A0A087XQL5_POEFO Loading...

EKC/KEOPS complex subunit TPRKB

AlphaFold DB , UniProt , Accession A0A087XQL5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1V43.7Very low40.8Very low139 Ų139128.1 Ų128.184%0.84264%0.643SS**  0-51.20-168.70000111.1S4 L5V1-S4 VanDerWaalsContact CA-OG 3.25Å; V1-S4 WeakPolarHBondContact CA-OG 3.36Å; V1-S4 PolarHBondContact N-OG 2.68Å; V1-S4 PolarHBondContact O-N 2.78Å; V1-S4 PolarHBondContact O-OG 2.82Å; V1-L5 HydrophobicContact CG1-CD1 4Å; V1-L5 WeakPolarHBondContact O-CG 3.43Å; V1-L5 PolarHBondContact O-N 2.98Å
2L38Very low41.3Very low129 Ų129135.8 Ų135.868%0.67566%0.659SS**Hα-helixtrans-62.9-45.3170.8-74.4163.4000112.6S4 L5 F6L2-S4 PolarHBondContact O-N 2.88Å; L2-L5 PolarHBondContact O-N 2.81Å; L2-F6 HydrophobicContact CD2-CE2 4.35Å; L2-F6 WeakPolarHBondContact O-CD2 3.31Å; L2-F6 PolarHBondContact O-N 3.48Å
3H41.6Very low41.9Very low98 Ų98134.9 Ų134.945%0.45466%0.659SS.*Hα-helixtrans-58-33174-170.4-109.1000112.8Y7H3-Y7 WeakPolarHBondContact O-CB 3.02Å; H3-Y7 PolarHBondContact O-N 2.64Å
4S36.8Very low43.6Very low58 Ų58136.7 Ų136.741%0.40666%0.662SS.*Hα-helixtrans-85.3-22.7-179.318.50000114.2V1 L2V1-S4 VanDerWaalsContact CA-OG 3.25Å; V1-S4 WeakPolarHBondContact CA-OG 3.36Å; V1-S4 PolarHBondContact N-OG 2.68Å; V1-S4 PolarHBondContact O-N 2.78Å; V1-S4 PolarHBondContact O-OG 2.82Å; L2-S4 PolarHBondContact O-N 2.88Å
5L39.2Very low46.4Very low134 Ų134131.6 Ų131.670%0.70265%0.646SS**Hα-helixtrans-81.6-28.8176.4-75.3163.2000112.2V1 L2V1-L5 HydrophobicContact CG1-CD1 4Å; V1-L5 WeakPolarHBondContact O-CG 3.43Å; V1-L5 PolarHBondContact O-N 2.98Å; L2-L5 PolarHBondContact O-N 2.81Å
6F45.6Very low49.4Very low89 Ų89129.1 Ų129.139%0.3963%0.634SS.*SBendtrans-86.2-12.8173-75.7-73.1000114.3L2 E23 F67L2-F6 HydrophobicContact CD2-CE2 4.35Å; L2-F6 WeakPolarHBondContact O-CD2 3.31Å; L2-F6 PolarHBondContact O-N 3.48Å; F6-E23 HydrophobicContact CE1-CG 4.41Å; F6-E23 WeakPolarHBondContact CE1-OE1 3.44Å; F6-F67 HydrophobicContact CD2-CE2 4.49Å
7Y43.4Very low52Low134 Ų134125.8 Ų125.853%0.52562%0.615SS.*SBendtrans-116.97.4-166.5-157.6-97.7000114.9H3 D9H3-Y7 WeakPolarHBondContact O-CB 3.02Å; H3-Y7 PolarHBondContact O-N 2.64Å; Y7-D9 PolarHBondContact O-N 2.82Å
8N34.9Very low54.4Low144 Ų144121.9 Ų121.977%0.7760%0.597SS**SBendtrans-99.449.4178.5-91.3-7.5000112.8
9D41.5Very low56.5Low150 Ų150118.4 Ų118.480%0.80258%0.584SS**SBendtrans-165.172.5147.6-153.8-2000111.9Y7Y7-D9 PolarHBondContact O-N 2.82Å
10T40.7Very low58.5Low104 Ų104116.1 Ų116.164%0.63857%0.571SS**  trans-160.1113.8153.4-5.70000110.3R12T10-R12 PolarHBondContact O-N 3.44Å
11R43.5Very low60.3Low230 Ų230114 Ų11487%0.86857%0.565SS**  trans-41.5130.3147.4-67.8-179.7-120.7-162.1-1.7106.9N13R11-N13 PolarHBondContact O-N 3.44Å
12R46.8Very low62.6Low221 Ų221107.4 Ų107.483%0.83453%0.525SS*.  trans-53.782.3177.2-70.6-176.7-162.1164.45.1110.4T10T10-R12 PolarHBondContact O-N 3.44Å
13N49.3Very low65.1Low124 Ų124108 Ų10866%0.66352%0.524SS*.  trans-85.8118.2173.1-107.2-5.4000104.9R11 S15R11-N13 PolarHBondContact O-N 3.44Å; N13-S15 PolarHBondContact O-N 3.46Å
14K65.7Low67.5Low160 Ų160110 Ų11070%0.69654%0.538SS*.  trans-6573.7171.9-67.6178.1179.3179.30109.1P147K14-P147 HydrophobicContact CB-CB 4.09Å; K14-P147 HydrophobicContact CB-CG 3.92Å
15S85.8Confident70.2Confident60 Ų60109.6 Ų109.642%0.4253%0.528SS..  trans-84.8126.9-177.2-167.30000109.9N13 K17 P147 V148N13-S15 PolarHBondContact O-N 3.46Å; S15-K17 VanDerWaalsContact CB-O 3.27Å; S15-K17 WeakPolarHBondContact CB-O 3.36Å; S15-K17 PolarHBondContact O-N 2.94Å; S15-K17 PolarHBondContact OG-O 3.24Å; S15-P147 VanDerWaalsContact O-CA 3.3Å; S15-P147 WeakPolarHBondContact O-CA 3.2Å; S15-V148 PolarHBondContact O-N 3.26Å; S15-V148 VanDerWaalsContact O-N 3.11Å
16M93.4Very high72.8Confident92 Ų92107.5 Ų107.545%0.45352%0.522SS..SBendtrans-64.9-18.5175.4-65.3-61.8-17900112.7Q145 L146 P147M16-Q145 HydrophobicContact CB-CG 4.29Å; M16-Q145 PolarHBondContact O-NE2 3.16Å; M16-Q145 HydrophobicContact SD-CG 4.26Å; M16-L146 VanDerWaalsContact SD-C 3.54Å; M16-P147 HydrophobicContact CE-CG 4.22Å; M16-P147 HydrophobicContact SD-CG 4.03Å
17K93.9Very high75.1Confident72 Ų72107.4 Ų107.431%0.31353%0.526SS..EExtended strand (participates in β ladder)trans-133.8138.6176.7-52.2-171174.4-179.90109.5S15 T31 Q32 M33 V134S15-K17 VanDerWaalsContact CB-O 3.27Å; S15-K17 WeakPolarHBondContact CB-O 3.36Å; S15-K17 PolarHBondContact O-N 2.94Å; S15-K17 PolarHBondContact OG-O 3.24Å; K17-T31 HydrophobicContact CB-CG2 4.41Å; K17-Q32 WeakPolarHBondContact CA-O 3.07Å; K17-M33 HydrophobicContact CB-CG 4.4Å; K17-M33 HydrophobicContact CD-CG 4.32Å; K17-M33 HydrophobicContact CD-SD 3.98Å; K17-M33 HydrophobicContact CG-CG 3.96Å; K17-M33 HydrophobicContact CG-SD 4.22Å; K17-V134 HydrophobicContact CD-CG1 4.08Å
18L95.2Very high77.6Confident57 Ų57101.5 Ų101.530%0.29850%0.503SS..EExtended strand (participates in β ladder)trans-114.4107.9172.5176.464.4000108.2Q20 T31 Q32 P66 V148L18-Q20 HydrophobicContact CD1-CG 4.4Å; L18-Q20 HydrophobicContact CG-CG 4.48Å; L18-T31 CarbonylContact O-C 3.56Å; L18-T31 WeakPolarHBondContact O-CA 3.28Å; L18-Q32 HydrophobicContact CB-CB 4.36Å; L18-Q32 PolarHBondContact N-O 2.97Å; L18-Q32 PolarHBondContact O-N 2.66Å; L18-P66 HydrophobicContact CD2-CB 3.71Å; L18-V148 HydrophobicContact CB-CB 4.03Å; L18-V148 HydrophobicContact CB-CG1 3.99Å; L18-V148 HydrophobicContact CB-CG2 4.03Å; L18-V148 HydrophobicContact CD2-CG1 4.25Å
19T95.1Very high80.5Confident55 Ų5598.1 Ų98.134%0.33748%0.48SS..EExtended strand (participates in β ladder)trans-111.2125.7179.1-60.30000109.5R29 V30 T31T19-R29 HydrophobicContact CG2-CB 4.11Å; T19-R29 HydrophobicContact CG2-CG 4.49Å; T19-V30 CarbonylContact C-O 3.59Å; T19-V30 VanDerWaalsContact CA-O 3.3Å; T19-V30 WeakPolarHBondContact CA-O 3.36Å; T19-T31 WeakPolarHBondContact CG2-OG1 3.36Å; T19-T31 WeakPolarHBondContact OG1-CG2 3.34Å; T19-T31 PolarHBondContact OG1-OG1 2.74Å
20Q95.4Very high83.1Confident72 Ų7291 Ų9134%0.33644%0.442SS..EExtended strand (participates in β ladder)trans-128.1133.9178.6-67.3-74.36900110L18 R29 V30 L70L18-Q20 HydrophobicContact CD1-CG 4.4Å; L18-Q20 HydrophobicContact CG-CG 4.48Å; Q20-R29 CarbonylContact O-C 3.59Å; Q20-R29 WeakPolarHBondContact O-CA 3.26Å; Q20-V30 PolarHBondContact N-O 2.94Å; Q20-V30 PolarHBondContact O-N 2.54Å; Q20-L70 HydrophobicContact CB-CD1 3.92Å; Q20-L70 HydrophobicContact CB-CD2 4.19Å; Q20-L70 HydrophobicContact CG-CD1 4.44Å; Q20-L70 HydrophobicContact CG-CD2 4Å
21T96.2Very high85.8Confident71 Ų7186.1 Ų86.144%0.43641%0.412SS..EExtended strand (participates in β ladder)trans-74.9138.7169.6-57.40000109.3E23 P26T21-E23 PolarHBondContact O-N 3.04Å; T21-P26 WeakPolarHBondContact CG2-O 3.3Å
22L93.5Very high88.4Confident1 Ų175.2 Ų75.21%0.00537%0.371CS..EExtended strand (participates in β ladder)trans-78120.4173.3-58.6-167.4000109.5L24 Y25 T28 V30 L70 N74 F77L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 3.14Å; L22-Y25 HydrophobicContact CB-CD2 4.22Å; L22-Y25 HydrophobicContact CD1-CD2 4.24Å; L22-Y25 CarbonylContact O-C 3.01Å; L22-Y25 WeakPolarHBondContact O-CA 3.4Å; L22-Y25 PolarHBondContact O-N 3.3Å; L22-T28 HydrophobicContact CD1-CG2 3.89Å; L22-T28 HydrophobicContact CG-CG2 4.29Å; L22-T28 PolarHBondContact N-O 3.5Å; L22-V30 HydrophobicContact CD1-CG2 4.27Å; L22-V30 HydrophobicContact CD2-CB 4.43Å; L22-V30 HydrophobicContact CD2-CG2 3.44Å; L22-V30 VanDerWaalsContact CD2-CG2 3.44Å; L22-V30 HydrophobicContact CG-CG2 4.04Å; L22-L70 HydrophobicContact CD2-CD1 4.36Å; L22-N74 WeakPolarHBondContact CD2-ND2 3.49Å; L22-N74 VanDerWaalsContact CD2-OD1 3.27Å; L22-N74 WeakPolarHBondContact CD2-OD1 3.32Å; L22-F77 HydrophobicContact CD1-CB 3.9Å; L22-F77 HydrophobicContact CD1-CD1 3.61Å; L22-F77 HydrophobicContact CD1-CE1 4.38Å; L22-F77 HydrophobicContact CD1-CG 3.85Å
23E90Very high90.8Very high142 Ų14264.7 Ų64.766%0.66433%0.331SS*.THydrogen-bonded Turntrans-58.4-39.2-173.8-67.4-175.5162.400113.2F6 T21 Y25F6-E23 HydrophobicContact CE1-CG 4.41Å; F6-E23 WeakPolarHBondContact CE1-OE1 3.44Å; T21-E23 PolarHBondContact O-N 3.04Å; E23-Y25 VanDerWaalsContact C-N 3.28Å; E23-Y25 PolarHBondContact O-N 3.14Å
24L91.8Very high93.2Very high140 Ų14058.8 Ų58.873%0.73330%0.299SS*.THydrogen-bonded Turntrans-79.3-10.3177.8-61.3179.6000113.3L22L22-L24 VanDerWaalsContact C-N 3.28Å; L22-L24 PolarHBondContact O-N 3.14Å
25Y94.3Very high94.7Very high50 Ų5051.3 Ų51.320%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-13975.7-177.2-52.2-82.9000109.8L22 E23 D27 T28 F77 H78 S81L22-Y25 HydrophobicContact CB-CD2 4.22Å; L22-Y25 HydrophobicContact CD1-CD2 4.24Å; L22-Y25 CarbonylContact O-C 3.01Å; L22-Y25 WeakPolarHBondContact O-CA 3.4Å; L22-Y25 PolarHBondContact O-N 3.3Å; E23-Y25 VanDerWaalsContact C-N 3.28Å; E23-Y25 PolarHBondContact O-N 3.14Å; Y25-D27 PolarHBondContact O-N 2.94Å; Y25-D27 VanDerWaalsContact O-N 3.08Å; Y25-T28 WeakPolarHBondContact O-CB 3.35Å; Y25-T28 PolarHBondContact O-N 3.14Å; Y25-F77 HydrophobicContact CD1-CD1 4.23Å; Y25-F77 AromaticContact CD1-CE1 3.65Å; Y25-F77 HydrophobicContact CD1-CE1 3.65Å; Y25-F77 AromaticContact CD2-CD1 3.6Å; Y25-F77 HydrophobicContact CD2-CD1 3.6Å; Y25-F77 AromaticContact CD2-CE1 3.8Å; Y25-F77 HydrophobicContact CD2-CE1 3.8Å; Y25-F77 HydrophobicContact CE1-CD1 4.46Å; Y25-F77 HydrophobicContact CE1-CE1 4.13Å; Y25-F77 AromaticContact CE2-CD1 3.89Å; Y25-F77 HydrophobicContact CE2-CD1 3.89Å; Y25-F77 HydrophobicContact CE2-CE1 4.29Å; Y25-F77 AromaticContact CG-CD1 3.79Å; Y25-F77 HydrophobicContact CG-CD1 3.79Å; Y25-F77 AromaticContact CG-CE1 3.45Å; Y25-F77 HydrophobicContact CG-CE1 3.45Å; Y25-F77 VanDerWaalsContact CG-CE1 3.45Å; Y25-H78 HydrophobicContact CE2-CB 4.36Å; Y25-H78 AromaticContact CZ-ND1 3.96Å; Y25-H78 WeakPolarHBondContact OH-CA 3.09Å; Y25-H78 PolarHBondContact OH-ND1 3.14Å; Y25-S81 PolarHBondContact OH-OG 3.2Å
26P92.6Very high95.3Very high89 Ų8951.8 Ų51.858%0.57826%0.261SS*.EExtended strand (participates in β ladder)trans-61.3-22.9-168.2-26.235.7000115.6T21 T28T21-P26 WeakPolarHBondContact CG2-O 3.3Å; P26-T28 VanDerWaalsContact C-N 3.32Å
27D94.3Very high95.5Very high88 Ų8850.6 Ų50.647%0.47126%0.262SS..EExtended strand (participates in β ladder)trans-83.6-10.1176.7-66.7-54.9000113.1Y25 D127 K128Y25-D27 PolarHBondContact O-N 2.94Å; Y25-D27 VanDerWaalsContact O-N 3.08Å; D27-D127 CarbonylContact O-C 3.55Å; D27-D127 WeakPolarHBondContact O-CA 3.03Å; D27-K128 PolarHBondContact O-N 2.85Å; D27-K128 IonicContact OD1-NZ 2.97Å; D27-K128 PolarHBondContact OD1-NZ 3.5Å
28T95.2Very high95.7Very high10 Ų1047.8 Ų47.86%0.06125%0.251CS..EExtended strand (participates in β ladder)trans-104.6136.1-177-54.90000111.1L22 Y25 P26 F77 V125L22-T28 HydrophobicContact CD1-CG2 3.89Å; L22-T28 HydrophobicContact CG-CG2 4.29Å; L22-T28 PolarHBondContact N-O 3.5Å; Y25-T28 WeakPolarHBondContact O-CB 3.35Å; Y25-T28 PolarHBondContact O-N 3.14Å; P26-T28 VanDerWaalsContact C-N 3.32Å; T28-F77 HydrophobicContact CG2-CD1 4.22Å; T28-F77 HydrophobicContact CG2-CD2 4.12Å; T28-F77 HydrophobicContact CG2-CE1 3.87Å; T28-F77 HydrophobicContact CG2-CE2 3.75Å; T28-F77 HydrophobicContact CG2-CG 4.32Å; T28-F77 HydrophobicContact CG2-CZ 3.61Å; T28-F77 VanDerWaalsContact OG1-CZ 3.24Å; T28-F77 WeakPolarHBondContact OG1-CZ 3.36Å; T28-V125 HydrophobicContact CG2-CG1 3.48Å; T28-V125 VanDerWaalsContact CG2-CG1 3.48Å
29R95.8Very high95.9Very high72 Ų7252.9 Ų52.927%0.27227%0.271SS..EExtended strand (participates in β ladder)trans-124.1151.1176.9-62.3-170.6177.2127.76.4111.4T19 Q20 V125 H126 K128T19-R29 HydrophobicContact CG2-CB 4.11Å; T19-R29 HydrophobicContact CG2-CG 4.49Å; Q20-R29 CarbonylContact O-C 3.59Å; Q20-R29 WeakPolarHBondContact O-CA 3.26Å; R29-V125 WeakPolarHBondContact O-CA 3.36Å; R29-H126 PolarHBondContact N-O 2.74Å; R29-H126 PolarHBondContact O-N 3.11Å; R29-K128 VanDerWaalsContact NH1-CB 3.29Å; R29-K128 PolarHBondContact NH1-O 3.35Å
30V97.2Very high96Very high1 Ų151.2 Ų51.21%0.00626%0.26CS..EExtended strand (participates in β ladder)trans-113.9119.1170.8-179.70000108T19 Q20 L22 Q32 L70 A73 V123 I124 V125T19-V30 CarbonylContact C-O 3.59Å; T19-V30 VanDerWaalsContact CA-O 3.3Å; T19-V30 WeakPolarHBondContact CA-O 3.36Å; Q20-V30 PolarHBondContact N-O 2.94Å; Q20-V30 PolarHBondContact O-N 2.54Å; L22-V30 HydrophobicContact CD1-CG2 4.27Å; L22-V30 HydrophobicContact CD2-CB 4.43Å; L22-V30 HydrophobicContact CD2-CG2 3.44Å; L22-V30 VanDerWaalsContact CD2-CG2 3.44Å; L22-V30 HydrophobicContact CG-CG2 4.04Å; V30-Q32 HydrophobicContact CG1-CG 4.46Å; V30-L70 HydrophobicContact CB-CD1 4.09Å; V30-L70 HydrophobicContact CG1-CD1 4.33Å; V30-L70 HydrophobicContact CG2-CD1 4.37Å; V30-A73 HydrophobicContact CG1-CB 3.83Å; V30-A73 HydrophobicContact CG2-CB 3.93Å; V30-V123 HydrophobicContact CG1-CG1 3.76Å; V30-I124 CarbonylContact C-O 3.6Å; V30-I124 WeakPolarHBondContact CA-O 3.46Å; V30-V125 HydrophobicContact CG2-CG2 4.24Å
31T97Very high96.1Very high1 Ų148 Ų481%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-111.2127175.4-63.80000110.4K17 L18 T19 M33 V123 I124 H126 V134K17-T31 HydrophobicContact CB-CG2 4.41Å; L18-T31 CarbonylContact O-C 3.56Å; L18-T31 WeakPolarHBondContact O-CA 3.28Å; T19-T31 WeakPolarHBondContact CG2-OG1 3.36Å; T19-T31 WeakPolarHBondContact OG1-CG2 3.34Å; T19-T31 PolarHBondContact OG1-OG1 2.74Å; T31-M33 HydrophobicContact CG2-CG 4.27Å; T31-V123 WeakPolarHBondContact O-CA 3.42Å; T31-I124 PolarHBondContact N-O 3.27Å; T31-I124 PolarHBondContact O-N 3.03Å; T31-H126 PolarHBondContact OG1-NE2 2.9Å; T31-V134 HydrophobicContact CG2-CG1 3.76Å; T31-V134 HydrophobicContact CG2-CG2 4.23Å
32Q97.9Very high96.2Very high1 Ų146.7 Ų46.71%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-110.8139.8177.1-51-176.247.400110.5K17 L18 V30 P66 L121 V122 V123 V148K17-Q32 WeakPolarHBondContact CA-O 3.07Å; L18-Q32 HydrophobicContact CB-CB 4.36Å; L18-Q32 PolarHBondContact N-O 2.97Å; L18-Q32 PolarHBondContact O-N 2.66Å; V30-Q32 HydrophobicContact CG1-CG 4.46Å; Q32-P66 PolarHBondContact NE2-O 2.68Å; Q32-P66 VanDerWaalsContact NE2-O 3.07Å; Q32-P66 PolarHBondContact OE1-O 3.12Å; Q32-L121 HydrophobicContact CB-CD1 4.36Å; Q32-V122 CarbonylContact C-O 3.53Å; Q32-V122 WeakPolarHBondContact CA-O 3.36Å; Q32-V123 HydrophobicContact CG-CG2 4.35Å; Q32-V148 HydrophobicContact CB-CG1 4.07Å; Q32-V148 WeakPolarHBondContact O-CG2 3.4Å
33M97.8Very high96.4Very high0 Ų050.8 Ų50.80%026%0.261CS..EExtended strand (participates in β ladder)trans-141.1126.7179-57.7179-68.300110.1K17 T31 F35 L121 V122 I124 V134 T138K17-M33 HydrophobicContact CB-CG 4.4Å; K17-M33 HydrophobicContact CD-CG 4.32Å; K17-M33 HydrophobicContact CD-SD 3.98Å; K17-M33 HydrophobicContact CG-CG 3.96Å; K17-M33 HydrophobicContact CG-SD 4.22Å; T31-M33 HydrophobicContact CG2-CG 4.27Å; M33-F35 HydrophobicContact CB-CE2 3.63Å; M33-F35 HydrophobicContact CB-CZ 4.15Å; M33-L121 WeakPolarHBondContact O-CA 3.38Å; M33-V122 HydrophobicContact CB-CB 4.45Å; M33-V122 HydrophobicContact CE-CB 4.18Å; M33-V122 HydrophobicContact CE-CG1 3.93Å; M33-V122 PolarHBondContact N-O 3.32Å; M33-V122 PolarHBondContact O-N 2.82Å; M33-I124 HydrophobicContact CE-CD1 3.62Å; M33-V134 HydrophobicContact CE-CG1 3.89Å; M33-V134 HydrophobicContact SD-CG1 3.49Å; M33-V134 WeakPolarHBondContact SD-CG1 3.36Å; M33-T138 PolarHBondContact SD-OG1 2.69Å
34L98.4Very high96.8Very high0 Ų044 Ų440%023%0.23CC..EExtended strand (participates in β ladder)trans-104.8135.1-176-176.364.6000110.9P60 L121 Q145 L146 Q150 V151 L154L34-P60 HydrophobicContact CD1-CB 3.83Å; L34-P60 HydrophobicContact CD1-CG 4.2Å; L34-L121 HydrophobicContact CB-CD1 3.95Å; L34-L121 HydrophobicContact CD1-CB 4.22Å; L34-L121 HydrophobicContact CD1-CD1 4Å; L34-Q145 CarbonylContact O-C 3.58Å; L34-Q145 WeakPolarHBondContact O-CA 3.42Å; L34-L146 HydrophobicContact CB-CB 4.36Å; L34-L146 HydrophobicContact CD2-CB 4.03Å; L34-L146 HydrophobicContact CD2-CD1 4.1Å; L34-L146 HydrophobicContact CG-CB 4.16Å; L34-L146 HydrophobicContact CG-CD1 4.38Å; L34-L146 PolarHBondContact O-N 3.36Å; L34-Q150 HydrophobicContact CD2-CB 4.5Å; L34-V151 HydrophobicContact CD2-CB 4.2Å; L34-L154 HydrophobicContact CD1-CD1 3.94Å; L34-L154 HydrophobicContact CD2-CD1 4.12Å; L34-L154 HydrophobicContact CG-CD1 4.27Å
35F98.4Very high97Very high4 Ų442.7 Ų42.72%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-131.7145.8176.5-56.7-98.8000110.9M33 V38 S119 V120 V122 T138 V141 Q144 Q145M33-F35 HydrophobicContact CB-CE2 3.63Å; M33-F35 HydrophobicContact CB-CZ 4.15Å; F35-V38 HydrophobicContact CB-CG2 3.87Å; F35-S119 CarbonylContact O-C 3.6Å; F35-S119 WeakPolarHBondContact O-CA 3.43Å; F35-S119 WeakPolarHBondContact O-CB 3.25Å; F35-V120 HydrophobicContact CB-CG1 4.03Å; F35-V120 HydrophobicContact CD2-CG1 4.11Å; F35-V120 HydrophobicContact CG-CG1 4.45Å; F35-V120 PolarHBondContact N-O 2.85Å; F35-V120 PolarHBondContact O-N 3.36Å; F35-V122 HydrophobicContact CD2-CG2 4.19Å; F35-V122 HydrophobicContact CE2-CG2 3.96Å; F35-T138 HydrophobicContact CE1-CG2 4.4Å; F35-T138 HydrophobicContact CZ-CG2 4.14Å; F35-V141 HydrophobicContact CB-CG1 3.96Å; F35-V141 HydrophobicContact CD1-CB 4.1Å; F35-V141 HydrophobicContact CD1-CG1 3.68Å; F35-V141 HydrophobicContact CD2-CG1 4.15Å; F35-V141 HydrophobicContact CD2-CG2 4.4Å; F35-V141 HydrophobicContact CE1-CB 4.06Å; F35-V141 HydrophobicContact CE1-CG1 4.17Å; F35-V141 HydrophobicContact CE2-CG2 4.2Å; F35-V141 HydrophobicContact CG-CB 4.37Å; F35-V141 HydrophobicContact CG-CG1 3.68Å; F35-V141 HydrophobicContact CZ-CB 4.31Å; F35-V141 HydrophobicContact CZ-CG2 4.27Å; F35-Q144 CarbonylContact C-O 3.6Å; F35-Q144 VanDerWaalsContact CA-O 3.31Å; F35-Q144 WeakPolarHBondContact CA-O 3.47Å; F35-Q145 HydrophobicContact CD1-CB 3.87Å; F35-Q145 HydrophobicContact CD1-CG 4.25Å; F35-Q145 HydrophobicContact CE1-CB 3.76Å; F35-Q145 HydrophobicContact CE1-CG 3.93Å; F35-Q145 HydrophobicContact CZ-CG 4.28Å
36K98Very high97.1Very high69 Ų6945.7 Ų45.730%0.323%0.231SC..EExtended strand (participates in β ladder)trans-126.4169.4170.770.5165.5-178-168.70110.9V38 D118 Q144 L146K36-V38 PolarHBondContact O-N 2.61Å; K36-D118 CarbonylContact C-O 3.47Å; K36-D118 VanDerWaalsContact C-O 3.32Å; K36-Q144 VanDerWaalsContact CE-CD 3.41Å; K36-Q144 HydrophobicContact CG-CB 4.08Å; K36-Q144 PolarHBondContact N-O 3.3Å; K36-Q144 PolarHBondContact O-N 3.03Å; K36-L146 HydrophobicContact CB-CD1 3.95Å; K36-L146 HydrophobicContact CB-CG 4.42Å; K36-L146 HydrophobicContact CD-CD1 3.86Å; K36-L146 HydrophobicContact CD-CD2 3.98Å; K36-L146 HydrophobicContact CD-CG 4.2Å; K36-L146 HydrophobicContact CG-CD1 3.81Å; K36-L146 HydrophobicContact CG-CD2 4.08Å; K36-L146 HydrophobicContact CG-CG 3.91Å
37S97.8Very high97.3Very high68 Ų6843.8 Ų43.848%0.47621%0.213SC..SBendtrans52.738.2-178.2-530000112D118S37-D118 CarbonylContact C-O 3.56Å; S37-D118 WeakPolarHBondContact CA-O 3.28Å; S37-D118 PolarHBondContact N-O 3.12Å
38V98.3Very high97.2Very high13 Ų1341.2 Ų41.28%0.07920%0.204CC..  trans-70.7129.5180179.20000109.2F35 K36 A41 L44 D118 V120 V141 D142F35-V38 HydrophobicContact CB-CG2 3.87Å; K36-V38 PolarHBondContact O-N 2.61Å; V38-A41 HydrophobicContact CG1-CB 4.26Å; V38-L44 HydrophobicContact CG1-CD1 4.09Å; V38-D118 PolarHBondContact N-O 3.26Å; V38-V120 HydrophobicContact CG2-CG1 4Å; V38-V141 HydrophobicContact CG1-CG1 4.37Å; V38-V141 HydrophobicContact CG2-CG1 4.19Å; V38-D142 CarbonylContact C-O 3.32Å; V38-D142 VanDerWaalsContact CA-O 3.25Å; V38-D142 WeakPolarHBondContact CA-O 3.49Å
39K98.2Very high97.1Very high164 Ų16446.2 Ų46.271%0.71324%0.235SC*.SBendtrans-105.1-17.7-176.1-60.4178.3-171.1160.60113.6D142K39-D142 HydrophobicContact CB-CB 4.45Å; K39-D142 PolarHBondContact N-O 2.92Å
40N98.2Very high97Very high19 Ų1947.1 Ų47.110%0.10224%0.242CC..  trans-117.632.3-174.672.7-29.2000113.5A42 E43 L44 M140 D142N40-A42 VanDerWaalsContact C-N 3.33Å; N40-A42 PolarHBondContact O-N 3.05Å; N40-E43 HydrophobicContact CB-CB 4.14Å; N40-E43 WeakPolarHBondContact CB-OE2 3.41Å; N40-E43 PolarHBondContact ND2-OE2 3.24Å; N40-E43 WeakPolarHBondContact O-CB 3.43Å; N40-E43 PolarHBondContact O-N 2.64Å; N40-L44 WeakPolarHBondContact O-CG 3.32Å; N40-L44 PolarHBondContact O-N 3.24Å; N40-M140 PolarHBondContact ND2-O 2.82Å; N40-D142 HydrophobicContact CB-CB 4.3Å; N40-D142 PolarHBondContact OD1-N 3.34Å
41A98.1Very high96.7Very high4 Ų450 Ų503%0.03327%0.271CS..Hα-helixtrans-55.6-43-17800000113.6V38 E43 L44 R45 L113 D117V38-A41 HydrophobicContact CG1-CB 4.26Å; A41-E43 VanDerWaalsContact C-N 3.35Å; A41-E43 PolarHBondContact O-N 3.2Å; A41-L44 PolarHBondContact O-N 3.2Å; A41-R45 WeakPolarHBondContact O-CB 3.33Å; A41-R45 PolarHBondContact O-N 2.89Å; A41-L113 HydrophobicContact CB-CD1 4.27Å; A41-L113 HydrophobicContact CB-CD2 4.23Å; A41-L113 HydrophobicContact CB-CG 4.38Å; A41-D117 VanDerWaalsContact CB-O 3.28Å; A41-D117 WeakPolarHBondContact CB-O 3.44Å
42A97.8Very high96.4Very high45 Ų4556.4 Ų56.437%0.37230%0.299SS..Hα-helixtrans-60.8-41.8175.700000112.4N40 Q46 D115N40-A42 VanDerWaalsContact C-N 3.33Å; N40-A42 PolarHBondContact O-N 3.05Å; A42-Q46 WeakPolarHBondContact O-CB 3.22Å; A42-Q46 PolarHBondContact O-N 3.26Å; A42-D115 HydrophobicContact CB-CB 3.9Å
43E97.8Very high96.1Very high87 Ų8756.6 Ų56.641%0.40730%0.3SS..Hα-helixtrans-65.9-45.4177.2-171.4-163.6167.200111.2N40 A41 R45 Q46 K47N40-E43 HydrophobicContact CB-CB 4.14Å; N40-E43 WeakPolarHBondContact CB-OE2 3.41Å; N40-E43 PolarHBondContact ND2-OE2 3.24Å; N40-E43 WeakPolarHBondContact O-CB 3.43Å; N40-E43 PolarHBondContact O-N 2.64Å; A41-E43 VanDerWaalsContact C-N 3.35Å; A41-E43 PolarHBondContact O-N 3.2Å; E43-R45 PolarHBondContact O-N 2.88Å; E43-Q46 PolarHBondContact O-N 3.46Å; E43-K47 HydrophobicContact CG-CD 4.49Å; E43-K47 WeakPolarHBondContact O-CG 3.32Å; E43-K47 PolarHBondContact O-N 2.82Å; E43-K47 WeakPolarHBondContact OE1-CE 3.35Å; E43-K47 IonicContact OE1-NZ 3.72Å; E43-K47 PolarHBondContact OE1-NZ 2.81Å
44L97.7Very high95.7Very high0 Ų060.8 Ų60.80%032%0.323CS..Hα-helixtrans-59.5-47.1176.9-68.5173.9000111.1V38 N40 A41 Q46 K47 A48 I53 L57 L113 M140 V141V38-L44 HydrophobicContact CG1-CD1 4.09Å; N40-L44 WeakPolarHBondContact O-CG 3.32Å; N40-L44 PolarHBondContact O-N 3.24Å; A41-L44 PolarHBondContact O-N 3.2Å; L44-Q46 VanDerWaalsContact C-N 3.35Å; L44-Q46 PolarHBondContact O-N 2.88Å; L44-K47 PolarHBondContact O-N 3Å; L44-A48 PolarHBondContact O-N 2.93Å; L44-I53 HydrophobicContact CB-CD1 4.47Å; L44-I53 HydrophobicContact CD2-CD1 3.87Å; L44-L57 HydrophobicContact CB-CD1 3.87Å; L44-L57 WeakPolarHBondContact O-CD1 3.43Å; L44-L113 HydrophobicContact CB-CD2 4.05Å; L44-M140 HydrophobicContact CD2-CB 4.14Å; L44-V141 HydrophobicContact CD1-CB 4.4Å; L44-V141 HydrophobicContact CD1-CG1 4.16Å; L44-V141 HydrophobicContact CD1-CG2 4Å; L44-V141 HydrophobicContact CD2-CG2 4.17Å
45R95.9Very high95.5Very high112 Ų11261 Ų6142%0.42332%0.324SS..Hα-helixtrans-60.8-44.3176.8-178.1-178162.6-109.8-6.8111.4A41 E43 A48 V49 L113 D115A41-R45 WeakPolarHBondContact O-CB 3.33Å; A41-R45 PolarHBondContact O-N 2.89Å; E43-R45 PolarHBondContact O-N 2.88Å; R45-A48 PolarHBondContact O-N 3.45Å; R45-V49 WeakPolarHBondContact O-CG2 3.28Å; R45-V49 PolarHBondContact O-N 2.9Å; R45-L113 HydrophobicContact CB-CD2 4.47Å; R45-L113 WeakPolarHBondContact CD-O 3.4Å; R45-D115 VanDerWaalsContact CD-OD1 3.28Å; R45-D115 WeakPolarHBondContact CD-OD1 3.46Å; R45-D115 IonicContact CZ-OD1 2.65Å; R45-D115 IonicContact NE-OD1 2.67Å; R45-D115 VanDerWaalsContact NH1-CG 3.34Å; R45-D115 IonicContact NH1-OD1 2.69Å; R45-D115 PolarHBondContact NH1-OD1 2.93Å; R45-D115 IonicContact NH1-OD2 3.89Å; R45-D115 PolarHBondContact NH1-OD2 3.45Å; R45-D115 VanDerWaalsContact NH1-OD2 3.14Å
46Q96.9Very high95.5Very high113 Ų11360.8 Ų60.853%0.52832%0.324SS..Hα-helixtrans-60.5-48176.7-178.7176.85.400111.5A42 E43 L44 A48 V49 E50A42-Q46 WeakPolarHBondContact O-CB 3.22Å; A42-Q46 PolarHBondContact O-N 3.26Å; E43-Q46 PolarHBondContact O-N 3.46Å; L44-Q46 VanDerWaalsContact C-N 3.35Å; L44-Q46 PolarHBondContact O-N 2.88Å; Q46-A48 VanDerWaalsContact C-N 3.29Å; Q46-A48 PolarHBondContact O-N 3.2Å; Q46-V49 PolarHBondContact O-N 3.42Å; Q46-V49 VanDerWaalsContact O-N 3.14Å; Q46-E50 HydrophobicContact CG-CG 4.44Å; Q46-E50 VanDerWaalsContact CG-OE1 3.28Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.37Å; Q46-E50 PolarHBondContact NE2-OE1 3.43Å; Q46-E50 WeakPolarHBondContact O-CG 3.38Å; Q46-E50 PolarHBondContact O-N 3.1Å
47K96.1Very high95.5Very high49 Ų4958 Ų5821%0.21331%0.312CS..Hα-helixtrans-60-37.2176.7-74.3178.8-176.91700112.5E43 L44 E50 G51 K52 I53 M140E43-K47 HydrophobicContact CG-CD 4.49Å; E43-K47 WeakPolarHBondContact O-CG 3.32Å; E43-K47 PolarHBondContact O-N 2.82Å; E43-K47 WeakPolarHBondContact OE1-CE 3.35Å; E43-K47 IonicContact OE1-NZ 3.72Å; E43-K47 PolarHBondContact OE1-NZ 2.81Å; L44-K47 PolarHBondContact O-N 3Å; K47-E50 PolarHBondContact O-N 3.41Å; K47-G51 PolarHBondContact O-N 3.3Å; K47-K52 HydrophobicContact CB-CB 4.14Å; K47-K52 HydrophobicContact CG-CB 4.47Å; K47-K52 PolarHBondContact O-N 3.05Å; K47-I53 HydrophobicContact CB-CD1 3.59Å; K47-I53 HydrophobicContact CB-CG1 3.83Å; K47-I53 HydrophobicContact CD-CD1 4.21Å; K47-I53 PolarHBondContact O-N 2.95Å; K47-M140 HydrophobicContact CD-SD 4.23Å
48A93.8Very high95.6Very high34 Ų3454.7 Ų54.728%0.28129%0.289SS..Hα-helixtrans-65.9-41.8174.700000112.2L44 R45 Q46 E50 G51 I53 L57L44-A48 PolarHBondContact O-N 2.93Å; R45-A48 PolarHBondContact O-N 3.45Å; Q46-A48 VanDerWaalsContact C-N 3.29Å; Q46-A48 PolarHBondContact O-N 3.2Å; A48-E50 VanDerWaalsContact C-N 3.33Å; A48-E50 PolarHBondContact O-N 2.99Å; A48-G51 PolarHBondContact O-N 3.24Å; A48-G51 VanDerWaalsContact O-N 3.15Å; A48-I53 HydrophobicContact CB-CB 4.34Å; A48-L57 HydrophobicContact CB-CD1 3.79Å; A48-L57 HydrophobicContact CB-CG 4.36Å
49V91.8Very high95.6Very high115 Ų11555 Ų5570%0.69729%0.29SS*.Hα-helixtrans-64.7-37.9175.5171.40000111.8R45 Q46 G51R45-V49 WeakPolarHBondContact O-CG2 3.28Å; R45-V49 PolarHBondContact O-N 2.9Å; Q46-V49 PolarHBondContact O-N 3.42Å; Q46-V49 VanDerWaalsContact O-N 3.14Å; V49-G51 PolarHBondContact O-N 3.27Å
50E93.8Very high95.6Very high91 Ų9147.1 Ų47.143%0.42526%0.256SS..THydrogen-bonded Turntrans-75.5-3.3175.8-68.4174.6-171.500113.4Q46 K47 A48 K52Q46-E50 HydrophobicContact CG-CG 4.44Å; Q46-E50 VanDerWaalsContact CG-OE1 3.28Å; Q46-E50 WeakPolarHBondContact CG-OE1 3.37Å; Q46-E50 PolarHBondContact NE2-OE1 3.43Å; Q46-E50 WeakPolarHBondContact O-CG 3.38Å; Q46-E50 PolarHBondContact O-N 3.1Å; K47-E50 PolarHBondContact O-N 3.41Å; A48-E50 VanDerWaalsContact C-N 3.33Å; A48-E50 PolarHBondContact O-N 2.99Å; E50-K52 VanDerWaalsContact C-N 3.27Å; E50-K52 HydrophobicContact CB-CD 4.34Å; E50-K52 HydrophobicContact CB-CG 4.28Å; E50-K52 PolarHBondContact O-N 2.91Å; E50-K52 VanDerWaalsContact OE2-CE 3.28Å; E50-K52 WeakPolarHBondContact OE2-CE 3.38Å; E50-K52 IonicContact OE2-NZ 2.75Å; E50-K52 PolarHBondContact OE2-NZ 3.11Å
51G90.4Very high95.6Very high60 Ų6047.9 Ų47.962%0.61926%0.261SS*.THydrogen-bonded Turntrans74.312.3-178.600000114.8K47 A48 V49 I53K47-G51 PolarHBondContact O-N 3.3Å; A48-G51 PolarHBondContact O-N 3.24Å; A48-G51 VanDerWaalsContact O-N 3.15Å; V49-G51 PolarHBondContact O-N 3.27Å; G51-I53 VanDerWaalsContact C-N 3.34Å
52K91.8Very high95.6Very high136 Ų13648.1 Ų48.159%0.59126%0.262SS*.  trans-81.2-14.8177.3-65.9175.9179.8161.30113.3K47 E50K47-K52 HydrophobicContact CB-CB 4.14Å; K47-K52 HydrophobicContact CG-CB 4.47Å; K47-K52 PolarHBondContact O-N 3.05Å; E50-K52 VanDerWaalsContact C-N 3.27Å; E50-K52 HydrophobicContact CB-CD 4.34Å; E50-K52 HydrophobicContact CB-CG 4.28Å; E50-K52 PolarHBondContact O-N 2.91Å; E50-K52 VanDerWaalsContact OE2-CE 3.28Å; E50-K52 WeakPolarHBondContact OE2-CE 3.38Å; E50-K52 IonicContact OE2-NZ 2.75Å; E50-K52 PolarHBondContact OE2-NZ 3.11Å
53I91Very high95.6Very high5 Ų546 Ų463%0.02624%0.244CC..  trans-115.6116.4171.5-71.8172.3000107.8L44 K47 A48 G51 G55 L57 I137 M140L44-I53 HydrophobicContact CB-CD1 4.47Å; L44-I53 HydrophobicContact CD2-CD1 3.87Å; K47-I53 HydrophobicContact CB-CD1 3.59Å; K47-I53 HydrophobicContact CB-CG1 3.83Å; K47-I53 HydrophobicContact CD-CD1 4.21Å; K47-I53 PolarHBondContact O-N 2.95Å; A48-I53 HydrophobicContact CB-CB 4.34Å; G51-I53 VanDerWaalsContact C-N 3.34Å; I53-G55 VanDerWaalsContact C-N 3.34Å; I53-G55 PolarHBondContact O-N 2.96Å; I53-L57 HydrophobicContact CG2-CD2 4.4Å; I53-I137 HydrophobicContact CG2-CD1 3.96Å; I53-I137 HydrophobicContact CG2-CG1 4.19Å; I53-I137 HydrophobicContact CG2-CG2 4.39Å; I53-M140 HydrophobicContact CD1-SD 4.17Å; I53-M140 HydrophobicContact CG1-SD 3.8Å
54N89.9Confident95.6Very high89 Ų8942.9 Ų42.948%0.47623%0.231SC..  trans-90.372.2171.1-17022.2000110.5N91 I137N54-N91 PolarHBondContact OD1-ND2 3.26Å; N54-N91 VanDerWaalsContact OD1-ND2 3.12Å; N54-I137 WeakPolarHBondContact O-CD1 3.49Å
55G94.5Very high95.6Very high3 Ų345.7 Ų45.73%0.03125%0.246CC..SBendtrans-166.3150.1176.200000111.9I53 N91 V123I53-G55 VanDerWaalsContact C-N 3.34Å; I53-G55 PolarHBondContact O-N 2.96Å; G55-N91 VanDerWaalsContact C-CG 3.5Å; G55-N91 PolarHBondContact N-ND2 2.97Å; G55-V123 CarbonylContact C-O 3.5Å; G55-V123 VanDerWaalsContact CA-O 3.3Å; G55-V123 WeakPolarHBondContact CA-O 3.14Å
56A98Very high95.7Very high1 Ų140.7 Ų40.71%0.00823%0.228CC..EExtended strand (participates in β ladder)trans-77.9122.3171.300000109.6I58 N91 I94 I95 V122 V123A56-I58 HydrophobicContact CB-CD1 4.29Å; A56-I58 HydrophobicContact CB-CG1 4.29Å; A56-N91 HydrophobicContact CB-CB 4.21Å; A56-N91 PolarHBondContact N-OD1 3.15Å; A56-I94 HydrophobicContact CB-CB 4.2Å; A56-I94 HydrophobicContact CB-CD1 4.27Å; A56-I94 HydrophobicContact CB-CG2 4.24Å; A56-I95 HydrophobicContact CB-CD1 4.38Å; A56-I95 HydrophobicContact CB-CG1 4.14Å; A56-V122 WeakPolarHBondContact O-CA 3.43Å; A56-V123 HydrophobicContact CB-CB 4.3Å; A56-V123 PolarHBondContact N-O 2.87Å; A56-V123 PolarHBondContact O-N 3.3Å
57L98.3Very high95.7Very high9 Ų937.8 Ų37.85%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-96.6108.3175.1-56-179000108.8L44 A48 I53 L113 V120 V122L44-L57 HydrophobicContact CB-CD1 3.87Å; L44-L57 WeakPolarHBondContact O-CD1 3.43Å; A48-L57 HydrophobicContact CB-CD1 3.79Å; A48-L57 HydrophobicContact CB-CG 4.36Å; I53-L57 HydrophobicContact CG2-CD2 4.4Å; L57-L113 HydrophobicContact CB-CB 3.78Å; L57-L113 HydrophobicContact CB-CD2 4.13Å; L57-L113 HydrophobicContact CD1-CD2 3.91Å; L57-L113 PolarHBondContact O-N 3.22Å; L57-V120 HydrophobicContact CB-CG2 4.08Å; L57-V120 HydrophobicContact CD2-CG2 4.29Å; L57-V122 HydrophobicContact CD2-CG1 4.36Å; L57-V122 HydrophobicContact CD2-CG2 3.9Å
58I98.7Very high95.7Very high0 Ų035.4 Ų35.40%020%0.204CC..EExtended strand (participates in β ladder)trans-113136.9-169.7-61.6166.2000110A56 P60 L63 V69 I94 I95 L98 F111 L121 V123A56-I58 HydrophobicContact CB-CD1 4.29Å; A56-I58 HydrophobicContact CB-CG1 4.29Å; I58-P60 VanDerWaalsContact O-CD 3.32Å; I58-P60 WeakPolarHBondContact O-CD 3.39Å; I58-L63 HydrophobicContact CG2-CD1 3.88Å; I58-L63 HydrophobicContact CG2-CD2 4.03Å; I58-L63 HydrophobicContact CG2-CG 4.21Å; I58-V69 HydrophobicContact CD1-CG1 4.13Å; I58-I94 HydrophobicContact CD1-CG2 4.2Å; I58-I95 HydrophobicContact CG1-CG1 4.09Å; I58-L98 HydrophobicContact CD1-CD1 4.01Å; I58-L98 HydrophobicContact CG1-CD1 4.4Å; I58-L98 HydrophobicContact CG2-CD1 3.97Å; I58-F111 CarbonylContact C-O 3.51Å; I58-F111 WeakPolarHBondContact CA-O 3.42Å; I58-F111 WeakPolarHBondContact CG2-O 3.35Å; I58-L121 HydrophobicContact CB-CB 4.35Å; I58-L121 WeakPolarHBondContact CB-O 3.39Å; I58-L121 PolarHBondContact N-O 2.91Å; I58-L121 PolarHBondContact O-N 2.86Å; I58-V123 HydrophobicContact CD1-CB 4.31Å; I58-V123 HydrophobicContact CD1-CG2 3.53Å
59N98.3Very high96Very high18 Ų1833.8 Ų33.810%0.09619%0.19CC..  trans-72.6113.5171.3-179-18.6000110T61 M62 F111 D117N59-T61 PolarHBondContact O-N 3.13Å; N59-T61 WeakPolarHBondContact OD1-CB 3.36Å; N59-T61 WeakPolarHBondContact OD1-CG2 3.27Å; N59-T61 PolarHBondContact OD1-N 2.78Å; N59-T61 PolarHBondContact OD1-OG1 3.45Å; N59-M62 PolarHBondContact O-N 3.28Å; N59-F111 PolarHBondContact N-O 2.61Å; N59-D117 PolarHBondContact ND2-OD2 3.33Å
60P98.3Very high96.2Very high0 Ų029.2 Ų29.20%016%0.162CC..G310 helixtrans-71.1-16.9-176.129.6-33.7000113.5L34 I58 M62 L63 S119 V151 L154L34-P60 HydrophobicContact CD1-CB 3.83Å; L34-P60 HydrophobicContact CD1-CG 4.2Å; I58-P60 VanDerWaalsContact O-CD 3.32Å; I58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-M62 PolarHBondContact O-N 2.94Å; P60-M62 VanDerWaalsContact O-N 3.1Å; P60-L63 PolarHBondContact O-N 3.17Å; P60-S119 WeakPolarHBondContact CD-O 3.48Å; P60-S119 WeakPolarHBondContact CG-OG 3.4Å; P60-V151 HydrophobicContact CB-CG2 4.06Å; P60-L154 HydrophobicContact CB-CB 4.42Å; P60-L154 HydrophobicContact CB-CD1 4.17Å; P60-L154 HydrophobicContact CG-CD1 3.95Å
61T98.2Very high96.4Very high35 Ų3526.8 Ų26.822%0.21515%0.153CC..G310 helixtrans-64.8-17.7178.475.90000112.7N59 L154 D156N59-T61 PolarHBondContact O-N 3.13Å; N59-T61 WeakPolarHBondContact OD1-CB 3.36Å; N59-T61 WeakPolarHBondContact OD1-CG2 3.27Å; N59-T61 PolarHBondContact OD1-N 2.78Å; N59-T61 PolarHBondContact OD1-OG1 3.45Å; T61-L154 WeakPolarHBondContact CA-O 3.35Å; T61-D156 PolarHBondContact O-N 2.97Å
62M98.1Very high96.8Very high9 Ų924 Ų244%0.04412%0.124CC..G310 helixtrans-99.811.7178.2-62.7-55.5-56.100113.4N59 P60 Q68 R110 F111 K159 I160 L163N59-M62 PolarHBondContact O-N 3.28Å; P60-M62 PolarHBondContact O-N 2.94Å; P60-M62 VanDerWaalsContact O-N 3.1Å; M62-Q68 PolarHBondContact O-NE2 3.15Å; M62-R110 VanDerWaalsContact CG-O 3.24Å; M62-R110 WeakPolarHBondContact CG-O 3.38Å; M62-F111 HydrophobicContact CB-CD1 3.77Å; M62-F111 HydrophobicContact CB-CE1 3.82Å; M62-K159 HydrophobicContact CE-CB 4.45Å; M62-K159 HydrophobicContact SD-CB 4.06Å; M62-I160 HydrophobicContact CE-CG1 4.16Å; M62-L163 HydrophobicContact CE-CB 4.16Å; M62-L163 HydrophobicContact CE-CD2 3.43Å; M62-L163 VanDerWaalsContact CE-CD2 3.43Å; M62-L163 HydrophobicContact CE-CG 4.44Å
63L98.4Very high97.1Very high0 Ų017.5 Ų17.50%010%0.096CC..  trans-112.3137.6-177.8-55.1-179.1000111.3I58 P60 Q68 V69 L98 L121 V151 S155I58-L63 HydrophobicContact CG2-CD1 3.88Å; I58-L63 HydrophobicContact CG2-CD2 4.03Å; I58-L63 HydrophobicContact CG2-CG 4.21Å; P60-L63 PolarHBondContact O-N 3.17Å; L63-Q68 HydrophobicContact CD2-CG 4.33Å; L63-V69 HydrophobicContact CD1-CG2 3.7Å; L63-V69 HydrophobicContact CD2-CG2 3.79Å; L63-V69 HydrophobicContact CG-CG2 4.32Å; L63-L98 HydrophobicContact CD2-CD1 4.18Å; L63-L98 HydrophobicContact CD2-CD2 4.18Å; L63-L121 HydrophobicContact CD1-CB 4.13Å; L63-L121 HydrophobicContact CD1-CD2 3.41Å; L63-L121 VanDerWaalsContact CD1-CD2 3.41Å; L63-L121 HydrophobicContact CD1-CG 4.38Å; L63-V151 HydrophobicContact CB-CG2 3.78Å; L63-V151 HydrophobicContact CD1-CG2 3.98Å; L63-S155 VanDerWaalsContact O-CB 3.28Å; L63-S155 WeakPolarHBondContact O-CB 3.36Å; L63-S155 PolarHBondContact O-OG 3.02Å
64V97.4Very high97.4Very high22 Ų2219.7 Ų19.713%0.13311%0.108CC..SBendtrans-91-45174.7-176.70000110.7I160 L176 L177 V180V64-I160 HydrophobicContact CG2-CD1 4.01Å; V64-I160 HydrophobicContact CG2-CG2 3.8Å; V64-L176 HydrophobicContact CG1-CD2 4.09Å; V64-L176 HydrophobicContact CG1-CG 4.49Å; V64-L176 HydrophobicContact CG2-CD2 3.58Å; V64-L176 HydrophobicContact CG2-CG 3.98Å; V64-L177 HydrophobicContact CB-CD1 4.43Å; V64-L177 HydrophobicContact CG1-CB 4.21Å; V64-V180 HydrophobicContact CG2-CG2 4.12Å
65D97.8Very high97.8Very high58 Ų5817.7 Ų17.731%0.3110%0.095SC..  trans-151.3149.3-173.5-171.4-87.4000110.4F67 Q68 L177D65-F67 PolarHBondContact O-N 3.32Å; D65-F67 VanDerWaalsContact O-N 3.13Å; D65-F67 WeakPolarHBondContact OD1-CA 3.02Å; D65-F67 WeakPolarHBondContact OD1-CB 3.34Å; D65-F67 PolarHBondContact OD1-N 2.7Å; D65-Q68 WeakPolarHBondContact O-CG 3.49Å; D65-Q68 PolarHBondContact O-N 3.38Å; D65-L177 HydrophobicContact CB-CD1 3.85Å; D65-L177 HydrophobicContact CB-CD2 3.71Å; D65-L177 HydrophobicContact CB-CG 4.37Å
66P97.3Very high97.9Very high8 Ų817.6 Ų17.65%0.0529%0.093CC..Hα-helixtrans-60.2-22.4177.2-22.836.6000113.5L18 Q32 Q68 V69 L70 V148 V151L18-P66 HydrophobicContact CD2-CB 3.71Å; Q32-P66 PolarHBondContact NE2-O 2.68Å; Q32-P66 VanDerWaalsContact NE2-O 3.07Å; Q32-P66 PolarHBondContact OE1-O 3.12Å; P66-Q68 VanDerWaalsContact C-N 3.33Å; P66-Q68 PolarHBondContact O-N 3.45Å; P66-V69 WeakPolarHBondContact O-CB 3.4Å; P66-V69 PolarHBondContact O-N 3.16Å; P66-L70 PolarHBondContact O-N 3.42Å; P66-L70 VanDerWaalsContact O-N 3.07Å; P66-V148 HydrophobicContact CB-CG1 3.83Å; P66-V148 HydrophobicContact CG-CG1 3.68Å; P66-V148 WeakPolarHBondContact CG-O 3.28Å; P66-V151 VanDerWaalsContact CD-CG1 3.45Å; P66-V151 HydrophobicContact CG-CG1 3.74Å
67F97.1Very high97.9Very high51 Ų5118.9 Ų18.922%0.22410%0.099CC..Hα-helixtrans-59.7-40.7175.7179.9-106.5000112.3F6 D65 V69 L70 V71 L177 V181F6-F67 HydrophobicContact CD2-CE2 4.49Å; D65-F67 PolarHBondContact O-N 3.32Å; D65-F67 VanDerWaalsContact O-N 3.13Å; D65-F67 WeakPolarHBondContact OD1-CA 3.02Å; D65-F67 WeakPolarHBondContact OD1-CB 3.34Å; D65-F67 PolarHBondContact OD1-N 2.7Å; F67-V69 PolarHBondContact O-N 2.64Å; F67-L70 WeakPolarHBondContact O-CB 2.95Å; F67-L70 PolarHBondContact O-N 3.03Å; F67-L70 VanDerWaalsContact O-N 3.11Å; F67-V71 HydrophobicContact CD1-CG2 4.21Å; F67-V71 HydrophobicContact CE1-CG2 3.76Å; F67-V71 HydrophobicContact CE2-CG2 4.31Å; F67-V71 HydrophobicContact CZ-CG2 3.81Å; F67-V71 WeakPolarHBondContact O-CG2 3.33Å; F67-V71 PolarHBondContact O-N 3.21Å; F67-L177 HydrophobicContact CB-CD2 4.49Å; F67-L177 HydrophobicContact CD1-CD2 4.25Å; F67-V181 HydrophobicContact CD1-CG2 4.31Å; F67-V181 HydrophobicContact CE1-CG2 4.3Å
68Q97.6Very high97.9Very high0 Ų022.1 Ų22.10%011%0.114CC..Hα-helixtrans-63-34.2179.285.5-175.445.200111.1M62 L63 D65 P66 V71 A72 L98 L177 V180 V181 M184M62-Q68 PolarHBondContact O-NE2 3.15Å; L63-Q68 HydrophobicContact CD2-CG 4.33Å; D65-Q68 WeakPolarHBondContact O-CG 3.49Å; D65-Q68 PolarHBondContact O-N 3.38Å; P66-Q68 VanDerWaalsContact C-N 3.33Å; P66-Q68 PolarHBondContact O-N 3.45Å; Q68-V71 PolarHBondContact O-N 3.08Å; Q68-A72 PolarHBondContact O-N 3.41Å; Q68-L98 HydrophobicContact CG-CD2 4.15Å; Q68-L177 HydrophobicContact CB-CD1 3.87Å; Q68-V180 HydrophobicContact CB-CG1 4.42Å; Q68-V181 HydrophobicContact CB-CG2 4.2Å; Q68-M184 HydrophobicContact CB-SD 4.29Å; Q68-M184 WeakPolarHBondContact O-CE 3.42Å
69V98.4Very high97.8Very high0 Ų023.4 Ų23.40%012%0.12CC..Hα-helixtrans-70.1-39.4177.2-178.40000110.6I58 L63 P66 F67 V71 A72 A73 L98 L121 V123I58-V69 HydrophobicContact CD1-CG1 4.13Å; L63-V69 HydrophobicContact CD1-CG2 3.7Å; L63-V69 HydrophobicContact CD2-CG2 3.79Å; L63-V69 HydrophobicContact CG-CG2 4.32Å; P66-V69 WeakPolarHBondContact O-CB 3.4Å; P66-V69 PolarHBondContact O-N 3.16Å; F67-V69 PolarHBondContact O-N 2.64Å; V69-V71 VanDerWaalsContact C-N 3.33Å; V69-V71 PolarHBondContact O-N 3.45Å; V69-A72 PolarHBondContact O-N 3.25Å; V69-A73 WeakPolarHBondContact O-CB 3.43Å; V69-A73 PolarHBondContact O-N 3.2Å; V69-L98 HydrophobicContact CG2-CD2 4.37Å; V69-L121 HydrophobicContact CB-CD2 4.31Å; V69-L121 HydrophobicContact CG1-CD2 4.04Å; V69-L121 HydrophobicContact CG2-CD2 3.71Å; V69-V123 HydrophobicContact CG1-CB 4.49Å; V69-V123 HydrophobicContact CG1-CG1 4.35Å; V69-V123 HydrophobicContact CG1-CG2 3.39Å
70L97.7Very high97.8Very high18 Ų1826.7 Ų26.79%0.09414%0.135CC..Hα-helixtrans-61.4-41.8173.3-176.462.4000111.6Q20 L22 V30 P66 F67 A73 N74Q20-L70 HydrophobicContact CB-CD1 3.92Å; Q20-L70 HydrophobicContact CB-CD2 4.19Å; Q20-L70 HydrophobicContact CG-CD1 4.44Å; Q20-L70 HydrophobicContact CG-CD2 4Å; L22-L70 HydrophobicContact CD2-CD1 4.36Å; V30-L70 HydrophobicContact CB-CD1 4.09Å; V30-L70 HydrophobicContact CG1-CD1 4.33Å; V30-L70 HydrophobicContact CG2-CD1 4.37Å; P66-L70 PolarHBondContact O-N 3.42Å; P66-L70 VanDerWaalsContact O-N 3.07Å; F67-L70 WeakPolarHBondContact O-CB 2.95Å; F67-L70 PolarHBondContact O-N 3.03Å; F67-L70 VanDerWaalsContact O-N 3.11Å; L70-A73 PolarHBondContact O-N 3.29Å; L70-N74 WeakPolarHBondContact CD1-ND2 3.49Å; L70-N74 WeakPolarHBondContact O-CB 3.25Å; L70-N74 PolarHBondContact O-N 2.91Å; L70-N74 PolarHBondContact O-ND2 3.14Å
71V97.8Very high97.7Very high40 Ų4029.4 Ų29.424%0.24215%0.154CC..Hα-helixtrans-60.8-45.8174.2173.50000110.9F67 Q68 V69 A73 N74 K75 V181 M184F67-V71 HydrophobicContact CD1-CG2 4.21Å; F67-V71 HydrophobicContact CE1-CG2 3.76Å; F67-V71 HydrophobicContact CE2-CG2 4.31Å; F67-V71 HydrophobicContact CZ-CG2 3.81Å; F67-V71 WeakPolarHBondContact O-CG2 3.33Å; F67-V71 PolarHBondContact O-N 3.21Å; Q68-V71 PolarHBondContact O-N 3.08Å; V69-V71 VanDerWaalsContact C-N 3.33Å; V69-V71 PolarHBondContact O-N 3.45Å; V71-A73 PolarHBondContact O-N 2.98Å; V71-N74 PolarHBondContact O-N 3.42Å; V71-K75 WeakPolarHBondContact O-CB 3.43Å; V71-K75 PolarHBondContact O-N 3.21Å; V71-V181 HydrophobicContact CG1-CG1 4.36Å; V71-V181 HydrophobicContact CG2-CG1 4.39Å; V71-M184 HydrophobicContact CB-CE 4.43Å; V71-M184 HydrophobicContact CG1-CE 4.25Å
72A98.4Very high97.7Very high1 Ų132.4 Ų32.41%0.00817%0.168CC..Hα-helixtrans-62-43.1177.400000112.2Q68 V69 K75 A76 L98 M184Q68-A72 PolarHBondContact O-N 3.41Å; V69-A72 PolarHBondContact O-N 3.25Å; A72-K75 PolarHBondContact O-N 2.77Å; A72-A76 VanDerWaalsContact O-CB 3.23Å; A72-A76 WeakPolarHBondContact O-CB 3.46Å; A72-A76 PolarHBondContact O-N 3.1Å; A72-L98 HydrophobicContact CB-CD2 3.69Å; A72-L98 HydrophobicContact CB-CG 3.84Å; A72-M184 HydrophobicContact CB-CE 3.85Å
73A98.4Very high97.6Very high0 Ų035.4 Ų35.40%020%0.201CC..Hα-helixtrans-66.8-42.7178.400000112.7V30 V69 L70 V71 K75 A76 F77 I94 V123V30-A73 HydrophobicContact CG1-CB 3.83Å; V30-A73 HydrophobicContact CG2-CB 3.93Å; V69-A73 WeakPolarHBondContact O-CB 3.43Å; V69-A73 PolarHBondContact O-N 3.2Å; L70-A73 PolarHBondContact O-N 3.29Å; V71-A73 PolarHBondContact O-N 2.98Å; A73-K75 PolarHBondContact O-N 3.4Å; A73-A76 PolarHBondContact O-N 3.01Å; A73-F77 WeakPolarHBondContact O-CB 3.35Å; A73-F77 PolarHBondContact O-N 2.87Å; A73-I94 HydrophobicContact CB-CD1 4.48Å; A73-I94 HydrophobicContact CB-CG1 4.44Å; A73-V123 HydrophobicContact CB-CG1 4.47Å
74N97.1Very high97.6Very high52 Ų5240.3 Ų40.328%0.27823%0.227SC..Hα-helixtrans-57-50173.1-90.1-83.9000111.4L22 L70 V71 F77 H78L22-N74 WeakPolarHBondContact CD2-ND2 3.49Å; L22-N74 VanDerWaalsContact CD2-OD1 3.27Å; L22-N74 WeakPolarHBondContact CD2-OD1 3.32Å; L70-N74 WeakPolarHBondContact CD1-ND2 3.49Å; L70-N74 WeakPolarHBondContact O-CB 3.25Å; L70-N74 PolarHBondContact O-N 2.91Å; L70-N74 PolarHBondContact O-ND2 3.14Å; V71-N74 PolarHBondContact O-N 3.42Å; N74-F77 PolarHBondContact O-N 2.94Å; N74-H78 WeakPolarHBondContact O-CB 3.46Å; N74-H78 PolarHBondContact O-N 3.06Å
75K97.1Very high97.6Very high47 Ų4741.9 Ų41.920%0.20423%0.233CC..Hα-helixtrans-61.4-47.4178.4-179.7173.6179.6165.40111.7V71 A72 A73 F77 H78 L79 M184 D188V71-K75 WeakPolarHBondContact O-CB 3.43Å; V71-K75 PolarHBondContact O-N 3.21Å; A72-K75 PolarHBondContact O-N 2.77Å; A73-K75 PolarHBondContact O-N 3.4Å; K75-F77 PolarHBondContact O-N 3.24Å; K75-H78 PolarHBondContact O-N 3.48Å; K75-L79 HydrophobicContact CG-CD1 4.18Å; K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 3.48Å; K75-M184 PolarHBondContact NZ-O 3.06Å; K75-D188 VanDerWaalsContact CE-OD2 3.25Å; K75-D188 WeakPolarHBondContact CE-OD2 3.47Å; K75-D188 IonicContact NZ-OD2 3.7Å; K75-D188 PolarHBondContact NZ-OD2 3.27Å
76A98.1Very high97.5Very high0 Ų044 Ų440%024%0.24CC..Hα-helixtrans-60.8-45.3179.600000112A72 A73 L79 H80 L90 E93 I94A72-A76 VanDerWaalsContact O-CB 3.23Å; A72-A76 WeakPolarHBondContact O-CB 3.46Å; A72-A76 PolarHBondContact O-N 3.1Å; A73-A76 PolarHBondContact O-N 3.01Å; A76-L79 PolarHBondContact O-N 3.35Å; A76-H80 WeakPolarHBondContact O-CB 3.18Å; A76-H80 PolarHBondContact O-N 2.66Å; A76-L90 HydrophobicContact CB-CD1 3.98Å; A76-E93 HydrophobicContact CB-CB 3.88Å; A76-E93 HydrophobicContact CB-CG 3.85Å; A76-I94 HydrophobicContact CB-CB 4.33Å; A76-I94 HydrophobicContact CB-CG1 3.63Å
77F97.9Very high97.5Very high28 Ų2844.5 Ų44.512%0.12324%0.243CC..Hα-helixtrans-67-39.7177.7-171.4-100.4000112.2L22 Y25 T28 A73 N74 K75 L79 H80 S81 L90 V125L22-F77 HydrophobicContact CD1-CB 3.9Å; L22-F77 HydrophobicContact CD1-CD1 3.61Å; L22-F77 HydrophobicContact CD1-CE1 4.38Å; L22-F77 HydrophobicContact CD1-CG 3.85Å; Y25-F77 HydrophobicContact CD1-CD1 4.23Å; Y25-F77 AromaticContact CD1-CE1 3.65Å; Y25-F77 HydrophobicContact CD1-CE1 3.65Å; Y25-F77 AromaticContact CD2-CD1 3.6Å; Y25-F77 HydrophobicContact CD2-CD1 3.6Å; Y25-F77 AromaticContact CD2-CE1 3.8Å; Y25-F77 HydrophobicContact CD2-CE1 3.8Å; Y25-F77 HydrophobicContact CE1-CD1 4.46Å; Y25-F77 HydrophobicContact CE1-CE1 4.13Å; Y25-F77 AromaticContact CE2-CD1 3.89Å; Y25-F77 HydrophobicContact CE2-CD1 3.89Å; Y25-F77 HydrophobicContact CE2-CE1 4.29Å; Y25-F77 AromaticContact CG-CD1 3.79Å; Y25-F77 HydrophobicContact CG-CD1 3.79Å; Y25-F77 AromaticContact CG-CE1 3.45Å; Y25-F77 HydrophobicContact CG-CE1 3.45Å; Y25-F77 VanDerWaalsContact CG-CE1 3.45Å; T28-F77 HydrophobicContact CG2-CD1 4.22Å; T28-F77 HydrophobicContact CG2-CD2 4.12Å; T28-F77 HydrophobicContact CG2-CE1 3.87Å; T28-F77 HydrophobicContact CG2-CE2 3.75Å; T28-F77 HydrophobicContact CG2-CG 4.32Å; T28-F77 HydrophobicContact CG2-CZ 3.61Å; T28-F77 VanDerWaalsContact OG1-CZ 3.24Å; T28-F77 WeakPolarHBondContact OG1-CZ 3.36Å; A73-F77 WeakPolarHBondContact O-CB 3.35Å; A73-F77 PolarHBondContact O-N 2.87Å; N74-F77 PolarHBondContact O-N 2.94Å; K75-F77 PolarHBondContact O-N 3.24Å; F77-L79 PolarHBondContact O-N 3.31Å; F77-H80 WeakPolarHBondContact O-CB 3.24Å; F77-H80 PolarHBondContact O-N 3.44Å; F77-S81 PolarHBondContact O-N 3.21Å; F77-L90 HydrophobicContact CB-CD1 4.29Å; F77-L90 HydrophobicContact CD2-CD1 4.41Å; F77-L90 HydrophobicContact CD2-CD2 3.89Å; F77-V125 HydrophobicContact CD2-CG1 3.6Å; F77-V125 HydrophobicContact CE2-CG1 4Å; F77-V125 HydrophobicContact CG-CG1 4.28Å
78H97.4Very high97.4Very high78 Ų7854 Ų5436%0.36128%0.277SS..Hα-helixtrans-57.8-51173.7178.568.9000111.3Y25 N74 K75 H80 S81 I82Y25-H78 HydrophobicContact CE2-CB 4.36Å; Y25-H78 AromaticContact CZ-ND1 3.96Å; Y25-H78 WeakPolarHBondContact OH-CA 3.09Å; Y25-H78 PolarHBondContact OH-ND1 3.14Å; N74-H78 WeakPolarHBondContact O-CB 3.46Å; N74-H78 PolarHBondContact O-N 3.06Å; K75-H78 PolarHBondContact O-N 3.48Å; H78-H80 VanDerWaalsContact C-N 3.27Å; H78-H80 PolarHBondContact O-N 3.16Å; H78-S81 PolarHBondContact O-N 2.87Å; H78-S81 VanDerWaalsContact O-N 3.13Å; H78-S81 PolarHBondContact O-OG 3.11Å; H78-I82 PolarHBondContact O-N 2.84Å
79L97.2Very high97.3Very high27 Ų2756.1 Ų56.114%0.14129%0.292CS..Hα-helixtrans-61.5-35.2177.1-67.9173.9000112.5K75 A76 F77 I82 G83 N84 M85K75-L79 HydrophobicContact CG-CD1 4.18Å; K75-L79 WeakPolarHBondContact O-CG 3.49Å; K75-L79 PolarHBondContact O-N 3.48Å; A76-L79 PolarHBondContact O-N 3.35Å; F77-L79 PolarHBondContact O-N 3.31Å; L79-I82 HydrophobicContact CD2-CD1 4.37Å; L79-G83 PolarHBondContact O-N 2.81Å; L79-N84 HydrophobicContact CD2-CB 4.22Å; L79-N84 PolarHBondContact O-N 3.01Å; L79-M85 HydrophobicContact CB-CG 4.15Å
80H97.8Very high97.3Very high87 Ų8757.5 Ų57.540%0.40330%0.299SS..Hα-helixtrans-61.2-50171.7179.265.4000111.8A76 F77 H78 I82 G83 M85 L90A76-H80 WeakPolarHBondContact O-CB 3.18Å; A76-H80 PolarHBondContact O-N 2.66Å; F77-H80 WeakPolarHBondContact O-CB 3.24Å; F77-H80 PolarHBondContact O-N 3.44Å; H78-H80 VanDerWaalsContact C-N 3.27Å; H78-H80 PolarHBondContact O-N 3.16Å; H80-I82 PolarHBondContact O-N 2.91Å; H80-G83 PolarHBondContact O-N 2.83Å; H80-M85 HydrophobicContact CB-CE 4.4Å; H80-M85 HydrophobicContact CB-CG 4.11Å; H80-M85 HydrophobicContact CB-SD 3.62Å; H80-M85 WeakPolarHBondContact ND1-CE 3.44Å; H80-L90 HydrophobicContact CB-CD1 4.04Å
81S96.8Very high97.3Very high57 Ų5757.8 Ų57.840%0.39930%0.301SS..Hα-helixtrans-61.8-28.7-17774.40000113.9Y25 F77 H78Y25-S81 PolarHBondContact OH-OG 3.2Å; F77-S81 PolarHBondContact O-N 3.21Å; H78-S81 PolarHBondContact O-N 2.87Å; H78-S81 VanDerWaalsContact O-N 3.13Å; H78-S81 PolarHBondContact O-OG 3.11Å
82I97.1Very high97.3Very high98 Ų9857.1 Ų57.150%0.50330%0.298SS..THydrogen-bonded Turntrans-100.54.5178.470.2172.6000113.3H78 L79 H80 N84H78-I82 PolarHBondContact O-N 2.84Å; L79-I82 HydrophobicContact CD2-CD1 4.37Å; H80-I82 PolarHBondContact O-N 2.91Å; I82-N84 HydrophobicContact CD1-CB 3.94Å; I82-N84 HydrophobicContact CG1-CB 3.8Å; I82-N84 PolarHBondContact O-N 2.83Å
83G97.4Very high97.3Very high72 Ų7257.1 Ų57.174%0.74230%0.298SS*.THydrogen-bonded Turntrans6926.5178.900000115.3L79 H80L79-G83 PolarHBondContact O-N 2.81Å; H80-G83 PolarHBondContact O-N 2.83Å
84N97Very high97.3Very high103 Ų10357.1 Ų57.155%0.55130%0.298SS*.  trans-118.330.2-174.3-164.529.3000113.4L79 I82L79-N84 HydrophobicContact CD2-CB 4.22Å; L79-N84 PolarHBondContact O-N 3.01Å; I82-N84 HydrophobicContact CD1-CB 3.94Å; I82-N84 HydrophobicContact CG1-CB 3.8Å; I82-N84 PolarHBondContact O-N 2.83Å
85M97.6Very high97.4Very high54 Ų5455.1 Ų55.127%0.26629%0.287SS..  trans-69.1144.6173.4-65.5-171.4-61.600110.9L79 H80 E93L79-M85 HydrophobicContact CB-CG 4.15Å; H80-M85 HydrophobicContact CB-CE 4.4Å; H80-M85 HydrophobicContact CB-CG 4.11Å; H80-M85 HydrophobicContact CB-SD 3.62Å; H80-M85 WeakPolarHBondContact ND1-CE 3.44Å; M85-E93 HydrophobicContact CB-CG 4.21Å; M85-E93 HydrophobicContact CG-CB 4.39Å; M85-E93 HydrophobicContact CG-CG 3.96Å; M85-E93 HydrophobicContact SD-CB 4.04Å; M85-E93 HydrophobicContact SD-CG 4.26Å
86K96.7Very high97.5Very high103 Ų10353 Ų5345%0.44828%0.278SS..SBendtrans-84.8-23.5171.8-65-169.4-176.1163.40112.4E93 F96 N102 D188K86-E93 PolarHBondContact N-OE1 3.41Å; K86-E93 PolarHBondContact N-OE2 3.29Å; K86-E93 VanDerWaalsContact N-OE2 3.15Å; K86-F96 HydrophobicContact CB-CD1 4.41Å; K86-F96 HydrophobicContact CB-CE1 3.99Å; K86-F96 HydrophobicContact CD-CE1 3.68Å; K86-F96 HydrophobicContact CD-CZ 3.87Å; K86-F96 HydrophobicContact CG-CE1 4.2Å; K86-N102 PolarHBondContact NZ-OD1 3.32Å; K86-D188 IonicContact NZ-OD1 2.85Å; K86-D188 PolarHBondContact NZ-OD1 3.45Å
87T97.1Very high97.5Very high18 Ų1853 Ų5311%0.1128%0.278CS..SBendtrans-103.2173.9179.7720000112S89 S92 E93 F96 I104T87-S89 PolarHBondContact OG1-O 3.47Å; T87-S92 WeakPolarHBondContact OG1-CB 3.23Å; T87-E93 WeakPolarHBondContact CA-OE2 3.43Å; T87-E93 WeakPolarHBondContact CB-OE2 3.42Å; T87-E93 VanDerWaalsContact CG2-OE2 3.29Å; T87-E93 WeakPolarHBondContact CG2-OE2 3.2Å; T87-E93 PolarHBondContact N-OE2 3.45Å; T87-E93 VanDerWaalsContact OG1-CA 3.31Å; T87-E93 WeakPolarHBondContact OG1-CA 3.3Å; T87-E93 WeakPolarHBondContact OG1-CB 3.41Å; T87-E93 PolarHBondContact OG1-N 2.9Å; T87-E93 PolarHBondContact OG1-OE2 2.59Å; T87-F96 HydrophobicContact CG2-CB 3.79Å; T87-F96 HydrophobicContact CG2-CD1 4.33Å; T87-F96 HydrophobicContact CG2-CG 4.08Å; T87-I104 HydrophobicContact CG2-CD1 4.22Å; T87-I104 HydrophobicContact CG2-CG1 4.34Å; T87-I104 HydrophobicContact CG2-CG2 4.17Å
88R94.8Very high97.5Very high252 Ų25251.7 Ų51.795%0.95127%0.272SS*.SBendtrans-85.1-9.8-173.7-64-177.6179173.7-1.2114.8
89S96.6Very high97.5Very high44 Ų4448.2 Ų48.231%0.30826%0.256SS..SBendtrans-150.8156-179.170.60000111.1T87 N91 S92 E93T87-S89 PolarHBondContact OG1-O 3.47Å; S89-N91 VanDerWaalsContact C-N 3.31Å; S89-N91 PolarHBondContact O-N 3.47Å; S89-S92 WeakPolarHBondContact O-CB 3.38Å; S89-S92 PolarHBondContact O-N 3.21Å; S89-S92 VanDerWaalsContact O-N 3.16Å; S89-S92 WeakPolarHBondContact OG-CB 3.48Å; S89-S92 PolarHBondContact OG-N 3.45Å; S89-S92 PolarHBondContact OG-OG 3.07Å; S89-E93 PolarHBondContact O-N 2.98Å
90L97.8Very high97.5Very high28 Ų2848 Ų4815%0.14726%0.257CS..Hα-helixtrans-56.8-45176.4177.958.6000111.9A76 F77 H80 S92 E93 I94 V125A76-L90 HydrophobicContact CB-CD1 3.98Å; F77-L90 HydrophobicContact CB-CD1 4.29Å; F77-L90 HydrophobicContact CD2-CD1 4.41Å; F77-L90 HydrophobicContact CD2-CD2 3.89Å; H80-L90 HydrophobicContact CB-CD1 4.04Å; L90-S92 VanDerWaalsContact C-N 3.27Å; L90-S92 PolarHBondContact O-N 2.94Å; L90-E93 WeakPolarHBondContact O-CA 3.46Å; L90-E93 WeakPolarHBondContact O-CB 3.32Å; L90-E93 PolarHBondContact O-N 3.25Å; L90-I94 HydrophobicContact CG-CD1 4.44Å; L90-I94 WeakPolarHBondContact O-CG1 3.33Å; L90-I94 PolarHBondContact O-N 3Å; L90-V125 HydrophobicContact CD2-CB 3.74Å; L90-V125 HydrophobicContact CD2-CG1 3.97Å; L90-V125 HydrophobicContact CD2-CG2 4.02Å; L90-V125 HydrophobicContact CG-CG2 4.43Å
91N97.6Very high97.4Very high25 Ų2546.7 Ų46.713%0.13426%0.255CS..Hα-helixtrans-59.2-40.1178.8-62.9-34000112.1N54 G55 A56 S89 I95N54-N91 PolarHBondContact OD1-ND2 3.26Å; N54-N91 VanDerWaalsContact OD1-ND2 3.12Å; G55-N91 VanDerWaalsContact C-CG 3.5Å; G55-N91 PolarHBondContact N-ND2 2.97Å; A56-N91 HydrophobicContact CB-CB 4.21Å; A56-N91 PolarHBondContact N-OD1 3.15Å; S89-N91 VanDerWaalsContact C-N 3.31Å; S89-N91 PolarHBondContact O-N 3.47Å; N91-I95 PolarHBondContact O-N 3.07Å
92S97.6Very high97.3Very high26 Ų2647.1 Ų47.118%0.18225%0.253CS..Hα-helixtrans-66.8-37.7174.6-62.90000112.5T87 S89 L90 I94 I95 F96 F108T87-S92 WeakPolarHBondContact OG1-CB 3.23Å; S89-S92 WeakPolarHBondContact O-CB 3.38Å; S89-S92 PolarHBondContact O-N 3.21Å; S89-S92 VanDerWaalsContact O-N 3.16Å; S89-S92 WeakPolarHBondContact OG-CB 3.48Å; S89-S92 PolarHBondContact OG-N 3.45Å; S89-S92 PolarHBondContact OG-OG 3.07Å; L90-S92 VanDerWaalsContact C-N 3.27Å; L90-S92 PolarHBondContact O-N 2.94Å; S92-I94 VanDerWaalsContact C-N 3.33Å; S92-I95 PolarHBondContact O-N 3.11Å; S92-F96 WeakPolarHBondContact O-CB 3.18Å; S92-F96 PolarHBondContact O-N 3.2Å; S92-F108 VanDerWaalsContact CB-CZ 3.48Å; S92-F108 WeakPolarHBondContact OG-CZ 3.45Å
93E98.4Very high97.2Very high1 Ų149.4 Ų49.41%0.00526%0.259CS..Hα-helixtrans-69.4-33-179.5-161.569.1-162.500111.5A76 M85 K86 T87 S89 L90 F96 S97A76-E93 HydrophobicContact CB-CB 3.88Å; A76-E93 HydrophobicContact CB-CG 3.85Å; M85-E93 HydrophobicContact CB-CG 4.21Å; M85-E93 HydrophobicContact CG-CB 4.39Å; M85-E93 HydrophobicContact CG-CG 3.96Å; M85-E93 HydrophobicContact SD-CB 4.04Å; M85-E93 HydrophobicContact SD-CG 4.26Å; K86-E93 PolarHBondContact N-OE1 3.41Å; K86-E93 PolarHBondContact N-OE2 3.29Å; K86-E93 VanDerWaalsContact N-OE2 3.15Å; T87-E93 WeakPolarHBondContact CA-OE2 3.43Å; T87-E93 WeakPolarHBondContact CB-OE2 3.42Å; T87-E93 VanDerWaalsContact CG2-OE2 3.29Å; T87-E93 WeakPolarHBondContact CG2-OE2 3.2Å; T87-E93 PolarHBondContact N-OE2 3.45Å; T87-E93 VanDerWaalsContact OG1-CA 3.31Å; T87-E93 WeakPolarHBondContact OG1-CA 3.3Å; T87-E93 WeakPolarHBondContact OG1-CB 3.41Å; T87-E93 PolarHBondContact OG1-N 2.9Å; T87-E93 PolarHBondContact OG1-OE2 2.59Å; S89-E93 PolarHBondContact O-N 2.98Å; L90-E93 WeakPolarHBondContact O-CA 3.46Å; L90-E93 WeakPolarHBondContact O-CB 3.32Å; L90-E93 PolarHBondContact O-N 3.25Å; E93-F96 PolarHBondContact O-N 3.23Å; E93-S97 WeakPolarHBondContact O-CB 3.06Å; E93-S97 PolarHBondContact O-N 2.64Å; E93-S97 PolarHBondContact O-OG 3.06Å
94I98.7Very high97.2Very high0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-61.9-52.3173.2-62.7169.2000110.1A56 I58 A73 A76 L90 S92 F96 S97 L98 V123 V125A56-I94 HydrophobicContact CB-CB 4.2Å; A56-I94 HydrophobicContact CB-CD1 4.27Å; A56-I94 HydrophobicContact CB-CG2 4.24Å; I58-I94 HydrophobicContact CD1-CG2 4.2Å; A73-I94 HydrophobicContact CB-CD1 4.48Å; A73-I94 HydrophobicContact CB-CG1 4.44Å; A76-I94 HydrophobicContact CB-CB 4.33Å; A76-I94 HydrophobicContact CB-CG1 3.63Å; L90-I94 HydrophobicContact CG-CD1 4.44Å; L90-I94 WeakPolarHBondContact O-CG1 3.33Å; L90-I94 PolarHBondContact O-N 3Å; S92-I94 VanDerWaalsContact C-N 3.33Å; I94-F96 VanDerWaalsContact C-N 3.3Å; I94-F96 PolarHBondContact O-N 3.22Å; I94-S97 PolarHBondContact O-N 3.46Å; I94-S97 VanDerWaalsContact O-N 3.11Å; I94-L98 PolarHBondContact O-N 2.95Å; I94-V123 HydrophobicContact CD1-CG1 4.32Å; I94-V125 HydrophobicContact CD1-CG2 3.7Å
95I98.5Very high97.2Very high10 Ų1048.9 Ų48.95%0.05125%0.247CC..Hα-helixtrans-59.9-44.2178.6-63.2171.3000110.1A56 I58 N91 S92 S97 L98 F108 F111A56-I95 HydrophobicContact CB-CD1 4.38Å; A56-I95 HydrophobicContact CB-CG1 4.14Å; I58-I95 HydrophobicContact CG1-CG1 4.09Å; N91-I95 PolarHBondContact O-N 3.07Å; S92-I95 PolarHBondContact O-N 3.11Å; I95-S97 VanDerWaalsContact C-N 3.32Å; I95-S97 PolarHBondContact O-N 3.39Å; I95-L98 WeakPolarHBondContact O-CB 3.39Å; I95-L98 PolarHBondContact O-N 2.93Å; I95-F108 HydrophobicContact CB-CE1 4.48Å; I95-F108 HydrophobicContact CD1-CD1 4.2Å; I95-F108 HydrophobicContact CD1-CE1 3.75Å; I95-F108 HydrophobicContact CD1-CZ 4.48Å; I95-F108 HydrophobicContact CG2-CD1 4.18Å; I95-F108 HydrophobicContact CG2-CE1 4.39Å; I95-F108 HydrophobicContact CG2-CG 4.38Å; I95-F111 HydrophobicContact CG2-CB 3.89Å
96F98.5Very high97.1Very high2 Ų249.7 Ų49.71%0.00925%0.25CC..Hα-helixtrans-63.7-36.6176.6174.4-112.2000112.6K86 T87 S92 E93 I94 L98 S99 I104 A107 K187K86-F96 HydrophobicContact CB-CD1 4.41Å; K86-F96 HydrophobicContact CB-CE1 3.99Å; K86-F96 HydrophobicContact CD-CE1 3.68Å; K86-F96 HydrophobicContact CD-CZ 3.87Å; K86-F96 HydrophobicContact CG-CE1 4.2Å; T87-F96 HydrophobicContact CG2-CB 3.79Å; T87-F96 HydrophobicContact CG2-CD1 4.33Å; T87-F96 HydrophobicContact CG2-CG 4.08Å; S92-F96 WeakPolarHBondContact O-CB 3.18Å; S92-F96 PolarHBondContact O-N 3.2Å; E93-F96 PolarHBondContact O-N 3.23Å; I94-F96 VanDerWaalsContact C-N 3.3Å; I94-F96 PolarHBondContact O-N 3.22Å; F96-L98 PolarHBondContact O-N 3.14Å; F96-S99 WeakPolarHBondContact O-CB 3.4Å; F96-S99 PolarHBondContact O-N 2.79Å; F96-S99 VanDerWaalsContact O-N 3.11Å; F96-I104 HydrophobicContact CD2-CG1 3.93Å; F96-I104 HydrophobicContact CE2-CG1 3.97Å; F96-A107 HydrophobicContact CD2-CB 4.07Å; F96-K187 VanDerWaalsContact CD1-NZ 3.31Å; F96-K187 PolarHBondContact O-NZ 3.02Å
97S98.3Very high97.2Very high1 Ų144.8 Ų44.81%0.00723%0.228CC..Hα-helixtrans-67-20.8179.5-68.20000113.8E93 I94 I95E93-S97 WeakPolarHBondContact O-CB 3.06Å; E93-S97 PolarHBondContact O-N 2.64Å; E93-S97 PolarHBondContact O-OG 3.06Å; I94-S97 PolarHBondContact O-N 3.46Å; I94-S97 VanDerWaalsContact O-N 3.11Å; I95-S97 VanDerWaalsContact C-N 3.32Å; I95-S97 PolarHBondContact O-N 3.39Å
98L98.5Very high97.2Very high0 Ų047.4 Ų47.40%024%0.238CC..Hα-helixtrans-72.1-31.4170.7-66.6166.5000112.8I58 L63 Q68 V69 A72 I94 I95 F96 F111 Y164 M184I58-L98 HydrophobicContact CD1-CD1 4.01Å; I58-L98 HydrophobicContact CG1-CD1 4.4Å; I58-L98 HydrophobicContact CG2-CD1 3.97Å; L63-L98 HydrophobicContact CD2-CD1 4.18Å; L63-L98 HydrophobicContact CD2-CD2 4.18Å; Q68-L98 HydrophobicContact CG-CD2 4.15Å; V69-L98 HydrophobicContact CG2-CD2 4.37Å; A72-L98 HydrophobicContact CB-CD2 3.69Å; A72-L98 HydrophobicContact CB-CG 3.84Å; I94-L98 PolarHBondContact O-N 2.95Å; I95-L98 WeakPolarHBondContact O-CB 3.39Å; I95-L98 PolarHBondContact O-N 2.93Å; F96-L98 PolarHBondContact O-N 3.14Å; L98-F111 HydrophobicContact CB-CB 4.47Å; L98-F111 HydrophobicContact CB-CD1 3.71Å; L98-F111 HydrophobicContact CB-CD2 4.2Å; L98-F111 HydrophobicContact CB-CE1 3.89Å; L98-F111 HydrophobicContact CB-CE2 4.39Å; L98-F111 HydrophobicContact CB-CG 3.87Å; L98-F111 HydrophobicContact CB-CZ 4.23Å; L98-F111 HydrophobicContact CD1-CB 4.1Å; L98-F111 HydrophobicContact CD1-CD1 3.96Å; L98-F111 HydrophobicContact CD1-CG 4.22Å; L98-F111 HydrophobicContact CG-CD1 4.41Å; L98-Y164 PolarHBondContact O-OH 2.98Å; L98-M184 HydrophobicContact CD2-CE 4.19Å; L98-M184 WeakPolarHBondContact O-CG 3.4Å
99S97.8Very high97.3Very high4 Ų442.6 Ų42.63%0.02822%0.224CC..  trans-68138.2-175.41680000112.7F96 T101 A107 K187F96-S99 WeakPolarHBondContact O-CB 3.4Å; F96-S99 PolarHBondContact O-N 2.79Å; F96-S99 VanDerWaalsContact O-N 3.11Å; S99-T101 PolarHBondContact O-N 3.46Å; S99-T101 PolarHBondContact OG-N 3.27Å; S99-T101 PolarHBondContact OG-O 3.48Å; S99-T101 PolarHBondContact OG-OG1 2.92Å; S99-A107 VanDerWaalsContact CB-CB 3.46Å; S99-K187 WeakPolarHBondContact O-CD 3.28Å
100P97Very high97.3Very high23 Ų2345.7 Ų45.715%0.14923%0.229CC..SBendtrans-77.12.5171.832.3-33.9000113.3L163 Y164 R183P100-L163 HydrophobicContact CG-CD1 4.44Å; P100-L163 HydrophobicContact CG-CG 4.18Å; P100-Y164 HydrophobicContact CB-CD1 3.68Å; P100-Y164 HydrophobicContact CB-CE1 3.83Å; P100-Y164 HydrophobicContact CG-CD1 3.8Å; P100-Y164 HydrophobicContact CG-CE1 3.89Å; P100-Y164 HydrophobicContact CG-CG 4.39Å; P100-R183 HydrophobicContact CB-CB 4.16Å
101T95.5Very high97.3Very high60 Ų6044.4 Ų44.437%0.36822%0.222SC..SBendtrans-131.8159.1-177.874.80000112.1S99 K103S99-T101 PolarHBondContact O-N 3.46Å; S99-T101 PolarHBondContact OG-N 3.27Å; S99-T101 PolarHBondContact OG-O 3.48Å; S99-T101 PolarHBondContact OG-OG1 2.92Å; T101-K103 PolarHBondContact O-N 3.36Å
102N94.8Very high97.4Very high66 Ų6643.5 Ų43.535%0.35322%0.219SC..SBendtrans-79.812.5177.1-72.9-56.9000114.8K86 I104 K187K86-N102 PolarHBondContact NZ-OD1 3.32Å; N102-I104 PolarHBondContact O-N 2.89Å; N102-K187 PolarHBondContact ND2-O 2.94Å
103K95.9Very high97.4Very high145 Ų14542.9 Ų42.963%0.6321%0.214SC*.  trans-90.496.1-179.9-65-172.7-179.2-1760111.2T101 S105 E106 A107T101-K103 PolarHBondContact O-N 3.36Å; K103-S105 PolarHBondContact O-N 2.8Å; K103-E106 HydrophobicContact CB-CB 3.92Å; K103-E106 HydrophobicContact CB-CG 4.23Å; K103-E106 HydrophobicContact CD-CG 4.31Å; K103-E106 PolarHBondContact O-N 3.19Å; K103-E106 VanDerWaalsContact O-N 3.16Å; K103-A107 PolarHBondContact O-N 3.34Å
104I96.6Very high97.3Very high64 Ų6445.3 Ų45.333%0.32823%0.231SC..Hα-helixtrans-53-51.4-177.4-62.6171.2000111.7T87 F96 N102 E106 A107 F108T87-I104 HydrophobicContact CG2-CD1 4.22Å; T87-I104 HydrophobicContact CG2-CG1 4.34Å; T87-I104 HydrophobicContact CG2-CG2 4.17Å; F96-I104 HydrophobicContact CD2-CG1 3.93Å; F96-I104 HydrophobicContact CE2-CG1 3.97Å; N102-I104 PolarHBondContact O-N 2.89Å; I104-E106 VanDerWaalsContact C-N 3.3Å; I104-E106 PolarHBondContact O-N 2.98Å; I104-A107 WeakPolarHBondContact O-CB 3.43Å; I104-A107 PolarHBondContact O-N 2.97Å; I104-F108 HydrophobicContact CG2-CD2 3.84Å; I104-F108 HydrophobicContact CG2-CE2 3.88Å; I104-F108 WeakPolarHBondContact O-CD2 3.38Å; I104-F108 PolarHBondContact O-N 3.29Å
105S96.8Very high97.2Very high101 Ų10149.1 Ų49.171%0.70625%0.251SS*.Hα-helixtrans-61.4-36.7-178.2-49.90000113.2K103 K109K103-S105 PolarHBondContact O-N 2.8Å; S105-K109 WeakPolarHBondContact O-CB 3.27Å; S105-K109 PolarHBondContact O-N 3.03Å
106E96.4Very high97.1Very high71 Ų7159.8 Ų59.833%0.33229%0.291SS..Hα-helixtrans-70.1-38.7174.6-78.5-67.7136.200111.2K103 I104 F108 K109 R110K103-E106 HydrophobicContact CB-CB 3.92Å; K103-E106 HydrophobicContact CB-CG 4.23Å; K103-E106 HydrophobicContact CD-CG 4.31Å; K103-E106 PolarHBondContact O-N 3.19Å; K103-E106 VanDerWaalsContact O-N 3.16Å; I104-E106 VanDerWaalsContact C-N 3.3Å; I104-E106 PolarHBondContact O-N 2.98Å; E106-F108 VanDerWaalsContact C-N 3.33Å; E106-F108 PolarHBondContact O-N 2.91Å; E106-K109 PolarHBondContact O-N 3.5Å; E106-R110 WeakPolarHBondContact O-CB 3.41Å; E106-R110 WeakPolarHBondContact O-CG 3.4Å; E106-R110 PolarHBondContact O-N 2.9Å; E106-R110 IonicContact OE2-NE 3.43Å; E106-R110 IonicContact OE2-NH2 3.69Å
107A97.7Very high97Very high0 Ų061.1 Ų61.10%030%0.298CS..Hα-helixtrans-57.5-47.517500000111.2F96 S99 K103 I104 K109 R110 F111F96-A107 HydrophobicContact CD2-CB 4.07Å; S99-A107 VanDerWaalsContact CB-CB 3.46Å; K103-A107 PolarHBondContact O-N 3.34Å; I104-A107 WeakPolarHBondContact O-CB 3.43Å; I104-A107 PolarHBondContact O-N 2.97Å; A107-K109 PolarHBondContact O-N 3.42Å; A107-R110 PolarHBondContact O-N 2.97Å; A107-F111 WeakPolarHBondContact O-CB 3.18Å; A107-F111 WeakPolarHBondContact O-CD2 3.4Å; A107-F111 PolarHBondContact O-N 3.18Å
108F97Very high97Very high73 Ų7365.8 Ų65.832%0.3232%0.323SS..Hα-helixtrans-63-42.5175.9-88.6-82.8000113.4S92 I95 I104 E106 R110 G112S92-F108 VanDerWaalsContact CB-CZ 3.48Å; S92-F108 WeakPolarHBondContact OG-CZ 3.45Å; I95-F108 HydrophobicContact CB-CE1 4.48Å; I95-F108 HydrophobicContact CD1-CD1 4.2Å; I95-F108 HydrophobicContact CD1-CE1 3.75Å; I95-F108 HydrophobicContact CD1-CZ 4.48Å; I95-F108 HydrophobicContact CG2-CD1 4.18Å; I95-F108 HydrophobicContact CG2-CE1 4.39Å; I95-F108 HydrophobicContact CG2-CG 4.38Å; I104-F108 HydrophobicContact CG2-CD2 3.84Å; I104-F108 HydrophobicContact CG2-CE2 3.88Å; I104-F108 WeakPolarHBondContact O-CD2 3.38Å; I104-F108 PolarHBondContact O-N 3.29Å; E106-F108 VanDerWaalsContact C-N 3.33Å; E106-F108 PolarHBondContact O-N 2.91Å; F108-R110 PolarHBondContact O-N 3.25Å; F108-G112 VanDerWaalsContact O-CA 3.27Å; F108-G112 WeakPolarHBondContact O-CA 3.46Å; F108-G112 PolarHBondContact O-N 3.39Å
109K96.8Very high97Very high151 Ų15166 Ų6666%0.65732%0.324SS*.Hα-helixtrans-63.5-31178.3-176.4178.7177.2-178.10112.8S105 E106 A107S105-K109 WeakPolarHBondContact O-CB 3.27Å; S105-K109 PolarHBondContact O-N 3.03Å; E106-K109 PolarHBondContact O-N 3.5Å; A107-K109 PolarHBondContact O-N 3.42Å
110R97.4Very high97Very high108 Ų10865.8 Ų65.841%0.40832%0.323SS..Hα-helixtrans-90.1-47.4-177.1-64.5-67.11791732112.4M62 E106 A107 F108 L163M62-R110 VanDerWaalsContact CG-O 3.24Å; M62-R110 WeakPolarHBondContact CG-O 3.38Å; E106-R110 WeakPolarHBondContact O-CB 3.41Å; E106-R110 WeakPolarHBondContact O-CG 3.4Å; E106-R110 PolarHBondContact O-N 2.9Å; E106-R110 IonicContact OE2-NE 3.43Å; E106-R110 IonicContact OE2-NH2 3.69Å; A107-R110 PolarHBondContact O-N 2.97Å; F108-R110 PolarHBondContact O-N 3.25Å; R110-L163 HydrophobicContact CB-CD2 4.41Å; R110-L163 HydrophobicContact CG-CD2 4.47Å
111F98.4Very high97.1Very high1 Ų164.7 Ų64.70%0.00432%0.316CS..Hα-helixtrans-105.8-19.9-169.9-63.4-83.4000113.3I58 N59 M62 I95 L98 A107 L163 Y164I58-F111 CarbonylContact C-O 3.51Å; I58-F111 WeakPolarHBondContact CA-O 3.42Å; I58-F111 WeakPolarHBondContact CG2-O 3.35Å; N59-F111 PolarHBondContact N-O 2.61Å; M62-F111 HydrophobicContact CB-CD1 3.77Å; M62-F111 HydrophobicContact CB-CE1 3.82Å; I95-F111 HydrophobicContact CG2-CB 3.89Å; L98-F111 HydrophobicContact CB-CB 4.47Å; L98-F111 HydrophobicContact CB-CD1 3.71Å; L98-F111 HydrophobicContact CB-CD2 4.2Å; L98-F111 HydrophobicContact CB-CE1 3.89Å; L98-F111 HydrophobicContact CB-CE2 4.39Å; L98-F111 HydrophobicContact CB-CG 3.87Å; L98-F111 HydrophobicContact CB-CZ 4.23Å; L98-F111 HydrophobicContact CD1-CB 4.1Å; L98-F111 HydrophobicContact CD1-CD1 3.96Å; L98-F111 HydrophobicContact CD1-CG 4.22Å; L98-F111 HydrophobicContact CG-CD1 4.41Å; A107-F111 WeakPolarHBondContact O-CB 3.18Å; A107-F111 WeakPolarHBondContact O-CD2 3.4Å; A107-F111 PolarHBondContact O-N 3.18Å; F111-L163 HydrophobicContact CE1-CD2 4.45Å; F111-L163 HydrophobicContact CE2-CD2 3.73Å; F111-L163 HydrophobicContact CZ-CD2 3.48Å; F111-L163 VanDerWaalsContact CZ-CD2 3.48Å; F111-Y164 HydrophobicContact CE1-CE2 4.37Å; F111-Y164 WeakPolarHBondContact CE1-OH 3.42Å; F111-Y164 HydrophobicContact CZ-CE2 4.01Å; F111-Y164 AromaticContact CZ-CZ 3.84Å; F111-Y164 WeakPolarHBondContact CZ-OH 3.36Å
112G97.9Very high97.2Very high7 Ų761.8 Ų61.87%0.07230%0.298CS..BIsolated β-bridgetrans-77.6153.9175.900000111.9F108F108-G112 VanDerWaalsContact O-CA 3.27Å; F108-G112 WeakPolarHBondContact O-CA 3.46Å; F108-G112 PolarHBondContact O-N 3.39Å
113L98.1Very high97.4Very high12 Ų1258.7 Ų58.76%0.06328%0.282CS..PPolyproline II helixtrans-59.2134.9172.2-17569000111.4A41 L44 R45 L57 D117 V120A41-L113 HydrophobicContact CB-CD1 4.27Å; A41-L113 HydrophobicContact CB-CD2 4.23Å; A41-L113 HydrophobicContact CB-CG 4.38Å; L44-L113 HydrophobicContact CB-CD2 4.05Å; R45-L113 HydrophobicContact CB-CD2 4.47Å; R45-L113 WeakPolarHBondContact CD-O 3.4Å; L57-L113 HydrophobicContact CB-CB 3.78Å; L57-L113 HydrophobicContact CB-CD2 4.13Å; L57-L113 HydrophobicContact CD1-CD2 3.91Å; L57-L113 PolarHBondContact O-N 3.22Å; L113-D117 HydrophobicContact CD1-CB 3.64Å; L113-V120 HydrophobicContact CD1-CB 3.9Å; L113-V120 HydrophobicContact CD1-CG2 3.93Å; L113-V120 HydrophobicContact CD2-CG2 4.19Å; L113-V120 HydrophobicContact CG-CG2 4.46Å
114S97.2Very high97.4Very high53 Ų5351.8 Ų51.837%0.37125%0.252SS..PPolyproline II helixtrans-101.6159170.2-167.30000111.7R116 D117S114-R116 PolarHBondContact O-N 2.83Å; S114-D117 WeakPolarHBondContact CB-OD2 3.3Å; S114-D117 PolarHBondContact N-OD2 2.82Å; S114-D117 PolarHBondContact O-N 3.44Å
115D96.7Very high97.4Very high79 Ų7949.4 Ų49.442%0.42224%0.24SC..THydrogen-bonded Turntrans-61.1-18.2176.9-59.2-20.2000113.3A42 R45A42-D115 HydrophobicContact CB-CB 3.9Å; R45-D115 VanDerWaalsContact CD-OD1 3.28Å; R45-D115 WeakPolarHBondContact CD-OD1 3.46Å; R45-D115 IonicContact CZ-OD1 2.65Å; R45-D115 IonicContact NE-OD1 2.67Å; R45-D115 VanDerWaalsContact NH1-CG 3.34Å; R45-D115 IonicContact NH1-OD1 2.69Å; R45-D115 PolarHBondContact NH1-OD1 2.93Å; R45-D115 IonicContact NH1-OD2 3.89Å; R45-D115 PolarHBondContact NH1-OD2 3.45Å; R45-D115 VanDerWaalsContact NH1-OD2 3.14Å
116R95.9Very high97.3Very high234 Ų23444.9 Ų44.988%0.88321%0.208SC*.THydrogen-bonded Turntrans-106.9-3.8-176.3-60-177.1-178.3178.1-0.4113.9S114S114-R116 PolarHBondContact O-N 2.83Å
117D97.2Very high97.1Very high31 Ų3145.9 Ų45.917%0.16622%0.215CC..  trans-70.6140-179.2-69.8-17.4000109.5A41 N59 L113 S114A41-D117 VanDerWaalsContact CB-O 3.28Å; A41-D117 WeakPolarHBondContact CB-O 3.44Å; N59-D117 PolarHBondContact ND2-OD2 3.33Å; L113-D117 HydrophobicContact CD1-CB 3.64Å; S114-D117 WeakPolarHBondContact CB-OD2 3.3Å; S114-D117 PolarHBondContact N-OD2 2.82Å; S114-D117 PolarHBondContact O-N 3.44Å
118D97.3Very high96.6Very high99 Ų9949.6 Ų49.653%0.52923%0.231SC..SBendtrans-99.92.4178.973.1-15.5000112.5K36 S37 V38K36-D118 CarbonylContact C-O 3.47Å; K36-D118 VanDerWaalsContact C-O 3.32Å; S37-D118 CarbonylContact C-O 3.56Å; S37-D118 WeakPolarHBondContact CA-O 3.28Å; S37-D118 PolarHBondContact N-O 3.12Å; V38-D118 PolarHBondContact N-O 3.26Å
119S98.3Very high96Very high3 Ų352.6 Ų52.62%0.02125%0.251CS..EExtended strand (participates in β ladder)trans-149.4145.3-174.249.40000110F35 P60F35-S119 CarbonylContact O-C 3.6Å; F35-S119 WeakPolarHBondContact O-CA 3.43Å; F35-S119 WeakPolarHBondContact O-CB 3.25Å; P60-S119 WeakPolarHBondContact CD-O 3.48Å; P60-S119 WeakPolarHBondContact CG-OG 3.4Å
120V98.6Very high95.3Very high0 Ų049.6 Ų49.60%024%0.239CC..EExtended strand (participates in β ladder)trans-145.3136.1-177.467.10000109.9F35 V38 L57 L113 V122 V141F35-V120 HydrophobicContact CB-CG1 4.03Å; F35-V120 HydrophobicContact CD2-CG1 4.11Å; F35-V120 HydrophobicContact CG-CG1 4.45Å; F35-V120 PolarHBondContact N-O 2.85Å; F35-V120 PolarHBondContact O-N 3.36Å; V38-V120 HydrophobicContact CG2-CG1 4Å; L57-V120 HydrophobicContact CB-CG2 4.08Å; L57-V120 HydrophobicContact CD2-CG2 4.29Å; L113-V120 HydrophobicContact CD1-CB 3.9Å; L113-V120 HydrophobicContact CD1-CG2 3.93Å; L113-V120 HydrophobicContact CD2-CG2 4.19Å; L113-V120 HydrophobicContact CG-CG2 4.46Å; V120-V122 HydrophobicContact CG1-CG2 4.25Å; V120-V122 HydrophobicContact CG2-CG2 4.32Å; V120-V141 HydrophobicContact CG1-CG1 4.38Å
121L98.6Very high94.5Very high0 Ų048.6 Ų48.60%024%0.24CC..EExtended strand (participates in β ladder)trans-98.6117.6160.5-173.978.9000108.2Q32 M33 L34 I58 L63 V69 V123 V148Q32-L121 HydrophobicContact CB-CD1 4.36Å; M33-L121 WeakPolarHBondContact O-CA 3.38Å; L34-L121 HydrophobicContact CB-CD1 3.95Å; L34-L121 HydrophobicContact CD1-CB 4.22Å; L34-L121 HydrophobicContact CD1-CD1 4Å; I58-L121 HydrophobicContact CB-CB 4.35Å; I58-L121 WeakPolarHBondContact CB-O 3.39Å; I58-L121 PolarHBondContact N-O 2.91Å; I58-L121 PolarHBondContact O-N 2.86Å; L63-L121 HydrophobicContact CD1-CB 4.13Å; L63-L121 HydrophobicContact CD1-CD2 3.41Å; L63-L121 VanDerWaalsContact CD1-CD2 3.41Å; L63-L121 HydrophobicContact CD1-CG 4.38Å; V69-L121 HydrophobicContact CB-CD2 4.31Å; V69-L121 HydrophobicContact CG1-CD2 4.04Å; V69-L121 HydrophobicContact CG2-CD2 3.71Å; L121-V123 HydrophobicContact CD2-CG2 4.15Å; L121-V123 HydrophobicContact CG-CG2 4.35Å; L121-V148 HydrophobicContact CD1-CG1 4.31Å
122V98.3Very high93.9Very high0 Ų054.6 Ų54.60%027%0.268CS..EExtended strand (participates in β ladder)trans-91.3130.2173.9-177.80000108.6Q32 M33 F35 A56 L57 V120 I124 I137 V141Q32-V122 CarbonylContact C-O 3.53Å; Q32-V122 WeakPolarHBondContact CA-O 3.36Å; M33-V122 HydrophobicContact CB-CB 4.45Å; M33-V122 HydrophobicContact CE-CB 4.18Å; M33-V122 HydrophobicContact CE-CG1 3.93Å; M33-V122 PolarHBondContact N-O 3.32Å; M33-V122 PolarHBondContact O-N 2.82Å; F35-V122 HydrophobicContact CD2-CG2 4.19Å; F35-V122 HydrophobicContact CE2-CG2 3.96Å; A56-V122 WeakPolarHBondContact O-CA 3.43Å; L57-V122 HydrophobicContact CD2-CG1 4.36Å; L57-V122 HydrophobicContact CD2-CG2 3.9Å; V120-V122 HydrophobicContact CG1-CG2 4.25Å; V120-V122 HydrophobicContact CG2-CG2 4.32Å; V122-I124 HydrophobicContact CG1-CD1 4.25Å; V122-I124 HydrophobicContact CG1-CG1 4.04Å; V122-I137 HydrophobicContact CG1-CG2 3.66Å; V122-I137 HydrophobicContact CG2-CG2 4.47Å; V122-V141 HydrophobicContact CG2-CG2 4.46Å
123V98.3Very high93.3Very high0 Ų055 Ų550%027%0.271CS..EExtended strand (participates in β ladder)trans-122.8126.5175.3-175.90000109.6V30 T31 Q32 G55 A56 I58 V69 A73 I94 L121V30-V123 HydrophobicContact CG1-CG1 3.76Å; T31-V123 WeakPolarHBondContact O-CA 3.42Å; Q32-V123 HydrophobicContact CG-CG2 4.35Å; G55-V123 CarbonylContact C-O 3.5Å; G55-V123 VanDerWaalsContact CA-O 3.3Å; G55-V123 WeakPolarHBondContact CA-O 3.14Å; A56-V123 HydrophobicContact CB-CB 4.3Å; A56-V123 PolarHBondContact N-O 2.87Å; A56-V123 PolarHBondContact O-N 3.3Å; I58-V123 HydrophobicContact CD1-CB 4.31Å; I58-V123 HydrophobicContact CD1-CG2 3.53Å; V69-V123 HydrophobicContact CG1-CB 4.49Å; V69-V123 HydrophobicContact CG1-CG1 4.35Å; V69-V123 HydrophobicContact CG1-CG2 3.39Å; A73-V123 HydrophobicContact CB-CG1 4.47Å; I94-V123 HydrophobicContact CD1-CG1 4.32Å; L121-V123 HydrophobicContact CD2-CG2 4.15Å; L121-V123 HydrophobicContact CG-CG2 4.35Å
124I96.8Very high92.8Very high1 Ų154.6 Ų54.61%0.00527%0.269CS..EExtended strand (participates in β ladder)trans-123128-179.4-55.3168.2000107.7V30 T31 M33 V122 H126 V134 I137V30-I124 CarbonylContact C-O 3.6Å; V30-I124 WeakPolarHBondContact CA-O 3.46Å; T31-I124 PolarHBondContact N-O 3.27Å; T31-I124 PolarHBondContact O-N 3.03Å; M33-I124 HydrophobicContact CE-CD1 3.62Å; V122-I124 HydrophobicContact CG1-CD1 4.25Å; V122-I124 HydrophobicContact CG1-CG1 4.04Å; I124-H126 HydrophobicContact CG2-CB 4.1Å; I124-V134 HydrophobicContact CD1-CB 4.24Å; I124-V134 HydrophobicContact CD1-CG1 4.43Å; I124-V134 HydrophobicContact CD1-CG2 4.06Å; I124-I137 HydrophobicContact CD1-CB 4.2Å; I124-I137 HydrophobicContact CD1-CD1 3.59Å; I124-I137 HydrophobicContact CD1-CG1 4.4Å; I124-I137 HydrophobicContact CG1-CD1 3.94Å
125V96.1Very high92.5Very high13 Ų1354 Ų548%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-102121.8167.4-1730000106.8T28 R29 V30 F77 L90 I94T28-V125 HydrophobicContact CG2-CG1 3.48Å; T28-V125 VanDerWaalsContact CG2-CG1 3.48Å; R29-V125 WeakPolarHBondContact O-CA 3.36Å; V30-V125 HydrophobicContact CG2-CG2 4.24Å; F77-V125 HydrophobicContact CD2-CG1 3.6Å; F77-V125 HydrophobicContact CE2-CG1 4Å; F77-V125 HydrophobicContact CG-CG1 4.28Å; L90-V125 HydrophobicContact CD2-CB 3.74Å; L90-V125 HydrophobicContact CD2-CG1 3.97Å; L90-V125 HydrophobicContact CD2-CG2 4.02Å; L90-V125 HydrophobicContact CG-CG2 4.43Å; I94-V125 HydrophobicContact CD1-CG2 3.7Å
126H94.4Very high92.3Very high6 Ų653.9 Ų53.93%0.02827%0.267CS..EExtended strand (participates in β ladder)trans-148.9160.4-172.764.478.9000110.6R29 T31 I124 E130 M131R29-H126 PolarHBondContact N-O 2.74Å; R29-H126 PolarHBondContact O-N 3.11Å; T31-H126 PolarHBondContact OG1-NE2 2.9Å; I124-H126 HydrophobicContact CG2-CB 4.1Å; H126-E130 HydrophobicContact CB-CB 4.3Å; H126-M131 WeakPolarHBondContact CE1-CE 3.49Å
127D92.4Very high92.1Very high93 Ų9343 Ų4350%0.49723%0.226SC..EExtended strand (participates in β ladder)trans-70.5157.1173-73.2-25.9000111D27 D129 E130D27-D127 CarbonylContact O-C 3.55Å; D27-D127 WeakPolarHBondContact O-CA 3.03Å; D127-D129 PolarHBondContact O-N 3.36Å; D127-E130 PolarHBondContact O-N 2.84Å
128K86.2Confident91.9Very high77 Ų7743 Ų4334%0.33523%0.227SC..THydrogen-bonded Turntrans-52.4-30.8-177.266-179.3-178.7-152.80114.2D27 R29D27-K128 PolarHBondContact O-N 2.85Å; D27-K128 IonicContact OD1-NZ 2.97Å; D27-K128 PolarHBondContact OD1-NZ 3.5Å; R29-K128 VanDerWaalsContact NH1-CB 3.29Å; R29-K128 PolarHBondContact NH1-O 3.35Å
129D84.4Confident91.8Very high137 Ų13742.5 Ų42.573%0.73324%0.237SC*.THydrogen-bonded Turntrans-94.8-8.4-175.4-58.2-46.9000112.7D127 M131D127-D129 PolarHBondContact O-N 3.36Å; D129-M131 VanDerWaalsContact C-N 3.34Å; D129-M131 PolarHBondContact O-N 3.25Å; D129-M131 VanDerWaalsContact O-N 3.16Å
130E84Confident91.7Very high87 Ų8745.2 Ų45.241%0.40725%0.25SC..  trans-93.651.5-173-159-173.4-179.700112.9H126 D127 Q132 A133H126-E130 HydrophobicContact CB-CB 4.3Å; D127-E130 PolarHBondContact O-N 2.84Å; E130-Q132 VanDerWaalsContact C-N 3.26Å; E130-Q132 PolarHBondContact O-N 3Å; E130-A133 HydrophobicContact CG-CB 4.36Å
131M80.5Confident91.6Very high88 Ų8845.9 Ų45.943%0.43325%0.254SS..Hα-helixtrans-69.7-21.1179.2-70.7-83.6100.800113.5H126 D129 A133 V134 A135H126-M131 WeakPolarHBondContact CE1-CE 3.49Å; D129-M131 VanDerWaalsContact C-N 3.34Å; D129-M131 PolarHBondContact O-N 3.25Å; D129-M131 VanDerWaalsContact O-N 3.16Å; M131-A133 PolarHBondContact O-N 3.38Å; M131-V134 WeakPolarHBondContact O-CB 3.39Å; M131-V134 PolarHBondContact O-N 2.89Å; M131-A135 PolarHBondContact O-N 2.84Å
132Q85.6Confident91.6Very high127 Ų12749.7 Ų49.759%0.59327%0.274SS*.Hα-helixtrans-64.4-39.5-176.5-170.659.947.200112.1E130 V134 A135 D136E130-Q132 VanDerWaalsContact C-N 3.26Å; E130-Q132 PolarHBondContact O-N 3Å; Q132-V134 PolarHBondContact O-N 3.03Å; Q132-A135 WeakPolarHBondContact O-CB 3.47Å; Q132-A135 PolarHBondContact O-N 3.47Å; Q132-D136 PolarHBondContact NE2-OD1 3.31Å; Q132-D136 VanDerWaalsContact O-CG 3.26Å; Q132-D136 PolarHBondContact O-N 3.48Å
133A84.8Confident91.5Very high15 Ų1551.1 Ų51.112%0.12429%0.289CS..Hα-helixtrans-57-35.317700000112.4E130 M131 I137E130-A133 HydrophobicContact CG-CB 4.36Å; M131-A133 PolarHBondContact O-N 3.38Å; A133-I137 WeakPolarHBondContact O-CG1 3.39Å; A133-I137 PolarHBondContact O-N 3.33Å
134V88.3Confident91.5Very high4 Ų456 Ų562%0.02431%0.311CS..Hα-helixtrans-66.2-43.9175.4-177.20000111K17 T31 M33 I124 M131 Q132 T138K17-V134 HydrophobicContact CD-CG1 4.08Å; T31-V134 HydrophobicContact CG2-CG1 3.76Å; T31-V134 HydrophobicContact CG2-CG2 4.23Å; M33-V134 HydrophobicContact CE-CG1 3.89Å; M33-V134 HydrophobicContact SD-CG1 3.49Å; M33-V134 WeakPolarHBondContact SD-CG1 3.36Å; I124-V134 HydrophobicContact CD1-CB 4.24Å; I124-V134 HydrophobicContact CD1-CG1 4.43Å; I124-V134 HydrophobicContact CD1-CG2 4.06Å; M131-V134 WeakPolarHBondContact O-CB 3.39Å; M131-V134 PolarHBondContact O-N 2.89Å; Q132-V134 PolarHBondContact O-N 3.03Å; V134-T138 WeakPolarHBondContact O-CB 3.48Å; V134-T138 PolarHBondContact O-N 3.47Å; V134-T138 VanDerWaalsContact O-N 3.11Å; V134-T138 PolarHBondContact O-OG1 2.87Å
135A90.8Very high91.5Very high41 Ų4158.3 Ų58.334%0.33932%0.322SS..Hα-helixtrans-66.6-43.217900000111.8M131 Q132 I137 T138 A139M131-A135 PolarHBondContact O-N 2.84Å; Q132-A135 WeakPolarHBondContact O-CB 3.47Å; Q132-A135 PolarHBondContact O-N 3.47Å; A135-I137 PolarHBondContact O-N 3.4Å; A135-T138 WeakPolarHBondContact O-CB 3.39Å; A135-T138 PolarHBondContact O-N 3.13Å; A135-A139 PolarHBondContact O-N 3.14Å
136D91.6Very high91.6Very high76 Ų7658.1 Ų58.141%0.40632%0.321SS..Hα-helixtrans-61.2-47.7-178.8-64.8-15.8000111.3Q132 T138 A139 M140Q132-D136 PolarHBondContact NE2-OD1 3.31Å; Q132-D136 VanDerWaalsContact O-CG 3.26Å; Q132-D136 PolarHBondContact O-N 3.48Å; D136-T138 VanDerWaalsContact C-N 3.34Å; D136-T138 PolarHBondContact O-N 2.99Å; D136-A139 PolarHBondContact O-N 3.01Å; D136-M140 WeakPolarHBondContact O-CG 3.43Å; D136-M140 PolarHBondContact O-N 3.3Å
137I91.8Very high91.7Very high6 Ų658.2 Ų58.23%0.03132%0.322CS..Hα-helixtrans-67.1-37.9177.7-64.3168.9000110.9I53 N54 V122 I124 A133 A135 A139 M140I53-I137 HydrophobicContact CG2-CD1 3.96Å; I53-I137 HydrophobicContact CG2-CG1 4.19Å; I53-I137 HydrophobicContact CG2-CG2 4.39Å; N54-I137 WeakPolarHBondContact O-CD1 3.49Å; V122-I137 HydrophobicContact CG1-CG2 3.66Å; V122-I137 HydrophobicContact CG2-CG2 4.47Å; I124-I137 HydrophobicContact CD1-CB 4.2Å; I124-I137 HydrophobicContact CD1-CD1 3.59Å; I124-I137 HydrophobicContact CD1-CG1 4.4Å; I124-I137 HydrophobicContact CG1-CD1 3.94Å; A133-I137 WeakPolarHBondContact O-CG1 3.39Å; A133-I137 PolarHBondContact O-N 3.33Å; A135-I137 PolarHBondContact O-N 3.4Å; I137-A139 PolarHBondContact O-N 3.34Å; I137-M140 PolarHBondContact O-N 3.18Å; I137-M140 VanDerWaalsContact O-N 3.1Å
138T92.8Very high91.9Very high29 Ų2953.9 Ų53.918%0.17830%0.299CS..Hα-helixtrans-55.4-43.4174.7-55.50000110.8M33 F35 V134 A135 D136 M140 V141M33-T138 PolarHBondContact SD-OG1 2.69Å; F35-T138 HydrophobicContact CE1-CG2 4.4Å; F35-T138 HydrophobicContact CZ-CG2 4.14Å; V134-T138 WeakPolarHBondContact O-CB 3.48Å; V134-T138 PolarHBondContact O-N 3.47Å; V134-T138 VanDerWaalsContact O-N 3.11Å; V134-T138 PolarHBondContact O-OG1 2.87Å; A135-T138 WeakPolarHBondContact O-CB 3.39Å; A135-T138 PolarHBondContact O-N 3.13Å; D136-T138 VanDerWaalsContact C-N 3.34Å; D136-T138 PolarHBondContact O-N 2.99Å; T138-M140 VanDerWaalsContact C-N 3.29Å; T138-M140 PolarHBondContact O-N 3.46Å; T138-V141 PolarHBondContact O-N 3.05Å
139A94.6Very high92.2Very high89 Ų8953.8 Ų53.874%0.73630%0.302SS*.Hα-helixtrans-71.4-19.8-17900000113.9A135 D136 I137A135-A139 PolarHBondContact O-N 3.14Å; D136-A139 PolarHBondContact O-N 3.01Å; I137-A139 PolarHBondContact O-N 3.34Å
140M96.3Very high92.8Very high61 Ų6150.4 Ų50.430%0.328%0.282SS..Hα-helixtrans-80.2-18.7177.9-67.6-174.2-16200113.7N40 L44 K47 I53 D136 I137 T138N40-M140 PolarHBondContact ND2-O 2.82Å; L44-M140 HydrophobicContact CD2-CB 4.14Å; K47-M140 HydrophobicContact CD-SD 4.23Å; I53-M140 HydrophobicContact CD1-SD 4.17Å; I53-M140 HydrophobicContact CG1-SD 3.8Å; D136-M140 WeakPolarHBondContact O-CG 3.43Å; D136-M140 PolarHBondContact O-N 3.3Å; I137-M140 PolarHBondContact O-N 3.18Å; I137-M140 VanDerWaalsContact O-N 3.1Å; T138-M140 VanDerWaalsContact C-N 3.29Å; T138-M140 PolarHBondContact O-N 3.46Å
141V97.4Very high93.4Very high14 Ų1446.3 Ų46.39%0.08526%0.263CS..  trans-86.1113.2-176.6-176.30000109.9F35 V38 L44 V120 V122 T138 G143F35-V141 HydrophobicContact CB-CG1 3.96Å; F35-V141 HydrophobicContact CD1-CB 4.1Å; F35-V141 HydrophobicContact CD1-CG1 3.68Å; F35-V141 HydrophobicContact CD2-CG1 4.15Å; F35-V141 HydrophobicContact CD2-CG2 4.4Å; F35-V141 HydrophobicContact CE1-CB 4.06Å; F35-V141 HydrophobicContact CE1-CG1 4.17Å; F35-V141 HydrophobicContact CE2-CG2 4.2Å; F35-V141 HydrophobicContact CG-CB 4.37Å; F35-V141 HydrophobicContact CG-CG1 3.68Å; F35-V141 HydrophobicContact CZ-CB 4.31Å; F35-V141 HydrophobicContact CZ-CG2 4.27Å; V38-V141 HydrophobicContact CG1-CG1 4.37Å; V38-V141 HydrophobicContact CG2-CG1 4.19Å; L44-V141 HydrophobicContact CD1-CB 4.4Å; L44-V141 HydrophobicContact CD1-CG1 4.16Å; L44-V141 HydrophobicContact CD1-CG2 4Å; L44-V141 HydrophobicContact CD2-CG2 4.17Å; V120-V141 HydrophobicContact CG1-CG1 4.38Å; V122-V141 HydrophobicContact CG2-CG2 4.46Å; T138-V141 PolarHBondContact O-N 3.05Å; V141-G143 PolarHBondContact O-N 3.26Å
142D98Very high94Very high79 Ų7945.6 Ų45.642%0.42227%0.266SS..  trans-83.589.7168.9-179.45000108.7V38 K39 N40V38-D142 CarbonylContact C-O 3.32Å; V38-D142 VanDerWaalsContact CA-O 3.25Å; V38-D142 WeakPolarHBondContact CA-O 3.49Å; K39-D142 HydrophobicContact CB-CB 4.45Å; K39-D142 PolarHBondContact N-O 2.92Å; N40-D142 HydrophobicContact CB-CB 4.3Å; N40-D142 PolarHBondContact OD1-N 3.34Å
143G97.5Very high94.6Very high30 Ų3043.4 Ų43.431%0.30927%0.265SS..SBendtrans-172.5178.8-179.900000112.5V141V141-G143 PolarHBondContact O-N 3.26Å
144Q97.4Very high95.2Very high102 Ų10244.7 Ų44.748%0.47727%0.27SS..EExtended strand (participates in β ladder)trans-91.8117.8176-179.5179.12.600110.2F35 K36F35-Q144 CarbonylContact C-O 3.6Å; F35-Q144 VanDerWaalsContact CA-O 3.31Å; F35-Q144 WeakPolarHBondContact CA-O 3.47Å; K36-Q144 VanDerWaalsContact CE-CD 3.41Å; K36-Q144 HydrophobicContact CG-CB 4.08Å; K36-Q144 PolarHBondContact N-O 3.3Å; K36-Q144 PolarHBondContact O-N 3.03Å
145Q97.5Very high95.6Very high50 Ų5045.5 Ų45.523%0.23428%0.276CS..EExtended strand (participates in β ladder)trans-67.8138.2171.2-167.1169.513.100111.2M16 L34 F35M16-Q145 HydrophobicContact CB-CG 4.29Å; M16-Q145 PolarHBondContact O-NE2 3.16Å; M16-Q145 HydrophobicContact SD-CG 4.26Å; L34-Q145 CarbonylContact O-C 3.58Å; L34-Q145 WeakPolarHBondContact O-CA 3.42Å; F35-Q145 HydrophobicContact CD1-CB 3.87Å; F35-Q145 HydrophobicContact CD1-CG 4.25Å; F35-Q145 HydrophobicContact CE1-CB 3.76Å; F35-Q145 HydrophobicContact CE1-CG 3.93Å; F35-Q145 HydrophobicContact CZ-CG 4.28Å
146L97.1Very high96Very high9 Ų945.6 Ų45.65%0.04727%0.271CS..EExtended strand (participates in β ladder)trans-119.1155.6176.7-64.4-178.3000110.9M16 L34 K36 V148 L154M16-L146 VanDerWaalsContact SD-C 3.54Å; L34-L146 HydrophobicContact CB-CB 4.36Å; L34-L146 HydrophobicContact CD2-CB 4.03Å; L34-L146 HydrophobicContact CD2-CD1 4.1Å; L34-L146 HydrophobicContact CG-CB 4.16Å; L34-L146 HydrophobicContact CG-CD1 4.38Å; L34-L146 PolarHBondContact O-N 3.36Å; K36-L146 HydrophobicContact CB-CD1 3.95Å; K36-L146 HydrophobicContact CB-CG 4.42Å; K36-L146 HydrophobicContact CD-CD1 3.86Å; K36-L146 HydrophobicContact CD-CD2 3.98Å; K36-L146 HydrophobicContact CD-CG 4.2Å; K36-L146 HydrophobicContact CG-CD1 3.81Å; K36-L146 HydrophobicContact CG-CD2 4.08Å; K36-L146 HydrophobicContact CG-CG 3.91Å; L146-V148 PolarHBondContact O-N 3.46Å; L146-L154 HydrophobicContact CD1-CD1 4.38Å
147P97.4Very high96.2Very high9 Ų946 Ų466%0.05827%0.272CS..  trans-54.7135.1161.7-27.438.3000111.5K14 S15 M16 D149 Q150K14-P147 HydrophobicContact CB-CB 4.09Å; K14-P147 HydrophobicContact CB-CG 3.92Å; S15-P147 VanDerWaalsContact O-CA 3.3Å; S15-P147 WeakPolarHBondContact O-CA 3.2Å; M16-P147 HydrophobicContact CE-CG 4.22Å; M16-P147 HydrophobicContact SD-CG 4.03Å; P147-D149 WeakPolarHBondContact CB-OD1 3.28Å; P147-D149 PolarHBondContact O-N 3.12Å; P147-Q150 HydrophobicContact CB-CG 4.24Å; P147-Q150 WeakPolarHBondContact O-CB 3.44Å; P147-Q150 PolarHBondContact O-N 3.23Å
148V96Very high96.4Very high2 Ų253.4 Ų53.41%0.01231%0.307CS..G310 helixtrans-66.1-29.7-172.6-1770000112S15 L18 Q32 P66 L121 L146 Q150 V151S15-V148 PolarHBondContact O-N 3.26Å; S15-V148 VanDerWaalsContact O-N 3.11Å; L18-V148 HydrophobicContact CB-CB 4.03Å; L18-V148 HydrophobicContact CB-CG1 3.99Å; L18-V148 HydrophobicContact CB-CG2 4.03Å; L18-V148 HydrophobicContact CD2-CG1 4.25Å; Q32-V148 HydrophobicContact CB-CG1 4.07Å; Q32-V148 WeakPolarHBondContact O-CG2 3.4Å; P66-V148 HydrophobicContact CB-CG1 3.83Å; P66-V148 HydrophobicContact CG-CG1 3.68Å; P66-V148 WeakPolarHBondContact CG-O 3.28Å; L121-V148 HydrophobicContact CD1-CG1 4.31Å; L146-V148 PolarHBondContact O-N 3.46Å; V148-Q150 PolarHBondContact O-N 3.16Å; V148-Q150 VanDerWaalsContact O-N 3.14Å; V148-V151 PolarHBondContact O-N 3.3Å; V148-V151 VanDerWaalsContact O-N 3.14Å
149D93Very high96.7Very high75 Ų7557.3 Ų57.340%0.40132%0.321SS..G310 helixtrans-63.9-13.1174.865.2-15.4000113.6P147 V151P147-D149 WeakPolarHBondContact CB-OD1 3.28Å; P147-D149 PolarHBondContact O-N 3.12Å; D149-V151 VanDerWaalsContact C-N 3.3Å; D149-V151 PolarHBondContact O-N 3.41Å
150Q95.8Very high96.8Very high66 Ų6653 Ų5331%0.30829%0.286SS..G310 helixtrans-84.65174.3-63.2-177.128.300113.9L34 P147 V148 S152 S153L34-Q150 HydrophobicContact CD2-CB 4.5Å; P147-Q150 HydrophobicContact CB-CG 4.24Å; P147-Q150 WeakPolarHBondContact O-CB 3.44Å; P147-Q150 PolarHBondContact O-N 3.23Å; V148-Q150 PolarHBondContact O-N 3.16Å; V148-Q150 VanDerWaalsContact O-N 3.14Å; Q150-S152 PolarHBondContact O-N 3.4Å; Q150-S152 VanDerWaalsContact O-N 3.14Å; Q150-S153 WeakPolarHBondContact O-CB 3.35Å; Q150-S153 PolarHBondContact O-N 3.47Å; Q150-S153 PolarHBondContact O-OG 3.07Å
151V96.6Very high96.9Very high1 Ų153.7 Ų53.71%0.00629%0.285CS..G310 helixtrans-53.6-37177.1720000112.1L34 P60 L63 P66 V148 D149 S153 L154 S155L34-V151 HydrophobicContact CD2-CB 4.2Å; P60-V151 HydrophobicContact CB-CG2 4.06Å; L63-V151 HydrophobicContact CB-CG2 3.78Å; L63-V151 HydrophobicContact CD1-CG2 3.98Å; P66-V151 VanDerWaalsContact CD-CG1 3.45Å; P66-V151 HydrophobicContact CG-CG1 3.74Å; V148-V151 PolarHBondContact O-N 3.3Å; V148-V151 VanDerWaalsContact O-N 3.14Å; D149-V151 VanDerWaalsContact C-N 3.3Å; D149-V151 PolarHBondContact O-N 3.41Å; V151-S153 PolarHBondContact O-N 3.41Å; V151-S153 VanDerWaalsContact O-N 3.14Å; V151-L154 PolarHBondContact O-N 2.95Å; V151-S155 PolarHBondContact O-N 3.28Å; V151-S155 PolarHBondContact O-OG 2.93Å
152S94.7Very high96.9Very high72 Ų7261.5 Ų61.550%0.50332%0.318SS..G310 helixtrans-59.4-24.717857.60000113.9Q150 L154 S155Q150-S152 PolarHBondContact O-N 3.4Å; Q150-S152 VanDerWaalsContact O-N 3.14Å; S152-L154 VanDerWaalsContact C-N 3.28Å; S152-L154 PolarHBondContact O-N 3.25Å; S152-S155 VanDerWaalsContact CA-OG 3.26Å; S152-S155 WeakPolarHBondContact CA-OG 3.42Å; S152-S155 PolarHBondContact O-OG 3Å
153S96.3Very high96.8Very high81 Ų8159.7 Ų59.757%0.56631%0.308SS*.G310 helixtrans-75.9-14.917772.70000113.8Q150 V151Q150-S153 WeakPolarHBondContact O-CB 3.35Å; Q150-S153 PolarHBondContact O-N 3.47Å; Q150-S153 PolarHBondContact O-OG 3.07Å; V151-S153 PolarHBondContact O-N 3.41Å; V151-S153 VanDerWaalsContact O-N 3.14Å
154L97.5Very high96.8Very high42 Ų4258.4 Ų58.422%0.2229%0.294CS..THydrogen-bonded Turntrans-103.9-8.8178.5-55.5178.8000112.4L34 P60 T61 L146 V151 S152L34-L154 HydrophobicContact CD1-CD1 3.94Å; L34-L154 HydrophobicContact CD2-CD1 4.12Å; L34-L154 HydrophobicContact CG-CD1 4.27Å; P60-L154 HydrophobicContact CB-CB 4.42Å; P60-L154 HydrophobicContact CB-CD1 4.17Å; P60-L154 HydrophobicContact CG-CD1 3.95Å; T61-L154 WeakPolarHBondContact CA-O 3.35Å; L146-L154 HydrophobicContact CD1-CD1 4.38Å; V151-L154 PolarHBondContact O-N 2.95Å; S152-L154 VanDerWaalsContact C-N 3.28Å; S152-L154 PolarHBondContact O-N 3.25Å
155S97.8Very high96.7Very high22 Ų2261.9 Ų61.915%0.15431%0.308CS..  trans-67.2136.7-174-50.30000113.1L63 V151 S152 L157L63-S155 VanDerWaalsContact O-CB 3.28Å; L63-S155 WeakPolarHBondContact O-CB 3.36Å; L63-S155 PolarHBondContact O-OG 3.02Å; V151-S155 PolarHBondContact O-N 3.28Å; V151-S155 PolarHBondContact O-OG 2.93Å; S152-S155 VanDerWaalsContact CA-OG 3.26Å; S152-S155 WeakPolarHBondContact CA-OG 3.42Å; S152-S155 PolarHBondContact O-OG 3Å; S155-L157 PolarHBondContact O-N 3.16Å
156D97.9Very high96.6Very high43 Ų4360.1 Ų60.123%0.2330%0.3CS..  trans-94.985.6165.4-170.8-36.8000109T61 E158 K159 I160T61-D156 PolarHBondContact O-N 2.97Å; D156-E158 PolarHBondContact O-N 3.02Å; D156-E158 PolarHBondContact OD1-N 2.86Å; D156-K159 HydrophobicContact CB-CB 4.08Å; D156-K159 HydrophobicContact CB-CD 4.15Å; D156-K159 HydrophobicContact CB-CG 4.32Å; D156-K159 VanDerWaalsContact CG-CG 3.45Å; D156-K159 PolarHBondContact O-N 2.75Å; D156-K159 WeakPolarHBondContact OD1-CB 3.42Å; D156-K159 WeakPolarHBondContact OD1-CG 3.5Å; D156-K159 PolarHBondContact OD1-N 3.11Å; D156-K159 WeakPolarHBondContact OD2-CD 3.19Å; D156-K159 WeakPolarHBondContact OD2-CE 3.41Å; D156-K159 WeakPolarHBondContact OD2-CG 3.23Å; D156-K159 IonicContact OD2-NZ 2.68Å; D156-K159 PolarHBondContact OD2-NZ 2.8Å; D156-I160 VanDerWaalsContact O-CG1 3.28Å; D156-I160 WeakPolarHBondContact O-CG1 3.34Å; D156-I160 PolarHBondContact O-N 3.45Å
157L96.8Very high96.4Very high83 Ų8361.5 Ų61.544%0.43531%0.31SS..Hα-helixtrans-61.2-30.5-173.7-60.1-177.3000112.9S155 I160 R161 L176S155-L157 PolarHBondContact O-N 3.16Å; L157-I160 HydrophobicContact CD2-CD1 4.44Å; L157-R161 WeakPolarHBondContact O-CB 3.37Å; L157-R161 WeakPolarHBondContact O-CG 3.47Å; L157-R161 PolarHBondContact O-N 2.77Å; L157-L176 HydrophobicContact CD2-CD2 3.91Å
158E96.8Very high96Very high163 Ų16366.2 Ų66.276%0.76234%0.341SS*.Hα-helixtrans-69.3-47176.6-65.3-168.3157.400111.2D156 I160 R161 K162D156-E158 PolarHBondContact O-N 3.02Å; D156-E158 PolarHBondContact OD1-N 2.86Å; E158-I160 VanDerWaalsContact C-N 3.32Å; E158-I160 PolarHBondContact O-N 2.91Å; E158-R161 PolarHBondContact O-N 2.84Å; E158-K162 WeakPolarHBondContact O-CB 3.46Å; E158-K162 PolarHBondContact O-N 3.38Å
159K97.5Very high95.6Very high110 Ų11073.5 Ų73.548%0.47838%0.375SS..Hα-helixtrans-62.1-40.1174.5-75.2-177.8-167.91340111.8M62 D156 K162 L163M62-K159 HydrophobicContact CE-CB 4.45Å; M62-K159 HydrophobicContact SD-CB 4.06Å; D156-K159 HydrophobicContact CB-CB 4.08Å; D156-K159 HydrophobicContact CB-CD 4.15Å; D156-K159 HydrophobicContact CB-CG 4.32Å; D156-K159 VanDerWaalsContact CG-CG 3.45Å; D156-K159 PolarHBondContact O-N 2.75Å; D156-K159 WeakPolarHBondContact OD1-CB 3.42Å; D156-K159 WeakPolarHBondContact OD1-CG 3.5Å; D156-K159 PolarHBondContact OD1-N 3.11Å; D156-K159 WeakPolarHBondContact OD2-CD 3.19Å; D156-K159 WeakPolarHBondContact OD2-CE 3.41Å; D156-K159 WeakPolarHBondContact OD2-CG 3.23Å; D156-K159 IonicContact OD2-NZ 2.68Å; D156-K159 PolarHBondContact OD2-NZ 2.8Å; K159-K162 PolarHBondContact O-N 2.9Å; K159-L163 WeakPolarHBondContact O-CB 3.35Å; K159-L163 PolarHBondContact O-N 3.5Å
160I98.1Very high95.2Very high0 Ų072.9 Ų72.90%037%0.37CS..Hα-helixtrans-62.6-52.6177.4-67.6166.4000110.1M62 V64 D156 L157 E158 K162 L163 Y164 L176 V180M62-I160 HydrophobicContact CE-CG1 4.16Å; V64-I160 HydrophobicContact CG2-CD1 4.01Å; V64-I160 HydrophobicContact CG2-CG2 3.8Å; D156-I160 VanDerWaalsContact O-CG1 3.28Å; D156-I160 WeakPolarHBondContact O-CG1 3.34Å; D156-I160 PolarHBondContact O-N 3.45Å; L157-I160 HydrophobicContact CD2-CD1 4.44Å; E158-I160 VanDerWaalsContact C-N 3.32Å; E158-I160 PolarHBondContact O-N 2.91Å; I160-K162 VanDerWaalsContact C-N 3.26Å; I160-K162 PolarHBondContact O-N 3.26Å; I160-L163 PolarHBondContact O-N 3.46Å; I160-L163 VanDerWaalsContact O-N 3.15Å; I160-Y164 HydrophobicContact CG2-CD2 3.86Å; I160-Y164 HydrophobicContact CG2-CE2 4.21Å; I160-Y164 WeakPolarHBondContact O-CD2 3.34Å; I160-Y164 PolarHBondContact O-N 2.87Å; I160-L176 HydrophobicContact CG2-CD1 4.44Å; I160-L176 HydrophobicContact CG2-CD2 4.14Å; I160-V180 HydrophobicContact CG2-CG2 3.93Å
161R97.1Very high94.3Very high75 Ų7572.9 Ų72.928%0.28337%0.37SS..Hα-helixtrans-53.1-45.9176.3-80.6170.7166.956-12.1111.5L157 E158 K165 V166 E171 L176L157-R161 WeakPolarHBondContact O-CB 3.37Å; L157-R161 WeakPolarHBondContact O-CG 3.47Å; L157-R161 PolarHBondContact O-N 2.77Å; E158-R161 PolarHBondContact O-N 2.84Å; R161-K165 WeakPolarHBondContact O-CA 3.25Å; R161-K165 PolarHBondContact O-N 3.31Å; R161-V166 HydrophobicContact CG-CB 4.4Å; R161-V166 PolarHBondContact O-N 2.65Å; R161-E171 VanDerWaalsContact CZ-CD 3.44Å; R161-E171 IonicContact CZ-OE1 2.64Å; R161-E171 IonicContact CZ-OE2 3.99Å; R161-E171 IonicContact NE-OE1 2.79Å; R161-E171 PolarHBondContact NE-OE1 3.37Å; R161-E171 IonicContact NE-OE2 3.52Å; R161-E171 IonicContact NH1-OE1 2.68Å; R161-E171 IonicContact NH2-OE1 3.14Å; R161-E171 PolarHBondContact NH2-OE1 2.95Å; R161-E171 IonicContact NH2-OE2 3.69Å; R161-E171 PolarHBondContact NH2-OE2 3.01Å; R161-L176 HydrophobicContact CG-CD1 3.82Å
162K97.5Very high93.8Very high177 Ų17778.4 Ų78.477%0.7740%0.404SS*.Hα-helixtrans-63.9-43.9179.2-174.3173.7-177.9172.40112.8E158 K159 I160 K165E158-K162 WeakPolarHBondContact O-CB 3.46Å; E158-K162 PolarHBondContact O-N 3.38Å; K159-K162 PolarHBondContact O-N 2.9Å; I160-K162 VanDerWaalsContact C-N 3.26Å; I160-K162 PolarHBondContact O-N 3.26Å; K162-K165 PolarHBondContact O-N 3.47Å
163L97.4Very high93.2Very high42 Ų4280.8 Ų80.822%0.2242%0.419CS..Hα-helixtrans-66.5-45.9-179.2178.162.3000111.8M62 P100 R110 F111 K159 I160 K165M62-L163 HydrophobicContact CE-CB 4.16Å; M62-L163 HydrophobicContact CE-CD2 3.43Å; M62-L163 VanDerWaalsContact CE-CD2 3.43Å; M62-L163 HydrophobicContact CE-CG 4.44Å; P100-L163 HydrophobicContact CG-CD1 4.44Å; P100-L163 HydrophobicContact CG-CG 4.18Å; R110-L163 HydrophobicContact CB-CD2 4.41Å; R110-L163 HydrophobicContact CG-CD2 4.47Å; F111-L163 HydrophobicContact CE1-CD2 4.45Å; F111-L163 HydrophobicContact CE2-CD2 3.73Å; F111-L163 HydrophobicContact CZ-CD2 3.48Å; F111-L163 VanDerWaalsContact CZ-CD2 3.48Å; K159-L163 WeakPolarHBondContact O-CB 3.35Å; K159-L163 PolarHBondContact O-N 3.5Å; I160-L163 PolarHBondContact O-N 3.46Å; I160-L163 VanDerWaalsContact O-N 3.15Å; L163-K165 VanDerWaalsContact C-N 3.26Å; L163-K165 PolarHBondContact O-N 3.02Å
164Y97.1Very high92.9Very high3 Ų378.5 Ų78.51%0.01241%0.408CS..Hα-helixtrans-84.2-0.9-179.2-72.6-83.7000113.6L98 P100 F111 I160 V166 V180 R183 M184L98-Y164 PolarHBondContact O-OH 2.98Å; P100-Y164 HydrophobicContact CB-CD1 3.68Å; P100-Y164 HydrophobicContact CB-CE1 3.83Å; P100-Y164 HydrophobicContact CG-CD1 3.8Å; P100-Y164 HydrophobicContact CG-CE1 3.89Å; P100-Y164 HydrophobicContact CG-CG 4.39Å; F111-Y164 HydrophobicContact CE1-CE2 4.37Å; F111-Y164 WeakPolarHBondContact CE1-OH 3.42Å; F111-Y164 HydrophobicContact CZ-CE2 4.01Å; F111-Y164 AromaticContact CZ-CZ 3.84Å; F111-Y164 WeakPolarHBondContact CZ-OH 3.36Å; I160-Y164 HydrophobicContact CG2-CD2 3.86Å; I160-Y164 HydrophobicContact CG2-CE2 4.21Å; I160-Y164 WeakPolarHBondContact O-CD2 3.34Å; I160-Y164 PolarHBondContact O-N 2.87Å; Y164-V166 VanDerWaalsContact C-N 3.27Å; Y164-V166 PolarHBondContact O-N 2.89Å; Y164-V180 HydrophobicContact CD1-CB 4.47Å; Y164-V180 HydrophobicContact CD1-CG1 4.4Å; Y164-V180 HydrophobicContact CD1-CG2 4.29Å; Y164-V180 HydrophobicContact CD2-CG2 3.77Å; Y164-V180 HydrophobicContact CE1-CB 4.45Å; Y164-V180 HydrophobicContact CE1-CG1 3.9Å; Y164-V180 HydrophobicContact CE2-CG1 4.04Å; Y164-V180 HydrophobicContact CE2-CG2 4.01Å; Y164-V180 HydrophobicContact CG-CG2 3.9Å; Y164-R183 HydrophobicContact CD1-CB 3.8Å; Y164-R183 HydrophobicContact CD1-CG 4.36Å; Y164-R183 HydrophobicContact CE1-CB 4.43Å; Y164-M184 HydrophobicContact CE1-CG 4.04Å
165K95.8Very high92.7Very high175 Ų17579 Ų7976%0.76142%0.415SS*.THydrogen-bonded Turntrans54.742-179.5-55177.6179.6178.50112.3R161 K162 L163R161-K165 WeakPolarHBondContact O-CA 3.25Å; R161-K165 PolarHBondContact O-N 3.31Å; K162-K165 PolarHBondContact O-N 3.47Å; L163-K165 VanDerWaalsContact C-N 3.26Å; L163-K165 PolarHBondContact O-N 3.02Å
166V95.4Very high92.6Very high13 Ų1378.9 Ų78.98%0.07941%0.413CS..  trans-80.4120.2179.5-1750000108.7R161 Y164 E170 E171 L176 A179R161-V166 HydrophobicContact CG-CB 4.4Å; R161-V166 PolarHBondContact O-N 2.65Å; Y164-V166 VanDerWaalsContact C-N 3.27Å; Y164-V166 PolarHBondContact O-N 2.89Å; V166-E170 HydrophobicContact CG1-CB 4.31Å; V166-E171 HydrophobicContact CG1-CG 4.33Å; V166-L176 HydrophobicContact CB-CD1 4.14Å; V166-L176 HydrophobicContact CG1-CD1 4.06Å; V166-L176 HydrophobicContact CG2-CD1 3.93Å; V166-A179 HydrophobicContact CG1-CB 3.99Å; V166-A179 HydrophobicContact CG2-CB 3.77Å
167S92.3Very high92.5Very high37 Ų3777.7 Ų77.726%0.25941%0.406SS..  trans-83.9153.2176.666.90000111.8Q169 E170S167-Q169 PolarHBondContact O-N 2.92Å; S167-Q169 VanDerWaalsContact O-N 3.12Å; S167-E170 WeakPolarHBondContact CB-OE1 3.48Å; S167-E170 PolarHBondContact N-OE1 3.08Å; S167-E170 PolarHBondContact O-N 3.24Å; S167-E170 VanDerWaalsContact O-N 3.12Å; S167-E170 WeakPolarHBondContact OG-CG 3.27Å; S167-E170 PolarHBondContact OG-N 2.93Å; S167-E170 PolarHBondContact OG-OE1 3.48Å
168P88.5Confident92.4Very high108 Ų10878 Ų7870%0.70141%0.408SS*.THydrogen-bonded Turntrans-58.4-25.3174.5-25.334.6000113.9
169Q86.7Confident92.4Very high155 Ų15571 Ų7172%0.72438%0.378SS*.THydrogen-bonded Turntrans-71.7-37.7178.5-68.4160.7-3.600111.5S167 E171 T172S167-Q169 PolarHBondContact O-N 2.92Å; S167-Q169 VanDerWaalsContact O-N 3.12Å; Q169-E171 PolarHBondContact O-N 3.5Å; Q169-T172 WeakPolarHBondContact O-CB 3.39Å; Q169-T172 PolarHBondContact O-N 3Å; Q169-T172 PolarHBondContact O-OG1 3.41Å
170E84.9Confident92.3Very high62 Ų6265.7 Ų65.729%0.2936%0.355SS..G310 helixtrans-59.7-32.5176.7-76.9162.5-103.400112.2V166 S167 T172 C173 G174 R183V166-E170 HydrophobicContact CG1-CB 4.31Å; S167-E170 WeakPolarHBondContact CB-OE1 3.48Å; S167-E170 PolarHBondContact N-OE1 3.08Å; S167-E170 PolarHBondContact O-N 3.24Å; S167-E170 VanDerWaalsContact O-N 3.12Å; S167-E170 WeakPolarHBondContact OG-CG 3.27Å; S167-E170 PolarHBondContact OG-N 2.93Å; S167-E170 PolarHBondContact OG-OE1 3.48Å; E170-T172 PolarHBondContact O-N 2.81Å; E170-C173 PolarHBondContact O-N 3.34Å; E170-C173 VanDerWaalsContact O-N 3.08Å; E170-G174 PolarHBondContact O-N 3.15Å; E170-G174 VanDerWaalsContact O-N 3.14Å; E170-R183 IonicContact OE2-NH2 2.66Å
171E78.5Confident92.3Very high67 Ų6767.1 Ų67.131%0.31336%0.364SS..G310 helixtrans-71.6-11178.6-66.4173-153.100113.8R161 V166 Q169 C173 G174R161-E171 VanDerWaalsContact CZ-CD 3.44Å; R161-E171 IonicContact CZ-OE1 2.64Å; R161-E171 IonicContact CZ-OE2 3.99Å; R161-E171 IonicContact NE-OE1 2.79Å; R161-E171 PolarHBondContact NE-OE1 3.37Å; R161-E171 IonicContact NE-OE2 3.52Å; R161-E171 IonicContact NH1-OE1 2.68Å; R161-E171 IonicContact NH2-OE1 3.14Å; R161-E171 PolarHBondContact NH2-OE1 2.95Å; R161-E171 IonicContact NH2-OE2 3.69Å; R161-E171 PolarHBondContact NH2-OE2 3.01Å; V166-E171 HydrophobicContact CG1-CG 4.33Å; Q169-E171 PolarHBondContact O-N 3.5Å; E171-C173 VanDerWaalsContact C-N 3.34Å; E171-G174 CarbonylContact C-O 3.58Å; E171-G174 WeakPolarHBondContact CA-O 3.32Å
172T84.9Confident92.2Very high117 Ų11766.8 Ų66.872%0.71837%0.372SS*.G310 helixtrans-79.9-21.4171.569.30000112.3Q169 E170Q169-T172 WeakPolarHBondContact O-CB 3.39Å; Q169-T172 PolarHBondContact O-N 3Å; Q169-T172 PolarHBondContact O-OG1 3.41Å; E170-T172 PolarHBondContact O-N 2.81Å
173C83.1Confident92.1Very high121 Ų12161.9 Ų61.982%0.81835%0.349SS*.THydrogen-bonded Turntrans-108.3-13.8-175.7-63.60000113.7E170 E171E170-C173 PolarHBondContact O-N 3.34Å; E170-C173 VanDerWaalsContact O-N 3.08Å; E171-C173 VanDerWaalsContact C-N 3.34Å
174G88.9Confident92.1Very high33 Ų3360 Ų6034%0.3434%0.339SS..SBendtrans-168.5179-177.900000112.5E170 E171E170-G174 PolarHBondContact O-N 3.15Å; E170-G174 VanDerWaalsContact O-N 3.14Å; E171-G174 CarbonylContact C-O 3.58Å; E171-G174 WeakPolarHBondContact CA-O 3.32Å
175S93.6Very high92Very high54 Ų5462.8 Ų62.838%0.37836%0.362SS..  trans-85.4162177.572.60000112.3L177 D178 A179S175-L177 PolarHBondContact O-N 3.15Å; S175-L177 PolarHBondContact OG-N 3.18Å; S175-D178 WeakPolarHBondContact CB-OD2 3.37Å; S175-D178 PolarHBondContact N-OD2 3.14Å; S175-D178 PolarHBondContact O-N 2.85Å; S175-D178 VanDerWaalsContact O-N 3.16Å; S175-D178 PolarHBondContact OG-N 2.67Å; S175-D178 VanDerWaalsContact OG-N 3.15Å; S175-D178 PolarHBondContact OG-OD2 2.61Å; S175-A179 PolarHBondContact O-N 2.85Å
176L95.2Very high91.9Very high18 Ų1857.2 Ų57.29%0.09434%0.34CS..Hα-helixtrans-55.4-38.7170179.167.3000111.6V64 L157 I160 R161 V166 D178 A179 V180V64-L176 HydrophobicContact CG1-CD2 4.09Å; V64-L176 HydrophobicContact CG1-CG 4.49Å; V64-L176 HydrophobicContact CG2-CD2 3.58Å; V64-L176 HydrophobicContact CG2-CG 3.98Å; L157-L176 HydrophobicContact CD2-CD2 3.91Å; I160-L176 HydrophobicContact CG2-CD1 4.44Å; I160-L176 HydrophobicContact CG2-CD2 4.14Å; R161-L176 HydrophobicContact CG-CD1 3.82Å; V166-L176 HydrophobicContact CB-CD1 4.14Å; V166-L176 HydrophobicContact CG1-CD1 4.06Å; V166-L176 HydrophobicContact CG2-CD1 3.93Å; L176-D178 VanDerWaalsContact C-N 3.35Å; L176-A179 PolarHBondContact O-N 2.77Å; L176-V180 HydrophobicContact CD1-CG2 4.47Å; L176-V180 HydrophobicContact CG-CG2 4.39Å; L176-V180 WeakPolarHBondContact O-CG2 3.33Å; L176-V180 PolarHBondContact O-N 3.38Å
177L96.2Very high91.7Very high18 Ų1856.7 Ų56.79%0.09434%0.337CS..Hα-helixtrans-62.5-42.5179179.260.8000111.3V64 D65 F67 Q68 S175 A179 V180 V181V64-L177 HydrophobicContact CB-CD1 4.43Å; V64-L177 HydrophobicContact CG1-CB 4.21Å; D65-L177 HydrophobicContact CB-CD1 3.85Å; D65-L177 HydrophobicContact CB-CD2 3.71Å; D65-L177 HydrophobicContact CB-CG 4.37Å; F67-L177 HydrophobicContact CB-CD2 4.49Å; F67-L177 HydrophobicContact CD1-CD2 4.25Å; Q68-L177 HydrophobicContact CB-CD1 3.87Å; S175-L177 PolarHBondContact O-N 3.15Å; S175-L177 PolarHBondContact OG-N 3.18Å; L177-A179 VanDerWaalsContact C-N 3.33Å; L177-A179 PolarHBondContact O-N 2.87Å; L177-V180 PolarHBondContact O-N 2.9Å; L177-V181 HydrophobicContact CD1-CG2 4.01Å; L177-V181 HydrophobicContact CG-CG2 4.43Å; L177-V181 WeakPolarHBondContact O-CB 3.29Å; L177-V181 WeakPolarHBondContact O-CG2 3.22Å; L177-V181 PolarHBondContact O-N 3.34Å
178D95.1Very high91.3Very high90 Ų9058.2 Ų58.248%0.48134%0.342SS..Hα-helixtrans-60.6-44.1177-61.3-50.6000111.1S175 L176 C182S175-D178 WeakPolarHBondContact CB-OD2 3.37Å; S175-D178 PolarHBondContact N-OD2 3.14Å; S175-D178 PolarHBondContact O-N 2.85Å; S175-D178 VanDerWaalsContact O-N 3.16Å; S175-D178 PolarHBondContact OG-N 2.67Å; S175-D178 VanDerWaalsContact OG-N 3.15Å; S175-D178 PolarHBondContact OG-OD2 2.61Å; L176-D178 VanDerWaalsContact C-N 3.35Å; D178-C182 WeakPolarHBondContact O-CB 3.47Å; D178-C182 PolarHBondContact O-N 3.5Å
179A95.9Very high91Very high15 Ų1559.4 Ų59.412%0.12435%0.347CS..Hα-helixtrans-63.2-45.8176.700000111.6V166 S175 L176 L177 C182 R183V166-A179 HydrophobicContact CG1-CB 3.99Å; V166-A179 HydrophobicContact CG2-CB 3.77Å; S175-A179 PolarHBondContact O-N 2.85Å; L176-A179 PolarHBondContact O-N 2.77Å; L177-A179 VanDerWaalsContact C-N 3.33Å; L177-A179 PolarHBondContact O-N 2.87Å; A179-C182 PolarHBondContact O-N 3.22Å; A179-R183 VanDerWaalsContact O-CG 3.23Å; A179-R183 WeakPolarHBondContact O-CG 3.44Å; A179-R183 PolarHBondContact O-N 3.49Å
180V97.1Very high89.7Confident0 Ų059.9 Ų59.90%035%0.352CS..Hα-helixtrans-58.5-52.8177.3165.10000111.2V64 Q68 I160 Y164 L176 L177 C182 R183 M184V64-V180 HydrophobicContact CG2-CG2 4.12Å; Q68-V180 HydrophobicContact CB-CG1 4.42Å; I160-V180 HydrophobicContact CG2-CG2 3.93Å; Y164-V180 HydrophobicContact CD1-CB 4.47Å; Y164-V180 HydrophobicContact CD1-CG1 4.4Å; Y164-V180 HydrophobicContact CD1-CG2 4.29Å; Y164-V180 HydrophobicContact CD2-CG2 3.77Å; Y164-V180 HydrophobicContact CE1-CB 4.45Å; Y164-V180 HydrophobicContact CE1-CG1 3.9Å; Y164-V180 HydrophobicContact CE2-CG1 4.04Å; Y164-V180 HydrophobicContact CE2-CG2 4.01Å; Y164-V180 HydrophobicContact CG-CG2 3.9Å; L176-V180 HydrophobicContact CD1-CG2 4.47Å; L176-V180 HydrophobicContact CG-CG2 4.39Å; L176-V180 WeakPolarHBondContact O-CG2 3.33Å; L176-V180 PolarHBondContact O-N 3.38Å; L177-V180 PolarHBondContact O-N 2.9Å; V180-C182 VanDerWaalsContact C-N 3.32Å; V180-C182 PolarHBondContact O-N 3.35Å; V180-R183 PolarHBondContact O-N 3.4Å; V180-M184 HydrophobicContact CG1-SD 3.83Å; V180-M184 VanDerWaalsContact O-CG 3.32Å; V180-M184 WeakPolarHBondContact O-CG 3.31Å; V180-M184 PolarHBondContact O-N 2.98Å
181V96.9Very high89.9Confident30 Ų3059.8 Ų59.818%0.18236%0.355CS..Hα-helixtrans-62.4-40.9-179.4170.80000111F67 Q68 V71 L177 M184 A185F67-V181 HydrophobicContact CD1-CG2 4.31Å; F67-V181 HydrophobicContact CE1-CG2 4.3Å; Q68-V181 HydrophobicContact CB-CG2 4.2Å; V71-V181 HydrophobicContact CG1-CG1 4.36Å; V71-V181 HydrophobicContact CG2-CG1 4.39Å; L177-V181 HydrophobicContact CD1-CG2 4.01Å; L177-V181 HydrophobicContact CG-CG2 4.43Å; L177-V181 WeakPolarHBondContact O-CB 3.29Å; L177-V181 WeakPolarHBondContact O-CG2 3.22Å; L177-V181 PolarHBondContact O-N 3.34Å; V181-M184 WeakPolarHBondContact O-CB 3.36Å; V181-M184 PolarHBondContact O-N 2.79Å; V181-A185 WeakPolarHBondContact O-CB 3.41Å; V181-A185 PolarHBondContact O-N 3.22Å
182C95.3Very high90.5Very high68 Ų6859.4 Ų59.446%0.45936%0.357SS..Hα-helixtrans-58.7-49.5175.6-177.40000111.6D178 A179 V180 M184 A185 I186D178-C182 WeakPolarHBondContact O-CB 3.47Å; D178-C182 PolarHBondContact O-N 3.5Å; A179-C182 PolarHBondContact O-N 3.22Å; V180-C182 VanDerWaalsContact C-N 3.32Å; V180-C182 PolarHBondContact O-N 3.35Å; C182-M184 VanDerWaalsContact C-N 3.33Å; C182-M184 PolarHBondContact O-N 3.13Å; C182-A185 WeakPolarHBondContact O-CB 3.35Å; C182-A185 PolarHBondContact O-N 2.83Å; C182-A185 VanDerWaalsContact O-N 3.13Å; C182-I186 WeakPolarHBondContact O-CG1 3.24Å; C182-I186 PolarHBondContact O-N 2.75Å
183R96.3Very high90.9Very high73 Ų7356.2 Ų56.228%0.27534%0.337SS..Hα-helixtrans-62.9-36.9178.4-65.3-65.2-178.6-156.5-6112.5P100 Y164 E170 A179 V180 A185 K187P100-R183 HydrophobicContact CB-CB 4.16Å; Y164-R183 HydrophobicContact CD1-CB 3.8Å; Y164-R183 HydrophobicContact CD1-CG 4.36Å; Y164-R183 HydrophobicContact CE1-CB 4.43Å; E170-R183 IonicContact OE2-NH2 2.66Å; A179-R183 VanDerWaalsContact O-CG 3.23Å; A179-R183 WeakPolarHBondContact O-CG 3.44Å; A179-R183 PolarHBondContact O-N 3.49Å; V180-R183 PolarHBondContact O-N 3.4Å; R183-A185 VanDerWaalsContact C-N 3.34Å; R183-K187 PolarHBondContact O-N 2.79Å
184M97.1Very high91.3Very high3 Ų352.4 Ų52.42%0.01531%0.309CS..Hα-helixtrans-63.6-39.4173.5-70.2166.851.800112.4Q68 V71 A72 K75 L98 Y164 V180 V181 C182 K187Q68-M184 HydrophobicContact CB-SD 4.29Å; Q68-M184 WeakPolarHBondContact O-CE 3.42Å; V71-M184 HydrophobicContact CB-CE 4.43Å; V71-M184 HydrophobicContact CG1-CE 4.25Å; A72-M184 HydrophobicContact CB-CE 3.85Å; K75-M184 PolarHBondContact NZ-O 3.06Å; L98-M184 HydrophobicContact CD2-CE 4.19Å; L98-M184 WeakPolarHBondContact O-CG 3.4Å; Y164-M184 HydrophobicContact CE1-CG 4.04Å; V180-M184 HydrophobicContact CG1-SD 3.83Å; V180-M184 VanDerWaalsContact O-CG 3.32Å; V180-M184 WeakPolarHBondContact O-CG 3.31Å; V180-M184 PolarHBondContact O-N 2.98Å; V181-M184 WeakPolarHBondContact O-CB 3.36Å; V181-M184 PolarHBondContact O-N 2.79Å; C182-M184 VanDerWaalsContact C-N 3.33Å; C182-M184 PolarHBondContact O-N 3.13Å; M184-K187 WeakPolarHBondContact O-CG 3.48Å
185A94.1Very high91.5Very high61 Ų6153.6 Ų53.650%0.50431%0.307SS..Hα-helixtrans-69.6-44.7-178.400000111.9V181 C182 R183 K187V181-A185 WeakPolarHBondContact O-CB 3.41Å; V181-A185 PolarHBondContact O-N 3.22Å; C182-A185 WeakPolarHBondContact O-CB 3.35Å; C182-A185 PolarHBondContact O-N 2.83Å; C182-A185 VanDerWaalsContact O-N 3.13Å; R183-A185 VanDerWaalsContact C-N 3.34Å; A185-K187 PolarHBondContact O-N 3.18Å
186I93.4Very high91.3Very high58 Ų5853.6 Ų53.630%0.29730%0.302SS..Hα-helixtrans-83.5-5.2-174.869.2179.7000114.4C182 D188 V189 M190C182-I186 WeakPolarHBondContact O-CG1 3.24Å; C182-I186 PolarHBondContact O-N 2.75Å; I186-D188 PolarHBondContact O-N 3.21Å; I186-V189 PolarHBondContact O-N 3.45Å; I186-M190 HydrophobicContact CD1-CG 4.29Å; I186-M190 HydrophobicContact CD1-SD 3.48Å; I186-M190 WeakPolarHBondContact CD1-SD 3.37Å; I186-M190 HydrophobicContact CG1-CG 4.2Å; I186-M190 HydrophobicContact CG1-SD 3.69Å; I186-M190 PolarHBondContact O-N 2.69Å
187K91.6Very high91Very high2 Ų256.1 Ų56.11%0.00932%0.317CS..THydrogen-bonded Turntrans-55.7-24.4-174.780.9177.8-173.7166.50114.6F96 S99 N102 R183 M184 A185F96-K187 VanDerWaalsContact CD1-NZ 3.31Å; F96-K187 PolarHBondContact O-NZ 3.02Å; S99-K187 WeakPolarHBondContact O-CD 3.28Å; N102-K187 PolarHBondContact ND2-O 2.94Å; R183-K187 PolarHBondContact O-N 2.79Å; M184-K187 WeakPolarHBondContact O-CG 3.48Å; A185-K187 PolarHBondContact O-N 3.18Å
188D83.3Confident90.7Very high69 Ų6959.1 Ų59.137%0.36933%0.334SS..THydrogen-bonded Turntrans-89.1-8.2-177.8-60.6-54.8000112.8K75 K86 I186K75-D188 VanDerWaalsContact CE-OD2 3.25Å; K75-D188 WeakPolarHBondContact CE-OD2 3.47Å; K75-D188 IonicContact NZ-OD2 3.7Å; K75-D188 PolarHBondContact NZ-OD2 3.27Å; K86-D188 IonicContact NZ-OD1 2.85Å; K86-D188 PolarHBondContact NZ-OD1 3.45Å; I186-D188 PolarHBondContact O-N 3.21Å
189V82.8Confident90.3Very high134 Ų13456.5 Ų56.581%0.81232%0.322SS*.THydrogen-bonded Turntrans-106.6-17.8179-171.20000111.6I186I186-V189 PolarHBondContact O-N 3.45Å
190M59.8Low89.8Confident165 Ų16560.3 Ų60.381%0.81334%0.34SS*.  trans-91.10177.2-64.2-173.770.900112.5I186I186-M190 HydrophobicContact CD1-CG 4.29Å; I186-M190 HydrophobicContact CD1-SD 3.48Å; I186-M190 WeakPolarHBondContact CD1-SD 3.37Å; I186-M190 HydrophobicContact CG1-CG 4.2Å; I186-M190 HydrophobicContact CG1-SD 3.69Å; I186-M190 PolarHBondContact O-N 2.69Å

Retrieved 190 of 190 residues in 225.3 ms (Link to these results)

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