31Å
317G92.3Very high84.2Confident2 Ų250.4 Ų50.42%0.02125%0.254CS..SBendtrans-81.5-62.6171.800000110.8I268 P297 Q344I268-G317 WeakPolarHBondContact CD1-O 3.42Å; P297-G317 WeakPolarHBondContact CD-O 3.22Å; P297-G317 WeakPolarHBondContact CG-O 3.39Å; G317-Q344 VanDerWaalsContact CA-O 3.29Å; G317-Q344 WeakPolarHBondContact CA-O 3.47Å; G317-Q344 PolarHBondContact N-O 3.43Å
318T94.8Very high84.6Confident0 Ų047.3 Ų47.30%024%0.239CC..EExtended strand (participates in β ladder)trans-150.5147.1174-171.20000111.3I268 Q294 L295 L320 V343 Q344I268-T318 HydrophobicContact CD1-CG2 3.75Å; I268-T318 HydrophobicContact CG1-CG2 3.88Å; Q294-T318 VanDerWaalsContact CG-OG1 3.32Å; Q294-T318 WeakPolarHBondContact CG-OG1 3.36Å; Q294-T318 PolarHBondContact NE2-OG1 3.12Å; L295-T318 WeakPolarHBondContact O-CA 3.23Å; L295-T318 WeakPolarHBondContact O-CB 3.19Å; L295-T318 PolarHBondContact O-OG1 3.26Å; T318-L320 HydrophobicContact CG2-CD2 4.39Å; T318-V343 WeakPolarHBondContact O-CA 3.25Å; T318-Q344 HydrophobicContact CG2-CB 3.99Å; T318-Q344 HydrophobicContact CG2-CG 4.26Å; T318-Q344 PolarHBondContact N-O 3.06Å; T318-Q344 PolarHBondContact O-N 2.78Å
319V96.7Very high85.6Confident0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans-116122.2175.8-1740000108.8W89 Q294 L295 F316 C341 V343W89-V319 HydrophobicContact CD2-CG1 4.25Å; W89-V319 HydrophobicContact CD2-CG2 3.99Å; W89-V319 HydrophobicContact CE3-CB 4.49Å; W89-V319 HydrophobicContact CE3-CG1 3.98Å; W89-V319 HydrophobicContact CE3-CG2 3.95Å; W89-V319 HydrophobicContact CH2-CG2 3.67Å; W89-V319 HydrophobicContact CZ2-CG2 3.7Å; W89-V319 HydrophobicContact CZ3-CB 4.48Å; W89-V319 HydrophobicContact CZ3-CG1 4.4Å; W89-V319 HydrophobicContact CZ3-CG2 3.79Å; Q294-V319 CarbonylContact C-O 3.59Å; Q294-V319 VanDerWaalsContact CA-O 3.26Å; Q294-V319 WeakPolarHBondContact CA-O 3.11Å; L295-V319 HydrophobicContact CB-CB 4.02Å; L295-V319 HydrophobicContact CB-CG2 4.41Å; L295-V319 HydrophobicContact CD1-CB 4.14Å; L295-V319 HydrophobicContact CD1-CG2 4.3Å; L295-V319 HydrophobicContact CG-CB 4.19Å; L295-V319 PolarHBondContact N-O 3.32Å; L295-V319 PolarHBondContact O-N 2.82Å; F316-V319 HydrophobicContact CB-CG2 4.46Å; F316-V319 HydrophobicContact CD2-CG2 3.74Å; F316-V319 HydrophobicContact CE2-CG2 4.18Å; F316-V319 HydrophobicContact CG-CG2 4.08Å; V319-C341 HydrophobicContact CG1-CB 4.46Å; V319-V343 HydrophobicContact CG1-CG2 4.15Å; V319-V343 HydrophobicContact CG2-CG1 4.43Å; V319-V343 HydrophobicContact CG2-CG2 4.17Å
320L96.4Very high86.2Confident0 Ų045.2 Ų45.20%022%0.219CC..EExtended strand (participates in β ladder)trans-105.7124.7179.5-51.7179.1000109.1P265 F267 M275 F291 Q294 T318 Y322 C341 F342P265-L320 HydrophobicContact CB-CD1 3.72Å; P265-L320 HydrophobicContact CB-CD2 3.71Å; P265-L320 HydrophobicContact CB-CG 4.26Å; P265-L320 HydrophobicContact CG-CD1 4.09Å; F267-L320 HydrophobicContact CD1-CD1 3.76Å; F267-L320 HydrophobicContact CE1-CD1 3.39Å; F267-L320 HydrophobicContact CZ-CD1 4.13Å; M275-L320 HydrophobicContact CE-CD1 4.27Å; F291-L320 HydrophobicContact CD2-CB 4.48Å; F291-L320 HydrophobicContact CE2-CB 4.37Å; F291-L320 HydrophobicContact CE2-CD2 4.05Å; Q294-L320 HydrophobicContact CB-CD2 3.93Å; Q294-L320 HydrophobicContact CG-CD2 3.66Å; T318-L320 HydrophobicContact CG2-CD2 4.39Å; L320-Y322 HydrophobicContact CB-CE2 3.82Å; L320-C341 WeakPolarHBondContact O-CA 3.4Å; L320-F342 HydrophobicContact CB-CB 4.38Å; L320-F342 HydrophobicContact CD1-CD1 3.99Å; L320-F342 PolarHBondContact N-O 2.71Å; L320-F342 PolarHBondContact O-N 2.7Å
321V97.3Very high86.6Confident0 Ų039.9 Ų39.90%022%0.22CC..EExtended strand (participates in β ladder)trans-105.1129.8178.3-176.40000109.9L74 A91 E292 L293 T323 E339L74-V321 HydrophobicContact CD1-CG2 4.34Å; L74-V321 HydrophobicContact CD2-CG2 3.72Å; L74-V321 HydrophobicContact CG-CG2 4.21Å; A91-V321 HydrophobicContact CB-CG1 3.92Å; A91-V321 HydrophobicContact CB-CG2 4.43Å; E292-V321 PolarHBondContact N-O 3Å; L293-V321 HydrophobicContact CB-CB 4.24Å; L293-V321 HydrophobicContact CD2-CB 4.46Å; L293-V321 HydrophobicContact CD2-CG2 3.9Å; L293-V321 PolarHBondContact O-N 3.41Å; V321-T323 HydrophobicContact CG1-CG2 4.06Å; V321-E339 HydrophobicContact CG1-CB 4.49Å
322Y96.1Very high87.1Confident19 Ų1934.9 Ų34.98%0.07522%0.217CC..EExtended strand (participates in β ladder)trans-115.3126.1175.4-64.4-102.1000109.5M275 V279 R289 T290 F291 L320 F340 F342M275-Y322 HydrophobicContact CE-CE2 4.07Å; M275-Y322 WeakPolarHBondContact CE-OH 3.49Å; V279-Y322 HydrophobicContact CG1-CD1 4.21Å; V279-Y322 HydrophobicContact CG1-CG 4.15Å; V279-Y322 HydrophobicContact CG2-CD1 4.01Å; V279-Y322 HydrophobicContact CG2-CD2 4.29Å; V279-Y322 HydrophobicContact CG2-CE1 4.09Å; V279-Y322 HydrophobicContact CG2-CE2 4.35Å; V279-Y322 HydrophobicContact CG2-CG 4.13Å; R289-Y322 WeakPolarHBondContact CD-O 3.33Å; T290-Y322 CarbonylContact O-C 3.5Å; T290-Y322 WeakPolarHBondContact O-CA 3.45Å; F291-Y322 HydrophobicContact CB-CD1 4.09Å; F291-Y322 HydrophobicContact CB-CE1 3.8Å; L320-Y322 HydrophobicContact CB-CE2 3.82Å; Y322-F340 AromaticContact CD2-CD1 3.83Å; Y322-F340 HydrophobicContact CD2-CD1 3.83Å; Y322-F340 HydrophobicContact CD2-CE1 4.37Å; Y322-F340 HydrophobicContact CG-CD1 4.27Å; Y322-F340 PolarHBondContact N-O 2.77Å; Y322-F340 PolarHBondContact O-N 3.22Å; Y322-F340 VanDerWaalsContact O-N 3.1Å; Y322-F342 HydrophobicContact CE2-CB 4.28Å
323T95.9Very high87.7Confident0 Ų035.9 Ų35.90%023%0.225CC..EExtended strand (participates in β ladder)trans-120.3165.1-179.376.90000111.1L72 R289 T290 E292 V321 T325 E339L72-T323 HydrophobicContact CD1-CG2 4.4Å; L72-T323 HydrophobicContact CD2-CG2 4.13Å; R289-T323 CarbonylContact C-O 3.43Å; R289-T323 WeakPolarHBondContact CA-O 3.45Å; R289-T323 WeakPolarHBondContact CB-O 3.38Å; T290-T323 PolarHBondContact N-O 3.34Å; T290-T323 PolarHBondContact O-N 3.24Å; E292-T323 HydrophobicContact CB-CG2 4.13Å; E292-T323 VanDerWaalsContact OE2-CB 3.3Å; E292-T323 WeakPolarHBondContact OE2-CB 3.31Å; E292-T323 WeakPolarHBondContact OE2-CG2 3.39Å; E292-T323 PolarHBondContact OE2-OG1 3.13Å; V321-T323 HydrophobicContact CG1-CG2 4.06Å; T323-T325 PolarHBondContact O-N 2.75Å; T323-E339 WeakPolarHBondContact CA-OE2 3.46Å; T323-E339 HydrophobicContact CG2-CB 4.28Å; T323-E339 HydrophobicContact CG2-CG 3.98Å
324C94.4Very high88.1Confident0 Ų034 Ų340%022%0.219CC..EExtended strand (participates in β ladder)trans-58.5131.8176.1-177.70000113.1R261 C282 N326 S327 C328R261-C324 PolarHBondContact NH2-O 2.95Å; C282-C324 HydrophobicContact CB-CB 3.8Å; C324-N326 PolarHBondContact O-N 3.31Å; C324-N326 PolarHBondContact SG-N 3.28Å; C324-S327 PolarHBondContact O-N 2.88Å; C324-C328 HydrophobicContact CB-CB 4.31Å; C324-C328 WeakPolarHBondContact CB-SG 3.27Å; C324-C328 PolarHBondContact SG-SG 3.03Å
325T93.1Very high88.1Confident46 Ų4636.5 Ų36.528%0.28224%0.236SC..THydrogen-bonded Turntrans-56.2-35.6173.7-55.80000112.7R261 P288 T323R261-T325 VanDerWaalsContact NH2-C 3.3Å; R261-T325 PolarHBondContact NH2-O 2.86Å; P288-T325 PolarHBondContact O-N 2.94Å; P288-T325 PolarHBondContact O-OG1 3.12Å; T323-T325 PolarHBondContact O-N 2.75Å
326N91Very high88.3Confident105 Ų10532.9 Ų32.956%0.56122%0.22SC*.THydrogen-bonded Turntrans-90.32.5178.5-68.2-12.3000113.7C324 C328C324-N326 PolarHBondContact O-N 3.31Å; C324-N326 PolarHBondContact SG-N 3.28Å; N326-C328 PolarHBondContact O-N 3Å
327S90.8Very high88.3Confident13 Ų1334 Ų349%0.09123%0.227CC..  trans47.744.1-171.8-152.20000112.4L63 R70 R93 Q95 C324 W329L63-S327 VanDerWaalsContact CD1-CB 3.48Å; R70-S327 PolarHBondContact NE-OG 3.34Å; R70-S327 VanDerWaalsContact NE-OG 3.15Å; R93-S327 PolarHBondContact NH1-O 3.07Å; R93-S327 PolarHBondContact NH1-OG 2.93Å; R93-S327 VanDerWaalsContact NH1-OG 3.14Å; Q95-S327 PolarHBondContact NE2-O 3.16Å; Q95-S327 VanDerWaalsContact NE2-O 3.15Å; Q95-S327 PolarHBondContact OE1-OG 2.86Å; C324-S327 PolarHBondContact O-N 2.88Å; S327-W329 PolarHBondContact O-N 3.39Å
328C89.4Confident88.4Confident16 Ų1637.4 Ų37.411%0.10824%0.242CC..  trans-43.8126.4-177.954.10000111.4R93 C282 C285 C324 N326R93-C328 VanDerWaalsContact CZ-O 3.27Å; R93-C328 PolarHBondContact NH1-O 3.05Å; R93-C328 PolarHBondContact NH2-O 3.43Å; C282-C328 WeakPolarHBondContact CB-SG 3.23Å; C282-C328 WeakPolarHBondContact SG-CB 3.26Å; C282-C328 CovalentContact SG-SG 2.13Å; C282-C328 PolarHBondContact SG-SG 2.76Å; C285-C328 HydrophobicContact CB-CB 4.04Å; C285-C328 VanDerWaalsContact SG-CB 3.59Å; C324-C328 HydrophobicContact CB-CB 4.31Å; C324-C328 WeakPolarHBondContact CB-SG 3.27Å; C324-C328 PolarHBondContact SG-SG 3.03Å; N326-C328 PolarHBondContact O-N 3Å
329W85.3Confident88.5Confident56 Ų5637.5 Ų37.521%0.21224%0.242CC..  trans-144.5124.2173.4-173.7-100.3000110.2R93 Q95 S327 A331 T333 C335 V337R93-W329 WeakPolarHBondContact O-CZ3 3.11Å; Q95-W329 HydrophobicContact CB-CD2 3.8Å; Q95-W329 HydrophobicContact CB-CE3 4.01Å; Q95-W329 HydrophobicContact CB-CG 4.1Å; Q95-W329 HydrophobicContact CG-CD2 4.5Å; Q95-W329 HydrophobicContact CG-CE3 4.33Å; Q95-W329 VanDerWaalsContact O-CE2 3.24Å; Q95-W329 WeakPolarHBondContact O-CZ2 3.26Å; Q95-W329 PolarHBondContact O-NE1 3.35Å; S327-W329 PolarHBondContact O-N 3.39Å; W329-A331 PolarHBondContact O-N 2.73Å; W329-T333 WeakPolarHBondContact CZ2-O 3.26Å; W329-C335 WeakPolarHBondContact CH2-O 3.49Å; W329-V337 HydrophobicContact CE3-CG2 3.92Å; W329-V337 HydrophobicContact CZ3-CG2 3.89Å
330A75.9Confident88.5Confident47 Ų4739.6 Ų39.639%0.38825%0.251SS..  trans-73.7119.4178.300000108.8G332 T333A330-G332 PolarHBondContact O-N 3.44Å; A330-T333 VanDerWaalsContact CB-OG1 3.27Å; A330-T333 WeakPolarHBondContact CB-OG1 3.47Å; A330-T333 WeakPolarHBondContact O-CB 3.49Å; A330-T333 PolarHBondContact O-N 3.34Å; A330-T333 VanDerWaalsContact O-N 3.1Å
331A65.6Low88.4Confident102 Ų10240 Ų4084%0.84325%0.254SS*.THydrogen-bonded Turntrans-58.8127.4176.100000110W329W329-A331 PolarHBondContact O-N 2.73Å
332G67.1Low88.3Confident76 Ų7641 Ų4178%0.78426%0.259SS*.THydrogen-bonded Turntrans86.2-1.4-178.200000115.4A330A330-G332 PolarHBondContact O-N 3.44Å
333T75.5Confident88.2Confident57 Ų5740.5 Ų40.535%0.3526%0.257SS..  trans-85.1120.1171.1-58.60000109.6W329 A330 C335W329-T333 WeakPolarHBondContact CZ2-O 3.26Å; A330-T333 VanDerWaalsContact CB-OG1 3.27Å; A330-T333 WeakPolarHBondContact CB-OG1 3.47Å; A330-T333 WeakPolarHBondContact O-CB 3.49Å; A330-T333 PolarHBondContact O-N 3.34Å; A330-T333 VanDerWaalsContact O-N 3.1Å; T333-C335 VanDerWaalsContact C-N 3.33Å; T333-C335 HydrophobicContact CG2-CB 3.86Å
334N84.1Confident88Confident85 Ų8540.7 Ų40.746%0.45526%0.258SS..  trans-90.5-0.8174.3-63-8000111.8A38 V39 T40A38-N334 VanDerWaalsContact O-CB 3.31Å; A38-N334 WeakPolarHBondContact O-CB 3.37Å; A38-N334 VanDerWaalsContact O-CG 3.23Å; A38-N334 PolarHBondContact O-OD1 3.33Å; V39-N334 CarbonylContact C-O 3.59Å; V39-N334 VanDerWaalsContact CA-O 3.22Å; V39-N334 WeakPolarHBondContact CA-O 3.37Å; V39-N334 WeakPolarHBondContact CG1-O 3.38Å; T40-N334 PolarHBondContact N-O 3.03Å
335C88.9Confident87.7Confident54 Ų5443.1 Ų43.137%0.36527%0.274SS..SBendtrans-88.3137.8179.2-65.60000111.3W329 T333W329-C335 WeakPolarHBondContact CH2-O 3.49Å; T333-C335 VanDerWaalsContact C-N 3.33Å; T333-C335 HydrophobicContact CG2-CB 3.86Å
336P91.9Very high87.2Confident11 Ų1143.5 Ų43.57%0.07127%0.274CS..PPolyproline II helixtrans-61.7152.1169.726.9-34.3000111.8W35 T40 Q42 L92 R93W35-P336 HydrophobicContact CH2-CB 4.34Å; W35-P336 HydrophobicContact CH2-CG 4.1Å; W35-P336 HydrophobicContact CZ3-CB 4.06Å; W35-P336 HydrophobicContact CZ3-CG 4.09Å; T40-P336 WeakPolarHBondContact O-CD 3.13Å; Q42-P336 HydrophobicContact CB-CG 4.22Å; Q42-P336 HydrophobicContact CG-CG 3.84Å; L92-P336 HydrophobicContact CB-CB 4.02Å; L92-P336 HydrophobicContact CB-CG 4.43Å; L92-P336 HydrophobicContact CD1-CG 4.11Å; R93-P336 CarbonylContact O-C 3.48Å; R93-P336 VanDerWaalsContact O-CA 3.26Å; R93-P336 WeakPolarHBondContact O-CA 3.18Å; R93-P336 WeakPolarHBondContact O-CB 3.43Å
337V93Very high86.4Confident25 Ų2540.4 Ų40.415%0.15226%0.26CS..EExtended strand (participates in β ladder)trans-95.9131.7176.31770000109R93 W329R93-V337 PolarHBondContact N-O 3.5Å; R93-V337 PolarHBondContact O-N 3.05Å; W329-V337 HydrophobicContact CE3-CG2 3.92Å; W329-V337 HydrophobicContact CZ3-CG2 3.89Å
338E94.3Very high85.4Confident73 Ų7343.3 Ų43.334%0.34127%0.274SS..EExtended strand (participates in β ladder)trans-75.9127.4175-156.9-165.5136.100111.7R47 T90 A91 L92 R289R47-E338 IonicContact CZ-OE1 2.67Å; R47-E338 IonicContact CZ-OE2 3.84Å; R47-E338 IonicContact NH1-OE1 3.31Å; R47-E338 PolarHBondContact NH1-OE1 3.17Å; R47-E338 IonicContact NH2-OE1 3.99Å; R47-E338 PolarHBondContact NH2-OE1 3.02Å; R47-E338 IonicContact NH2-OE2 3.76Å; R47-E338 PolarHBondContact NH2-OE2 3.03Å; T90-E338 HydrophobicContact CG2-CG 3.81Å; A91-E338 WeakPolarHBondContact O-CA 3.32Å; L92-E338 HydrophobicContact CD2-CB 4.21Å; L92-E338 HydrophobicContact CD2-CG 4.13Å; R289-E338 PolarHBondContact NH2-O 3.16Å
339E95.8Very high84.2Confident2 Ų244.8 Ų44.81%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-107163.4177-61.8-61-179.100111.4A91 R93 R289 V321 T323A91-E339 HydrophobicContact CB-CB 4.13Å; A91-E339 PolarHBondContact O-N 3.44Å; R93-E339 HydrophobicContact CB-CG 3.81Å; R93-E339 IonicContact CZ-OE1 3.81Å; R93-E339 IonicContact NE-OE1 2.61Å; R93-E339 PolarHBondContact NE-OE1 3.06Å; R93-E339 IonicContact NH2-OE1 2.87Å; R93-E339 PolarHBondContact NH2-OE1 2.95Å; R289-E339 IonicContact CZ-OE2 3.93Å; R289-E339 IonicContact NE-OE2 2.85Å; R289-E339 PolarHBondContact NE-OE2 2.91Å; R289-E339 VanDerWaalsContact NE-OE2 3.08Å; V321-E339 HydrophobicContact CG1-CB 4.49Å; T323-E339 WeakPolarHBondContact CA-OE2 3.46Å; T323-E339 HydrophobicContact CG2-CB 4.28Å; T323-E339 HydrophobicContact CG2-CG 3.98Å
340F95.8Very high82.8Confident44 Ų4449.5 Ų49.519%0.19330%0.304CS..EExtended strand (participates in β ladder)trans-88.1127.5-171.7179-101.8000111.4V279 P280 Y322 F342V279-F340 HydrophobicContact CB-CD1 4.3Å; V279-F340 HydrophobicContact CB-CE1 4.35Å; V279-F340 HydrophobicContact CG1-CD1 4.06Å; V279-F340 HydrophobicContact CG2-CD1 3.92Å; V279-F340 HydrophobicContact CG2-CE1 3.74Å; P280-F340 VanDerWaalsContact CD-CD2 3.42Å; P280-F340 HydrophobicContact CG-CD2 3.93Å; P280-F340 HydrophobicContact CG-CE2 4.42Å; P280-F340 HydrophobicContact CG-CG 4.47Å; Y322-F340 AromaticContact CD2-CD1 3.83Å; Y322-F340 HydrophobicContact CD2-CD1 3.83Å; Y322-F340 HydrophobicContact CD2-CE1 4.37Å; Y322-F340 HydrophobicContact CG-CD1 4.27Å; Y322-F340 PolarHBondContact N-O 2.77Å; Y322-F340 PolarHBondContact O-N 3.22Å; Y322-F340 VanDerWaalsContact O-N 3.1Å; F340-F342 HydrophobicContact CE1-CB 3.98Å
341C95.8Very high81.9Confident8 Ų852.4 Ų52.45%0.05431%0.313CS..EExtended strand (participates in β ladder)trans-106.3134.3173-65.80000110.7W89 A91 V319 L320W89-C341 HydrophobicContact CB-CB 4.04Å; A91-C341 WeakPolarHBondContact CB-SG 3.43Å; A91-C341 PolarHBondContact N-SG 2.84Å; V319-C341 HydrophobicContact CG1-CB 4.46Å; L320-C341 WeakPolarHBondContact O-CA 3.4Å
342F94.9Very high81.2Confident22 Ų2255.9 Ų55.910%0.09631%0.309CS..EExtended strand (participates in β ladder)trans-120.5125.7167.7-179.8-89.9000109.7F267 P272 M275 L320 Y322 F340 Q344F267-F342 HydrophobicContact CE1-CE1 4.49Å; P272-F342 HydrophobicContact CG-CE2 3.87Å; P272-F342 HydrophobicContact CG-CZ 3.65Å; M275-F342 HydrophobicContact CE-CB 3.99Å; M275-F342 HydrophobicContact CE-CD1 3.53Å; M275-F342 HydrophobicContact CE-CD2 3.82Å; M275-F342 HydrophobicContact CE-CE1 3.83Å; M275-F342 HydrophobicContact CE-CE2 4.12Å; M275-F342 HydrophobicContact CE-CG 3.49Å; M275-F342 VanDerWaalsContact CE-CG 3.49Å; M275-F342 HydrophobicContact CE-CZ 4.13Å; M275-F342 HydrophobicContact SD-CD2 4.27Å; M275-F342 HydrophobicContact SD-CE1 4.37Å; M275-F342 HydrophobicContact SD-CE2 4.09Å; M275-F342 HydrophobicContact SD-CG 4.49Å; M275-F342 HydrophobicContact SD-CZ 4.14Å; L320-F342 HydrophobicContact CB-CB 4.38Å; L320-F342 HydrophobicContact CD1-CD1 3.99Å; L320-F342 PolarHBondContact N-O 2.71Å; L320-F342 PolarHBondContact O-N 2.7Å; Y322-F342 HydrophobicContact CE2-CB 4.28Å; F340-F342 HydrophobicContact CE1-CB 3.98Å; F342-Q344 HydrophobicContact CD1-CG 4.27Å; F342-Q344 HydrophobicContact CE1-CG 3.6Å
343V94Very high80.1Confident8 Ų863.6 Ų63.65%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-112130.1-175.5-177.40000109.3S86 W89 F316 T318 V319S86-V343 PolarHBondContact OG-N 3.05Å; W89-V343 HydrophobicContact CB-CG2 4.21Å; W89-V343 VanDerWaalsContact CD1-CG2 3.45Å; W89-V343 HydrophobicContact CD2-CG2 4.28Å; W89-V343 HydrophobicContact CG-CG2 3.72Å; F316-V343 HydrophobicContact CB-CG1 4.31Å; T318-V343 WeakPolarHBondContact O-CA 3.25Å; V319-V343 HydrophobicContact CG1-CG2 4.15Å; V319-V343 HydrophobicContact CG2-CG1 4.43Å; V319-V343 HydrophobicContact CG2-CG2 4.17Å
344Q91.8Very high80.4Confident5 Ų564 Ų642%0.02332%0.32CS..EExtended strand (participates in β ladder)trans-98.9122161.2-62.5-171.9-5000107.7C269 G317 T318 F342C269-Q344 PolarHBondContact O-NE2 3.19Å; C269-Q344 VanDerWaalsContact SG-CD 3.53Å; C269-Q344 PolarHBondContact SG-NE2 3.47Å; G317-Q344 VanDerWaalsContact CA-O 3.29Å; G317-Q344 WeakPolarHBondContact CA-O 3.47Å; G317-Q344 PolarHBondContact N-O 3.43Å; T318-Q344 HydrophobicContact CG2-CB 3.99Å; T318-Q344 HydrophobicContact CG2-CG 4.26Å; T318-Q344 PolarHBondContact N-O 3.06Å; T318-Q344 PolarHBondContact O-N 2.78Å; F342-Q344 HydrophobicContact CD1-CG 4.27Å; F342-Q344 HydrophobicContact CE1-CG 3.6Å
345P88.2Confident80.2Confident51 Ų5162.8 Ų62.833%0.33131%0.313SS..PPolyproline II helixtrans-63.2164.8175.228.7-34.8000109.9Q349P345-Q349 VanDerWaalsContact CB-OE1 3.32Å
346D81.4Confident79.7Confident53 Ų5363.3 Ų63.328%0.28331%0.31SS..PPolyproline II helixtrans-58.3126.6171.4-170.8-37.2000108.9D348 Q349D346-D348 PolarHBondContact O-N 3.12Å; D346-D348 VanDerWaalsContact O-N 3.16Å; D346-D348 WeakPolarHBondContact OD1-CB 3.28Å; D346-D348 PolarHBondContact OD1-N 3.44Å; D346-Q349 HydrophobicContact CB-CG 4.03Å; D346-Q349 WeakPolarHBondContact O-CB 3.47Å; D346-Q349 PolarHBondContact O-N 3.44Å; D346-Q349 VanDerWaalsContact O-N 3.09Å
347P74.6Confident79Confident41 Ų4166.4 Ų66.427%0.26632%0.324SS..G310 helixtrans-55.8-28.3177.620.2-30.6000113.3I268I268-P347 HydrophobicContact CG2-CG 3.93Å
348D69.8Low78.1Confident73 Ų7369 Ų6939%0.3934%0.335SS..G310 helixtrans-79.8-15.1-179.3-65.7-21.6000112.8D346 Q350 L351 F352D346-D348 PolarHBondContact O-N 3.12Å; D346-D348 VanDerWaalsContact O-N 3.16Å; D346-D348 WeakPolarHBondContact OD1-CB 3.28Å; D346-D348 PolarHBondContact OD1-N 3.44Å; D348-Q350 PolarHBondContact O-N 3.08Å; D348-L351 HydrophobicContact CB-CD1 4.41Å; D348-L351 WeakPolarHBondContact O-CB 3.25Å; D348-L351 PolarHBondContact O-N 2.93Å; D348-F352 HydrophobicContact CB-CE2 4.08Å; D348-F352 WeakPolarHBondContact O-CD2 3.1Å
349Q63.8Low77Confident47 Ų4768.7 Ų68.722%0.2233%0.334CS..G310 helixtrans-58.2-21.1175.2-87.9177.5-3.400113.5E315 P345 D346 L351E315-Q349 PolarHBondContact OE2-NE2 3.15Å; P345-Q349 VanDerWaalsContact CB-OE1 3.32Å; D346-Q349 HydrophobicContact CB-CG 4.03Å; D346-Q349 WeakPolarHBondContact O-CB 3.47Å; D346-Q349 PolarHBondContact O-N 3.44Å; D346-Q349 VanDerWaalsContact O-N 3.09Å; Q349-L351 VanDerWaalsContact C-N 3.31Å
350Q56.7Low75.7Confident156 Ų15673.5 Ų73.573%0.72936%0.357SS*.G310 helixtrans-77.7-18.6175.6-60.4-172.911.300113.1D348D348-Q350 PolarHBondContact O-N 3.08Å
351L56.3Low74.1Confident108 Ų10875.8 Ų75.857%0.56537%0.37SS*.THydrogen-bonded Turntrans-85.1-20.5-178.7-59.6174.9000112.5D348 Q349D348-L351 HydrophobicContact CB-CD1 4.41Å; D348-L351 WeakPolarHBondContact O-CB 3.25Å; D348-L351 PolarHBondContact O-N 2.93Å; Q349-L351 VanDerWaalsContact C-N 3.31Å
352F52.6Low72.3Confident174 Ų17481.4 Ų81.476%0.76340%0.396SS*.  trans-105.514.2-176.3-59.1-71.4000114.2D348D348-F352 HydrophobicContact CB-CE2 4.08Å; D348-F352 WeakPolarHBondContact O-CD2 3.1Å
353K43.6Very low70.3Confident239 Ų23986.8 Ų86.8100%1.03942%0.424SS*.  trans-86.90177.3-82.8-176-178.8-179.20114.2

Retrieved 353 of 353 residues in 273.6 ms (Link to these results)

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