A0A087X5L7_POEFO Loading...

Ras protein-specific guanine nucleotide-releasing factor 2b

AlphaFold DB , UniProt , Accession A0A087X5L7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,245 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.3Very low60.1Low153 Ų153114.6 Ų114.675%0.75456%0.557SS**  0146.30-68.7170.1170.300108.6K3M1-K3 PolarHBondContact O-N 3.02Å
2Q52.5Low61.4Low30 Ų30106.2 Ų106.214%0.1452%0.52CS..  trans-66123.6168.7-68.3167.3-48.200108.7S4 V5 L67Q2-S4 PolarHBondContact O-N 3.11Å; Q2-V5 HydrophobicContact CB-CG2 4.39Å; Q2-L67 PolarHBondContact NE2-O 3.26Å
3K48.1Very low63Low220 Ų220101.5 Ų101.596%0.95750%0.498SS*.THydrogen-bonded Turntrans-73.4-8.4-173.5-74.4-173.2175.6-178.90114.4M1M1-K3 PolarHBondContact O-N 3.02Å
4S47.5Very low64.5Low82 Ų82103.9 Ų103.957%0.57351%0.505SS*.THydrogen-bonded Turntrans-89.3-29.9-174.844.60000114.6Q2 R6Q2-S4 PolarHBondContact O-N 3.11Å; S4-R6 PolarHBondContact O-N 3.44Å
5V53.1Low65.9Low51 Ų51100.3 Ų100.331%0.30949%0.489SS..  trans-91.9100.4-167.6-1610000111.5Q2 Y7 L67Q2-V5 HydrophobicContact CB-CG2 4.39Å; V5-Y7 HydrophobicContact CB-CD2 4.41Å; V5-Y7 HydrophobicContact CB-CE2 4.15Å; V5-Y7 HydrophobicContact CG1-CD2 3.77Å; V5-Y7 HydrophobicContact CG1-CE2 3.31Å; V5-Y7 PolarHBondContact O-N 3.03Å; V5-Y7 VanDerWaalsContact O-N 3.13Å; V5-L67 HydrophobicContact CG2-CB 4.49Å; V5-L67 HydrophobicContact CG2-CD2 4.23Å
6R54Low67.1Low249 Ų24994.1 Ų94.194%0.9446%0.459SS*.  trans-80.581.6177.4-68.8-173.5-179.6-176.21.4112S4S4-R6 PolarHBondContact O-N 3.44Å
7Y60.2Low68.2Low92 Ų9292.9 Ų92.936%0.36146%0.458SS..  trans-76.6144.5163.3-69.4-72000111.5V5 E9V5-Y7 HydrophobicContact CB-CD2 4.41Å; V5-Y7 HydrophobicContact CB-CE2 4.15Å; V5-Y7 HydrophobicContact CG1-CD2 3.77Å; V5-Y7 HydrophobicContact CG1-CE2 3.31Å; V5-Y7 PolarHBondContact O-N 3.03Å; V5-Y7 VanDerWaalsContact O-N 3.13Å; Y7-E9 PolarHBondContact O-N 3.35Å
8N69.1Low69.3Low102 Ų10288.8 Ų88.855%0.54544%0.439SS..  trans-64.1125.6161.8177.4-10.6000108.3G10 H11 A12N8-G10 PolarHBondContact O-N 2.66Å; N8-G10 VanDerWaalsContact O-N 3.17Å; N8-G10 PolarHBondContact OD1-N 2.93Å; N8-G10 VanDerWaalsContact OD1-N 3.15Å; N8-H11 HydrophobicContact CB-CB 4.27Å; N8-H11 PolarHBondContact O-N 3.3Å; N8-A12 PolarHBondContact O-N 2.79Å
9E73.8Confident70.1Confident119 Ų11984.2 Ų84.256%0.55642%0.416SS*.Hα-helixtrans-55.7-36.3-175.5-167.2-177.3160.300112Y7 A12 L13 R61Y7-E9 PolarHBondContact O-N 3.35Å; E9-A12 PolarHBondContact O-N 3.27Å; E9-L13 HydrophobicContact CG-CD1 4.21Å; E9-L13 WeakPolarHBondContact O-CB 3.43Å; E9-L13 VanDerWaalsContact O-CG 3.3Å; E9-L13 WeakPolarHBondContact O-CG 3.38Å; E9-L13 PolarHBondContact O-N 3.26Å; E9-R61 IonicContact OE1-CZ 3.72Å; E9-R61 IonicContact OE1-NH1 3.18Å; E9-R61 PolarHBondContact OE1-NH1 3.09Å
10G76Confident70.7Confident42 Ų4283.8 Ų83.843%0.43341%0.409SS..Hα-helixtrans-64.4-39.9175.100000113.5N8 F14N8-G10 PolarHBondContact O-N 2.66Å; N8-G10 VanDerWaalsContact O-N 3.17Å; N8-G10 PolarHBondContact OD1-N 2.93Å; N8-G10 VanDerWaalsContact OD1-N 3.15Å; G10-F14 WeakPolarHBondContact O-CB 3.45Å; G10-F14 PolarHBondContact O-N 2.94Å
11H78.1Confident71.3Confident121 Ų12186.7 Ų86.756%0.5642%0.42SS*.Hα-helixtrans-72.4-38.8175.2-70.1-177000111.7N8 L13 F14 L15N8-H11 HydrophobicContact CB-CB 4.27Å; N8-H11 PolarHBondContact O-N 3.3Å; H11-L13 VanDerWaalsContact C-N 3.33Å; H11-L13 PolarHBondContact O-N 2.93Å; H11-F14 PolarHBondContact O-N 2.94Å; H11-L15 WeakPolarHBondContact O-CB 3.13Å; H11-L15 WeakPolarHBondContact O-CG 3.24Å; H11-L15 PolarHBondContact O-N 3.44Å
12A76.1Confident73Confident13 Ų1385.4 Ų85.411%0.10741%0.412CS..Hα-helixtrans-61.3-42.2174.900000111.6N8 E9 S16 I65N8-A12 PolarHBondContact O-N 2.79Å; E9-A12 PolarHBondContact O-N 3.27Å; A12-S16 VanDerWaalsContact O-CB 3.31Å; A12-S16 WeakPolarHBondContact O-CB 3.22Å; A12-S16 PolarHBondContact O-N 2.71Å; A12-I65 HydrophobicContact CB-CD1 3.89Å
13L82.1Confident74.4Confident46 Ų4684.1 Ų84.124%0.24141%0.407CS..Hα-helixtrans-65.1-48.4174.1-73.9168.4000111.7E9 H11 L15 S16 V17 R61E9-L13 HydrophobicContact CG-CD1 4.21Å; E9-L13 WeakPolarHBondContact O-CB 3.43Å; E9-L13 VanDerWaalsContact O-CG 3.3Å; E9-L13 WeakPolarHBondContact O-CG 3.38Å; E9-L13 PolarHBondContact O-N 3.26Å; H11-L13 VanDerWaalsContact C-N 3.33Å; H11-L13 PolarHBondContact O-N 2.93Å; L13-L15 PolarHBondContact O-N 2.71Å; L13-S16 PolarHBondContact O-N 2.94Å; L13-S16 PolarHBondContact O-OG 3.2Å; L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3Å; L13-V17 VanDerWaalsContact O-N 3.08Å; L13-R61 HydrophobicContact CD2-CB 4.16Å; L13-R61 HydrophobicContact CD2-CG 3.76Å
14F84.8Confident76.2Confident135 Ų13578.5 Ų78.559%0.59239%0.391SS*.Hα-helixtrans-56.8-51.8176.6176.5-99.6000112.2G10 H11 S16 V17 V18G10-F14 WeakPolarHBondContact O-CB 3.45Å; G10-F14 PolarHBondContact O-N 2.94Å; H11-F14 PolarHBondContact O-N 2.94Å; F14-S16 VanDerWaalsContact C-N 3.27Å; F14-S16 PolarHBondContact O-N 2.84Å; F14-V17 WeakPolarHBondContact O-CB 3.11Å; F14-V17 PolarHBondContact O-N 3.29Å; F14-V18 HydrophobicContact CD1-CG2 4.23Å; F14-V18 HydrophobicContact CE1-CG2 3.77Å; F14-V18 HydrophobicContact CE2-CG2 4.25Å; F14-V18 HydrophobicContact CZ-CG2 3.78Å; F14-V18 PolarHBondContact O-N 3.42Å
15L84.7Confident78.2Confident50 Ų5076 Ų7626%0.26237%0.37SS..Hα-helixtrans-61.9-33.9177.7-70172.2000112.1H11 L13 V17 V18 A19 Y47 F52H11-L15 WeakPolarHBondContact O-CB 3.13Å; H11-L15 WeakPolarHBondContact O-CG 3.24Å; H11-L15 PolarHBondContact O-N 3.44Å; L13-L15 PolarHBondContact O-N 2.71Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.14Å; L15-V18 PolarHBondContact O-N 2.65Å; L15-A19 WeakPolarHBondContact O-CB 3.31Å; L15-A19 PolarHBondContact O-N 3.41Å; L15-Y47 HydrophobicContact CD2-CE1 4.24Å; L15-F52 HydrophobicContact CB-CE2 4.48Å; L15-F52 HydrophobicContact CB-CZ 3.75Å
16S85.6Confident80Confident1 Ų178.4 Ų78.41%0.00737%0.374CS..Hα-helixtrans-66.9-31.6174.580.30000113.1A12 L13 F14 R20 F52A12-S16 VanDerWaalsContact O-CB 3.31Å; A12-S16 WeakPolarHBondContact O-CB 3.22Å; A12-S16 PolarHBondContact O-N 2.71Å; L13-S16 PolarHBondContact O-N 2.94Å; L13-S16 PolarHBondContact O-OG 3.2Å; F14-S16 VanDerWaalsContact C-N 3.27Å; F14-S16 PolarHBondContact O-N 2.84Å; S16-R20 WeakPolarHBondContact O-CG 3.13Å; S16-R20 PolarHBondContact O-N 3.43Å; S16-F52 VanDerWaalsContact CB-CD1 3.46Å
17V85.5Confident81.7Confident74 Ų7467.2 Ų67.245%0.44834%0.335SS..Hα-helixtrans-74.8-40.5174.5173.90000111L13 F14 L15 R20 K21L13-V17 WeakPolarHBondContact O-CG2 3.46Å; L13-V17 PolarHBondContact O-N 3Å; L13-V17 VanDerWaalsContact O-N 3.08Å; F14-V17 WeakPolarHBondContact O-CB 3.11Å; F14-V17 PolarHBondContact O-N 3.29Å; L15-V17 VanDerWaalsContact C-N 3.32Å; L15-V17 PolarHBondContact O-N 3.14Å; V17-R20 PolarHBondContact O-N 3.04Å; V17-K21 PolarHBondContact O-N 2.75Å
18V87.2Confident83Confident19 Ų1967.3 Ų67.312%0.11534%0.336CS..Hα-helixtrans-62.5-49.7172.7176.40000110.1F14 L15 R20 K21 E22 Y47F14-V18 HydrophobicContact CD1-CG2 4.23Å; F14-V18 HydrophobicContact CE1-CG2 3.77Å; F14-V18 HydrophobicContact CE2-CG2 4.25Å; F14-V18 HydrophobicContact CZ-CG2 3.78Å; F14-V18 PolarHBondContact O-N 3.42Å; L15-V18 PolarHBondContact O-N 2.65Å; V18-R20 PolarHBondContact O-N 2.99Å; V18-R20 VanDerWaalsContact O-N 3.14Å; V18-K21 PolarHBondContact O-N 3.25Å; V18-E22 HydrophobicContact CG1-CB 4.33Å; V18-E22 PolarHBondContact O-N 3.26Å; V18-Y47 HydrophobicContact CG1-CD2 4.2Å; V18-Y47 HydrophobicContact CG1-CE1 4.23Å; V18-Y47 HydrophobicContact CG1-CE2 3.66Å
19A85.7Confident83.9Confident0 Ų062.6 Ų62.60%031%0.31CS..Hα-helixtrans-55.6-34.6177.500000113L15 G23 R26 A45 Y47 F52L15-A19 WeakPolarHBondContact O-CB 3.31Å; L15-A19 PolarHBondContact O-N 3.41Å; A19-G23 WeakPolarHBondContact O-CA 3.34Å; A19-G23 PolarHBondContact O-N 2.96Å; A19-R26 WeakPolarHBondContact O-CD 3.25Å; A19-A45 HydrophobicContact CB-CB 4.09Å; A19-Y47 VanDerWaalsContact CB-CB 3.49Å; A19-Y47 HydrophobicContact CB-CG 4.27Å; A19-F52 HydrophobicContact CB-CD2 3.63Å; A19-F52 HydrophobicContact CB-CE2 3.86Å; A19-F52 HydrophobicContact CB-CG 4.46Å
20R82.5Confident84.5Confident76 Ų7657.8 Ų57.829%0.28729%0.29SS..Hα-helixtrans-70.9-29.8174.5-79.1-173.756.7176.9-0.7114.4S16 V17 V18 R26 A45 F54 E57 S59S16-R20 WeakPolarHBondContact O-CG 3.13Å; S16-R20 PolarHBondContact O-N 3.43Å; V17-R20 PolarHBondContact O-N 3.04Å; V18-R20 PolarHBondContact O-N 2.99Å; V18-R20 VanDerWaalsContact O-N 3.14Å; R20-R26 VanDerWaalsContact O-CD 3.27Å; R20-R26 WeakPolarHBondContact O-CD 3.11Å; R20-R26 PolarHBondContact O-NH1 2.97Å; R20-A45 HydrophobicContact CG-CB 4.42Å; R20-F54 VanDerWaalsContact CD-CZ 3.48Å; R20-F54 HydrophobicContact CG-CE1 4.36Å; R20-F54 HydrophobicContact CG-CE2 3.82Å; R20-F54 HydrophobicContact CG-CZ 3.65Å; R20-E57 PolarHBondContact NH1-O 3.2Å; R20-E57 PolarHBondContact NH2-O 3.05Å; R20-S59 PolarHBondContact NH1-O 3.18Å
21K82.5Confident85.1Confident145 Ų14556.8 Ų56.863%0.6327%0.274SS*.Hα-helixtrans-89.5-40.3178.6-70.4-177175.8-175.40113.7V17 V18 R26V17-K21 PolarHBondContact O-N 2.75Å; V18-K21 PolarHBondContact O-N 3.25Å; K21-R26 VanDerWaalsContact O-CZ 3.3Å; K21-R26 PolarHBondContact O-NH1 2.94Å; K21-R26 PolarHBondContact O-NH2 3.35Å
22E83.4Confident85.3Confident126 Ų12653.7 Ų53.759%0.58926%0.259SS*.Hα-helixtrans-1317.4-163.2-72.5152.4-134.900112.1V18V18-E22 HydrophobicContact CG1-CB 4.33Å; V18-E22 PolarHBondContact O-N 3.26Å
23G82.3Confident85.2Confident3 Ų355.7 Ų55.73%0.03127%0.269CS..  trans-59.9136.6175.400000113.5A19 K25 R26 L46A19-G23 WeakPolarHBondContact O-CA 3.34Å; A19-G23 PolarHBondContact O-N 2.96Å; G23-K25 VanDerWaalsContact C-N 3.3Å; G23-K25 PolarHBondContact O-N 3.1Å; G23-R26 PolarHBondContact O-NE 2.88Å; G23-R26 PolarHBondContact O-NH2 2.87Å; G23-L46 CarbonylContact C-O 3.54Å; G23-L46 WeakPolarHBondContact CA-O 3.49Å
24T86.9Confident84.3Confident103 Ų10357.3 Ų57.363%0.63229%0.289SS*.SBendtrans-51.9-43.6-178.7-41.20000112.5L46T24-L46 PolarHBondContact N-O 2.96Å
25K89.4Confident83.1Confident29 Ų2959.5 Ų59.513%0.12630%0.302CS..EExtended strand (participates in β ladder)trans-141.9142171-163.3166.1169.970.80110.4G23 L46 E119 W120 A123G23-K25 VanDerWaalsContact C-N 3.3Å; G23-K25 PolarHBondContact O-N 3.1Å; K25-L46 PolarHBondContact O-N 3Å; K25-E119 HydrophobicContact CD-CB 4.25Å; K25-E119 IonicContact NZ-OE2 2.7Å; K25-E119 PolarHBondContact NZ-OE2 2.99Å; K25-W120 HydrophobicContact CB-CE3 4.17Å; K25-W120 HydrophobicContact CB-CH2 4.18Å; K25-W120 HydrophobicContact CB-CZ3 3.91Å; K25-W120 HydrophobicContact CD-CD2 3.69Å; K25-W120 HydrophobicContact CD-CE3 3.91Å; K25-W120 HydrophobicContact CD-CG 3.97Å; K25-W120 HydrophobicContact CD-CZ3 4.45Å; K25-W120 HydrophobicContact CG-CD2 3.96Å; K25-W120 HydrophobicContact CG-CE3 3.98Å; K25-W120 HydrophobicContact CG-CH2 4.04Å; K25-W120 HydrophobicContact CG-CZ2 4Å; K25-W120 HydrophobicContact CG-CZ3 4.02Å; K25-W120 WeakPolarHBondContact O-CH2 3.35Å; K25-A123 HydrophobicContact CB-CB 4.17Å; K25-A123 HydrophobicContact CD-CB 4.06Å
26R90.8Very high81.9Confident102 Ų10263 Ų6339%0.38532%0.321SS..EExtended strand (participates in β ladder)trans-146.1147.2-172.4-83.6167.7-82.7167.8-4.7109.3A19 R20 K21 G23 F43 F44 A45A19-R26 WeakPolarHBondContact O-CD 3.25Å; R20-R26 VanDerWaalsContact O-CD 3.27Å; R20-R26 WeakPolarHBondContact O-CD 3.11Å; R20-R26 PolarHBondContact O-NH1 2.97Å; K21-R26 VanDerWaalsContact O-CZ 3.3Å; K21-R26 PolarHBondContact O-NH1 2.94Å; K21-R26 PolarHBondContact O-NH2 3.35Å; G23-R26 PolarHBondContact O-NE 2.88Å; G23-R26 PolarHBondContact O-NH2 2.87Å; R26-F43 HydrophobicContact CB-CZ 4.17Å; R26-F43 HydrophobicContact CG-CZ 4.48Å; R26-F44 WeakPolarHBondContact CA-O 3.43Å; R26-A45 HydrophobicContact CG-CB 3.79Å
27G88.6Confident81.2Confident13 Ų1366.6 Ų66.613%0.13435%0.346CS..EExtended strand (participates in β ladder)trans161.1179-179.700000112.6F44G27-F44 PolarHBondContact N-O 2.89Å; G27-F44 PolarHBondContact O-N 2.99Å
28Y87.9Confident80.6Confident95 Ų9572.1 Ų72.137%0.37336%0.358SS..EExtended strand (participates in β ladder)trans-86.6138.9171.9-71.6-88.9000110E41 K42 F43 E57Y28-E41 HydrophobicContact CD1-CG 3.83Å; Y28-E41 HydrophobicContact CG-CG 4.38Å; Y28-K42 WeakPolarHBondContact CA-O 3.35Å; Y28-F43 HydrophobicContact CD1-CB 4.14Å; Y28-F43 HydrophobicContact CD1-CD2 4.3Å; Y28-F43 AromaticContact CD2-CD2 3.94Å; Y28-F43 HydrophobicContact CD2-CD2 3.94Å; Y28-F43 HydrophobicContact CE1-CB 3.96Å; Y28-F43 HydrophobicContact CE1-CD2 4.17Å; Y28-F43 AromaticContact CE2-CD2 3.76Å; Y28-F43 HydrophobicContact CE2-CD2 3.76Å; Y28-F43 HydrophobicContact CE2-CE2 4.32Å; Y28-F43 HydrophobicContact CG-CD2 4.21Å; Y28-F43 AromaticContact CZ-CD2 3.9Å; Y28-E57 WeakPolarHBondContact OH-CB 3.36Å; Y28-E57 PolarHBondContact OH-N 2.98Å
29L88.3Confident80.4Confident2 Ų274.5 Ų74.51%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-135137.4172.4-66.8173.5000109.5K31 K42 F44 F95 L109 T111 W120L29-K31 PolarHBondContact O-N 2.85Å; L29-K42 PolarHBondContact N-O 3.21Å; L29-K42 PolarHBondContact O-N 3.38Å; L29-F44 HydrophobicContact CB-CD2 3.63Å; L29-F44 HydrophobicContact CB-CE2 3.73Å; L29-F44 HydrophobicContact CB-CG 4.48Å; L29-F44 HydrophobicContact CD1-CB 4.17Å; L29-F44 HydrophobicContact CD1-CD1 4.45Å; L29-F44 HydrophobicContact CD1-CD2 3.96Å; L29-F44 HydrophobicContact CD1-CE2 4.38Å; L29-F44 HydrophobicContact CD1-CG 3.97Å; L29-F44 HydrophobicContact CG-CD2 4.12Å; L29-F95 HydrophobicContact CD1-CZ 4.01Å; L29-F95 HydrophobicContact CD2-CE1 4.23Å; L29-F95 HydrophobicContact CD2-CZ 4.26Å; L29-L109 HydrophobicContact CD1-CD1 4.14Å; L29-T111 HydrophobicContact CD2-CG2 3.42Å; L29-T111 VanDerWaalsContact CD2-CG2 3.42Å; L29-W120 HydrophobicContact CD1-CD2 4.03Å; L29-W120 HydrophobicContact CD1-CE3 4.38Å; L29-W120 HydrophobicContact CD1-CG 4.43Å; L29-W120 HydrophobicContact CD1-CH2 4.48Å; L29-W120 HydrophobicContact CD1-CZ2 4.15Å; L29-W120 HydrophobicContact CD2-CG 4.32Å; L29-W120 HydrophobicContact CG-CZ2 4.37Å
30S87.2Confident80.2Confident18 Ų1876.2 Ų76.213%0.12638%0.378CS..EExtended strand (participates in β ladder)trans-74.4116.9168.6-97.10000109.2W39 L109 R110S30-W39 VanDerWaalsContact O-CZ3 3.32Å; S30-W39 WeakPolarHBondContact O-CZ3 3.47Å; S30-L109 CarbonylContact O-C 3.6Å; S30-L109 WeakPolarHBondContact O-CA 3.36Å; S30-R110 VanDerWaalsContact CB-NE 3.33Å; S30-R110 PolarHBondContact N-O 2.73Å; S30-R110 VanDerWaalsContact N-O 3.1Å; S30-R110 PolarHBondContact O-N 3.05Å
31K87Confident80.4Confident22 Ų2278.1 Ų78.110%0.09639%0.39CS..EExtended strand (participates in β ladder)trans-106.2135.9177.7173.1-179.2176.4171.40111L29 W39 S40 K42 F44 Y53 Y66 L107 L109L29-K31 PolarHBondContact O-N 2.85Å; K31-W39 WeakPolarHBondContact O-CA 3.37Å; K31-S40 PolarHBondContact N-O 2.75Å; K31-S40 PolarHBondContact O-N 2.96Å; K31-S40 PolarHBondContact O-OG 2.86Å; K31-K42 HydrophobicContact CB-CG 4.46Å; K31-F44 HydrophobicContact CB-CE2 4.33Å; K31-F44 HydrophobicContact CB-CZ 4.23Å; K31-F44 HydrophobicContact CD-CZ 4.1Å; K31-Y53 PolarHBondContact NZ-OH 2.69Å; K31-Y66 PolarHBondContact NZ-OH 3.48Å; K31-L107 HydrophobicContact CD-CD1 4.11Å; K31-L107 HydrophobicContact CG-CD1 4.06Å; K31-L109 HydrophobicContact CB-CD2 3.84Å; K31-L109 HydrophobicContact CG-CD2 4.09Å
32K82.9Confident80.7Confident56 Ų5672.5 Ų72.524%0.24337%0.365CS..EExtended strand (participates in β ladder)trans-80.7138.8174.7-161.7-177.6179.9-174.70111.8W39 E108K32-W39 HydrophobicContact CB-CD2 4.05Å; K32-W39 HydrophobicContact CB-CE3 3.88Å; K32-W39 HydrophobicContact CB-CH2 3.94Å; K32-W39 HydrophobicContact CB-CZ2 4.07Å; K32-W39 HydrophobicContact CB-CZ3 3.83Å; K32-W39 HydrophobicContact CD-CH2 4.41Å; K32-W39 HydrophobicContact CD-CZ2 3.98Å; K32-W39 HydrophobicContact CG-CD2 4.33Å; K32-W39 HydrophobicContact CG-CZ2 4.22Å; K32-E108 HydrophobicContact CB-CB 3.96Å; K32-E108 HydrophobicContact CD-CB 4.07Å; K32-E108 HydrophobicContact CD-CG 4.32Å; K32-E108 VanDerWaalsContact CD-OE1 3.31Å; K32-E108 WeakPolarHBondContact CD-OE1 3.42Å; K32-E108 WeakPolarHBondContact CD-OE2 3.32Å; K32-E108 WeakPolarHBondContact CE-OE2 3.47Å; K32-E108 PolarHBondContact N-O 3.34Å; K32-E108 IonicContact NZ-OE1 3.24Å; K32-E108 PolarHBondContact NZ-OE1 3.2Å; K32-E108 IonicContact NZ-OE2 3.18Å; K32-E108 PolarHBondContact NZ-OE2 3.45Å
33T73.4Confident81Confident54 Ų5467.1 Ų67.133%0.33134%0.34SS..  trans-87.2129.2175.753.40000111.6E35 S37 R38T33-E35 PolarHBondContact O-N 2.88Å; T33-S37 WeakPolarHBondContact O-CA 3.48Å; T33-S37 PolarHBondContact O-N 2.62Å; T33-R38 WeakPolarHBondContact CB-O 3.26Å; T33-R38 PolarHBondContact N-O 3.32Å; T33-R38 PolarHBondContact OG1-N 3.07Å; T33-R38 PolarHBondContact OG1-O 3.42Å
34A63.2Low81.5Confident80 Ų8067 Ų6766%0.66134%0.338SS*.THydrogen-bonded Turntrans-71.8-10.7-171.100000115.4
35E59.5Low81.7Confident182 Ų18262 Ų6285%0.8531%0.308SS*.THydrogen-bonded Turntrans-103.7-36.5-175.3-66.7171.1175.600112.7T33T33-E35 PolarHBondContact O-N 2.88Å
36N61Low81.7Confident123 Ų12360.7 Ų60.766%0.65830%0.302SS*.THydrogen-bonded Turntrans-121.72.2-174.9-78.8-54.5000114.1R38N36-R38 HydrophobicContact CB-CG 4.36Å; N36-R38 PolarHBondContact O-N 2.9Å
37S69.8Low81.6Confident76 Ų7658.3 Ų58.353%0.53129%0.294SS..  trans53.712.8-174.8-64.50000115.9T33T33-S37 WeakPolarHBondContact O-CA 3.48Å; T33-S37 PolarHBondContact O-N 2.62Å
38R74.3Confident81.5Confident190 Ų19062.9 Ų62.972%0.71731%0.311SS*.  trans-77.6137.8175.7-67.4-174.1-179.9-168.6-0.5109.9T33 N36T33-R38 WeakPolarHBondContact CB-O 3.26Å; T33-R38 PolarHBondContact N-O 3.32Å; T33-R38 PolarHBondContact OG1-N 3.07Å; T33-R38 PolarHBondContact OG1-O 3.42Å; N36-R38 HydrophobicContact CB-CG 4.36Å; N36-R38 PolarHBondContact O-N 2.9Å
39W81.2Confident81.4Confident70 Ų7059.5 Ų59.527%0.26530%0.3SS..EExtended strand (participates in β ladder)trans-79.3138.7170.3-64.592.8000110.1S30 K31 K32 Y94 E108 R110S30-W39 VanDerWaalsContact O-CZ3 3.32Å; S30-W39 WeakPolarHBondContact O-CZ3 3.47Å; K31-W39 WeakPolarHBondContact O-CA 3.37Å; K32-W39 HydrophobicContact CB-CD2 4.05Å; K32-W39 HydrophobicContact CB-CE3 3.88Å; K32-W39 HydrophobicContact CB-CH2 3.94Å; K32-W39 HydrophobicContact CB-CZ2 4.07Å; K32-W39 HydrophobicContact CB-CZ3 3.83Å; K32-W39 HydrophobicContact CD-CH2 4.41Å; K32-W39 HydrophobicContact CD-CZ2 3.98Å; K32-W39 HydrophobicContact CG-CD2 4.33Å; K32-W39 HydrophobicContact CG-CZ2 4.22Å; W39-Y94 AromaticContact CH2-CD1 3.8Å; W39-Y94 HydrophobicContact CH2-CD1 3.8Å; W39-Y94 AromaticContact CH2-CE1 3.87Å; W39-Y94 HydrophobicContact CH2-CE1 3.87Å; W39-Y94 AromaticContact CZ2-CD1 3.86Å; W39-Y94 HydrophobicContact CZ2-CD1 3.86Å; W39-Y94 AromaticContact CZ2-CE1 3.53Å; W39-Y94 HydrophobicContact CZ2-CE1 3.53Å; W39-E108 HydrophobicContact CH2-CB 3.95Å; W39-R110 HydrophobicContact CE3-CG 3.9Å; W39-R110 HydrophobicContact CH2-CB 4.43Å; W39-R110 HydrophobicContact CH2-CG 4.34Å; W39-R110 HydrophobicContact CZ3-CB 4.19Å; W39-R110 HydrophobicContact CZ3-CG 3.8Å
40S82.5Confident81.3Confident36 Ų3659.9 Ų59.925%0.25230%0.302SS..EExtended strand (participates in β ladder)trans-135.3128.5171.862.50000109K31 K42K31-S40 PolarHBondContact N-O 2.75Å; K31-S40 PolarHBondContact O-N 2.96Å; K31-S40 PolarHBondContact O-OG 2.86Å; S40-K42 WeakPolarHBondContact OG-CE 3.34Å
41E85.8Confident81.4Confident116 Ų11659 Ų5954%0.54230%0.296SS..EExtended strand (participates in β ladder)trans-63.4138.8169.9-175.6172.4-110.300110.9Y28Y28-E41 HydrophobicContact CD1-CG 3.83Å; Y28-E41 HydrophobicContact CG-CG 4.38Å
42K89.8Confident81.5Confident26 Ų2658.1 Ų58.111%0.11329%0.292CS..EExtended strand (participates in β ladder)trans-143.6150.2176.6-60.7-64.6153.1-169.30109.1Y28 L29 K31 S40 F44 Y53 F54 E55Y28-K42 WeakPolarHBondContact CA-O 3.35Å; L29-K42 PolarHBondContact N-O 3.21Å; L29-K42 PolarHBondContact O-N 3.38Å; K31-K42 HydrophobicContact CB-CG 4.46Å; S40-K42 WeakPolarHBondContact OG-CE 3.34Å; K42-F44 HydrophobicContact CB-CD2 4.22Å; K42-F44 HydrophobicContact CB-CE2 3.81Å; K42-F44 WeakPolarHBondContact O-CD2 3.17Å; K42-Y53 HydrophobicContact CG-CD2 4.4Å; K42-F54 WeakPolarHBondContact CB-O 3.33Å; K42-E55 WeakPolarHBondContact CD-OE1 3.38Å; K42-E55 WeakPolarHBondContact CE-OE1 3.3Å; K42-E55 IonicContact NZ-OE1 2.93Å; K42-E55 PolarHBondContact NZ-OE1 2.88Å; K42-E55 IonicContact NZ-OE2 2.93Å; K42-E55 PolarHBondContact NZ-OE2 3.03Å
43F89.3Confident81.8Confident13 Ų1357 Ų576%0.05729%0.287CS..EExtended strand (participates in β ladder)trans-85.5131172.1-173.3-93.4000109.6R26 Y28 Y53 F54 E57R26-F43 HydrophobicContact CB-CZ 4.17Å; R26-F43 HydrophobicContact CG-CZ 4.48Å; Y28-F43 HydrophobicContact CD1-CB 4.14Å; Y28-F43 HydrophobicContact CD1-CD2 4.3Å; Y28-F43 AromaticContact CD2-CD2 3.94Å; Y28-F43 HydrophobicContact CD2-CD2 3.94Å; Y28-F43 HydrophobicContact CE1-CB 3.96Å; Y28-F43 HydrophobicContact CE1-CD2 4.17Å; Y28-F43 AromaticContact CE2-CD2 3.76Å; Y28-F43 HydrophobicContact CE2-CD2 3.76Å; Y28-F43 HydrophobicContact CE2-CE2 4.32Å; Y28-F43 HydrophobicContact CG-CD2 4.21Å; Y28-F43 AromaticContact CZ-CD2 3.9Å; F43-Y53 CarbonylContact O-C 3.51Å; F43-Y53 WeakPolarHBondContact O-CA 3.25Å; F43-F54 HydrophobicContact CB-CB 4.41Å; F43-F54 HydrophobicContact CD1-CD2 4.12Å; F43-F54 PolarHBondContact N-O 3.35Å; F43-F54 PolarHBondContact O-N 3.22Å; F43-E57 HydrophobicContact CB-CB 4.35Å; F43-E57 HydrophobicContact CD1-CB 4.5Å; F43-E57 HydrophobicContact CD2-CB 3.88Å; F43-E57 HydrophobicContact CD2-CG 4.2Å; F43-E57 HydrophobicContact CE1-CG 4.49Å; F43-E57 HydrophobicContact CE2-CB 4.27Å; F43-E57 HydrophobicContact CE2-CG 4.09Å; F43-E57 HydrophobicContact CG-CB 3.99Å; F43-E57 HydrophobicContact CG-CG 4.43Å; F43-E57 HydrophobicContact CZ-CG 4.24Å
44F92.4Very high82.5Confident0 Ų054.5 Ų54.50%027%0.271CS..EExtended strand (participates in β ladder)trans-115.6147.7179.7-78.1-104.8000111.5R26 G27 L29 K31 K42 L51 F52 Y53 L107 L109 W120R26-F44 WeakPolarHBondContact CA-O 3.43Å; G27-F44 PolarHBondContact N-O 2.89Å; G27-F44 PolarHBondContact O-N 2.99Å; L29-F44 HydrophobicContact CB-CD2 3.63Å; L29-F44 HydrophobicContact CB-CE2 3.73Å; L29-F44 HydrophobicContact CB-CG 4.48Å; L29-F44 HydrophobicContact CD1-CB 4.17Å; L29-F44 HydrophobicContact CD1-CD1 4.45Å; L29-F44 HydrophobicContact CD1-CD2 3.96Å; L29-F44 HydrophobicContact CD1-CE2 4.38Å; L29-F44 HydrophobicContact CD1-CG 3.97Å; L29-F44 HydrophobicContact CG-CD2 4.12Å; K31-F44 HydrophobicContact CB-CE2 4.33Å; K31-F44 HydrophobicContact CB-CZ 4.23Å; K31-F44 HydrophobicContact CD-CZ 4.1Å; K42-F44 HydrophobicContact CB-CD2 4.22Å; K42-F44 HydrophobicContact CB-CE2 3.81Å; K42-F44 WeakPolarHBondContact O-CD2 3.17Å; F44-L51 HydrophobicContact CB-CD1 4.45Å; F44-L51 HydrophobicContact CD1-CD1 3.95Å; F44-L51 HydrophobicContact CD1-CD2 4.04Å; F44-L51 HydrophobicContact CD1-CG 3.93Å; F44-L51 HydrophobicContact CE1-CD2 4.2Å; F44-L51 HydrophobicContact CE1-CG 4.44Å; F44-F52 WeakPolarHBondContact CA-O 3.44Å; F44-Y53 HydrophobicContact CE1-CG 4.37Å; F44-Y53 HydrophobicContact CZ-CG 4.44Å; F44-L107 HydrophobicContact CE1-CD2 4.5Å; F44-L109 HydrophobicContact CE1-CD1 4.41Å; F44-L109 HydrophobicContact CE1-CD2 4.24Å; F44-L109 HydrophobicContact CE2-CD2 4.17Å; F44-L109 HydrophobicContact CZ-CD1 4.48Å; F44-L109 HydrophobicContact CZ-CD2 3.57Å; F44-W120 HydrophobicContact CB-CH2 4Å; F44-W120 HydrophobicContact CB-CZ2 4.47Å
45A91Very high83.6Confident0 Ų055.6 Ų55.60%026%0.263CS..EExtended strand (participates in β ladder)trans-140.5117.5173.200000109.9A19 R20 R26 F52 F54A19-A45 HydrophobicContact CB-CB 4.09Å; R20-A45 HydrophobicContact CG-CB 4.42Å; R26-A45 HydrophobicContact CG-CB 3.79Å; A45-F52 PolarHBondContact N-O 2.87Å; A45-F52 PolarHBondContact O-N 2.91Å; A45-F54 HydrophobicContact CB-CE2 4.23Å
46L89.8Confident84.6Confident0 Ų050.6 Ų50.60%024%0.242CC..EExtended strand (participates in β ladder)trans-92.7130173.8175.957.4000109.6G23 T24 K25 Q48 L51 L68 W120 A123 I124 A127G23-L46 CarbonylContact C-O 3.54Å; G23-L46 WeakPolarHBondContact CA-O 3.49Å; T24-L46 PolarHBondContact N-O 2.96Å; K25-L46 PolarHBondContact O-N 3Å; L46-Q48 WeakPolarHBondContact CD1-O 3.45Å; L46-L51 HydrophobicContact CB-CD1 3.93Å; L46-L51 HydrophobicContact CD1-CB 4.39Å; L46-L51 HydrophobicContact CD1-CD1 4.42Å; L46-L68 HydrophobicContact CD1-CD1 3.48Å; L46-L68 VanDerWaalsContact CD1-CD1 3.48Å; L46-W120 HydrophobicContact CB-CZ3 4.21Å; L46-A123 HydrophobicContact CD2-CB 3.98Å; L46-A123 WeakPolarHBondContact CD2-O 3.46Å; L46-I124 HydrophobicContact CD2-CG1 4.27Å; L46-A127 HydrophobicContact CD1-CB 3.98Å; L46-A127 HydrophobicContact CD2-CB 4.1Å; L46-A127 HydrophobicContact CG-CB 4.48Å
47Y87.9Confident85.5Confident53 Ų5348.9 Ų48.921%0.20823%0.23CC..EExtended strand (participates in β ladder)trans-143.7121.8172.1179.7-95000109.8L15 V18 A19 N49 V50L15-Y47 HydrophobicContact CD2-CE1 4.24Å; V18-Y47 HydrophobicContact CG1-CD2 4.2Å; V18-Y47 HydrophobicContact CG1-CE1 4.23Å; V18-Y47 HydrophobicContact CG1-CE2 3.66Å; A19-Y47 VanDerWaalsContact CB-CB 3.49Å; A19-Y47 HydrophobicContact CB-CG 4.27Å; Y47-N49 PolarHBondContact O-N 2.69Å; Y47-V50 PolarHBondContact N-O 3.05Å; Y47-V50 PolarHBondContact O-N 2.83Å
48Q86.6Confident86Confident108 Ų10853.8 Ų53.851%0.50524%0.244SC..THydrogen-bonded Turntrans51.2-136.1-168.7-58.2175.7-12.900109.6L46 V50 A127L46-Q48 WeakPolarHBondContact CD1-O 3.45Å; Q48-V50 VanDerWaalsContact C-N 3.26Å; Q48-V50 PolarHBondContact O-N 2.87Å; Q48-A127 WeakPolarHBondContact O-CB 3.12Å
49N85.8Confident86.3Confident24 Ų2446 Ų4613%0.12822%0.219CC..THydrogen-bonded Turntrans-83.414.4176.962.5-14.4000114.3Y47 L67 L68 E69 A127 Y129Y47-N49 PolarHBondContact O-N 2.69Å; N49-L67 HydrophobicContact CB-CD1 4.44Å; N49-L68 WeakPolarHBondContact O-CB 3.48Å; N49-L68 PolarHBondContact O-N 2.91Å; N49-E69 PolarHBondContact ND2-OE2 2.85Å; N49-A127 WeakPolarHBondContact CA-O 3.38Å; N49-A127 VanDerWaalsContact CB-O 3.24Å; N49-A127 WeakPolarHBondContact CB-O 3.34Å; N49-Y129 HydrophobicContact CB-CD2 4.34Å; N49-Y129 HydrophobicContact CB-CE2 3.8Å
50V86.9Confident85.9Confident11 Ų1146.8 Ų46.87%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-118.6121.5-174.7-170.10000111.8Y47 Q48 F52 I65 L67Y47-V50 PolarHBondContact N-O 3.05Å; Y47-V50 PolarHBondContact O-N 2.83Å; Q48-V50 VanDerWaalsContact C-N 3.26Å; Q48-V50 PolarHBondContact O-N 2.87Å; V50-F52 HydrophobicContact CB-CE2 3.88Å; V50-F52 HydrophobicContact CB-CZ 4.31Å; V50-F52 HydrophobicContact CG1-CD2 4.1Å; V50-F52 HydrophobicContact CG1-CE1 4.27Å; V50-F52 HydrophobicContact CG1-CE2 3.48Å; V50-F52 VanDerWaalsContact CG1-CE2 3.48Å; V50-F52 HydrophobicContact CG1-CZ 3.58Å; V50-I65 HydrophobicContact CG1-CG2 3.38Å; V50-L67 HydrophobicContact CG2-CD1 4.21Å
51L88.6Confident85.8Confident0 Ų052.3 Ų52.30%026%0.256CS..EExtended strand (participates in β ladder)trans-103.9112178.2-176.465.9000110.6F44 L46 Y66 L68 I97 W120F44-L51 HydrophobicContact CB-CD1 4.45Å; F44-L51 HydrophobicContact CD1-CD1 3.95Å; F44-L51 HydrophobicContact CD1-CD2 4.04Å; F44-L51 HydrophobicContact CD1-CG 3.93Å; F44-L51 HydrophobicContact CE1-CD2 4.2Å; F44-L51 HydrophobicContact CE1-CG 4.44Å; L46-L51 HydrophobicContact CB-CD1 3.93Å; L46-L51 HydrophobicContact CD1-CB 4.39Å; L46-L51 HydrophobicContact CD1-CD1 4.42Å; L51-Y66 PolarHBondContact N-O 3.39Å; L51-Y66 PolarHBondContact O-N 3.19Å; L51-L68 HydrophobicContact CB-CD1 4.12Å; L51-L68 HydrophobicContact CB-CD2 4.15Å; L51-L68 HydrophobicContact CB-CG 4.14Å; L51-L68 HydrophobicContact CD2-CD2 4.33Å; L51-I97 HydrophobicContact CD2-CD1 3.77Å; L51-W120 HydrophobicContact CD1-CZ3 4.31Å
52F89.2Confident85.8Confident3 Ų347.9 Ų47.91%0.01324%0.237CC..EExtended strand (participates in β ladder)trans-94.1143.7175.9-60.2-96000110.3L15 S16 A19 F44 A45 V50 F54 P62 I65L15-F52 HydrophobicContact CB-CE2 4.48Å; L15-F52 HydrophobicContact CB-CZ 3.75Å; S16-F52 VanDerWaalsContact CB-CD1 3.46Å; A19-F52 HydrophobicContact CB-CD2 3.63Å; A19-F52 HydrophobicContact CB-CE2 3.86Å; A19-F52 HydrophobicContact CB-CG 4.46Å; F44-F52 WeakPolarHBondContact CA-O 3.44Å; A45-F52 PolarHBondContact N-O 2.87Å; A45-F52 PolarHBondContact O-N 2.91Å; V50-F52 HydrophobicContact CB-CE2 3.88Å; V50-F52 HydrophobicContact CB-CZ 4.31Å; V50-F52 HydrophobicContact CG1-CD2 4.1Å; V50-F52 HydrophobicContact CG1-CE1 4.27Å; V50-F52 HydrophobicContact CG1-CE2 3.48Å; V50-F52 VanDerWaalsContact CG1-CE2 3.48Å; V50-F52 HydrophobicContact CG1-CZ 3.58Å; F52-F54 HydrophobicContact CB-CE2 3.77Å; F52-F54 HydrophobicContact CB-CZ 4.16Å; F52-P62 HydrophobicContact CD1-CB 4.18Å; F52-P62 HydrophobicContact CD1-CG 4.31Å; F52-I65 HydrophobicContact CD1-CD1 4.07Å; F52-I65 HydrophobicContact CD1-CG1 3.82Å; F52-I65 HydrophobicContact CD1-CG2 4.19Å; F52-I65 HydrophobicContact CE1-CD1 3.8Å; F52-I65 HydrophobicContact CE1-CG1 4.03Å; F52-I65 HydrophobicContact CE1-CG2 4.08Å
53Y89.3Confident85.5Confident33 Ų3348.3 Ų48.313%0.12925%0.246CC..EExtended strand (participates in β ladder)trans-129.6150.1166.677.8-91000112.2K31 K42 F43 F44 P62 A63 G64 Y66K31-Y53 PolarHBondContact NZ-OH 2.69Å; K42-Y53 HydrophobicContact CG-CD2 4.4Å; F43-Y53 CarbonylContact O-C 3.51Å; F43-Y53 WeakPolarHBondContact O-CA 3.25Å; F44-Y53 HydrophobicContact CE1-CG 4.37Å; F44-Y53 HydrophobicContact CZ-CG 4.44Å; Y53-P62 CarbonylContact O-C 3.43Å; Y53-P62 WeakPolarHBondContact O-CA 3.21Å; Y53-A63 HydrophobicContact CD2-CB 3.88Å; Y53-A63 HydrophobicContact CE2-CB 3.54Å; Y53-A63 PolarHBondContact O-N 3.32Å; Y53-A63 PolarHBondContact OH-O 2.71Å; Y53-G64 WeakPolarHBondContact CD1-O 3.28Å; Y53-G64 PolarHBondContact N-O 3.1Å; Y53-G64 PolarHBondContact O-N 2.81Å; Y53-Y66 HydrophobicContact CD1-CD2 4.1Å; Y53-Y66 AromaticContact CD1-CE2 3.54Å; Y53-Y66 HydrophobicContact CD1-CE2 3.54Å; Y53-Y66 HydrophobicContact CE1-CD2 4.32Å; Y53-Y66 AromaticContact CE1-CE2 3.48Å; Y53-Y66 HydrophobicContact CE1-CE2 3.48Å; Y53-Y66 VanDerWaalsContact CE1-CE2 3.48Å
54F88.3Confident85.2Confident1 Ų147.7 Ų47.70%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-130.1151.7-172.8-58.4-98.8000109.5R20 K42 F43 A45 F52 N56 R61 P62R20-F54 VanDerWaalsContact CD-CZ 3.48Å; R20-F54 HydrophobicContact CG-CE1 4.36Å; R20-F54 HydrophobicContact CG-CE2 3.82Å; R20-F54 HydrophobicContact CG-CZ 3.65Å; K42-F54 WeakPolarHBondContact CB-O 3.33Å; F43-F54 HydrophobicContact CB-CB 4.41Å; F43-F54 HydrophobicContact CD1-CD2 4.12Å; F43-F54 PolarHBondContact N-O 3.35Å; F43-F54 PolarHBondContact O-N 3.22Å; A45-F54 HydrophobicContact CB-CE2 4.23Å; F52-F54 HydrophobicContact CB-CE2 3.77Å; F52-F54 HydrophobicContact CB-CZ 4.16Å; F54-N56 WeakPolarHBondContact CB-O 3.41Å; F54-N56 PolarHBondContact O-N 2.98Å; F54-R61 WeakPolarHBondContact CD1-O 3.27Å; F54-P62 HydrophobicContact CD1-CB 4.26Å; F54-P62 HydrophobicContact CE1-CB 3.89Å; F54-P62 HydrophobicContact CZ-CB 4.1Å
55E86.3Confident84.8Confident103 Ų10348.9 Ų48.948%0.48125%0.249SC..SBendtrans-62.1-34.9179.2-76.3-60.396.400112.5K42 A63K42-E55 WeakPolarHBondContact CD-OE1 3.38Å; K42-E55 WeakPolarHBondContact CE-OE1 3.3Å; K42-E55 IonicContact NZ-OE1 2.93Å; K42-E55 PolarHBondContact NZ-OE1 2.88Å; K42-E55 IonicContact NZ-OE2 2.93Å; K42-E55 PolarHBondContact NZ-OE2 3.03Å; E55-A63 HydrophobicContact CG-CB 4.03Å
56N81.4Confident84.5Confident76 Ų7650.4 Ų50.441%0.40626%0.255SS..SBendtrans-157.5166.7171.152.230.8000108.2F54 Q58 S59F54-N56 WeakPolarHBondContact CB-O 3.41Å; F54-N56 PolarHBondContact O-N 2.98Å; N56-Q58 PolarHBondContact O-N 2.66Å; N56-Q58 VanDerWaalsContact O-N 3.16Å; N56-S59 VanDerWaalsContact O-CB 3.3Å; N56-S59 WeakPolarHBondContact O-CB 3.43Å; N56-S59 PolarHBondContact O-N 3.32Å; N56-S59 VanDerWaalsContact O-N 3.09Å; N56-S59 PolarHBondContact O-OG 3.46Å; N56-S59 PolarHBondContact OD1-N 3.12Å; N56-S59 VanDerWaalsContact OD1-N 3.07Å; N56-S59 PolarHBondContact OD1-OG 3.47Å
57E80.2Confident84.2Confident87 Ų8752 Ų5241%0.40726%0.263SS..THydrogen-bonded Turntrans-59.1-28.9-179.5-178.3-179.4-169.100112.9R20 Y28 F43 S59R20-E57 PolarHBondContact NH1-O 3.2Å; R20-E57 PolarHBondContact NH2-O 3.05Å; Y28-E57 WeakPolarHBondContact OH-CB 3.36Å; Y28-E57 PolarHBondContact OH-N 2.98Å; F43-E57 HydrophobicContact CB-CB 4.35Å; F43-E57 HydrophobicContact CD1-CB 4.5Å; F43-E57 HydrophobicContact CD2-CB 3.88Å; F43-E57 HydrophobicContact CD2-CG 4.2Å; F43-E57 HydrophobicContact CE1-CG 4.49Å; F43-E57 HydrophobicContact CE2-CB 4.27Å; F43-E57 HydrophobicContact CE2-CG 4.09Å; F43-E57 HydrophobicContact CG-CB 3.99Å; F43-E57 HydrophobicContact CG-CG 4.43Å; F43-E57 HydrophobicContact CZ-CG 4.24Å; E57-S59 VanDerWaalsContact C-N 3.25Å; E57-S59 PolarHBondContact O-N 2.9Å
58Q79.4Confident84.1Confident179 Ų17949.4 Ų49.484%0.83625%0.253SS*.THydrogen-bonded Turntrans-77.3-9.2-178.9-63.8175.112.300113.4N56 A60N56-Q58 PolarHBondContact O-N 2.66Å; N56-Q58 VanDerWaalsContact O-N 3.16Å; Q58-A60 PolarHBondContact O-N 2.63Å
59S81.6Confident83.8Confident26 Ų2649.5 Ų49.518%0.18225%0.254CS..  trans-65.2122.2-178.7-70.80000113.2R20 N56 E57 R61R20-S59 PolarHBondContact NH1-O 3.18Å; N56-S59 VanDerWaalsContact O-CB 3.3Å; N56-S59 WeakPolarHBondContact O-CB 3.43Å; N56-S59 PolarHBondContact O-N 3.32Å; N56-S59 VanDerWaalsContact O-N 3.09Å; N56-S59 PolarHBondContact O-OG 3.46Å; N56-S59 PolarHBondContact OD1-N 3.12Å; N56-S59 VanDerWaalsContact OD1-N 3.07Å; N56-S59 PolarHBondContact OD1-OG 3.47Å; E57-S59 VanDerWaalsContact C-N 3.25Å; E57-S59 PolarHBondContact O-N 2.9Å; S59-R61 VanDerWaalsContact C-N 3.31Å; S59-R61 PolarHBondContact O-N 3.12Å
60A72.4Confident83.1Confident87 Ų8750 Ų5072%0.71926%0.264SS*.SBendtrans-76.7-8.8-177.900000115.1Q58Q58-A60 PolarHBondContact O-N 2.63Å
61R80.5Confident82.9Confident153 Ų15349.5 Ų49.558%0.57726%0.261SS*.SBendtrans-131.6145174.5-63.8-168.7174-144.8-1.4109.9E9 L13 F54 S59E9-R61 IonicContact OE1-CZ 3.72Å; E9-R61 IonicContact OE1-NH1 3.18Å; E9-R61 PolarHBondContact OE1-NH1 3.09Å; L13-R61 HydrophobicContact CD2-CB 4.16Å; L13-R61 HydrophobicContact CD2-CG 3.76Å; F54-R61 WeakPolarHBondContact CD1-O 3.27Å; S59-R61 VanDerWaalsContact C-N 3.31Å; S59-R61 PolarHBondContact O-N 3.12Å
62P85.1Confident82.5Confident22 Ų2252.2 Ų52.214%0.14328%0.278CS..  trans-68.1134.3173.229.2-33.6000110.4F52 Y53 F54 I65F52-P62 HydrophobicContact CD1-CB 4.18Å; F52-P62 HydrophobicContact CD1-CG 4.31Å; Y53-P62 CarbonylContact O-C 3.43Å; Y53-P62 WeakPolarHBondContact O-CA 3.21Å; F54-P62 HydrophobicContact CD1-CB 4.26Å; F54-P62 HydrophobicContact CE1-CB 3.89Å; F54-P62 HydrophobicContact CZ-CB 4.1Å; P62-I65 HydrophobicContact CB-CG1 4.47Å; P62-I65 HydrophobicContact CG-CD1 4.42Å; P62-I65 HydrophobicContact CG-CG1 4.4Å
63A83.4Confident82.4Confident36 Ų3652.5 Ų52.530%0.29828%0.28SS..SBendtrans-74.9-16.7172.600000112Y53 E55Y53-A63 HydrophobicContact CD2-CB 3.88Å; Y53-A63 HydrophobicContact CE2-CB 3.54Å; Y53-A63 PolarHBondContact O-N 3.32Å; Y53-A63 PolarHBondContact OH-O 2.71Å; E55-A63 HydrophobicContact CG-CB 4.03Å
64G82Confident82Confident0 Ų056.4 Ų56.40%030%0.3CS..EExtended strand (participates in β ladder)trans-177.4173.8163.500000113.3Y53Y53-G64 WeakPolarHBondContact CD1-O 3.28Å; Y53-G64 PolarHBondContact N-O 3.1Å; Y53-G64 PolarHBondContact O-N 2.81Å
65I84.9Confident81.8Confident25 Ų2561.3 Ų61.313%0.12832%0.318CS..EExtended strand (participates in β ladder)trans-137.7141.4-173.1-47.8177.6000107.7A12 V50 F52 P62A12-I65 HydrophobicContact CB-CD1 3.89Å; V50-I65 HydrophobicContact CG1-CG2 3.38Å; F52-I65 HydrophobicContact CD1-CD1 4.07Å; F52-I65 HydrophobicContact CD1-CG1 3.82Å; F52-I65 HydrophobicContact CD1-CG2 4.19Å; F52-I65 HydrophobicContact CE1-CD1 3.8Å; F52-I65 HydrophobicContact CE1-CG1 4.03Å; F52-I65 HydrophobicContact CE1-CG2 4.08Å; P62-I65 HydrophobicContact CB-CG1 4.47Å; P62-I65 HydrophobicContact CG-CD1 4.42Å; P62-I65 HydrophobicContact CG-CG1 4.4Å
66Y84.6Confident81.2Confident31 Ų3159.1 Ų59.112%0.12231%0.312CS..EExtended strand (participates in β ladder)trans-128133.5171.2-62-86.4000109.5K31 L51 Y53 F99 L107K31-Y66 PolarHBondContact NZ-OH 3.48Å; L51-Y66 PolarHBondContact N-O 3.39Å; L51-Y66 PolarHBondContact O-N 3.19Å; Y53-Y66 HydrophobicContact CD1-CD2 4.1Å; Y53-Y66 AromaticContact CD1-CE2 3.54Å; Y53-Y66 HydrophobicContact CD1-CE2 3.54Å; Y53-Y66 HydrophobicContact CE1-CD2 4.32Å; Y53-Y66 AromaticContact CE1-CE2 3.48Å; Y53-Y66 HydrophobicContact CE1-CE2 3.48Å; Y53-Y66 VanDerWaalsContact CE1-CE2 3.48Å; Y66-F99 HydrophobicContact CD1-CE1 4.23Å; Y66-F99 HydrophobicContact CD1-CE2 4.01Å; Y66-F99 AromaticContact CD1-CZ 3.51Å; Y66-F99 HydrophobicContact CD1-CZ 3.51Å; Y66-F99 HydrophobicContact CE1-CE2 4.36Å; Y66-F99 HydrophobicContact CE1-CZ 4.25Å; Y66-F99 AromaticContact CG-CZ 4Å; Y66-F99 HydrophobicContact CG-CZ 4Å; Y66-L107 HydrophobicContact CD2-CD2 3.94Å; Y66-L107 HydrophobicContact CE1-CD2 4.28Å; Y66-L107 HydrophobicContact CE2-CD1 4.42Å; Y66-L107 HydrophobicContact CE2-CD2 3.63Å; Y66-L107 HydrophobicContact CG-CD2 4.39Å
67L84.4Confident80.4Confident33 Ų3361 Ų6117%0.17333%0.328CS..EExtended strand (participates in β ladder)trans-87.2128165.8-176.964.5000108.3Q2 V5 N49 V50 E69 F99Q2-L67 PolarHBondContact NE2-O 3.26Å; V5-L67 HydrophobicContact CG2-CB 4.49Å; V5-L67 HydrophobicContact CG2-CD2 4.23Å; N49-L67 HydrophobicContact CB-CD1 4.44Å; V50-L67 HydrophobicContact CG2-CD1 4.21Å; L67-E69 HydrophobicContact CD1-CB 4.24Å; L67-E69 HydrophobicContact CD2-CB 4.39Å; L67-E69 HydrophobicContact CG-CB 4.04Å; L67-F99 WeakPolarHBondContact O-CD1 3.37Å; L67-F99 WeakPolarHBondContact O-CE1 3.46Å
68L84.3Confident79.5Confident0 Ų059.7 Ų59.70%033%0.332CS..  trans-95.1-8.3-176.9-60.5-179.2000113.7L46 N49 L51 G70 C71 I97 F99 I124 A127 S128L46-L68 HydrophobicContact CD1-CD1 3.48Å; L46-L68 VanDerWaalsContact CD1-CD1 3.48Å; N49-L68 WeakPolarHBondContact O-CB 3.48Å; N49-L68 PolarHBondContact O-N 2.91Å; L51-L68 HydrophobicContact CB-CD1 4.12Å; L51-L68 HydrophobicContact CB-CD2 4.15Å; L51-L68 HydrophobicContact CB-CG 4.14Å; L51-L68 HydrophobicContact CD2-CD2 4.33Å; L68-G70 PolarHBondContact O-N 2.65Å; L68-G70 VanDerWaalsContact O-N 3.17Å; L68-C71 WeakPolarHBondContact O-CB 3.45Å; L68-C71 PolarHBondContact O-N 3.14Å; L68-C71 PolarHBondContact O-SG 3.13Å; L68-I97 HydrophobicContact CD2-CD1 4.16Å; L68-I97 HydrophobicContact CD2-CG2 4.1Å; L68-F99 HydrophobicContact CD2-CE1 4.2Å; L68-I124 HydrophobicContact CD1-CB 4.46Å; L68-I124 HydrophobicContact CD1-CG1 4.37Å; L68-I124 HydrophobicContact CD1-CG2 4.02Å; L68-I124 HydrophobicContact CD2-CG2 4.19Å; L68-A127 HydrophobicContact CD1-CB 3.91Å; L68-S128 VanDerWaalsContact O-CA 3.29Å; L68-S128 WeakPolarHBondContact O-CA 3.4Å; L68-S128 WeakPolarHBondContact O-CB 3.49Å
69E80.2Confident78.6Confident110 Ų11054.7 Ų54.751%0.51432%0.315SS..THydrogen-bonded Turntrans-55.3119.3179.8-167.3173.8155.200111N49 L67 C71 S128N49-E69 PolarHBondContact ND2-OE2 2.85Å; L67-E69 HydrophobicContact CD1-CB 4.24Å; L67-E69 HydrophobicContact CD2-CB 4.39Å; L67-E69 HydrophobicContact CG-CB 4.04Å; E69-C71 VanDerWaalsContact C-N 3.34Å; E69-C71 PolarHBondContact O-N 3.38Å; E69-S128 WeakPolarHBondContact CA-O 3.42Å
70G72.3Confident77Confident33 Ų3363.7 Ų63.734%0.3435%0.351SS..THydrogen-bonded Turntrans69.722.2-175.500000115.4L68 G100 S128L68-G70 PolarHBondContact O-N 2.65Å; L68-G70 VanDerWaalsContact O-N 3.17Å; G70-G100 PolarHBondContact O-N 3.28Å; G70-S128 PolarHBondContact N-O 2.64Å
71C81.9Confident75.9Confident2 Ų265.3 Ų65.31%0.01435%0.346CS..EExtended strand (participates in β ladder)trans-91155.7167.486.90000111.9L68 E69 I97 V98 F99 S128L68-C71 WeakPolarHBondContact O-CB 3.45Å; L68-C71 PolarHBondContact O-N 3.14Å; L68-C71 PolarHBondContact O-SG 3.13Å; E69-C71 VanDerWaalsContact C-N 3.34Å; E69-C71 PolarHBondContact O-N 3.38Å; C71-I97 HydrophobicContact CB-CG2 3.92Å; C71-I97 VanDerWaalsContact SG-CG2 3.53Å; C71-V98 CarbonylContact C-O 3.53Å; C71-V98 WeakPolarHBondContact CA-O 3.3Å; C71-V98 VanDerWaalsContact CB-O 3.27Å; C71-V98 WeakPolarHBondContact CB-O 3.22Å; C71-F99 HydrophobicContact CB-CD1 3.99Å; C71-F99 HydrophobicContact CB-CE1 4.48Å; C71-S128 WeakPolarHBondContact O-CB 3.41Å; C71-S128 PolarHBondContact O-OG 3.27Å
72T81.8Confident74.1Confident57 Ų5763.1 Ų63.135%0.3535%0.354SS..EExtended strand (participates in β ladder)trans-108.5144.5164.460.10000109.9V98T72-V98 PolarHBondContact N-O 3.27Å; T72-V98 PolarHBondContact O-N 3.47Å
73C85.8Confident72.1Confident9 Ų968.6 Ų68.66%0.06139%0.388CS..EExtended strand (participates in β ladder)trans-116.8115.6175.1-1610000110.5L96 V121 I124C73-L96 WeakPolarHBondContact CA-O 3.4Å; C73-V121 HydrophobicContact CB-CG1 4.38Å; C73-I124 HydrophobicContact CB-CB 4.24Å; C73-I124 HydrophobicContact CB-CG2 3.7Å
74E81.9Confident70.3Confident115 Ų11573.6 Ų73.654%0.53742%0.415SS..EExtended strand (participates in β ladder)trans-122.1126.2-173.8-71.5177.8-151.400111.1T76 F95 L96E74-T76 PolarHBondContact O-N 2.85Å; E74-T76 PolarHBondContact O-OG1 3.22Å; E74-F95 WeakPolarHBondContact O-CA 3.4Å; E74-L96 PolarHBondContact N-O 3.19Å; E74-L96 PolarHBondContact O-N 3.48Å
75R82.6Confident68.4Low104 Ų10477.4 Ų77.439%0.39245%0.454SS..EExtended strand (participates in β ladder)trans-70.1126.5173.6-175.2167167.6-164.8-12.3109.8H93 E114 D118R75-H93 PolarHBondContact NH2-ND1 3.11Å; R75-E114 IonicContact CZ-OE1 2.67Å; R75-E114 VanDerWaalsContact CZ-OE1 3.24Å; R75-E114 IonicContact NH1-OE1 2.75Å; R75-E114 PolarHBondContact NH1-OE1 2.86Å; R75-E114 IonicContact NH2-OE1 2.77Å; R75-E114 PolarHBondContact NH2-OE1 3.05Å; R75-D118 WeakPolarHBondContact CD-OD1 3.32Å; R75-D118 IonicContact CZ-OD1 2.71Å; R75-D118 IonicContact NE-OD1 2.84Å; R75-D118 VanDerWaalsContact NH1-CG 3.25Å; R75-D118 IonicContact NH1-OD1 2.66Å; R75-D118 PolarHBondContact NH1-OD1 3.32Å; R75-D118 IonicContact NH1-OD2 3.35Å; R75-D118 PolarHBondContact NH1-OD2 3.03Å
76T75.1Confident66.6Low57 Ų5784.7 Ų84.735%0.3549%0.485SS..EExtended strand (participates in β ladder)trans-109.9136.3-169.4-39.40000110.9E74 Y94E74-T76 PolarHBondContact O-N 2.85Å; E74-T76 PolarHBondContact O-OG1 3.22Å; T76-Y94 PolarHBondContact N-O 3.17Å
77P64.4Low64.7Low114 Ų11491 Ų9174%0.7452%0.515SS*.PPolyproline II helixtrans-59.8143.2171.1-23.734.3000112
78A61.7Low63Low61 Ų6193.5 Ų93.550%0.50454%0.541SS..PPolyproline II helixtrans-57.5134.8179.700000111.6K80 Y94A78-K80 PolarHBondContact O-N 3.49Å; A78-Y94 HydrophobicContact CB-CD2 3.87Å; A78-Y94 HydrophobicContact CB-CE2 3.8Å
79P59.7Low61.5Low74 Ų7497.4 Ų97.448%0.48156%0.561SS.*PPolyproline II helixtrans-66.9132-174.125.8-33.9000111.7I81 Y94P79-I81 PolarHBondContact O-N 3.24Å; P79-Y94 HydrophobicContact CG-CE1 4.44Å
80K48.5Very low60.2Low215 Ų215100.6 Ų100.694%0.93558%0.576SS**  trans-68.3101.1178.6-66.3-177.6-179.7179.30110.9A78A78-K80 PolarHBondContact O-N 3.49Å
81I50.1Low59.5Low120 Ų120107.1 Ų107.162%0.61560%0.595SS**  trans-84.6136.1176-66.7171.3000110P79P79-I81 PolarHBondContact O-N 3.24Å
82S40.8Very low58.9Low107 Ų107108.5 Ų108.575%0.74860%0.601SS**  trans-76.3157.4174.4470000112.1T84S82-T84 PolarHBondContact O-N 3.4Å
83T43.8Very low58.9Low137 Ų137107.6 Ų107.684%0.8459%0.593SS**SBendtrans-57.5102.6-166.249.90000115.4
84T45Very low58.8Low142 Ų142107.9 Ų107.987%0.87159%0.593SS**SBendtrans-178131.6131.221.60000110.9S82S82-T84 PolarHBondContact O-N 3.4Å
85G42.6Very low59.1Low79 Ų79102.5 Ų102.581%0.81457%0.568SS**  trans105104.1-178.600000112.9
86K47.6Very low59.3Low179 Ų17999.4 Ų99.478%0.77856%0.558SS**  trans-102.6169.5-174.4-90.6-169.1167-164.60113.5A88K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 2.96Å; K86-A88 VanDerWaalsContact O-N 3.11Å
87E43.5Very low59.9Low164 Ų16496.7 Ų96.777%0.76654%0.542SS*.SBendtrans71.9-8.3155.7-74.8149-136.700119.5
88A49.3Very low60.9Low85 Ų8593.8 Ų93.870%0.70252%0.522SS*.SBendtrans-111.2-10.5179.200000116.6K86K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 2.96Å; K86-A88 VanDerWaalsContact O-N 3.11Å
89L52.6Low61.8Low82 Ų8291.6 Ų91.643%0.42950%0.501SS..SBendtrans-113.5-5.4-169.9-92.6137.8000115.3K91L89-K91 VanDerWaalsContact C-N 3.27Å; L89-K91 PolarHBondContact O-N 3.5Å
90E53.1Low62.1Low177 Ų17791.2 Ų91.283%0.82751%0.511SS*.THydrogen-bonded Turntrans-82.13.9-172-65-179.514500114.5
91K58.3Low63Low170 Ų17087 Ų8774%0.73949%0.494SS*.THydrogen-bonded Turntrans-121.114.6179-70.9-167.2173.5-170.30114.7L89 H93L89-K91 VanDerWaalsContact C-N 3.27Å; L89-K91 PolarHBondContact O-N 3.5Å; K91-H93 PolarHBondContact O-CD2 2.82Å; K91-H93 VanDerWaalsContact O-CD2 3.27Å
92Q68.9Low63.1Low30 Ų3089.6 Ų89.614%0.1451%0.51CS..  trans-97.9131.9-179.6-63.6-171.6-55.100110.8Y94 T111 D112Q92-Y94 HydrophobicContact CB-CE2 3.95Å; Q92-Y94 VanDerWaalsContact O-CD2 3.24Å; Q92-Y94 WeakPolarHBondContact O-CD2 3.37Å; Q92-Y94 WeakPolarHBondContact O-CE2 3.12Å; Q92-T111 WeakPolarHBondContact CA-O 3.39Å; Q92-D112 WeakPolarHBondContact CG-OD1 3.48Å; Q92-D112 PolarHBondContact NE2-OD1 2.89Å
93H81.3Confident64Low38 Ų3888.7 Ų88.718%0.17652%0.517CS..EExtended strand (participates in β ladder)trans-105.6128.2-174.1-63.9-104.1000109.2R75 K91 R110 T111 E114 C117R75-H93 PolarHBondContact NH2-ND1 3.11Å; K91-H93 PolarHBondContact O-CD2 2.82Å; K91-H93 VanDerWaalsContact O-CD2 3.27Å; H93-R110 CarbonylContact O-C 3.52Å; H93-R110 WeakPolarHBondContact O-CA 3.08Å; H93-R110 VanDerWaalsContact O-CB 3.22Å; H93-R110 WeakPolarHBondContact O-CB 3.48Å; H93-T111 PolarHBondContact N-O 2.82Å; H93-T111 PolarHBondContact O-N 3.17Å; H93-E114 VanDerWaalsContact CE1-CB 3.43Å; H93-E114 WeakPolarHBondContact CE1-CB 3.11Å; H93-E114 IonicContact CE1-OE2 2.72Å; H93-E114 PolarHBondContact CE1-OE2 3.01Å; H93-C117 HydrophobicContact CB-CB 3.72Å
94Y84.6Confident65.2Low16 Ų1685 Ų856%0.06349%0.49CS..EExtended strand (participates in β ladder)trans-112141.9-168-64.5-100000111.1W39 T76 A78 P79 Q92 R110W39-Y94 AromaticContact CH2-CD1 3.8Å; W39-Y94 HydrophobicContact CH2-CD1 3.8Å; W39-Y94 AromaticContact CH2-CE1 3.87Å; W39-Y94 HydrophobicContact CH2-CE1 3.87Å; W39-Y94 AromaticContact CZ2-CD1 3.86Å; W39-Y94 HydrophobicContact CZ2-CD1 3.86Å; W39-Y94 AromaticContact CZ2-CE1 3.53Å; W39-Y94 HydrophobicContact CZ2-CE1 3.53Å; T76-Y94 PolarHBondContact N-O 3.17Å; A78-Y94 HydrophobicContact CB-CD2 3.87Å; A78-Y94 HydrophobicContact CB-CE2 3.8Å; P79-Y94 HydrophobicContact CG-CE1 4.44Å; Q92-Y94 HydrophobicContact CB-CE2 3.95Å; Q92-Y94 VanDerWaalsContact O-CD2 3.24Å; Q92-Y94 WeakPolarHBondContact O-CD2 3.37Å; Q92-Y94 WeakPolarHBondContact O-CE2 3.12Å; Y94-R110 HydrophobicContact CD1-CB 3.71Å; Y94-R110 HydrophobicContact CD1-CG 4.47Å; Y94-R110 HydrophobicContact CE1-CB 3.93Å; Y94-R110 HydrophobicContact CE1-CG 4.25Å; Y94-R110 HydrophobicContact CG-CB 4.11Å; Y94-R110 PolarHBondContact OH-NH1 2.99Å; Y94-R110 VanDerWaalsContact OH-NH1 3.14Å
95F88Confident66.6Low2 Ų286 Ų861%0.00948%0.482CS..EExtended strand (participates in β ladder)trans-144.7157171.666.2-85000112L29 E74 L109 T111 W120 V121 I124L29-F95 HydrophobicContact CD1-CZ 4.01Å; L29-F95 HydrophobicContact CD2-CE1 4.23Å; L29-F95 HydrophobicContact CD2-CZ 4.26Å; E74-F95 WeakPolarHBondContact O-CA 3.4Å; F95-L109 HydrophobicContact CD1-CB 4.34Å; F95-L109 HydrophobicContact CD2-CB 4.27Å; F95-L109 HydrophobicContact CE1-CB 3.94Å; F95-L109 HydrophobicContact CE2-CB 3.87Å; F95-L109 HydrophobicContact CE2-CD1 3.65Å; F95-L109 HydrophobicContact CE2-CG 4.33Å; F95-L109 HydrophobicContact CZ-CB 3.7Å; F95-L109 HydrophobicContact CZ-CD1 3.88Å; F95-L109 HydrophobicContact CZ-CG 4.43Å; F95-L109 PolarHBondContact N-O 2.91Å; F95-L109 PolarHBondContact O-N 2.95Å; F95-L109 VanDerWaalsContact O-O 3.08Å; F95-T111 HydrophobicContact CE1-CG2 4.41Å; F95-W120 HydrophobicContact CE1-CB 4.12Å; F95-W120 HydrophobicContact CE2-CB 4.34Å; F95-W120 HydrophobicContact CZ-CB 3.73Å; F95-W120 HydrophobicContact CZ-CG 4.27Å; F95-V121 HydrophobicContact CB-CG2 3.57Å; F95-V121 HydrophobicContact CD1-CG2 4.45Å; F95-V121 HydrophobicContact CD2-CG2 3.99Å; F95-V121 HydrophobicContact CG-CG2 3.78Å; F95-I124 HydrophobicContact CE2-CD1 3.73Å; F95-I124 HydrophobicContact CZ-CD1 4.44Å
96L87.5Confident68.4Low38 Ų3885 Ų8520%0.19946%0.462CS..EExtended strand (participates in β ladder)trans-124.3131.2-171.8-167.871.3000109.7C73 E74 V98 P106 E108C73-L96 WeakPolarHBondContact CA-O 3.4Å; E74-L96 PolarHBondContact N-O 3.19Å; E74-L96 PolarHBondContact O-N 3.48Å; L96-V98 HydrophobicContact CD2-CG2 3.69Å; L96-V98 HydrophobicContact CG-CG2 3.99Å; L96-P106 HydrophobicContact CD1-CB 3.74Å; L96-P106 HydrophobicContact CD1-CG 3.98Å; L96-P106 HydrophobicContact CD2-CB 4.14Å; L96-P106 HydrophobicContact CD2-CG 4.3Å; L96-P106 HydrophobicContact CG-CB 3.88Å; L96-P106 HydrophobicContact CG-CG 4.41Å; L96-E108 HydrophobicContact CD1-CB 4.36Å; L96-E108 HydrophobicContact CD1-CG 3.54Å
97I87.3Confident70.2Confident0 Ų076.9 Ų76.90%043%0.427CS..EExtended strand (participates in β ladder)trans-101116.9166.2-43.2-178.7000108.5L51 L68 C71 F99 P106 L107 L109 I124L51-I97 HydrophobicContact CD2-CD1 3.77Å; L68-I97 HydrophobicContact CD2-CD1 4.16Å; L68-I97 HydrophobicContact CD2-CG2 4.1Å; C71-I97 HydrophobicContact CB-CG2 3.92Å; C71-I97 VanDerWaalsContact SG-CG2 3.53Å; I97-F99 HydrophobicContact CB-CZ 4.32Å; I97-F99 HydrophobicContact CG2-CE1 4.02Å; I97-F99 HydrophobicContact CG2-CE2 4.43Å; I97-F99 HydrophobicContact CG2-CZ 3.94Å; I97-P106 CarbonylContact O-C 3.53Å; I97-P106 VanDerWaalsContact O-CA 3.25Å; I97-P106 WeakPolarHBondContact O-CA 3.36Å; I97-P106 VanDerWaalsContact O-CB 3.28Å; I97-P106 WeakPolarHBondContact O-CB 3.44Å; I97-L107 HydrophobicContact CB-CB 4.23Å; I97-L107 HydrophobicContact CD1-CD2 4.15Å; I97-L107 PolarHBondContact N-O 2.88Å; I97-L107 PolarHBondContact O-N 3.34Å; I97-L109 HydrophobicContact CD1-CD1 4.02Å; I97-L109 HydrophobicContact CG1-CD1 4.39Å; I97-I124 HydrophobicContact CD1-CD1 3.83Å; I97-I124 HydrophobicContact CD1-CG2 4.05Å; I97-I124 HydrophobicContact CG1-CD1 4.43Å; I97-I124 HydrophobicContact CG1-CG2 4.3Å; I97-I124 HydrophobicContact CG2-CG2 4.37Å
98V84.1Confident72.3Confident54 Ų5472.6 Ų72.633%0.32741%0.407SS..EExtended strand (participates in β ladder)trans-104117.2177.3-173.20000108.7C71 T72 L96 P106C71-V98 CarbonylContact C-O 3.53Å; C71-V98 WeakPolarHBondContact CA-O 3.3Å; C71-V98 VanDerWaalsContact CB-O 3.27Å; C71-V98 WeakPolarHBondContact CB-O 3.22Å; T72-V98 PolarHBondContact N-O 3.27Å; T72-V98 PolarHBondContact O-N 3.47Å; L96-V98 HydrophobicContact CD2-CG2 3.69Å; L96-V98 HydrophobicContact CG-CG2 3.99Å; V98-P106 HydrophobicContact CG2-CB 4.09Å
99F82Confident74.1Confident14 Ų1468.6 Ų68.66%0.06137%0.373CS..EExtended strand (participates in β ladder)trans-87.7125.1-179.9-56.6-82.3000110.1Y66 L67 L68 C71 I97 H101 Q104 L107Y66-F99 HydrophobicContact CD1-CE1 4.23Å; Y66-F99 HydrophobicContact CD1-CE2 4.01Å; Y66-F99 AromaticContact CD1-CZ 3.51Å; Y66-F99 HydrophobicContact CD1-CZ 3.51Å; Y66-F99 HydrophobicContact CE1-CE2 4.36Å; Y66-F99 HydrophobicContact CE1-CZ 4.25Å; Y66-F99 AromaticContact CG-CZ 4Å; Y66-F99 HydrophobicContact CG-CZ 4Å; L67-F99 WeakPolarHBondContact O-CD1 3.37Å; L67-F99 WeakPolarHBondContact O-CE1 3.46Å; L68-F99 HydrophobicContact CD2-CE1 4.2Å; C71-F99 HydrophobicContact CB-CD1 3.99Å; C71-F99 HydrophobicContact CB-CE1 4.48Å; I97-F99 HydrophobicContact CB-CZ 4.32Å; I97-F99 HydrophobicContact CG2-CE1 4.02Å; I97-F99 HydrophobicContact CG2-CE2 4.43Å; I97-F99 HydrophobicContact CG2-CZ 3.94Å; F99-H101 PolarHBondContact O-N 2.82Å; F99-Q104 HydrophobicContact CB-CB 4.29Å; F99-L107 HydrophobicContact CE2-CB 4.08Å; F99-L107 HydrophobicContact CZ-CB 4.46Å
100G65.6Low75.7Confident67 Ų6766.1 Ų66.169%0.69136%0.358SS*.SBendtrans-68.217.4-175.400000117.1G70G70-G100 PolarHBondContact O-N 3.28Å
101H66.1Low77.3Confident126 Ų12658 Ų5858%0.58332%0.321SS*.SBendtrans-108.8125.2176.4-77-52000111.1F99 G103 Q104F99-H101 PolarHBondContact O-N 2.82Å; H101-G103 PolarHBondContact O-N 3.37Å; H101-Q104 PolarHBondContact O-N 3.21Å
102D53.3Low78.4Confident175 Ų17554.7 Ų54.794%0.93631%0.311SS*.THydrogen-bonded Turntrans-46.1133.3-179-85.4-47.7000113.9
103G59.8Low78.9Confident87 Ų8759.3 Ų59.390%0.89733%0.333SS*.THydrogen-bonded Turntrans83.9-0.317500000116.2H101H101-G103 PolarHBondContact O-N 3.37Å
104Q68.1Low78.9Confident59 Ų5962.1 Ų62.128%0.27635%0.346SS..PPolyproline II helixtrans-81.1126.8171.5-61.5-16629.900111.4F99 H101F99-Q104 HydrophobicContact CB-CB 4.29Å; H101-Q104 PolarHBondContact O-N 3.21Å
105K75.4Confident78.8Confident163 Ų16365.1 Ų65.171%0.70937%0.368SS*.PPolyproline II helixtrans-68.5136.6168.2-72.7-169.9177.3-174.40109.5
106P80.4Confident78.7Confident59 Ų5968.9 Ų68.938%0.38339%0.386SS..PPolyproline II helixtrans-69.2158.4178.132.4-37.6000111.4L96 I97 V98L96-P106 HydrophobicContact CD1-CB 3.74Å; L96-P106 HydrophobicContact CD1-CG 3.98Å; L96-P106 HydrophobicContact CD2-CB 4.14Å; L96-P106 HydrophobicContact CD2-CG 4.3Å; L96-P106 HydrophobicContact CG-CB 3.88Å; L96-P106 HydrophobicContact CG-CG 4.41Å; I97-P106 CarbonylContact O-C 3.53Å; I97-P106 VanDerWaalsContact O-CA 3.25Å; I97-P106 WeakPolarHBondContact O-CA 3.36Å; I97-P106 VanDerWaalsContact O-CB 3.28Å; I97-P106 WeakPolarHBondContact O-CB 3.44Å; V98-P106 HydrophobicContact CG2-CB 4.09Å
107L85.1Confident78.6Confident9 Ų967 Ų675%0.04738%0.376CS..EExtended strand (participates in β ladder)trans-97.7104.7-177.4-177.461000110.5K31 F44 Y66 I97 F99 L109K31-L107 HydrophobicContact CD-CD1 4.11Å; K31-L107 HydrophobicContact CG-CD1 4.06Å; F44-L107 HydrophobicContact CE1-CD2 4.5Å; Y66-L107 HydrophobicContact CD2-CD2 3.94Å; Y66-L107 HydrophobicContact CE1-CD2 4.28Å; Y66-L107 HydrophobicContact CE2-CD1 4.42Å; Y66-L107 HydrophobicContact CE2-CD2 3.63Å; Y66-L107 HydrophobicContact CG-CD2 4.39Å; I97-L107 HydrophobicContact CB-CB 4.23Å; I97-L107 HydrophobicContact CD1-CD2 4.15Å; I97-L107 PolarHBondContact N-O 2.88Å; I97-L107 PolarHBondContact O-N 3.34Å; F99-L107 HydrophobicContact CE2-CB 4.08Å; F99-L107 HydrophobicContact CZ-CB 4.46Å; L107-L109 HydrophobicContact CD1-CD2 4.2Å; L107-L109 HydrophobicContact CD2-CD1 4.04Å; L107-L109 HydrophobicContact CD2-CD2 4.23Å; L107-L109 HydrophobicContact CD2-CG 4.31Å; L107-L109 HydrophobicContact CG-CD1 4.19Å; L107-L109 HydrophobicContact CG-CD2 3.94Å; L107-L109 HydrophobicContact CG-CG 3.95Å
108E86.8Confident78.6Confident74 Ų7470.3 Ų70.335%0.34639%0.394SS..EExtended strand (participates in β ladder)trans-78118.9173.3-70179.3-109.600111.1K32 W39 L96K32-E108 HydrophobicContact CB-CB 3.96Å; K32-E108 HydrophobicContact CD-CB 4.07Å; K32-E108 HydrophobicContact CD-CG 4.32Å; K32-E108 VanDerWaalsContact CD-OE1 3.31Å; K32-E108 WeakPolarHBondContact CD-OE1 3.42Å; K32-E108 WeakPolarHBondContact CD-OE2 3.32Å; K32-E108 WeakPolarHBondContact CE-OE2 3.47Å; K32-E108 PolarHBondContact N-O 3.34Å; K32-E108 IonicContact NZ-OE1 3.24Å; K32-E108 PolarHBondContact NZ-OE1 3.2Å; K32-E108 IonicContact NZ-OE2 3.18Å; K32-E108 PolarHBondContact NZ-OE2 3.45Å; W39-E108 HydrophobicContact CH2-CB 3.95Å; L96-E108 HydrophobicContact CD1-CB 4.36Å; L96-E108 HydrophobicContact CD1-CG 3.54Å
109L87.6Confident78.8Confident1 Ų172.2 Ų72.21%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-127.2158.2179-58.8175.5000110.5L29 S30 K31 F44 F95 I97 L107L29-L109 HydrophobicContact CD1-CD1 4.14Å; S30-L109 CarbonylContact O-C 3.6Å; S30-L109 WeakPolarHBondContact O-CA 3.36Å; K31-L109 HydrophobicContact CB-CD2 3.84Å; K31-L109 HydrophobicContact CG-CD2 4.09Å; F44-L109 HydrophobicContact CE1-CD1 4.41Å; F44-L109 HydrophobicContact CE1-CD2 4.24Å; F44-L109 HydrophobicContact CE2-CD2 4.17Å; F44-L109 HydrophobicContact CZ-CD1 4.48Å; F44-L109 HydrophobicContact CZ-CD2 3.57Å; F95-L109 HydrophobicContact CD1-CB 4.34Å; F95-L109 HydrophobicContact CD2-CB 4.27Å; F95-L109 HydrophobicContact CE1-CB 3.94Å; F95-L109 HydrophobicContact CE2-CB 3.87Å; F95-L109 HydrophobicContact CE2-CD1 3.65Å; F95-L109 HydrophobicContact CE2-CG 4.33Å; F95-L109 HydrophobicContact CZ-CB 3.7Å; F95-L109 HydrophobicContact CZ-CD1 3.88Å; F95-L109 HydrophobicContact CZ-CG 4.43Å; F95-L109 PolarHBondContact N-O 2.91Å; F95-L109 PolarHBondContact O-N 2.95Å; F95-L109 VanDerWaalsContact O-O 3.08Å; I97-L109 HydrophobicContact CD1-CD1 4.02Å; I97-L109 HydrophobicContact CG1-CD1 4.39Å; L107-L109 HydrophobicContact CD1-CD2 4.2Å; L107-L109 HydrophobicContact CD2-CD1 4.04Å; L107-L109 HydrophobicContact CD2-CD2 4.23Å; L107-L109 HydrophobicContact CD2-CG 4.31Å; L107-L109 HydrophobicContact CG-CD1 4.19Å; L107-L109 HydrophobicContact CG-CD2 3.94Å; L107-L109 HydrophobicContact CG-CG 3.95Å
110R87.3Confident79.2Confident30 Ų3071.6 Ų71.611%0.11340%0.397CS..EExtended strand (participates in β ladder)trans-151.5151.8173.470.9-172.7-171.5159.711.8113.1S30 W39 H93 Y94S30-R110 VanDerWaalsContact CB-NE 3.33Å; S30-R110 PolarHBondContact N-O 2.73Å; S30-R110 VanDerWaalsContact N-O 3.1Å; S30-R110 PolarHBondContact O-N 3.05Å; W39-R110 HydrophobicContact CE3-CG 3.9Å; W39-R110 HydrophobicContact CH2-CB 4.43Å; W39-R110 HydrophobicContact CH2-CG 4.34Å; W39-R110 HydrophobicContact CZ3-CB 4.19Å; W39-R110 HydrophobicContact CZ3-CG 3.8Å; H93-R110 CarbonylContact O-C 3.52Å; H93-R110 WeakPolarHBondContact O-CA 3.08Å; H93-R110 VanDerWaalsContact O-CB 3.22Å; H93-R110 WeakPolarHBondContact O-CB 3.48Å; Y94-R110 HydrophobicContact CD1-CB 3.71Å; Y94-R110 HydrophobicContact CD1-CG 4.47Å; Y94-R110 HydrophobicContact CE1-CB 3.93Å; Y94-R110 HydrophobicContact CE1-CG 4.25Å; Y94-R110 HydrophobicContact CG-CB 4.11Å; Y94-R110 PolarHBondContact OH-NH1 2.99Å; Y94-R110 VanDerWaalsContact OH-NH1 3.14Å
111T85.9Confident80.3Confident6 Ų669.6 Ų69.64%0.03737%0.371CS..EExtended strand (participates in β ladder)trans-114.6166.2171.353.50000110.8L29 Q92 H93 F95 E113 E116 C117L29-T111 HydrophobicContact CD2-CG2 3.42Å; L29-T111 VanDerWaalsContact CD2-CG2 3.42Å; Q92-T111 WeakPolarHBondContact CA-O 3.39Å; H93-T111 PolarHBondContact N-O 2.82Å; H93-T111 PolarHBondContact O-N 3.17Å; F95-T111 HydrophobicContact CE1-CG2 4.41Å; T111-E113 PolarHBondContact OG1-O 3.49Å; T111-E116 HydrophobicContact CG2-CB 3.91Å; T111-C117 WeakPolarHBondContact OG1-CB 3.47Å
112D81.2Confident81.3Confident100 Ų10069.1 Ų69.154%0.53537%0.369SS..SBendtrans-91.9-11.6171-65.9-45.6000113.1Q92Q92-D112 WeakPolarHBondContact CG-OD1 3.48Å; Q92-D112 PolarHBondContact NE2-OD1 2.89Å
113E80Confident83Confident127 Ų12761.5 Ų61.559%0.59333%0.33SS*.SBendtrans-121.8147.7174.1-66.5-162.5-177.900112.9T111 E116 C117T111-E113 PolarHBondContact OG1-O 3.49Å; E113-E116 HydrophobicContact CB-CB 4.48Å; E113-E116 HydrophobicContact CB-CG 4.35Å; E113-C117 PolarHBondContact O-N 2.99Å
114E81.1Confident84.3Confident97 Ų9757.4 Ų57.445%0.45329%0.288SS..Hα-helixtrans-69.1-44.9179.3-169.8154-16500112.7R75 H93 E116 C117 D118R75-E114 IonicContact CZ-OE1 2.67Å; R75-E114 VanDerWaalsContact CZ-OE1 3.24Å; R75-E114 IonicContact NH1-OE1 2.75Å; R75-E114 PolarHBondContact NH1-OE1 2.86Å; R75-E114 IonicContact NH2-OE1 2.77Å; R75-E114 PolarHBondContact NH2-OE1 3.05Å; H93-E114 VanDerWaalsContact CE1-CB 3.43Å; H93-E114 WeakPolarHBondContact CE1-CB 3.11Å; H93-E114 IonicContact CE1-OE2 2.72Å; H93-E114 PolarHBondContact CE1-OE2 3.01Å; E114-E116 VanDerWaalsContact C-N 3.33Å; E114-E116 PolarHBondContact O-N 2.85Å; E114-C117 VanDerWaalsContact O-CB 3.25Å; E114-C117 WeakPolarHBondContact O-CB 3.35Å; E114-C117 PolarHBondContact O-N 2.85Å; E114-D118 PolarHBondContact O-N 2.75Å
115C83.3Confident85.1Confident79 Ų7957.1 Ų57.153%0.53429%0.286SS..Hα-helixtrans-61.8-42.4-179.6-1620000111.2C117 D118 E119C115-C117 VanDerWaalsContact C-N 3.32Å; C115-C117 PolarHBondContact O-N 2.59Å; C115-D118 PolarHBondContact O-N 2.96Å; C115-E119 WeakPolarHBondContact O-CB 3.42Å; C115-E119 WeakPolarHBondContact O-CG 3.19Å; C115-E119 PolarHBondContact O-N 2.9Å
116E85Confident85.5Confident81 Ų8155.4 Ų55.438%0.37928%0.281SS..Hα-helixtrans-62.5-38.2173.4-69.4-157.4134.200112.6T111 E113 E114 W120T111-E116 HydrophobicContact CG2-CB 3.91Å; E113-E116 HydrophobicContact CB-CB 4.48Å; E113-E116 HydrophobicContact CB-CG 4.35Å; E114-E116 VanDerWaalsContact C-N 3.33Å; E114-E116 PolarHBondContact O-N 2.85Å; E116-W120 WeakPolarHBondContact O-CB 3.17Å; E116-W120 PolarHBondContact O-N 3.28Å
117C85.8Confident85.7Confident0 Ų053 Ų530%027%0.266CS..Hα-helixtrans-59.7-51.5177.3-173.30000110.8H93 T111 E113 E114 C115 W120 V121H93-C117 HydrophobicContact CB-CB 3.72Å; T111-C117 WeakPolarHBondContact OG1-CB 3.47Å; E113-C117 PolarHBondContact O-N 2.99Å; E114-C117 VanDerWaalsContact O-CB 3.25Å; E114-C117 WeakPolarHBondContact O-CB 3.35Å; E114-C117 PolarHBondContact O-N 2.85Å; C115-C117 VanDerWaalsContact C-N 3.32Å; C115-C117 PolarHBondContact O-N 2.59Å; C117-W120 PolarHBondContact O-N 3.04Å; C117-V121 WeakPolarHBondContact O-CG2 3.29Å; C117-V121 PolarHBondContact O-N 3.21Å
118D86.4Confident85.5Confident69 Ų6952.6 Ų52.637%0.36926%0.264SS..Hα-helixtrans-69.2-40.2-175.4-65.7-25.7000111.1R75 E114 C115 W120 V121 E122R75-D118 WeakPolarHBondContact CD-OD1 3.32Å; R75-D118 IonicContact CZ-OD1 2.71Å; R75-D118 IonicContact NE-OD1 2.84Å; R75-D118 VanDerWaalsContact NH1-CG 3.25Å; R75-D118 IonicContact NH1-OD1 2.66Å; R75-D118 PolarHBondContact NH1-OD1 3.32Å; R75-D118 IonicContact NH1-OD2 3.35Å; R75-D118 PolarHBondContact NH1-OD2 3.03Å; E114-D118 PolarHBondContact O-N 2.75Å; C115-D118 PolarHBondContact O-N 2.96Å; D118-W120 VanDerWaalsContact C-N 3.33Å; D118-W120 PolarHBondContact O-N 2.97Å; D118-V121 PolarHBondContact O-N 3.15Å; D118-E122 PolarHBondContact O-N 3.06Å
119E88.9Confident85.1Confident94 Ų9453.8 Ų53.844%0.43927%0.266SS..Hα-helixtrans-62.5-35.2171.9-74.4179.6-151.200113.4K25 C115 A123K25-E119 HydrophobicContact CD-CB 4.25Å; K25-E119 IonicContact NZ-OE2 2.7Å; K25-E119 PolarHBondContact NZ-OE2 2.99Å; C115-E119 WeakPolarHBondContact O-CB 3.42Å; C115-E119 WeakPolarHBondContact O-CG 3.19Å; C115-E119 PolarHBondContact O-N 2.9Å; E119-A123 VanDerWaalsContact O-CB 3.26Å; E119-A123 WeakPolarHBondContact O-CB 3.44Å; E119-A123 PolarHBondContact O-N 3.47Å
120W90.4Very high84.3Confident1 Ų154.7 Ų54.70%0.00427%0.272CS..Hα-helixtrans-71.1-41.8175.9-88.5114.9000111.2K25 L29 F44 L46 L51 F95 E116 C117 D118 I124K25-W120 HydrophobicContact CB-CE3 4.17Å; K25-W120 HydrophobicContact CB-CH2 4.18Å; K25-W120 HydrophobicContact CB-CZ3 3.91Å; K25-W120 HydrophobicContact CD-CD2 3.69Å; K25-W120 HydrophobicContact CD-CE3 3.91Å; K25-W120 HydrophobicContact CD-CG 3.97Å; K25-W120 HydrophobicContact CD-CZ3 4.45Å; K25-W120 HydrophobicContact CG-CD2 3.96Å; K25-W120 HydrophobicContact CG-CE3 3.98Å; K25-W120 HydrophobicContact CG-CH2 4.04Å; K25-W120 HydrophobicContact CG-CZ2 4Å; K25-W120 HydrophobicContact CG-CZ3 4.02Å; K25-W120 WeakPolarHBondContact O-CH2 3.35Å; L29-W120 HydrophobicContact CD1-CD2 4.03Å; L29-W120 HydrophobicContact CD1-CE3 4.38Å; L29-W120 HydrophobicContact CD1-CG 4.43Å; L29-W120 HydrophobicContact CD1-CH2 4.48Å; L29-W120 HydrophobicContact CD1-CZ2 4.15Å; L29-W120 HydrophobicContact CD2-CG 4.32Å; L29-W120 HydrophobicContact CG-CZ2 4.37Å; F44-W120 HydrophobicContact CB-CH2 4Å; F44-W120 HydrophobicContact CB-CZ2 4.47Å; L46-W120 HydrophobicContact CB-CZ3 4.21Å; L51-W120 HydrophobicContact CD1-CZ3 4.31Å; F95-W120 HydrophobicContact CE1-CB 4.12Å; F95-W120 HydrophobicContact CE2-CB 4.34Å; F95-W120 HydrophobicContact CZ-CB 3.73Å; F95-W120 HydrophobicContact CZ-CG 4.27Å; E116-W120 WeakPolarHBondContact O-CB 3.17Å; E116-W120 PolarHBondContact O-N 3.28Å; C117-W120 PolarHBondContact O-N 3.04Å; D118-W120 VanDerWaalsContact C-N 3.33Å; D118-W120 PolarHBondContact O-N 2.97Å; W120-I124 HydrophobicContact CE3-CD1 4.24Å; W120-I124 WeakPolarHBondContact O-CB 3.32Å; W120-I124 VanDerWaalsContact O-CD1 3.3Å; W120-I124 WeakPolarHBondContact O-CD1 3.44Å; W120-I124 WeakPolarHBondContact O-CG1 3.38Å; W120-I124 PolarHBondContact O-N 3.35Å
121V88.3Confident83.5Confident24 Ų2458.5 Ų58.515%0.14530%0.295CS..Hα-helixtrans-60.7-48.4174.8170.50000110.6C73 F95 C117 D118 I124 Q125C73-V121 HydrophobicContact CB-CG1 4.38Å; F95-V121 HydrophobicContact CB-CG2 3.57Å; F95-V121 HydrophobicContact CD1-CG2 4.45Å; F95-V121 HydrophobicContact CD2-CG2 3.99Å; F95-V121 HydrophobicContact CG-CG2 3.78Å; C117-V121 WeakPolarHBondContact O-CG2 3.29Å; C117-V121 PolarHBondContact O-N 3.21Å; D118-V121 PolarHBondContact O-N 3.15Å; V121-I124 PolarHBondContact O-N 3.42Å; V121-Q125 WeakPolarHBondContact O-CB 3.43Å; V121-Q125 PolarHBondContact O-N 3.15Å
122E87.8Confident82.9Confident117 Ų11763.3 Ų63.355%0.54732%0.319SS..Hα-helixtrans-61.5-49.1178.9-170.2-175.6178.700111.8D118 I124 Q125 Q126D118-E122 PolarHBondContact O-N 3.06Å; E122-I124 VanDerWaalsContact C-N 3.29Å; E122-I124 PolarHBondContact O-N 3.41Å; E122-Q125 PolarHBondContact O-N 2.78Å; E122-Q126 HydrophobicContact CG-CG 4.38Å; E122-Q126 WeakPolarHBondContact O-CG 3.45Å; E122-Q126 PolarHBondContact O-N 2.88Å; E122-Q126 PolarHBondContact OE1-NE2 3.46Å
123A87.4Confident82.6Confident15 Ų1561.5 Ų61.512%0.12431%0.309CS..Hα-helixtrans-61.3-36.9-179.500000112.6K25 L46 E119 A127K25-A123 HydrophobicContact CB-CB 4.17Å; K25-A123 HydrophobicContact CD-CB 4.06Å; L46-A123 HydrophobicContact CD2-CB 3.98Å; L46-A123 WeakPolarHBondContact CD2-O 3.46Å; E119-A123 VanDerWaalsContact O-CB 3.26Å; E119-A123 WeakPolarHBondContact O-CB 3.44Å; E119-A123 PolarHBondContact O-N 3.47Å; A123-A127 WeakPolarHBondContact O-CB 3.31Å; A123-A127 PolarHBondContact O-N 3.02Å; A123-A127 VanDerWaalsContact O-N 3.12Å
124I88Confident82.5Confident1 Ų160.4 Ų60.41%0.00531%0.306CS..Hα-helixtrans-72.2-40.3176.3-69.4165.2000110.9L46 L68 C73 F95 I97 W120 V121 E122 A127 S128L46-I124 HydrophobicContact CD2-CG1 4.27Å; L68-I124 HydrophobicContact CD1-CB 4.46Å; L68-I124 HydrophobicContact CD1-CG1 4.37Å; L68-I124 HydrophobicContact CD1-CG2 4.02Å; L68-I124 HydrophobicContact CD2-CG2 4.19Å; C73-I124 HydrophobicContact CB-CB 4.24Å; C73-I124 HydrophobicContact CB-CG2 3.7Å; F95-I124 HydrophobicContact CE2-CD1 3.73Å; F95-I124 HydrophobicContact CZ-CD1 4.44Å; I97-I124 HydrophobicContact CD1-CD1 3.83Å; I97-I124 HydrophobicContact CD1-CG2 4.05Å; I97-I124 HydrophobicContact CG1-CD1 4.43Å; I97-I124 HydrophobicContact CG1-CG2 4.3Å; I97-I124 HydrophobicContact CG2-CG2 4.37Å; W120-I124 HydrophobicContact CE3-CD1 4.24Å; W120-I124 WeakPolarHBondContact O-CB 3.32Å; W120-I124 VanDerWaalsContact O-CD1 3.3Å; W120-I124 WeakPolarHBondContact O-CD1 3.44Å; W120-I124 WeakPolarHBondContact O-CG1 3.38Å; W120-I124 PolarHBondContact O-N 3.35Å; V121-I124 PolarHBondContact O-N 3.42Å; E122-I124 VanDerWaalsContact C-N 3.29Å; E122-I124 PolarHBondContact O-N 3.41Å; I124-A127 CarbonylContact O-C 3.58Å; I124-A127 PolarHBondContact O-N 3.29Å; I124-S128 PolarHBondContact O-N 3.08Å; I124-S128 VanDerWaalsContact O-N 3.09Å
125Q84.9Confident82.2Confident52 Ų5262.5 Ų62.524%0.24332%0.316CS..Hα-helixtrans-65.7-45.2178.6-167.662.336.100111.1V121 E122 A127 S128 S130V121-Q125 WeakPolarHBondContact O-CB 3.43Å; V121-Q125 PolarHBondContact O-N 3.15Å; E122-Q125 PolarHBondContact O-N 2.78Å; Q125-A127 VanDerWaalsContact C-N 3.3Å; Q125-A127 PolarHBondContact O-N 3.46Å; Q125-S128 WeakPolarHBondContact O-CB 3.43Å; Q125-S128 PolarHBondContact O-N 2.95Å; Q125-S128 VanDerWaalsContact O-N 3.12Å; Q125-S128 PolarHBondContact O-OG 2.73Å; Q125-S130 PolarHBondContact NE2-OG 2.76Å
126Q84.1Confident81.9Confident127 Ų12766.6 Ų66.659%0.59332%0.32SS*.Hα-helixtrans-59.6-39.5172.5-68.2-177.714.800111.9E122 S128E122-Q126 HydrophobicContact CG-CG 4.38Å; E122-Q126 WeakPolarHBondContact O-CG 3.45Å; E122-Q126 PolarHBondContact O-N 2.88Å; E122-Q126 PolarHBondContact OE1-NE2 3.46Å; Q126-S128 PolarHBondContact O-N 3.29Å
127A84.3Confident81.6Confident10 Ų1067.7 Ų67.78%0.08333%0.325CS..Hα-helixtrans-72.3-9.5177.400000114.9L46 Q48 N49 L68 A123 I124 Q125L46-A127 HydrophobicContact CD1-CB 3.98Å; L46-A127 HydrophobicContact CD2-CB 4.1Å; L46-A127 HydrophobicContact CG-CB 4.48Å; Q48-A127 WeakPolarHBondContact O-CB 3.12Å; N49-A127 WeakPolarHBondContact CA-O 3.38Å; N49-A127 VanDerWaalsContact CB-O 3.24Å; N49-A127 WeakPolarHBondContact CB-O 3.34Å; L68-A127 HydrophobicContact CD1-CB 3.91Å; A123-A127 WeakPolarHBondContact O-CB 3.31Å; A123-A127 PolarHBondContact O-N 3.02Å; A123-A127 VanDerWaalsContact O-N 3.12Å; I124-A127 CarbonylContact O-C 3.58Å; I124-A127 PolarHBondContact O-N 3.29Å; Q125-A127 VanDerWaalsContact C-N 3.3Å; Q125-A127 PolarHBondContact O-N 3.46Å
128S80.6Confident81.4Confident0 Ų070.7 Ų70.70%034%0.344CS..THydrogen-bonded Turntrans-81.1-19.9-179.876.70000114.5L68 E69 G70 C71 I124 Q125 Q126 S130L68-S128 VanDerWaalsContact O-CA 3.29Å; L68-S128 WeakPolarHBondContact O-CA 3.4Å; L68-S128 WeakPolarHBondContact O-CB 3.49Å; E69-S128 WeakPolarHBondContact CA-O 3.42Å; G70-S128 PolarHBondContact N-O 2.64Å; C71-S128 WeakPolarHBondContact O-CB 3.41Å; C71-S128 PolarHBondContact O-OG 3.27Å; I124-S128 PolarHBondContact O-N 3.08Å; I124-S128 VanDerWaalsContact O-N 3.09Å; Q125-S128 WeakPolarHBondContact O-CB 3.43Å; Q125-S128 PolarHBondContact O-N 2.95Å; Q125-S128 VanDerWaalsContact O-N 3.12Å; Q125-S128 PolarHBondContact O-OG 2.73Å; Q126-S128 PolarHBondContact O-N 3.29Å; S128-S130 PolarHBondContact O-N 3.02Å; S128-S130 WeakPolarHBondContact OG-CB 3.45Å; S128-S130 PolarHBondContact OG-N 3.15Å; S128-S130 VanDerWaalsContact OG-N 3.13Å; S128-S130 PolarHBondContact OG-OG 3.47Å
129Y78.4Confident80.8Confident98 Ų9873 Ų7338%0.38436%0.356SS..THydrogen-bonded Turntrans55.622.5-168.6-52.2-53.2000115.3N49 D131 I132 I133N49-Y129 HydrophobicContact CB-CD2 4.34Å; N49-Y129 HydrophobicContact CB-CE2 3.8Å; Y129-D131 PolarHBondContact O-N 2.86Å; Y129-D131 VanDerWaalsContact O-N 3.14Å; Y129-I132 HydrophobicContact CD1-CD1 3.9Å; Y129-I132 HydrophobicContact CG-CD1 4.45Å; Y129-I132 PolarHBondContact O-N 3.42Å; Y129-I133 WeakPolarHBondContact O-CG1 3.41Å; Y129-I133 PolarHBondContact O-N 3.23Å; Y129-I133 VanDerWaalsContact O-N 3.16Å
130S70.4Confident80.3Confident20 Ų2073 Ų7314%0.1436%0.357CS..Hα-helixtrans-44.7-47.6178.652.50000113.3Q125 S128 I132 I133 I134Q125-S130 PolarHBondContact NE2-OG 2.76Å; S128-S130 PolarHBondContact O-N 3.02Å; S128-S130 WeakPolarHBondContact OG-CB 3.45Å; S128-S130 PolarHBondContact OG-N 3.15Å; S128-S130 VanDerWaalsContact OG-N 3.13Å; S128-S130 PolarHBondContact OG-OG 3.47Å; S130-I132 PolarHBondContact O-N 2.92Å; S130-I133 WeakPolarHBondContact O-CB 3.42Å; S130-I133 PolarHBondContact O-N 3.12Å; S130-I134 WeakPolarHBondContact O-CG1 3.49Å; S130-I134 PolarHBondContact O-N 3.07Å
131D70.9Confident79.8Confident110 Ų11079.5 Ų79.559%0.58839%0.387SS*.Hα-helixtrans-75-34-168.5-53.7-3.3000110.7Y129 I133 I134 E135Y129-D131 PolarHBondContact O-N 2.86Å; Y129-D131 VanDerWaalsContact O-N 3.14Å; D131-I133 VanDerWaalsContact C-N 3.33Å; D131-I134 PolarHBondContact O-N 2.82Å; D131-E135 WeakPolarHBondContact O-CG 3.08Å; D131-E135 PolarHBondContact O-N 3.18Å
132I74.4Confident79.2Confident107 Ų10784.8 Ų84.855%0.54941%0.408SS..Hα-helixtrans-67.3-35.9174.4-56.4178.8000110.5Y129 S130 R136Y129-I132 HydrophobicContact CD1-CD1 3.9Å; Y129-I132 HydrophobicContact CG-CD1 4.45Å; Y129-I132 PolarHBondContact O-N 3.42Å; S130-I132 PolarHBondContact O-N 2.92Å; I132-R136 VanDerWaalsContact O-CB 3.25Å; I132-R136 WeakPolarHBondContact O-CB 3.47Å; I132-R136 PolarHBondContact O-N 2.99Å
133I73.6Confident78.6Confident63 Ų6386.6 Ų86.632%0.32341%0.411SS..Hα-helixtrans-66.8-44.9174.8-64.1167.5000109.9Y129 S130 D131 R136 E137Y129-I133 WeakPolarHBondContact O-CG1 3.41Å; Y129-I133 PolarHBondContact O-N 3.23Å; Y129-I133 VanDerWaalsContact O-N 3.16Å; S130-I133 WeakPolarHBondContact O-CB 3.42Å; S130-I133 PolarHBondContact O-N 3.12Å; D131-I133 VanDerWaalsContact C-N 3.33Å; I133-R136 WeakPolarHBondContact O-CB 3.29Å; I133-R136 PolarHBondContact O-N 2.93Å; I133-E137 PolarHBondContact O-N 2.89Å
134I78Confident78.5Confident103 Ų10390 Ų9053%0.52843%0.426SS..Hα-helixtrans-62.6-46.4176.7-66.4164.1000111.2S130 D131 R136 E137 V138S130-I134 WeakPolarHBondContact O-CG1 3.49Å; S130-I134 PolarHBondContact O-N 3.07Å; D131-I134 PolarHBondContact O-N 2.82Å; I134-R136 VanDerWaalsContact C-N 3.31Å; I134-R136 PolarHBondContact O-N 2.79Å; I134-E137 PolarHBondContact O-N 3.5Å; I134-V138 WeakPolarHBondContact O-CG2 3.43Å; I134-V138 PolarHBondContact O-N 2.84Å
135E76.3Confident78.2Confident141 Ų14195.2 Ų95.266%0.65945%0.45SS*.Hα-helixtrans-59.3-42175-76.9-160.5147.400111.8D131 E137 V138 L139D131-E135 WeakPolarHBondContact O-CG 3.08Å; D131-E135 PolarHBondContact O-N 3.18Å; E135-E137 PolarHBondContact O-N 3.35Å; E135-V138 PolarHBondContact O-N 3.1Å; E135-L139 WeakPolarHBondContact O-CB 3.35Å; E135-L139 PolarHBondContact O-N 3.47Å
136R75Confident77.7Confident165 Ų16597.5 Ų97.562%0.62346%0.464SS*.Hα-helixtrans-62.3-40.9176.4178.7176.7176.1-89.9-0.9112.3I132 I133 I134 L139 M140I132-R136 VanDerWaalsContact O-CB 3.25Å; I132-R136 WeakPolarHBondContact O-CB 3.47Å; I132-R136 PolarHBondContact O-N 2.99Å; I133-R136 WeakPolarHBondContact O-CB 3.29Å; I133-R136 PolarHBondContact O-N 2.93Å; I134-R136 VanDerWaalsContact C-N 3.31Å; I134-R136 PolarHBondContact O-N 2.79Å; R136-L139 PolarHBondContact O-N 3.21Å; R136-M140 WeakPolarHBondContact O-CB 3.14Å; R136-M140 PolarHBondContact O-N 3.22Å
137E78.8Confident77.6Confident104 Ų10494.9 Ų94.949%0.48646%0.456SS..Hα-helixtrans-67.2-42.6175.6-72.4-168.8166.200112.1I133 I134 E135 L139 M140 Q141I133-E137 PolarHBondContact O-N 2.89Å; I134-E137 PolarHBondContact O-N 3.5Å; E135-E137 PolarHBondContact O-N 3.35Å; E137-L139 VanDerWaalsContact C-N 3.31Å; E137-L139 PolarHBondContact O-N 2.92Å; E137-M140 PolarHBondContact O-N 2.89Å; E137-M140 VanDerWaalsContact O-N 3.16Å; E137-Q141 WeakPolarHBondContact O-CG 3.49Å; E137-Q141 PolarHBondContact O-N 3.32Å
138V81.9Confident77.5Confident63 Ų6399.9 Ų99.938%0.38248%0.478SS..Hα-helixtrans-61.4-39.2173.5170.50000111.3I134 E135 K142I134-V138 WeakPolarHBondContact O-CG2 3.43Å; I134-V138 PolarHBondContact O-N 2.84Å; E135-V138 PolarHBondContact O-N 3.1Å; V138-K142 HydrophobicContact CG1-CD 4.22Å; V138-K142 VanDerWaalsContact O-CG 3.28Å; V138-K142 WeakPolarHBondContact O-CG 3.45Å; V138-K142 PolarHBondContact O-N 2.75Å; V138-K142 VanDerWaalsContact O-N 3.1Å
139L74.3Confident77.6Confident119 Ų119103.3 Ų103.362%0.62350%0.495SS*.Hα-helixtrans-65.3-41.5173.6-130.276.9000111.7E135 R136 E137 K142 Y143E135-L139 WeakPolarHBondContact O-CB 3.35Å; E135-L139 PolarHBondContact O-N 3.47Å; R136-L139 PolarHBondContact O-N 3.21Å; E137-L139 VanDerWaalsContact C-N 3.31Å; E137-L139 PolarHBondContact O-N 2.92Å; L139-K142 PolarHBondContact O-N 2.96Å; L139-Y143 WeakPolarHBondContact O-CB 3.42Å; L139-Y143 PolarHBondContact O-N 2.85Å
140M77.8Confident77.7Confident93 Ų93102.4 Ų102.446%0.45850%0.5SS..Hα-helixtrans-68.3-37.9-180-166.5170.77000112R136 E137 Y143 I144R136-M140 WeakPolarHBondContact O-CB 3.14Å; R136-M140 PolarHBondContact O-N 3.22Å; E137-M140 PolarHBondContact O-N 2.89Å; E137-M140 VanDerWaalsContact O-N 3.16Å; M140-Y143 PolarHBondContact O-N 2.97Å; M140-I144 HydrophobicContact CG-CD1 4.29Å; M140-I144 VanDerWaalsContact O-CG1 3.29Å; M140-I144 WeakPolarHBondContact O-CG1 3.46Å; M140-I144 PolarHBondContact O-N 3.4Å
141Q81.1Confident78.2Confident137 Ų137105.7 Ų105.764%0.6451%0.513SS*.Hα-helixtrans-63.2-44.2170.9-71.6-174.210.100111.8E137 Y143 I144 H145E137-Q141 WeakPolarHBondContact O-CG 3.49Å; E137-Q141 PolarHBondContact O-N 3.32Å; Q141-Y143 VanDerWaalsContact C-N 3.31Å; Q141-Y143 PolarHBondContact O-N 2.95Å; Q141-I144 PolarHBondContact O-N 3.26Å; Q141-H145 WeakPolarHBondContact O-CB 3.5Å; Q141-H145 PolarHBondContact O-N 3.36Å
142K74.6Confident78.8Confident135 Ų135104.9 Ų104.959%0.58751%0.512SS*.Hα-helixtrans-60.5-40.1174.5-72.8167.3-177.8172.70111.9V138 L139 H145 L146V138-K142 HydrophobicContact CG1-CD 4.22Å; V138-K142 VanDerWaalsContact O-CG 3.28Å; V138-K142 WeakPolarHBondContact O-CG 3.45Å; V138-K142 PolarHBondContact O-N 2.75Å; V138-K142 VanDerWaalsContact O-N 3.1Å; L139-K142 PolarHBondContact O-N 2.96Å; K142-H145 PolarHBondContact O-N 3.16Å; K142-L146 WeakPolarHBondContact O-CB 3.24Å; K142-L146 PolarHBondContact O-N 3.19Å
143Y76.4Confident78.9Confident156 Ų156106.3 Ų106.361%0.61252%0.516SS*.Hα-helixtrans-63.8-47174.6175.6-99.4000112.3L139 M140 Q141 H145 L146 V147L139-Y143 WeakPolarHBondContact O-CB 3.42Å; L139-Y143 PolarHBondContact O-N 2.85Å; M140-Y143 PolarHBondContact O-N 2.97Å; Q141-Y143 VanDerWaalsContact C-N 3.31Å; Q141-Y143 PolarHBondContact O-N 2.95Å; Y143-H145 VanDerWaalsContact C-N 3.32Å; Y143-H145 PolarHBondContact O-N 2.87Å; Y143-L146 PolarHBondContact O-N 3.3Å; Y143-V147 HydrophobicContact CD1-CG2 4.4Å; Y143-V147 HydrophobicContact CE1-CG2 3.97Å; Y143-V147 HydrophobicContact CE2-CG2 4.18Å; Y143-V147 WeakPolarHBondContact O-CG2 3.45Å; Y143-V147 PolarHBondContact O-N 2.89Å
144I84.7Confident79.3Confident86 Ų86108.5 Ų108.544%0.44152%0.524SS..Hα-helixtrans-60.2-42.8176.6-69.3163000110.8M140 Q141 V147 Q148M140-I144 HydrophobicContact CG-CD1 4.29Å; M140-I144 VanDerWaalsContact O-CG1 3.29Å; M140-I144 WeakPolarHBondContact O-CG1 3.46Å; M140-I144 PolarHBondContact O-N 3.4Å; Q141-I144 PolarHBondContact O-N 3.26Å; I144-V147 PolarHBondContact O-N 2.87Å; I144-Q148 WeakPolarHBondContact O-CG 3.43Å; I144-Q148 PolarHBondContact O-N 3.16Å
145H81.6Confident79.6Confident110 Ų110106.7 Ų106.751%0.50952%0.517SS..Hα-helixtrans-65.1-39.6176.4-17350.1000112.4Q141 K142 Y143 Q148 I149Q141-H145 WeakPolarHBondContact O-CB 3.5Å; Q141-H145 PolarHBondContact O-N 3.36Å; K142-H145 PolarHBondContact O-N 3.16Å; Y143-H145 VanDerWaalsContact C-N 3.32Å; Y143-H145 PolarHBondContact O-N 2.87Å; H145-Q148 WeakPolarHBondContact O-CB 3.4Å; H145-Q148 PolarHBondContact O-N 3.31Å; H145-I149 WeakPolarHBondContact O-CG1 3.41Å; H145-I149 PolarHBondContact O-N 3.43Å
146L74.6Confident79.7Confident101 Ų101102.4 Ų102.453%0.52951%0.506SS..Hα-helixtrans-63.1-41.1174.3-175.763.7000111.9K142 Y143 Q148 I149 V150K142-L146 WeakPolarHBondContact O-CB 3.24Å; K142-L146 PolarHBondContact O-N 3.19Å; Y143-L146 PolarHBondContact O-N 3.3Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-I149 PolarHBondContact O-N 2.93Å; L146-V150 WeakPolarHBondContact O-CG2 3.27Å; L146-V150 PolarHBondContact O-N 3.43Å
147V82.3Confident79.8Confident71 Ų7197 Ų9743%0.4350%0.497SS..Hα-helixtrans-63.1-40174.2170.80000111.3Y143 I144 V150 E151Y143-V147 HydrophobicContact CD1-CG2 4.4Å; Y143-V147 HydrophobicContact CE1-CG2 3.97Å; Y143-V147 HydrophobicContact CE2-CG2 4.18Å; Y143-V147 WeakPolarHBondContact O-CG2 3.45Å; Y143-V147 PolarHBondContact O-N 2.89Å; I144-V147 PolarHBondContact O-N 2.87Å; V147-V150 PolarHBondContact O-N 3.33Å; V147-E151 PolarHBondContact O-N 3.35Å
148Q82.6Confident79.9Confident115 Ų11596 Ų9654%0.53750%0.495SS..Hα-helixtrans-62.1-45.3172.8-72.7173.8-15.900111.9I144 H145 L146 V150 E151 T152I144-Q148 WeakPolarHBondContact O-CG 3.43Å; I144-Q148 PolarHBondContact O-N 3.16Å; H145-Q148 WeakPolarHBondContact O-CB 3.4Å; H145-Q148 PolarHBondContact O-N 3.31Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; Q148-V150 PolarHBondContact O-N 3.22Å; Q148-E151 PolarHBondContact O-N 3.35Å; Q148-T152 WeakPolarHBondContact O-CG2 3.49Å; Q148-T152 PolarHBondContact O-N 2.93Å; Q148-T152 PolarHBondContact O-OG1 2.97Å
149I83.1Confident79.8Confident73 Ų7398.7 Ų98.737%0.37450%0.503SS..Hα-helixtrans-57.5-51.5176-69.8165.3000110.1H145 L146 E151 T152 E153H145-I149 WeakPolarHBondContact O-CG1 3.41Å; H145-I149 PolarHBondContact O-N 3.43Å; L146-I149 PolarHBondContact O-N 2.93Å; I149-E151 VanDerWaalsContact C-N 3.33Å; I149-E151 PolarHBondContact O-N 3.26Å; I149-T152 WeakPolarHBondContact CA-OG1 3.28Å; I149-T152 PolarHBondContact O-N 2.92Å; I149-T152 VanDerWaalsContact O-N 3.15Å; I149-T152 PolarHBondContact O-OG1 3.42Å; I149-E153 PolarHBondContact O-N 2.97Å
150V79.4Confident80Confident79 Ų7997.6 Ų97.648%0.47950%0.497SS..Hα-helixtrans-59.2-41.7-179.9169.80000112L146 V147 Q148 E153 K154L146-V150 WeakPolarHBondContact O-CG2 3.27Å; L146-V150 PolarHBondContact O-N 3.43Å; V147-V150 PolarHBondContact O-N 3.33Å; Q148-V150 PolarHBondContact O-N 3.22Å; V150-E153 PolarHBondContact O-N 2.89Å; V150-K154 VanDerWaalsContact O-CB 3.24Å; V150-K154 WeakPolarHBondContact O-CB 3.37Å; V150-K154 PolarHBondContact O-N 2.85Å
151E81.8Confident80Confident88 Ų88100.3 Ų100.341%0.41150%0.502SS..Hα-helixtrans-70.3-36.8177.4-167.258.4-142.600111.9V147 Q148 I149 K154 V155V147-E151 PolarHBondContact O-N 3.35Å; Q148-E151 PolarHBondContact O-N 3.35Å; I149-E151 VanDerWaalsContact C-N 3.33Å; I149-E151 PolarHBondContact O-N 3.26Å; E151-K154 PolarHBondContact O-N 2.96Å; E151-K154 IonicContact OE1-NZ 2.64Å; E151-K154 PolarHBondContact OE1-NZ 3.16Å; E151-K154 IonicContact OE2-NZ 3.31Å; E151-K154 PolarHBondContact OE2-NZ 2.91Å; E151-V155 WeakPolarHBondContact O-CG2 3.34Å; E151-V155 PolarHBondContact O-N 3.32Å
152T82.1Confident80.1Confident94 Ų9497.2 Ų97.258%0.57749%0.493SS*.Hα-helixtrans-67.1-37.3172.858.60000113Q148 I149 V155 A156Q148-T152 WeakPolarHBondContact O-CG2 3.49Å; Q148-T152 PolarHBondContact O-N 2.93Å; Q148-T152 PolarHBondContact O-OG1 2.97Å; I149-T152 WeakPolarHBondContact CA-OG1 3.28Å; I149-T152 PolarHBondContact O-N 2.92Å; I149-T152 VanDerWaalsContact O-N 3.15Å; I149-T152 PolarHBondContact O-OG1 3.42Å; T152-V155 PolarHBondContact O-N 3.09Å; T152-A156 WeakPolarHBondContact O-CB 3Å; T152-A156 PolarHBondContact O-N 2.92Å
153E77.2Confident80.3Confident136 Ų13695.8 Ų95.864%0.63649%0.488SS*.Hα-helixtrans-65.6-41.2173.5-172.8179.2-177.400110.8I149 V150 A156 A157I149-E153 PolarHBondContact O-N 2.97Å; V150-E153 PolarHBondContact O-N 2.89Å; E153-A156 PolarHBondContact O-N 3.05Å; E153-A157 WeakPolarHBondContact O-CB 3.49Å; E153-A157 PolarHBondContact O-N 3.47Å
154K82.6Confident80.4Confident109 Ų10989.8 Ų89.847%0.47447%0.466SS..Hα-helixtrans-62.1-41.5174.4169.8163.7160.7-91.60112.6V150 E151 N158V150-K154 VanDerWaalsContact O-CB 3.24Å; V150-K154 WeakPolarHBondContact O-CB 3.37Å; V150-K154 PolarHBondContact O-N 2.85Å; E151-K154 PolarHBondContact O-N 2.96Å; E151-K154 IonicContact OE1-NZ 2.64Å; E151-K154 PolarHBondContact OE1-NZ 3.16Å; E151-K154 IonicContact OE2-NZ 3.31Å; E151-K154 PolarHBondContact OE2-NZ 2.91Å; K154-N158 PolarHBondContact O-N 3.35Å; K154-N158 VanDerWaalsContact O-N 3.08Å
155V84.1Confident80.2Confident66 Ų6690.6 Ų90.640%0.447%0.468SS..Hα-helixtrans-65.7-46.4172.8170.20000111.2E151 T152 A157 N158 Q159E151-V155 WeakPolarHBondContact O-CG2 3.34Å; E151-V155 PolarHBondContact O-N 3.32Å; T152-V155 PolarHBondContact O-N 3.09Å; V155-A157 VanDerWaalsContact C-N 3.35Å; V155-A157 PolarHBondContact O-N 2.96Å; V155-N158 PolarHBondContact O-N 3.07Å; V155-Q159 WeakPolarHBondContact O-CG 3.27Å; V155-Q159 PolarHBondContact O-N 2.87Å
156A78.9Confident80.3Confident51 Ų5189.8 Ų89.842%0.42147%0.468SS..Hα-helixtrans-63.6-3817800000112.6T152 E153 Q159 L160T152-A156 WeakPolarHBondContact O-CB 3Å; T152-A156 PolarHBondContact O-N 2.92Å; E153-A156 PolarHBondContact O-N 3.05Å; A156-Q159 PolarHBondContact O-N 2.86Å; A156-L160 VanDerWaalsContact O-CB 3.32Å; A156-L160 WeakPolarHBondContact O-CB 3.5Å; A156-L160 PolarHBondContact O-N 3.38Å
157A76.1Confident80.5Confident51 Ų5190 Ų9042%0.42147%0.466SS..Hα-helixtrans-66.9-35.2175.400000112.4E153 V155 R161E153-A157 WeakPolarHBondContact O-CB 3.49Å; E153-A157 PolarHBondContact O-N 3.47Å; V155-A157 VanDerWaalsContact C-N 3.35Å; V155-A157 PolarHBondContact O-N 2.96Å; A157-R161 WeakPolarHBondContact O-CB 3.11Å; A157-R161 PolarHBondContact O-N 2.9Å
158N81.6Confident80.3Confident84 Ų8490 Ų9045%0.44946%0.464SS..Hα-helixtrans-71.7-43.5172.8-76.8-14.8000111.9K154 V155 L160 R161 T162K154-N158 PolarHBondContact O-N 3.35Å; K154-N158 VanDerWaalsContact O-N 3.08Å; V155-N158 PolarHBondContact O-N 3.07Å; N158-L160 VanDerWaalsContact C-N 3.32Å; N158-L160 PolarHBondContact O-N 2.71Å; N158-R161 WeakPolarHBondContact O-CB 3.39Å; N158-R161 PolarHBondContact O-N 3.2Å; N158-R161 VanDerWaalsContact O-N 3.09Å; N158-T162 PolarHBondContact O-N 3.22Å; N158-T162 PolarHBondContact O-OG1 3.22Å
159Q79.6Confident80.4Confident119 Ų11989.2 Ų89.256%0.55647%0.467SS*.Hα-helixtrans-59.2-43.3173.7-73.3177.1-9.600111.8V155 A156 R161 T162 Q163V155-Q159 WeakPolarHBondContact O-CG 3.27Å; V155-Q159 PolarHBondContact O-N 2.87Å; A156-Q159 PolarHBondContact O-N 2.86Å; Q159-R161 VanDerWaalsContact C-N 3.31Å; Q159-R161 PolarHBondContact O-N 3.43Å; Q159-T162 PolarHBondContact O-N 3.48Å; Q159-Q163 WeakPolarHBondContact O-CG 3.48Å; Q159-Q163 PolarHBondContact O-N 2.89Å
160L79.1Confident80.3Confident95 Ų9589.4 Ų89.450%0.49747%0.466SS..Hα-helixtrans-64.4-35.3174.5-177.164000111.9A156 N158 L164A156-L160 VanDerWaalsContact O-CB 3.32Å; A156-L160 WeakPolarHBondContact O-CB 3.5Å; A156-L160 PolarHBondContact O-N 3.38Å; N158-L160 VanDerWaalsContact C-N 3.32Å; N158-L160 PolarHBondContact O-N 2.71Å; L160-L164 HydrophobicContact CG-CD1 4.25Å; L160-L164 WeakPolarHBondContact O-CB 3.38Å; L160-L164 WeakPolarHBondContact O-CG 3.42Å; L160-L164 PolarHBondContact O-N 2.78Å; L160-L164 VanDerWaalsContact O-N 3.11Å
161R77.2Confident80.1Confident151 Ų15187.8 Ų87.857%0.5745%0.454SS*.Hα-helixtrans-63.2-50.7174.6-172.3-166-60.8-104.2-0.4110.9A157 N158 Q159 Q163 L164 E165A157-R161 WeakPolarHBondContact O-CB 3.11Å; A157-R161 PolarHBondContact O-N 2.9Å; N158-R161 WeakPolarHBondContact O-CB 3.39Å; N158-R161 PolarHBondContact O-N 3.2Å; N158-R161 VanDerWaalsContact O-N 3.09Å; Q159-R161 VanDerWaalsContact C-N 3.31Å; Q159-R161 PolarHBondContact O-N 3.43Å; R161-Q163 PolarHBondContact O-N 3.26Å; R161-L164 WeakPolarHBondContact O-CB 3.49Å; R161-L164 PolarHBondContact O-N 3.46Å; R161-E165 WeakPolarHBondContact CD-OE1 3.4Å; R161-E165 VanDerWaalsContact CG-OE1 3.28Å; R161-E165 WeakPolarHBondContact CG-OE1 3.35Å; R161-E165 WeakPolarHBondContact O-CG 3.25Å; R161-E165 PolarHBondContact O-N 3.26Å
162T83.6Confident79.9Confident71 Ų7188.4 Ų88.444%0.43646%0.457SS..Hα-helixtrans-60.5-43.9177.9-53.80000111.5N158 Q159 L164 E165 D166N158-T162 PolarHBondContact O-N 3.22Å; N158-T162 PolarHBondContact O-OG1 3.22Å; Q159-T162 PolarHBondContact O-N 3.48Å; T162-L164 PolarHBondContact O-N 3.13Å; T162-E165 PolarHBondContact O-N 3.01Å; T162-E165 VanDerWaalsContact O-N 3.11Å; T162-D166 WeakPolarHBondContact O-CB 3.47Å; T162-D166 VanDerWaalsContact O-CG 3.24Å; T162-D166 PolarHBondContact O-N 3.43Å
163Q78.3Confident80.2Confident105 Ų10589.6 Ų89.649%0.49145%0.451SS..Hα-helixtrans-59.7-28.5174.4-75.2178.31.600113.8Q159 R161 Q167Q159-Q163 WeakPolarHBondContact O-CG 3.48Å; Q159-Q163 PolarHBondContact O-N 2.89Å; R161-Q163 PolarHBondContact O-N 3.26Å; Q163-Q167 WeakPolarHBondContact O-CB 3.47Å; Q163-Q167 WeakPolarHBondContact O-CG 3.24Å; Q163-Q167 PolarHBondContact O-N 3.04Å; Q163-Q167 VanDerWaalsContact O-N 3.12Å
164L77.7Confident80.2Confident30 Ų3086.5 Ų86.516%0.15744%0.439CS..Hα-helixtrans-82.3-34.5175.8-70.7173.4000112.2L160 R161 T162 Q167 D168 W215L160-L164 HydrophobicContact CG-CD1 4.25Å; L160-L164 WeakPolarHBondContact O-CB 3.38Å; L160-L164 WeakPolarHBondContact O-CG 3.42Å; L160-L164 PolarHBondContact O-N 2.78Å; L160-L164 VanDerWaalsContact O-N 3.11Å; R161-L164 WeakPolarHBondContact O-CB 3.49Å; R161-L164 PolarHBondContact O-N 3.46Å; T162-L164 PolarHBondContact O-N 3.13Å; L164-Q167 PolarHBondContact O-N 3.08Å; L164-D168 WeakPolarHBondContact O-CB 3.29Å; L164-D168 PolarHBondContact O-N 3.22Å; L164-W215 HydrophobicContact CD1-CZ2 3.89Å; L164-W215 HydrophobicContact CD2-CH2 4.28Å; L164-W215 HydrophobicContact CD2-CZ2 3.38Å; L164-W215 HydrophobicContact CG-CZ2 4.19Å
165E81.6Confident79.9Confident103 Ų10386.2 Ų86.248%0.48144%0.438SS..Hα-helixtrans-65.4-44.7171.9-71.1160.5177.900110.3R161 T162 Q167 D168 T169R161-E165 WeakPolarHBondContact CD-OE1 3.4Å; R161-E165 VanDerWaalsContact CG-OE1 3.28Å; R161-E165 WeakPolarHBondContact CG-OE1 3.35Å; R161-E165 WeakPolarHBondContact O-CG 3.25Å; R161-E165 PolarHBondContact O-N 3.26Å; T162-E165 PolarHBondContact O-N 3.01Å; T162-E165 VanDerWaalsContact O-N 3.11Å; E165-Q167 PolarHBondContact O-N 3.01Å; E165-D168 PolarHBondContact O-N 3.24Å; E165-T169 WeakPolarHBondContact O-CG2 3.45Å; E165-T169 PolarHBondContact O-N 2.81Å
166D83.1Confident79.7Confident94 Ų9486.9 Ų86.950%0.50345%0.445SS..Hα-helixtrans-56.5-48.7170.7-66.8-31.2000111.2T162 T169 E170T162-D166 WeakPolarHBondContact O-CB 3.47Å; T162-D166 VanDerWaalsContact O-CG 3.24Å; T162-D166 PolarHBondContact O-N 3.43Å; D166-T169 PolarHBondContact O-N 3.25Å; D166-T169 PolarHBondContact O-OG1 2.64Å; D166-E170 PolarHBondContact O-N 3.1Å
167Q78.2Confident79.9Confident105 Ų10588.5 Ų88.549%0.49144%0.444SS..Hα-helixtrans-65.1-38.4178.4-79.2174.822.800113.1Q163 L164 E165 T169 E170 I171Q163-Q167 WeakPolarHBondContact O-CB 3.47Å; Q163-Q167 WeakPolarHBondContact O-CG 3.24Å; Q163-Q167 PolarHBondContact O-N 3.04Å; Q163-Q167 VanDerWaalsContact O-N 3.12Å; L164-Q167 PolarHBondContact O-N 3.08Å; E165-Q167 PolarHBondContact O-N 3.01Å; Q167-T169 VanDerWaalsContact C-N 3.32Å; Q167-T169 PolarHBondContact O-N 3.5Å; Q167-E170 PolarHBondContact O-N 2.88Å; Q167-I171 WeakPolarHBondContact O-CB 3.3Å; Q167-I171 WeakPolarHBondContact O-CD1 3.42Å; Q167-I171 WeakPolarHBondContact O-CG1 3.44Å; Q167-I171 PolarHBondContact O-N 3.06Å
168D77.9Confident79.8Confident72 Ų7290.5 Ų90.539%0.38545%0.447SS..Hα-helixtrans-65.1-35.9175.6-79.7-29.7000110.7L164 E165 I171 E172L164-D168 WeakPolarHBondContact O-CB 3.29Å; L164-D168 PolarHBondContact O-N 3.22Å; E165-D168 PolarHBondContact O-N 3.24Å; D168-I171 PolarHBondContact O-N 3.34Å; D168-E172 PolarHBondContact O-N 3.18Å
169T85.1Confident79.7Confident97 Ų9790.5 Ų90.560%0.59545%0.449SS*.Hα-helixtrans-67.5-41172.3670000113.5E165 D166 Q167 I171 E172 R173E165-T169 WeakPolarHBondContact O-CG2 3.45Å; E165-T169 PolarHBondContact O-N 2.81Å; D166-T169 PolarHBondContact O-N 3.25Å; D166-T169 PolarHBondContact O-OG1 2.64Å; Q167-T169 VanDerWaalsContact C-N 3.32Å; Q167-T169 PolarHBondContact O-N 3.5Å; T169-I171 VanDerWaalsContact C-N 3.3Å; T169-I171 PolarHBondContact O-N 2.91Å; T169-E172 PolarHBondContact O-N 3.11Å; T169-R173 PolarHBondContact O-N 3.28Å
170E82Confident79.6Confident77 Ų7787.5 Ų87.536%0.3645%0.445SS..Hα-helixtrans-67-32.9175177.959.1-168.100111.4D166 Q167 R173 L174D166-E170 PolarHBondContact O-N 3.1Å; Q167-E170 PolarHBondContact O-N 2.88Å; E170-R173 WeakPolarHBondContact O-CB 3.4Å; E170-R173 PolarHBondContact O-N 3.33Å; E170-R173 IonicContact OE1-CZ 3.49Å; E170-R173 IonicContact OE1-NE 3.18Å; E170-R173 PolarHBondContact OE1-NE 2.94Å; E170-R173 IonicContact OE1-NH2 2.77Å; E170-R173 PolarHBondContact OE1-NH2 2.88Å; E170-R173 WeakPolarHBondContact OE2-CD 3.47Å; E170-R173 IonicContact OE2-CZ 2.8Å; E170-R173 IonicContact OE2-NE 2.82Å; E170-R173 PolarHBondContact OE2-NE 3.45Å; E170-R173 IonicContact OE2-NH2 2.62Å; E170-L174 HydrophobicContact CG-CD1 4Å; E170-L174 HydrophobicContact CG-CG 4.43Å; E170-L174 WeakPolarHBondContact O-CB 3.4Å; E170-L174 VanDerWaalsContact O-CG 3.26Å; E170-L174 WeakPolarHBondContact O-CG 2.88Å; E170-L174 PolarHBondContact O-N 3.43Å
171I73.8Confident79.1Confident45 Ų4587.9 Ų87.923%0.23145%0.447CS..Hα-helixtrans-64.5-42.1172.5-74.4163.3000111.1Q167 D168 T169 L174 K175 M212Q167-I171 WeakPolarHBondContact O-CB 3.3Å; Q167-I171 WeakPolarHBondContact O-CD1 3.42Å; Q167-I171 WeakPolarHBondContact O-CG1 3.44Å; Q167-I171 PolarHBondContact O-N 3.06Å; D168-I171 PolarHBondContact O-N 3.34Å; T169-I171 VanDerWaalsContact C-N 3.3Å; T169-I171 PolarHBondContact O-N 2.91Å; I171-L174 PolarHBondContact O-N 3.09Å; I171-K175 HydrophobicContact CG2-CD 4.09Å; I171-K175 HydrophobicContact CG2-CG 4.5Å; I171-K175 WeakPolarHBondContact O-CB 3.48Å; I171-K175 VanDerWaalsContact O-CG 3.23Å; I171-K175 WeakPolarHBondContact O-CG 3.37Å; I171-K175 PolarHBondContact O-N 3.22Å; I171-M212 HydrophobicContact CD1-CE 3.66Å; I171-M212 HydrophobicContact CG1-CE 4.18Å
172E77.4Confident78.7Confident101 Ų10184.4 Ų84.447%0.47244%0.44SS..Hα-helixtrans-68.1-34.9173.6-67.7-51.3141.900112.8D168 T169 K175 S176D168-E172 PolarHBondContact O-N 3.18Å; T169-E172 PolarHBondContact O-N 3.11Å; E172-K175 WeakPolarHBondContact OE1-CD 3.41Å; E172-K175 IonicContact OE1-NZ 3.66Å; E172-K175 PolarHBondContact OE1-NZ 3.25Å; E172-K175 VanDerWaalsContact OE2-CD 3.28Å; E172-K175 WeakPolarHBondContact OE2-CD 3.27Å; E172-K175 IonicContact OE2-NZ 3.42Å; E172-S176 WeakPolarHBondContact O-CB 3.33Å; E172-S176 PolarHBondContact O-N 3.18Å; E172-S176 PolarHBondContact O-OG 2.84Å
173R89.8Confident78Confident119 Ų11987.9 Ų87.945%0.44945%0.448SS..Hα-helixtrans-61.3-48.8171.7-160.5-165.967.3668.1111.1T169 E170 S176 E177T169-R173 PolarHBondContact O-N 3.28Å; E170-R173 WeakPolarHBondContact O-CB 3.4Å; E170-R173 PolarHBondContact O-N 3.33Å; E170-R173 IonicContact OE1-CZ 3.49Å; E170-R173 IonicContact OE1-NE 3.18Å; E170-R173 PolarHBondContact OE1-NE 2.94Å; E170-R173 IonicContact OE1-NH2 2.77Å; E170-R173 PolarHBondContact OE1-NH2 2.88Å; E170-R173 WeakPolarHBondContact OE2-CD 3.47Å; E170-R173 IonicContact OE2-CZ 2.8Å; E170-R173 IonicContact OE2-NE 2.82Å; E170-R173 PolarHBondContact OE2-NE 3.45Å; E170-R173 IonicContact OE2-NH2 2.62Å; R173-S176 WeakPolarHBondContact O-CB 3.46Å; R173-S176 PolarHBondContact O-N 3.36Å; R173-E177 IonicContact CZ-OE2 2.8Å; R173-E177 IonicContact NH1-OE2 2.93Å; R173-E177 PolarHBondContact NH1-OE2 3.11Å; R173-E177 IonicContact NH2-OE2 3.64Å; R173-E177 PolarHBondContact NH2-OE2 3.24Å; R173-E177 WeakPolarHBondContact O-CB 3.38Å; R173-E177 PolarHBondContact O-N 2.8Å
174L76.2Confident77.3Confident71 Ų7187 Ų8737%0.37245%0.45SS..Hα-helixtrans-68.1-36.1178.7-71.9169.2000112.8E170 I171 S176 E177 I178E170-L174 HydrophobicContact CG-CD1 4Å; E170-L174 HydrophobicContact CG-CG 4.43Å; E170-L174 WeakPolarHBondContact O-CB 3.4Å; E170-L174 VanDerWaalsContact O-CG 3.26Å; E170-L174 WeakPolarHBondContact O-CG 2.88Å; E170-L174 PolarHBondContact O-N 3.43Å; I171-L174 PolarHBondContact O-N 3.09Å; L174-S176 VanDerWaalsContact C-N 3.34Å; L174-E177 PolarHBondContact O-N 3.1Å; L174-I178 WeakPolarHBondContact O-CB 3.31Å; L174-I178 WeakPolarHBondContact O-CD1 3.29Å; L174-I178 WeakPolarHBondContact O-CG1 3.35Å; L174-I178 PolarHBondContact O-N 2.93Å
175K77.1Confident76.4Confident104 Ų10491.9 Ų91.945%0.45247%0.47SS..Hα-helixtrans-59.4-46.3170.2-78.4166.1179.3175.50110.9I171 E172 E177 I178 V179I171-K175 HydrophobicContact CG2-CD 4.09Å; I171-K175 HydrophobicContact CG2-CG 4.5Å; I171-K175 WeakPolarHBondContact O-CB 3.48Å; I171-K175 VanDerWaalsContact O-CG 3.23Å; I171-K175 WeakPolarHBondContact O-CG 3.37Å; I171-K175 PolarHBondContact O-N 3.22Å; E172-K175 WeakPolarHBondContact OE1-CD 3.41Å; E172-K175 IonicContact OE1-NZ 3.66Å; E172-K175 PolarHBondContact OE1-NZ 3.25Å; E172-K175 VanDerWaalsContact OE2-CD 3.28Å; E172-K175 WeakPolarHBondContact OE2-CD 3.27Å; E172-K175 IonicContact OE2-NZ 3.42Å; K175-E177 VanDerWaalsContact C-N 3.33Å; K175-E177 PolarHBondContact O-N 2.94Å; K175-I178 PolarHBondContact O-N 3.18Å; K175-V179 WeakPolarHBondContact O-CG2 3.29Å; K175-V179 PolarHBondContact O-N 2.9Å
176S80.4Confident74.9Confident79 Ų7994.9 Ų94.955%0.55248%0.484SS*.Hα-helixtrans-62-41.8177.9-57.90000111.7E172 R173 L174 V179 A180E172-S176 WeakPolarHBondContact O-CB 3.33Å; E172-S176 PolarHBondContact O-N 3.18Å; E172-S176 PolarHBondContact O-OG 2.84Å; R173-S176 WeakPolarHBondContact O-CB 3.46Å; R173-S176 PolarHBondContact O-N 3.36Å; L174-S176 VanDerWaalsContact C-N 3.34Å; S176-V179 PolarHBondContact O-N 3.42Å; S176-A180 PolarHBondContact O-N 3.3Å
177E81.3Confident73.3Confident85 Ų85101 Ų10140%0.39750%0.5SS..Hα-helixtrans-64.8-43.4175.3-166.2172.5169.800112R173 L174 K175 V179 A180 L181R173-E177 IonicContact CZ-OE2 2.8Å; R173-E177 IonicContact NH1-OE2 2.93Å; R173-E177 PolarHBondContact NH1-OE2 3.11Å; R173-E177 IonicContact NH2-OE2 3.64Å; R173-E177 PolarHBondContact NH2-OE2 3.24Å; R173-E177 WeakPolarHBondContact O-CB 3.38Å; R173-E177 PolarHBondContact O-N 2.8Å; L174-E177 PolarHBondContact O-N 3.1Å; K175-E177 VanDerWaalsContact C-N 3.33Å; K175-E177 PolarHBondContact O-N 2.94Å; E177-V179 VanDerWaalsContact C-N 3.34Å; E177-V179 PolarHBondContact O-N 3.39Å; E177-A180 PolarHBondContact O-N 2.78Å; E177-L181 HydrophobicContact CG-CD1 4.3Å; E177-L181 WeakPolarHBondContact O-CB 3.38Å; E177-L181 WeakPolarHBondContact O-CG 3.43Å; E177-L181 PolarHBondContact O-N 3.43Å
178I74.6Confident71.9Confident94 Ų94103.2 Ų103.248%0.48251%0.513SS..Hα-helixtrans-62.9-37.8174.4-72.2164.7000111.7L174 K175 L181 N182L174-I178 WeakPolarHBondContact O-CB 3.31Å; L174-I178 WeakPolarHBondContact O-CD1 3.29Å; L174-I178 WeakPolarHBondContact O-CG1 3.35Å; L174-I178 PolarHBondContact O-N 2.93Å; K175-I178 PolarHBondContact O-N 3.18Å; I178-L181 PolarHBondContact O-N 2.95Å; I178-N182 WeakPolarHBondContact O-CB 3.4Å; I178-N182 PolarHBondContact O-N 3.5Å; I178-N182 PolarHBondContact O-ND2 2.98Å
179V80.4Confident69.9Low84 Ų84110 Ų11051%0.50953%0.533SS..Hα-helixtrans-66.3-40.3174.8168.90000111.3K175 S176 E177 N182 K183K175-V179 WeakPolarHBondContact O-CG2 3.29Å; K175-V179 PolarHBondContact O-N 2.9Å; S176-V179 PolarHBondContact O-N 3.42Å; E177-V179 VanDerWaalsContact C-N 3.34Å; E177-V179 PolarHBondContact O-N 3.39Å; V179-N182 PolarHBondContact O-N 3.37Å; V179-K183 PolarHBondContact O-N 3.41Å
180A76.3Confident67.9Low55 Ų55111.6 Ų111.646%0.45555%0.545SS..Hα-helixtrans-65.6-42.4174.100000112.3S176 E177 K183 T184S176-A180 PolarHBondContact O-N 3.3Å; E177-A180 PolarHBondContact O-N 2.78Å; A180-K183 PolarHBondContact O-N 3.25Å; A180-T184 PolarHBondContact O-N 2.93Å; A180-T184 PolarHBondContact O-OG1 3.48Å
181L70.1Confident66.1Low104 Ų104118.1 Ų118.155%0.54557%0.568SS.*Hα-helixtrans-64.5-41176-73.4168.2000111.7E177 I178 T184 K185E177-L181 HydrophobicContact CG-CD1 4.3Å; E177-L181 WeakPolarHBondContact O-CB 3.38Å; E177-L181 WeakPolarHBondContact O-CG 3.43Å; E177-L181 PolarHBondContact O-N 3.43Å; I178-L181 PolarHBondContact O-N 2.95Å; L181-T184 CarbonylContact O-C 3.53Å; L181-T184 WeakPolarHBondContact O-CB 3.35Å; L181-T184 PolarHBondContact O-N 3.41Å; L181-K185 VanDerWaalsContact O-CB 3.32Å; L181-K185 WeakPolarHBondContact O-CB 3.35Å; L181-K185 PolarHBondContact O-N 2.96Å
182N66.9Low64.2Low78 Ų78125 Ų12542%0.41760%0.599SS.*Hα-helixtrans-66.4-43.7176.4-78.8-32.2000112.3I178 V179 T184 K185 E186I178-N182 WeakPolarHBondContact O-CB 3.4Å; I178-N182 PolarHBondContact O-N 3.5Å; I178-N182 PolarHBondContact O-ND2 2.98Å; V179-N182 PolarHBondContact O-N 3.37Å; N182-T184 PolarHBondContact O-N 2.95Å; N182-K185 WeakPolarHBondContact O-CB 3.44Å; N182-K185 PolarHBondContact O-N 3.23Å; N182-E186 PolarHBondContact O-N 2.9Å
183K70.1Confident62.1Low143 Ų143125.9 Ų125.962%0.62261%0.61SS**Hα-helixtrans-58.8-29.6171.1-80.2-176.9173.8178.40113.3V179 A180V179-K183 PolarHBondContact O-N 3.41Å; A180-K183 PolarHBondContact O-N 3.25Å
184T64.3Low59.9Low87 Ų87129.9 Ų129.953%0.53463%0.627SS.*Hα-helixtrans-77.3-37.8175.1-52.60000111.3A180 L181 N182 R187A180-T184 PolarHBondContact O-N 2.93Å; A180-T184 PolarHBondContact O-OG1 3.48Å; L181-T184 CarbonylContact O-C 3.53Å; L181-T184 WeakPolarHBondContact O-CB 3.35Å; L181-T184 PolarHBondContact O-N 3.41Å; N182-T184 PolarHBondContact O-N 2.95Å; T184-R187 PolarHBondContact O-N 3.31Å
185K56.9Low57.9Low132 Ų132135.3 Ų135.357%0.57465%0.65SS**Hα-helixtrans-69.5-34.4178.4-169.8174.7-175.9174.50113.1L181 N182 R187 M188L181-K185 VanDerWaalsContact O-CB 3.32Å; L181-K185 WeakPolarHBondContact O-CB 3.35Å; L181-K185 PolarHBondContact O-N 2.96Å; N182-K185 WeakPolarHBondContact O-CB 3.44Å; N182-K185 PolarHBondContact O-N 3.23Å; K185-R187 PolarHBondContact O-N 2.79Å; K185-M188 CarbonylContact O-C 3.51Å; K185-M188 PolarHBondContact O-N 3.01Å; K185-M188 VanDerWaalsContact O-N 3.14Å
186E50.9Low56.2Low166 Ų166138.7 Ų138.778%0.77667%0.667SS**Hα-helixtrans-65.2-26.6173.7-74.1-177.8143.500112.9N182 M188N182-E186 PolarHBondContact O-N 2.9Å; E186-M188 VanDerWaalsContact C-N 3.28Å; E186-M188 PolarHBondContact O-N 3.47Å
187R50.4Low54.3Low222 Ų222142.2 Ų142.284%0.83868%0.68SS**THydrogen-bonded Turntrans-78.3-8.5174.3-67.9179.1172.5-174.4-3.6113.8T184 K185T184-R187 PolarHBondContact O-N 3.31Å; K185-R187 PolarHBondContact O-N 2.79Å
188M47.3Very low52.7Low152 Ų152143 Ų14375%0.74968%0.683SS**  trans-13379.2-170.1-69.3-66.2-74.500112.2K185 E186K185-M188 CarbonylContact O-C 3.51Å; K185-M188 PolarHBondContact O-N 3.01Å; K185-M188 VanDerWaalsContact O-N 3.14Å; E186-M188 VanDerWaalsContact C-N 3.28Å; E186-M188 PolarHBondContact O-N 3.47Å
189R35.7Very low52.1Low216 Ų216142.1 Ų142.182%0.81568%0.68SS**  trans-138.3125.4160.6-78.3-165.7175.8-143.52.8111.1
190P44.1Very low51.2Low129 Ų129142.4 Ų142.484%0.83868%0.684SS**  -110.8-179.5121-13.731.5000113.5
191Y44.1Very low50.4Low215 Ų215143.6 Ų143.684%0.84368%0.682SS**  trans-48141.7174.9-85.5-111.6000115.2
192H34.7Very low50.1Low190 Ų190142.3 Ų142.388%0.8868%0.675SS**  -158.8173.7124-113.571.8000113.5
193V32.7Very low49.8Very low118 Ų118143.5 Ų143.572%0.71568%0.677SS**  trans-99.2166.1-163.8175.30000112.3
194Y43.8Very low49.7Very low203 Ų203142.9 Ų142.980%0.79667%0.674SS**  trans-31.2138.3177.6-72.9-89.4000117.3
195H33.8Very low50Low186 Ų186143.2 Ų143.286%0.86167%0.671SS**  trans-147.4123.2135.8-118.9-77.6000109.5
196E41Very low50.2Low175 Ų175142.4 Ų142.482%0.81867%0.668SS**  trans-83.9119.4172.2-72.7-162.6129.200111
197N40.3Very low50.7Low152 Ų152142.3 Ų142.381%0.81367%0.665SS**  trans-146.3123.8147.5-93.9-54.8000105.8D199N197-D199 PolarHBondContact O-N 3.43Å
198E48.5Very low51.7Low101 Ų101135.7 Ų135.747%0.47265%0.649SS.*  trans-67.9101.2178.6-96-153128.200110.4K203 K206E198-K203 WeakPolarHBondContact OE2-CE 3.37Å; E198-K203 IonicContact OE2-NZ 2.79Å; E198-K203 PolarHBondContact OE2-NZ 3.21Å; E198-K206 IonicContact OE1-NZ 3.59Å; E198-K206 PolarHBondContact OE1-NZ 2.87Å
199D61.6Low52.2Low76 Ų76132.7 Ų132.741%0.40663%0.633SS.*  trans-46129.5175-169.2-41.8000111.5N197 D201 I202 K203N197-D199 PolarHBondContact O-N 3.43Å; D199-D201 PolarHBondContact O-N 2.87Å; D199-D201 VanDerWaalsContact O-N 3.15Å; D199-D201 WeakPolarHBondContact OD1-CB 3.34Å; D199-D201 PolarHBondContact OD1-N 3.26Å; D199-I202 HydrophobicContact CB-CB 4.3Å; D199-I202 HydrophobicContact CB-CD1 3.92Å; D199-I202 HydrophobicContact CB-CG1 3.99Å; D199-I202 WeakPolarHBondContact O-CB 3.17Å; D199-I202 PolarHBondContact O-N 2.77Å; D199-K203 PolarHBondContact O-N 3.48Å
200P61.5Low53.2Low91 Ų91126.3 Ų126.359%0.59162%0.622SS**Hα-helixtrans-56.1-27.9176.523.9-34.8000113.2K203 K204P200-K203 WeakPolarHBondContact O-CB 3.4Å; P200-K203 PolarHBondContact O-N 3.3Å; P200-K204 PolarHBondContact O-N 2.93Å
201D59Low54.1Low79 Ų79126.6 Ų126.642%0.42261%0.61SS.*Hα-helixtrans-76-29.8177.1-70.4-10000112.2D199 K203 K204 I205D199-D201 PolarHBondContact O-N 2.87Å; D199-D201 VanDerWaalsContact O-N 3.15Å; D199-D201 WeakPolarHBondContact OD1-CB 3.34Å; D199-D201 PolarHBondContact OD1-N 3.26Å; D201-K203 VanDerWaalsContact C-N 3.27Å; D201-K203 PolarHBondContact O-N 2.87Å; D201-K204 WeakPolarHBondContact O-CB 3.35Å; D201-K204 PolarHBondContact O-N 2.82Å; D201-K204 VanDerWaalsContact OD1-CD 3.27Å; D201-K204 WeakPolarHBondContact OD1-CD 3.47Å; D201-K204 WeakPolarHBondContact OD1-CE 3.46Å; D201-K204 IonicContact OD1-NZ 2.65Å; D201-K204 PolarHBondContact OD1-NZ 2.94Å; D201-I205 WeakPolarHBondContact O-CB 3.48Å; D201-I205 WeakPolarHBondContact O-CD1 3.34Å; D201-I205 VanDerWaalsContact O-CG1 3.24Å; D201-I205 WeakPolarHBondContact O-CG1 3.45Å; D201-I205 PolarHBondContact O-N 2.88Å
202I64.3Low54.8Low78 Ų78120.1 Ų120.140%0.459%0.588SS.*Hα-helixtrans-62.4-37.5166.8-68.6172.9000110.2D199 I205 K206D199-I202 HydrophobicContact CB-CB 4.3Å; D199-I202 HydrophobicContact CB-CD1 3.92Å; D199-I202 HydrophobicContact CB-CG1 3.99Å; D199-I202 WeakPolarHBondContact O-CB 3.17Å; D199-I202 PolarHBondContact O-N 2.77Å; I202-I205 PolarHBondContact O-N 3.45Å; I202-K206 HydrophobicContact CG2-CD 4.13Å; I202-K206 HydrophobicContact CG2-CG 4.44Å; I202-K206 WeakPolarHBondContact O-CB 3.33Å; I202-K206 VanDerWaalsContact O-CG 3.3Å; I202-K206 WeakPolarHBondContact O-CG 3.3Å; I202-K206 PolarHBondContact O-N 2.81Å
203K61.9Low56.3Low103 Ų103118.8 Ų118.845%0.44858%0.576SS.*Hα-helixtrans-68.2-35.9173.3-71.9-171.9171.8780112.8E198 D199 P200 D201 K207E198-K203 WeakPolarHBondContact OE2-CE 3.37Å; E198-K203 IonicContact OE2-NZ 2.79Å; E198-K203 PolarHBondContact OE2-NZ 3.21Å; D199-K203 PolarHBondContact O-N 3.48Å; P200-K203 WeakPolarHBondContact O-CB 3.4Å; P200-K203 PolarHBondContact O-N 3.3Å; D201-K203 VanDerWaalsContact C-N 3.27Å; D201-K203 PolarHBondContact O-N 2.87Å; K203-K207 PolarHBondContact O-N 3.49Å
204K66.9Low57.2Low130 Ų130114.4 Ų114.457%0.56555%0.554SS**Hα-helixtrans-63.5-47.9170.7-65.5174.9-163.6162.10111.1P200 D201 K206 K207 V208P200-K204 PolarHBondContact O-N 2.93Å; D201-K204 WeakPolarHBondContact O-CB 3.35Å; D201-K204 PolarHBondContact O-N 2.82Å; D201-K204 VanDerWaalsContact OD1-CD 3.27Å; D201-K204 WeakPolarHBondContact OD1-CD 3.47Å; D201-K204 WeakPolarHBondContact OD1-CE 3.46Å; D201-K204 IonicContact OD1-NZ 2.65Å; D201-K204 PolarHBondContact OD1-NZ 2.94Å; K204-K206 PolarHBondContact O-N 3.25Å; K204-K207 WeakPolarHBondContact O-CB 3.4Å; K204-K207 PolarHBondContact O-N 3.39Å; K204-K207 VanDerWaalsContact O-N 3.12Å; K204-V208 WeakPolarHBondContact O-CG2 3.45Å; K204-V208 PolarHBondContact O-N 3.27Å
205I70.5Confident58.4Low94 Ų94107.9 Ų107.948%0.48253%0.528SS..Hα-helixtrans-60.2-45.7178-68.6162.5000110.8D201 I202 K207 V208 Q209D201-I205 WeakPolarHBondContact O-CB 3.48Å; D201-I205 WeakPolarHBondContact O-CD1 3.34Å; D201-I205 VanDerWaalsContact O-CG1 3.24Å; D201-I205 WeakPolarHBondContact O-CG1 3.45Å; D201-I205 PolarHBondContact O-N 2.88Å; I202-I205 PolarHBondContact O-N 3.45Å; I205-K207 VanDerWaalsContact C-N 3.32Å; I205-K207 PolarHBondContact O-N 3.45Å; I205-V208 PolarHBondContact O-N 3.5Å; I205-Q209 HydrophobicContact CG2-CG 4.37Å; I205-Q209 WeakPolarHBondContact O-CB 3.47Å; I205-Q209 WeakPolarHBondContact O-CG 3.49Å; I205-Q209 PolarHBondContact O-N 3.37Å
206K61.1Low59.6Low114 Ų114103.6 Ų103.650%0.49651%0.511SS..Hα-helixtrans-58.8-39.9174.2-74.8175180-178.10112E198 I202 K204 S210E198-K206 IonicContact OE1-NZ 3.59Å; E198-K206 PolarHBondContact OE1-NZ 2.87Å; I202-K206 HydrophobicContact CG2-CD 4.13Å; I202-K206 HydrophobicContact CG2-CG 4.44Å; I202-K206 WeakPolarHBondContact O-CB 3.33Å; I202-K206 VanDerWaalsContact O-CG 3.3Å; I202-K206 WeakPolarHBondContact O-CG 3.3Å; I202-K206 PolarHBondContact O-N 2.81Å; K204-K206 PolarHBondContact O-N 3.25Å; K206-S210 WeakPolarHBondContact O-CB 3.42Å; K206-S210 PolarHBondContact O-N 2.79Å
207K61.6Low60.8Low164 Ų16499.4 Ų99.471%0.71350%0.5SS*.Hα-helixtrans-65.5-46.6173.1-84.2-173.6173.4-176.50113.1K203 K204 I205 S210 F211K203-K207 PolarHBondContact O-N 3.49Å; K204-K207 WeakPolarHBondContact O-CB 3.4Å; K204-K207 PolarHBondContact O-N 3.39Å; K204-K207 VanDerWaalsContact O-N 3.12Å; I205-K207 VanDerWaalsContact C-N 3.32Å; I205-K207 PolarHBondContact O-N 3.45Å; K207-S210 WeakPolarHBondContact O-CB 3.37Å; K207-S210 PolarHBondContact O-N 3.15Å; K207-F211 PolarHBondContact O-N 3.32Å
208V71.6Confident61.9Low84 Ų8499.6 Ų99.651%0.50949%0.489SS..Hα-helixtrans-63.8-42178.3173.70000110.7K204 I205 S210 F211 M212K204-V208 WeakPolarHBondContact O-CG2 3.45Å; K204-V208 PolarHBondContact O-N 3.27Å; I205-V208 PolarHBondContact O-N 3.5Å; V208-S210 PolarHBondContact O-N 2.84Å; V208-F211 PolarHBondContact O-N 2.78Å; V208-M212 HydrophobicContact CG1-SD 4.43Å; V208-M212 WeakPolarHBondContact O-CB 3.35Å; V208-M212 PolarHBondContact O-N 3.43Å
209Q58.2Low62.7Low89 Ų89100 Ų10042%0.41649%0.486SS..Hα-helixtrans-63.2-39.5172.6-73.4-171.31400112.5I205 M212 R213I205-Q209 HydrophobicContact CG2-CG 4.37Å; I205-Q209 WeakPolarHBondContact O-CB 3.47Å; I205-Q209 WeakPolarHBondContact O-CG 3.49Å; I205-Q209 PolarHBondContact O-N 3.37Å; Q209-M212 PolarHBondContact O-N 2.88Å; Q209-R213 WeakPolarHBondContact O-CB 3.32Å; Q209-R213 WeakPolarHBondContact O-CG 3.34Å; Q209-R213 PolarHBondContact O-N 3.38Å
210S56.3Low62.7Low82 Ų82103.5 Ų103.557%0.57350%0.498SS*.Hα-helixtrans-64.1-42.3174.8-179.20000111.4K206 K207 V208 R213 G214K206-S210 WeakPolarHBondContact O-CB 3.42Å; K206-S210 PolarHBondContact O-N 2.79Å; K207-S210 WeakPolarHBondContact O-CB 3.37Å; K207-S210 PolarHBondContact O-N 3.15Å; V208-S210 PolarHBondContact O-N 2.84Å; S210-R213 PolarHBondContact O-N 3.37Å; S210-G214 PolarHBondContact O-N 2.93Å
211F62Low62.3Low135 Ų135107.5 Ų107.559%0.59250%0.501SS*.Hα-helixtrans-63.6-46.7174.6-174.9-92.3000111.9K207 V208 G214 W215K207-F211 PolarHBondContact O-N 3.32Å; V208-F211 PolarHBondContact O-N 2.78Å; F211-G214 CarbonylContact O-C 3.49Å; F211-G214 PolarHBondContact O-N 3.44Å; F211-W215 WeakPolarHBondContact O-CB 3.4Å; F211-W215 PolarHBondContact O-N 3.45Å
212M59.6Low62.5Low78 Ų78111.2 Ų111.238%0.38451%0.514SS..Hα-helixtrans-63.2-41175.7-80.8-173.9156.500112.4I171 V208 Q209 W215 L216I171-M212 HydrophobicContact CD1-CE 3.66Å; I171-M212 HydrophobicContact CG1-CE 4.18Å; V208-M212 HydrophobicContact CG1-SD 4.43Å; V208-M212 WeakPolarHBondContact O-CB 3.35Å; V208-M212 PolarHBondContact O-N 3.43Å; Q209-M212 PolarHBondContact O-N 2.88Å; M212-W215 PolarHBondContact O-N 2.93Å; M212-L216 VanDerWaalsContact O-CB 3.32Å; M212-L216 WeakPolarHBondContact O-CB 3.36Å; M212-L216 VanDerWaalsContact O-CG 3.3Å; M212-L216 WeakPolarHBondContact O-CG 3.22Å; M212-L216 PolarHBondContact O-N 3.42Å
213R65.8Low62.8Low163 Ų163111.3 Ų111.362%0.61551%0.514SS*.Hα-helixtrans-61-47.9171.9-71.8171.9-152.8-132.48.6110.5Q209 S210 W215 L216 C217Q209-R213 WeakPolarHBondContact O-CB 3.32Å; Q209-R213 WeakPolarHBondContact O-CG 3.34Å; Q209-R213 PolarHBondContact O-N 3.38Å; S210-R213 PolarHBondContact O-N 3.37Å; R213-W215 VanDerWaalsContact C-N 3.3Å; R213-W215 PolarHBondContact O-N 2.78Å; R213-L216 PolarHBondContact O-N 2.72Å; R213-C217 WeakPolarHBondContact O-CB 3.19Å; R213-C217 PolarHBondContact O-N 3.42Å; R213-C217 PolarHBondContact O-SG 2.98Å
214G52.6Low62.8Low25 Ų25110.8 Ų110.826%0.25852%0.516SS..Hα-helixtrans-64.8-28.5176.300000114.3S210 F211 R218S210-G214 PolarHBondContact O-N 2.93Å; F211-G214 CarbonylContact O-C 3.49Å; F211-G214 PolarHBondContact O-N 3.44Å; G214-R218 WeakPolarHBondContact O-CB 3.4Å; G214-R218 WeakPolarHBondContact O-CG 3.36Å; G214-R218 PolarHBondContact O-N 3.41Å; G214-R218 VanDerWaalsContact O-N 3.14Å; G214-R218 PolarHBondContact O-NE 2.89Å
215W67.8Low62.6Low67 Ų67107.2 Ų107.225%0.25450%0.504SS..Hα-helixtrans-76.8-44.8173175.486.5000111.5L164 F211 M212 R213 C217 R218 R219L164-W215 HydrophobicContact CD1-CZ2 3.89Å; L164-W215 HydrophobicContact CD2-CH2 4.28Å; L164-W215 HydrophobicContact CD2-CZ2 3.38Å; L164-W215 HydrophobicContact CG-CZ2 4.19Å; F211-W215 WeakPolarHBondContact O-CB 3.4Å; F211-W215 PolarHBondContact O-N 3.45Å; M212-W215 PolarHBondContact O-N 2.93Å; R213-W215 VanDerWaalsContact C-N 3.3Å; R213-W215 PolarHBondContact O-N 2.78Å; W215-C217 VanDerWaalsContact C-N 3.34Å; W215-C217 PolarHBondContact O-N 2.92Å; W215-R218 CarbonylContact O-C 3.59Å; W215-R218 PolarHBondContact O-N 2.9Å; W215-R218 VanDerWaalsContact O-N 3.14Å; W215-R219 WeakPolarHBondContact O-CB 3.35Å; W215-R219 PolarHBondContact O-N 2.91Å
216L60.6Low62.5Low96 Ų96107.3 Ų107.350%0.50350%0.503SS..Hα-helixtrans-61.3-40.1173-75170.5000111.8M212 R213 R219 K220M212-L216 VanDerWaalsContact O-CB 3.32Å; M212-L216 WeakPolarHBondContact O-CB 3.36Å; M212-L216 VanDerWaalsContact O-CG 3.3Å; M212-L216 WeakPolarHBondContact O-CG 3.22Å; M212-L216 PolarHBondContact O-N 3.42Å; R213-L216 PolarHBondContact O-N 2.72Å; L216-R219 PolarHBondContact O-N 3.3Å; L216-K220 WeakPolarHBondContact O-CB 3.31Å; L216-K220 PolarHBondContact O-N 3.14Å
217C64.9Low62.7Low86 Ų86106.5 Ų106.558%0.58150%0.504SS*.Hα-helixtrans-63.6-41.9172.2-71.30000111.6R213 W215 W221R213-C217 WeakPolarHBondContact O-CB 3.19Å; R213-C217 PolarHBondContact O-N 3.42Å; R213-C217 PolarHBondContact O-SG 2.98Å; W215-C217 VanDerWaalsContact C-N 3.34Å; W215-C217 PolarHBondContact O-N 2.92Å; C217-W221 VanDerWaalsContact O-CB 3.23Å; C217-W221 WeakPolarHBondContact O-CB 3.39Å; C217-W221 PolarHBondContact O-N 2.69Å
218R62.8Low63Low156 Ų156104.9 Ų104.959%0.58949%0.494SS*.Hα-helixtrans-68.8-32.3174.2-79.8175.1-74-158.93113G214 W215 K222G214-R218 WeakPolarHBondContact O-CB 3.4Å; G214-R218 WeakPolarHBondContact O-CG 3.36Å; G214-R218 PolarHBondContact O-N 3.41Å; G214-R218 VanDerWaalsContact O-N 3.14Å; G214-R218 PolarHBondContact O-NE 2.89Å; W215-R218 CarbonylContact O-C 3.59Å; W215-R218 PolarHBondContact O-N 2.9Å; W215-R218 VanDerWaalsContact O-N 3.14Å; R218-K222 VanDerWaalsContact O-CB 3.3Å; R218-K222 WeakPolarHBondContact O-CB 3.24Å; R218-K222 PolarHBondContact O-N 2.89Å
219R65.7Low62.8Low110 Ų110104.6 Ų104.642%0.41549%0.489SS..Hα-helixtrans-70.9-47.2173.7-171168.4178.3159.6-4.2111W215 L216 W221 K222 I223W215-R219 WeakPolarHBondContact O-CB 3.35Å; W215-R219 PolarHBondContact O-N 2.91Å; L216-R219 PolarHBondContact O-N 3.3Å; R219-W221 PolarHBondContact O-N 3.38Å; R219-K222 PolarHBondContact O-N 3.46Å; R219-I223 HydrophobicContact CG-CD1 4.12Å; R219-I223 WeakPolarHBondContact O-CB 3.44Å; R219-I223 WeakPolarHBondContact O-CD1 3.22Å; R219-I223 VanDerWaalsContact O-CG1 3.25Å; R219-I223 WeakPolarHBondContact O-CG1 3.35Å; R219-I223 PolarHBondContact O-N 2.89Å
220K62.6Low63.3Low150 Ų150104.5 Ų104.565%0.65250%0.497SS*.Hα-helixtrans-57.7-44.9170-92.5-163170.2-167.80111.6L216 I223 I224L216-K220 WeakPolarHBondContact O-CB 3.31Å; L216-K220 PolarHBondContact O-N 3.14Å; K220-I223 PolarHBondContact O-N 3.23Å; K220-I224 WeakPolarHBondContact O-CB 3.4Å; K220-I224 WeakPolarHBondContact O-CD1 3.41Å; K220-I224 VanDerWaalsContact O-CG1 3.23Å; K220-I224 WeakPolarHBondContact O-CG1 3.33Å; K220-I224 PolarHBondContact O-N 3.4Å
221W52.1Low64Low174 Ų174101.7 Ų101.766%0.65948%0.477SS*.Hα-helixtrans-64.6-42.7177.5-172.4-101.9000112.1C217 R219 I223 I224 V225C217-W221 VanDerWaalsContact O-CB 3.23Å; C217-W221 WeakPolarHBondContact O-CB 3.39Å; C217-W221 PolarHBondContact O-N 2.69Å; R219-W221 PolarHBondContact O-N 3.38Å; W221-I223 VanDerWaalsContact C-N 3.3Å; W221-I223 PolarHBondContact O-N 3.2Å; W221-I224 PolarHBondContact O-N 2.8Å; W221-V225 HydrophobicContact CD2-CG2 4.33Å; W221-V225 HydrophobicContact CG-CG2 4.42Å; W221-V225 HydrophobicContact CZ2-CG2 4.29Å; W221-V225 VanDerWaalsContact O-CB 3.32Å; W221-V225 WeakPolarHBondContact O-CB 3.22Å; W221-V225 VanDerWaalsContact O-CG2 3.26Å; W221-V225 WeakPolarHBondContact O-CG2 3.39Å; W221-V225 PolarHBondContact O-N 3.39Å
222K63.8Low64.4Low157 Ų157100.4 Ų100.468%0.68348%0.482SS*.Hα-helixtrans-64.8-33.9175-168.4169.5-175.41740112.1R218 R219 Q226R218-K222 VanDerWaalsContact O-CB 3.3Å; R218-K222 WeakPolarHBondContact O-CB 3.24Å; R218-K222 PolarHBondContact O-N 2.89Å; R219-K222 PolarHBondContact O-N 3.46Å; K222-Q226 WeakPolarHBondContact O-CB 3.38Å; K222-Q226 PolarHBondContact O-N 3.02Å
223I70.8Confident65Low81 Ų81101 Ų10142%0.41548%0.484SS..Hα-helixtrans-66.5-56.1171-71.1164000110.1R219 K220 W221 V225 Q226 D227R219-I223 HydrophobicContact CG-CD1 4.12Å; R219-I223 WeakPolarHBondContact O-CB 3.44Å; R219-I223 WeakPolarHBondContact O-CD1 3.22Å; R219-I223 VanDerWaalsContact O-CG1 3.25Å; R219-I223 WeakPolarHBondContact O-CG1 3.35Å; R219-I223 PolarHBondContact O-N 2.89Å; K220-I223 PolarHBondContact O-N 3.23Å; W221-I223 VanDerWaalsContact C-N 3.3Å; W221-I223 PolarHBondContact O-N 3.2Å; I223-V225 VanDerWaalsContact C-N 3.26Å; I223-V225 PolarHBondContact O-N 3.39Å; I223-Q226 CarbonylContact O-C 3.44Å; I223-Q226 WeakPolarHBondContact O-CA 3.21Å; I223-Q226 WeakPolarHBondContact O-CB 3.46Å; I223-Q226 PolarHBondContact O-N 3.08Å; I223-D227 WeakPolarHBondContact CG2-OD2 3.35Å; I223-D227 WeakPolarHBondContact O-CB 3.43Å; I223-D227 PolarHBondContact O-N 2.98Å
224I62Low65.3Low92 Ų9293.7 Ų93.747%0.47246%0.459SS..Hα-helixtrans-55.1-39.6178.2-68.8161.3000112.1K220 W221 Y228K220-I224 WeakPolarHBondContact O-CB 3.4Å; K220-I224 WeakPolarHBondContact O-CD1 3.41Å; K220-I224 VanDerWaalsContact O-CG1 3.23Å; K220-I224 WeakPolarHBondContact O-CG1 3.33Å; K220-I224 PolarHBondContact O-N 3.4Å; W221-I224 PolarHBondContact O-N 2.8Å; I224-Y228 WeakPolarHBondContact O-CB 3.38Å; I224-Y228 PolarHBondContact O-N 3.19Å
225V62.8Low66.5Low54 Ų5496.8 Ų96.833%0.32747%0.467SS..Hα-helixtrans-70.3-39175.1169.20000111.6W221 I223 Y228 I229W221-V225 HydrophobicContact CD2-CG2 4.33Å; W221-V225 HydrophobicContact CG-CG2 4.42Å; W221-V225 HydrophobicContact CZ2-CG2 4.29Å; W221-V225 VanDerWaalsContact O-CB 3.32Å; W221-V225 WeakPolarHBondContact O-CB 3.22Å; W221-V225 VanDerWaalsContact O-CG2 3.26Å; W221-V225 WeakPolarHBondContact O-CG2 3.39Å; W221-V225 PolarHBondContact O-N 3.39Å; I223-V225 VanDerWaalsContact C-N 3.26Å; I223-V225 PolarHBondContact O-N 3.39Å; V225-Y228 PolarHBondContact O-N 3.35Å; V225-I229 HydrophobicContact CG1-CD1 3.77Å; V225-I229 HydrophobicContact CG1-CG1 4.49Å; V225-I229 WeakPolarHBondContact O-CB 3.36Å; V225-I229 WeakPolarHBondContact O-CD1 3.37Å; V225-I229 WeakPolarHBondContact O-CG1 3.25Å; V225-I229 PolarHBondContact O-N 2.96Å
226Q67.1Low66.9Low97 Ų9795 Ų9545%0.45346%0.464SS..Hα-helixtrans-66.2-43.9174.4-173.563.463.200111.5K222 I223 Y228 I229 C230K222-Q226 WeakPolarHBondContact O-CB 3.38Å; K222-Q226 PolarHBondContact O-N 3.02Å; I223-Q226 CarbonylContact O-C 3.44Å; I223-Q226 WeakPolarHBondContact O-CA 3.21Å; I223-Q226 WeakPolarHBondContact O-CB 3.46Å; I223-Q226 PolarHBondContact O-N 3.08Å; Q226-Y228 VanDerWaalsContact C-N 3.33Å; Q226-I229 CarbonylContact O-C 3.6Å; Q226-I229 PolarHBondContact O-N 2.81Å; Q226-C230 PolarHBondContact NE2-SG 2.83Å; Q226-C230 VanDerWaalsContact NE2-SG 3.38Å; Q226-C230 WeakPolarHBondContact O-CB 3.47Å; Q226-C230 PolarHBondContact O-N 3.09Å; Q226-C230 PolarHBondContact O-SG 2.7Å
227D65.7Low67.6Low96 Ų9692.4 Ų92.451%0.51345%0.45SS..Hα-helixtrans-65-38176.7-61.4-20.3000110.6I223 C230 S231I223-D227 WeakPolarHBondContact CG2-OD2 3.35Å; I223-D227 WeakPolarHBondContact O-CB 3.43Å; I223-D227 PolarHBondContact O-N 2.98Å; D227-C230 CarbonylContact O-C 3.34Å; D227-C230 PolarHBondContact O-N 3.33Å; D227-S231 WeakPolarHBondContact O-CA 3.45Å; D227-S231 WeakPolarHBondContact O-CB 3.3Å; D227-S231 PolarHBondContact O-N 3.34Å
228Y67.8Low68.3Low130 Ų13094.5 Ų94.551%0.5145%0.446SS..Hα-helixtrans-65-45.6170.5179.9-97.7000111.8I224 V225 Q226 C230 S231 H233 A234I224-Y228 WeakPolarHBondContact O-CB 3.38Å; I224-Y228 PolarHBondContact O-N 3.19Å; V225-Y228 PolarHBondContact O-N 3.35Å; Q226-Y228 VanDerWaalsContact C-N 3.33Å; Y228-C230 VanDerWaalsContact C-N 3.25Å; Y228-C230 PolarHBondContact O-N 3.13Å; Y228-S231 VanDerWaalsContact O-CB 3.23Å; Y228-S231 WeakPolarHBondContact O-CB 3.1Å; Y228-S231 PolarHBondContact O-N 3.27Å; Y228-S231 PolarHBondContact O-OG 3.06Å; Y228-H233 AromaticContact CE2-CD2 3.94Å; Y228-A234 HydrophobicContact CD1-CB 4.5Å; Y228-A234 HydrophobicContact CE1-CB 4.25Å; Y228-A234 WeakPolarHBondContact O-CB 3.42Å
229I66.9Low69.2Low79 Ų7991.3 Ų91.341%0.40544%0.436SS..Hα-helixtrans-63.9-31.1176-71.8164.8000111.7V225 Q226 R238V225-I229 HydrophobicContact CG1-CD1 3.77Å; V225-I229 HydrophobicContact CG1-CG1 4.49Å; V225-I229 WeakPolarHBondContact O-CB 3.36Å; V225-I229 WeakPolarHBondContact O-CD1 3.37Å; V225-I229 WeakPolarHBondContact O-CG1 3.25Å; V225-I229 PolarHBondContact O-N 2.96Å; Q226-I229 CarbonylContact O-C 3.6Å; Q226-I229 PolarHBondContact O-N 2.81Å; I229-R238 PolarHBondContact O-NH2 3.42Å
230C68.8Low70Confident87 Ų8786.2 Ų86.259%0.58842%0.417SS*.THydrogen-bonded Turntrans-87.2-2.3172.6-66.90000113.5Q226 D227 Y228Q226-C230 PolarHBondContact NE2-SG 2.83Å; Q226-C230 VanDerWaalsContact NE2-SG 3.38Å; Q226-C230 WeakPolarHBondContact O-CB 3.47Å; Q226-C230 PolarHBondContact O-N 3.09Å; Q226-C230 PolarHBondContact O-SG 2.7Å; D227-C230 CarbonylContact O-C 3.34Å; D227-C230 PolarHBondContact O-N 3.33Å; Y228-C230 VanDerWaalsContact C-N 3.25Å; Y228-C230 PolarHBondContact O-N 3.13Å
231S71.1Confident70.9Confident22 Ų2280.8 Ų80.815%0.15440%0.395CS..SBendtrans-73.5149.6-173.2720000112.1D227 Y228 H233 A234 E235D227-S231 WeakPolarHBondContact O-CA 3.45Å; D227-S231 WeakPolarHBondContact O-CB 3.3Å; D227-S231 PolarHBondContact O-N 3.34Å; Y228-S231 VanDerWaalsContact O-CB 3.23Å; Y228-S231 WeakPolarHBondContact O-CB 3.1Å; Y228-S231 PolarHBondContact O-N 3.27Å; Y228-S231 PolarHBondContact O-OG 3.06Å; S231-H233 PolarHBondContact O-N 3.37Å; S231-H233 VanDerWaalsContact O-N 3.12Å; S231-A234 PolarHBondContact O-N 3.06Å; S231-A234 VanDerWaalsContact O-N 3.14Å; S231-A234 PolarHBondContact OG-N 2.97Å; S231-E235 PolarHBondContact O-N 3.22Å
232P71.9Confident72.4Confident108 Ų10877.3 Ų77.370%0.70139%0.386SS*.Hα-helixtrans-55-29.1169.9-26.635.2000113.1S236P232-S236 VanDerWaalsContact O-CB 3.31Å; P232-S236 WeakPolarHBondContact O-CB 3.3Å; P232-S236 PolarHBondContact O-N 3.32Å
233H71.7Confident73.4Confident90 Ų9070.2 Ų70.242%0.41736%0.356SS..Hα-helixtrans-67.4-50.3175.8-177.588.4000112Y228 S231 E235 S236 M237Y228-H233 AromaticContact CE2-CD2 3.94Å; S231-H233 PolarHBondContact O-N 3.37Å; S231-H233 VanDerWaalsContact O-N 3.12Å; H233-E235 VanDerWaalsContact C-N 3.33Å; H233-E235 PolarHBondContact O-N 2.71Å; H233-S236 PolarHBondContact O-N 3.27Å; H233-M237 WeakPolarHBondContact O-CG 3.45Å; H233-M237 PolarHBondContact O-N 3.25Å
234A71.3Confident73.9Confident11 Ų1166.4 Ų66.49%0.09134%0.336CS..Hα-helixtrans-71.1-27.7177.900000112.7Y228 S231 R238Y228-A234 HydrophobicContact CD1-CB 4.5Å; Y228-A234 HydrophobicContact CE1-CB 4.25Å; Y228-A234 WeakPolarHBondContact O-CB 3.42Å; S231-A234 PolarHBondContact O-N 3.06Å; S231-A234 VanDerWaalsContact O-N 3.14Å; S231-A234 PolarHBondContact OG-N 2.97Å; A234-R238 WeakPolarHBondContact O-CB 3.33Å; A234-R238 WeakPolarHBondContact O-CG 3.43Å; A234-R238 PolarHBondContact O-N 2.92Å; A234-R238 VanDerWaalsContact O-N 3.09Å; A234-R238 PolarHBondContact O-NE 3.46Å
235E77.5Confident74.8Confident89 Ų8965.6 Ų65.642%0.41633%0.329SS..Hα-helixtrans-65-48.2167-160.7-167.6148.500111.5S231 H233 M237 R238 K239S231-E235 PolarHBondContact O-N 3.22Å; H233-E235 VanDerWaalsContact C-N 3.33Å; H233-E235 PolarHBondContact O-N 2.71Å; E235-M237 PolarHBondContact O-N 3.47Å; E235-R238 PolarHBondContact O-N 2.99Å; E235-R238 VanDerWaalsContact O-N 3.17Å; E235-K239 PolarHBondContact O-N 3.22Å; E235-K239 WeakPolarHBondContact OE1-CE 3.34Å; E235-K239 IonicContact OE1-NZ 2.72Å; E235-K239 PolarHBondContact OE1-NZ 2.71Å
236S77.6Confident75.8Confident29 Ų2966.5 Ų66.520%0.20333%0.332CS..Hα-helixtrans-61.8-40.9176.6-166.20000112.4P232 H233 R238 K239 R240 H399P232-S236 VanDerWaalsContact O-CB 3.31Å; P232-S236 WeakPolarHBondContact O-CB 3.3Å; P232-S236 PolarHBondContact O-N 3.32Å; H233-S236 PolarHBondContact O-N 3.27Å; S236-R238 VanDerWaalsContact C-N 3.33Å; S236-R238 PolarHBondContact O-N 3.28Å; S236-K239 PolarHBondContact O-N 3.08Å; S236-R240 WeakPolarHBondContact O-CB 3.43Å; S236-R240 PolarHBondContact O-N 3.5Å; S236-H399 WeakPolarHBondContact OG-CA 3.4Å; S236-H399 PolarHBondContact OG-ND1 3.29Å; S236-H399 PolarHBondContact OG-O 3.4Å
237M75.5Confident76.6Confident43 Ų4362.3 Ų62.321%0.21231%0.313CS..Hα-helixtrans-67.3-31.1175.8-72-59.5-63.700112.9H233 E235 N241 P401H233-M237 WeakPolarHBondContact O-CG 3.45Å; H233-M237 PolarHBondContact O-N 3.25Å; E235-M237 PolarHBondContact O-N 3.47Å; M237-N241 WeakPolarHBondContact O-CB 3.41Å; M237-N241 PolarHBondContact O-N 3.13Å; M237-N241 PolarHBondContact O-ND2 3.5Å; M237-N241 PolarHBondContact O-OD1 2.65Å; M237-P401 HydrophobicContact SD-CG 4.16Å
238R78.4Confident77.3Confident129 Ų12958.3 Ų58.349%0.48729%0.292SS..Hα-helixtrans-67.5-44.2169.3-80.4173-69.2-168.3-1.4111.7I229 A234 E235 S236 N241 Q242I229-R238 PolarHBondContact O-NH2 3.42Å; A234-R238 WeakPolarHBondContact O-CB 3.33Å; A234-R238 WeakPolarHBondContact O-CG 3.43Å; A234-R238 PolarHBondContact O-N 2.92Å; A234-R238 VanDerWaalsContact O-N 3.09Å; A234-R238 PolarHBondContact O-NE 3.46Å; E235-R238 PolarHBondContact O-N 2.99Å; E235-R238 VanDerWaalsContact O-N 3.17Å; S236-R238 VanDerWaalsContact C-N 3.33Å; S236-R238 PolarHBondContact O-N 3.28Å; R238-N241 PolarHBondContact O-N 2.69Å; R238-Q242 PolarHBondContact O-N 3.45Å
239K81.4Confident77.8Confident89 Ų8958.1 Ų58.139%0.38730%0.296SS..Hα-helixtrans-61.1-46.4174.9-69.9176.5-175.7171.40111.6E235 S236 N241 Q242 I243 H399E235-K239 PolarHBondContact O-N 3.22Å; E235-K239 WeakPolarHBondContact OE1-CE 3.34Å; E235-K239 IonicContact OE1-NZ 2.72Å; E235-K239 PolarHBondContact OE1-NZ 2.71Å; S236-K239 PolarHBondContact O-N 3.08Å; K239-N241 VanDerWaalsContact C-N 3.33Å; K239-N241 PolarHBondContact O-N 3.43Å; K239-Q242 PolarHBondContact O-N 3.45Å; K239-I243 WeakPolarHBondContact O-CD1 3.41Å; K239-I243 VanDerWaalsContact O-CG1 3.29Å; K239-I243 WeakPolarHBondContact O-CG1 3.32Å; K239-I243 PolarHBondContact O-N 2.82Å; K239-H399 HydrophobicContact CB-CB 4.47Å
240R83.6Confident78.2Confident4 Ų455.1 Ų55.12%0.01528%0.282CS..Hα-helixtrans-50.6-52.2171.8-172-163.7-173.9-109.9-5.2111.2S236 I243 V244 L396 H399 T400 H404 E406S236-R240 WeakPolarHBondContact O-CB 3.43Å; S236-R240 PolarHBondContact O-N 3.5Å; R240-I243 PolarHBondContact O-N 2.97Å; R240-V244 WeakPolarHBondContact O-CG2 3.34Å; R240-V244 PolarHBondContact O-N 3.27Å; R240-V244 VanDerWaalsContact O-N 3.16Å; R240-L396 HydrophobicContact CG-CD1 3.62Å; R240-H399 HydrophobicContact CB-CB 4.01Å; R240-T400 PolarHBondContact NE-OG1 2.93Å; R240-H404 PolarHBondContact NH2-CE1 3.41Å; R240-H404 VanDerWaalsContact NH2-CE1 3.28Å; R240-E406 IonicContact CZ-OE2 2.73Å; R240-E406 IonicContact NH1-OE2 3.28Å; R240-E406 IonicContact NH2-OE2 3.28Å; R240-E406 PolarHBondContact NH2-OE2 3.39Å
241N80.3Confident78.4Confident35 Ų3551 Ų5119%0.18726%0.255CS..Hα-helixtrans-66.7-38.4-178.8-68.4-8.2000111.9M237 R238 K239 I243 V244 F245M237-N241 WeakPolarHBondContact O-CB 3.41Å; M237-N241 PolarHBondContact O-N 3.13Å; M237-N241 PolarHBondContact O-ND2 3.5Å; M237-N241 PolarHBondContact O-OD1 2.65Å; R238-N241 PolarHBondContact O-N 2.69Å; K239-N241 VanDerWaalsContact C-N 3.33Å; K239-N241 PolarHBondContact O-N 3.43Å; N241-I243 VanDerWaalsContact C-N 3.32Å; N241-I243 PolarHBondContact O-N 3.31Å; N241-V244 WeakPolarHBondContact O-CB 3.38Å; N241-V244 PolarHBondContact O-N 2.91Å; N241-V244 VanDerWaalsContact O-N 3.15Å; N241-F245 HydrophobicContact CB-CE2 4.3Å; N241-F245 WeakPolarHBondContact O-CD2 3.29Å; N241-F245 PolarHBondContact O-N 3.19Å
242Q83.5Confident78.3Confident102 Ų10251.9 Ų51.948%0.47726%0.259SS..Hα-helixtrans-60.5-41.1174-169.663.752.100111.8R238 K239 V244 F245 N246R238-Q242 PolarHBondContact O-N 3.45Å; K239-Q242 PolarHBondContact O-N 3.45Å; Q242-V244 VanDerWaalsContact C-N 3.28Å; Q242-V244 PolarHBondContact O-N 2.93Å; Q242-F245 PolarHBondContact O-N 3.43Å; Q242-N246 PolarHBondContact NE2-OD1 3.48Å; Q242-N246 WeakPolarHBondContact O-CB 3.35Å; Q242-N246 PolarHBondContact O-N 2.95Å; Q242-N246 PolarHBondContact O-OD1 3.41Å; Q242-N246 VanDerWaalsContact O-OD1 3.08Å
243I85.5Confident78.1Confident7 Ų751.3 Ų51.34%0.03625%0.247CC..Hα-helixtrans-62.3-37.2175.7-65155.8000110.9K239 R240 N241 M247 T392 E395 L396 H399K239-I243 WeakPolarHBondContact O-CD1 3.41Å; K239-I243 VanDerWaalsContact O-CG1 3.29Å; K239-I243 WeakPolarHBondContact O-CG1 3.32Å; K239-I243 PolarHBondContact O-N 2.82Å; R240-I243 PolarHBondContact O-N 2.97Å; N241-I243 VanDerWaalsContact C-N 3.32Å; N241-I243 PolarHBondContact O-N 3.31Å; I243-M247 VanDerWaalsContact O-CB 3.26Å; I243-M247 WeakPolarHBondContact O-CB 3.35Å; I243-M247 PolarHBondContact O-N 3.06Å; I243-T392 HydrophobicContact CG2-CG2 3.94Å; I243-E395 HydrophobicContact CD1-CB 4.14Å; I243-E395 HydrophobicContact CD1-CG 3.66Å; I243-E395 HydrophobicContact CG1-CG 4.18Å; I243-E395 HydrophobicContact CG2-CB 4.47Å; I243-L396 HydrophobicContact CB-CD1 4.4Å; I243-L396 HydrophobicContact CG2-CB 4.08Å; I243-L396 HydrophobicContact CG2-CD1 4.22Å; I243-H399 HydrophobicContact CD1-CB 4.46Å
244V81.8Confident77.5Confident2 Ų247.4 Ų47.41%0.01223%0.229CC..Hα-helixtrans-66.4-43.1173.5178.30000111.8R240 N241 Q242 M247 V248 L318 L320 L396R240-V244 WeakPolarHBondContact O-CG2 3.34Å; R240-V244 PolarHBondContact O-N 3.27Å; R240-V244 VanDerWaalsContact O-N 3.16Å; N241-V244 WeakPolarHBondContact O-CB 3.38Å; N241-V244 PolarHBondContact O-N 2.91Å; N241-V244 VanDerWaalsContact O-N 3.15Å; Q242-V244 VanDerWaalsContact C-N 3.28Å; Q242-V244 PolarHBondContact O-N 2.93Å; V244-M247 WeakPolarHBondContact O-CB 3.44Å; V244-M247 PolarHBondContact O-N 3.1Å; V244-V248 WeakPolarHBondContact O-CG2 3.32Å; V244-V248 PolarHBondContact O-N 3.26Å; V244-V248 VanDerWaalsContact O-N 3.11Å; V244-L318 HydrophobicContact CG1-CD1 4.31Å; V244-L320 HydrophobicContact CB-CD1 4.32Å; V244-L320 HydrophobicContact CG1-CD1 3.76Å; V244-L320 HydrophobicContact CG1-CD2 4.42Å; V244-L320 HydrophobicContact CG2-CD1 3.55Å; V244-L396 HydrophobicContact CG2-CD1 3.64Å
245F81.2Confident76.8Confident74 Ų7449.9 Ų49.933%0.32524%0.236SC..Hα-helixtrans-63.1-49.9175.1-68.4-61.3000111.4N241 Q242 M247 V248 E249 I312N241-F245 HydrophobicContact CB-CE2 4.3Å; N241-F245 WeakPolarHBondContact O-CD2 3.29Å; N241-F245 PolarHBondContact O-N 3.19Å; Q242-F245 PolarHBondContact O-N 3.43Å; F245-M247 PolarHBondContact O-N 3.3Å; F245-V248 PolarHBondContact O-N 3.15Å; F245-E249 WeakPolarHBondContact O-CG 3.3Å; F245-E249 PolarHBondContact O-N 2.73Å; F245-I312 HydrophobicContact CD1-CD1 3.89Å; F245-I312 HydrophobicContact CE1-CD1 4.15Å; F245-I312 HydrophobicContact CE1-CG2 4.13Å
246N83.7Confident75.6Confident73 Ų7355.5 Ų55.539%0.3925%0.254SS..Hα-helixtrans-55.4-36.7174.9-66.86.8000111.9Q242 A250Q242-N246 PolarHBondContact NE2-OD1 3.48Å; Q242-N246 WeakPolarHBondContact O-CB 3.35Å; Q242-N246 PolarHBondContact O-N 2.95Å; Q242-N246 PolarHBondContact O-OD1 3.41Å; Q242-N246 VanDerWaalsContact O-OD1 3.08Å; N246-A250 WeakPolarHBondContact O-CB 3.19Å; N246-A250 PolarHBondContact O-N 2.78Å
247M83.2Confident74.3Confident9 Ų957.7 Ų57.74%0.04427%0.266CS..Hα-helixtrans-66.5-42.6176.2-177.3-173.216500111.9I243 V244 F245 A250 E251 F304 L308 F324 T392I243-M247 VanDerWaalsContact O-CB 3.26Å; I243-M247 WeakPolarHBondContact O-CB 3.35Å; I243-M247 PolarHBondContact O-N 3.06Å; V244-M247 WeakPolarHBondContact O-CB 3.44Å; V244-M247 PolarHBondContact O-N 3.1Å; F245-M247 PolarHBondContact O-N 3.3Å; M247-A250 PolarHBondContact O-N 2.9Å; M247-E251 WeakPolarHBondContact O-CB 3.43Å; M247-E251 WeakPolarHBondContact O-CG 3.47Å; M247-E251 PolarHBondContact O-N 3.2Å; M247-F304 HydrophobicContact CE-CE1 3.7Å; M247-F304 HydrophobicContact CE-CZ 3.5Å; M247-L308 HydrophobicContact CE-CD1 3.98Å; M247-L308 HydrophobicContact CE-CD2 4Å; M247-F324 HydrophobicContact CE-CE1 4.19Å; M247-F324 HydrophobicContact CE-CE2 4.15Å; M247-F324 HydrophobicContact CE-CZ 3.46Å; M247-F324 VanDerWaalsContact CE-CZ 3.46Å; M247-F324 HydrophobicContact SD-CZ 4.12Å; M247-T392 HydrophobicContact CB-CG2 4Å; M247-T392 HydrophobicContact CG-CG2 4.07Å; M247-T392 HydrophobicContact SD-CG2 4.23Å
248V81.1Confident73.3Confident12 Ų1257.9 Ų57.97%0.07327%0.266CS..Hα-helixtrans-76.3-28.3179.2-177.10000112.1V244 F245 T252 L308 K309 I312V244-V248 WeakPolarHBondContact O-CG2 3.32Å; V244-V248 PolarHBondContact O-N 3.26Å; V244-V248 VanDerWaalsContact O-N 3.11Å; F245-V248 PolarHBondContact O-N 3.15Å; V248-T252 WeakPolarHBondContact O-CB 3.2Å; V248-T252 PolarHBondContact O-N 3.13Å; V248-T252 PolarHBondContact O-OG1 2.97Å; V248-L308 HydrophobicContact CG1-CB 4.47Å; V248-L308 HydrophobicContact CG2-CB 3.8Å; V248-L308 HydrophobicContact CG2-CD1 4.35Å; V248-L308 HydrophobicContact CG2-CD2 4.23Å; V248-L308 HydrophobicContact CG2-CG 4.36Å; V248-K309 HydrophobicContact CG1-CG 4.14Å; V248-I312 HydrophobicContact CB-CD1 3.7Å; V248-I312 HydrophobicContact CG1-CD1 4.02Å; V248-I312 HydrophobicContact CG2-CD1 3.46Å; V248-I312 VanDerWaalsContact CG2-CD1 3.46Å; V248-I312 HydrophobicContact CG2-CG1 4.35Å
249E78.7Confident72.4Confident127 Ų12751.9 Ų51.959%0.59324%0.243SC*.Hα-helixtrans-66.2-48.4167.3-71.5176.6174.700110.8F245 E251 T252 E253F245-E249 WeakPolarHBondContact O-CG 3.3Å; F245-E249 PolarHBondContact O-N 2.73Å; E249-E251 PolarHBondContact O-N 3.43Å; E249-T252 CarbonylContact O-C 3.58Å; E249-T252 WeakPolarHBondContact O-CA 3.22Å; E249-T252 WeakPolarHBondContact O-CB 3.4Å; E249-T252 PolarHBondContact O-N 3.45Å; E249-E253 PolarHBondContact O-N 3.42Å
250A74.2Confident71.4Confident15 Ų1548.1 Ų48.112%0.12423%0.228CC..Hα-helixtrans-60.1-39.2175.200000113.2N246 M247 E253 Y254N246-A250 WeakPolarHBondContact O-CB 3.19Å; N246-A250 PolarHBondContact O-N 2.78Å; M247-A250 PolarHBondContact O-N 2.9Å; A250-E253 PolarHBondContact O-N 3.28Å; A250-Y254 VanDerWaalsContact O-CB 3.27Å; A250-Y254 WeakPolarHBondContact O-CB 3.3Å; A250-Y254 PolarHBondContact O-N 2.94Å
251E73.1Confident70.4Confident2 Ų249 Ų491%0.00924%0.236CC..Hα-helixtrans-70.4-32.8172.7-76.8-62.8117.700112.1M247 E249 Y255 F304 L308 Q385 Y389M247-E251 WeakPolarHBondContact O-CB 3.43Å; M247-E251 WeakPolarHBondContact O-CG 3.47Å; M247-E251 PolarHBondContact O-N 3.2Å; E249-E251 PolarHBondContact O-N 3.43Å; E251-Y255 WeakPolarHBondContact O-CB 3.32Å; E251-Y255 PolarHBondContact O-N 3.29Å; E251-F304 HydrophobicContact CG-CE1 4.49Å; E251-L308 HydrophobicContact CB-CD1 4.32Å; E251-L308 HydrophobicContact CG-CD1 3.88Å; E251-Q385 PolarHBondContact OE1-NE2 2.77Å; E251-Y389 HydrophobicContact CG-CE1 4.49Å; E251-Y389 WeakPolarHBondContact OE1-CE1 3.18Å; E251-Y389 VanDerWaalsContact OE1-CZ 3.31Å; E251-Y389 PolarHBondContact OE1-OH 3.4Å; E251-Y389 PolarHBondContact OE2-OH 3.39Å
252T70.3Confident69.9Low40 Ų4049 Ų4925%0.24523%0.234CC..Hα-helixtrans-67.4-39.6172.5-570000111.6V248 E249 R256 H305V248-T252 WeakPolarHBondContact O-CB 3.2Å; V248-T252 PolarHBondContact O-N 3.13Å; V248-T252 PolarHBondContact O-OG1 2.97Å; E249-T252 CarbonylContact O-C 3.58Å; E249-T252 WeakPolarHBondContact O-CA 3.22Å; E249-T252 WeakPolarHBondContact O-CB 3.4Å; E249-T252 PolarHBondContact O-N 3.45Å; T252-R256 WeakPolarHBondContact O-CB 3.5Å; T252-R256 PolarHBondContact O-N 3.42Å; T252-H305 WeakPolarHBondContact CA-NE2 3.43Å; T252-H305 PolarHBondContact N-NE2 3.42Å; T252-H305 PolarHBondContact OG1-NE2 2.77Å
253E66Low69.3Low95 Ų9544.5 Ų44.544%0.44421%0.214SC..Hα-helixtrans-66.1-47.8173.2-176.2-179.6-125.600111.2E249 A250 V257 H258 R388E249-E253 PolarHBondContact O-N 3.42Å; A250-E253 PolarHBondContact O-N 3.28Å; E253-V257 HydrophobicContact CG-CB 4.47Å; E253-V257 CarbonylContact O-C 3.58Å; E253-V257 WeakPolarHBondContact O-CA 3.17Å; E253-V257 VanDerWaalsContact O-CB 3.3Å; E253-V257 WeakPolarHBondContact O-CB 3.26Å; E253-V257 PolarHBondContact O-N 3.49Å; E253-H258 PolarHBondContact O-N 2.95Å; E253-R388 IonicContact OE2-NH2 2.74Å
254Y60.8Low68.7Low8 Ų844.1 Ų44.13%0.03121%0.212CC..Hα-helixtrans-59.6-52.7177.3-172.1-116.1000112A250 R256 H258 L260 Q385A250-Y254 VanDerWaalsContact O-CB 3.27Å; A250-Y254 WeakPolarHBondContact O-CB 3.3Å; A250-Y254 PolarHBondContact O-N 2.94Å; Y254-R256 PolarHBondContact O-N 3.15Å; Y254-H258 HydrophobicContact CD2-CB 4.44Å; Y254-H258 WeakPolarHBondContact CD2-O 3.44Å; Y254-H258 CarbonylContact O-C 3.53Å; Y254-H258 WeakPolarHBondContact O-CA 3.36Å; Y254-H258 PolarHBondContact O-N 3.3Å; Y254-L260 HydrophobicContact CE1-CD1 3.79Å; Y254-Q385 HydrophobicContact CD1-CG 4.12Å; Y254-Q385 HydrophobicContact CD2-CG 4.44Å; Y254-Q385 HydrophobicContact CE1-CB 4.26Å; Y254-Q385 HydrophobicContact CE1-CG 3.68Å; Y254-Q385 HydrophobicContact CE2-CB 4.06Å; Y254-Q385 HydrophobicContact CE2-CG 4.03Å; Y254-Q385 HydrophobicContact CG-CG 4.48Å
255Y56.4Low68.5Low64 Ų6447.6 Ų47.625%0.25123%0.231SC..Hα-helixtrans-65-40.8179.8176.5-106.9000113.4E251 E302 H305E251-Y255 WeakPolarHBondContact O-CB 3.32Å; E251-Y255 PolarHBondContact O-N 3.29Å; Y255-E302 HydrophobicContact CD2-CB 4.37Å; Y255-E302 HydrophobicContact CE2-CB 3.69Å; Y255-E302 HydrophobicContact CE2-CG 3.74Å; Y255-E302 VanDerWaalsContact OH-CD 3.31Å; Y255-E302 PolarHBondContact OH-OE1 2.99Å; Y255-H305 AromaticContact CD1-CE1 3.81Å; Y255-H305 AromaticContact CD1-ND1 3.5Å; Y255-H305 WeakPolarHBondContact CD1-ND1 3.45Å; Y255-H305 AromaticContact CG-ND1 3.87Å
256R52.4Low68.5Low207 Ų20745.7 Ų45.778%0.78123%0.226SC*.Hα-helixtrans-100.3-23.4-167.3-157-176.6-171.2-159.52.1114.9T252 Y254T252-R256 WeakPolarHBondContact O-CB 3.5Å; T252-R256 PolarHBondContact O-N 3.42Å; Y254-R256 PolarHBondContact O-N 3.15Å
257V49.6Very low68.6Low75 Ų7542.2 Ų42.246%0.45521%0.208SC..THydrogen-bonded Turntrans-122-41.2-177.4-170.70000110.5E253E253-V257 HydrophobicContact CG-CB 4.47Å; E253-V257 CarbonylContact O-C 3.58Å; E253-V257 WeakPolarHBondContact O-CA 3.17Å; E253-V257 VanDerWaalsContact O-CB 3.3Å; E253-V257 WeakPolarHBondContact O-CB 3.26Å; E253-V257 PolarHBondContact O-N 3.49Å
258H54.6Low68.7Low47 Ų4742 Ų4222%0.21821%0.206CC..SBendtrans-108.680.8-166.5-89.5-81000114.9E253 Y254E253-H258 PolarHBondContact O-N 2.95Å; Y254-H258 HydrophobicContact CD2-CB 4.44Å; Y254-H258 WeakPolarHBondContact CD2-O 3.44Å; Y254-H258 CarbonylContact O-C 3.53Å; Y254-H258 WeakPolarHBondContact O-CA 3.36Å; Y254-H258 PolarHBondContact O-N 3.3Å
259I59.7Low69Low3 Ų346.3 Ų46.32%0.01522%0.221CC..SBendtrans99.3-70.3149.9-63.398.7000118.4A261 F262 A263 F378 Y381I259-A261 PolarHBondContact O-N 3.24Å; I259-F262 CarbonylContact O-C 3.43Å; I259-F262 WeakPolarHBondContact O-CA 3.47Å; I259-F262 WeakPolarHBondContact O-CB 3.37Å; I259-F262 PolarHBondContact O-N 3.35Å; I259-A263 HydrophobicContact CG2-CB 4.41Å; I259-A263 WeakPolarHBondContact O-CB 3.5Å; I259-A263 PolarHBondContact O-N 3.22Å; I259-F378 HydrophobicContact CB-CD1 4.11Å; I259-F378 HydrophobicContact CG1-CD1 3.5Å; I259-F378 VanDerWaalsContact CG1-CD1 3.5Å; I259-F378 HydrophobicContact CG1-CE1 3.98Å; I259-F378 HydrophobicContact CG1-CG 4.48Å; I259-F378 HydrophobicContact CG2-CB 4.33Å; I259-F378 HydrophobicContact CG2-CD1 4.08Å; I259-F378 WeakPolarHBondContact CG2-O 3.48Å; I259-Y381 HydrophobicContact CB-CD2 4.4Å; I259-Y381 HydrophobicContact CD1-CD1 3.47Å; I259-Y381 VanDerWaalsContact CD1-CD1 3.47Å; I259-Y381 HydrophobicContact CD1-CD2 3.26Å; I259-Y381 HydrophobicContact CD1-CE1 3.76Å; I259-Y381 HydrophobicContact CD1-CE2 3.53Å; I259-Y381 HydrophobicContact CD1-CG 3.17Å; I259-Y381 HydrophobicContact CG1-CD1 4.42Å; I259-Y381 HydrophobicContact CG1-CD2 3.32Å; I259-Y381 HydrophobicContact CG1-CE2 3.76Å; I259-Y381 HydrophobicContact CG1-CG 3.66Å
260L59.1Low69.5Low10 Ų1041.8 Ų41.85%0.05220%0.203CC..Hα-helixtrans-61.5-48.9-158.8-82.4161.8000113.8Y254 F262 V264 I297 M298 P382Y254-L260 HydrophobicContact CE1-CD1 3.79Å; L260-F262 PolarHBondContact O-N 3.45Å; L260-V264 WeakPolarHBondContact O-CB 3.41Å; L260-V264 VanDerWaalsContact O-CG2 3.31Å; L260-V264 WeakPolarHBondContact O-CG2 3.35Å; L260-V264 PolarHBondContact O-N 3.29Å; L260-V264 VanDerWaalsContact O-N 3.08Å; L260-I297 HydrophobicContact CD1-CG2 3.76Å; L260-I297 HydrophobicContact CD2-CB 4.23Å; L260-I297 HydrophobicContact CD2-CG2 3.89Å; L260-M298 HydrophobicContact CB-CB 4Å; L260-M298 HydrophobicContact CB-CG 4.14Å; L260-M298 HydrophobicContact CD2-CB 4.49Å; L260-P382 HydrophobicContact CD2-CG 4.12Å
261A64Low70.1Confident23 Ų2341 Ų4119%0.1920%0.197CC..Hα-helixtrans-63.6-29.9175.200000112.7I259 N265 M298I259-A261 PolarHBondContact O-N 3.24Å; A261-N265 VanDerWaalsContact O-CB 3.28Å; A261-N265 WeakPolarHBondContact O-CB 3.48Å; A261-N265 PolarHBondContact O-N 3.37Å; A261-N265 PolarHBondContact O-ND2 3.18Å; A261-M298 HydrophobicContact CB-CG 4.44Å; A261-M298 HydrophobicContact CB-SD 4.35Å
262F69.6Low70.9Confident35 Ų3545.5 Ų45.515%0.15421%0.214CC..Hα-helixtrans-79-44.4-179.5-166.1-97.1000112.3I259 L260 V264 N265 C266 F267 A369 C370 F378I259-F262 CarbonylContact O-C 3.43Å; I259-F262 WeakPolarHBondContact O-CA 3.47Å; I259-F262 WeakPolarHBondContact O-CB 3.37Å; I259-F262 PolarHBondContact O-N 3.35Å; L260-F262 PolarHBondContact O-N 3.45Å; F262-V264 VanDerWaalsContact C-N 3.27Å; F262-V264 PolarHBondContact O-N 3.11Å; F262-N265 PolarHBondContact O-N 3.41Å; F262-C266 HydrophobicContact CD1-CB 4.28Å; F262-C266 HydrophobicContact CD2-CB 4.37Å; F262-C266 HydrophobicContact CE1-CB 4.04Å; F262-C266 HydrophobicContact CE2-CB 4.12Å; F262-C266 WeakPolarHBondContact CE2-SG 3.48Å; F262-C266 HydrophobicContact CG-CB 4.45Å; F262-C266 HydrophobicContact CZ-CB 3.95Å; F262-C266 VanDerWaalsContact O-CB 3.27Å; F262-C266 WeakPolarHBondContact O-CB 3.48Å; F262-C266 PolarHBondContact O-N 3.3Å; F262-F267 HydrophobicContact CD1-CE2 4.08Å; F262-F267 AromaticContact CE1-CE2 3.79Å; F262-F267 HydrophobicContact CE1-CE2 3.79Å; F262-A369 HydrophobicContact CE2-CB 3.5Å; F262-A369 HydrophobicContact CZ-CB 3.84Å; F262-C370 HydrophobicContact CE1-CB 4.39Å; F262-C370 VanDerWaalsContact CE1-SG 3.5Å; F262-F378 HydrophobicContact CD1-CD1 4.26Å; F262-F378 AromaticContact CD1-CE1 3.63Å; F262-F378 HydrophobicContact CD1-CE1 3.63Å; F262-F378 HydrophobicContact CD1-CE2 4.49Å; F262-F378 AromaticContact CD1-CZ 3.77Å; F262-F378 HydrophobicContact CD1-CZ 3.77Å; F262-F378 HydrophobicContact CE1-CE1 4.22Å; F262-F378 HydrophobicContact CE1-CE2 4.41Å; F262-F378 AromaticContact CE1-CZ 3.88Å; F262-F378 HydrophobicContact CE1-CZ 3.88Å; F262-F378 HydrophobicContact CG-CE1 4.48Å
263A69.5Low71.8Confident6 Ų650.4 Ų50.45%0.0524%0.236CC..Iπ-helixtrans-58.3-40.6172.700000111.3I259 F267 L268I259-A263 HydrophobicContact CG2-CB 4.41Å; I259-A263 WeakPolarHBondContact O-CB 3.5Å; I259-A263 PolarHBondContact O-N 3.22Å; A263-F267 PolarHBondContact O-N 3.02Å; A263-L268 PolarHBondContact O-N 2.99Å
264V73.8Confident72.7Confident0 Ų046.6 Ų46.60%022%0.22CC..Iπ-helixtrans-70.1-50176.9172.70000112L260 F262 L268 R269 E295 M298L260-V264 WeakPolarHBondContact O-CB 3.41Å; L260-V264 VanDerWaalsContact O-CG2 3.31Å; L260-V264 WeakPolarHBondContact O-CG2 3.35Å; L260-V264 PolarHBondContact O-N 3.29Å; L260-V264 VanDerWaalsContact O-N 3.08Å; F262-V264 VanDerWaalsContact C-N 3.27Å; F262-V264 PolarHBondContact O-N 3.11Å; V264-L268 HydrophobicContact CG2-CD2 4.35Å; V264-R269 HydrophobicContact CG1-CG 4.43Å; V264-R269 WeakPolarHBondContact O-CB 3.5Å; V264-R269 WeakPolarHBondContact O-CG 3.49Å; V264-R269 PolarHBondContact O-N 3.46Å; V264-E295 HydrophobicContact CG1-CG 4.05Å; V264-E295 HydrophobicContact CG2-CB 4.24Å; V264-M298 HydrophobicContact CB-SD 3.68Å; V264-M298 HydrophobicContact CG1-CE 4.43Å; V264-M298 HydrophobicContact CG1-SD 3.8Å; V264-M298 HydrophobicContact CG2-CB 4.13Å; V264-M298 HydrophobicContact CG2-CG 4.41Å; V264-M298 HydrophobicContact CG2-SD 3.77Å
265N78.8Confident74Confident75 Ų7546.7 Ų46.740%0.40122%0.223SC..Iπ-helixtrans-82.9-31.9-172.3-70.2-61.6000114.9A261 F262 R269 P270A261-N265 VanDerWaalsContact O-CB 3.28Å; A261-N265 WeakPolarHBondContact O-CB 3.48Å; A261-N265 PolarHBondContact O-N 3.37Å; A261-N265 PolarHBondContact O-ND2 3.18Å; F262-N265 PolarHBondContact O-N 3.41Å; N265-R269 PolarHBondContact OD1-NH1 3.36Å; N265-P270 VanDerWaalsContact O-CD 3.25Å; N265-P270 WeakPolarHBondContact O-CD 3.39Å
266C80.3Confident75.6Confident34 Ų3447.7 Ų47.723%0.2324%0.239CC..Iπ-helixtrans-100.8-18.8-174.9-61.60000113.9F262F262-C266 HydrophobicContact CD1-CB 4.28Å; F262-C266 HydrophobicContact CD2-CB 4.37Å; F262-C266 HydrophobicContact CE1-CB 4.04Å; F262-C266 HydrophobicContact CE2-CB 4.12Å; F262-C266 WeakPolarHBondContact CE2-SG 3.48Å; F262-C266 HydrophobicContact CG-CB 4.45Å; F262-C266 HydrophobicContact CZ-CB 3.95Å; F262-C266 VanDerWaalsContact O-CB 3.27Å; F262-C266 WeakPolarHBondContact O-CB 3.48Å; F262-C266 PolarHBondContact O-N 3.3Å
267F85.3Confident77.3Confident0 Ų040.3 Ų40.30%022%0.219CC..Iπ-helixtrans-119.9-61.4177-61.1-87.2000112.6F262 A263 R269 P270 L271 F291 L361 Y364 E365 L375 F378F262-F267 HydrophobicContact CD1-CE2 4.08Å; F262-F267 AromaticContact CE1-CE2 3.79Å; F262-F267 HydrophobicContact CE1-CE2 3.79Å; A263-F267 PolarHBondContact O-N 3.02Å; F267-R269 PolarHBondContact O-N 3.15Å; F267-P270 WeakPolarHBondContact O-CD 3.3Å; F267-L271 HydrophobicContact CB-CD1 4.49Å; F267-L271 WeakPolarHBondContact O-CB 3.4Å; F267-L271 WeakPolarHBondContact O-CG 3.45Å; F267-L271 PolarHBondContact O-N 3.32Å; F267-F291 HydrophobicContact CB-CE1 4.12Å; F267-F291 HydrophobicContact CB-CZ 3.79Å; F267-L361 HydrophobicContact CD1-CD1 3.88Å; F267-L361 HydrophobicContact CE1-CD1 3.88Å; F267-Y364 HydrophobicContact CD1-CD2 4.47Å; F267-E365 HydrophobicContact CE1-CG 3.91Å; F267-E365 HydrophobicContact CZ-CG 4.21Å; F267-L375 HydrophobicContact CB-CD1 4.03Å; F267-L375 HydrophobicContact CD1-CB 4.41Å; F267-L375 HydrophobicContact CD1-CD1 4.08Å; F267-L375 HydrophobicContact CD1-CD2 4.31Å; F267-L375 HydrophobicContact CD2-CD1 4.19Å; F267-L375 HydrophobicContact CE1-CB 4.28Å; F267-L375 HydrophobicContact CG-CD1 3.86Å; F267-F378 HydrophobicContact CE2-CD2 4.04Å; F267-F378 HydrophobicContact CE2-CE2 4.15Å; F267-F378 HydrophobicContact CZ-CD2 4.42Å; F267-F378 HydrophobicContact CZ-CE2 4.43Å
268L86.5Confident78.6Confident3 Ų347.2 Ų47.22%0.01624%0.243CC..Iπ-helixtrans-59-52.3-175.2173.254.4000112.7A263 V264 L271 R272 V287 F291 E295A263-L268 PolarHBondContact O-N 2.99Å; V264-L268 HydrophobicContact CG2-CD2 4.35Å; L268-L271 PolarHBondContact O-N 3.48Å; L268-R272 WeakPolarHBondContact O-CB 3.44Å; L268-R272 PolarHBondContact O-N 3.13Å; L268-V287 HydrophobicContact CD1-CG1 3.61Å; L268-F291 HydrophobicContact CB-CD1 3.94Å; L268-F291 HydrophobicContact CB-CD2 4.36Å; L268-F291 HydrophobicContact CB-CE1 4.16Å; L268-F291 HydrophobicContact CB-CG 4.05Å; L268-F291 HydrophobicContact CB-CZ 4.48Å; L268-F291 HydrophobicContact CD1-CB 3.7Å; L268-F291 HydrophobicContact CD1-CD2 3.87Å; L268-F291 HydrophobicContact CD1-CG 3.82Å; L268-F291 HydrophobicContact CD2-CB 4.04Å; L268-F291 HydrophobicContact CD2-CG 4.45Å; L268-F291 HydrophobicContact CG-CB 4.29Å; L268-F291 HydrophobicContact CG-CG 4.31Å; L268-E295 HydrophobicContact CD2-CB 4.01Å
269R87.4Confident80Confident103 Ų10354.1 Ų54.139%0.38927%0.272SS..Hα-helixtrans-63.5-48.7-178.6-72.6172-178.8-175.8-5.8112V264 N265 F267 L271 R272 M273 E295V264-R269 HydrophobicContact CG1-CG 4.43Å; V264-R269 WeakPolarHBondContact O-CB 3.5Å; V264-R269 WeakPolarHBondContact O-CG 3.49Å; V264-R269 PolarHBondContact O-N 3.46Å; N265-R269 PolarHBondContact OD1-NH1 3.36Å; F267-R269 PolarHBondContact O-N 3.15Å; R269-L271 PolarHBondContact O-N 3.35Å; R269-R272 PolarHBondContact O-N 3.29Å; R269-M273 WeakPolarHBondContact O-CG 3.18Å; R269-M273 PolarHBondContact O-N 3.14Å; R269-E295 IonicContact CZ-OE1 3.32Å; R269-E295 IonicContact NE-OE1 3.34Å; R269-E295 PolarHBondContact NE-OE1 3.3Å; R269-E295 VanDerWaalsContact NE-OE1 3.12Å; R269-E295 IonicContact NH2-OE1 3.47Å; R269-E295 PolarHBondContact NH2-OE1 2.97Å
270P87.6Confident81.2Confident32 Ų3257.3 Ų57.321%0.20829%0.293CS..Hα-helixtrans-60.9-40.2173.8-28.638.2000114.5N265 F267 M273 A274 Y364N265-P270 VanDerWaalsContact O-CD 3.25Å; N265-P270 WeakPolarHBondContact O-CD 3.39Å; F267-P270 WeakPolarHBondContact O-CD 3.3Å; P270-M273 PolarHBondContact O-N 3.36Å; P270-A274 WeakPolarHBondContact O-CB 3.35Å; P270-A274 PolarHBondContact O-N 2.83Å; P270-Y364 HydrophobicContact CB-CE1 4.34Å; P270-Y364 HydrophobicContact CB-CE2 3.73Å; P270-Y364 WeakPolarHBondContact CB-OH 3.32Å
271L88.2Confident82.4Confident0 Ų058.1 Ų58.10%030%0.299CS..Hα-helixtrans-70.5-37.8177.5-69.3173.7000112.4F267 L268 R269 M273 A274 A275 I282 V287 F291 F357 L360 Y364F267-L271 HydrophobicContact CB-CD1 4.49Å; F267-L271 WeakPolarHBondContact O-CB 3.4Å; F267-L271 WeakPolarHBondContact O-CG 3.45Å; F267-L271 PolarHBondContact O-N 3.32Å; L268-L271 PolarHBondContact O-N 3.48Å; R269-L271 PolarHBondContact O-N 3.35Å; L271-M273 VanDerWaalsContact C-N 3.27Å; L271-M273 PolarHBondContact O-N 3.3Å; L271-A274 PolarHBondContact O-N 2.78Å; L271-A275 WeakPolarHBondContact O-CB 3.34Å; L271-A275 PolarHBondContact O-N 2.87Å; L271-I282 HydrophobicContact CD2-CG2 4.47Å; L271-V287 HydrophobicContact CB-CG2 4.06Å; L271-F291 HydrophobicContact CD1-CE2 3.88Å; L271-F291 HydrophobicContact CD1-CZ 4.12Å; L271-F357 HydrophobicContact CD1-CE2 4.5Å; L271-F357 HydrophobicContact CD2-CD2 4.45Å; L271-F357 HydrophobicContact CD2-CE2 3.81Å; L271-L360 HydrophobicContact CD2-CD2 4.22Å; L271-Y364 HydrophobicContact CD2-CD2 4.39Å; L271-Y364 HydrophobicContact CD2-CE2 3.88Å; L271-Y364 HydrophobicContact CG-CE2 4.14Å
272R89.8Confident83.6Confident96 Ų9657.4 Ų57.436%0.36229%0.292SS..Hα-helixtrans-61.7-35.8171.9-169.2-174.6-73.1158.3-3.9111L268 R269 S276 H284 V287 E295L268-R272 WeakPolarHBondContact O-CB 3.44Å; L268-R272 PolarHBondContact O-N 3.13Å; R269-R272 PolarHBondContact O-N 3.29Å; R272-S276 PolarHBondContact O-OG 2.85Å; R272-H284 PolarHBondContact O-CE1 3.11Å; R272-H284 VanDerWaalsContact O-CE1 3.24Å; R272-V287 HydrophobicContact CB-CG1 4.24Å; R272-E295 IonicContact CZ-OE2 2.71Å; R272-E295 VanDerWaalsContact CZ-OE2 3.25Å; R272-E295 IonicContact NH1-OE1 3.58Å; R272-E295 IonicContact NH1-OE2 2.73Å; R272-E295 PolarHBondContact NH1-OE2 3.04Å; R272-E295 IonicContact NH2-OE2 3.17Å; R272-E295 PolarHBondContact NH2-OE2 3.14Å
273M87.7Confident84.6Confident143 Ų14357.9 Ų57.970%0.70430%0.3SS*.Hα-helixtrans-72-39.1171.7-69.617568.300112.9R269 P270 L271 A275 S276R269-M273 WeakPolarHBondContact O-CG 3.18Å; R269-M273 PolarHBondContact O-N 3.14Å; P270-M273 PolarHBondContact O-N 3.36Å; L271-M273 VanDerWaalsContact C-N 3.27Å; L271-M273 PolarHBondContact O-N 3.3Å; M273-A275 VanDerWaalsContact C-N 3.32Å; M273-A275 PolarHBondContact O-N 3.33Å; M273-S276 PolarHBondContact O-N 2.8Å; M273-S276 VanDerWaalsContact O-N 3.12Å
274A85.6Confident85.5Confident15 Ų1561.4 Ų61.412%0.12432%0.315CS..Hα-helixtrans-63.4-37.4176.800000112.1P270 L271 S276 S277 P281 L360P270-A274 WeakPolarHBondContact O-CB 3.35Å; P270-A274 PolarHBondContact O-N 2.83Å; L271-A274 PolarHBondContact O-N 2.78Å; A274-S276 PolarHBondContact O-N 2.76Å; A274-S277 VanDerWaalsContact O-CB 3.26Å; A274-S277 WeakPolarHBondContact O-CB 3.45Å; A274-S277 PolarHBondContact O-N 3.44Å; A274-S277 VanDerWaalsContact O-N 3.11Å; A274-S277 PolarHBondContact O-OG 3Å; A274-P281 HydrophobicContact CB-CG 4.14Å; A274-L360 HydrophobicContact CB-CD2 3.92Å
275A88.7Confident86.2Confident9 Ų967.3 Ų67.37%0.07435%0.347CS..Hα-helixtrans-63.1-25.7173.200000113.7L271 M273 P280 I282 V287L271-A275 WeakPolarHBondContact O-CB 3.34Å; L271-A275 PolarHBondContact O-N 2.87Å; M273-A275 VanDerWaalsContact C-N 3.32Å; M273-A275 PolarHBondContact O-N 3.33Å; A275-P280 WeakPolarHBondContact O-CB 3.4Å; A275-I282 WeakPolarHBondContact CA-O 3.29Å; A275-I282 WeakPolarHBondContact CB-O 3.46Å; A275-V287 HydrophobicContact CB-CG2 4.43Å
276S88.8Confident86.7Confident85 Ų8566.2 Ų66.259%0.59434%0.341SS*.THydrogen-bonded Turntrans-87.73.8173.9-53.90000114.3R272 M273 A274 H284R272-S276 PolarHBondContact O-OG 2.85Å; M273-S276 PolarHBondContact O-N 2.8Å; M273-S276 VanDerWaalsContact O-N 3.12Å; A274-S276 PolarHBondContact O-N 2.76Å; S276-H284 PolarHBondContact N-NE2 2.82Å; S276-H284 PolarHBondContact OG-CE1 3.37Å; S276-H284 PolarHBondContact OG-NE2 3.22Å
277S88.4Confident87.2Confident53 Ų5364.7 Ų64.737%0.37133%0.33SS..SBendtrans-78.6162.4-178.774.90000112.9A274 K279 P280A274-S277 VanDerWaalsContact O-CB 3.26Å; A274-S277 WeakPolarHBondContact O-CB 3.45Å; A274-S277 PolarHBondContact O-N 3.44Å; A274-S277 VanDerWaalsContact O-N 3.11Å; A274-S277 PolarHBondContact O-OG 3Å; S277-K279 PolarHBondContact O-N 2.86Å; S277-K279 VanDerWaalsContact O-N 3.08Å; S277-K279 PolarHBondContact OG-O 2.92Å; S277-P280 WeakPolarHBondContact O-CD 3.39Å; S277-P280 WeakPolarHBondContact OG-CA 3.25Å
278K77.5Confident87.3Confident219 Ų21968 Ų6895%0.95235%0.354SS*.SBendtrans-64.4-12.5-178.8-68.5-174.9177.6-179.90114.9
279K82.9Confident87.4Confident192 Ų19269.2 Ų69.284%0.83536%0.363SS*.SBendtrans-145.280172.6-74-168.6176-174.20107.5S277S277-K279 PolarHBondContact O-N 2.86Å; S277-K279 VanDerWaalsContact O-N 3.08Å; S277-K279 PolarHBondContact OG-O 2.92Å
280P85.1Confident87.5Confident70 Ų7064.4 Ų64.446%0.45534%0.344SS..  trans-71130.3-169.428.8-33.6000110.9A275 S277 I282A275-P280 WeakPolarHBondContact O-CB 3.4Å; S277-P280 WeakPolarHBondContact O-CD 3.39Å; S277-P280 WeakPolarHBondContact OG-CA 3.25Å; P280-I282 VanDerWaalsContact C-N 3.28Å
281P84.4Confident87.6Confident27 Ų2763.3 Ų63.318%0.17534%0.336CS..SBendtrans-78.5-13.7177.731-33000112.9A274 N354 F357 L360A274-P281 HydrophobicContact CB-CG 4.14Å; P281-N354 PolarHBondContact O-ND2 2.8Å; P281-F357 HydrophobicContact CB-CB 4.26Å; P281-L360 HydrophobicContact CG-CD2 3.89Å
282I90.1Very high87.6Confident8 Ų866.2 Ų66.24%0.04135%0.352CS..SBendtrans-148.3147.4179.7-176.5166.6000108.5L271 A275 P280 D286 V287 I290 C351 F357L271-I282 HydrophobicContact CD2-CG2 4.47Å; A275-I282 WeakPolarHBondContact CA-O 3.29Å; A275-I282 WeakPolarHBondContact CB-O 3.46Å; P280-I282 VanDerWaalsContact C-N 3.28Å; I282-D286 HydrophobicContact CD1-CB 3.77Å; I282-D286 HydrophobicContact CG1-CB 3.47Å; I282-D286 VanDerWaalsContact CG1-CB 3.47Å; I282-V287 HydrophobicContact CD1-CG2 3.79Å; I282-V287 HydrophobicContact CG1-CG2 3.97Å; I282-V287 HydrophobicContact CG2-CG2 3.9Å; I282-I290 HydrophobicContact CD1-CD1 3.83Å; I282-C351 HydrophobicContact CD1-CB 4.31Å; I282-F357 HydrophobicContact CB-CD2 3.76Å; I282-F357 HydrophobicContact CB-CE2 3.94Å; I282-F357 HydrophobicContact CD1-CD2 4.15Å; I282-F357 HydrophobicContact CD1-CE2 3.47Å; I282-F357 VanDerWaalsContact CD1-CE2 3.47Å; I282-F357 HydrophobicContact CD1-CZ 3.98Å; I282-F357 HydrophobicContact CG1-CD2 4.47Å; I282-F357 HydrophobicContact CG1-CE2 4.24Å; I282-F357 HydrophobicContact CG2-CD2 4.08Å; I282-F357 HydrophobicContact CG2-CE2 4.1Å
283S90.3Very high87.3Confident45 Ų4563.3 Ų63.332%0.31534%0.343SS..  trans-82.2165.4178.178.70000112.9D285 D286 V287S283-D285 VanDerWaalsContact C-N 3.26Å; S283-D285 PolarHBondContact O-N 3.11Å; S283-D285 PolarHBondContact OG-N 2.83Å; S283-D286 WeakPolarHBondContact CB-OD2 3.37Å; S283-D286 PolarHBondContact N-OD2 3.04Å; S283-D286 PolarHBondContact OG-N 3.09Å; S283-D286 PolarHBondContact OG-OD2 3.47Å; S283-V287 WeakPolarHBondContact O-CG2 3.37Å; S283-V287 PolarHBondContact O-N 3.44Å; S283-V287 VanDerWaalsContact O-N 3.16Å
284H88.3Confident87.2Confident80 Ų8056.7 Ų56.737%0.3731%0.311SS..Hα-helixtrans-65.7-30172.8-83.9-71.8000112.6R272 S276 S288R272-H284 PolarHBondContact O-CE1 3.11Å; R272-H284 VanDerWaalsContact O-CE1 3.24Å; S276-H284 PolarHBondContact N-NE2 2.82Å; S276-H284 PolarHBondContact OG-CE1 3.37Å; S276-H284 PolarHBondContact OG-NE2 3.22Å; H284-S288 WeakPolarHBondContact O-CB 3.46Å; H284-S288 PolarHBondContact O-N 2.96Å; H284-S288 PolarHBondContact O-OG 2.85Å
285D87.8Confident87.1Confident125 Ų12558.3 Ų58.367%0.66832%0.316SS*.Hα-helixtrans-75.6-38.6179.4-57.3-36.7000111.1S283 S288 S289S283-D285 VanDerWaalsContact C-N 3.26Å; S283-D285 PolarHBondContact O-N 3.11Å; S283-D285 PolarHBondContact OG-N 2.83Å; D285-S288 PolarHBondContact O-N 3.32Å; D285-S289 WeakPolarHBondContact O-CB 3.22Å; D285-S289 PolarHBondContact O-N 3.34Å; D285-S289 PolarHBondContact O-OG 3.26Å
286D89.9Confident86.9Confident52 Ų5260.8 Ų60.828%0.27833%0.331SS..Hα-helixtrans-61.2-48.6172.1-60.9-55.6000110.9I282 S283 S288 S289 I290 V347I282-D286 HydrophobicContact CD1-CB 3.77Å; I282-D286 HydrophobicContact CG1-CB 3.47Å; I282-D286 VanDerWaalsContact CG1-CB 3.47Å; S283-D286 WeakPolarHBondContact CB-OD2 3.37Å; S283-D286 PolarHBondContact N-OD2 3.04Å; S283-D286 PolarHBondContact OG-N 3.09Å; S283-D286 PolarHBondContact OG-OD2 3.47Å; D286-S288 VanDerWaalsContact C-N 3.29Å; D286-S288 PolarHBondContact O-N 3.49Å; D286-S289 PolarHBondContact O-N 3.47Å; D286-S289 VanDerWaalsContact O-N 3.12Å; D286-I290 VanDerWaalsContact O-CG1 3.26Å; D286-I290 WeakPolarHBondContact O-CG1 3.09Å; D286-I290 PolarHBondContact O-N 3.4Å; D286-V347 HydrophobicContact CB-CG1 3.96Å
287V90.5Very high86.5Confident1 Ų156.8 Ų56.81%0.00630%0.302CS..Hα-helixtrans-60.2-40.7177.7173.20000111L268 L271 R272 A275 I282 S283 S289 I290 F291L268-V287 HydrophobicContact CD1-CG1 3.61Å; L271-V287 HydrophobicContact CB-CG2 4.06Å; R272-V287 HydrophobicContact CB-CG1 4.24Å; A275-V287 HydrophobicContact CB-CG2 4.43Å; I282-V287 HydrophobicContact CD1-CG2 3.79Å; I282-V287 HydrophobicContact CG1-CG2 3.97Å; I282-V287 HydrophobicContact CG2-CG2 3.9Å; S283-V287 WeakPolarHBondContact O-CG2 3.37Å; S283-V287 PolarHBondContact O-N 3.44Å; S283-V287 VanDerWaalsContact O-N 3.16Å; V287-S289 VanDerWaalsContact C-N 3.32Å; V287-S289 PolarHBondContact O-N 3.18Å; V287-I290 PolarHBondContact O-N 3.12Å; V287-F291 HydrophobicContact CG1-CD2 4.31Å; V287-F291 WeakPolarHBondContact O-CD2 3.37Å; V287-F291 PolarHBondContact O-N 2.77Å; V287-F291 VanDerWaalsContact O-N 3.17Å
288S88.6Confident86.2Confident70 Ų7055.2 Ų55.249%0.4929%0.289SS..Hα-helixtrans-68.1-32.6177.1-560000112.4H284 D285 D286 L292H284-S288 WeakPolarHBondContact O-CB 3.46Å; H284-S288 PolarHBondContact O-N 2.96Å; H284-S288 PolarHBondContact O-OG 2.85Å; D285-S288 PolarHBondContact O-N 3.32Å; D286-S288 VanDerWaalsContact C-N 3.29Å; D286-S288 PolarHBondContact O-N 3.49Å; S288-L292 WeakPolarHBondContact O-CA 3.16Å; S288-L292 PolarHBondContact O-N 3.03Å
289S88.2Confident86.4Confident29 Ų2950.2 Ų50.220%0.20327%0.268CS..Hα-helixtrans-75.5-33.3177-57.90000113.1D285 D286 V287 N340 S344D285-S289 WeakPolarHBondContact O-CB 3.22Å; D285-S289 PolarHBondContact O-N 3.34Å; D285-S289 PolarHBondContact O-OG 3.26Å; D286-S289 PolarHBondContact O-N 3.47Å; D286-S289 VanDerWaalsContact O-N 3.12Å; V287-S289 VanDerWaalsContact C-N 3.32Å; V287-S289 PolarHBondContact O-N 3.18Å; S289-N340 PolarHBondContact O-ND2 2.58Å; S289-S344 PolarHBondContact O-OG 3.18Å
290I89.6Confident86.3Confident1 Ų142.5 Ų42.51%0.00524%0.236CC..Hα-helixtrans-76.3-32.6178.3-65.3165.4000111.9I282 D286 V287 S344 V347 L348 L379I282-I290 HydrophobicContact CD1-CD1 3.83Å; D286-I290 VanDerWaalsContact O-CG1 3.26Å; D286-I290 WeakPolarHBondContact O-CG1 3.09Å; D286-I290 PolarHBondContact O-N 3.4Å; V287-I290 PolarHBondContact O-N 3.12Å; I290-S344 WeakPolarHBondContact O-CB 3.49Å; I290-S344 PolarHBondContact O-OG 3.46Å; I290-V347 HydrophobicContact CD1-CG1 4.05Å; I290-V347 HydrophobicContact CG1-CB 4.09Å; I290-V347 HydrophobicContact CG1-CG1 3.82Å; I290-L348 HydrophobicContact CD1-CB 4.1Å; I290-L348 HydrophobicContact CD1-CD1 4.28Å; I290-L348 HydrophobicContact CG1-CB 4.23Å; I290-L379 HydrophobicContact CG2-CD1 3.94Å
291F89.6Confident86Confident9 Ų939.3 Ų39.34%0.03922%0.215CC..SBendtrans-12130.1-173.2-62.4-89000113.9F267 L268 L271 V287 N293 S294 L375 L379F267-F291 HydrophobicContact CB-CE1 4.12Å; F267-F291 HydrophobicContact CB-CZ 3.79Å; L268-F291 HydrophobicContact CB-CD1 3.94Å; L268-F291 HydrophobicContact CB-CD2 4.36Å; L268-F291 HydrophobicContact CB-CE1 4.16Å; L268-F291 HydrophobicContact CB-CG 4.05Å; L268-F291 HydrophobicContact CB-CZ 4.48Å; L268-F291 HydrophobicContact CD1-CB 3.7Å; L268-F291 HydrophobicContact CD1-CD2 3.87Å; L268-F291 HydrophobicContact CD1-CG 3.82Å; L268-F291 HydrophobicContact CD2-CB 4.04Å; L268-F291 HydrophobicContact CD2-CG 4.45Å; L268-F291 HydrophobicContact CG-CB 4.29Å; L268-F291 HydrophobicContact CG-CG 4.31Å; L271-F291 HydrophobicContact CD1-CE2 3.88Å; L271-F291 HydrophobicContact CD1-CZ 4.12Å; V287-F291 HydrophobicContact CG1-CD2 4.31Å; V287-F291 WeakPolarHBondContact O-CD2 3.37Å; V287-F291 PolarHBondContact O-N 2.77Å; V287-F291 VanDerWaalsContact O-N 3.17Å; F291-N293 PolarHBondContact O-N 3.47Å; F291-S294 PolarHBondContact O-N 3.33Å; F291-S294 PolarHBondContact O-OG 2.7Å; F291-L375 HydrophobicContact CE1-CD1 3.86Å; F291-L375 HydrophobicContact CZ-CD1 3.77Å; F291-L375 HydrophobicContact CZ-CD2 3.92Å; F291-L375 HydrophobicContact CZ-CG 4.45Å; F291-L379 HydrophobicContact CD1-CD2 4.1Å; F291-L379 HydrophobicContact CE1-CD2 4.19Å
292L87.6Confident85.8Confident62 Ų6240.4 Ų40.433%0.32522%0.217SC..THydrogen-bonded Turntrans-52.3128.3179.1-174.369.1000110.7S288 S294 F337 N340S288-L292 WeakPolarHBondContact O-CA 3.16Å; S288-L292 PolarHBondContact O-N 3.03Å; L292-S294 PolarHBondContact O-N 2.85Å; L292-F337 WeakPolarHBondContact O-CD2 3.47Å; L292-N340 WeakPolarHBondContact CB-ND2 3.33Å; L292-N340 HydrophobicContact CD2-CB 3.68Å
293N84.5Confident85.5Confident34 Ų3443 Ų4318%0.18223%0.231CC..THydrogen-bonded Turntrans58.8-5.3-178.3-68-13.5000117.8F291 E295 T296 I297 I333 E336F291-N293 PolarHBondContact O-N 3.47Å; N293-E295 VanDerWaalsContact C-N 3.33Å; N293-E295 PolarHBondContact O-N 3.08Å; N293-T296 WeakPolarHBondContact O-CB 3.35Å; N293-T296 PolarHBondContact O-N 2.97Å; N293-I297 HydrophobicContact CB-CD1 4.44Å; N293-I297 WeakPolarHBondContact O-CG1 3.49Å; N293-I297 PolarHBondContact O-N 3.4Å; N293-I333 HydrophobicContact CB-CG2 3.76Å; N293-I333 PolarHBondContact ND2-O 2.74Å; N293-E336 WeakPolarHBondContact ND2-CB 3.4Å; N293-E336 PolarHBondContact ND2-OE2 3.49Å
294S84.5Confident85.2Confident5 Ų540.9 Ų40.94%0.03522%0.216CC..Hα-helixtrans-56.7-40.3-177.1-570000114.1F291 L292 T296 M298F291-S294 PolarHBondContact O-N 3.33Å; F291-S294 PolarHBondContact O-OG 2.7Å; L292-S294 PolarHBondContact O-N 2.85Å; S294-T296 VanDerWaalsContact C-N 3.34Å; S294-M298 PolarHBondContact O-N 2.97Å; S294-M298 VanDerWaalsContact O-N 3.1Å
295E82.9Confident84.9Confident48 Ų4837.2 Ų37.222%0.22420%0.199CC..Hα-helixtrans-70.5-30.9178.8-169.1157.8-147.300112V264 L268 R269 R272 N293 F299V264-E295 HydrophobicContact CG1-CG 4.05Å; V264-E295 HydrophobicContact CG2-CB 4.24Å; L268-E295 HydrophobicContact CD2-CB 4.01Å; R269-E295 IonicContact CZ-OE1 3.32Å; R269-E295 IonicContact NE-OE1 3.34Å; R269-E295 PolarHBondContact NE-OE1 3.3Å; R269-E295 VanDerWaalsContact NE-OE1 3.12Å; R269-E295 IonicContact NH2-OE1 3.47Å; R269-E295 PolarHBondContact NH2-OE1 2.97Å; R272-E295 IonicContact CZ-OE2 2.71Å; R272-E295 VanDerWaalsContact CZ-OE2 3.25Å; R272-E295 IonicContact NH1-OE1 3.58Å; R272-E295 IonicContact NH1-OE2 2.73Å; R272-E295 PolarHBondContact NH1-OE2 3.04Å; R272-E295 IonicContact NH2-OE2 3.17Å; R272-E295 PolarHBondContact NH2-OE2 3.14Å; N293-E295 VanDerWaalsContact C-N 3.33Å; N293-E295 PolarHBondContact O-N 3.08Å; E295-F299 PolarHBondContact O-N 3.36Å
296T84.4Confident84.7Confident62 Ų6236.7 Ų36.738%0.3819%0.193SC..Hα-helixtrans-72.1-44.9174.7-40.80000111.4N293 S294 M298 F299 L300 I333N293-T296 WeakPolarHBondContact O-CB 3.35Å; N293-T296 PolarHBondContact O-N 2.97Å; S294-T296 VanDerWaalsContact C-N 3.34Å; T296-M298 VanDerWaalsContact C-N 3.32Å; T296-M298 PolarHBondContact O-N 3.05Å; T296-F299 PolarHBondContact O-N 3.32Å; T296-L300 HydrophobicContact CG2-CD1 3.95Å; T296-L300 WeakPolarHBondContact O-CD1 3.4Å; T296-L300 WeakPolarHBondContact O-CG 3.33Å; T296-L300 PolarHBondContact O-N 2.67Å; T296-L300 VanDerWaalsContact O-N 3.12Å; T296-I333 HydrophobicContact CG2-CD1 4.06Å; T296-I333 HydrophobicContact CG2-CG2 4.44Å
297I82.4Confident84.4Confident0 Ų035.1 Ų35.10%019%0.188CC..Hα-helixtrans-62.1-40.5178.3-65.3170.6000110.6L260 N293 F299 L300 H301 I333 Y334 F337L260-I297 HydrophobicContact CD1-CG2 3.76Å; L260-I297 HydrophobicContact CD2-CB 4.23Å; L260-I297 HydrophobicContact CD2-CG2 3.89Å; N293-I297 HydrophobicContact CB-CD1 4.44Å; N293-I297 WeakPolarHBondContact O-CG1 3.49Å; N293-I297 PolarHBondContact O-N 3.4Å; I297-F299 PolarHBondContact O-N 3.5Å; I297-L300 PolarHBondContact O-N 3.48Å; I297-H301 PolarHBondContact O-CD2 2.63Å; I297-H301 VanDerWaalsContact O-CD2 3.25Å; I297-H301 PolarHBondContact O-N 2.9Å; I297-I333 HydrophobicContact CD1-CG2 4.27Å; I297-I333 HydrophobicContact CG1-CG2 3.69Å; I297-Y334 HydrophobicContact CG1-CE2 4.45Å; I297-Y334 HydrophobicContact CG2-CE1 4.48Å; I297-Y334 HydrophobicContact CG2-CE2 3.81Å; I297-Y334 WeakPolarHBondContact CG2-OH 3.34Å; I297-F337 HydrophobicContact CD1-CB 3.76Å; I297-F337 HydrophobicContact CD1-CD2 3.84Å; I297-F337 HydrophobicContact CD1-CG 3.83Å
298M80.6Confident84Confident20 Ų2035 Ų3510%0.09919%0.188CC..Hα-helixtrans-55-51.9173.4-178.5-157.475.400112.2L260 A261 V264 S294 T296 L300 H301 E302L260-M298 HydrophobicContact CB-CB 4Å; L260-M298 HydrophobicContact CB-CG 4.14Å; L260-M298 HydrophobicContact CD2-CB 4.49Å; A261-M298 HydrophobicContact CB-CG 4.44Å; A261-M298 HydrophobicContact CB-SD 4.35Å; V264-M298 HydrophobicContact CB-SD 3.68Å; V264-M298 HydrophobicContact CG1-CE 4.43Å; V264-M298 HydrophobicContact CG1-SD 3.8Å; V264-M298 HydrophobicContact CG2-CB 4.13Å; V264-M298 HydrophobicContact CG2-CG 4.41Å; V264-M298 HydrophobicContact CG2-SD 3.77Å; S294-M298 PolarHBondContact O-N 2.97Å; S294-M298 VanDerWaalsContact O-N 3.1Å; T296-M298 VanDerWaalsContact C-N 3.32Å; T296-M298 PolarHBondContact O-N 3.05Å; M298-L300 VanDerWaalsContact C-N 3.32Å; M298-L300 PolarHBondContact O-N 2.91Å; M298-H301 PolarHBondContact O-N 3.15Å; M298-E302 PolarHBondContact O-N 2.96Å
299F81.6Confident83.7Confident115 Ų11536.6 Ų36.650%0.50419%0.186SC..Hα-helixtrans-65.5-32.9-176.7178.2-113.5000113.2E295 T296 I297 E302 I303E295-F299 PolarHBondContact O-N 3.36Å; T296-F299 PolarHBondContact O-N 3.32Å; I297-F299 PolarHBondContact O-N 3.5Å; F299-E302 WeakPolarHBondContact O-CB 3.45Å; F299-E302 PolarHBondContact O-N 2.85Å; F299-I303 HydrophobicContact CD1-CD1 4.14Å; F299-I303 HydrophobicContact CE1-CD1 3.66Å; F299-I303 HydrophobicContact CE2-CD1 4.39Å; F299-I303 HydrophobicContact CZ-CD1 3.81Å; F299-I303 HydrophobicContact CZ-CG1 4.43Å; F299-I303 WeakPolarHBondContact O-CG1 3.5Å; F299-I303 PolarHBondContact O-N 3.5Å
300L80.6Confident83.4Confident29 Ų2937.8 Ų37.815%0.15220%0.198CC..Hα-helixtrans-72.5-35.9179.5-70.1158.8000112.2T296 I297 M298 F304 M330 I333T296-L300 HydrophobicContact CG2-CD1 3.95Å; T296-L300 WeakPolarHBondContact O-CD1 3.4Å; T296-L300 WeakPolarHBondContact O-CG 3.33Å; T296-L300 PolarHBondContact O-N 2.67Å; T296-L300 VanDerWaalsContact O-N 3.12Å; I297-L300 PolarHBondContact O-N 3.48Å; M298-L300 VanDerWaalsContact C-N 3.32Å; M298-L300 PolarHBondContact O-N 2.91Å; L300-F304 PolarHBondContact O-N 3.39Å; L300-M330 HydrophobicContact CB-CE 3.63Å; L300-M330 HydrophobicContact CB-CG 4.05Å; L300-M330 HydrophobicContact CB-SD 3.43Å; L300-M330 WeakPolarHBondContact CB-SD 3.39Å; L300-M330 HydrophobicContact CD1-CG 3.99Å; L300-M330 HydrophobicContact CD1-SD 4.15Å; L300-M330 HydrophobicContact CG-CG 4.43Å; L300-M330 HydrophobicContact CG-SD 4.35Å; L300-I333 HydrophobicContact CD1-CD1 3.57Å
301H80.4Confident82.9Confident3 Ų340.9 Ų40.91%0.01421%0.209CC..Hα-helixtrans-71.9-31.8170.3-72.7-58.5000113.1I297 M298 I303 F304 H305 Y334 Y389I297-H301 PolarHBondContact O-CD2 2.63Å; I297-H301 VanDerWaalsContact O-CD2 3.25Å; I297-H301 PolarHBondContact O-N 2.9Å; M298-H301 PolarHBondContact O-N 3.15Å; H301-I303 VanDerWaalsContact C-N 3.34Å; H301-I303 PolarHBondContact O-N 2.8Å; H301-F304 PolarHBondContact O-N 2.79Å; H301-H305 WeakPolarHBondContact O-CB 3.41Å; H301-H305 PolarHBondContact O-N 2.99Å; H301-Y334 AromaticContact NE2-CE2 3.81Å; H301-Y334 AromaticContact NE2-CZ 3.76Å; H301-Y334 PolarHBondContact NE2-OH 3.39Å; H301-Y389 AromaticContact CE1-CE2 3.95Å; H301-Y389 PolarHBondContact CE1-OH 3.43Å; H301-Y389 PolarHBondContact ND1-OH 3.17Å
302E80.3Confident82.3Confident50 Ų5042.5 Ų42.523%0.23422%0.218CC..Hα-helixtrans-58.5-45172-175.1173.8-173.700111.7Y255 M298 F299 H305 Q306Y255-E302 HydrophobicContact CD2-CB 4.37Å; Y255-E302 HydrophobicContact CE2-CB 3.69Å; Y255-E302 HydrophobicContact CE2-CG 3.74Å; Y255-E302 VanDerWaalsContact OH-CD 3.31Å; Y255-E302 PolarHBondContact OH-OE1 2.99Å; M298-E302 PolarHBondContact O-N 2.96Å; F299-E302 WeakPolarHBondContact O-CB 3.45Å; F299-E302 PolarHBondContact O-N 2.85Å; E302-H305 PolarHBondContact O-N 2.85Å; E302-Q306 WeakPolarHBondContact O-CG 3.47Å; E302-Q306 PolarHBondContact O-N 3.31Å; E302-Q306 VanDerWaalsContact O-N 3.07Å
303I82.8Confident81.6Confident62 Ų6243.4 Ų43.432%0.31823%0.234SC..Hα-helixtrans-62.1-45.3175.3-67.9168000111.2F299 H301 Q306 G307 I326F299-I303 HydrophobicContact CD1-CD1 4.14Å; F299-I303 HydrophobicContact CE1-CD1 3.66Å; F299-I303 HydrophobicContact CE2-CD1 4.39Å; F299-I303 HydrophobicContact CZ-CD1 3.81Å; F299-I303 HydrophobicContact CZ-CG1 4.43Å; F299-I303 WeakPolarHBondContact O-CG1 3.5Å; F299-I303 PolarHBondContact O-N 3.5Å; H301-I303 VanDerWaalsContact C-N 3.34Å; H301-I303 PolarHBondContact O-N 2.8Å; I303-Q306 PolarHBondContact O-N 2.72Å; I303-G307 PolarHBondContact O-N 2.72Å; I303-I326 HydrophobicContact CG2-CG2 4.07Å
304F84Confident80.6Confident1 Ų146.9 Ų46.90%0.00425%0.253CS..Hα-helixtrans-62.2-44.3179-175.3-123.6000112M247 E251 L300 H301 Q306 G307 L308 L323 F324 L327 Y389M247-F304 HydrophobicContact CE-CE1 3.7Å; M247-F304 HydrophobicContact CE-CZ 3.5Å; E251-F304 HydrophobicContact CG-CE1 4.49Å; L300-F304 PolarHBondContact O-N 3.39Å; H301-F304 PolarHBondContact O-N 2.79Å; F304-Q306 PolarHBondContact O-N 2.97Å; F304-G307 PolarHBondContact O-N 3.39Å; F304-L308 HydrophobicContact CD1-CD1 3.8Å; F304-L308 HydrophobicContact CE1-CD1 3.64Å; F304-L308 HydrophobicContact CE1-CG 4.47Å; F304-L308 HydrophobicContact CE2-CD1 4.44Å; F304-L308 HydrophobicContact CE2-CG 4.44Å; F304-L308 HydrophobicContact CG-CD1 4.29Å; F304-L308 HydrophobicContact CZ-CD1 4Å; F304-L308 HydrophobicContact CZ-CD2 4.46Å; F304-L308 HydrophobicContact CZ-CG 4.39Å; F304-L308 WeakPolarHBondContact O-CG 3.39Å; F304-L308 PolarHBondContact O-N 2.81Å; F304-L323 HydrophobicContact CD2-CB 4.09Å; F304-L323 HydrophobicContact CE2-CB 3.82Å; F304-F324 HydrophobicContact CZ-CD1 4.38Å; F304-F324 HydrophobicContact CZ-CE1 4.09Å; F304-F324 HydrophobicContact CZ-CE2 4.4Å; F304-F324 HydrophobicContact CZ-CZ 4.12Å; F304-L327 HydrophobicContact CB-CD2 3.97Å; F304-L327 HydrophobicContact CD1-CD2 3.83Å; F304-L327 HydrophobicContact CD2-CD2 3.54Å; F304-L327 HydrophobicContact CD2-CG 4.08Å; F304-L327 HydrophobicContact CE1-CD1 4.36Å; F304-L327 HydrophobicContact CE1-CD2 4.08Å; F304-L327 HydrophobicContact CE2-CD1 3.97Å; F304-L327 HydrophobicContact CE2-CD2 3.82Å; F304-L327 HydrophobicContact CE2-CG 3.97Å; F304-L327 HydrophobicContact CG-CD2 3.54Å; F304-L327 HydrophobicContact CZ-CD1 3.87Å; F304-L327 HydrophobicContact CZ-CD2 4.07Å; F304-L327 HydrophobicContact CZ-CG 4.31Å; F304-Y389 HydrophobicContact CE1-CE1 4Å
305H82.6Confident79.2Confident4 Ų454.1 Ų54.12%0.01928%0.28CS..Hα-helixtrans-60.5-43.6177.1-173.6-140.1000112.9T252 Y255 H301 E302 L308 K309T252-H305 WeakPolarHBondContact CA-NE2 3.43Å; T252-H305 PolarHBondContact N-NE2 3.42Å; T252-H305 PolarHBondContact OG1-NE2 2.77Å; Y255-H305 AromaticContact CD1-CE1 3.81Å; Y255-H305 AromaticContact CD1-ND1 3.5Å; Y255-H305 WeakPolarHBondContact CD1-ND1 3.45Å; Y255-H305 AromaticContact CG-ND1 3.87Å; H301-H305 WeakPolarHBondContact O-CB 3.41Å; H301-H305 PolarHBondContact O-N 2.99Å; E302-H305 PolarHBondContact O-N 2.85Å; H305-L308 PolarHBondContact O-N 3.15Å; H305-K309 VanDerWaalsContact CE1-CE 3.41Å; H305-K309 WeakPolarHBondContact CE1-CE 3.34Å; H305-K309 PolarHBondContact CE1-NZ 3.25Å; H305-K309 WeakPolarHBondContact NE2-CE 3.4Å; H305-K309 PolarHBondContact O-N 2.84Å; H305-K309 VanDerWaalsContact O-N 3.1Å
306Q83.1Confident77.5Confident114 Ų11456.3 Ų56.353%0.53330%0.298SS..Hα-helixtrans-64.8-41.7175.5-69.5-18029.300111.4E302 I303 F304 K309 A310E302-Q306 WeakPolarHBondContact O-CG 3.47Å; E302-Q306 PolarHBondContact O-N 3.31Å; E302-Q306 VanDerWaalsContact O-N 3.07Å; I303-Q306 PolarHBondContact O-N 2.72Å; F304-Q306 PolarHBondContact O-N 2.97Å; Q306-K309 PolarHBondContact O-N 3.37Å; Q306-A310 WeakPolarHBondContact O-CB 3.45Å; Q306-A310 PolarHBondContact O-N 3.5Å
307G83.1Confident76.1Confident18 Ų1858.9 Ų58.919%0.18631%0.313CS..Hα-helixtrans-60.2-45.8174.900000113.2I303 F304 A310 R311I303-G307 PolarHBondContact O-N 2.72Å; F304-G307 PolarHBondContact O-N 3.39Å; G307-A310 PolarHBondContact O-N 3.41Å; G307-R311 PolarHBondContact O-N 3.47Å; G307-R311 VanDerWaalsContact O-N 3.08Å
308L82.8Confident75.3Confident0 Ų059.4 Ų59.40%032%0.316CS..Hα-helixtrans-60.4-47.2176.9-75.5169000112.2M247 V248 E251 F304 H305 A310 R311 I312 L320 L323M247-L308 HydrophobicContact CE-CD1 3.98Å; M247-L308 HydrophobicContact CE-CD2 4Å; V248-L308 HydrophobicContact CG1-CB 4.47Å; V248-L308 HydrophobicContact CG2-CB 3.8Å; V248-L308 HydrophobicContact CG2-CD1 4.35Å; V248-L308 HydrophobicContact CG2-CD2 4.23Å; V248-L308 HydrophobicContact CG2-CG 4.36Å; E251-L308 HydrophobicContact CB-CD1 4.32Å; E251-L308 HydrophobicContact CG-CD1 3.88Å; F304-L308 HydrophobicContact CD1-CD1 3.8Å; F304-L308 HydrophobicContact CE1-CD1 3.64Å; F304-L308 HydrophobicContact CE1-CG 4.47Å; F304-L308 HydrophobicContact CE2-CD1 4.44Å; F304-L308 HydrophobicContact CE2-CG 4.44Å; F304-L308 HydrophobicContact CG-CD1 4.29Å; F304-L308 HydrophobicContact CZ-CD1 4Å; F304-L308 HydrophobicContact CZ-CD2 4.46Å; F304-L308 HydrophobicContact CZ-CG 4.39Å; F304-L308 WeakPolarHBondContact O-CG 3.39Å; F304-L308 PolarHBondContact O-N 2.81Å; H305-L308 PolarHBondContact O-N 3.15Å; L308-A310 VanDerWaalsContact C-N 3.34Å; L308-A310 PolarHBondContact O-N 3.25Å; L308-R311 PolarHBondContact O-N 3.32Å; L308-I312 PolarHBondContact O-N 3.28Å; L308-I312 VanDerWaalsContact O-N 3.08Å; L308-L320 HydrophobicContact CD2-CD2 4.21Å; L308-L323 HydrophobicContact CD2-CD1 3.83Å; L308-L323 HydrophobicContact CG-CD1 4.1Å
309K82.1Confident74.9Confident102 Ų10261.5 Ų61.544%0.44333%0.33SS..Hα-helixtrans-60-42.8175.4-78.2174.1169.4171.80112.4V248 H305 Q306 R311 I312 A313V248-K309 HydrophobicContact CG1-CG 4.14Å; H305-K309 VanDerWaalsContact CE1-CE 3.41Å; H305-K309 WeakPolarHBondContact CE1-CE 3.34Å; H305-K309 PolarHBondContact CE1-NZ 3.25Å; H305-K309 WeakPolarHBondContact NE2-CE 3.4Å; H305-K309 PolarHBondContact O-N 2.84Å; H305-K309 VanDerWaalsContact O-N 3.1Å; Q306-K309 PolarHBondContact O-N 3.37Å; K309-R311 VanDerWaalsContact C-N 3.27Å; K309-R311 PolarHBondContact O-N 3.18Å; K309-I312 PolarHBondContact O-N 2.94Å; K309-A313 PolarHBondContact O-N 2.7Å; K309-A313 VanDerWaalsContact O-N 3.15Å
310A81.6Confident74.6Confident55 Ų5556 Ų5646%0.45531%0.306SS..Hα-helixtrans-64.4-29.1177.600000113Q306 G307 L308 N314Q306-A310 WeakPolarHBondContact O-CB 3.45Å; Q306-A310 PolarHBondContact O-N 3.5Å; G307-A310 PolarHBondContact O-N 3.41Å; L308-A310 VanDerWaalsContact C-N 3.34Å; L308-A310 PolarHBondContact O-N 3.25Å; A310-N314 PolarHBondContact O-ND2 3.34Å
311R78.9Confident74.3Confident65 Ų6555 Ų5525%0.24530%0.301CS..Hα-helixtrans-76.2-40.2173.1-66.7-64.6168.887.20.7112.7G307 L308 K309 A313 N314 L318 V319 L320 D322 L323G307-R311 PolarHBondContact O-N 3.47Å; G307-R311 VanDerWaalsContact O-N 3.08Å; L308-R311 PolarHBondContact O-N 3.32Å; K309-R311 VanDerWaalsContact C-N 3.27Å; K309-R311 PolarHBondContact O-N 3.18Å; R311-A313 VanDerWaalsContact C-N 3.27Å; R311-A313 PolarHBondContact O-N 2.93Å; R311-N314 PolarHBondContact O-N 2.87Å; R311-L318 HydrophobicContact CB-CD2 4.46Å; R311-L318 WeakPolarHBondContact O-CD2 3.35Å; R311-V319 WeakPolarHBondContact CD-O 3.41Å; R311-V319 WeakPolarHBondContact CG-O 3.06Å; R311-V319 PolarHBondContact NH1-O 3.06Å; R311-L320 HydrophobicContact CB-CD2 4.23Å; R311-D322 IonicContact CZ-OD1 3.45Å; R311-D322 IonicContact CZ-OD2 3.14Å; R311-D322 IonicContact NH1-OD1 2.72Å; R311-D322 PolarHBondContact NH1-OD1 3.08Å; R311-D322 IonicContact NH1-OD2 2.71Å; R311-D322 PolarHBondContact NH1-OD2 2.85Å; R311-D322 IonicContact NH2-OD1 3.38Å; R311-D322 IonicContact NH2-OD2 3.5Å; R311-D322 PolarHBondContact NH2-OD2 3.32Å; R311-L323 HydrophobicContact CG-CD1 3.88Å
312I76.8Confident74.2Confident44 Ų4457.9 Ų57.923%0.22632%0.317CS..Hα-helixtrans-60.8-35.6175.4-74.8-173.6000112.3F245 V248 L308 K309 N314 W315 L318F245-I312 HydrophobicContact CD1-CD1 3.89Å; F245-I312 HydrophobicContact CE1-CD1 4.15Å; F245-I312 HydrophobicContact CE1-CG2 4.13Å; V248-I312 HydrophobicContact CB-CD1 3.7Å; V248-I312 HydrophobicContact CG1-CD1 4.02Å; V248-I312 HydrophobicContact CG2-CD1 3.46Å; V248-I312 VanDerWaalsContact CG2-CD1 3.46Å; V248-I312 HydrophobicContact CG2-CG1 4.35Å; L308-I312 PolarHBondContact O-N 3.28Å; L308-I312 VanDerWaalsContact O-N 3.08Å; K309-I312 PolarHBondContact O-N 2.94Å; I312-N314 PolarHBondContact O-N 3.26Å; I312-N314 VanDerWaalsContact O-N 3.13Å; I312-W315 PolarHBondContact O-N 2.88Å; I312-L318 HydrophobicContact CG1-CD2 4.39Å
313A73.6Confident74.2Confident81 Ų8155.8 Ų55.867%0.66931%0.307SS*.THydrogen-bonded Turntrans-61-19.5174.800000114.4K309 R311K309-A313 PolarHBondContact O-N 2.7Å; K309-A313 VanDerWaalsContact O-N 3.15Å; R311-A313 VanDerWaalsContact C-N 3.27Å; R311-A313 PolarHBondContact O-N 2.93Å
314N63.6Low74.1Confident107 Ų10753 Ų5357%0.57229%0.293SS*.THydrogen-bonded Turntrans-109.428.4-177.6-66.1-31.8000113A310 R311 I312 T317A310-N314 PolarHBondContact O-ND2 3.34Å; R311-N314 PolarHBondContact O-N 2.87Å; I312-N314 PolarHBondContact O-N 3.26Å; I312-N314 VanDerWaalsContact O-N 3.13Å; N314-T317 PolarHBondContact O-N 3.27Å; N314-T317 PolarHBondContact O-OG1 2.83Å
315W55.9Low73.7Confident157 Ų15756.7 Ų56.760%0.59531%0.313SS*.THydrogen-bonded Turntrans-57.5140.8171.2-174.486.9000111.1I312I312-W315 PolarHBondContact O-N 2.88Å
316P45.6Very low73.2Confident93 Ų9360 Ų6060%0.60433%0.33SS*.THydrogen-bonded Turncis-94.1-6.915.536.7-37.2000116.4L318P316-L318 PolarHBondContact O-N 3Å
317T56.2Low72.5Confident116 Ų11655.2 Ų55.271%0.71231%0.308SS*.SBendtrans-80.566.3-176.944.60000112.2N314 V319N314-T317 PolarHBondContact O-N 3.27Å; N314-T317 PolarHBondContact O-OG1 2.83Å; T317-V319 PolarHBondContact O-N 3.24Å
318L64.6Low71.8Confident11 Ų1156.5 Ų56.56%0.05831%0.31CS..  trans-74.9109.4176.6-71173.5000111.2V244 R311 I312 P316V244-L318 HydrophobicContact CG1-CD1 4.31Å; R311-L318 HydrophobicContact CB-CD2 4.46Å; R311-L318 WeakPolarHBondContact O-CD2 3.35Å; I312-L318 HydrophobicContact CG1-CD2 4.39Å; P316-L318 PolarHBondContact O-N 3Å
319V71.8Confident71Confident64 Ų6460.6 Ų60.639%0.38834%0.337SS..  trans-112133.5160.4176.20000108R311 T317 E406R311-V319 WeakPolarHBondContact CD-O 3.41Å; R311-V319 WeakPolarHBondContact CG-O 3.06Å; R311-V319 PolarHBondContact NH1-O 3.06Å; T317-V319 PolarHBondContact O-N 3.24Å; V319-E406 WeakPolarHBondContact CA-OE1 3.35Å; V319-E406 HydrophobicContact CG1-CG 4.3Å; V319-E406 HydrophobicContact CG2-CG 4.44Å
320L76.2Confident70.2Confident1 Ų156 Ų561%0.00532%0.317CS..  trans-128.4-25.9-173.7-58.2175.2000112.7V244 L308 R311 D322 L323 F324 E406V244-L320 HydrophobicContact CB-CD1 4.32Å; V244-L320 HydrophobicContact CG1-CD1 3.76Å; V244-L320 HydrophobicContact CG1-CD2 4.42Å; V244-L320 HydrophobicContact CG2-CD1 3.55Å; L308-L320 HydrophobicContact CD2-CD2 4.21Å; R311-L320 HydrophobicContact CB-CD2 4.23Å; L320-D322 VanDerWaalsContact C-N 3.28Å; L320-D322 PolarHBondContact O-N 3.18Å; L320-L323 HydrophobicContact CD2-CD1 4.45Å; L320-L323 VanDerWaalsContact O-CB 3.29Å; L320-L323 WeakPolarHBondContact O-CB 3.38Å; L320-L323 PolarHBondContact O-N 3.49Å; L320-F324 WeakPolarHBondContact O-CD2 3.44Å; L320-E406 PolarHBondContact N-OE1 3.29Å
321A74.8Confident69.5Low6 Ų655.4 Ų55.45%0.0531%0.306CS..Hα-helixtrans-59.9-34.5-168.400000114.3L323 F324 D325 E406 S409 L410A321-L323 VanDerWaalsContact C-N 3.27Å; A321-L323 PolarHBondContact O-N 3.42Å; A321-F324 WeakPolarHBondContact O-CB 3.4Å; A321-F324 PolarHBondContact O-N 2.95Å; A321-F324 VanDerWaalsContact O-N 3.09Å; A321-D325 PolarHBondContact O-N 3.03Å; A321-E406 PolarHBondContact N-OE1 3.2Å; A321-S409 VanDerWaalsContact CB-CB 3.44Å; A321-L410 HydrophobicContact CB-CD2 3.96Å; A321-L410 HydrophobicContact CB-CG 4.11Å
322D78.4Confident69.3Low64 Ų6457.5 Ų57.534%0.34232%0.322SS..Hα-helixtrans-71.5-17.3176.463.6-42.5000113.5R311 L320R311-D322 IonicContact CZ-OD1 3.45Å; R311-D322 IonicContact CZ-OD2 3.14Å; R311-D322 IonicContact NH1-OD1 2.72Å; R311-D322 PolarHBondContact NH1-OD1 3.08Å; R311-D322 IonicContact NH1-OD2 2.71Å; R311-D322 PolarHBondContact NH1-OD2 2.85Å; R311-D322 IonicContact NH2-OD1 3.38Å; R311-D322 IonicContact NH2-OD2 3.5Å; R311-D322 PolarHBondContact NH2-OD2 3.32Å; L320-D322 VanDerWaalsContact C-N 3.28Å; L320-D322 PolarHBondContact O-N 3.18Å
323L79.8Confident69.5Low6 Ų657.1 Ų57.13%0.03132%0.32CS..Hα-helixtrans-72.9-30.6168-59.1178.3000111.5F304 L308 R311 L320 A321 D325 I326F304-L323 HydrophobicContact CD2-CB 4.09Å; F304-L323 HydrophobicContact CE2-CB 3.82Å; L308-L323 HydrophobicContact CD2-CD1 3.83Å; L308-L323 HydrophobicContact CG-CD1 4.1Å; R311-L323 HydrophobicContact CG-CD1 3.88Å; L320-L323 HydrophobicContact CD2-CD1 4.45Å; L320-L323 VanDerWaalsContact O-CB 3.29Å; L320-L323 WeakPolarHBondContact O-CB 3.38Å; L320-L323 PolarHBondContact O-N 3.49Å; A321-L323 VanDerWaalsContact C-N 3.27Å; A321-L323 PolarHBondContact O-N 3.42Å; L323-D325 VanDerWaalsContact C-N 3.32Å; L323-I326 HydrophobicContact CD2-CD1 4.1Å; L323-I326 WeakPolarHBondContact O-CB 3.26Å; L323-I326 PolarHBondContact O-N 2.84Å
324F81Confident69.8Low4 Ų453.3 Ų53.32%0.01829%0.288CS..Hα-helixtrans-71.7-27.2175-71.7-96.1000112.1M247 F304 L320 A321 I326 L327 L393 L410 A413 L417M247-F324 HydrophobicContact CE-CE1 4.19Å; M247-F324 HydrophobicContact CE-CE2 4.15Å; M247-F324 HydrophobicContact CE-CZ 3.46Å; M247-F324 VanDerWaalsContact CE-CZ 3.46Å; M247-F324 HydrophobicContact SD-CZ 4.12Å; F304-F324 HydrophobicContact CZ-CD1 4.38Å; F304-F324 HydrophobicContact CZ-CE1 4.09Å; F304-F324 HydrophobicContact CZ-CE2 4.4Å; F304-F324 HydrophobicContact CZ-CZ 4.12Å; L320-F324 WeakPolarHBondContact O-CD2 3.44Å; A321-F324 WeakPolarHBondContact O-CB 3.4Å; A321-F324 PolarHBondContact O-N 2.95Å; A321-F324 VanDerWaalsContact O-N 3.09Å; F324-I326 PolarHBondContact O-N 3.2Å; F324-L327 HydrophobicContact CB-CD1 4.27Å; F324-L327 HydrophobicContact CD1-CD1 3.45Å; F324-L327 VanDerWaalsContact CD1-CD1 3.45Å; F324-L327 HydrophobicContact CE1-CD1 4.08Å; F324-L327 HydrophobicContact CG-CD1 4.11Å; F324-L327 VanDerWaalsContact O-CB 3.27Å; F324-L327 WeakPolarHBondContact O-CB 3.38Å; F324-L327 PolarHBondContact O-N 3.12Å; F324-L393 HydrophobicContact CD1-CD1 4.02Å; F324-L393 HydrophobicContact CE1-CD1 3.7Å; F324-L393 HydrophobicContact CE1-CD2 3.91Å; F324-L393 HydrophobicContact CE1-CG 3.93Å; F324-L393 HydrophobicContact CE2-CD2 4.08Å; F324-L393 HydrophobicContact CZ-CD1 4.31Å; F324-L393 HydrophobicContact CZ-CD2 3.64Å; F324-L393 HydrophobicContact CZ-CG 4.07Å; F324-L410 HydrophobicContact CD2-CD2 4.39Å; F324-L410 HydrophobicContact CE2-CD2 4.33Å; F324-A413 HydrophobicContact CB-CB 3.58Å; F324-A413 HydrophobicContact CD1-CB 4.3Å; F324-A413 HydrophobicContact CG-CB 4.01Å; F324-L417 HydrophobicContact CD1-CD1 4.12Å; F324-L417 HydrophobicContact CE1-CD1 4.36Å
325D75.3Confident70.5Confident78 Ų7851.1 Ų51.142%0.41728%0.275SS..Hα-helixtrans-63.2-28.1171-71.9-38.7000112.2A321 L323 L327 L328A321-D325 PolarHBondContact O-N 3.03Å; L323-D325 VanDerWaalsContact C-N 3.32Å; D325-L327 PolarHBondContact O-N 3.25Å; D325-L328 HydrophobicContact CB-CD1 4.38Å; D325-L328 WeakPolarHBondContact O-CB 3.35Å; D325-L328 PolarHBondContact O-N 2.97Å; D325-L328 WeakPolarHBondContact OD1-CD1 3.46Å
326I72.8Confident71.7Confident75 Ų7547.6 Ų47.639%0.38527%0.265SS..THydrogen-bonded Turntrans-70-21.3173.2-51.7173.7000111.4I303 L323 F324 P329I303-I326 HydrophobicContact CG2-CG2 4.07Å; L323-I326 HydrophobicContact CD2-CD1 4.1Å; L323-I326 WeakPolarHBondContact O-CB 3.26Å; L323-I326 PolarHBondContact O-N 2.84Å; F324-I326 PolarHBondContact O-N 3.2Å; I326-P329 WeakPolarHBondContact O-CD 3.5Å
327L68.4Low73.5Confident12 Ų1243.6 Ų43.66%0.06324%0.238CC..THydrogen-bonded Turntrans-78.6-21.5173.1-48.7172.7000112.7F304 F324 D325 M330F304-L327 HydrophobicContact CB-CD2 3.97Å; F304-L327 HydrophobicContact CD1-CD2 3.83Å; F304-L327 HydrophobicContact CD2-CD2 3.54Å; F304-L327 HydrophobicContact CD2-CG 4.08Å; F304-L327 HydrophobicContact CE1-CD1 4.36Å; F304-L327 HydrophobicContact CE1-CD2 4.08Å; F304-L327 HydrophobicContact CE2-CD1 3.97Å; F304-L327 HydrophobicContact CE2-CD2 3.82Å; F304-L327 HydrophobicContact CE2-CG 3.97Å; F304-L327 HydrophobicContact CG-CD2 3.54Å; F304-L327 HydrophobicContact CZ-CD1 3.87Å; F304-L327 HydrophobicContact CZ-CD2 4.07Å; F304-L327 HydrophobicContact CZ-CG 4.31Å; F324-L327 HydrophobicContact CB-CD1 4.27Å; F324-L327 HydrophobicContact CD1-CD1 3.45Å; F324-L327 VanDerWaalsContact CD1-CD1 3.45Å; F324-L327 HydrophobicContact CE1-CD1 4.08Å; F324-L327 HydrophobicContact CG-CD1 4.11Å; F324-L327 VanDerWaalsContact O-CB 3.27Å; F324-L327 WeakPolarHBondContact O-CB 3.38Å; F324-L327 PolarHBondContact O-N 3.12Å; D325-L327 PolarHBondContact O-N 3.25Å; L327-M330 HydrophobicContact CB-CE 4.3Å; L327-M330 HydrophobicContact CD2-CE 3.33Å; L327-M330 HydrophobicContact CG-CE 4.39Å; L327-M330 WeakPolarHBondContact O-CB 3.24Å; L327-M330 VanDerWaalsContact O-CG 3.29Å; L327-M330 WeakPolarHBondContact O-CG 3.42Å; L327-M330 PolarHBondContact O-N 3.49Å
328L68.2Low74.7Confident46 Ų4638.3 Ų38.324%0.24121%0.205CC..THydrogen-bonded Turntrans-62.7-32.6-173.4-63.5175.9000114.6D325 M330 L331 F412 K416D325-L328 HydrophobicContact CB-CD1 4.38Å; D325-L328 WeakPolarHBondContact O-CB 3.35Å; D325-L328 PolarHBondContact O-N 2.97Å; D325-L328 WeakPolarHBondContact OD1-CD1 3.46Å; L328-M330 PolarHBondContact O-N 3.37Å; L328-L331 HydrophobicContact CD2-CD1 4.41Å; L328-L331 VanDerWaalsContact O-CD1 3.25Å; L328-L331 WeakPolarHBondContact O-CD1 3.32Å; L328-L331 WeakPolarHBondContact O-CG 3.26Å; L328-L331 PolarHBondContact O-N 3.36Å; L328-F412 HydrophobicContact CD1-CE1 4.13Å; L328-K416 HydrophobicContact CD2-CB 3.63Å; L328-K416 HydrophobicContact CD2-CD 4.32Å; L328-K416 HydrophobicContact CD2-CG 3.87Å
329P64.5Low75.5Confident85 Ų8544.2 Ų44.255%0.55223%0.227SC*.THydrogen-bonded Turntrans-62.6-19.8168.8-26.136.7000114.7I326 L331I326-P329 WeakPolarHBondContact O-CD 3.5Å; P329-L331 VanDerWaalsContact C-N 3.28Å; P329-L331 PolarHBondContact O-N 3.31Å
330M66.1Low76.1Confident6 Ų642.5 Ų42.53%0.0322%0.216CC..Hα-helixtrans-73-17.9-179.7-50.7-149.6-141.500113.8L300 L327 L328 N332 I333 Y334L300-M330 HydrophobicContact CB-CE 3.63Å; L300-M330 HydrophobicContact CB-CG 4.05Å; L300-M330 HydrophobicContact CB-SD 3.43Å; L300-M330 WeakPolarHBondContact CB-SD 3.39Å; L300-M330 HydrophobicContact CD1-CG 3.99Å; L300-M330 HydrophobicContact CD1-SD 4.15Å; L300-M330 HydrophobicContact CG-CG 4.43Å; L300-M330 HydrophobicContact CG-SD 4.35Å; L327-M330 HydrophobicContact CB-CE 4.3Å; L327-M330 HydrophobicContact CD2-CE 3.33Å; L327-M330 HydrophobicContact CG-CE 4.39Å; L327-M330 WeakPolarHBondContact O-CB 3.24Å; L327-M330 VanDerWaalsContact O-CG 3.29Å; L327-M330 WeakPolarHBondContact O-CG 3.42Å; L327-M330 PolarHBondContact O-N 3.49Å; L328-M330 PolarHBondContact O-N 3.37Å; M330-N332 VanDerWaalsContact C-N 3.32Å; M330-N332 PolarHBondContact O-N 3.5Å; M330-I333 PolarHBondContact O-N 2.69Å; M330-Y334 HydrophobicContact CB-CD2 3.99Å; M330-Y334 HydrophobicContact CB-CE2 4.4Å; M330-Y334 PolarHBondContact O-N 2.88Å; M330-Y334 HydrophobicContact SD-CE2 4.06Å
331L66.3Low76.4Confident43 Ų4343.3 Ų43.323%0.22522%0.219CC..Hα-helixtrans-48.2-52.9-174.3-65.8168.2000111.8L328 P329 I333 Q335 L420L328-L331 HydrophobicContact CD2-CD1 4.41Å; L328-L331 VanDerWaalsContact O-CD1 3.25Å; L328-L331 WeakPolarHBondContact O-CD1 3.32Å; L328-L331 WeakPolarHBondContact O-CG 3.26Å; L328-L331 PolarHBondContact O-N 3.36Å; P329-L331 VanDerWaalsContact C-N 3.28Å; P329-L331 PolarHBondContact O-N 3.31Å; L331-I333 PolarHBondContact O-N 3.26Å; L331-Q335 WeakPolarHBondContact O-CB 3.41Å; L331-Q335 PolarHBondContact O-N 2.88Å; L331-L420 HydrophobicContact CB-CD1 4.42Å; L331-L420 HydrophobicContact CD2-CB 3.63Å; L331-L420 HydrophobicContact CD2-CD1 3.96Å; L331-L420 HydrophobicContact CD2-CD2 4.01Å; L331-L420 HydrophobicContact CD2-CG 4.04Å
332N74.4Confident76.5Confident109 Ų10947.4 Ų47.458%0.58324%0.237SC*.Hα-helixtrans-67.4-36.8-179.4-57.5-11000112.4M330 Q335 E336M330-N332 VanDerWaalsContact C-N 3.32Å; M330-N332 PolarHBondContact O-N 3.5Å; N332-Q335 PolarHBondContact O-N 3.16Å; N332-E336 WeakPolarHBondContact O-CG 3.25Å; N332-E336 PolarHBondContact O-N 2.81Å
333I81.7Confident76.7Confident35 Ų3550.2 Ų50.218%0.17924%0.244CC..Hα-helixtrans-70.1-39.4-175.2-56.5174.9000109.9N293 T296 I297 L300 M330 L331 F337N293-I333 HydrophobicContact CB-CG2 3.76Å; N293-I333 PolarHBondContact ND2-O 2.74Å; T296-I333 HydrophobicContact CG2-CD1 4.06Å; T296-I333 HydrophobicContact CG2-CG2 4.44Å; I297-I333 HydrophobicContact CD1-CG2 4.27Å; I297-I333 HydrophobicContact CG1-CG2 3.69Å; L300-I333 HydrophobicContact CD1-CD1 3.57Å; M330-I333 PolarHBondContact O-N 2.69Å; L331-I333 PolarHBondContact O-N 3.26Å; I333-F337 WeakPolarHBondContact O-CB 3.23Å; I333-F337 PolarHBondContact O-N 3Å
334Y79.8Confident77Confident1 Ų150.2 Ų50.20%0.00425%0.245CC..Hα-helixtrans-67.3-42.5171.1-96.9-81.9000112.7I297 H301 M330 E336 F337 V338 P382 I386 M424I297-Y334 HydrophobicContact CG1-CE2 4.45Å; I297-Y334 HydrophobicContact CG2-CE1 4.48Å; I297-Y334 HydrophobicContact CG2-CE2 3.81Å; I297-Y334 WeakPolarHBondContact CG2-OH 3.34Å; H301-Y334 AromaticContact NE2-CE2 3.81Å; H301-Y334 AromaticContact NE2-CZ 3.76Å; H301-Y334 PolarHBondContact NE2-OH 3.39Å; M330-Y334 HydrophobicContact CB-CD2 3.99Å; M330-Y334 HydrophobicContact CB-CE2 4.4Å; M330-Y334 PolarHBondContact O-N 2.88Å; M330-Y334 HydrophobicContact SD-CE2 4.06Å; Y334-E336 VanDerWaalsContact C-N 3.34Å; Y334-E336 PolarHBondContact O-N 2.65Å; Y334-F337 PolarHBondContact O-N 3.02Å; Y334-V338 WeakPolarHBondContact O-CB 3.47Å; Y334-V338 VanDerWaalsContact O-CG2 3.3Å; Y334-V338 WeakPolarHBondContact O-CG2 3.23Å; Y334-V338 PolarHBondContact O-N 3.39Å; Y334-P382 HydrophobicContact CE1-CB 3.82Å; Y334-P382 WeakPolarHBondContact CE1-O 3.43Å; Y334-I386 HydrophobicContact CD1-CG1 4.23Å; Y334-I386 HydrophobicContact CD2-CD1 4.47Å; Y334-I386 HydrophobicContact CE1-CD1 4.4Å; Y334-I386 HydrophobicContact CE1-CG1 4.13Å; Y334-I386 HydrophobicContact CE2-CD1 4.21Å; Y334-M424 HydrophobicContact CD1-CE 4.4Å; Y334-M424 HydrophobicContact CD1-SD 4.19Å
335Q78Confident77.1Confident61 Ų6152 Ų5229%0.28525%0.254SS..Hα-helixtrans-58.2-46175.7-173.2177.73.500111.4L331 N332 V338 R339 V423 E427L331-Q335 WeakPolarHBondContact O-CB 3.41Å; L331-Q335 PolarHBondContact O-N 2.88Å; N332-Q335 PolarHBondContact O-N 3.16Å; Q335-V338 PolarHBondContact O-N 3.25Å; Q335-R339 VanDerWaalsContact O-CB 3.26Å; Q335-R339 WeakPolarHBondContact O-CB 3.28Å; Q335-R339 PolarHBondContact O-N 2.94Å; Q335-V423 HydrophobicContact CG-CG1 4.01Å; Q335-E427 HydrophobicContact CG-CG 4.1Å; Q335-E427 WeakPolarHBondContact CG-OE1 3.02Å; Q335-E427 PolarHBondContact NE2-OE1 3.26Å
336E80.9Confident77.5Confident84 Ų8453.9 Ų53.939%0.39326%0.26SS..Hα-helixtrans-63.5-42.4174.9-75.3179.3171.900113.3N293 N332 Y334 N340N293-E336 WeakPolarHBondContact ND2-CB 3.4Å; N293-E336 PolarHBondContact ND2-OE2 3.49Å; N332-E336 WeakPolarHBondContact O-CG 3.25Å; N332-E336 PolarHBondContact O-N 2.81Å; Y334-E336 VanDerWaalsContact C-N 3.34Å; Y334-E336 PolarHBondContact O-N 2.65Å; E336-N340 VanDerWaalsContact O-CB 3.27Å; E336-N340 WeakPolarHBondContact O-CB 3.46Å; E336-N340 PolarHBondContact O-N 2.61Å; E336-N340 VanDerWaalsContact O-N 3.1Å
337F83.9Confident78.2Confident9 Ų950.7 Ų50.74%0.03925%0.245CC..Hα-helixtrans-60.1-47.9176177.5-87.2000111.7L292 I297 I333 Y334 N340 H341 L379 P382 M383L292-F337 WeakPolarHBondContact O-CD2 3.47Å; I297-F337 HydrophobicContact CD1-CB 3.76Å; I297-F337 HydrophobicContact CD1-CD2 3.84Å; I297-F337 HydrophobicContact CD1-CG 3.83Å; I333-F337 WeakPolarHBondContact O-CB 3.23Å; I333-F337 PolarHBondContact O-N 3Å; Y334-F337 PolarHBondContact O-N 3.02Å; F337-N340 PolarHBondContact O-N 2.7Å; F337-H341 PolarHBondContact O-N 2.78Å; F337-L379 VanDerWaalsContact CZ-O 3.3Å; F337-L379 WeakPolarHBondContact CZ-O 3.4Å; F337-P382 HydrophobicContact CD1-CB 4.35Å; F337-P382 HydrophobicContact CE1-CB 3.83Å; F337-P382 HydrophobicContact CE1-CG 4Å; F337-P382 HydrophobicContact CE2-CG 4.49Å; F337-P382 HydrophobicContact CZ-CB 4.13Å; F337-P382 HydrophobicContact CZ-CG 3.79Å; F337-M383 HydrophobicContact CE1-CG 4.41Å
338V81.5Confident79.1Confident4 Ų450.1 Ų50.12%0.02424%0.242CC..Hα-helixtrans-65.7-47.9-177.8168.30000111.5Y334 Q335 N340 H341 M383 M424 E427 V428Y334-V338 WeakPolarHBondContact O-CB 3.47Å; Y334-V338 VanDerWaalsContact O-CG2 3.3Å; Y334-V338 WeakPolarHBondContact O-CG2 3.23Å; Y334-V338 PolarHBondContact O-N 3.39Å; Q335-V338 PolarHBondContact O-N 3.25Å; V338-N340 PolarHBondContact O-N 2.78Å; V338-H341 VanDerWaalsContact O-CB 3.31Å; V338-H341 WeakPolarHBondContact O-CB 3.33Å; V338-H341 PolarHBondContact O-N 2.89Å; V338-H341 VanDerWaalsContact O-N 3.09Å; V338-M383 HydrophobicContact CG1-CE 4.29Å; V338-M383 HydrophobicContact CG2-CG 4.25Å; V338-M424 HydrophobicContact CG1-CB 4.43Å; V338-M424 WeakPolarHBondContact CG1-O 3.36Å; V338-M424 HydrophobicContact CG2-CB 4.4Å; V338-M424 HydrophobicContact CG2-CE 3.89Å; V338-M424 HydrophobicContact CG2-CG 3.99Å; V338-M424 HydrophobicContact CG2-SD 4.38Å; V338-E427 HydrophobicContact CG1-CB 4.48Å; V338-V428 HydrophobicContact CG1-CG2 3.48Å; V338-V428 VanDerWaalsContact CG1-CG2 3.48Å
339R80.9Confident79.9Confident135 Ų13550.4 Ų50.451%0.50925%0.25SS..Hα-helixtrans-59.1-31175.9-173.4177.461.1100.41.6112.6Q335 E427Q335-R339 VanDerWaalsContact O-CB 3.26Å; Q335-R339 WeakPolarHBondContact O-CB 3.28Å; Q335-R339 PolarHBondContact O-N 2.94Å; R339-E427 WeakPolarHBondContact CD-OE2 3.4Å; R339-E427 VanDerWaalsContact CG-OE2 3.32Å; R339-E427 WeakPolarHBondContact CG-OE2 2.98Å
340N85Confident80.9Confident29 Ų2950.6 Ų50.616%0.15525%0.247CC..Hα-helixtrans-88-17.1177.4-167.373.5000113.9S289 L292 E336 F337 V338 Q342 Y343 S344S289-N340 PolarHBondContact O-ND2 2.58Å; L292-N340 WeakPolarHBondContact CB-ND2 3.33Å; L292-N340 HydrophobicContact CD2-CB 3.68Å; E336-N340 VanDerWaalsContact O-CB 3.27Å; E336-N340 WeakPolarHBondContact O-CB 3.46Å; E336-N340 PolarHBondContact O-N 2.61Å; E336-N340 VanDerWaalsContact O-N 3.1Å; F337-N340 PolarHBondContact O-N 2.7Å; V338-N340 PolarHBondContact O-N 2.78Å; N340-Q342 PolarHBondContact O-N 3.31Å; N340-Y343 CarbonylContact O-C 3.55Å; N340-Y343 WeakPolarHBondContact O-CA 3.43Å; N340-Y343 WeakPolarHBondContact O-CB 3.22Å; N340-Y343 PolarHBondContact O-N 3.07Å; N340-S344 PolarHBondContact ND2-OG 3.41Å; N340-S344 PolarHBondContact O-N 2.86Å; N340-S344 PolarHBondContact O-OG 3.39Å
341H83.6Confident82Confident18 Ų1850.9 Ų50.98%0.08325%0.249CC..Hα-helixtrans-54.8-45.5-169.2-179.877000113.6F337 V338 Y343 S344 L345 L379F337-H341 PolarHBondContact O-N 2.78Å; V338-H341 VanDerWaalsContact O-CB 3.31Å; V338-H341 WeakPolarHBondContact O-CB 3.33Å; V338-H341 PolarHBondContact O-N 2.89Å; V338-H341 VanDerWaalsContact O-N 3.09Å; H341-Y343 VanDerWaalsContact C-N 3.31Å; H341-Y343 PolarHBondContact O-N 3.33Å; H341-S344 WeakPolarHBondContact O-CB 3.25Å; H341-S344 PolarHBondContact O-N 3.12Å; H341-L345 PolarHBondContact O-N 3.07Å; H341-L379 PolarHBondContact CE1-O 2.82Å; H341-L379 PolarHBondContact ND1-O 3.32Å
342Q76.2Confident83Confident91 Ų9151.2 Ų51.243%0.42525%0.249SC..Hα-helixtrans-67.5-32.2179.2-168.966.1-000112.4N340 Q346 T431N340-Q342 PolarHBondContact O-N 3.31Å; Q342-Q346 PolarHBondContact O-N 2.98Å; Q342-Q346 VanDerWaalsContact O-N 3.13Å; Q342-T431 HydrophobicContact CB-CG2 4.13Å
343Y82.3Confident83.6Confident123 Ų12353 Ų5348%0.48225%0.254SS..Hα-helixtrans-70.9-41.5172.8-178.2-112.9000111.3N340 H341 L345 Q346 V347N340-Y343 CarbonylContact O-C 3.55Å; N340-Y343 WeakPolarHBondContact O-CA 3.43Å; N340-Y343 WeakPolarHBondContact O-CB 3.22Å; N340-Y343 PolarHBondContact O-N 3.07Å; H341-Y343 VanDerWaalsContact C-N 3.31Å; H341-Y343 PolarHBondContact O-N 3.33Å; Y343-L345 VanDerWaalsContact C-N 3.31Å; Y343-L345 PolarHBondContact O-N 3.46Å; Y343-Q346 PolarHBondContact O-N 3.45Å; Y343-Q346 VanDerWaalsContact O-N 3.09Å; Y343-V347 HydrophobicContact CD1-CG2 4.15Å; Y343-V347 HydrophobicContact CD2-CG2 4.22Å; Y343-V347 HydrophobicContact CE1-CG2 3.77Å; Y343-V347 HydrophobicContact CE2-CG2 3.85Å; Y343-V347 HydrophobicContact CG-CG2 4.36Å; Y343-V347 WeakPolarHBondContact O-CG2 3.38Å; Y343-V347 PolarHBondContact O-N 3.48Å
344S85.6Confident83.9Confident6 Ų654.4 Ų54.44%0.04226%0.262CS..Hα-helixtrans-54.5-45.6172.6-59.20000112.2S289 I290 N340 H341 V347 L348S289-S344 PolarHBondContact O-OG 3.18Å; I290-S344 WeakPolarHBondContact O-CB 3.49Å; I290-S344 PolarHBondContact O-OG 3.46Å; N340-S344 PolarHBondContact ND2-OG 3.41Å; N340-S344 PolarHBondContact O-N 2.86Å; N340-S344 PolarHBondContact O-OG 3.39Å; H341-S344 WeakPolarHBondContact O-CB 3.25Å; H341-S344 PolarHBondContact O-N 3.12Å; S344-V347 PolarHBondContact O-N 2.91Å; S344-L348 VanDerWaalsContact O-CB 3.27Å; S344-L348 WeakPolarHBondContact O-CB 3.44Å; S344-L348 PolarHBondContact O-N 3.19Å
345L84.4Confident84.3Confident41 Ų4163.7 Ų63.722%0.21530%0.297CS..Hα-helixtrans-65.3-37.6176.1-66.4179.8000112.4H341 Y343 A349 E376 L379H341-L345 PolarHBondContact O-N 3.07Å; Y343-L345 VanDerWaalsContact C-N 3.31Å; Y343-L345 PolarHBondContact O-N 3.46Å; L345-A349 WeakPolarHBondContact O-CB 3.46Å; L345-A349 PolarHBondContact O-N 3.23Å; L345-E376 HydrophobicContact CD2-CB 4.01Å; L345-E376 HydrophobicContact CD2-CG 3.75Å; L345-L379 HydrophobicContact CD2-CD1 4.26Å
346Q82.8Confident84.7Confident118 Ų11865.3 Ų65.355%0.55131%0.307SS*.Hα-helixtrans-68.1-43.5176.6-171.9179.41.700112.5Q342 Y343 A349 N350Q342-Q346 PolarHBondContact O-N 2.98Å; Q342-Q346 VanDerWaalsContact O-N 3.13Å; Y343-Q346 PolarHBondContact O-N 3.45Å; Y343-Q346 VanDerWaalsContact O-N 3.09Å; Q346-A349 PolarHBondContact O-N 3.44Å; Q346-N350 PolarHBondContact O-N 3.1Å; Q346-N350 PolarHBondContact O-ND2 3.08Å
347V87.1Confident85.2Confident9 Ų961.3 Ų61.36%0.05529%0.289CS..Hα-helixtrans-63.5-43.2175.3175.80000110.1D286 I290 Y343 S344 A349 N350 C351D286-V347 HydrophobicContact CB-CG1 3.96Å; I290-V347 HydrophobicContact CD1-CG1 4.05Å; I290-V347 HydrophobicContact CG1-CB 4.09Å; I290-V347 HydrophobicContact CG1-CG1 3.82Å; Y343-V347 HydrophobicContact CD1-CG2 4.15Å; Y343-V347 HydrophobicContact CD2-CG2 4.22Å; Y343-V347 HydrophobicContact CE1-CG2 3.77Å; Y343-V347 HydrophobicContact CE2-CG2 3.85Å; Y343-V347 HydrophobicContact CG-CG2 4.36Å; Y343-V347 WeakPolarHBondContact O-CG2 3.38Å; Y343-V347 PolarHBondContact O-N 3.48Å; S344-V347 PolarHBondContact O-N 2.91Å; V347-A349 PolarHBondContact O-N 3.08Å; V347-N350 PolarHBondContact O-N 3.21Å; V347-C351 PolarHBondContact O-N 3.08Å; V347-C351 PolarHBondContact O-SG 3.01Å
348L87.6Confident85.4Confident0 Ų062.9 Ų62.90%030%0.297CS..Hα-helixtrans-60.2-43.4174.5178.858.6000112.4I290 S344 N350 C351 K352 F357 L361 L375 E376 L379I290-L348 HydrophobicContact CD1-CB 4.1Å; I290-L348 HydrophobicContact CD1-CD1 4.28Å; I290-L348 HydrophobicContact CG1-CB 4.23Å; S344-L348 VanDerWaalsContact O-CB 3.27Å; S344-L348 WeakPolarHBondContact O-CB 3.44Å; S344-L348 PolarHBondContact O-N 3.19Å; L348-N350 VanDerWaalsContact C-N 3.33Å; L348-N350 PolarHBondContact O-N 2.88Å; L348-C351 PolarHBondContact O-N 3.12Å; L348-K352 WeakPolarHBondContact O-CG 3.37Å; L348-K352 PolarHBondContact O-N 3.42Å; L348-F357 HydrophobicContact CD1-CE1 3.94Å; L348-F357 HydrophobicContact CD1-CZ 3.91Å; L348-L361 HydrophobicContact CD1-CD2 3.8Å; L348-L375 HydrophobicContact CD1-CD2 3.93Å; L348-L375 HydrophobicContact CD2-CB 4.42Å; L348-L375 HydrophobicContact CD2-CD2 3.98Å; L348-L375 HydrophobicContact CD2-CG 4.02Å; L348-E376 HydrophobicContact CD2-CG 3.95Å; L348-L379 HydrophobicContact CD2-CD1 4.18Å
349A85.5Confident85.7Confident51 Ų5168 Ų6842%0.42132%0.319SS..Hα-helixtrans-64.8-34.4176.200000112.8L345 Q346 V347L345-A349 WeakPolarHBondContact O-CB 3.46Å; L345-A349 PolarHBondContact O-N 3.23Å; Q346-A349 PolarHBondContact O-N 3.44Å; V347-A349 PolarHBondContact O-N 3.08Å
350N86Confident86.1Confident89 Ų8963.2 Ų63.248%0.47630%0.304SS..Hα-helixtrans-68.3-44171.1-70.6-21.4000111.5Q346 V347 L348 K352 Q353Q346-N350 PolarHBondContact O-N 3.1Å; Q346-N350 PolarHBondContact O-ND2 3.08Å; V347-N350 PolarHBondContact O-N 3.21Å; L348-N350 VanDerWaalsContact C-N 3.33Å; L348-N350 PolarHBondContact O-N 2.88Å; N350-K352 VanDerWaalsContact C-N 3.3Å; N350-K352 PolarHBondContact O-N 3.31Å; N350-Q353 VanDerWaalsContact O-CB 3.27Å; N350-Q353 WeakPolarHBondContact O-CB 3.32Å; N350-Q353 WeakPolarHBondContact O-CG 3.43Å; N350-Q353 PolarHBondContact O-N 3.47Å; N350-Q353 PolarHBondContact OD1-NE2 3.11Å
351C88.6Confident86.3Confident13 Ų1361.9 Ų61.99%0.08830%0.296CS..Hα-helixtrans-60.2-38.3176.1-65.50000112I282 V347 L348 Q353 N354 F357I282-C351 HydrophobicContact CD1-CB 4.31Å; V347-C351 PolarHBondContact O-N 3.08Å; V347-C351 PolarHBondContact O-SG 3.01Å; L348-C351 PolarHBondContact O-N 3.12Å; C351-Q353 PolarHBondContact O-N 3.46Å; C351-Q353 VanDerWaalsContact O-N 3.1Å; C351-N354 WeakPolarHBondContact O-CB 3.28Å; C351-N354 PolarHBondContact O-N 2.77Å; C351-F357 HydrophobicContact CB-CD1 3.67Å; C351-F357 HydrophobicContact CB-CD2 4.49Å; C351-F357 HydrophobicContact CB-CE1 3.48Å; C351-F357 VanDerWaalsContact CB-CE1 3.48Å; C351-F357 HydrophobicContact CB-CE2 4.33Å; C351-F357 HydrophobicContact CB-CG 4.17Å; C351-F357 HydrophobicContact CB-CZ 3.83Å; C351-F357 VanDerWaalsContact O-CD1 3.25Å; C351-F357 WeakPolarHBondContact O-CD1 3.36Å
352K86.8Confident86.5Confident50 Ų5066.4 Ų66.422%0.21732%0.316CS..THydrogen-bonded Turntrans-61.8-11.9174.3-75.6-174.9177.3-176.10114.2L348 N350 N354 F357 L361 E376L348-K352 WeakPolarHBondContact O-CG 3.37Å; L348-K352 PolarHBondContact O-N 3.42Å; N350-K352 VanDerWaalsContact C-N 3.3Å; N350-K352 PolarHBondContact O-N 3.31Å; K352-N354 VanDerWaalsContact C-N 3.34Å; K352-F357 HydrophobicContact CG-CD1 4.46Å; K352-F357 HydrophobicContact CG-CE1 4.15Å; K352-L361 HydrophobicContact CD-CD2 4.37Å; K352-L361 HydrophobicContact CG-CD2 4.2Å; K352-E376 IonicContact NZ-OE1 3.86Å; K352-E376 PolarHBondContact NZ-OE1 3.38Å; K352-E376 IonicContact NZ-OE2 3.58Å; K352-E376 PolarHBondContact NZ-OE2 2.94Å
353Q87.1Confident87Confident147 Ų14768.2 Ų68.269%0.68732%0.324SS*.THydrogen-bonded Turntrans-74.8-23.5170.3-56.3177.429.100112.4N350 C351 R355N350-Q353 VanDerWaalsContact O-CB 3.27Å; N350-Q353 WeakPolarHBondContact O-CB 3.32Å; N350-Q353 WeakPolarHBondContact O-CG 3.43Å; N350-Q353 PolarHBondContact O-N 3.47Å; N350-Q353 PolarHBondContact OD1-NE2 3.11Å; C351-Q353 PolarHBondContact O-N 3.46Å; C351-Q353 VanDerWaalsContact O-N 3.1Å; Q353-R355 PolarHBondContact O-N 3.34Å
354N89.3Confident87.2Confident64 Ų6464.9 Ų64.934%0.34231%0.311SS..SBendtrans-76.4113.3172179.22.4000110.1P281 C351 K352 D356 F357 D358P281-N354 PolarHBondContact O-ND2 2.8Å; C351-N354 WeakPolarHBondContact O-CB 3.28Å; C351-N354 PolarHBondContact O-N 2.77Å; K352-N354 VanDerWaalsContact C-N 3.34Å; N354-D356 PolarHBondContact O-N 2.82Å; N354-D356 VanDerWaalsContact O-N 3.09Å; N354-D356 PolarHBondContact OD1-N 3.04Å; N354-D356 VanDerWaalsContact OD1-N 3.09Å; N354-F357 HydrophobicContact CB-CB 4.03Å; N354-F357 PolarHBondContact O-N 3.43Å; N354-F357 VanDerWaalsContact O-N 3.09Å; N354-D358 PolarHBondContact O-N 3.48Å
355R87.6Confident87.2Confident195 Ų19566 Ų6674%0.73632%0.316SS*.Hα-helixtrans-58.4-22.7-178.8-68.5-174.269.5-163.92.8114.8Q353 K359Q353-R355 PolarHBondContact O-N 3.34Å; R355-K359 WeakPolarHBondContact O-CD 3.23Å; R355-K359 VanDerWaalsContact O-CE 3.3Å; R355-K359 WeakPolarHBondContact O-CE 3.39Å; R355-K359 VanDerWaalsContact O-CG 3.23Å; R355-K359 WeakPolarHBondContact O-CG 3.49Å
356D85.8Confident87.2Confident96 Ų9668.3 Ų68.351%0.51334%0.336SS..Hα-helixtrans-90.9-27.3178.7-67-29.7000112.3N354 K359 L360N354-D356 PolarHBondContact O-N 2.82Å; N354-D356 VanDerWaalsContact O-N 3.09Å; N354-D356 PolarHBondContact OD1-N 3.04Å; N354-D356 VanDerWaalsContact OD1-N 3.09Å; D356-K359 IonicContact OD1-NZ 3.18Å; D356-K359 PolarHBondContact OD1-NZ 3.37Å; D356-L360 PolarHBondContact O-N 3.46Å
357F91.1Very high87.2Confident0 Ų066.2 Ų66.20%033%0.328CS..Hα-helixtrans-71.2-45.3167177.5-95.4000111.7L271 P281 I282 L348 C351 K352 N354 K359 L360 L361L271-F357 HydrophobicContact CD1-CE2 4.5Å; L271-F357 HydrophobicContact CD2-CD2 4.45Å; L271-F357 HydrophobicContact CD2-CE2 3.81Å; P281-F357 HydrophobicContact CB-CB 4.26Å; I282-F357 HydrophobicContact CB-CD2 3.76Å; I282-F357 HydrophobicContact CB-CE2 3.94Å; I282-F357 HydrophobicContact CD1-CD2 4.15Å; I282-F357 HydrophobicContact CD1-CE2 3.47Å; I282-F357 VanDerWaalsContact CD1-CE2 3.47Å; I282-F357 HydrophobicContact CD1-CZ 3.98Å; I282-F357 HydrophobicContact CG1-CD2 4.47Å; I282-F357 HydrophobicContact CG1-CE2 4.24Å; I282-F357 HydrophobicContact CG2-CD2 4.08Å; I282-F357 HydrophobicContact CG2-CE2 4.1Å; L348-F357 HydrophobicContact CD1-CE1 3.94Å; L348-F357 HydrophobicContact CD1-CZ 3.91Å; C351-F357 HydrophobicContact CB-CD1 3.67Å; C351-F357 HydrophobicContact CB-CD2 4.49Å; C351-F357 HydrophobicContact CB-CE1 3.48Å; C351-F357 VanDerWaalsContact CB-CE1 3.48Å; C351-F357 HydrophobicContact CB-CE2 4.33Å; C351-F357 HydrophobicContact CB-CG 4.17Å; C351-F357 HydrophobicContact CB-CZ 3.83Å; C351-F357 VanDerWaalsContact O-CD1 3.25Å; C351-F357 WeakPolarHBondContact O-CD1 3.36Å; K352-F357 HydrophobicContact CG-CD1 4.46Å; K352-F357 HydrophobicContact CG-CE1 4.15Å; N354-F357 HydrophobicContact CB-CB 4.03Å; N354-F357 PolarHBondContact O-N 3.43Å; N354-F357 VanDerWaalsContact O-N 3.09Å; F357-K359 VanDerWaalsContact C-N 3.31Å; F357-K359 PolarHBondContact O-N 3.27Å; F357-L360 PolarHBondContact O-N 2.77Å; F357-L361 HydrophobicContact CE1-CB 4.31Å; F357-L361 HydrophobicContact CE1-CD2 3.67Å; F357-L361 HydrophobicContact CZ-CD2 3.97Å; F357-L361 WeakPolarHBondContact O-CB 3.36Å; F357-L361 PolarHBondContact O-N 2.83Å
358D88.8Confident86.5Confident41 Ų4170.2 Ų70.222%0.21936%0.362CS..Hα-helixtrans-56.9-41.5179.1176.666.2000112.5N354 K362N354-D358 PolarHBondContact O-N 3.48Å; D358-K362 WeakPolarHBondContact O-CB 3.28Å; D358-K362 WeakPolarHBondContact O-CD 3.41Å; D358-K362 VanDerWaalsContact O-CG 3.3Å; D358-K362 WeakPolarHBondContact O-CG 3.48Å; D358-K362 PolarHBondContact O-N 2.97Å; D358-K362 WeakPolarHBondContact OD1-CE 3.41Å; D358-K362 IonicContact OD1-NZ 2.79Å; D358-K362 PolarHBondContact OD1-NZ 2.8Å; D358-K362 IonicContact OD2-NZ 2.81Å; D358-K362 PolarHBondContact OD2-NZ 2.78Å
359K88.6Confident85.7Confident112 Ų11272.8 Ų72.849%0.48738%0.384SS..Hα-helixtrans-63.1-46.8172.3-69.6166.2-161.5160.40112.4R355 D356 F357 K362 Q363R355-K359 WeakPolarHBondContact O-CD 3.23Å; R355-K359 VanDerWaalsContact O-CE 3.3Å; R355-K359 WeakPolarHBondContact O-CE 3.39Å; R355-K359 VanDerWaalsContact O-CG 3.23Å; R355-K359 WeakPolarHBondContact O-CG 3.49Å; D356-K359 IonicContact OD1-NZ 3.18Å; D356-K359 PolarHBondContact OD1-NZ 3.37Å; F357-K359 VanDerWaalsContact C-N 3.31Å; F357-K359 PolarHBondContact O-N 3.27Å; K359-K362 PolarHBondContact O-N 3.32Å; K359-Q363 WeakPolarHBondContact O-CB 3.49Å; K359-Q363 PolarHBondContact O-N 3.31Å
360L88.9Confident84.9Confident34 Ų3470.4 Ų70.418%0.17836%0.364CS..Hα-helixtrans-64-43.2-177.3-175.667.8000111L271 A274 P281 D356 F357 Q363 Y364L271-L360 HydrophobicContact CD2-CD2 4.22Å; A274-L360 HydrophobicContact CB-CD2 3.92Å; P281-L360 HydrophobicContact CG-CD2 3.89Å; D356-L360 PolarHBondContact O-N 3.46Å; F357-L360 PolarHBondContact O-N 2.77Å; L360-Q363 WeakPolarHBondContact O-CB 3.37Å; L360-Q363 PolarHBondContact O-N 3.33Å; L360-Y364 HydrophobicContact CD1-CE1 4.03Å; L360-Y364 HydrophobicContact CD1-CE2 4.3Å; L360-Y364 HydrophobicContact CD2-CE2 4.28Å; L360-Y364 HydrophobicContact CG-CE1 4.46Å; L360-Y364 HydrophobicContact CG-CE2 3.9Å; L360-Y364 PolarHBondContact O-N 3.45Å; L360-Y364 VanDerWaalsContact O-N 3.08Å
361L88.8Confident84.1Confident1 Ų171.9 Ų71.91%0.00537%0.368CS..Hα-helixtrans-65.6-45.2177.2-178.353.8000111.3F267 L348 K352 F357 Q363 Y364 E365 L375F267-L361 HydrophobicContact CD1-CD1 3.88Å; F267-L361 HydrophobicContact CE1-CD1 3.88Å; L348-L361 HydrophobicContact CD1-CD2 3.8Å; K352-L361 HydrophobicContact CD-CD2 4.37Å; K352-L361 HydrophobicContact CG-CD2 4.2Å; F357-L361 HydrophobicContact CE1-CB 4.31Å; F357-L361 HydrophobicContact CE1-CD2 3.67Å; F357-L361 HydrophobicContact CZ-CD2 3.97Å; F357-L361 WeakPolarHBondContact O-CB 3.36Å; F357-L361 PolarHBondContact O-N 2.83Å; L361-Q363 VanDerWaalsContact C-N 3.25Å; L361-Q363 PolarHBondContact O-N 2.66Å; L361-Y364 CarbonylContact O-C 3Å; L361-Y364 PolarHBondContact O-N 2.86Å; L361-E365 HydrophobicContact CD1-CG 4.17Å; L361-E365 HydrophobicContact CG-CG 4.4Å; L361-E365 WeakPolarHBondContact O-CG 3.38Å; L361-E365 PolarHBondContact O-N 2.88Å; L361-L375 HydrophobicContact CD1-CB 4.08Å; L361-L375 HydrophobicContact CD1-CD2 3.8Å; L361-L375 HydrophobicContact CD2-CD2 4.38Å
362K87.8Confident83.2Confident113 Ų11374.8 Ų74.849%0.49140%0.4SS..Hα-helixtrans-61.4-32173.6-76.2166.9179.3158.80113.1D358 K359 S366D358-K362 WeakPolarHBondContact O-CB 3.28Å; D358-K362 WeakPolarHBondContact O-CD 3.41Å; D358-K362 VanDerWaalsContact O-CG 3.3Å; D358-K362 WeakPolarHBondContact O-CG 3.48Å; D358-K362 PolarHBondContact O-N 2.97Å; D358-K362 WeakPolarHBondContact OD1-CE 3.41Å; D358-K362 IonicContact OD1-NZ 2.79Å; D358-K362 PolarHBondContact OD1-NZ 2.8Å; D358-K362 IonicContact OD2-NZ 2.81Å; D358-K362 PolarHBondContact OD2-NZ 2.78Å; K359-K362 PolarHBondContact O-N 3.32Å; K362-S366 VanDerWaalsContact O-CB 3.29Å; K362-S366 WeakPolarHBondContact O-CB 3.28Å; K362-S366 PolarHBondContact O-N 2.91Å; K362-S366 PolarHBondContact O-OG 3.18Å
363Q87.4Confident82.9Confident129 Ų12974.4 Ų74.460%0.60340%0.397SS*.Hα-helixtrans-64.9-42.5171.8-174.8-179.6-5.600111.3K359 L360 L361 S366K359-Q363 WeakPolarHBondContact O-CB 3.49Å; K359-Q363 PolarHBondContact O-N 3.31Å; L360-Q363 WeakPolarHBondContact O-CB 3.37Å; L360-Q363 PolarHBondContact O-N 3.33Å; L361-Q363 VanDerWaalsContact C-N 3.25Å; L361-Q363 PolarHBondContact O-N 2.66Å; Q363-S366 PolarHBondContact O-N 3.06Å; Q363-S366 PolarHBondContact O-OG 2.83Å
364Y86.6Confident82.8Confident53 Ų5372.1 Ų72.121%0.20839%0.387CS..Hα-helixtrans-69.3-41.9175.6-60.1-21.5000112.5F267 P270 L271 L360 L361 S366 N367 C370F267-Y364 HydrophobicContact CD1-CD2 4.47Å; P270-Y364 HydrophobicContact CB-CE1 4.34Å; P270-Y364 HydrophobicContact CB-CE2 3.73Å; P270-Y364 WeakPolarHBondContact CB-OH 3.32Å; L271-Y364 HydrophobicContact CD2-CD2 4.39Å; L271-Y364 HydrophobicContact CD2-CE2 3.88Å; L271-Y364 HydrophobicContact CG-CE2 4.14Å; L360-Y364 HydrophobicContact CD1-CE1 4.03Å; L360-Y364 HydrophobicContact CD1-CE2 4.3Å; L360-Y364 HydrophobicContact CD2-CE2 4.28Å; L360-Y364 HydrophobicContact CG-CE1 4.46Å; L360-Y364 HydrophobicContact CG-CE2 3.9Å; L360-Y364 PolarHBondContact O-N 3.45Å; L360-Y364 VanDerWaalsContact O-N 3.08Å; L361-Y364 CarbonylContact O-C 3Å; L361-Y364 PolarHBondContact O-N 2.86Å; Y364-S366 PolarHBondContact O-N 3.46Å; Y364-N367 VanDerWaalsContact O-CB 3.26Å; Y364-N367 WeakPolarHBondContact O-CB 3.44Å; Y364-N367 PolarHBondContact O-N 3.04Å; Y364-C370 PolarHBondContact O-SG 3.22Å
365E85.5Confident82.6Confident29 Ų2969.1 Ų69.114%0.13637%0.371CS..Hα-helixtrans-64.6-24.2175-67.3175.814700112.8F267 L361 N367 M374 L375F267-E365 HydrophobicContact CE1-CG 3.91Å; F267-E365 HydrophobicContact CZ-CG 4.21Å; L361-E365 HydrophobicContact CD1-CG 4.17Å; L361-E365 HydrophobicContact CG-CG 4.4Å; L361-E365 WeakPolarHBondContact O-CG 3.38Å; L361-E365 PolarHBondContact O-N 2.88Å; E365-N367 VanDerWaalsContact C-N 3.25Å; E365-N367 PolarHBondContact O-N 3.47Å; E365-M374 WeakPolarHBondContact OE1-CA 3.45Å; E365-L375 PolarHBondContact OE1-N 3.48Å
366S84.1Confident82.4Confident91 Ų9162.4 Ų62.464%0.63635%0.348SS*.THydrogen-bonded Turntrans-76.7-3.3175.775.70000115.1K362 Q363 Y364 A368K362-S366 VanDerWaalsContact O-CB 3.29Å; K362-S366 WeakPolarHBondContact O-CB 3.28Å; K362-S366 PolarHBondContact O-N 2.91Å; K362-S366 PolarHBondContact O-OG 3.18Å; Q363-S366 PolarHBondContact O-N 3.06Å; Q363-S366 PolarHBondContact O-OG 2.83Å; Y364-S366 PolarHBondContact O-N 3.46Å; S366-A368 PolarHBondContact O-N 3.49Å
367N82.1Confident82.3Confident73 Ų7359.9 Ų59.939%0.3934%0.336SS..SBendtrans-63.6131.6173.9-179.1-10.9000110.1Y364 E365 A369 C370Y364-N367 VanDerWaalsContact O-CB 3.26Å; Y364-N367 WeakPolarHBondContact O-CB 3.44Å; Y364-N367 PolarHBondContact O-N 3.04Å; E365-N367 VanDerWaalsContact C-N 3.25Å; E365-N367 PolarHBondContact O-N 3.47Å; N367-A369 PolarHBondContact O-N 3.31Å; N367-A369 VanDerWaalsContact O-N 3.11Å; N367-A369 PolarHBondContact OD1-N 3.14Å; N367-A369 VanDerWaalsContact OD1-N 3.1Å; N367-C370 VanDerWaalsContact O-CB 3.22Å; N367-C370 WeakPolarHBondContact O-CB 3.42Å; N367-C370 PolarHBondContact O-N 2.58Å
368A73.5Confident81.8Confident93 Ų9360 Ų6077%0.76934%0.337SS*.G310 helixtrans-55.3-32.8-179.500000113.1S366 C370 E371S366-A368 PolarHBondContact O-N 3.49Å; A368-C370 PolarHBondContact O-N 3.44Å; A368-E371 PolarHBondContact O-N 3.38Å; A368-E371 VanDerWaalsContact O-N 3.13Å
369A69.6Low81.6Confident55 Ų5558.4 Ų58.446%0.45533%0.328SS..G310 helixtrans-70.9-9.1176.800000114.5F262 N367 E371F262-A369 HydrophobicContact CE2-CB 3.5Å; F262-A369 HydrophobicContact CZ-CB 3.84Å; N367-A369 PolarHBondContact O-N 3.31Å; N367-A369 VanDerWaalsContact O-N 3.11Å; N367-A369 PolarHBondContact OD1-N 3.14Å; N367-A369 VanDerWaalsContact OD1-N 3.1Å; A369-E371 VanDerWaalsContact C-N 3.27Å
370C68.6Low81.1Confident0 Ų054.8 Ų54.80%032%0.316CS..G310 helixtrans-74.2-17.5169.1-64.90000112.8F262 Y364 N367 A368 G372 R373 F378F262-C370 HydrophobicContact CE1-CB 4.39Å; F262-C370 VanDerWaalsContact CE1-SG 3.5Å; Y364-C370 PolarHBondContact O-SG 3.22Å; N367-C370 VanDerWaalsContact O-CB 3.22Å; N367-C370 WeakPolarHBondContact O-CB 3.42Å; N367-C370 PolarHBondContact O-N 2.58Å; A368-C370 PolarHBondContact O-N 3.44Å; C370-G372 PolarHBondContact O-N 2.84Å; C370-G372 VanDerWaalsContact O-N 3.12Å; C370-R373 WeakPolarHBondContact O-CB 3.33Å; C370-R373 PolarHBondContact O-N 3.26Å; C370-F378 HydrophobicContact CB-CE2 4.48Å
371E69.6Low80.6Confident121 Ų12155.9 Ų55.957%0.56532%0.318SS*.THydrogen-bonded Turntrans51.730.1-172.7-56.7-174.9145.900113.4A368 A369 R373A368-E371 PolarHBondContact O-N 3.38Å; A368-E371 VanDerWaalsContact O-N 3.13Å; A369-E371 VanDerWaalsContact C-N 3.27Å; E371-R373 VanDerWaalsContact C-N 3.29Å; E371-R373 PolarHBondContact O-N 3Å; E371-R373 IonicContact OE2-CZ 3.48Å; E371-R373 IonicContact OE2-NH1 2.67Å; E371-R373 PolarHBondContact OE2-NH1 2.93Å; E371-R373 IonicContact OE2-NH2 2.7Å; E371-R373 PolarHBondContact OE2-NH2 3.31Å
372G70.8Confident80.1Confident73 Ų7356 Ų5675%0.75332%0.319SS*.THydrogen-bonded Turntrans74.78.2-177.100000115.6C370C370-G372 PolarHBondContact O-N 2.84Å; C370-G372 VanDerWaalsContact O-N 3.12Å
373R79.5Confident79.5Confident43 Ų4352.6 Ų52.616%0.16231%0.305CS..  trans-78.7141.4175.3-64.5-175.8-77.1-93.13.6111.6C370 E371 F378 Y381C370-R373 WeakPolarHBondContact O-CB 3.33Å; C370-R373 PolarHBondContact O-N 3.26Å; E371-R373 VanDerWaalsContact C-N 3.29Å; E371-R373 PolarHBondContact O-N 3Å; E371-R373 IonicContact OE2-CZ 3.48Å; E371-R373 IonicContact OE2-NH1 2.67Å; E371-R373 PolarHBondContact OE2-NH1 2.93Å; E371-R373 IonicContact OE2-NH2 2.7Å; E371-R373 PolarHBondContact OE2-NH2 3.31Å; R373-F378 HydrophobicContact CB-CD2 4.37Å; R373-F378 HydrophobicContact CB-CE2 3.66Å; R373-F378 HydrophobicContact CB-CZ 4.01Å; R373-Y381 VanDerWaalsContact CD-OH 3.23Å; R373-Y381 WeakPolarHBondContact CD-OH 3.38Å
374M84.8Confident79.1Confident99 Ų9952.8 Ų52.849%0.48830%0.304SS..  trans-83.7159.1177-60.6-178.1-59.900111.5E365 E376 T377 F378E365-M374 WeakPolarHBondContact OE1-CA 3.45Å; M374-E376 VanDerWaalsContact C-N 3.26Å; M374-E376 PolarHBondContact O-N 3.03Å; M374-T377 WeakPolarHBondContact O-CB 3.46Å; M374-T377 PolarHBondContact O-N 2.78Å; M374-T377 PolarHBondContact O-OG1 3.04Å; M374-F378 VanDerWaalsContact O-CD2 3.27Å; M374-F378 WeakPolarHBondContact O-CD2 3.36Å; M374-F378 PolarHBondContact O-N 3.06Å
375L85.3Confident78.8Confident0 Ų050.6 Ų50.60%030%0.296CS..Hα-helixtrans-56.5-38.6177.417657.5000112.6F267 F291 L348 L361 E365 T377 F378 L379F267-L375 HydrophobicContact CB-CD1 4.03Å; F267-L375 HydrophobicContact CD1-CB 4.41Å; F267-L375 HydrophobicContact CD1-CD1 4.08Å; F267-L375 HydrophobicContact CD1-CD2 4.31Å; F267-L375 HydrophobicContact CD2-CD1 4.19Å; F267-L375 HydrophobicContact CE1-CB 4.28Å; F267-L375 HydrophobicContact CG-CD1 3.86Å; F291-L375 HydrophobicContact CE1-CD1 3.86Å; F291-L375 HydrophobicContact CZ-CD1 3.77Å; F291-L375 HydrophobicContact CZ-CD2 3.92Å; F291-L375 HydrophobicContact CZ-CG 4.45Å; L348-L375 HydrophobicContact CD1-CD2 3.93Å; L348-L375 HydrophobicContact CD2-CB 4.42Å; L348-L375 HydrophobicContact CD2-CD2 3.98Å; L348-L375 HydrophobicContact CD2-CG 4.02Å; L361-L375 HydrophobicContact CD1-CB 4.08Å; L361-L375 HydrophobicContact CD1-CD2 3.8Å; L361-L375 HydrophobicContact CD2-CD2 4.38Å; E365-L375 PolarHBondContact OE1-N 3.48Å; L375-T377 PolarHBondContact O-N 3.05Å; L375-F378 WeakPolarHBondContact O-CB 3.43Å; L375-F378 PolarHBondContact O-N 2.95Å; L375-F378 VanDerWaalsContact O-N 3.11Å; L375-L379 HydrophobicContact CD1-CG 4.33Å; L375-L379 HydrophobicContact CG-CD1 4.4Å; L375-L379 PolarHBondContact O-N 3.27Å
376E84.3Confident78.6Confident55 Ų5549.5 Ų49.526%0.25729%0.291SS..Hα-helixtrans-53.2-42.1173.2-71.292.1140.600112.2L345 L348 K352 M374 L379 T380L345-E376 HydrophobicContact CD2-CB 4.01Å; L345-E376 HydrophobicContact CD2-CG 3.75Å; L348-E376 HydrophobicContact CD2-CG 3.95Å; K352-E376 IonicContact NZ-OE1 3.86Å; K352-E376 PolarHBondContact NZ-OE1 3.38Å; K352-E376 IonicContact NZ-OE2 3.58Å; K352-E376 PolarHBondContact NZ-OE2 2.94Å; M374-E376 VanDerWaalsContact C-N 3.26Å; M374-E376 PolarHBondContact O-N 3.03Å; E376-L379 PolarHBondContact O-N 2.79Å; E376-T380 PolarHBondContact O-N 3.36Å
377T82.8Confident78.4Confident43 Ų4347.3 Ų47.326%0.26427%0.274SS..Hα-helixtrans-63.7-48.5177.5-35.30000109.9M374 L375 L379 T380 Y381M374-T377 WeakPolarHBondContact O-CB 3.46Å; M374-T377 PolarHBondContact O-N 2.78Å; M374-T377 PolarHBondContact O-OG1 3.04Å; L375-T377 PolarHBondContact O-N 3.05Å; T377-L379 PolarHBondContact O-N 2.94Å; T377-T380 PolarHBondContact O-N 3.22Å; T377-T380 PolarHBondContact O-OG1 3.1Å; T377-Y381 HydrophobicContact CG2-CE2 3.62Å; T377-Y381 WeakPolarHBondContact O-CD2 3.35Å; T377-Y381 VanDerWaalsContact O-CE2 3.32Å; T377-Y381 WeakPolarHBondContact O-CE2 3.26Å
378F81.2Confident78.5Confident3 Ų348.6 Ų48.61%0.01327%0.274CS..Hα-helixtrans-56.5-34.1177.2-73-79.1000112.9I259 F262 F267 C370 R373 M374 L375 T380I259-F378 HydrophobicContact CB-CD1 4.11Å; I259-F378 HydrophobicContact CG1-CD1 3.5Å; I259-F378 VanDerWaalsContact CG1-CD1 3.5Å; I259-F378 HydrophobicContact CG1-CE1 3.98Å; I259-F378 HydrophobicContact CG1-CG 4.48Å; I259-F378 HydrophobicContact CG2-CB 4.33Å; I259-F378 HydrophobicContact CG2-CD1 4.08Å; I259-F378 WeakPolarHBondContact CG2-O 3.48Å; F262-F378 HydrophobicContact CD1-CD1 4.26Å; F262-F378 AromaticContact CD1-CE1 3.63Å; F262-F378 HydrophobicContact CD1-CE1 3.63Å; F262-F378 HydrophobicContact CD1-CE2 4.49Å; F262-F378 AromaticContact CD1-CZ 3.77Å; F262-F378 HydrophobicContact CD1-CZ 3.77Å; F262-F378 HydrophobicContact CE1-CE1 4.22Å; F262-F378 HydrophobicContact CE1-CE2 4.41Å; F262-F378 AromaticContact CE1-CZ 3.88Å; F262-F378 HydrophobicContact CE1-CZ 3.88Å; F262-F378 HydrophobicContact CG-CE1 4.48Å; F267-F378 HydrophobicContact CE2-CD2 4.04Å; F267-F378 HydrophobicContact CE2-CE2 4.15Å; F267-F378 HydrophobicContact CZ-CD2 4.42Å; F267-F378 HydrophobicContact CZ-CE2 4.43Å; C370-F378 HydrophobicContact CB-CE2 4.48Å; R373-F378 HydrophobicContact CB-CD2 4.37Å; R373-F378 HydrophobicContact CB-CE2 3.66Å; R373-F378 HydrophobicContact CB-CZ 4.01Å; M374-F378 VanDerWaalsContact O-CD2 3.27Å; M374-F378 WeakPolarHBondContact O-CD2 3.36Å; M374-F378 PolarHBondContact O-N 3.06Å; L375-F378 WeakPolarHBondContact O-CB 3.43Å; L375-F378 PolarHBondContact O-N 2.95Å; L375-F378 VanDerWaalsContact O-N 3.11Å; F378-T380 VanDerWaalsContact C-N 3.31Å; F378-T380 PolarHBondContact O-N 3.38Å
379L83.2Confident79.1Confident6 Ų644.4 Ų44.43%0.03124%0.238CC..Hα-helixtrans-71.3-19176.3-65.9172.3000114I290 F291 F337 H341 L345 L348 L375 E376 T377I290-L379 HydrophobicContact CG2-CD1 3.94Å; F291-L379 HydrophobicContact CD1-CD2 4.1Å; F291-L379 HydrophobicContact CE1-CD2 4.19Å; F337-L379 VanDerWaalsContact CZ-O 3.3Å; F337-L379 WeakPolarHBondContact CZ-O 3.4Å; H341-L379 PolarHBondContact CE1-O 2.82Å; H341-L379 PolarHBondContact ND1-O 3.32Å; L345-L379 HydrophobicContact CD2-CD1 4.26Å; L348-L379 HydrophobicContact CD2-CD1 4.18Å; L375-L379 HydrophobicContact CD1-CG 4.33Å; L375-L379 HydrophobicContact CG-CD1 4.4Å; L375-L379 PolarHBondContact O-N 3.27Å; E376-L379 PolarHBondContact O-N 2.79Å; T377-L379 PolarHBondContact O-N 2.94Å
380T78.9Confident79.8Confident37 Ų3742.7 Ų42.723%0.22722%0.221CC..Hα-helixtrans-83.9-32.1-179.462.10000114.4E376 T377 F378 M383E376-T380 PolarHBondContact O-N 3.36Å; T377-T380 PolarHBondContact O-N 3.22Å; T377-T380 PolarHBondContact O-OG1 3.1Å; F378-T380 VanDerWaalsContact C-N 3.31Å; F378-T380 PolarHBondContact O-N 3.38Å; T380-M383 VanDerWaalsContact O-CB 3.26Å; T380-M383 WeakPolarHBondContact O-CB 3.46Å; T380-M383 WeakPolarHBondContact O-CG 3.26Å; T380-M383 PolarHBondContact O-N 2.98Å
381Y77.8Confident80.7Confident57 Ų5748 Ų4822%0.22425%0.248CC..THydrogen-bonded Turntrans-61.8-29-166.7-69.4-92.6000117.2I259 R373 T377 M383 F384I259-Y381 HydrophobicContact CB-CD2 4.4Å; I259-Y381 HydrophobicContact CD1-CD1 3.47Å; I259-Y381 VanDerWaalsContact CD1-CD1 3.47Å; I259-Y381 HydrophobicContact CD1-CD2 3.26Å; I259-Y381 HydrophobicContact CD1-CE1 3.76Å; I259-Y381 HydrophobicContact CD1-CE2 3.53Å; I259-Y381 HydrophobicContact CD1-CG 3.17Å; I259-Y381 HydrophobicContact CG1-CD1 4.42Å; I259-Y381 HydrophobicContact CG1-CD2 3.32Å; I259-Y381 HydrophobicContact CG1-CE2 3.76Å; I259-Y381 HydrophobicContact CG1-CG 3.66Å; R373-Y381 VanDerWaalsContact CD-OH 3.23Å; R373-Y381 WeakPolarHBondContact CD-OH 3.38Å; T377-Y381 HydrophobicContact CG2-CE2 3.62Å; T377-Y381 WeakPolarHBondContact O-CD2 3.35Å; T377-Y381 VanDerWaalsContact O-CE2 3.32Å; T377-Y381 WeakPolarHBondContact O-CE2 3.26Å; Y381-M383 PolarHBondContact O-N 3.46Å; Y381-F384 PolarHBondContact O-N 3.36Å; Y381-F384 VanDerWaalsContact O-N 3.09Å
382P78.6Confident81.5Confident3 Ų343.4 Ų43.42%0.01923%0.228CC..Hα-helixtrans-54.3-33.7171.1-27.937.6000112.7L260 Y334 F337 F384 Q385L260-P382 HydrophobicContact CD2-CG 4.12Å; Y334-P382 HydrophobicContact CE1-CB 3.82Å; Y334-P382 WeakPolarHBondContact CE1-O 3.43Å; F337-P382 HydrophobicContact CD1-CB 4.35Å; F337-P382 HydrophobicContact CE1-CB 3.83Å; F337-P382 HydrophobicContact CE1-CG 4Å; F337-P382 HydrophobicContact CE2-CG 4.49Å; F337-P382 HydrophobicContact CZ-CB 4.13Å; F337-P382 HydrophobicContact CZ-CG 3.79Å; P382-F384 VanDerWaalsContact C-N 3.27Å; P382-F384 PolarHBondContact O-N 3.04Å; P382-Q385 PolarHBondContact O-N 3.17Å
383M76.6Confident82.4Confident42 Ų4240 Ų4021%0.20719%0.193CC..Hα-helixtrans-65.9-27.4179.8-53.5178.267.900113F337 V338 T380 Y381 P387 V428F337-M383 HydrophobicContact CE1-CG 4.41Å; V338-M383 HydrophobicContact CG1-CE 4.29Å; V338-M383 HydrophobicContact CG2-CG 4.25Å; T380-M383 VanDerWaalsContact O-CB 3.26Å; T380-M383 WeakPolarHBondContact O-CB 3.46Å; T380-M383 WeakPolarHBondContact O-CG 3.26Å; T380-M383 PolarHBondContact O-N 2.98Å; Y381-M383 PolarHBondContact O-N 3.46Å; M383-P387 WeakPolarHBondContact O-CD 3.49Å; M383-V428 HydrophobicContact CE-CG2 3.8Å
384F77.7Confident82.8Confident132 Ų13242.2 Ų42.258%0.57921%0.205SC*.Hα-helixtrans-89.3-17-177.8-59.9-56.4000114.1Y381 P382 P387 R388Y381-F384 PolarHBondContact O-N 3.36Å; Y381-F384 VanDerWaalsContact O-N 3.09Å; P382-F384 VanDerWaalsContact C-N 3.27Å; P382-F384 PolarHBondContact O-N 3.04Å; F384-P387 WeakPolarHBondContact O-CD 3.45Å; F384-R388 PolarHBondContact O-N 3.31Å
385Q79.7Confident83Confident8 Ų842 Ų424%0.03720%0.203CC..Hα-helixtrans-74.5-34.2-176.7-164.469.6-6.100112.9E251 Y254 P382 R388 Y389E251-Q385 PolarHBondContact OE1-NE2 2.77Å; Y254-Q385 HydrophobicContact CD1-CG 4.12Å; Y254-Q385 HydrophobicContact CD2-CG 4.44Å; Y254-Q385 HydrophobicContact CE1-CB 4.26Å; Y254-Q385 HydrophobicContact CE1-CG 3.68Å; Y254-Q385 HydrophobicContact CE2-CB 4.06Å; Y254-Q385 HydrophobicContact CE2-CG 4.03Å; Y254-Q385 HydrophobicContact CG-CG 4.48Å; P382-Q385 PolarHBondContact O-N 3.17Å; Q385-R388 WeakPolarHBondContact O-CB 3.37Å; Q385-R388 PolarHBondContact O-N 3.35Å; Q385-R388 VanDerWaalsContact O-N 3.11Å; Q385-Y389 HydrophobicContact CG-CD2 4.41Å; Q385-Y389 HydrophobicContact CG-CE1 4.43Å; Q385-Y389 HydrophobicContact CG-CE2 3.72Å; Q385-Y389 WeakPolarHBondContact O-CD2 3.19Å; Q385-Y389 PolarHBondContact O-N 2.9Å
386I81.5Confident83.1Confident6 Ų642.1 Ų42.13%0.03120%0.203CC..Hα-helixtrans-62.7-47.7177.8-57.6-55.5000111.8Y334 R388 Y389 I390 L417 L420 M424Y334-I386 HydrophobicContact CD1-CG1 4.23Å; Y334-I386 HydrophobicContact CD2-CD1 4.47Å; Y334-I386 HydrophobicContact CE1-CD1 4.4Å; Y334-I386 HydrophobicContact CE1-CG1 4.13Å; Y334-I386 HydrophobicContact CE2-CD1 4.21Å; I386-R388 VanDerWaalsContact C-N 3.31Å; I386-R388 PolarHBondContact O-N 2.68Å; I386-Y389 HydrophobicContact CD1-CD2 4.21Å; I386-Y389 HydrophobicContact CD1-CE2 4.39Å; I386-Y389 PolarHBondContact O-N 2.92Å; I386-I390 HydrophobicContact CG2-CD1 4.41Å; I386-I390 WeakPolarHBondContact O-CG1 3.49Å; I386-I390 PolarHBondContact O-N 3.15Å; I386-L417 HydrophobicContact CD1-CD2 4.3Å; I386-L417 HydrophobicContact CG2-CD2 4.29Å; I386-L420 HydrophobicContact CB-CD2 4.47Å; I386-L420 HydrophobicContact CD1-CD2 3.79Å; I386-L420 HydrophobicContact CG1-CD2 3.82Å; I386-L420 HydrophobicContact CG2-CB 4.38Å; I386-L420 HydrophobicContact CG2-CD2 3.84Å; I386-L420 HydrophobicContact CG2-CG 4.17Å; I386-M424 HydrophobicContact CB-CE 4.3Å; I386-M424 HydrophobicContact CB-SD 4.25Å; I386-M424 HydrophobicContact CG1-CE 4.16Å; I386-M424 HydrophobicContact CG1-SD 3.91Å; I386-M424 HydrophobicContact CG2-SD 4.39Å
387P81.5Confident83.3Confident45 Ų4540 Ų4029%0.29219%0.194SC..Hα-helixtrans-54.5-39.9167.7-29.335.7000114.5M383 F384 Y389 I390 I391M383-P387 WeakPolarHBondContact O-CD 3.49Å; F384-P387 WeakPolarHBondContact O-CD 3.45Å; P387-Y389 PolarHBondContact O-N 3.04Å; P387-I390 PolarHBondContact O-N 3.19Å; P387-I391 WeakPolarHBondContact O-CG1 3.23Å; P387-I391 PolarHBondContact O-N 3.34Å; P387-I391 VanDerWaalsContact O-N 3.1Å
388R83.1Confident83.5Confident99 Ų9941.6 Ų41.637%0.37421%0.211SC..Hα-helixtrans-60.1-45.6178.6-166177.7-176170.70.4111.2E253 F384 Q385 I386 I390 I391 T392E253-R388 IonicContact OE2-NH2 2.74Å; F384-R388 PolarHBondContact O-N 3.31Å; Q385-R388 WeakPolarHBondContact O-CB 3.37Å; Q385-R388 PolarHBondContact O-N 3.35Å; Q385-R388 VanDerWaalsContact O-N 3.11Å; I386-R388 VanDerWaalsContact C-N 3.31Å; I386-R388 PolarHBondContact O-N 2.68Å; R388-I390 PolarHBondContact O-N 3.16Å; R388-I391 PolarHBondContact O-N 3.45Å; R388-T392 PolarHBondContact O-N 2.73Å; R388-T392 PolarHBondContact O-OG1 3.16Å
389Y85.9Confident83.7Confident6 Ų643.7 Ų43.72%0.02422%0.221CC..Hα-helixtrans-62-38.2175.2-63.9-47.5000113.4E251 H301 F304 Q385 I386 P387 I391 T392 L393E251-Y389 HydrophobicContact CG-CE1 4.49Å; E251-Y389 WeakPolarHBondContact OE1-CE1 3.18Å; E251-Y389 VanDerWaalsContact OE1-CZ 3.31Å; E251-Y389 PolarHBondContact OE1-OH 3.4Å; E251-Y389 PolarHBondContact OE2-OH 3.39Å; H301-Y389 AromaticContact CE1-CE2 3.95Å; H301-Y389 PolarHBondContact CE1-OH 3.43Å; H301-Y389 PolarHBondContact ND1-OH 3.17Å; F304-Y389 HydrophobicContact CE1-CE1 4Å; Q385-Y389 HydrophobicContact CG-CD2 4.41Å; Q385-Y389 HydrophobicContact CG-CE1 4.43Å; Q385-Y389 HydrophobicContact CG-CE2 3.72Å; Q385-Y389 WeakPolarHBondContact O-CD2 3.19Å; Q385-Y389 PolarHBondContact O-N 2.9Å; I386-Y389 HydrophobicContact CD1-CD2 4.21Å; I386-Y389 HydrophobicContact CD1-CE2 4.39Å; I386-Y389 PolarHBondContact O-N 2.92Å; P387-Y389 PolarHBondContact O-N 3.04Å; Y389-I391 VanDerWaalsContact C-N 3.31Å; Y389-I391 PolarHBondContact O-N 3.16Å; Y389-T392 PolarHBondContact O-N 2.99Å; Y389-L393 VanDerWaalsContact O-CB 3.3Å; Y389-L393 WeakPolarHBondContact O-CB 3.42Å; Y389-L393 WeakPolarHBondContact O-CG 3.44Å; Y389-L393 PolarHBondContact O-N 3.1Å
390I85.4Confident83.7Confident18 Ų1843.5 Ų43.59%0.09222%0.22CC..Hα-helixtrans-63.9-39178.2-64.2163.3000110.8I386 P387 R388 H394 L417 E418I386-I390 HydrophobicContact CG2-CD1 4.41Å; I386-I390 WeakPolarHBondContact O-CG1 3.49Å; I386-I390 PolarHBondContact O-N 3.15Å; P387-I390 PolarHBondContact O-N 3.19Å; R388-I390 PolarHBondContact O-N 3.16Å; I390-H394 PolarHBondContact O-N 3.27Å; I390-H394 PolarHBondContact O-ND1 2.76Å; I390-L417 HydrophobicContact CD1-CB 4.35Å; I390-L417 WeakPolarHBondContact CD1-O 3.36Å; I390-L417 HydrophobicContact CG1-CB 3.76Å; I390-E418 HydrophobicContact CD1-CG 4.26Å; I390-E418 HydrophobicContact CG1-CG 4.3Å; I390-E418 HydrophobicContact CG2-CG 3.76Å
391I86.7Confident83.7Confident111 Ų11143.3 Ų43.357%0.56922%0.22SC*.Hα-helixtrans-67.6-50.4176.2-65165.1000110.3P387 R388 Y389 L393 H394 E395P387-I391 WeakPolarHBondContact O-CG1 3.23Å; P387-I391 PolarHBondContact O-N 3.34Å; P387-I391 VanDerWaalsContact O-N 3.1Å; R388-I391 PolarHBondContact O-N 3.45Å; Y389-I391 VanDerWaalsContact C-N 3.31Å; Y389-I391 PolarHBondContact O-N 3.16Å; I391-L393 VanDerWaalsContact C-N 3.31Å; I391-L393 PolarHBondContact O-N 2.82Å; I391-H394 WeakPolarHBondContact O-CB 3.39Å; I391-H394 PolarHBondContact O-N 2.72Å; I391-H394 VanDerWaalsContact O-N 3.11Å; I391-E395 PolarHBondContact O-N 3.26Å
392T87.3Confident83.5Confident25 Ų2548.1 Ų48.115%0.15324%0.244CC..Hα-helixtrans-61-37.4178.4-57.80000112.4I243 M247 R388 Y389 E395 L396I243-T392 HydrophobicContact CG2-CG2 3.94Å; M247-T392 HydrophobicContact CB-CG2 4Å; M247-T392 HydrophobicContact CG-CG2 4.07Å; M247-T392 HydrophobicContact SD-CG2 4.23Å; R388-T392 PolarHBondContact O-N 2.73Å; R388-T392 PolarHBondContact O-OG1 3.16Å; Y389-T392 PolarHBondContact O-N 2.99Å; T392-E395 PolarHBondContact O-N 2.74Å; T392-L396 VanDerWaalsContact O-CB 3.23Å; T392-L396 WeakPolarHBondContact O-CB 3.38Å; T392-L396 PolarHBondContact O-N 3.36Å
393L88.5Confident83.3Confident2 Ų254.5 Ų54.51%0.0127%0.274CS..Hα-helixtrans-69.6-36.2173.8-78.2174.2000113F324 Y389 I391 L396 L397 L410 K414 L417F324-L393 HydrophobicContact CD1-CD1 4.02Å; F324-L393 HydrophobicContact CE1-CD1 3.7Å; F324-L393 HydrophobicContact CE1-CD2 3.91Å; F324-L393 HydrophobicContact CE1-CG 3.93Å; F324-L393 HydrophobicContact CE2-CD2 4.08Å; F324-L393 HydrophobicContact CZ-CD1 4.31Å; F324-L393 HydrophobicContact CZ-CD2 3.64Å; F324-L393 HydrophobicContact CZ-CG 4.07Å; Y389-L393 VanDerWaalsContact O-CB 3.3Å; Y389-L393 WeakPolarHBondContact O-CB 3.42Å; Y389-L393 WeakPolarHBondContact O-CG 3.44Å; Y389-L393 PolarHBondContact O-N 3.1Å; I391-L393 VanDerWaalsContact C-N 3.31Å; I391-L393 PolarHBondContact O-N 2.82Å; L393-L396 HydrophobicContact CD2-CD2 4.37Å; L393-L397 WeakPolarHBondContact O-CB 3.42Å; L393-L397 WeakPolarHBondContact O-CD1 3.36Å; L393-L397 VanDerWaalsContact O-CG 3.23Å; L393-L397 WeakPolarHBondContact O-CG 3.16Å; L393-L397 PolarHBondContact O-N 3.32Å; L393-L410 HydrophobicContact CD2-CD2 3.98Å; L393-K414 HydrophobicContact CB-CB 4.21Å; L393-K414 HydrophobicContact CB-CG 3.91Å; L393-K414 HydrophobicContact CD1-CB 4.1Å; L393-K414 HydrophobicContact CD1-CG 4.42Å; L393-L417 HydrophobicContact CD1-CD1 3.68Å
394H88.9Confident83.4Confident90 Ų9054.7 Ų54.742%0.41727%0.274SS..Hα-helixtrans-59.8-48.2170.8-88.495.7000111.3I390 I391 L397 A398 K414 E418I390-H394 PolarHBondContact O-N 3.27Å; I390-H394 PolarHBondContact O-ND1 2.76Å; I391-H394 WeakPolarHBondContact O-CB 3.39Å; I391-H394 PolarHBondContact O-N 2.72Å; I391-H394 VanDerWaalsContact O-N 3.11Å; H394-L397 PolarHBondContact O-N 3.29Å; H394-A398 PolarHBondContact O-N 3.39Å; H394-K414 PolarHBondContact CE1-NZ 2.94Å; H394-K414 PolarHBondContact NE2-NZ 3.03Å; H394-E418 IonicContact CE1-OE1 2.86Å; H394-E418 PolarHBondContact CE1-OE1 2.84Å; H394-E418 IonicContact NE2-OE1 3.98Å
395E88.4Confident83.4Confident94 Ų9453.4 Ų53.444%0.43928%0.276SS..Hα-helixtrans-63.9-44.6-179.4-152.2-171.9162.200111.2I243 I391 T392 L397 A398 H399I243-E395 HydrophobicContact CD1-CB 4.14Å; I243-E395 HydrophobicContact CD1-CG 3.66Å; I243-E395 HydrophobicContact CG1-CG 4.18Å; I243-E395 HydrophobicContact CG2-CB 4.47Å; I391-E395 PolarHBondContact O-N 3.26Å; T392-E395 PolarHBondContact O-N 2.74Å; E395-L397 VanDerWaalsContact C-N 3.33Å; E395-L397 PolarHBondContact O-N 2.87Å; E395-A398 WeakPolarHBondContact O-CB 3.28Å; E395-A398 PolarHBondContact O-N 2.95Å; E395-H399 PolarHBondContact O-N 3.13Å
396L87.4Confident83.3Confident2 Ų253.3 Ų53.31%0.0128%0.276CS..Hα-helixtrans-61.6-39.7175.3-172.668.9000111.8R240 I243 V244 T392 L393 H399 T400 L410R240-L396 HydrophobicContact CG-CD1 3.62Å; I243-L396 HydrophobicContact CB-CD1 4.4Å; I243-L396 HydrophobicContact CG2-CB 4.08Å; I243-L396 HydrophobicContact CG2-CD1 4.22Å; V244-L396 HydrophobicContact CG2-CD1 3.64Å; T392-L396 VanDerWaalsContact O-CB 3.23Å; T392-L396 WeakPolarHBondContact O-CB 3.38Å; T392-L396 PolarHBondContact O-N 3.36Å; L393-L396 HydrophobicContact CD2-CD2 4.37Å; L396-H399 PolarHBondContact O-N 3.33Å; L396-T400 VanDerWaalsContact O-CB 3.24Å; L396-T400 WeakPolarHBondContact O-CB 3.43Å; L396-T400 PolarHBondContact O-N 3.03Å; L396-T400 PolarHBondContact O-OG1 3.16Å; L396-L410 HydrophobicContact CD2-CD1 4.04Å; L396-L410 HydrophobicContact CD2-CD2 4.32Å
397L87.4Confident83.4Confident10 Ų1054.6 Ų54.65%0.05228%0.281CS..Hα-helixtrans-75.2-25.7177.1-77.1168.8000113.6L393 H394 E395 H399 R407 L410 E411 K414L393-L397 WeakPolarHBondContact O-CB 3.42Å; L393-L397 WeakPolarHBondContact O-CD1 3.36Å; L393-L397 VanDerWaalsContact O-CG 3.23Å; L393-L397 WeakPolarHBondContact O-CG 3.16Å; L393-L397 PolarHBondContact O-N 3.32Å; H394-L397 PolarHBondContact O-N 3.29Å; E395-L397 VanDerWaalsContact C-N 3.33Å; E395-L397 PolarHBondContact O-N 2.87Å; L397-H399 VanDerWaalsContact C-N 3.28Å; L397-R407 HydrophobicContact CD2-CG 3.78Å; L397-R407 PolarHBondContact O-NH1 3.23Å; L397-L410 HydrophobicContact CD2-CB 3.77Å; L397-L410 HydrophobicContact CG-CB 4.26Å; L397-E411 HydrophobicContact CD1-CG 3.82Å; L397-E411 HydrophobicContact CD2-CG 3.81Å; L397-E411 HydrophobicContact CG-CG 4.47Å; L397-K414 HydrophobicContact CD1-CB 4.21Å; L397-K414 HydrophobicContact CD1-CD 3.93Å; L397-K414 HydrophobicContact CD1-CG 4.45Å
398A86.9Confident83.5Confident77 Ų7760.7 Ų60.764%0.63630%0.302SS*.Hα-helixtrans-66.6-33.7170.800000111.4H394 E395H394-A398 PolarHBondContact O-N 3.39Å; E395-A398 WeakPolarHBondContact O-CB 3.28Å; E395-A398 PolarHBondContact O-N 2.95Å
399H85.5Confident83.5Confident47 Ų4758.8 Ų58.822%0.21830%0.304CS..Hα-helixtrans-98.2-5.7179.9-73.4-58.6000115.7S236 K239 R240 I243 E395 L396 L397S236-H399 WeakPolarHBondContact OG-CA 3.4Å; S236-H399 PolarHBondContact OG-ND1 3.29Å; S236-H399 PolarHBondContact OG-O 3.4Å; K239-H399 HydrophobicContact CB-CB 4.47Å; R240-H399 HydrophobicContact CB-CB 4.01Å; I243-H399 HydrophobicContact CD1-CB 4.46Å; E395-H399 PolarHBondContact O-N 3.13Å; L396-H399 PolarHBondContact O-N 3.33Å; L397-H399 VanDerWaalsContact C-N 3.28Å
400T83.6Confident83.5Confident2 Ų258.5 Ų58.51%0.01230%0.303CS..SBendtrans-90.2117.5176.1-65.50000110.8R240 L396 H404 R407R240-T400 PolarHBondContact NE-OG1 2.93Å; L396-T400 VanDerWaalsContact O-CB 3.24Å; L396-T400 WeakPolarHBondContact O-CB 3.43Å; L396-T400 PolarHBondContact O-N 3.03Å; L396-T400 PolarHBondContact O-OG1 3.16Å; T400-H404 HydrophobicContact CG2-CB 3.54Å; T400-R407 HydrophobicContact CG2-CB 4.17Å; T400-R407 HydrophobicContact CG2-CG 4.39Å; T400-R407 PolarHBondContact O-NH1 2.96Å
401P78.3Confident83.5Confident34 Ų3461.1 Ų61.122%0.22132%0.315CS..  trans-54.7150.4-178.5-27.434.8000114.2M237 E403 H404M237-P401 HydrophobicContact SD-CG 4.16Å; P401-E403 PolarHBondContact O-N 3.06Å; P401-H404 HydrophobicContact CB-CB 4.4Å; P401-H404 WeakPolarHBondContact O-CB 3.47Å; P401-H404 PolarHBondContact O-N 3.14Å
402H75.4Confident83.5Confident157 Ų15760.8 Ų60.873%0.72731%0.309SS*.THydrogen-bonded Turntrans-60.2-28.5-179.1-71.7-71.6000114.2R407H402-R407 PolarHBondContact ND1-NE 3.03Å
403E73.9Confident83.4Confident138 Ų13859.7 Ų59.765%0.64530%0.303SS*.THydrogen-bonded Turntrans-89.80.2177.6-66.3166.5142.300113.3P401 V405 R1209P401-E403 PolarHBondContact O-N 3.06Å; E403-V405 PolarHBondContact O-N 3.06Å; E403-R1209 IonicContact OE1-CZ 3.76Å; E403-R1209 IonicContact OE1-NH2 3.51Å; E403-R1209 PolarHBondContact OE1-NH2 2.72Å; E403-R1209 IonicContact OE2-CZ 2.85Å; E403-R1209 IonicContact OE2-NH2 3.55Å; E403-R1209 PolarHBondContact OE2-NH2 2.9Å
404H78.6Confident83.3Confident46 Ų4661.3 Ų61.321%0.21331%0.31CS..  trans-68.9128.2-179.1-169-87.6000111R240 T400 P401 E406 R407R240-H404 PolarHBondContact NH2-CE1 3.41Å; R240-H404 VanDerWaalsContact NH2-CE1 3.28Å; T400-H404 HydrophobicContact CG2-CB 3.54Å; P401-H404 HydrophobicContact CB-CB 4.4Å; P401-H404 WeakPolarHBondContact O-CB 3.47Å; P401-H404 PolarHBondContact O-N 3.14Å; H404-E406 IonicContact CE1-OE2 2.83Å; H404-E406 PolarHBondContact CE1-OE2 3.1Å; H404-E406 PolarHBondContact ND1-N 3.35Å; H404-E406 PolarHBondContact O-N 3.19Å; H404-R407 VanDerWaalsContact O-CB 3.29Å; H404-R407 WeakPolarHBondContact O-CB 3.37Å; H404-R407 PolarHBondContact O-N 2.71Å
405V77.6Confident83.2Confident104 Ų10459.8 Ų59.863%0.6331%0.309SS*.THydrogen-bonded Turntrans-53.2-35.5-170.4-63.20000114.4E403E403-V405 PolarHBondContact O-N 3.06Å
406E77.4Confident82.9Confident6 Ų658 Ų583%0.02830%0.3CS..THydrogen-bonded Turntrans-77-17.1179.2-62.2-166.587.500115.1R240 V319 L320 A321 H404 K408 S409 L410R240-E406 IonicContact CZ-OE2 2.73Å; R240-E406 IonicContact NH1-OE2 3.28Å; R240-E406 IonicContact NH2-OE2 3.28Å; R240-E406 PolarHBondContact NH2-OE2 3.39Å; V319-E406 WeakPolarHBondContact CA-OE1 3.35Å; V319-E406 HydrophobicContact CG1-CG 4.3Å; V319-E406 HydrophobicContact CG2-CG 4.44Å; L320-E406 PolarHBondContact N-OE1 3.29Å; A321-E406 PolarHBondContact N-OE1 3.2Å; H404-E406 IonicContact CE1-OE2 2.83Å; H404-E406 PolarHBondContact CE1-OE2 3.1Å; H404-E406 PolarHBondContact ND1-N 3.35Å; H404-E406 PolarHBondContact O-N 3.19Å; E406-K408 VanDerWaalsContact C-N 3.31Å; E406-K408 PolarHBondContact O-N 3.49Å; E406-S409 WeakPolarHBondContact O-CA 3.37Å; E406-S409 WeakPolarHBondContact O-CB 3.29Å; E406-S409 PolarHBondContact O-N 3.46Å; E406-L410 HydrophobicContact CB-CD1 3.98Å; E406-L410 HydrophobicContact CB-CG 4.23Å; E406-L410 PolarHBondContact O-N 2.68Å
407R83.1Confident82.8Confident34 Ų3458.5 Ų58.513%0.12830%0.303CS..Hα-helixtrans-57.2-44.6-160.7-173.2-177.516894.120.5112.2L397 T400 H402 H404 S409 L410 E411L397-R407 HydrophobicContact CD2-CG 3.78Å; L397-R407 PolarHBondContact O-NH1 3.23Å; T400-R407 HydrophobicContact CG2-CB 4.17Å; T400-R407 HydrophobicContact CG2-CG 4.39Å; T400-R407 PolarHBondContact O-NH1 2.96Å; H402-R407 PolarHBondContact ND1-NE 3.03Å; H404-R407 VanDerWaalsContact O-CB 3.29Å; H404-R407 WeakPolarHBondContact O-CB 3.37Å; H404-R407 PolarHBondContact O-N 2.71Å; R407-S409 VanDerWaalsContact C-N 3.3Å; R407-S409 PolarHBondContact O-N 3.33Å; R407-L410 PolarHBondContact O-N 3.24Å; R407-E411 HydrophobicContact CG-CG 4.43Å; R407-E411 IonicContact CZ-OE1 3.73Å; R407-E411 IonicContact NE-OE1 3.93Å; R407-E411 PolarHBondContact NE-OE1 3.5Å; R407-E411 IonicContact NH2-OE1 3.67Å; R407-E411 PolarHBondContact NH2-OE1 2.84Å; R407-E411 WeakPolarHBondContact O-CB 3.39Å; R407-E411 VanDerWaalsContact O-CG 3.31Å; R407-E411 WeakPolarHBondContact O-CG 3.43Å; R407-E411 PolarHBondContact O-N 3.21Å
408K84.4Confident82.6Confident173 Ų17360.3 Ų60.375%0.75231%0.311SS*.Hα-helixtrans-62.3-35.5178.1-65.7174.8-178.8170.70112.7E406 F412E406-K408 VanDerWaalsContact C-N 3.31Å; E406-K408 PolarHBondContact O-N 3.49Å; K408-F412 WeakPolarHBondContact O-CB 3.13Å; K408-F412 PolarHBondContact O-N 3.06Å
409S82.4Confident82.4Confident58 Ų5860.2 Ų60.241%0.40630%0.297SS..Hα-helixtrans-76.6-37.1179-52.10000111.7A321 E406 R407 F412 A413A321-S409 VanDerWaalsContact CB-CB 3.44Å; E406-S409 WeakPolarHBondContact O-CA 3.37Å; E406-S409 WeakPolarHBondContact O-CB 3.29Å; E406-S409 PolarHBondContact O-N 3.46Å; R407-S409 VanDerWaalsContact C-N 3.3Å; R407-S409 PolarHBondContact O-N 3.33Å; S409-F412 PolarHBondContact O-N 2.99Å; S409-A413 WeakPolarHBondContact O-CB 3.48Å; S409-A413 PolarHBondContact O-N 3.45Å
410L85.1Confident82Confident0 Ų058.4 Ų58.40%029%0.289CS..Hα-helixtrans-67.4-37.8170.9-67.8172.2000111.7A321 F324 L393 L396 L397 E406 R407 A413 K414A321-L410 HydrophobicContact CB-CD2 3.96Å; A321-L410 HydrophobicContact CB-CG 4.11Å; F324-L410 HydrophobicContact CD2-CD2 4.39Å; F324-L410 HydrophobicContact CE2-CD2 4.33Å; L393-L410 HydrophobicContact CD2-CD2 3.98Å; L396-L410 HydrophobicContact CD2-CD1 4.04Å; L396-L410 HydrophobicContact CD2-CD2 4.32Å; L397-L410 HydrophobicContact CD2-CB 3.77Å; L397-L410 HydrophobicContact CG-CB 4.26Å; E406-L410 HydrophobicContact CB-CD1 3.98Å; E406-L410 HydrophobicContact CB-CG 4.23Å; E406-L410 PolarHBondContact O-N 2.68Å; R407-L410 PolarHBondContact O-N 3.24Å; L410-A413 PolarHBondContact O-N 3.12Å; L410-K414 VanDerWaalsContact O-CB 3.29Å; L410-K414 WeakPolarHBondContact O-CB 3.41Å; L410-K414 PolarHBondContact O-N 3.4Å
411E87.2Confident81.9Confident74 Ų7460 Ų6035%0.34630%0.301SS..Hα-helixtrans-64-39.2172.2-76168.2164.100111.8L397 R407 S415L397-E411 HydrophobicContact CD1-CG 3.82Å; L397-E411 HydrophobicContact CD2-CG 3.81Å; L397-E411 HydrophobicContact CG-CG 4.47Å; R407-E411 HydrophobicContact CG-CG 4.43Å; R407-E411 IonicContact CZ-OE1 3.73Å; R407-E411 IonicContact NE-OE1 3.93Å; R407-E411 PolarHBondContact NE-OE1 3.5Å; R407-E411 IonicContact NH2-OE1 3.67Å; R407-E411 PolarHBondContact NH2-OE1 2.84Å; R407-E411 WeakPolarHBondContact O-CB 3.39Å; R407-E411 VanDerWaalsContact O-CG 3.31Å; R407-E411 WeakPolarHBondContact O-CG 3.43Å; R407-E411 PolarHBondContact O-N 3.21Å; E411-S415 WeakPolarHBondContact O-CB 3.17Å; E411-S415 PolarHBondContact O-N 2.69Å
412F85.8Confident81.9Confident103 Ų10364.6 Ų64.645%0.45231%0.313SS..Hα-helixtrans-64.7-48.4172.9176.2-103.9000112.4L328 K408 S409 K414 S415 K416L328-F412 HydrophobicContact CD1-CE1 4.13Å; K408-F412 WeakPolarHBondContact O-CB 3.13Å; K408-F412 PolarHBondContact O-N 3.06Å; S409-F412 PolarHBondContact O-N 2.99Å; F412-K414 VanDerWaalsContact C-N 3.35Å; F412-K414 PolarHBondContact O-N 3.16Å; F412-S415 PolarHBondContact O-N 3.31Å; F412-K416 HydrophobicContact CE1-CG 4.34Å; F412-K416 HydrophobicContact CE2-CG 4.29Å; F412-K416 HydrophobicContact CZ-CG 4.11Å; F412-K416 PolarHBondContact O-N 3.27Å
413A84.7Confident81.8Confident3 Ų359.3 Ų59.33%0.02529%0.292CS..Hα-helixtrans-58.8-44.6175.400000112F324 S409 L410 S415 K416 L417F324-A413 HydrophobicContact CB-CB 3.58Å; F324-A413 HydrophobicContact CD1-CB 4.3Å; F324-A413 HydrophobicContact CG-CB 4.01Å; S409-A413 WeakPolarHBondContact O-CB 3.48Å; S409-A413 PolarHBondContact O-N 3.45Å; L410-A413 PolarHBondContact O-N 3.12Å; A413-S415 PolarHBondContact O-N 3.24Å; A413-K416 PolarHBondContact O-N 3.41Å; A413-L417 PolarHBondContact O-N 3.4Å
414K87.1Confident81.6Confident36 Ų3653.4 Ų53.416%0.15727%0.265CS..Hα-helixtrans-58.1-48.9174.8-162-154.780.8142.20110.9L393 H394 L397 L410 F412 K416 L417 E418L393-K414 HydrophobicContact CB-CB 4.21Å; L393-K414 HydrophobicContact CB-CG 3.91Å; L393-K414 HydrophobicContact CD1-CB 4.1Å; L393-K414 HydrophobicContact CD1-CG 4.42Å; H394-K414 PolarHBondContact CE1-NZ 2.94Å; H394-K414 PolarHBondContact NE2-NZ 3.03Å; L397-K414 HydrophobicContact CD1-CB 4.21Å; L397-K414 HydrophobicContact CD1-CD 3.93Å; L397-K414 HydrophobicContact CD1-CG 4.45Å; L410-K414 VanDerWaalsContact O-CB 3.29Å; L410-K414 WeakPolarHBondContact O-CB 3.41Å; L410-K414 PolarHBondContact O-N 3.4Å; F412-K414 VanDerWaalsContact C-N 3.35Å; F412-K414 PolarHBondContact O-N 3.16Å; K414-K416 VanDerWaalsContact C-N 3.3Å; K414-K416 PolarHBondContact O-N 3.44Å; K414-L417 PolarHBondContact O-N 3.24Å; K414-E418 WeakPolarHBondContact CE-OE1 3.38Å; K414-E418 WeakPolarHBondContact CE-OE2 3.39Å; K414-E418 IonicContact NZ-OE1 3.45Å; K414-E418 PolarHBondContact NZ-OE1 2.72Å; K414-E418 IonicContact NZ-OE2 2.69Å; K414-E418 PolarHBondContact NZ-OE2 3.25Å; K414-E418 WeakPolarHBondContact O-CG 3.48Å; K414-E418 PolarHBondContact O-N 2.79Å
415S87.4Confident81.2Confident57 Ų5757.7 Ų57.740%0.39929%0.285SS..Hα-helixtrans-60.8-37.7179.6-173.70000112.6E411 F412 A413 E418 E419E411-S415 WeakPolarHBondContact O-CB 3.17Å; E411-S415 PolarHBondContact O-N 2.69Å; F412-S415 PolarHBondContact O-N 3.31Å; A413-S415 PolarHBondContact O-N 3.24Å; S415-E418 PolarHBondContact O-N 2.75Å; S415-E419 WeakPolarHBondContact O-CB 3.5Å; S415-E419 PolarHBondContact O-N 3.37Å
416K81.9Confident80.9Confident57 Ų5756.7 Ų56.725%0.24828%0.276CS..Hα-helixtrans-70.3-36175.9-75.4-74.5152.6-1610113.4L328 F412 A413 K414 E419 L420L328-K416 HydrophobicContact CD2-CB 3.63Å; L328-K416 HydrophobicContact CD2-CD 4.32Å; L328-K416 HydrophobicContact CD2-CG 3.87Å; F412-K416 HydrophobicContact CE1-CG 4.34Å; F412-K416 HydrophobicContact CE2-CG 4.29Å; F412-K416 HydrophobicContact CZ-CG 4.11Å; F412-K416 PolarHBondContact O-N 3.27Å; A413-K416 PolarHBondContact O-N 3.41Å; K414-K416 VanDerWaalsContact C-N 3.3Å; K414-K416 PolarHBondContact O-N 3.44Å; K416-E419 WeakPolarHBondContact CD-OE2 3.37Å; K416-E419 WeakPolarHBondContact CE-OE2 3.21Å; K416-E419 IonicContact NZ-OE1 2.7Å; K416-E419 IonicContact NZ-OE2 3.64Å; K416-E419 PolarHBondContact NZ-OE2 3.42Å; K416-E419 PolarHBondContact O-N 3.49Å; K416-L420 PolarHBondContact O-N 3.05Å
417L83.9Confident80.5Confident12 Ų1258.1 Ų58.16%0.06328%0.282CS..Hα-helixtrans-72.7-36.5173.4-71.2165.7000111.9F324 I386 I390 L393 A413 K414 E419 L420 S421F324-L417 HydrophobicContact CD1-CD1 4.12Å; F324-L417 HydrophobicContact CE1-CD1 4.36Å; I386-L417 HydrophobicContact CD1-CD2 4.3Å; I386-L417 HydrophobicContact CG2-CD2 4.29Å; I390-L417 HydrophobicContact CD1-CB 4.35Å; I390-L417 WeakPolarHBondContact CD1-O 3.36Å; I390-L417 HydrophobicContact CG1-CB 3.76Å; L393-L417 HydrophobicContact CD1-CD1 3.68Å; A413-L417 PolarHBondContact O-N 3.4Å; K414-L417 PolarHBondContact O-N 3.24Å; L417-E419 VanDerWaalsContact C-N 3.3Å; L417-E419 PolarHBondContact O-N 3.1Å; L417-L420 WeakPolarHBondContact O-CB 3.48Å; L417-L420 PolarHBondContact O-N 3.38Å; L417-S421 WeakPolarHBondContact O-CB 3.39Å; L417-S421 PolarHBondContact O-N 3.27Å
418E84Confident79.7Confident48 Ų4859.3 Ų59.322%0.22429%0.293CS..Hα-helixtrans-62.6-36.4170.7-73.1173.315100112.3I390 H394 K414 S415 S421 R422I390-E418 HydrophobicContact CD1-CG 4.26Å; I390-E418 HydrophobicContact CG1-CG 4.3Å; I390-E418 HydrophobicContact CG2-CG 3.76Å; H394-E418 IonicContact CE1-OE1 2.86Å; H394-E418 PolarHBondContact CE1-OE1 2.84Å; H394-E418 IonicContact NE2-OE1 3.98Å; K414-E418 WeakPolarHBondContact CE-OE1 3.38Å; K414-E418 WeakPolarHBondContact CE-OE2 3.39Å; K414-E418 IonicContact NZ-OE1 3.45Å; K414-E418 PolarHBondContact NZ-OE1 2.72Å; K414-E418 IonicContact NZ-OE2 2.69Å; K414-E418 PolarHBondContact NZ-OE2 3.25Å; K414-E418 WeakPolarHBondContact O-CG 3.48Å; K414-E418 PolarHBondContact O-N 2.79Å; S415-E418 PolarHBondContact O-N 2.75Å; E418-S421 PolarHBondContact O-N 3.37Å; E418-R422 PolarHBondContact O-N 3.36Å; E418-R422 VanDerWaalsContact O-N 3.13Å; E418-R422 PolarHBondContact O-NH1 3.03Å; E418-R422 VanDerWaalsContact O-NH1 3.13Å
419E82.6Confident78.7Confident75 Ų7554.3 Ų54.335%0.3528%0.28SS..Hα-helixtrans-65.5-45.3172.3-169.4177.9-171.800111.8S415 K416 L417 S421 R422 V423S415-E419 WeakPolarHBondContact O-CB 3.5Å; S415-E419 PolarHBondContact O-N 3.37Å; K416-E419 WeakPolarHBondContact CD-OE2 3.37Å; K416-E419 WeakPolarHBondContact CE-OE2 3.21Å; K416-E419 IonicContact NZ-OE1 2.7Å; K416-E419 IonicContact NZ-OE2 3.64Å; K416-E419 PolarHBondContact NZ-OE2 3.42Å; K416-E419 PolarHBondContact O-N 3.49Å; L417-E419 VanDerWaalsContact C-N 3.3Å; L417-E419 PolarHBondContact O-N 3.1Å; E419-S421 VanDerWaalsContact C-N 3.35Å; E419-S421 PolarHBondContact O-N 2.73Å; E419-R422 PolarHBondContact O-N 2.93Å; E419-V423 WeakPolarHBondContact O-CG2 3.43Å; E419-V423 PolarHBondContact O-N 2.86Å; E419-V423 VanDerWaalsContact O-N 3.07Å
420L78.4Confident77.9Confident9 Ų955.4 Ų55.45%0.04728%0.281CS..Hα-helixtrans-58.4-45.2172.1-177.360.5000112L331 I386 K416 L417 R422 V423 M424L331-L420 HydrophobicContact CB-CD1 4.42Å; L331-L420 HydrophobicContact CD2-CB 3.63Å; L331-L420 HydrophobicContact CD2-CD1 3.96Å; L331-L420 HydrophobicContact CD2-CD2 4.01Å; L331-L420 HydrophobicContact CD2-CG 4.04Å; I386-L420 HydrophobicContact CB-CD2 4.47Å; I386-L420 HydrophobicContact CD1-CD2 3.79Å; I386-L420 HydrophobicContact CG1-CD2 3.82Å; I386-L420 HydrophobicContact CG2-CB 4.38Å; I386-L420 HydrophobicContact CG2-CD2 3.84Å; I386-L420 HydrophobicContact CG2-CG 4.17Å; K416-L420 PolarHBondContact O-N 3.05Å; L417-L420 WeakPolarHBondContact O-CB 3.48Å; L417-L420 PolarHBondContact O-N 3.38Å; L420-R422 VanDerWaalsContact C-N 3.26Å; L420-R422 PolarHBondContact O-N 3.25Å; L420-V423 PolarHBondContact O-N 3.25Å; L420-M424 HydrophobicContact CD1-CG 3.98Å; L420-M424 HydrophobicContact CD1-SD 3.99Å; L420-M424 HydrophobicContact CD2-SD 3.98Å; L420-M424 HydrophobicContact CG-CG 4.14Å; L420-M424 HydrophobicContact CG-SD 3.64Å; L420-M424 WeakPolarHBondContact O-CB 3.31Å; L420-M424 WeakPolarHBondContact O-CG 3.49Å; L420-M424 PolarHBondContact O-N 2.87Å
421S80Confident76.9Confident36 Ų3657.2 Ų57.225%0.25229%0.293SS..Hα-helixtrans-68.6-23.9-177.5-171.50000113.3L417 E418 E419 H425L417-S421 WeakPolarHBondContact O-CB 3.39Å; L417-S421 PolarHBondContact O-N 3.27Å; E418-S421 PolarHBondContact O-N 3.37Å; E419-S421 VanDerWaalsContact C-N 3.35Å; E419-S421 PolarHBondContact O-N 2.73Å; S421-H425 WeakPolarHBondContact O-CB 3.49Å; S421-H425 PolarHBondContact O-N 3.42Å
422R79.4Confident76Confident130 Ų13056.5 Ų56.549%0.49129%0.289SS..Hα-helixtrans-72.3-56.2167.2-72.6-174.7-61.1-83.42110.2E418 E419 L420 M424 H425 D426E418-R422 PolarHBondContact O-N 3.36Å; E418-R422 VanDerWaalsContact O-N 3.13Å; E418-R422 PolarHBondContact O-NH1 3.03Å; E418-R422 VanDerWaalsContact O-NH1 3.13Å; E419-R422 PolarHBondContact O-N 2.93Å; L420-R422 VanDerWaalsContact C-N 3.26Å; L420-R422 PolarHBondContact O-N 3.25Å; R422-M424 VanDerWaalsContact C-N 3.26Å; R422-M424 PolarHBondContact O-N 2.88Å; R422-M424 VanDerWaalsContact O-N 3.16Å; R422-H425 CarbonylContact O-C 3.6Å; R422-H425 WeakPolarHBondContact O-CA 3.15Å; R422-H425 WeakPolarHBondContact O-CB 3.39Å; R422-H425 PolarHBondContact O-N 3.18Å; R422-D426 VanDerWaalsContact C-OD2 3.27Å; R422-D426 PolarHBondContact O-N 3.47Å; R422-D426 VanDerWaalsContact O-OD2 3.09Å
423V73.9Confident75.3Confident47 Ų4752.1 Ų52.129%0.28527%0.271SS..Hα-helixtrans-54.3-40.6179.6173.80000112.4Q335 E419 L420 H425 D426 E427Q335-V423 HydrophobicContact CG-CG1 4.01Å; E419-V423 WeakPolarHBondContact O-CG2 3.43Å; E419-V423 PolarHBondContact O-N 2.86Å; E419-V423 VanDerWaalsContact O-N 3.07Å; L420-V423 PolarHBondContact O-N 3.25Å; V423-H425 VanDerWaalsContact C-N 3.34Å; V423-H425 PolarHBondContact O-N 2.82Å; V423-D426 PolarHBondContact O-N 2.92Å; V423-E427 HydrophobicContact CG1-CG 4.27Å; V423-E427 WeakPolarHBondContact O-CB 3.46Å; V423-E427 WeakPolarHBondContact O-CG 3.45Å; V423-E427 PolarHBondContact O-N 3.01Å
424M69.6Low74.7Confident13 Ų1354.9 Ų54.96%0.06428%0.284CS..Hα-helixtrans-65.8-31.3174.5-74.7174.845.400113.5Y334 V338 I386 L420 R422 V428Y334-M424 HydrophobicContact CD1-CE 4.4Å; Y334-M424 HydrophobicContact CD1-SD 4.19Å; V338-M424 HydrophobicContact CG1-CB 4.43Å; V338-M424 WeakPolarHBondContact CG1-O 3.36Å; V338-M424 HydrophobicContact CG2-CB 4.4Å; V338-M424 HydrophobicContact CG2-CE 3.89Å; V338-M424 HydrophobicContact CG2-CG 3.99Å; V338-M424 HydrophobicContact CG2-SD 4.38Å; I386-M424 HydrophobicContact CB-CE 4.3Å; I386-M424 HydrophobicContact CB-SD 4.25Å; I386-M424 HydrophobicContact CG1-CE 4.16Å; I386-M424 HydrophobicContact CG1-SD 3.91Å; I386-M424 HydrophobicContact CG2-SD 4.39Å; L420-M424 HydrophobicContact CD1-CG 3.98Å; L420-M424 HydrophobicContact CD1-SD 3.99Å; L420-M424 HydrophobicContact CD2-SD 3.98Å; L420-M424 HydrophobicContact CG-CG 4.14Å; L420-M424 HydrophobicContact CG-SD 3.64Å; L420-M424 WeakPolarHBondContact O-CB 3.31Å; L420-M424 WeakPolarHBondContact O-CG 3.49Å; L420-M424 PolarHBondContact O-N 2.87Å; R422-M424 VanDerWaalsContact C-N 3.26Å; R422-M424 PolarHBondContact O-N 2.88Å; R422-M424 VanDerWaalsContact O-N 3.16Å; M424-V428 VanDerWaalsContact O-CG2 3.28Å; M424-V428 WeakPolarHBondContact O-CG2 3.23Å; M424-V428 PolarHBondContact O-N 3.38Å
425H69.9Low73.9Confident136 Ų13658.9 Ų58.963%0.6330%0.298SS*.Hα-helixtrans-77.5-42.3175.6-170.371000111.2S421 R422 V423 V428 S429S421-H425 WeakPolarHBondContact O-CB 3.49Å; S421-H425 PolarHBondContact O-N 3.42Å; R422-H425 CarbonylContact O-C 3.6Å; R422-H425 WeakPolarHBondContact O-CA 3.15Å; R422-H425 WeakPolarHBondContact O-CB 3.39Å; R422-H425 PolarHBondContact O-N 3.18Å; V423-H425 VanDerWaalsContact C-N 3.34Å; V423-H425 PolarHBondContact O-N 2.82Å; H425-V428 PolarHBondContact O-N 3.35Å; H425-S429 PolarHBondContact O-N 3.32Å
426D70.4Confident73.4Confident83 Ų8360.2 Ų60.244%0.44430%0.297SS..Hα-helixtrans-62.3-46.5178.3-56.1-31.6000110.5R422 V423 V428 S429 D430R422-D426 VanDerWaalsContact C-OD2 3.27Å; R422-D426 PolarHBondContact O-N 3.47Å; R422-D426 VanDerWaalsContact O-OD2 3.09Å; V423-D426 PolarHBondContact O-N 2.92Å; D426-V428 VanDerWaalsContact C-N 3.33Å; D426-V428 PolarHBondContact O-N 2.91Å; D426-S429 CarbonylContact O-C 3.55Å; D426-S429 WeakPolarHBondContact O-CA 3.48Å; D426-S429 WeakPolarHBondContact O-CB 3.48Å; D426-S429 PolarHBondContact O-N 3.41Å; D426-S429 VanDerWaalsContact O-N 3.09Å; D426-D430 PolarHBondContact O-N 3.04Å
427E68.6Low73.3Confident36 Ų3657.6 Ų57.617%0.16829%0.286CS..Hα-helixtrans-61.5-34.8175.5-73.1-91.5-171.200113.4Q335 V338 R339 V423 T431Q335-E427 HydrophobicContact CG-CG 4.1Å; Q335-E427 WeakPolarHBondContact CG-OE1 3.02Å; Q335-E427 PolarHBondContact NE2-OE1 3.26Å; V338-E427 HydrophobicContact CG1-CB 4.48Å; R339-E427 WeakPolarHBondContact CD-OE2 3.4Å; R339-E427 VanDerWaalsContact CG-OE2 3.32Å; R339-E427 WeakPolarHBondContact CG-OE2 2.98Å; V423-E427 HydrophobicContact CG1-CG 4.27Å; V423-E427 WeakPolarHBondContact O-CB 3.46Å; V423-E427 WeakPolarHBondContact O-CG 3.45Å; V423-E427 PolarHBondContact O-N 3.01Å; E427-T431 VanDerWaalsContact O-CB 3.29Å; E427-T431 WeakPolarHBondContact O-CB 3.06Å; E427-T431 PolarHBondContact O-N 3.38Å; E427-T431 PolarHBondContact O-OG1 3.08Å
428V66.1Low73.1Confident59 Ų5959.7 Ų59.736%0.35830%0.297SS..Hα-helixtrans-69.5-41.1173.1169.90000110.7V338 M383 M424 H425 D426 T431 E432V338-V428 HydrophobicContact CG1-CG2 3.48Å; V338-V428 VanDerWaalsContact CG1-CG2 3.48Å; M383-V428 HydrophobicContact CE-CG2 3.8Å; M424-V428 VanDerWaalsContact O-CG2 3.28Å; M424-V428 WeakPolarHBondContact O-CG2 3.23Å; M424-V428 PolarHBondContact O-N 3.38Å; H425-V428 PolarHBondContact O-N 3.35Å; D426-V428 VanDerWaalsContact C-N 3.33Å; D426-V428 PolarHBondContact O-N 2.91Å; V428-T431 PolarHBondContact O-N 3.43Å; V428-E432 WeakPolarHBondContact O-CB 3.27Å; V428-E432 PolarHBondContact O-N 2.96Å
429S64.9Low72.9Confident69 Ų6959.5 Ų59.548%0.48330%0.303SS..Hα-helixtrans-61.7-47.3175.5-175.80000111.3H425 D426 T431 E432 N433H425-S429 PolarHBondContact O-N 3.32Å; D426-S429 CarbonylContact O-C 3.55Å; D426-S429 WeakPolarHBondContact O-CA 3.48Å; D426-S429 WeakPolarHBondContact O-CB 3.48Å; D426-S429 PolarHBondContact O-N 3.41Å; D426-S429 VanDerWaalsContact O-N 3.09Å; S429-T431 PolarHBondContact O-N 3.2Å; S429-E432 PolarHBondContact O-N 3.32Å; S429-N433 WeakPolarHBondContact O-CB 3.21Å; S429-N433 PolarHBondContact O-N 2.86Å
430D65.4Low72.9Confident80 Ų8056.5 Ų56.543%0.42829%0.29SS..Hα-helixtrans-64.5-40.2178.5-75.7-14.2000112D426 N433 I434D426-D430 PolarHBondContact O-N 3.04Å; D430-N433 WeakPolarHBondContact O-CB 3.19Å; D430-N433 PolarHBondContact O-N 3.11Å; D430-I434 WeakPolarHBondContact O-CG1 3.47Å; D430-I434 PolarHBondContact O-N 2.86Å
431T64.6Low73.2Confident38 Ų3858.2 Ų58.223%0.23330%0.298CS..Hα-helixtrans-64.2-45176.1-59.80000111.8Q342 E427 V428 S429 N433 R435Q342-T431 HydrophobicContact CB-CG2 4.13Å; E427-T431 VanDerWaalsContact O-CB 3.29Å; E427-T431 WeakPolarHBondContact O-CB 3.06Å; E427-T431 PolarHBondContact O-N 3.38Å; E427-T431 PolarHBondContact O-OG1 3.08Å; V428-T431 PolarHBondContact O-N 3.43Å; S429-T431 PolarHBondContact O-N 3.2Å; T431-N433 VanDerWaalsContact C-N 3.33Å; T431-R435 PolarHBondContact O-N 3.37Å; T431-R435 VanDerWaalsContact O-N 3.12Å
432E67.6Low73.2Confident60 Ų6065.9 Ų65.928%0.2832%0.321SS..Hα-helixtrans-68.7-31.9175172.357.8-167.100112.1V428 S429 R435 K436V428-E432 WeakPolarHBondContact O-CB 3.27Å; V428-E432 PolarHBondContact O-N 2.96Å; S429-E432 PolarHBondContact O-N 3.32Å; E432-R435 VanDerWaalsContact CD-NH2 3.29Å; E432-R435 WeakPolarHBondContact O-CB 3.3Å; E432-R435 PolarHBondContact O-N 3.27Å; E432-R435 IonicContact OE1-CZ 3.87Å; E432-R435 IonicContact OE1-NE 3.79Å; E432-R435 IonicContact OE1-NH2 2.71Å; E432-R435 PolarHBondContact OE1-NH2 3.45Å; E432-R435 IonicContact OE2-CZ 2.67Å; E432-R435 VanDerWaalsContact OE2-CZ 3.31Å; E432-R435 IonicContact OE2-NE 2.68Å; E432-R435 PolarHBondContact OE2-NE 3.44Å; E432-R435 IonicContact OE2-NH2 2.62Å; E432-R435 PolarHBondContact OE2-NH2 3.15Å; E432-R435 VanDerWaalsContact OE2-NH2 3.08Å; E432-K436 HydrophobicContact CG-CD 4.45Å; E432-K436 WeakPolarHBondContact O-CG 3.48Å; E432-K436 PolarHBondContact O-N 2.64Å; E432-K436 WeakPolarHBondContact OE1-CE 3.5Å; E432-K436 IonicContact OE1-NZ 2.69Å
433N70.3Confident73.3Confident11 Ų1163.9 Ų63.96%0.05932%0.318CS..Hα-helixtrans-65.9-50.3174.5172.768000112.1S429 D430 T431 R435 K436 N437 Q456 T457 F458S429-N433 WeakPolarHBondContact O-CB 3.21Å; S429-N433 PolarHBondContact O-N 2.86Å; D430-N433 WeakPolarHBondContact O-CB 3.19Å; D430-N433 PolarHBondContact O-N 3.11Å; T431-N433 VanDerWaalsContact C-N 3.33Å; N433-R435 PolarHBondContact O-N 3.05Å; N433-K436 WeakPolarHBondContact O-CA 3.44Å; N433-K436 WeakPolarHBondContact O-CB 3.27Å; N433-K436 PolarHBondContact O-N 2.99Å; N433-N437 PolarHBondContact O-N 3.47Å; N433-N437 PolarHBondContact O-OD1 2.77Å; N433-Q456 PolarHBondContact ND2-O 3.08Å; N433-T457 WeakPolarHBondContact OD1-CA 3.46Å; N433-F458 PolarHBondContact OD1-N 3.44Å
434I71.7Confident73.9Confident60 Ų6061.9 Ų61.931%0.30831%0.306SS..Hα-helixtrans-56.4-40.3173.9-68.9164000110D430 K436 N437 L438 T454D430-I434 WeakPolarHBondContact O-CG1 3.47Å; D430-I434 PolarHBondContact O-N 2.86Å; I434-K436 PolarHBondContact O-N 3.36Å; I434-N437 PolarHBondContact O-N 3.19Å; I434-L438 HydrophobicContact CG2-CD1 3.97Å; I434-L438 WeakPolarHBondContact O-CB 3.4Å; I434-L438 WeakPolarHBondContact O-CG 3.19Å; I434-L438 PolarHBondContact O-N 2.97Å; I434-T454 HydrophobicContact CD1-CG2 4.02Å; I434-T454 HydrophobicContact CG1-CG2 4.37Å
435R71.7Confident74.5Confident120 Ų12064.7 Ų64.745%0.45332%0.323SS..Hα-helixtrans-64.2-37175.5-161.8-166.766.573.34.2113.1T431 E432 N433 A439T431-R435 PolarHBondContact O-N 3.37Å; T431-R435 VanDerWaalsContact O-N 3.12Å; E432-R435 VanDerWaalsContact CD-NH2 3.29Å; E432-R435 WeakPolarHBondContact O-CB 3.3Å; E432-R435 PolarHBondContact O-N 3.27Å; E432-R435 IonicContact OE1-CZ 3.87Å; E432-R435 IonicContact OE1-NE 3.79Å; E432-R435 IonicContact OE1-NH2 2.71Å; E432-R435 PolarHBondContact OE1-NH2 3.45Å; E432-R435 IonicContact OE2-CZ 2.67Å; E432-R435 VanDerWaalsContact OE2-CZ 3.31Å; E432-R435 IonicContact OE2-NE 2.68Å; E432-R435 PolarHBondContact OE2-NE 3.44Å; E432-R435 IonicContact OE2-NH2 2.62Å; E432-R435 PolarHBondContact OE2-NH2 3.15Å; E432-R435 VanDerWaalsContact OE2-NH2 3.08Å; N433-R435 PolarHBondContact O-N 3.05Å; R435-A439 WeakPolarHBondContact O-CB 3.35Å; R435-A439 PolarHBondContact O-N 2.82Å
436K76.6Confident74.8Confident85 Ų8564 Ų6437%0.3732%0.32SS..Hα-helixtrans-67.2-45.6173.7-75.2165.1-179.2159.70111.6E432 N433 I434 L438 A439 I440 F458E432-K436 HydrophobicContact CG-CD 4.45Å; E432-K436 WeakPolarHBondContact O-CG 3.48Å; E432-K436 PolarHBondContact O-N 2.64Å; E432-K436 WeakPolarHBondContact OE1-CE 3.5Å; E432-K436 IonicContact OE1-NZ 2.69Å; N433-K436 WeakPolarHBondContact O-CA 3.44Å; N433-K436 WeakPolarHBondContact O-CB 3.27Å; N433-K436 PolarHBondContact O-N 2.99Å; I434-K436 PolarHBondContact O-N 3.36Å; K436-L438 PolarHBondContact O-N 3.23Å; K436-A439 WeakPolarHBondContact O-CB 3.48Å; K436-A439 PolarHBondContact O-N 3.49Å; K436-A439 VanDerWaalsContact O-N 3.08Å; K436-I440 WeakPolarHBondContact O-CG1 3.37Å; K436-I440 PolarHBondContact O-N 2.84Å; K436-F458 HydrophobicContact CD-CD1 4.35Å
437N80.2Confident75.1Confident2 Ų261 Ų611%0.01131%0.31CS..Hα-helixtrans-57-49.7176.5-65.71.8000110.8N433 I434 A439 I440 E441 L451 Q456 F496N433-N437 PolarHBondContact O-N 3.47Å; N433-N437 PolarHBondContact O-OD1 2.77Å; I434-N437 PolarHBondContact O-N 3.19Å; N437-A439 VanDerWaalsContact C-N 3.27Å; N437-A439 PolarHBondContact O-N 2.99Å; N437-I440 PolarHBondContact O-N 2.83Å; N437-E441 WeakPolarHBondContact O-CB 3.34Å; N437-E441 PolarHBondContact O-N 2.82Å; N437-L451 HydrophobicContact CB-CB 4.4Å; N437-L451 WeakPolarHBondContact CB-O 3.29Å; N437-Q456 PolarHBondContact ND2-O 2.83Å; N437-F496 WeakPolarHBondContact OD1-CE1 3.49Å
438L78.8Confident75.6Confident56 Ų5659.7 Ų59.729%0.29330%0.304SS..Hα-helixtrans-65-25.1176.3-69.5171.4000113.8I434 K436 R442 L452I434-L438 HydrophobicContact CG2-CD1 3.97Å; I434-L438 WeakPolarHBondContact O-CB 3.4Å; I434-L438 WeakPolarHBondContact O-CG 3.19Å; I434-L438 PolarHBondContact O-N 2.97Å; K436-L438 PolarHBondContact O-N 3.23Å; L438-R442 VanDerWaalsContact O-CD 3.31Å; L438-R442 WeakPolarHBondContact O-CD 3.17Å; L438-R442 WeakPolarHBondContact O-CG 3.41Å; L438-R442 PolarHBondContact O-N 2.84Å; L438-L452 HydrophobicContact CD2-CD2 3.77Å
439A80.3Confident76.2Confident44 Ų4463.3 Ų63.336%0.36432%0.322SS..Hα-helixtrans-76.1-37.8173.600000112R435 K436 N437 M443R435-A439 WeakPolarHBondContact O-CB 3.35Å; R435-A439 PolarHBondContact O-N 2.82Å; K436-A439 WeakPolarHBondContact O-CB 3.48Å; K436-A439 PolarHBondContact O-N 3.49Å; K436-A439 VanDerWaalsContact O-N 3.08Å; N437-A439 VanDerWaalsContact C-N 3.27Å; N437-A439 PolarHBondContact O-N 2.99Å; A439-M443 WeakPolarHBondContact O-CG 3.44Å
440I83.4Confident76.9Confident13 Ų1362.2 Ų62.27%0.06731%0.31CS..Hα-helixtrans-71.9-41.9176.5-64.6165.7000110.5K436 N437 R442 M443 I444 L451 F458 F494 F496K436-I440 WeakPolarHBondContact O-CG1 3.37Å; K436-I440 PolarHBondContact O-N 2.84Å; N437-I440 PolarHBondContact O-N 2.83Å; I440-R442 PolarHBondContact O-N 2.93Å; I440-M443 WeakPolarHBondContact O-CB 3.38Å; I440-M443 PolarHBondContact O-N 3.41Å; I440-I444 PolarHBondContact O-N 3.45Å; I440-L451 HydrophobicContact CB-CD1 4.24Å; I440-L451 HydrophobicContact CG2-CD1 3.9Å; I440-F458 HydrophobicContact CD1-CD2 3.69Å; I440-F458 HydrophobicContact CD1-CE2 3.88Å; I440-F458 HydrophobicContact CD1-CG 4.45Å; I440-F494 HydrophobicContact CD1-CD1 3.98Å; I440-F494 HydrophobicContact CD1-CE1 4.26Å; I440-F494 HydrophobicContact CG1-CD1 4.42Å; I440-F494 HydrophobicContact CG1-CE1 4.25Å; I440-F494 HydrophobicContact CG2-CD1 4.14Å; I440-F494 HydrophobicContact CG2-CD2 4.47Å; I440-F494 HydrophobicContact CG2-CE1 4.1Å; I440-F494 HydrophobicContact CG2-CE2 4.43Å; I440-F494 HydrophobicContact CG2-CG 4.33Å; I440-F494 HydrophobicContact CG2-CZ 4.24Å; I440-F496 HydrophobicContact CD1-CE1 4.19Å; I440-F496 HydrophobicContact CD1-CZ 3.77Å; I440-F496 HydrophobicContact CG2-CZ 4.31Å
441E83.3Confident77.4Confident45 Ų4558.6 Ų58.621%0.2129%0.29CS..Hα-helixtrans-52.8-52.1174-175.2-77.3142.300111N437 M443 I444 L451 L452N437-E441 WeakPolarHBondContact O-CB 3.34Å; N437-E441 PolarHBondContact O-N 2.82Å; E441-M443 PolarHBondContact O-N 2.85Å; E441-I444 WeakPolarHBondContact O-CB 3.41Å; E441-I444 PolarHBondContact O-N 3.04Å; E441-L451 HydrophobicContact CB-CB 4.19Å; E441-L451 HydrophobicContact CB-CD1 4.14Å; E441-L452 HydrophobicContact CG-CD2 4.37Å
442R81.6Confident77.9Confident197 Ų19761.3 Ų61.374%0.74330%0.303SS*.THydrogen-bonded Turntrans-63.2-13.6177.7-69.2170.8-172.3-176.32.7115.3L438 I440L438-R442 VanDerWaalsContact O-CD 3.31Å; L438-R442 WeakPolarHBondContact O-CD 3.17Å; L438-R442 WeakPolarHBondContact O-CG 3.41Å; L438-R442 PolarHBondContact O-N 2.84Å; I440-R442 PolarHBondContact O-N 2.93Å
443M81.4Confident78Confident87 Ų8760.9 Ų60.943%0.42930%0.303SS..THydrogen-bonded Turntrans-85.2-19.7172.2-69.5179.763.300112.5A439 I440 E441 L511A439-M443 WeakPolarHBondContact O-CG 3.44Å; I440-M443 WeakPolarHBondContact O-CB 3.38Å; I440-M443 PolarHBondContact O-N 3.41Å; E441-M443 PolarHBondContact O-N 2.85Å; M443-L511 HydrophobicContact CB-CD1 3.95Å; M443-L511 HydrophobicContact CB-CG 4.34Å; M443-L511 HydrophobicContact CE-CD1 4.15Å; M443-L511 HydrophobicContact CE-CG 4.48Å; M443-L511 WeakPolarHBondContact O-CB 3.34Å; M443-L511 PolarHBondContact O-N 3.07Å
444I85.6Confident77.4Confident6 Ų665.1 Ų65.13%0.03133%0.329CS..BIsolated β-bridgetrans-88.5119.5179.2-60.7168.3000109I440 E441 E446 G447 C448 L451 L501 L511 L513I440-I444 PolarHBondContact O-N 3.45Å; E441-I444 WeakPolarHBondContact O-CB 3.41Å; E441-I444 PolarHBondContact O-N 3.04Å; I444-E446 PolarHBondContact O-N 2.89Å; I444-G447 WeakPolarHBondContact CG2-O 3.26Å; I444-G447 PolarHBondContact O-N 3.22Å; I444-C448 HydrophobicContact CD1-CB 3.82Å; I444-L451 HydrophobicContact CD1-CD1 4.38Å; I444-L501 HydrophobicContact CD1-CD1 4.38Å; I444-L511 WeakPolarHBondContact CA-O 3.34Å; I444-L511 HydrophobicContact CG1-CB 4.2Å; I444-L513 HydrophobicContact CD1-CD2 4.45Å; I444-L513 HydrophobicContact CG2-CD1 3.96Å; I444-L513 HydrophobicContact CG2-CG 3.91Å
445V81.8Confident77Confident71 Ų7165.4 Ų65.443%0.4334%0.336SS..THydrogen-bonded Turntrans-66.8-26.9-172.5-175.60000113.3K510 L511V445-K510 HydrophobicContact CG2-CB 3.61Å; V445-K510 HydrophobicContact CG2-CD 3.83Å; V445-K510 HydrophobicContact CG2-CG 4.19Å; V445-L511 WeakPolarHBondContact CG2-O 3.39Å; V445-L511 PolarHBondContact N-O 2.75Å
446E77.1Confident77Confident122 Ų12259.7 Ų59.757%0.5732%0.315SS*.THydrogen-bonded Turntrans-94.50.5-176.3-72.3143.9-141.700112.9I444 H512I444-E446 PolarHBondContact O-N 2.89Å; E446-H512 IonicContact OE1-CE1 3.63Å; E446-H512 IonicContact OE1-CG 3.01Å; E446-H512 IonicContact OE1-ND1 3.61Å; E446-H512 PolarHBondContact OE1-ND1 2.82Å
447G75.4Confident77.1Confident21 Ų2157.9 Ų57.922%0.21631%0.311CS..  trans74.1174.3-169.100000112.7I444I444-G447 WeakPolarHBondContact CG2-O 3.26Å; I444-G447 PolarHBondContact O-N 3.22Å
448C81Confident77.4Confident8 Ų860.2 Ų60.25%0.05432%0.321CS..  trans-157.986174.3-164.70000110.8I444 I450 L451 L513I444-C448 HydrophobicContact CD1-CB 3.82Å; C448-I450 PolarHBondContact O-N 3.08Å; C448-I450 VanDerWaalsContact O-N 3.08Å; C448-I450 VanDerWaalsContact SG-CG1 3.56Å; C448-L451 HydrophobicContact CB-CD1 4.07Å; C448-L451 HydrophobicContact CB-CG 4.15Å; C448-L451 WeakPolarHBondContact O-CB 3.49Å; C448-L451 PolarHBondContact O-N 3.17Å; C448-L513 HydrophobicContact CB-CD1 4.41Å
449D77.6Confident77.7Confident135 Ų13560.2 Ų60.272%0.72232%0.323SS*.G310 helixtrans-55.8-31.6-169.6-61.9-39.2000114.3L451 L452D449-L451 PolarHBondContact O-N 2.88Å; D449-L452 VanDerWaalsContact O-CB 3.25Å; D449-L452 WeakPolarHBondContact O-CB 3.22Å; D449-L452 PolarHBondContact O-N 2.92Å
450I79.3Confident78.1Confident46 Ų4661 Ų6124%0.23632%0.317CS..G310 helixtrans-64.9-16.3176.456160.4000113.9C448 L452 Q456 H499 L501 V519C448-I450 PolarHBondContact O-N 3.08Å; C448-I450 VanDerWaalsContact O-N 3.08Å; C448-I450 VanDerWaalsContact SG-CG1 3.56Å; I450-L452 VanDerWaalsContact C-N 3.29Å; I450-Q456 PolarHBondContact O-NE2 3.03Å; I450-H499 HydrophobicContact CD1-CB 3.81Å; I450-L501 HydrophobicContact CD1-CD2 3.6Å; I450-V519 HydrophobicContact CD1-CG1 3.42Å; I450-V519 VanDerWaalsContact CD1-CG1 3.42Å
451L77.2Confident78.4Confident3 Ų366 Ų662%0.01634%0.34CS..G310 helixtrans-83.9-5.7172.2-61.2-174.2000112.9N437 I440 E441 I444 C448 D449 F496 L501N437-L451 HydrophobicContact CB-CB 4.4Å; N437-L451 WeakPolarHBondContact CB-O 3.29Å; I440-L451 HydrophobicContact CB-CD1 4.24Å; I440-L451 HydrophobicContact CG2-CD1 3.9Å; E441-L451 HydrophobicContact CB-CB 4.19Å; E441-L451 HydrophobicContact CB-CD1 4.14Å; I444-L451 HydrophobicContact CD1-CD1 4.38Å; C448-L451 HydrophobicContact CB-CD1 4.07Å; C448-L451 HydrophobicContact CB-CG 4.15Å; C448-L451 WeakPolarHBondContact O-CB 3.49Å; C448-L451 PolarHBondContact O-N 3.17Å; D449-L451 PolarHBondContact O-N 2.88Å; L451-F496 HydrophobicContact CD1-CZ 4.22Å; L451-F496 HydrophobicContact CD2-CD1 3.98Å; L451-F496 HydrophobicContact CD2-CD2 4.02Å; L451-F496 HydrophobicContact CD2-CE1 3.59Å; L451-F496 HydrophobicContact CD2-CE2 3.64Å; L451-F496 HydrophobicContact CD2-CG 4.19Å; L451-F496 HydrophobicContact CD2-CZ 3.41Å; L451-F496 VanDerWaalsContact CD2-CZ 3.41Å; L451-F496 HydrophobicContact CG-CZ 4.48Å; L451-L501 HydrophobicContact CD1-CD1 4.01Å; L451-L501 HydrophobicContact CD2-CD1 4.19Å; L451-L501 HydrophobicContact CG-CD1 4.32Å
452L73.9Confident78.7Confident96 Ų9664.6 Ų64.650%0.50334%0.338SS..SBendtrans-87.3-10.6170.8-49.6177.9000112.1L438 E441 D449 I450 T454L438-L452 HydrophobicContact CD2-CD2 3.77Å; E441-L452 HydrophobicContact CG-CD2 4.37Å; D449-L452 VanDerWaalsContact O-CB 3.25Å; D449-L452 WeakPolarHBondContact O-CB 3.22Å; D449-L452 PolarHBondContact O-N 2.92Å; I450-L452 VanDerWaalsContact C-N 3.29Å; L452-T454 PolarHBondContact O-N 2.86Å
453D70.7Confident79Confident51 Ų5157.2 Ų57.227%0.27332%0.317SS..  trans-67.6109.9168.3175.211.2000109.9S455 Q456 K498D453-S455 VanDerWaalsContact CG-OG 3.27Å; D453-S455 PolarHBondContact O-N 3.41Å; D453-S455 VanDerWaalsContact O-N 3.13Å; D453-S455 WeakPolarHBondContact OD1-CA 3.03Å; D453-S455 WeakPolarHBondContact OD1-CB 3.26Å; D453-S455 PolarHBondContact OD1-N 2.72Å; D453-S455 PolarHBondContact OD1-OG 2.75Å; D453-S455 PolarHBondContact OD2-OG 3.32Å; D453-Q456 HydrophobicContact CB-CG 4.21Å; D453-Q456 PolarHBondContact O-N 2.81Å; D453-Q456 VanDerWaalsContact O-N 3.1Å; D453-K498 IonicContact OD1-NZ 3.81Å; D453-K498 IonicContact OD2-NZ 3.39Å; D453-K498 PolarHBondContact OD2-NZ 3.22Å
454T57.1Low79.3Confident100 Ų10053.1 Ų53.161%0.61330%0.296SS*.THydrogen-bonded Turntrans-63.2-16.1178.552.90000113.7I434 L452I434-T454 HydrophobicContact CD1-CG2 4.02Å; I434-T454 HydrophobicContact CG1-CG2 4.37Å; L452-T454 PolarHBondContact O-N 2.86Å
455S62.5Low79.4Confident65 Ų6555.2 Ų55.246%0.45531%0.307SS..THydrogen-bonded Turntrans-94.78.9177680000114D453 K498D453-S455 VanDerWaalsContact CG-OG 3.27Å; D453-S455 PolarHBondContact O-N 3.41Å; D453-S455 VanDerWaalsContact O-N 3.13Å; D453-S455 WeakPolarHBondContact OD1-CA 3.03Å; D453-S455 WeakPolarHBondContact OD1-CB 3.26Å; D453-S455 PolarHBondContact OD1-N 2.72Å; D453-S455 PolarHBondContact OD1-OG 2.75Å; D453-S455 PolarHBondContact OD2-OG 3.32Å; S455-K498 PolarHBondContact OG-NZ 2.93Å
456Q72.1Confident79.5Confident0 Ų053.5 Ų53.50%029%0.294CS..  trans-90.4129.1162.5-74.6-138.793.200111.4N433 N437 I450 D453 K498 H499N433-Q456 PolarHBondContact ND2-O 3.08Å; N437-Q456 PolarHBondContact ND2-O 2.83Å; I450-Q456 PolarHBondContact O-NE2 3.03Å; D453-Q456 HydrophobicContact CB-CG 4.21Å; D453-Q456 PolarHBondContact O-N 2.81Å; D453-Q456 VanDerWaalsContact O-N 3.1Å; Q456-K498 HydrophobicContact CG-CB 4.4Å; Q456-K498 HydrophobicContact CG-CD 4.22Å; Q456-K498 HydrophobicContact CG-CG 4.37Å; Q456-H499 PolarHBondContact NE2-ND1 3.27Å; Q456-H499 VanDerWaalsContact NE2-ND1 3.14Å; Q456-H499 PolarHBondContact OE1-ND1 3.2Å
457T79.9Confident79.7Confident48 Ų4850.7 Ų50.729%0.29428%0.283SS..  trans-107.8138.1171.662.30000111.9N433 F496 T497N433-T457 WeakPolarHBondContact OD1-CA 3.46Å; T457-F496 CarbonylContact O-C 3.6Å; T457-F496 WeakPolarHBondContact O-CA 3.3Å; T457-T497 PolarHBondContact N-OG1 3.45Å; T457-T497 PolarHBondContact O-N 3.48Å; T457-T497 PolarHBondContact O-OG1 3.31Å; T457-T497 WeakPolarHBondContact OG1-CG2 3.4Å; T457-T497 PolarHBondContact OG1-OG1 3.22Å
458F84.9Confident79.3Confident51 Ų5154.5 Ų54.522%0.22430%0.304CS..EExtended strand (participates in β ladder)trans-76.1127.1176.8170.3-97.4000111.1N433 K436 I440 R460 Q461 F494 F496N433-F458 PolarHBondContact OD1-N 3.44Å; K436-F458 HydrophobicContact CD-CD1 4.35Å; I440-F458 HydrophobicContact CD1-CD2 3.69Å; I440-F458 HydrophobicContact CD1-CE2 3.88Å; I440-F458 HydrophobicContact CD1-CG 4.45Å; F458-R460 WeakPolarHBondContact CE2-O 3.19Å; F458-R460 VanDerWaalsContact CZ-C 3.48Å; F458-Q461 HydrophobicContact CE2-CB 3.99Å; F458-Q461 HydrophobicContact CZ-CB 3.8Å; F458-Q461 HydrophobicContact CZ-CG 3.94Å; F458-F494 HydrophobicContact CE2-CD1 4.24Å; F458-F496 HydrophobicContact CB-CD1 3.98Å; F458-F496 HydrophobicContact CB-CE1 3.86Å; F458-F496 HydrophobicContact CD2-CD1 4.31Å; F458-F496 AromaticContact CD2-CE1 3.79Å; F458-F496 HydrophobicContact CD2-CE1 3.79Å; F458-F496 HydrophobicContact CD2-CZ 4.03Å; F458-F496 HydrophobicContact CG-CE1 4.32Å
459V85.2Confident78Confident56 Ų5658.2 Ų58.234%0.33933%0.33SS..EExtended strand (participates in β ladder)trans-108.7-54.6-175.3-175.30000111.6L495 T497 D580V459-L495 HydrophobicContact CB-CB 4.38Å; V459-L495 HydrophobicContact CB-CD2 4.08Å; V459-L495 HydrophobicContact CB-CG 3.96Å; V459-L495 WeakPolarHBondContact CB-O 3.4Å; V459-L495 HydrophobicContact CG1-CD2 3.87Å; V459-L495 HydrophobicContact CG1-CG 4.31Å; V459-L495 HydrophobicContact CG2-CG 4.45Å; V459-L495 PolarHBondContact N-O 3.13Å; V459-T497 HydrophobicContact CG2-CG2 3.88Å; V459-D580 HydrophobicContact CG1-CB 4.35Å
460R89.1Confident76.6Confident60 Ų6057.6 Ų57.623%0.22633%0.331CS..EExtended strand (participates in β ladder)trans-148.3149.8-174.5-173.2176.8-70.9-99.4-4.1112.6F458 F494 L495 W577 D580F458-R460 WeakPolarHBondContact CE2-O 3.19Å; F458-R460 VanDerWaalsContact CZ-C 3.48Å; R460-F494 CarbonylContact O-C 3.58Å; R460-F494 WeakPolarHBondContact O-CA 3.38Å; R460-L495 HydrophobicContact CB-CB 4.19Å; R460-L495 PolarHBondContact N-O 2.97Å; R460-L495 PolarHBondContact O-N 2.93Å; R460-W577 HydrophobicContact CB-CH2 4.17Å; R460-W577 HydrophobicContact CB-CZ3 4.12Å; R460-W577 VanDerWaalsContact CD-CE2 3.44Å; R460-W577 HydrophobicContact CG-CD2 4.45Å; R460-W577 HydrophobicContact CG-CE3 4.32Å; R460-W577 HydrophobicContact CG-CH2 3.62Å; R460-W577 HydrophobicContact CG-CZ2 3.72Å; R460-W577 HydrophobicContact CG-CZ3 3.91Å; R460-D580 IonicContact CZ-OD2 2.71Å; R460-D580 IonicContact NE-OD2 3.75Å; R460-D580 PolarHBondContact NE-OD2 3.5Å; R460-D580 IonicContact NH2-OD1 2.65Å; R460-D580 IonicContact NH2-OD2 3.73Å; R460-D580 PolarHBondContact NH2-OD2 3.32Å
461Q90.6Very high74.7Confident117 Ų11763.8 Ų63.855%0.54736%0.359SS..EExtended strand (participates in β ladder)trans-130.4151.816565.9-179.4-20.700110.6F458 C493 F494F458-Q461 HydrophobicContact CE2-CB 3.99Å; F458-Q461 HydrophobicContact CZ-CB 3.8Å; F458-Q461 HydrophobicContact CZ-CG 3.94Å; Q461-C493 WeakPolarHBondContact CA-O 3.28Å; Q461-F494 HydrophobicContact CB-CD1 3.69Å; Q461-F494 HydrophobicContact CB-CE1 3.93Å
462G89.1Confident72.9Confident17 Ų1776.2 Ų76.218%0.17541%0.405CS..EExtended strand (participates in β ladder)trans175.3-175.8170.800000113.3Q492 C493G462-Q492 PolarHBondContact O-NE2 3.32Å; G462-C493 PolarHBondContact N-O 3.24Å; G462-C493 VanDerWaalsContact N-O 3.07Å; G462-C493 PolarHBondContact O-N 3.24Å
463S87.4Confident71.3Confident42 Ų4274.6 Ų74.629%0.29441%0.412SS..EExtended strand (participates in β ladder)trans-102.2130.1178.3-172.20000110.9E490 R491S463-E490 VanDerWaalsContact OG-CD 3.31Å; S463-E490 WeakPolarHBondContact OG-CG 3.32Å; S463-E490 PolarHBondContact OG-OE1 3.31Å; S463-R491 WeakPolarHBondContact CA-O 3.4Å
464L88.3Confident69.4Low1 Ų181.9 Ų81.91%0.00544%0.441CS..EExtended strand (participates in β ladder)trans-130.9149176.4-65.7175.7000109.4R491 C493 F500 F550 L566 A568 W577L464-R491 PolarHBondContact N-O 3.39Å; L464-R491 PolarHBondContact O-N 3.19Å; L464-C493 HydrophobicContact CD1-CB 4.08Å; L464-F500 HydrophobicContact CD1-CZ 4.19Å; L464-F550 HydrophobicContact CD1-CE1 4.44Å; L464-F550 HydrophobicContact CD1-CZ 3.98Å; L464-L566 HydrophobicContact CD1-CB 4.41Å; L464-L566 HydrophobicContact CD1-CD1 4.05Å; L464-A568 HydrophobicContact CD2-CB 4.1Å; L464-W577 HydrophobicContact CD1-CD2 4.11Å; L464-W577 HydrophobicContact CD1-CE3 4.39Å; L464-W577 HydrophobicContact CD1-CG 4.47Å; L464-W577 HydrophobicContact CD2-CG 4.45Å
465I87.3Confident68.3Low49 Ų4985.6 Ų85.625%0.25146%0.456SS..EExtended strand (participates in β ladder)trans-97.7115.4176.9-61.1176.6000108.8L467 G489 L567I465-L467 HydrophobicContact CG2-CD2 4.43Å; I465-G489 WeakPolarHBondContact CA-O 3.2Å; I465-L567 HydrophobicContact CB-CB 4.29Å; I465-L567 HydrophobicContact CB-CD2 4.44Å; I465-L567 HydrophobicContact CD1-CD2 4.43Å; I465-L567 PolarHBondContact N-O 3.29Å; I465-L567 PolarHBondContact O-N 3.38Å
466Q83.6Confident66.8Low35 Ų3587.3 Ų87.316%0.16447%0.468CS..EExtended strand (participates in β ladder)trans-79.7124.7175.2-174.4-175.828.900109.9G489 R491 L514 L566Q466-G489 PolarHBondContact N-O 3.38Å; Q466-R491 HydrophobicContact CB-CG 3.73Å; Q466-L514 VanDerWaalsContact NE2-CD2 3.28Å; Q466-L514 VanDerWaalsContact OE1-CD2 3.29Å; Q466-L566 HydrophobicContact CB-CD2 4.08Å; Q466-L566 HydrophobicContact CG-CD2 4.27Å
467L81.3Confident65.4Low63 Ų6397.5 Ų97.533%0.3351%0.513SS..EExtended strand (participates in β ladder)trans-88144.8175.3-58.9-178.3000110.6I465 S469 V565I465-L467 HydrophobicContact CG2-CD2 4.43Å; L467-S469 PolarHBondContact O-N 3.46Å; L467-V565 HydrophobicContact CB-CB 4.26Å; L467-V565 HydrophobicContact CB-CG1 4.29Å; L467-V565 HydrophobicContact CD1-CG1 3.99Å; L467-V565 HydrophobicContact CG-CG1 4.45Å; L467-V565 PolarHBondContact N-O 2.72Å
468P67.7Low63.2Low102 Ų102101.2 Ų101.266%0.66254%0.535SS*.PPolyproline II helixtrans-62.2130.5176-21.533.2000111.5V470P468-V470 PolarHBondContact O-N 2.71Å
469S54.4Low60.9Low86 Ų86110.6 Ų110.660%0.60157%0.569SS**PPolyproline II helixtrans-67.4130.3171.9-172.70000110.1L467L467-S469 PolarHBondContact O-N 3.46Å
470V47.7Very low58.7Low121 Ų121114.5 Ų114.573%0.73359%0.587SS**  trans-105.4100.6179-179.70000108.6P468P468-V470 PolarHBondContact O-N 2.71Å
471E38Very low56.1Low177 Ų177114.1 Ų114.183%0.82760%0.602SS**  trans-60.1154.6168.7-68.4-167.5150.100111.4G473E471-G473 PolarHBondContact O-N 3.47Å
472R39.5Very low54Low263 Ų263114.2 Ų114.299%0.99262%0.616SS**SBendtrans-63.794.9-164.1-71.3-178.9175173.1-0.8114
473G40.1Very low51.5Low62 Ų62121.3 Ų121.364%0.63965%0.648SS**SBendtrans103.286.613900000118E471E471-G473 PolarHBondContact O-N 3.47Å
474K31.2Very low49.5Very low205 Ų205122.6 Ų122.689%0.89166%0.657SS**  trans-172113.3133.2-104.1156.5-174.1173.60111.2S476K474-S476 PolarHBondContact O-N 3.43Å
475L34.2Very low47.6Very low178 Ų178127 Ų12793%0.93268%0.681SS**  trans-83.795.8175.4-72.6172.3000111.4
476S30.8Very low45.9Very low100 Ų100132.6 Ų132.670%0.69970%0.703SS**  trans-81.5126.1158.654.70000109.8K474 V478K474-S476 PolarHBondContact O-N 3.43Å; S476-V478 PolarHBondContact O-N 2.97Å
477K43.2Very low44.3Very low215 Ų215140.2 Ų140.294%0.93574%0.736SS**  trans-64.699.4-179.7-73.4-179.3176.1177.10111.8
478V32.9Very low43Very low126 Ų126143.7 Ų143.776%0.76475%0.75SS**  trans-94.3131.7165.1-178.80000109.2S476 L480S476-V478 PolarHBondContact O-N 2.97Å; V478-L480 PolarHBondContact O-N 2.89Å
479R37.1Very low43Very low247 Ų247139.3 Ų139.393%0.93272%0.724SS**  trans-85.5104-172.7-164.7177-169.6169.41.6109.5G481R479-G481 PolarHBondContact O-N 3.27Å
480L40.2Very low44.2Very low138 Ų138140.3 Ų140.372%0.72372%0.719SS**  trans-67115.4-169-156.378.1000112.6V478 L485V478-L480 PolarHBondContact O-N 2.89Å; L480-L485 HydrophobicContact CD1-CD1 3.98Å; L480-L485 HydrophobicContact CD1-CD2 4.46Å
481G34.4Very low46.1Very low53 Ų53136.2 Ų136.255%0.54669%0.69SS.*  trans-83.4117.9172.700000111.4R479 L483R479-G481 PolarHBondContact O-N 3.27Å; G481-L483 PolarHBondContact O-N 3.11Å
482S45.4Very low48.6Very low119 Ų119129.4 Ų129.483%0.83266%0.658SS**THydrogen-bonded Turntrans-68.59.6-159.9-145.70000117.9
483L37.8Very low51.1Low165 Ų165116.9 Ų116.986%0.86461%0.611SS**THydrogen-bonded Turntrans-133.2-5.4-170.1-70.3174.3000116.8G481G481-L483 PolarHBondContact O-N 3.11Å
484S45.1Very low53.6Low69 Ų69114.1 Ų114.148%0.48358%0.582SS.*SBendtrans-88.2-50.2179.7-152.60000113.6K486 K487 E488S484-K486 PolarHBondContact O-N 2.84Å; S484-K487 PolarHBondContact O-N 2.92Å; S484-E488 PolarHBondContact OG-OE2 3.43Å
485L48.6Very low56.4Low95 Ų95104.4 Ų104.450%0.49754%0.539SS..Hα-helixtrans-56.3-32.4-167.4-88.780000114.4L480 K487 E488 G489L480-L485 HydrophobicContact CD1-CD1 3.98Å; L480-L485 HydrophobicContact CD1-CD2 4.46Å; L485-K487 PolarHBondContact O-N 3.13Å; L485-K487 VanDerWaalsContact O-N 3.13Å; L485-E488 PolarHBondContact O-N 2.76Å; L485-G489 PolarHBondContact O-N 2.9Å
486K50.3Low59.1Low165 Ų16595.9 Ų95.972%0.71750%0.495SS*.Hα-helixtrans-59.6-23178.7-77.7-165173.8-170.10113.7S484S484-K486 PolarHBondContact O-N 2.84Å
487K51.2Low61.5Low195 Ų19593 Ų9385%0.84847%0.473SS*.Hα-helixtrans-96.3-18.3-178.6-119.1-178.2179.7-177.60114.7S484 L485S484-K487 PolarHBondContact O-N 2.92Å; L485-K487 PolarHBondContact O-N 3.13Å; L485-K487 VanDerWaalsContact O-N 3.13Å
488E54.5Low63.4Low137 Ų13786.3 Ų86.364%0.6444%0.444SS*.Hα-helixtrans-106.2-23.3-179.7-69.1174.410800112.8S484 L485 R491S484-E488 PolarHBondContact OG-OE2 3.43Å; L485-E488 PolarHBondContact O-N 2.76Å; E488-R491 PolarHBondContact O-NH1 3.27Å; E488-R491 PolarHBondContact O-NH2 3.47Å
489G65.9Low66.1Low10 Ų1081.8 Ų81.810%0.10341%0.414CS..SBendtrans-87.5-16.317800000115.3I465 Q466 L485I465-G489 WeakPolarHBondContact CA-O 3.2Å; Q466-G489 PolarHBondContact N-O 3.38Å; L485-G489 PolarHBondContact O-N 2.9Å
490E80.3Confident68.8Low106 Ų10670 Ų7050%0.49537%0.37SS..EExtended strand (participates in β ladder)trans-68.3133.6-175.9-166.7173.4-164.400112.3S463S463-E490 VanDerWaalsContact OG-CD 3.31Å; S463-E490 WeakPolarHBondContact OG-CG 3.32Å; S463-E490 PolarHBondContact OG-OE1 3.31Å
491R88.1Confident71.2Confident36 Ų3663.5 Ų63.514%0.13634%0.336CS..EExtended strand (participates in β ladder)trans-129.9137.9178.4-57.7-62.6173.2-99.2-5.5110.3S463 L464 Q466 E488 V502 C503S463-R491 WeakPolarHBondContact CA-O 3.4Å; L464-R491 PolarHBondContact N-O 3.39Å; L464-R491 PolarHBondContact O-N 3.19Å; Q466-R491 HydrophobicContact CB-CG 3.73Å; E488-R491 PolarHBondContact O-NH1 3.27Å; E488-R491 PolarHBondContact O-NH2 3.47Å; R491-V502 HydrophobicContact CB-CG1 3.89Å; R491-V502 HydrophobicContact CG-CG1 3.7Å; R491-C503 CarbonylContact C-O 3.48Å; R491-C503 WeakPolarHBondContact CA-O 3.25Å
492Q89.7Confident73.8Confident34 Ų3461 Ų6116%0.15931%0.31CS..EExtended strand (participates in β ladder)trans-85.5112.1165.5-176.370.352.400107.4G462 F494 C503 L511G462-Q492 PolarHBondContact O-NE2 3.32Å; Q492-F494 HydrophobicContact CB-CE2 4.36Å; Q492-F494 HydrophobicContact CG-CD2 4.43Å; Q492-F494 HydrophobicContact CG-CE1 4.39Å; Q492-F494 HydrophobicContact CG-CE2 3.5Å; Q492-F494 VanDerWaalsContact CG-CE2 3.5Å; Q492-F494 HydrophobicContact CG-CZ 3.47Å; Q492-F494 VanDerWaalsContact CG-CZ 3.47Å; Q492-C503 HydrophobicContact CB-CB 4.39Å; Q492-C503 PolarHBondContact N-O 3.32Å; Q492-C503 WeakPolarHBondContact O-CB 3.44Å; Q492-C503 PolarHBondContact O-N 3.14Å; Q492-L511 HydrophobicContact CB-CD2 4.18Å; Q492-L511 HydrophobicContact CG-CD2 4.31Å
493C92.1Very high75.9Confident0 Ų055.3 Ų55.30%027%0.27CS..EExtended strand (participates in β ladder)trans-104.9146.4-179-64.10000111.5Q461 G462 L464 F500 L501 W577Q461-C493 WeakPolarHBondContact CA-O 3.28Å; G462-C493 PolarHBondContact N-O 3.24Å; G462-C493 VanDerWaalsContact N-O 3.07Å; G462-C493 PolarHBondContact O-N 3.24Å; L464-C493 HydrophobicContact CD1-CB 4.08Å; C493-F500 HydrophobicContact CB-CE1 4.39Å; C493-F500 HydrophobicContact CB-CE2 4.27Å; C493-F500 HydrophobicContact CB-CZ 3.79Å; C493-L501 VanDerWaalsContact CA-O 3.26Å; C493-L501 WeakPolarHBondContact CA-O 3.15Å; C493-W577 HydrophobicContact CB-CH2 4.23Å
494F92.4Very high78.3Confident4 Ų449.6 Ų49.62%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-134.4124.6177.6-56.2-91.8000109.7I440 F458 R460 Q461 Q492 F496 F500 L501 C503 L511I440-F494 HydrophobicContact CD1-CD1 3.98Å; I440-F494 HydrophobicContact CD1-CE1 4.26Å; I440-F494 HydrophobicContact CG1-CD1 4.42Å; I440-F494 HydrophobicContact CG1-CE1 4.25Å; I440-F494 HydrophobicContact CG2-CD1 4.14Å; I440-F494 HydrophobicContact CG2-CD2 4.47Å; I440-F494 HydrophobicContact CG2-CE1 4.1Å; I440-F494 HydrophobicContact CG2-CE2 4.43Å; I440-F494 HydrophobicContact CG2-CG 4.33Å; I440-F494 HydrophobicContact CG2-CZ 4.24Å; F458-F494 HydrophobicContact CE2-CD1 4.24Å; R460-F494 CarbonylContact O-C 3.58Å; R460-F494 WeakPolarHBondContact O-CA 3.38Å; Q461-F494 HydrophobicContact CB-CD1 3.69Å; Q461-F494 HydrophobicContact CB-CE1 3.93Å; Q492-F494 HydrophobicContact CB-CE2 4.36Å; Q492-F494 HydrophobicContact CG-CD2 4.43Å; Q492-F494 HydrophobicContact CG-CE1 4.39Å; Q492-F494 HydrophobicContact CG-CE2 3.5Å; Q492-F494 VanDerWaalsContact CG-CE2 3.5Å; Q492-F494 HydrophobicContact CG-CZ 3.47Å; Q492-F494 VanDerWaalsContact CG-CZ 3.47Å; F494-F496 HydrophobicContact CB-CD2 4.34Å; F494-F496 HydrophobicContact CB-CE2 3.54Å; F494-F496 HydrophobicContact CB-CZ 4.18Å; F494-F500 WeakPolarHBondContact O-CA 3.38Å; F494-L501 HydrophobicContact CB-CB 4.31Å; F494-L501 HydrophobicContact CD2-CB 4.49Å; F494-L501 PolarHBondContact N-O 3.32Å; F494-L501 PolarHBondContact O-N 2.86Å; F494-C503 HydrophobicContact CE2-CB 4.45Å; F494-L511 HydrophobicContact CE2-CD1 3.74Å; F494-L511 HydrophobicContact CZ-CD1 3.7Å
495L90.7Very high80Confident0 Ų054.5 Ų54.50%025%0.25CC..EExtended strand (participates in β ladder)trans-100.2127.8174.3177.464.6000109.6V459 R460 F500 L522 W577 D580 I581 C584V459-L495 HydrophobicContact CB-CB 4.38Å; V459-L495 HydrophobicContact CB-CD2 4.08Å; V459-L495 HydrophobicContact CB-CG 3.96Å; V459-L495 WeakPolarHBondContact CB-O 3.4Å; V459-L495 HydrophobicContact CG1-CD2 3.87Å; V459-L495 HydrophobicContact CG1-CG 4.31Å; V459-L495 HydrophobicContact CG2-CG 4.45Å; V459-L495 PolarHBondContact N-O 3.13Å; R460-L495 HydrophobicContact CB-CB 4.19Å; R460-L495 PolarHBondContact N-O 2.97Å; R460-L495 PolarHBondContact O-N 2.93Å; L495-F500 HydrophobicContact CB-CD2 4.09Å; L495-F500 HydrophobicContact CD1-CB 4.44Å; L495-F500 HydrophobicContact CD1-CD2 3.97Å; L495-L522 HydrophobicContact CD1-CD1 3.65Å; L495-W577 HydrophobicContact CB-CZ3 4.07Å; L495-D580 HydrophobicContact CD2-CB 3.64Å; L495-I581 HydrophobicContact CD1-CG1 4.14Å; L495-I581 HydrophobicContact CD2-CG1 4.02Å; L495-C584 HydrophobicContact CD1-CB 4.41Å
496F89.9Confident81.4Confident0 Ų051.7 Ų51.70%024%0.239CC..EExtended strand (participates in β ladder)trans-121161.3169.7-58.3-95.8000109N437 I440 L451 T457 F458 F494 K498 H499 L501 L522N437-F496 WeakPolarHBondContact OD1-CE1 3.49Å; I440-F496 HydrophobicContact CD1-CE1 4.19Å; I440-F496 HydrophobicContact CD1-CZ 3.77Å; I440-F496 HydrophobicContact CG2-CZ 4.31Å; L451-F496 HydrophobicContact CD1-CZ 4.22Å; L451-F496 HydrophobicContact CD2-CD1 3.98Å; L451-F496 HydrophobicContact CD2-CD2 4.02Å; L451-F496 HydrophobicContact CD2-CE1 3.59Å; L451-F496 HydrophobicContact CD2-CE2 3.64Å; L451-F496 HydrophobicContact CD2-CG 4.19Å; L451-F496 HydrophobicContact CD2-CZ 3.41Å; L451-F496 VanDerWaalsContact CD2-CZ 3.41Å; L451-F496 HydrophobicContact CG-CZ 4.48Å; T457-F496 CarbonylContact O-C 3.6Å; T457-F496 WeakPolarHBondContact O-CA 3.3Å; F458-F496 HydrophobicContact CB-CD1 3.98Å; F458-F496 HydrophobicContact CB-CE1 3.86Å; F458-F496 HydrophobicContact CD2-CD1 4.31Å; F458-F496 AromaticContact CD2-CE1 3.79Å; F458-F496 HydrophobicContact CD2-CE1 3.79Å; F458-F496 HydrophobicContact CD2-CZ 4.03Å; F458-F496 HydrophobicContact CG-CE1 4.32Å; F494-F496 HydrophobicContact CB-CD2 4.34Å; F494-F496 HydrophobicContact CB-CE2 3.54Å; F494-F496 HydrophobicContact CB-CZ 4.18Å; F496-K498 PolarHBondContact O-N 3.13Å; F496-H499 WeakPolarHBondContact CA-O 3.18Å; F496-H499 PolarHBondContact N-O 2.95Å; F496-H499 PolarHBondContact O-N 3.01Å; F496-H499 VanDerWaalsContact O-O 3.09Å; F496-L501 HydrophobicContact CD2-CD1 4.34Å; F496-L501 HydrophobicContact CD2-CG 4.14Å; F496-L501 HydrophobicContact CE2-CD1 3.66Å; F496-L501 HydrophobicContact CE2-CG 3.86Å; F496-L501 HydrophobicContact CZ-CD1 4.48Å; F496-L522 WeakPolarHBondContact O-CD1 3.48Å
497T81.7Confident82.4Confident39 Ų3950.5 Ų50.524%0.23925%0.251CS..SBendtrans-62.3-11.4-175.131.90000116.2T457 V459 I588T457-T497 PolarHBondContact N-OG1 3.45Å; T457-T497 PolarHBondContact O-N 3.48Å; T457-T497 PolarHBondContact O-OG1 3.31Å; T457-T497 WeakPolarHBondContact OG1-CG2 3.4Å; T457-T497 PolarHBondContact OG1-OG1 3.22Å; V459-T497 HydrophobicContact CG2-CG2 3.88Å; T497-I588 VanDerWaalsContact O-CD1 3.27Å; T497-I588 WeakPolarHBondContact O-CD1 3.3Å; T497-I588 WeakPolarHBondContact O-CG1 3.39Å
498K84Confident83.1Confident75 Ų7544.3 Ų44.333%0.32624%0.243SC..SBendtrans-124.2-17.9171.5-50.8179.3-166.2168.30114.6D453 S455 Q456 F496 L522D453-K498 IonicContact OD1-NZ 3.81Å; D453-K498 IonicContact OD2-NZ 3.39Å; D453-K498 PolarHBondContact OD2-NZ 3.22Å; S455-K498 PolarHBondContact OG-NZ 2.93Å; Q456-K498 HydrophobicContact CG-CB 4.4Å; Q456-K498 HydrophobicContact CG-CD 4.22Å; Q456-K498 HydrophobicContact CG-CG 4.37Å; F496-K498 PolarHBondContact O-N 3.13Å; K498-L522 WeakPolarHBondContact O-CB 3.44Å; K498-L522 PolarHBondContact O-N 3.23Å
499H89.6Confident83.7Confident31 Ų3139.1 Ų39.114%0.14423%0.226CC..EExtended strand (participates in β ladder)trans-140.4150.3-171.7-61.387.3000112.9I450 Q456 F496 L501 L520I450-H499 HydrophobicContact CD1-CB 3.81Å; Q456-H499 PolarHBondContact NE2-ND1 3.27Å; Q456-H499 VanDerWaalsContact NE2-ND1 3.14Å; Q456-H499 PolarHBondContact OE1-ND1 3.2Å; F496-H499 WeakPolarHBondContact CA-O 3.18Å; F496-H499 PolarHBondContact N-O 2.95Å; F496-H499 PolarHBondContact O-N 3.01Å; F496-H499 VanDerWaalsContact O-O 3.09Å; H499-L501 HydrophobicContact CB-CD2 4.3Å; H499-L520 CarbonylContact C-O 3.58Å; H499-L520 VanDerWaalsContact CA-O 3.28Å; H499-L520 WeakPolarHBondContact CA-O 3.46Å
500F92Very high84.3Confident0 Ų044.8 Ų44.80%025%0.248CC..EExtended strand (participates in β ladder)trans-120.2121.9172.8-178.7-93.5000109.8L464 C493 F494 L495 V502 L520 L522 L552 L566 W577 I581L464-F500 HydrophobicContact CD1-CZ 4.19Å; C493-F500 HydrophobicContact CB-CE1 4.39Å; C493-F500 HydrophobicContact CB-CE2 4.27Å; C493-F500 HydrophobicContact CB-CZ 3.79Å; F494-F500 WeakPolarHBondContact O-CA 3.38Å; L495-F500 HydrophobicContact CB-CD2 4.09Å; L495-F500 HydrophobicContact CD1-CB 4.44Å; L495-F500 HydrophobicContact CD1-CD2 3.97Å; F500-V502 HydrophobicContact CD1-CG2 3.86Å; F500-V502 HydrophobicContact CE1-CG2 3.57Å; F500-L520 HydrophobicContact CB-CB 4.37Å; F500-L520 HydrophobicContact CD1-CD1 4.01Å; F500-L520 HydrophobicContact CD1-CG 4.48Å; F500-L520 PolarHBondContact N-O 3.05Å; F500-L520 PolarHBondContact O-N 3.32Å; F500-L522 HydrophobicContact CB-CD2 3.96Å; F500-L522 HydrophobicContact CB-CG 4.39Å; F500-L552 HydrophobicContact CD1-CD1 4.22Å; F500-L552 HydrophobicContact CE1-CD1 4.22Å; F500-L566 HydrophobicContact CE1-CD1 3.67Å; F500-L566 HydrophobicContact CZ-CD1 3.72Å; F500-W577 AromaticContact CE2-CE3 3.95Å; F500-W577 HydrophobicContact CE2-CE3 3.95Å; F500-W577 AromaticContact CE2-CZ3 3.68Å; F500-W577 HydrophobicContact CE2-CZ3 3.68Å; F500-W577 HydrophobicContact CZ-CZ3 4.49Å; F500-I581 HydrophobicContact CD2-CD1 4.29Å; F500-I581 HydrophobicContact CD2-CG1 4.45Å; F500-I581 HydrophobicContact CE2-CD1 3.91Å; F500-I581 HydrophobicContact CE2-CG1 4.45Å; F500-I581 HydrophobicContact CZ-CD1 4.49Å
501L90.9Very high84.6Confident0 Ų039.9 Ų39.90%022%0.224CC..EExtended strand (participates in β ladder)trans-103.2138.1-176.1-43.6-171.3000110.9I444 I450 L451 C493 F494 F496 H499 L513 G518 V519I444-L501 HydrophobicContact CD1-CD1 4.38Å; I450-L501 HydrophobicContact CD1-CD2 3.6Å; L451-L501 HydrophobicContact CD1-CD1 4.01Å; L451-L501 HydrophobicContact CD2-CD1 4.19Å; L451-L501 HydrophobicContact CG-CD1 4.32Å; C493-L501 VanDerWaalsContact CA-O 3.26Å; C493-L501 WeakPolarHBondContact CA-O 3.15Å; F494-L501 HydrophobicContact CB-CB 4.31Å; F494-L501 HydrophobicContact CD2-CB 4.49Å; F494-L501 PolarHBondContact N-O 3.32Å; F494-L501 PolarHBondContact O-N 2.86Å; F496-L501 HydrophobicContact CD2-CD1 4.34Å; F496-L501 HydrophobicContact CD2-CG 4.14Å; F496-L501 HydrophobicContact CE2-CD1 3.66Å; F496-L501 HydrophobicContact CE2-CG 3.86Å; F496-L501 HydrophobicContact CZ-CD1 4.48Å; H499-L501 HydrophobicContact CB-CD2 4.3Å; L501-L513 HydrophobicContact CB-CD2 4.49Å; L501-G518 WeakPolarHBondContact CA-O 3.42Å; L501-V519 HydrophobicContact CD2-CB 4.45Å; L501-V519 HydrophobicContact CD2-CG1 4.1Å; L501-V519 HydrophobicContact CD2-CG2 4.2Å
502V89.9Confident84.5Confident0 Ų041 Ų410%023%0.231CC..EExtended strand (participates in β ladder)trans-121.4101.1178.3-176.30000108.9R491 F500 L514 G518R491-V502 HydrophobicContact CB-CG1 3.89Å; R491-V502 HydrophobicContact CG-CG1 3.7Å; F500-V502 HydrophobicContact CD1-CG2 3.86Å; F500-V502 HydrophobicContact CE1-CG2 3.57Å; V502-L514 HydrophobicContact CG1-CD2 4.44Å; V502-L514 PolarHBondContact O-N 2.84Å; V502-G518 PolarHBondContact N-O 3.49Å
503C89.7Confident84.2Confident0 Ų040.7 Ų40.70%023%0.23CC..EExtended strand (participates in β ladder)trans-104149.4-177.9-650000112.4R491 Q492 F494 L511 H512R491-C503 CarbonylContact C-O 3.48Å; R491-C503 WeakPolarHBondContact CA-O 3.25Å; Q492-C503 HydrophobicContact CB-CB 4.39Å; Q492-C503 PolarHBondContact N-O 3.32Å; Q492-C503 WeakPolarHBondContact O-CB 3.44Å; Q492-C503 PolarHBondContact O-N 3.14Å; F494-C503 HydrophobicContact CE2-CB 4.45Å; C503-L511 HydrophobicContact CB-CB 4.19Å; C503-L511 HydrophobicContact CB-CD2 4.33Å; C503-H512 CarbonylContact C-O 3.4Å; C503-H512 WeakPolarHBondContact CA-O 3.49Å
504T86.8Confident83.6Confident45 Ų4542.8 Ų42.828%0.27624%0.242SC..EExtended strand (participates in β ladder)trans-98.5144163.559.40000109.6L511 H512 L514T504-L511 WeakPolarHBondContact O-CA 3.48Å; T504-H512 PolarHBondContact N-O 3.4Å; T504-H512 PolarHBondContact O-N 2.84Å; T504-H512 PolarHBondContact OG1-O 3.01Å; T504-L514 HydrophobicContact CG2-CD1 4.44Å
505R82.7Confident82.6Confident172 Ų17252.9 Ų52.965%0.64929%0.285SS*.EExtended strand (participates in β ladder)trans-106.6119.8-175.2-173173.7-177.4174.20.3111.1L511R505-L511 HydrophobicContact CB-CD2 3.98Å; R505-L511 HydrophobicContact CG-CD2 4.04Å
506S77.9Confident81.4Confident37 Ų3760.2 Ų60.226%0.25932%0.32SS..  trans-74.3159.1174.171.10000111.9G508 G509 K510S506-G508 PolarHBondContact O-N 2.89Å; S506-G509 PolarHBondContact O-N 3.27Å; S506-K510 WeakPolarHBondContact CB-O 3.24Å; S506-K510 PolarHBondContact N-O 2.89Å; S506-K510 PolarHBondContact OG-N 3.39Å; S506-K510 PolarHBondContact OG-O 3.41Å
507S69.9Low80.4Confident140 Ų14060.8 Ų60.898%0.97933%0.326SS*.THydrogen-bonded Turntrans-61.1-22.4175.250.30000113.9G509S507-G509 VanDerWaalsContact C-N 3.28Å; S507-G509 PolarHBondContact O-N 2.97Å
508G65.6Low80.2Confident65 Ų6559.1 Ų59.167%0.6732%0.316SS*.THydrogen-bonded Turntrans-84.39.4173.200000114.6S506 K510S506-G508 PolarHBondContact O-N 2.89Å; G508-K510 PolarHBondContact O-N 3.42Å
509G68.4Low80.3Confident28 Ų2858.6 Ų58.629%0.28932%0.319SS..SBendtrans79.1-11.9179.800000115.4S506 S507S506-G509 PolarHBondContact O-N 3.27Å; S507-G509 VanDerWaalsContact C-N 3.28Å; S507-G509 PolarHBondContact O-N 2.97Å
510K77.8Confident80.2Confident129 Ų12957.2 Ų57.256%0.56131%0.312SS*.  trans-71150173.9-66179.7164.2-162.40111.9V445 S506 G508V445-K510 HydrophobicContact CG2-CB 3.61Å; V445-K510 HydrophobicContact CG2-CD 3.83Å; V445-K510 HydrophobicContact CG2-CG 4.19Å; S506-K510 WeakPolarHBondContact CB-O 3.24Å; S506-K510 PolarHBondContact N-O 2.89Å; S506-K510 PolarHBondContact OG-N 3.39Å; S506-K510 PolarHBondContact OG-O 3.41Å; G508-K510 PolarHBondContact O-N 3.42Å
511L86.5Confident79.9Confident2 Ų258.9 Ų58.91%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-107145.7-177.5-59.2174.5000111.5M443 I444 V445 Q492 F494 C503 T504 R505M443-L511 HydrophobicContact CB-CD1 3.95Å; M443-L511 HydrophobicContact CB-CG 4.34Å; M443-L511 HydrophobicContact CE-CD1 4.15Å; M443-L511 HydrophobicContact CE-CG 4.48Å; M443-L511 WeakPolarHBondContact O-CB 3.34Å; M443-L511 PolarHBondContact O-N 3.07Å; I444-L511 WeakPolarHBondContact CA-O 3.34Å; I444-L511 HydrophobicContact CG1-CB 4.2Å; V445-L511 WeakPolarHBondContact CG2-O 3.39Å; V445-L511 PolarHBondContact N-O 2.75Å; Q492-L511 HydrophobicContact CB-CD2 4.18Å; Q492-L511 HydrophobicContact CG-CD2 4.31Å; F494-L511 HydrophobicContact CE2-CD1 3.74Å; F494-L511 HydrophobicContact CZ-CD1 3.7Å; C503-L511 HydrophobicContact CB-CB 4.19Å; C503-L511 HydrophobicContact CB-CD2 4.33Å; T504-L511 WeakPolarHBondContact O-CA 3.48Å; R505-L511 HydrophobicContact CB-CD2 3.98Å; R505-L511 HydrophobicContact CG-CD2 4.04Å
512H85.4Confident79.7Confident59 Ų5958.9 Ų58.927%0.27332%0.324SS..EExtended strand (participates in β ladder)trans-125.6133.9171.6-67.8-92.8000109.4E446 C503 T504E446-H512 IonicContact OE1-CE1 3.63Å; E446-H512 IonicContact OE1-CG 3.01Å; E446-H512 IonicContact OE1-ND1 3.61Å; E446-H512 PolarHBondContact OE1-ND1 2.82Å; C503-H512 CarbonylContact C-O 3.4Å; C503-H512 WeakPolarHBondContact CA-O 3.49Å; T504-H512 PolarHBondContact N-O 3.4Å; T504-H512 PolarHBondContact O-N 2.84Å; T504-H512 PolarHBondContact OG1-O 3.01Å
513L84.2Confident79.4Confident28 Ų2863.3 Ų63.315%0.14735%0.347CS..EExtended strand (participates in β ladder)trans-68.7146176-73.9164.6000109.9I444 C448 L501 K515 G518 V519I444-L513 HydrophobicContact CD1-CD2 4.45Å; I444-L513 HydrophobicContact CG2-CD1 3.96Å; I444-L513 HydrophobicContact CG2-CG 3.91Å; C448-L513 HydrophobicContact CB-CD1 4.41Å; L501-L513 HydrophobicContact CB-CD2 4.49Å; L513-K515 PolarHBondContact O-N 3.35Å; L513-G518 WeakPolarHBondContact CD2-O 3.46Å; L513-V519 HydrophobicContact CD1-CG2 4.14Å; L513-V519 HydrophobicContact CD2-CG2 4.01Å
514L80.4Confident79.1Confident45 Ų4565.7 Ų65.724%0.23636%0.36CS..  trans-72.2125176.3-170.967.4000110.3Q466 V502 T504 Q516 G518Q466-L514 VanDerWaalsContact NE2-CD2 3.28Å; Q466-L514 VanDerWaalsContact OE1-CD2 3.29Å; V502-L514 HydrophobicContact CG1-CD2 4.44Å; V502-L514 PolarHBondContact O-N 2.84Å; T504-L514 HydrophobicContact CG2-CD1 4.44Å; L514-Q516 VanDerWaalsContact CD2-O 3.29Å; L514-Q516 WeakPolarHBondContact CD2-O 3.45Å; L514-Q516 WeakPolarHBondContact CG-O 3.29Å; L514-Q516 PolarHBondContact O-N 3.09Å; L514-G518 WeakPolarHBondContact O-CA 3.25Å; L514-G518 PolarHBondContact O-N 3.23Å
515K70.3Confident79Confident215 Ų21563.5 Ų63.594%0.93535%0.346SS*.THydrogen-bonded Turntrans-54.6-18.9-175.2-67.1-171.6176.2-173.90115.7L513L513-K515 PolarHBondContact O-N 3.35Å
516Q65.8Low79.1Confident155 Ų15558.2 Ų58.272%0.72433%0.333SS*.THydrogen-bonded Turntrans-140.2120.6173.2-169.8174.67.500107.3L514L514-Q516 VanDerWaalsContact CD2-O 3.29Å; L514-Q516 WeakPolarHBondContact CD2-O 3.45Å; L514-Q516 WeakPolarHBondContact CG-O 3.29Å; L514-Q516 PolarHBondContact O-N 3.09Å
517G69Low79.5Confident12 Ų1258.2 Ų58.212%0.12433%0.33CS..THydrogen-bonded Turntrans74.216.4-175.700000116V519 L520G517-V519 VanDerWaalsContact C-N 3.34Å; G517-L520 WeakPolarHBondContact O-CD2 3.38Å
518G76.8Confident80.1Confident3 Ų355 Ų553%0.03130%0.301CS..SBendtrans-73.2-23.1175.300000114.7L501 V502 L513 L514L501-G518 WeakPolarHBondContact CA-O 3.42Å; V502-G518 PolarHBondContact N-O 3.49Å; L513-G518 WeakPolarHBondContact CD2-O 3.46Å; L514-G518 WeakPolarHBondContact O-CA 3.25Å; L514-G518 PolarHBondContact O-N 3.23Å
519V85.9Confident80.6Confident64 Ų6456.7 Ų56.739%0.38829%0.292SS..EExtended strand (participates in β ladder)trans-127.3119.5170.8178.90000106.9I450 L501 L513 G517I450-V519 HydrophobicContact CD1-CG1 3.42Å; I450-V519 VanDerWaalsContact CD1-CG1 3.42Å; L501-V519 HydrophobicContact CD2-CB 4.45Å; L501-V519 HydrophobicContact CD2-CG1 4.1Å; L501-V519 HydrophobicContact CD2-CG2 4.2Å; L513-V519 HydrophobicContact CD1-CG2 4.14Å; L513-V519 HydrophobicContact CD2-CG2 4.01Å; G517-V519 VanDerWaalsContact C-N 3.34Å
520L87.6Confident80.4Confident2 Ų260.9 Ų60.91%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-112124.4175-50.5-174.2000109H499 F500 G517 L552 V554 F562 V564H499-L520 CarbonylContact C-O 3.58Å; H499-L520 VanDerWaalsContact CA-O 3.28Å; H499-L520 WeakPolarHBondContact CA-O 3.46Å; F500-L520 HydrophobicContact CB-CB 4.37Å; F500-L520 HydrophobicContact CD1-CD1 4.01Å; F500-L520 HydrophobicContact CD1-CG 4.48Å; F500-L520 PolarHBondContact N-O 3.05Å; F500-L520 PolarHBondContact O-N 3.32Å; G517-L520 WeakPolarHBondContact O-CD2 3.38Å; L520-L552 HydrophobicContact CD1-CD1 4.01Å; L520-V554 HydrophobicContact CD1-CG2 4.2Å; L520-V554 HydrophobicContact CD2-CG2 4.15Å; L520-F562 HydrophobicContact CD2-CE2 3.93Å; L520-F562 HydrophobicContact CD2-CZ 3.89Å; L520-V564 HydrophobicContact CD1-CG2 4.05Å; L520-V564 HydrophobicContact CD2-CG2 4.39Å
521S87.1Confident79.1Confident36 Ų3660.4 Ų60.425%0.25231%0.314SS..EExtended strand (participates in β ladder)trans-78.4122170.1167.50000108.5I523 D524 C525S521-I523 VanDerWaalsContact C-N 3.31Å; S521-I523 PolarHBondContact O-N 2.95Å; S521-I523 WeakPolarHBondContact OG-CG2 3.38Å; S521-D524 WeakPolarHBondContact CB-OD2 3.47Å; S521-D524 PolarHBondContact O-N 3.23Å; S521-D524 PolarHBondContact OG-OD2 3.41Å; S521-C525 PolarHBondContact O-SG 3.33Å
522L86.8Confident77.3Confident0 Ų064.7 Ų64.70%034%0.337CS..G310 helixtrans-75.3-18-171.5-73.1173.9000113.5L495 F496 K498 F500 D524 C525 I581 C584 I585 I588L495-L522 HydrophobicContact CD1-CD1 3.65Å; F496-L522 WeakPolarHBondContact O-CD1 3.48Å; K498-L522 WeakPolarHBondContact O-CB 3.44Å; K498-L522 PolarHBondContact O-N 3.23Å; F500-L522 HydrophobicContact CB-CD2 3.96Å; F500-L522 HydrophobicContact CB-CG 4.39Å; L522-D524 VanDerWaalsContact C-N 3.27Å; L522-D524 PolarHBondContact O-N 3.33Å; L522-C525 HydrophobicContact CD2-CB 4.34Å; L522-C525 PolarHBondContact O-N 2.86Å; L522-I581 HydrophobicContact CD2-CG2 4.32Å; L522-C584 HydrophobicContact CD1-CB 3.76Å; L522-I585 HydrophobicContact CB-CG1 4.21Å; L522-I585 HydrophobicContact CD2-CD1 4.48Å; L522-I585 HydrophobicContact CD2-CG1 4.16Å; L522-I588 HydrophobicContact CB-CD1 3.33Å; L522-I588 HydrophobicContact CD1-CD1 4.14Å; L522-I588 HydrophobicContact CG-CD1 4.38Å
523I82.4Confident75.2Confident92 Ų9266.6 Ų66.647%0.47236%0.363SS..G310 helixtrans-66.5-34.4173.7-159.2169.5000111.4S521 C525 I588S521-I523 VanDerWaalsContact C-N 3.31Å; S521-I523 PolarHBondContact O-N 2.95Å; S521-I523 WeakPolarHBondContact OG-CG2 3.38Å; I523-C525 VanDerWaalsContact C-N 3.31Å; I523-I588 HydrophobicContact CB-CG2 3.82Å; I523-I588 HydrophobicContact CD1-CG2 4.03Å; I523-I588 HydrophobicContact CG1-CG2 3.86Å
524D83.5Confident73.2Confident50 Ų5069.8 Ų69.827%0.26739%0.393SS..G310 helixtrans-87.71.8179.5-46.6-74.1000112.7S521 L522 V554 E555S521-D524 WeakPolarHBondContact CB-OD2 3.47Å; S521-D524 PolarHBondContact O-N 3.23Å; S521-D524 PolarHBondContact OG-OD2 3.41Å; L522-D524 VanDerWaalsContact C-N 3.27Å; L522-D524 PolarHBondContact O-N 3.33Å; D524-V554 HydrophobicContact CB-CG1 4.47Å; D524-V554 WeakPolarHBondContact O-CA 3.29Å; D524-E555 PolarHBondContact O-N 3.41Å
525C85.4Confident71.6Confident0 Ų075.8 Ų75.80%043%0.425CS..EExtended strand (participates in β ladder)trans-95.2139.8179.4-75.20000112S521 L522 I523 V553 I585 R589S521-C525 PolarHBondContact O-SG 3.33Å; L522-C525 HydrophobicContact CD2-CB 4.34Å; L522-C525 PolarHBondContact O-N 2.86Å; I523-C525 VanDerWaalsContact C-N 3.31Å; C525-V553 CarbonylContact C-O 3.58Å; C525-V553 WeakPolarHBondContact CA-O 3.45Å; C525-I585 HydrophobicContact CB-CD1 4.02Å; C525-R589 PolarHBondContact O-NH2 3.26Å
526T83.8Confident70Confident60 Ų6072.8 Ų72.837%0.36842%0.419SS..EExtended strand (participates in β ladder)trans-120.5120.1161.8-650000108.9I528 V553T526-I528 HydrophobicContact CG2-CG1 4.35Å; T526-V553 PolarHBondContact N-O 3.22Å; T526-V553 PolarHBondContact O-N 3.41Å
527L87.3Confident69.1Low38 Ų3874.8 Ų74.820%0.19943%0.429CS..EExtended strand (participates in β ladder)trans-79128.4174.2177.464.4000109.6F550 L552 T578 I581 I585L527-F550 HydrophobicContact CD1-CB 4.37Å; L527-F550 HydrophobicContact CD1-CD2 3.76Å; L527-F550 HydrophobicContact CD1-CG 4.47Å; L527-L552 HydrophobicContact CB-CD2 4.2Å; L527-L552 HydrophobicContact CD1-CD2 3.72Å; L527-T578 HydrophobicContact CD1-CG2 4.36Å; L527-T578 HydrophobicContact CD2-CG2 4.39Å; L527-T578 WeakPolarHBondContact CD2-O 3.44Å; L527-I581 HydrophobicContact CD2-CG2 4.43Å; L527-I585 HydrophobicContact CB-CD1 4.29Å
528I82.8Confident67.6Low73 Ų7379.2 Ų79.237%0.37446%0.458SS..EExtended strand (participates in β ladder)trans-120.4120.2174.7-56.7-177.8000108.6T526 K551 V553T526-I528 HydrophobicContact CG2-CG1 4.35Å; I528-K551 HydrophobicContact CB-CB 4.29Å; I528-K551 PolarHBondContact N-O 3.22Å; I528-K551 PolarHBondContact O-N 3.18Å; I528-V553 HydrophobicContact CD1-CG2 3.58Å; I528-V553 HydrophobicContact CG1-CG2 4.32Å
529E75.9Confident66Low99 Ų9989.2 Ų89.246%0.46350%0.501SS..  trans-111.3122.8168.8-178.3155.1-141.200108K574E529-K574 WeakPolarHBondContact OE1-CE 3.14Å; E529-K574 IonicContact OE1-NZ 3.61Å
530E63.5Low63.5Low117 Ų11792 Ų9255%0.54752%0.518SS..  trans-76.8126.1172.9-80.7166-166.500108.3K551E530-K551 IonicContact OE1-NZ 2.62Å; E530-K551 PolarHBondContact OE1-NZ 2.84Å; E530-K551 IonicContact OE2-NZ 2.7Å; E530-K551 PolarHBondContact OE2-NZ 3.27Å
531P50.9Low61.2Low119 Ų11997.6 Ų97.677%0.77357%0.565SS**  trans-67.8143.7-17527.6-34.6000110.9A533P531-A533 PolarHBondContact O-N 2.99Å
532D47.9Very low59Low91 Ų9198.8 Ų98.849%0.48758%0.583SS.*  trans-56.5111.4171.1-84.6-54.4000109.2A534 Q547 R571D532-A534 PolarHBondContact O-N 3.22Å; D532-Q547 PolarHBondContact OD1-NE2 3Å; D532-R571 IonicContact OD2-CZ 3.73Å; D532-R571 IonicContact OD2-NH2 2.66Å; D532-R571 PolarHBondContact OD2-NH2 3.24Å
533A41.2Very low57Low99 Ų99107.4 Ų107.482%0.81862%0.623SS**  trans-64.6118.8172.900000108.7P531P531-A533 PolarHBondContact O-N 2.99Å
534A42.5Very low55.1Low95 Ų95108.6 Ų108.679%0.78563%0.634SS**  trans-63.2147.7179.300000111.4D532 D536D532-A534 PolarHBondContact O-N 3.22Å; A534-D536 PolarHBondContact O-N 2.65Å
535D46.8Very low53.4Low171 Ų171113.1 Ų113.191%0.91465%0.652SS**  trans-28.2116.3-175.8-79.3-38.2000115.6
536D36.7Very low51.8Low152 Ų152115.4 Ų115.481%0.81368%0.675SS**  trans-142.9112.2158.2-155.6-5.3000109.9A534 S538A534-D536 PolarHBondContact O-N 2.65Å; D536-S538 PolarHBondContact O-N 3.31Å
537E46.6Very low50.8Low197 Ų197118.2 Ų118.292%0.92168%0.684SS**  trans-74.889.2-171.2-77-160.2115.100112.4
538S38.9Very low50.2Low106 Ų106118.5 Ų118.574%0.74169%0.686SS**  trans-135.3139.6165.972.20000114.2D536 T540D536-S538 PolarHBondContact O-N 3.31Å; S538-T540 PolarHBondContact O-N 2.87Å
539K42.3Very low50.2Low212 Ų212116.1 Ų116.192%0.92267%0.674SS**  trans-82.8113.2-164.7-66.8169.3-178.1167.40112.1
540T33.2Very low50.7Low124 Ų124111.5 Ų111.576%0.76165%0.652SS**  trans-144.9108.2152.7-39.30000111.7S538 G542S538-T540 PolarHBondContact O-N 2.87Å; T540-G542 PolarHBondContact O-N 2.93Å
541A39.8Very low51.8Low119 Ų119108.1 Ų108.198%0.98364%0.636SS**THydrogen-bonded Turntrans-74.386.9177.500000110.8
542G41.7Very low53.6Low61 Ų61102.5 Ų102.563%0.62960%0.599SS**THydrogen-bonded Turntrans-163.1-29.6-178.700000117T540T540-G542 PolarHBondContact O-N 2.93Å
543Q43.5Very low55.4Low180 Ų18099.5 Ų99.584%0.84158%0.584SS**  trans-106.485.8-177.1-73.8172.6-83.500112
544V43.9Very low57.5Low118 Ų11895 Ų9572%0.71555%0.546SS*.SBendtrans-105.4-13.7172.7-176.30000112.2
545F46.5Very low59.4Low145 Ų14596 Ų9664%0.63654%0.535SS*.SBendtrans-97.9-20.2-175.4-69.8-80.1000114.7Q547 L548 L567F545-Q547 PolarHBondContact O-N 3.11Å; F545-L548 PolarHBondContact O-N 2.95Å; F545-L567 HydrophobicContact CB-CD1 4.36Å; F545-L567 HydrophobicContact CD1-CD1 4.5Å; F545-L567 HydrophobicContact CD1-CD2 4.34Å; F545-L567 WeakPolarHBondContact O-CD1 3.44Å
546G52.3Low60.6Low48 Ų4889.6 Ų89.650%0.49550%0.502SS..THydrogen-bonded Turntrans-74.610.8-172.400000116.7D549G546-D549 WeakPolarHBondContact CA-OD1 3.21Å
547Q61.9Low61.8Low118 Ų11887.5 Ų87.555%0.55150%0.5SS*.THydrogen-bonded Turntrans-105.1-14.8172.4-75.1-175.8-53.600112.5D532 F545 K574D532-Q547 PolarHBondContact OD1-NE2 3Å; F545-Q547 PolarHBondContact O-N 3.11Å; Q547-K574 VanDerWaalsContact O-CD 3.25Å; Q547-K574 WeakPolarHBondContact O-CD 3.44Å; Q547-K574 PolarHBondContact O-NZ 3.28Å
548L75.8Confident62.5Low44 Ų4485.8 Ų85.823%0.2350%0.497CS..SBendtrans-106.9-3.4-174-62.2-174.9000114F545 L567 A568 R571F545-L548 PolarHBondContact O-N 2.95Å; L548-L567 HydrophobicContact CB-CD1 3.92Å; L548-L567 HydrophobicContact CB-CG 4.3Å; L548-A568 PolarHBondContact O-N 3.23Å; L548-R571 HydrophobicContact CD2-CB 4.02Å
549D82Confident63.9Low23 Ų2383.9 Ų83.912%0.12348%0.484CS..EExtended strand (participates in β ladder)trans-89.8154.9171.664.6-55.6000113.4G546 K551 V565 L566 L567 K574G546-D549 WeakPolarHBondContact CA-OD1 3.21Å; D549-K551 WeakPolarHBondContact OD2-CE 3.27Å; D549-V565 HydrophobicContact CB-CG1 4.2Å; D549-L566 CarbonylContact C-O 3.46Å; D549-L566 VanDerWaalsContact CA-O 3.23Å; D549-L566 WeakPolarHBondContact CA-O 3.48Å; D549-L567 HydrophobicContact CB-CD1 4.15Å; D549-K574 WeakPolarHBondContact O-CE 3.29Å; D549-K574 PolarHBondContact O-NZ 3.4Å
550F87.4Confident65.2Low2 Ų279.9 Ų79.91%0.00948%0.477CS..EExtended strand (participates in β ladder)trans-138.8157.8167.163.1-87.8000109.1L464 L527 L552 L566 W577 T578 I581L464-F550 HydrophobicContact CD1-CE1 4.44Å; L464-F550 HydrophobicContact CD1-CZ 3.98Å; L527-F550 HydrophobicContact CD1-CB 4.37Å; L527-F550 HydrophobicContact CD1-CD2 3.76Å; L527-F550 HydrophobicContact CD1-CG 4.47Å; F550-L552 HydrophobicContact CE2-CG 4.47Å; F550-L566 WeakPolarHBondContact CD1-O 3.44Å; F550-L566 HydrophobicContact CE1-CB 4.07Å; F550-L566 HydrophobicContact CE2-CB 4.11Å; F550-L566 HydrophobicContact CE2-CD1 3.96Å; F550-L566 HydrophobicContact CZ-CB 3.83Å; F550-L566 HydrophobicContact CZ-CD1 3.99Å; F550-L566 PolarHBondContact N-O 3.29Å; F550-L566 PolarHBondContact O-N 3.41Å; F550-W577 HydrophobicContact CE1-CB 4.07Å; F550-W577 HydrophobicContact CZ-CB 4.01Å; F550-T578 HydrophobicContact CB-CG2 3.75Å; F550-T578 HydrophobicContact CD1-CG2 4.17Å; F550-T578 HydrophobicContact CD2-CG2 4.34Å; F550-T578 HydrophobicContact CG-CG2 3.85Å; F550-I581 HydrophobicContact CE2-CD1 3.74Å; F550-I581 HydrophobicContact CZ-CD1 4.13Å
551K87Confident67.3Low47 Ų4777.3 Ų77.320%0.20446%0.464CS..EExtended strand (participates in β ladder)trans-123.5124.8-167.9-60.8172-167.8170.30109.5I528 E530 D549 T563 V565I528-K551 HydrophobicContact CB-CB 4.29Å; I528-K551 PolarHBondContact N-O 3.22Å; I528-K551 PolarHBondContact O-N 3.18Å; E530-K551 IonicContact OE1-NZ 2.62Å; E530-K551 PolarHBondContact OE1-NZ 2.84Å; E530-K551 IonicContact OE2-NZ 2.7Å; E530-K551 PolarHBondContact OE2-NZ 3.27Å; D549-K551 WeakPolarHBondContact OD2-CE 3.27Å; K551-T563 HydrophobicContact CB-CG2 4.21Å; K551-V565 HydrophobicContact CG-CG1 4.16Å; K551-V565 HydrophobicContact CG-CG2 4.19Å
552L87.4Confident69.3Low0 Ų074.2 Ų74.20%043%0.429CS..EExtended strand (participates in β ladder)trans-101.9108.9170-64.3174.9000108F500 L520 L527 F550 T563 V564 L566 I581F500-L552 HydrophobicContact CD1-CD1 4.22Å; F500-L552 HydrophobicContact CE1-CD1 4.22Å; L520-L552 HydrophobicContact CD1-CD1 4.01Å; L527-L552 HydrophobicContact CB-CD2 4.2Å; L527-L552 HydrophobicContact CD1-CD2 3.72Å; F550-L552 HydrophobicContact CE2-CG 4.47Å; L552-T563 CarbonylContact O-C 3.58Å; L552-T563 WeakPolarHBondContact O-CA 3.22Å; L552-V564 HydrophobicContact CB-CB 4.48Å; L552-V564 PolarHBondContact N-O 2.9Å; L552-V564 PolarHBondContact O-N 3.46Å; L552-L566 HydrophobicContact CD1-CD1 4.27Å; L552-I581 HydrophobicContact CD2-CG2 4.01Å
553V85.4Confident71.2Confident28 Ų2873.9 Ų73.917%0.1741%0.414CS..EExtended strand (participates in β ladder)trans-84.8127.4167-178.50000107.2C525 T526 I528 E555 T563C525-V553 CarbonylContact C-O 3.58Å; C525-V553 WeakPolarHBondContact CA-O 3.45Å; T526-V553 PolarHBondContact N-O 3.22Å; T526-V553 PolarHBondContact O-N 3.41Å; I528-V553 HydrophobicContact CD1-CG2 3.58Å; I528-V553 HydrophobicContact CG1-CG2 4.32Å; V553-E555 HydrophobicContact CG1-CG 3.97Å; V553-T563 HydrophobicContact CG2-CG2 4.11Å
554V85.6Confident73.2Confident4 Ų465.6 Ų65.62%0.02438%0.376CS..EExtended strand (participates in β ladder)trans-116.9125.1-178.2-165.50000107.7L520 D524 P556 S561 F562L520-V554 HydrophobicContact CD1-CG2 4.2Å; L520-V554 HydrophobicContact CD2-CG2 4.15Å; D524-V554 HydrophobicContact CB-CG1 4.47Å; D524-V554 WeakPolarHBondContact O-CA 3.29Å; V554-P556 HydrophobicContact CG1-CG 4.08Å; V554-P556 WeakPolarHBondContact O-CD 3.15Å; V554-S561 WeakPolarHBondContact O-CA 3.43Å; V554-S561 VanDerWaalsContact O-CB 3.23Å; V554-S561 WeakPolarHBondContact O-CB 3.41Å; V554-F562 HydrophobicContact CB-CD1 4.38Å; V554-F562 HydrophobicContact CB-CE1 4Å; V554-F562 HydrophobicContact CB-CE2 4.14Å; V554-F562 HydrophobicContact CB-CZ 3.87Å; V554-F562 HydrophobicContact CG1-CE1 4.12Å; V554-F562 HydrophobicContact CG1-CZ 4.01Å; V554-F562 HydrophobicContact CG2-CD2 4.45Å; V554-F562 HydrophobicContact CG2-CE2 3.95Å; V554-F562 HydrophobicContact CG2-CZ 4.07Å; V554-F562 PolarHBondContact N-O 2.93Å; V554-F562 PolarHBondContact O-N 3.01Å
555E82.3Confident75.2Confident118 Ų11861.2 Ų61.255%0.55135%0.35SS*.  trans-124.271.3-175.6-51.8-153.2121.700111.4D524 V553D524-E555 PolarHBondContact O-N 3.41Å; V553-E555 HydrophobicContact CG1-CG 3.97Å
556P72.1Confident77.2Confident35 Ų3554.3 Ų54.323%0.22732%0.319CS..  trans-71.1137.8-176.7-11.127.8000111V554 D558 S559 F562V554-P556 HydrophobicContact CG1-CG 4.08Å; V554-P556 WeakPolarHBondContact O-CD 3.15Å; P556-D558 PolarHBondContact O-N 3.45Å; P556-S559 WeakPolarHBondContact CG-OG 3.33Å; P556-S559 PolarHBondContact O-N 3.41Å; P556-S559 VanDerWaalsContact O-N 3.14Å; P556-S559 VanDerWaalsContact O-O 3.11Å; P556-F562 HydrophobicContact CG-CE1 4.2Å
557S63Low78.8Confident109 Ų10952.9 Ų52.976%0.76230%0.3SS*.THydrogen-bonded Turntrans-50.3-32.7-17948.50000115.5
558D61.1Low80Confident160 Ų16047.3 Ų47.386%0.85627%0.274SS*.THydrogen-bonded Turntrans-104.47.9-174.9-65-40.5000114.7P556P556-D558 PolarHBondContact O-N 3.45Å
559S67.6Low80.3Confident67 Ų6749.7 Ų49.747%0.46929%0.292SS..SBendtrans-151.5166.9-176.171.40000115.3P556 S561P556-S559 WeakPolarHBondContact CG-OG 3.33Å; P556-S559 PolarHBondContact O-N 3.41Å; P556-S559 VanDerWaalsContact O-N 3.14Å; P556-S559 VanDerWaalsContact O-O 3.11Å; S559-S561 PolarHBondContact O-N 2.85Å
560T70.6Confident80.4Confident128 Ų12850.2 Ų50.279%0.78530%0.298SS*.  trans-64.9129.7175.949.90000111.4
561S76.1Confident80Confident70 Ų7057.4 Ų57.449%0.4933%0.325SS..  trans-60.7145178.353.80000112.7V554 S559V554-S561 WeakPolarHBondContact O-CA 3.43Å; V554-S561 VanDerWaalsContact O-CB 3.23Å; V554-S561 WeakPolarHBondContact O-CB 3.41Å; S559-S561 PolarHBondContact O-N 2.85Å
562F81.7Confident79.6Confident54 Ų5462.1 Ų62.124%0.23735%0.348CS..EExtended strand (participates in β ladder)trans-139.6158.9-17865.1-86.3000111L520 V554 P556 V564L520-F562 HydrophobicContact CD2-CE2 3.93Å; L520-F562 HydrophobicContact CD2-CZ 3.89Å; V554-F562 HydrophobicContact CB-CD1 4.38Å; V554-F562 HydrophobicContact CB-CE1 4Å; V554-F562 HydrophobicContact CB-CE2 4.14Å; V554-F562 HydrophobicContact CB-CZ 3.87Å; V554-F562 HydrophobicContact CG1-CE1 4.12Å; V554-F562 HydrophobicContact CG1-CZ 4.01Å; V554-F562 HydrophobicContact CG2-CD2 4.45Å; V554-F562 HydrophobicContact CG2-CE2 3.95Å; V554-F562 HydrophobicContact CG2-CZ 4.07Å; V554-F562 PolarHBondContact N-O 2.93Å; V554-F562 PolarHBondContact O-N 3.01Å; P556-F562 HydrophobicContact CG-CE1 4.2Å; F562-V564 HydrophobicContact CD2-CG2 3.97Å; F562-V564 HydrophobicContact CE2-CG2 3.73Å
563T82.3Confident79.4Confident53 Ų5365.4 Ų65.433%0.32536%0.363SS..EExtended strand (participates in β ladder)trans-117.5127.8-179.3-48.10000110.6K551 L552 V553 V565K551-T563 HydrophobicContact CB-CG2 4.21Å; L552-T563 CarbonylContact O-C 3.58Å; L552-T563 WeakPolarHBondContact O-CA 3.22Å; V553-T563 HydrophobicContact CG2-CG2 4.11Å; T563-V565 HydrophobicContact CG2-CG2 4.2Å
564V84.9Confident79.4Confident7 Ų764.8 Ų64.84%0.04236%0.358CS..EExtended strand (participates in β ladder)trans-101.1116.3170.5-171.10000108L520 L552 F562 L566L520-V564 HydrophobicContact CD1-CG2 4.05Å; L520-V564 HydrophobicContact CD2-CG2 4.39Å; L552-V564 HydrophobicContact CB-CB 4.48Å; L552-V564 PolarHBondContact N-O 2.9Å; L552-V564 PolarHBondContact O-N 3.46Å; F562-V564 HydrophobicContact CD2-CG2 3.97Å; F562-V564 HydrophobicContact CE2-CG2 3.73Å; V564-L566 HydrophobicContact CG1-CD1 4.41Å; V564-L566 HydrophobicContact CG1-CD2 3.84Å; V564-L566 HydrophobicContact CG1-CG 3.98Å
565V86.4Confident79.1Confident26 Ų2667.1 Ų67.116%0.15838%0.378CS..EExtended strand (participates in β ladder)trans-100.8121177.5-172.20000108.8L467 D549 K551 T563L467-V565 HydrophobicContact CB-CB 4.26Å; L467-V565 HydrophobicContact CB-CG1 4.29Å; L467-V565 HydrophobicContact CD1-CG1 3.99Å; L467-V565 HydrophobicContact CG-CG1 4.45Å; L467-V565 PolarHBondContact N-O 2.72Å; D549-V565 HydrophobicContact CB-CG1 4.2Å; K551-V565 HydrophobicContact CG-CG1 4.16Å; K551-V565 HydrophobicContact CG-CG2 4.19Å; T563-V565 HydrophobicContact CG2-CG2 4.2Å
566L87.5Confident78.9Confident0 Ų062.8 Ų62.80%036%0.362CS..EExtended strand (participates in β ladder)trans-122.8126.8-174.5-61.5175.7000110L464 Q466 F500 D549 F550 L552 V564L464-L566 HydrophobicContact CD1-CB 4.41Å; L464-L566 HydrophobicContact CD1-CD1 4.05Å; Q466-L566 HydrophobicContact CB-CD2 4.08Å; Q466-L566 HydrophobicContact CG-CD2 4.27Å; F500-L566 HydrophobicContact CE1-CD1 3.67Å; F500-L566 HydrophobicContact CZ-CD1 3.72Å; D549-L566 CarbonylContact C-O 3.46Å; D549-L566 VanDerWaalsContact CA-O 3.23Å; D549-L566 WeakPolarHBondContact CA-O 3.48Å; F550-L566 WeakPolarHBondContact CD1-O 3.44Å; F550-L566 HydrophobicContact CE1-CB 4.07Å; F550-L566 HydrophobicContact CE2-CB 4.11Å; F550-L566 HydrophobicContact CE2-CD1 3.96Å; F550-L566 HydrophobicContact CZ-CB 3.83Å; F550-L566 HydrophobicContact CZ-CD1 3.99Å; F550-L566 PolarHBondContact N-O 3.29Å; F550-L566 PolarHBondContact O-N 3.41Å; L552-L566 HydrophobicContact CD1-CD1 4.27Å; V564-L566 HydrophobicContact CG1-CD1 4.41Å; V564-L566 HydrophobicContact CG1-CD2 3.84Å; V564-L566 HydrophobicContact CG1-CG 3.98Å
567L87.1Confident79.8Confident17 Ų1761.1 Ų61.19%0.08935%0.351CS..EExtended strand (participates in β ladder)trans-99.2122.8175.6-17499.6000109.8I465 F545 L548 D549I465-L567 HydrophobicContact CB-CB 4.29Å; I465-L567 HydrophobicContact CB-CD2 4.44Å; I465-L567 HydrophobicContact CD1-CD2 4.43Å; I465-L567 PolarHBondContact N-O 3.29Å; I465-L567 PolarHBondContact O-N 3.38Å; F545-L567 HydrophobicContact CB-CD1 4.36Å; F545-L567 HydrophobicContact CD1-CD1 4.5Å; F545-L567 HydrophobicContact CD1-CD2 4.34Å; F545-L567 WeakPolarHBondContact O-CD1 3.44Å; L548-L567 HydrophobicContact CB-CD1 3.92Å; L548-L567 HydrophobicContact CB-CG 4.3Å; D549-L567 HydrophobicContact CB-CD1 4.15Å
568A87.1Confident80.9Confident1 Ų156.4 Ų56.41%0.00832%0.318CS..  trans-82.3154.2173.800000111.8L464 L548 S570 E573 K574L464-A568 HydrophobicContact CD2-CB 4.1Å; L548-A568 PolarHBondContact O-N 3.23Å; A568-S570 VanDerWaalsContact C-N 3.31Å; A568-S570 PolarHBondContact O-N 2.99Å; A568-E573 HydrophobicContact CB-CB 4.25Å; A568-K574 HydrophobicContact CB-CB 3.84Å
569P82.7Confident81.8Confident94 Ų9452 Ų5261%0.6130%0.3SS*.SBendtrans-76.4-13-179.130.8-36.3000114.3E573P569-E573 HydrophobicContact CG-CB 4.13Å; P569-E573 HydrophobicContact CG-CG 4.02Å
570S83.2Confident82.4Confident35 Ų3550.2 Ų50.225%0.24529%0.285CS..SBendtrans-154.6165.1176.673.50000111.5A568 Q572 E573 K574A568-S570 VanDerWaalsContact C-N 3.31Å; A568-S570 PolarHBondContact O-N 2.99Å; S570-Q572 VanDerWaalsContact C-N 3.28Å; S570-Q572 PolarHBondContact O-N 3.09Å; S570-E573 PolarHBondContact O-N 2.89Å; S570-E573 WeakPolarHBondContact OG-CB 3.45Å; S570-E573 PolarHBondContact OG-N 2.93Å; S570-K574 PolarHBondContact O-N 3.49Å
571R78.7Confident83.2Confident152 Ų15244.1 Ų44.157%0.57425%0.248SC*.Hα-helixtrans-67-32.6176.7-164.1-179.4-171.9-163.55.1111.5D532 L548 K574 A575D532-R571 IonicContact OD2-CZ 3.73Å; D532-R571 IonicContact OD2-NH2 2.66Å; D532-R571 PolarHBondContact OD2-NH2 3.24Å; L548-R571 HydrophobicContact CD2-CB 4.02Å; R571-K574 PolarHBondContact O-N 3.05Å; R571-A575 WeakPolarHBondContact O-CB 3.26Å; R571-A575 PolarHBondContact O-N 2.98Å
572Q79.1Confident83.4Confident146 Ų14642.9 Ų42.968%0.68224%0.239SC*.Hα-helixtrans-66-44.4174.1-63.580.8-2.200111.3S570 A576S570-Q572 VanDerWaalsContact C-N 3.28Å; S570-Q572 PolarHBondContact O-N 3.09Å; Q572-A576 WeakPolarHBondContact O-CB 3.41Å; Q572-A576 PolarHBondContact O-N 3.37Å
573E83Confident82.8Confident70 Ų7045.7 Ų45.733%0.32725%0.253SS..Hα-helixtrans-66-43.4174.1-77.8-69.1136.500111.1A568 P569 S570 A575 A576 W577A568-E573 HydrophobicContact CB-CB 4.25Å; P569-E573 HydrophobicContact CG-CB 4.13Å; P569-E573 HydrophobicContact CG-CG 4.02Å; S570-E573 PolarHBondContact O-N 2.89Å; S570-E573 WeakPolarHBondContact OG-CB 3.45Å; S570-E573 PolarHBondContact OG-N 2.93Å; E573-A575 PolarHBondContact O-N 2.67Å; E573-A576 PolarHBondContact O-N 3.45Å; E573-W577 PolarHBondContact O-N 3.05Å; E573-W577 PolarHBondContact OE2-NE1 3.03Å; E573-W577 VanDerWaalsContact OE2-NE1 3.11Å
574K84.9Confident82.4Confident15 Ų1543.4 Ų43.47%0.06524%0.239CC..Hα-helixtrans-52.3-55.3174172.9167.6161.4171.30111.1E529 Q547 D549 A568 S570 R571 A576 W577 T578E529-K574 WeakPolarHBondContact OE1-CE 3.14Å; E529-K574 IonicContact OE1-NZ 3.61Å; Q547-K574 VanDerWaalsContact O-CD 3.25Å; Q547-K574 WeakPolarHBondContact O-CD 3.44Å; Q547-K574 PolarHBondContact O-NZ 3.28Å; D549-K574 WeakPolarHBondContact O-CE 3.29Å; D549-K574 PolarHBondContact O-NZ 3.4Å; A568-K574 HydrophobicContact CB-CB 3.84Å; S570-K574 PolarHBondContact O-N 3.49Å; R571-K574 PolarHBondContact O-N 3.05Å; K574-A576 VanDerWaalsContact C-N 3.28Å; K574-A576 PolarHBondContact O-N 2.56Å; K574-W577 PolarHBondContact O-N 3.16Å; K574-T578 HydrophobicContact CG-CG2 4.26Å; K574-T578 WeakPolarHBondContact O-CG2 3.33Å; K574-T578 PolarHBondContact O-N 3.37Å; K574-T578 PolarHBondContact O-OG1 3.34Å; K574-T578 VanDerWaalsContact O-OG1 3.12Å
575A80.1Confident82.2Confident53 Ų5343.4 Ų43.444%0.43824%0.239SC..Hα-helixtrans-60.1-36.1-179.800000112.9R571 E573 T578 S579R571-A575 WeakPolarHBondContact O-CB 3.26Å; R571-A575 PolarHBondContact O-N 2.98Å; E573-A575 PolarHBondContact O-N 2.67Å; A575-T578 PolarHBondContact O-OG1 3.19Å; A575-S579 WeakPolarHBondContact O-CB 3.49Å; A575-S579 PolarHBondContact O-N 3.17Å
576A78.9Confident81.4Confident26 Ų2645.9 Ų45.922%0.21525%0.251CS..Hα-helixtrans-71.1-39177.100000112.7Q572 E573 K574 D580Q572-A576 WeakPolarHBondContact O-CB 3.41Å; Q572-A576 PolarHBondContact O-N 3.37Å; E573-A576 PolarHBondContact O-N 3.45Å; K574-A576 VanDerWaalsContact C-N 3.28Å; K574-A576 PolarHBondContact O-N 2.56Å; A576-D580 WeakPolarHBondContact O-CB 3.13Å; A576-D580 PolarHBondContact O-N 3.47Å; A576-D580 VanDerWaalsContact O-N 3.16Å
577W90Very high80.2Confident0 Ų049.5 Ų49.50%027%0.271CS..Hα-helixtrans-71.2-43.1174.2-77.2100000112.2R460 L464 C493 L495 F500 F550 E573 K574 I581R460-W577 HydrophobicContact CB-CH2 4.17Å; R460-W577 HydrophobicContact CB-CZ3 4.12Å; R460-W577 VanDerWaalsContact CD-CE2 3.44Å; R460-W577 HydrophobicContact CG-CD2 4.45Å; R460-W577 HydrophobicContact CG-CE3 4.32Å; R460-W577 HydrophobicContact CG-CH2 3.62Å; R460-W577 HydrophobicContact CG-CZ2 3.72Å; R460-W577 HydrophobicContact CG-CZ3 3.91Å; L464-W577 HydrophobicContact CD1-CD2 4.11Å; L464-W577 HydrophobicContact CD1-CE3 4.39Å; L464-W577 HydrophobicContact CD1-CG 4.47Å; L464-W577 HydrophobicContact CD2-CG 4.45Å; C493-W577 HydrophobicContact CB-CH2 4.23Å; L495-W577 HydrophobicContact CB-CZ3 4.07Å; F500-W577 AromaticContact CE2-CE3 3.95Å; F500-W577 HydrophobicContact CE2-CE3 3.95Å; F500-W577 AromaticContact CE2-CZ3 3.68Å; F500-W577 HydrophobicContact CE2-CZ3 3.68Å; F500-W577 HydrophobicContact CZ-CZ3 4.49Å; F550-W577 HydrophobicContact CE1-CB 4.07Å; F550-W577 HydrophobicContact CZ-CB 4.01Å; E573-W577 PolarHBondContact O-N 3.05Å; E573-W577 PolarHBondContact OE2-NE1 3.03Å; E573-W577 VanDerWaalsContact OE2-NE1 3.11Å; K574-W577 PolarHBondContact O-N 3.16Å; W577-I581 HydrophobicContact CB-CD1 4.48Å; W577-I581 HydrophobicContact CE3-CD1 4.33Å; W577-I581 VanDerWaalsContact O-CB 3.26Å; W577-I581 WeakPolarHBondContact O-CB 3.38Å; W577-I581 WeakPolarHBondContact O-CD1 3.29Å; W577-I581 WeakPolarHBondContact O-CG1 3.15Å; W577-I581 PolarHBondContact O-N 3.19Å
578T86.3Confident79.3Confident11 Ų1149.9 Ų49.97%0.06727%0.272CS..Hα-helixtrans-66.7-41.9178.956.10000111.7L527 F550 K574 A575 S582L527-T578 HydrophobicContact CD1-CG2 4.36Å; L527-T578 HydrophobicContact CD2-CG2 4.39Å; L527-T578 WeakPolarHBondContact CD2-O 3.44Å; F550-T578 HydrophobicContact CB-CG2 3.75Å; F550-T578 HydrophobicContact CD1-CG2 4.17Å; F550-T578 HydrophobicContact CD2-CG2 4.34Å; F550-T578 HydrophobicContact CG-CG2 3.85Å; K574-T578 HydrophobicContact CG-CG2 4.26Å; K574-T578 WeakPolarHBondContact O-CG2 3.33Å; K574-T578 PolarHBondContact O-N 3.37Å; K574-T578 PolarHBondContact O-OG1 3.34Å; K574-T578 VanDerWaalsContact O-OG1 3.12Å; A575-T578 PolarHBondContact O-OG1 3.19Å; T578-S582 WeakPolarHBondContact O-CB 3.39Å; T578-S582 PolarHBondContact O-N 2.85Å
579S80.6Confident78.2Confident68 Ų6855.1 Ų55.148%0.47629%0.292SS..Hα-helixtrans-57.7-56.6173.7178.90000112A575 I581 S582 Q583A575-S579 WeakPolarHBondContact O-CB 3.49Å; A575-S579 PolarHBondContact O-N 3.17Å; S579-I581 VanDerWaalsContact C-N 3.34Å; S579-I581 PolarHBondContact O-N 2.93Å; S579-S582 PolarHBondContact O-N 3.34Å; S579-Q583 WeakPolarHBondContact O-CB 3.3Å; S579-Q583 PolarHBondContact O-N 3.27Å
580D79.2Confident76.7Confident28 Ų2854.3 Ų54.315%0.1529%0.287CS..Hα-helixtrans-65.7-37-175.9-67.410.6000111.9V459 R460 L495 A576 C584V459-D580 HydrophobicContact CG1-CB 4.35Å; R460-D580 IonicContact CZ-OD2 2.71Å; R460-D580 IonicContact NE-OD2 3.75Å; R460-D580 PolarHBondContact NE-OD2 3.5Å; R460-D580 IonicContact NH2-OD1 2.65Å; R460-D580 IonicContact NH2-OD2 3.73Å; R460-D580 PolarHBondContact NH2-OD2 3.32Å; L495-D580 HydrophobicContact CD2-CB 3.64Å; A576-D580 WeakPolarHBondContact O-CB 3.13Å; A576-D580 PolarHBondContact O-N 3.47Å; A576-D580 VanDerWaalsContact O-N 3.16Å; D580-C584 PolarHBondContact O-N 2.74Å; D580-C584 PolarHBondContact O-SG 2.77Å
581I86.9Confident75Confident0 Ų057.1 Ų57.10%030%0.3CS..Hα-helixtrans-67.6-46.5176.6-67.8166.3000110.7L495 F500 L522 L527 F550 L552 W577 S579 Q583 C584 I585L495-I581 HydrophobicContact CD1-CG1 4.14Å; L495-I581 HydrophobicContact CD2-CG1 4.02Å; F500-I581 HydrophobicContact CD2-CD1 4.29Å; F500-I581 HydrophobicContact CD2-CG1 4.45Å; F500-I581 HydrophobicContact CE2-CD1 3.91Å; F500-I581 HydrophobicContact CE2-CG1 4.45Å; F500-I581 HydrophobicContact CZ-CD1 4.49Å; L522-I581 HydrophobicContact CD2-CG2 4.32Å; L527-I581 HydrophobicContact CD2-CG2 4.43Å; F550-I581 HydrophobicContact CE2-CD1 3.74Å; F550-I581 HydrophobicContact CZ-CD1 4.13Å; L552-I581 HydrophobicContact CD2-CG2 4.01Å; W577-I581 HydrophobicContact CB-CD1 4.48Å; W577-I581 HydrophobicContact CE3-CD1 4.33Å; W577-I581 VanDerWaalsContact O-CB 3.26Å; W577-I581 WeakPolarHBondContact O-CB 3.38Å; W577-I581 WeakPolarHBondContact O-CD1 3.29Å; W577-I581 WeakPolarHBondContact O-CG1 3.15Å; W577-I581 PolarHBondContact O-N 3.19Å; S579-I581 VanDerWaalsContact C-N 3.34Å; S579-I581 PolarHBondContact O-N 2.93Å; I581-Q583 VanDerWaalsContact C-N 3.35Å; I581-Q583 PolarHBondContact O-N 2.97Å; I581-C584 PolarHBondContact O-N 3.18Å; I581-I585 HydrophobicContact CG2-CD1 3.78Å; I581-I585 HydrophobicContact CG2-CG1 4.39Å; I581-I585 WeakPolarHBondContact O-CG1 3.34Å; I581-I585 PolarHBondContact O-N 2.89Å
582S80Confident73.3Confident44 Ų4451.5 Ų51.531%0.30829%0.289SS..Hα-helixtrans-58.2-50.2175.5-163.70000110T578 S579 C584 I585 D586T578-S582 WeakPolarHBondContact O-CB 3.39Å; T578-S582 PolarHBondContact O-N 2.85Å; S579-S582 PolarHBondContact O-N 3.34Å; S582-C584 PolarHBondContact O-N 2.64Å; S582-I585 PolarHBondContact O-N 3.16Å; S582-D586 WeakPolarHBondContact O-CB 3.23Å; S582-D586 VanDerWaalsContact O-CG 3.23Å; S582-D586 PolarHBondContact O-N 3.4Å; S582-D586 PolarHBondContact OG-OD2 2.8Å
583Q70.1Confident71.6Confident113 Ų11349.6 Ų49.653%0.52828%0.283SS..Hα-helixtrans-57.6-35.9179.8-169.2178.322.800112.4S579 I581 N587S579-Q583 WeakPolarHBondContact O-CB 3.3Å; S579-Q583 PolarHBondContact O-N 3.27Å; I581-Q583 VanDerWaalsContact C-N 3.35Å; I581-Q583 PolarHBondContact O-N 2.97Å; Q583-N587 WeakPolarHBondContact O-CB 3.45Å; Q583-N587 PolarHBondContact O-N 3.45Å; Q583-N587 PolarHBondContact O-ND2 3.17Å; Q583-N587 VanDerWaalsContact O-ND2 3.08Å
584C74.3Confident69.4Low6 Ų651.5 Ų51.54%0.04129%0.293CS..Hα-helixtrans-67.4-49172.2-670000112L495 L522 D580 I581 S582 D586 N587 I588L495-C584 HydrophobicContact CD1-CB 4.41Å; L522-C584 HydrophobicContact CD1-CB 3.76Å; D580-C584 PolarHBondContact O-N 2.74Å; D580-C584 PolarHBondContact O-SG 2.77Å; I581-C584 PolarHBondContact O-N 3.18Å; S582-C584 PolarHBondContact O-N 2.64Å; C584-D586 PolarHBondContact O-N 2.91Å; C584-N587 PolarHBondContact O-N 3.03Å; C584-I588 VanDerWaalsContact O-CD1 3.31Å; C584-I588 WeakPolarHBondContact O-CD1 3.36Å; C584-I588 WeakPolarHBondContact O-CG1 3.46Å; C584-I588 PolarHBondContact O-N 3.09Å
585I80.5Confident67.1Low7 Ų753.2 Ų53.24%0.03631%0.305CS..Hα-helixtrans-58.9-46.2178.1-64169.5000110.9L522 C525 L527 I581 S582 I588 R589L522-I585 HydrophobicContact CB-CG1 4.21Å; L522-I585 HydrophobicContact CD2-CD1 4.48Å; L522-I585 HydrophobicContact CD2-CG1 4.16Å; C525-I585 HydrophobicContact CB-CD1 4.02Å; L527-I585 HydrophobicContact CB-CD1 4.29Å; I581-I585 HydrophobicContact CG2-CD1 3.78Å; I581-I585 HydrophobicContact CG2-CG1 4.39Å; I581-I585 WeakPolarHBondContact O-CG1 3.34Å; I581-I585 PolarHBondContact O-N 2.89Å; S582-I585 PolarHBondContact O-N 3.16Å; I585-I588 PolarHBondContact O-N 3.23Å; I585-R589 WeakPolarHBondContact O-CG 3.27Å; I585-R589 PolarHBondContact O-N 2.86Å
586D68.3Low65Low77 Ų7753.4 Ų53.441%0.41230%0.303SS..Hα-helixtrans-65.2-42179.3-64.5-43.3000111.4S582 C584 R589 C590S582-D586 WeakPolarHBondContact O-CB 3.23Å; S582-D586 VanDerWaalsContact O-CG 3.23Å; S582-D586 PolarHBondContact O-N 3.4Å; S582-D586 PolarHBondContact OG-OD2 2.8Å; C584-D586 PolarHBondContact O-N 2.91Å; D586-R589 PolarHBondContact O-N 3.44Å; D586-C590 WeakPolarHBondContact O-CB 3.23Å; D586-C590 PolarHBondContact O-N 2.88Å; D586-C590 PolarHBondContact O-SG 3.28Å
587N63.2Low63Low77 Ų7754.4 Ų54.441%0.41231%0.307SS..Hα-helixtrans-64.6-38.4172.9-78.7-27.3000112.4Q583 C584 N591Q583-N587 WeakPolarHBondContact O-CB 3.45Å; Q583-N587 PolarHBondContact O-N 3.45Å; Q583-N587 PolarHBondContact O-ND2 3.17Å; Q583-N587 VanDerWaalsContact O-ND2 3.08Å; C584-N587 PolarHBondContact O-N 3.03Å; N587-N591 WeakPolarHBondContact O-CB 3.42Å; N587-N591 VanDerWaalsContact O-CG 3.32Å; N587-N591 PolarHBondContact O-N 3.07Å; N587-N591 PolarHBondContact O-ND2 3.12Å; N587-N591 VanDerWaalsContact O-ND2 3.13Å
588I68.6Low60.3Low25 Ų2560.4 Ų60.413%0.12833%0.333CS..Hα-helixtrans-67.4-37.4175.9-64.2156.4000110.7T497 L522 I523 C584 I585 G592T497-I588 VanDerWaalsContact O-CD1 3.27Å; T497-I588 WeakPolarHBondContact O-CD1 3.3Å; T497-I588 WeakPolarHBondContact O-CG1 3.39Å; L522-I588 HydrophobicContact CB-CD1 3.33Å; L522-I588 HydrophobicContact CD1-CD1 4.14Å; L522-I588 HydrophobicContact CG-CD1 4.38Å; I523-I588 HydrophobicContact CB-CG2 3.82Å; I523-I588 HydrophobicContact CD1-CG2 4.03Å; I523-I588 HydrophobicContact CG1-CG2 3.86Å; C584-I588 VanDerWaalsContact O-CD1 3.31Å; C584-I588 WeakPolarHBondContact O-CD1 3.36Å; C584-I588 WeakPolarHBondContact O-CG1 3.46Å; C584-I588 PolarHBondContact O-N 3.09Å; I585-I588 PolarHBondContact O-N 3.23Å; I588-G592 WeakPolarHBondContact O-CA 3.24Å; I588-G592 PolarHBondContact O-N 2.88Å
589R64.4Low57.7Low111 Ų11166 Ų6642%0.41936%0.358SS..Hα-helixtrans-70.9-46176.8-71.2174.2-178.2-1712.1111.4C525 I585 D586 G592 L593C525-R589 PolarHBondContact O-NH2 3.26Å; I585-R589 WeakPolarHBondContact O-CG 3.27Å; I585-R589 PolarHBondContact O-N 2.86Å; D586-R589 PolarHBondContact O-N 3.44Å; R589-G592 PolarHBondContact O-N 2.82Å; R589-L593 WeakPolarHBondContact O-CB 3.37Å; R589-L593 VanDerWaalsContact O-CG 3.32Å; R589-L593 WeakPolarHBondContact O-CG 3.46Å; R589-L593 PolarHBondContact O-N 2.94Å
590C49.6Very low55.4Low76 Ų7668.2 Ų68.251%0.51436%0.361SS..Hα-helixtrans-63.8-44.1176.2-71.30000112.5D586 L593 M594D586-C590 WeakPolarHBondContact O-CB 3.23Å; D586-C590 PolarHBondContact O-N 2.88Å; D586-C590 PolarHBondContact O-SG 3.28Å; C590-L593 PolarHBondContact O-N 3.14Å; C590-M594 WeakPolarHBondContact O-CB 3.25Å; C590-M594 VanDerWaalsContact O-CG 3.32Å; C590-M594 WeakPolarHBondContact O-CG 3.38Å; C590-M594 PolarHBondContact O-N 2.94Å
591N47.6Very low53.4Low95 Ų9568.8 Ų68.851%0.50836%0.364SS..Hα-helixtrans-69.9-36.8172.4-71.6-38.6000111.5N587 L593 M594 T595N587-N591 WeakPolarHBondContact O-CB 3.42Å; N587-N591 VanDerWaalsContact O-CG 3.32Å; N587-N591 PolarHBondContact O-N 3.07Å; N587-N591 PolarHBondContact O-ND2 3.12Å; N587-N591 VanDerWaalsContact O-ND2 3.13Å; N591-L593 VanDerWaalsContact C-N 3.28Å; N591-L593 PolarHBondContact O-N 3.49Å; N591-M594 PolarHBondContact O-N 2.93Å; N591-T595 WeakPolarHBondContact O-CA 3.34Å; N591-T595 WeakPolarHBondContact O-CB 3.4Å; N591-T595 PolarHBondContact O-N 2.84Å; N591-T595 PolarHBondContact O-OG1 3.07Å
592G44.5Very low50.6Low34 Ų3472.4 Ų72.435%0.35139%0.389SS..Hα-helixtrans-59.6-38.817500000112.3I588 R589 S596I588-G592 WeakPolarHBondContact O-CA 3.24Å; I588-G592 PolarHBondContact O-N 2.88Å; R589-G592 PolarHBondContact O-N 2.82Å; G592-S596 WeakPolarHBondContact O-CB 3.32Å; G592-S596 PolarHBondContact O-N 3.34Å; G592-S596 PolarHBondContact O-OG 3.33Å
593L43.1Very low48.5Very low105 Ų10576.8 Ų76.855%0.5541%0.408SS..Hα-helixtrans-73.4-47.6174.7-69.8166.4000112.4R589 C590 N591 S596 V597R589-L593 WeakPolarHBondContact O-CB 3.37Å; R589-L593 VanDerWaalsContact O-CG 3.32Å; R589-L593 WeakPolarHBondContact O-CG 3.46Å; R589-L593 PolarHBondContact O-N 2.94Å; C590-L593 PolarHBondContact O-N 3.14Å; N591-L593 VanDerWaalsContact C-N 3.28Å; N591-L593 PolarHBondContact O-N 3.49Å; L593-S596 PolarHBondContact O-OG 2.91Å; L593-S596 VanDerWaalsContact O-OG 3.1Å; L593-V597 WeakPolarHBondContact O-CB 3.26Å; L593-V597 VanDerWaalsContact O-CG2 3.22Å; L593-V597 WeakPolarHBondContact O-CG2 3.47Å; L593-V597 PolarHBondContact O-N 2.85Å; L593-V597 VanDerWaalsContact O-N 3.15Å
594M37.2Very low46.8Very low110 Ų11072.8 Ų72.854%0.54239%0.391SS..Hα-helixtrans-63.7-48.3177.3-74.2-75.5-78.500111.6C590 N591 V597 F598C590-M594 WeakPolarHBondContact O-CB 3.25Å; C590-M594 VanDerWaalsContact O-CG 3.32Å; C590-M594 WeakPolarHBondContact O-CG 3.38Å; C590-M594 PolarHBondContact O-N 2.94Å; N591-M594 PolarHBondContact O-N 2.93Å; M594-V597 CarbonylContact O-C 3.57Å; M594-V597 PolarHBondContact O-N 3.09Å; M594-F598 HydrophobicContact CE-CE2 3.9Å; M594-F598 WeakPolarHBondContact O-CB 3.1Å; M594-F598 WeakPolarHBondContact O-CD2 3.08Å; M594-F598 PolarHBondContact O-N 3.03Å; M594-F598 HydrophobicContact SD-CE2 4.27Å
595T36.2Very low45Very low51 Ų5175.6 Ų75.631%0.31341%0.411SS..Hα-helixtrans-73.5-32.5-177.7-49.90000111.7N591 V597 F598 E599N591-T595 WeakPolarHBondContact O-CA 3.34Å; N591-T595 WeakPolarHBondContact O-CB 3.4Å; N591-T595 PolarHBondContact O-N 2.84Å; N591-T595 PolarHBondContact O-OG1 3.07Å; T595-V597 VanDerWaalsContact C-N 3.33Å; T595-V597 PolarHBondContact O-N 2.68Å; T595-F598 CarbonylContact O-C 3.58Å; T595-F598 PolarHBondContact O-N 3.09Å; T595-E599 HydrophobicContact CG2-CB 4.27Å; T595-E599 HydrophobicContact CG2-CG 3.52Å; T595-E599 WeakPolarHBondContact CG2-OE2 3.45Å; T595-E599 WeakPolarHBondContact O-CA 3.43Å; T595-E599 WeakPolarHBondContact O-CB 3.08Å; T595-E599 PolarHBondContact O-N 3.31Å
596S35.3Very low43.1Very low58 Ų5878.6 Ų78.641%0.40643%0.43SS..Hα-helixtrans-63.2-41167.854.70000111.8G592 L593 F598 E600G592-S596 WeakPolarHBondContact O-CB 3.32Å; G592-S596 PolarHBondContact O-N 3.34Å; G592-S596 PolarHBondContact O-OG 3.33Å; L593-S596 PolarHBondContact O-OG 2.91Å; L593-S596 VanDerWaalsContact O-OG 3.1Å; S596-F598 VanDerWaalsContact C-N 3.27Å; S596-F598 PolarHBondContact O-N 3.41Å; S596-E600 WeakPolarHBondContact O-CB 3.45Å; S596-E600 PolarHBondContact O-N 2.83Å
597V36.8Very low41.9Very low47 Ų4778.1 Ų78.129%0.28543%0.431SS..Hα-helixtrans-66.3-24.4174.5172.10000113.1L593 M594 T595 N601 I917L593-V597 WeakPolarHBondContact O-CB 3.26Å; L593-V597 VanDerWaalsContact O-CG2 3.22Å; L593-V597 WeakPolarHBondContact O-CG2 3.47Å; L593-V597 PolarHBondContact O-N 2.85Å; L593-V597 VanDerWaalsContact O-N 3.15Å; M594-V597 CarbonylContact O-C 3.57Å; M594-V597 PolarHBondContact O-N 3.09Å; T595-V597 VanDerWaalsContact C-N 3.33Å; T595-V597 PolarHBondContact O-N 2.68Å; V597-N601 PolarHBondContact O-ND2 2.91Å; V597-I917 HydrophobicContact CG1-CD1 4.42Å; V597-I917 HydrophobicContact CG2-CD1 3.49Å; V597-I917 VanDerWaalsContact CG2-CD1 3.49Å; V597-I917 HydrophobicContact CG2-CG1 4.41Å
598F33.5Very low40.9Very low125 Ų12578.1 Ų78.155%0.54843%0.428SS..Hα-helixtrans-106.4-19.5179.7-72.8-60.2000115.8M594 T595 S596 N601 S602M594-F598 HydrophobicContact CE-CE2 3.9Å; M594-F598 WeakPolarHBondContact O-CB 3.1Å; M594-F598 WeakPolarHBondContact O-CD2 3.08Å; M594-F598 PolarHBondContact O-N 3.03Å; M594-F598 HydrophobicContact SD-CE2 4.27Å; T595-F598 CarbonylContact O-C 3.58Å; T595-F598 PolarHBondContact O-N 3.09Å; S596-F598 VanDerWaalsContact C-N 3.27Å; S596-F598 PolarHBondContact O-N 3.41Å; F598-N601 CarbonylContact O-C 3.57Å; F598-S602 VanDerWaalsContact O-CA 3.32Å; F598-S602 WeakPolarHBondContact O-CA 3.32Å; F598-S602 VanDerWaalsContact O-CB 3.28Å; F598-S602 WeakPolarHBondContact O-CB 3.27Å; F598-S602 PolarHBondContact O-N 3.41Å
599E32.7Very low40.1Very low128 Ų12877.9 Ų77.960%0.59843%0.426SS*.Hα-helixtrans-93.5-36.1177.2-79.7-176156.500113.3T595 N601 S602T595-E599 HydrophobicContact CG2-CB 4.27Å; T595-E599 HydrophobicContact CG2-CG 3.52Å; T595-E599 WeakPolarHBondContact CG2-OE2 3.45Å; T595-E599 WeakPolarHBondContact O-CA 3.43Å; T595-E599 WeakPolarHBondContact O-CB 3.08Å; T595-E599 PolarHBondContact O-N 3.31Å; E599-N601 PolarHBondContact O-N 2.71Å; E599-S602 PolarHBondContact O-N 2.97Å; E599-S602 PolarHBondContact O-OG 3.12Å
600E31.8Very low39.8Very low115 Ų11573.3 Ų73.354%0.53741%0.41SS..THydrogen-bonded Turntrans-62.1-14.1163.7-67.6-151.3150.800111.7S596 T702 N703S596-E600 WeakPolarHBondContact O-CB 3.45Å; S596-E600 PolarHBondContact O-N 2.83Å; E600-T702 WeakPolarHBondContact O-CB 3.49Å; E600-T702 PolarHBondContact O-OG1 3.48Å; E600-N703 PolarHBondContact OE1-ND2 3.28Å; E600-N703 PolarHBondContact OE2-ND2 3.42Å
601N37Very low40.2Very low40 Ų4076.3 Ų76.321%0.21442%0.415CS..THydrogen-bonded Turntrans-107.8-2.1171.3-72.7-50.5000114.4V597 F598 E599 I603 V604V597-N601 PolarHBondContact O-ND2 2.91Å; F598-N601 CarbonylContact O-C 3.57Å; E599-N601 PolarHBondContact O-N 2.71Å; N601-I603 PolarHBondContact O-N 2.69Å; N601-V604 CarbonylContact O-C 3.06Å; N601-V604 WeakPolarHBondContact O-CA 3.49Å; N601-V604 PolarHBondContact O-N 2.94Å; N601-V604 VanDerWaalsContact O-O 3.07Å
602S28.7Very low40.7Very low76 Ų7675.7 Ų75.753%0.53141%0.411SS..G310 helixtrans-77.6-20.2-169.567.20000114.1F598 E599 V604F598-S602 VanDerWaalsContact O-CA 3.32Å; F598-S602 WeakPolarHBondContact O-CA 3.32Å; F598-S602 VanDerWaalsContact O-CB 3.28Å; F598-S602 WeakPolarHBondContact O-CB 3.27Å; F598-S602 PolarHBondContact O-N 3.41Å; E599-S602 PolarHBondContact O-N 2.97Å; E599-S602 PolarHBondContact O-OG 3.12Å; S602-V604 PolarHBondContact O-N 3.2Å
603I35.8Very low41.7Very low137 Ų13774.7 Ų74.770%0.70340%0.397SS*.G310 helixtrans-62.9-26.4165.2-58.4179.5000110.3N601N601-I603 PolarHBondContact O-N 2.69Å
604V34.2Very low42.9Very low28 Ų2873.1 Ų73.117%0.1739%0.392CS..G310 helixtrans-131.769-173-168.40000111N601 S602 H608 M609 I612 T702N601-V604 CarbonylContact O-C 3.06Å; N601-V604 WeakPolarHBondContact O-CA 3.49Å; N601-V604 PolarHBondContact O-N 2.94Å; N601-V604 VanDerWaalsContact O-O 3.07Å; S602-V604 PolarHBondContact O-N 3.2Å; V604-H608 HydrophobicContact CG1-CB 3.87Å; V604-M609 HydrophobicContact CG1-CB 4.43Å; V604-M609 HydrophobicContact CG1-CG 3.85Å; V604-M609 WeakPolarHBondContact O-CG 3.47Å; V604-I612 HydrophobicContact CG1-CD1 3.67Å; V604-I612 HydrophobicContact CG2-CD1 4.33Å; V604-T702 HydrophobicContact CG2-CG2 4.4Å
605S35.9Very low44.6Very low65 Ų6570.3 Ų70.346%0.45538%0.383SS..  trans-44.6156.1169.964.40000113.1P607 H608 M609S605-P607 VanDerWaalsContact C-N 3.34Å; S605-H608 CarbonylContact O-C 3.57Å; S605-H608 WeakPolarHBondContact O-CA 3.44Å; S605-H608 WeakPolarHBondContact O-CB 3.38Å; S605-H608 PolarHBondContact O-N 3.08Å; S605-M609 PolarHBondContact O-N 2.79Å
606V41.2Very low46.3Very low71 Ų7168 Ų6843%0.4337%0.369SS..Hα-helixtrans-51.5-42.4-179178.60000113.8H608 M609 I610 R653V606-H608 PolarHBondContact O-N 2.88Å; V606-M609 HydrophobicContact CG2-SD 4.27Å; V606-M609 PolarHBondContact O-N 3.17Å; V606-I610 HydrophobicContact CG1-CD1 4.12Å; V606-I610 WeakPolarHBondContact O-CG1 3.31Å; V606-I610 PolarHBondContact O-N 3.04Å; V606-I610 VanDerWaalsContact O-N 3.09Å; V606-R653 WeakPolarHBondContact CG1-O 3.48Å
607P41.8Very low48.2Very low66 Ų6668.9 Ų68.943%0.42937%0.366SS..Hα-helixtrans-60.9-24170.9-24.635.7000114.5S605 K611S605-P607 VanDerWaalsContact C-N 3.34Å; P607-K611 WeakPolarHBondContact O-CD 3.41Å; P607-K611 WeakPolarHBondContact O-CG 3.28Å; P607-K611 PolarHBondContact O-N 3.11Å
608H43.3Very low50.2Low77 Ų7772.5 Ų72.536%0.35638%0.378SS..Hα-helixtrans-83.6-39175.6-150.8-4.9000112.6V604 S605 V606 I610 K611 I612V604-H608 HydrophobicContact CG1-CB 3.87Å; S605-H608 CarbonylContact O-C 3.57Å; S605-H608 WeakPolarHBondContact O-CA 3.44Å; S605-H608 WeakPolarHBondContact O-CB 3.38Å; S605-H608 PolarHBondContact O-N 3.08Å; V606-H608 PolarHBondContact O-N 2.88Å; H608-I610 VanDerWaalsContact C-N 3.26Å; H608-I610 PolarHBondContact O-N 2.74Å; H608-K611 PolarHBondContact O-N 3.11Å; H608-K611 VanDerWaalsContact O-N 3.14Å; H608-I612 VanDerWaalsContact O-CG1 3.3Å; H608-I612 WeakPolarHBondContact O-CG1 3.46Å; H608-I612 PolarHBondContact O-N 3.34Å
609M52.3Low52.7Low20 Ų2071.4 Ų71.410%0.09938%0.378CS..Hα-helixtrans-54.7-47169.4-57.217482.700110.3V604 S605 V606 K611 I612 D613 L698 F699V604-M609 HydrophobicContact CG1-CB 4.43Å; V604-M609 HydrophobicContact CG1-CG 3.85Å; V604-M609 WeakPolarHBondContact O-CG 3.47Å; S605-M609 PolarHBondContact O-N 2.79Å; V606-M609 HydrophobicContact CG2-SD 4.27Å; V606-M609 PolarHBondContact O-N 3.17Å; M609-K611 PolarHBondContact O-N 3.16Å; M609-I612 PolarHBondContact O-N 2.96Å; M609-D613 PolarHBondContact O-N 2.65Å; M609-D613 VanDerWaalsContact O-N 3.11Å; M609-L698 VanDerWaalsContact CE-O 3.23Å; M609-L698 WeakPolarHBondContact CE-O 3.28Å; M609-F699 HydrophobicContact CE-CB 4.48Å; M609-F699 HydrophobicContact CE-CD2 4.19Å
610I57.5Low55.3Low15 Ų1568.5 Ų68.58%0.07737%0.367CS..Hα-helixtrans-60-45.4176.3-69.9169.4000111.2V606 H608 I612 L616 H617 V634 F654V606-I610 HydrophobicContact CG1-CD1 4.12Å; V606-I610 WeakPolarHBondContact O-CG1 3.31Å; V606-I610 PolarHBondContact O-N 3.04Å; V606-I610 VanDerWaalsContact O-N 3.09Å; H608-I610 VanDerWaalsContact C-N 3.26Å; H608-I610 PolarHBondContact O-N 2.74Å; I610-I612 PolarHBondContact O-N 2.83Å; I610-L616 HydrophobicContact CG2-CD1 4.22Å; I610-H617 PolarHBondContact O-CE1 3.13Å; I610-V634 HydrophobicContact CG2-CG2 3.43Å; I610-V634 VanDerWaalsContact CG2-CG2 3.43Å; I610-F654 HydrophobicContact CD1-CB 4.14Å; I610-F654 HydrophobicContact CD1-CD1 3.64Å; I610-F654 HydrophobicContact CD1-CE1 4.23Å; I610-F654 HydrophobicContact CD1-CG 3.96Å; I610-F654 HydrophobicContact CG1-CD1 3.85Å; I610-F654 HydrophobicContact CG1-CE1 4.11Å
611K57.1Low57.8Low139 Ų13969.1 Ų69.160%0.60438%0.378SS*.Hα-helixtrans-65.9-32.6177.9-76.4165.2-174176.10113.9P607 H608 M609P607-K611 WeakPolarHBondContact O-CD 3.41Å; P607-K611 WeakPolarHBondContact O-CG 3.28Å; P607-K611 PolarHBondContact O-N 3.11Å; H608-K611 PolarHBondContact O-N 3.11Å; H608-K611 VanDerWaalsContact O-N 3.14Å; M609-K611 PolarHBondContact O-N 3.16Å
612I57.8Low60.2Low83 Ų8369.1 Ų69.143%0.42638%0.378SS..Hα-helixtrans-77.9-33.6-178.1-70.9168.4000110.8V604 H608 M609 I610 T614V604-I612 HydrophobicContact CG1-CD1 3.67Å; V604-I612 HydrophobicContact CG2-CD1 4.33Å; H608-I612 VanDerWaalsContact O-CG1 3.3Å; H608-I612 WeakPolarHBondContact O-CG1 3.46Å; H608-I612 PolarHBondContact O-N 3.34Å; M609-I612 PolarHBondContact O-N 2.96Å; I610-I612 PolarHBondContact O-N 2.83Å; I612-T614 PolarHBondContact O-N 2.74Å
613D67.3Low63.2Low13 Ų1365.8 Ų65.87%0.0735%0.354CS..  trans-69.596.6175.2-170.7-7.1000111.7M609 S615 L616 H617 R653 L698M609-D613 PolarHBondContact O-N 2.65Å; M609-D613 VanDerWaalsContact O-N 3.11Å; D613-S615 VanDerWaalsContact CG-OG 3.27Å; D613-S615 PolarHBondContact O-N 3.09Å; D613-S615 VanDerWaalsContact OD1-CB 3.29Å; D613-S615 WeakPolarHBondContact OD1-CB 3.35Å; D613-S615 PolarHBondContact OD1-N 3.38Å; D613-S615 PolarHBondContact OD1-OG 3.43Å; D613-S615 PolarHBondContact OD2-OG 3.47Å; D613-L616 HydrophobicContact CB-CD1 4.09Å; D613-L616 HydrophobicContact CB-CG 3.87Å; D613-L616 PolarHBondContact O-N 2.83Å; D613-L616 WeakPolarHBondContact OD2-CG 3.42Å; D613-H617 PolarHBondContact O-ND1 3.08Å; D613-H617 VanDerWaalsContact O-ND1 3.11Å; D613-R653 IonicContact OD2-CZ 3.26Å; D613-R653 IonicContact OD2-NH1 3.77Å; D613-R653 PolarHBondContact OD2-NH1 3.44Å; D613-R653 IonicContact OD2-NH2 2.65Å; D613-R653 PolarHBondContact OD2-NH2 3.47Å; D613-L698 HydrophobicContact CB-CD1 3.91Å
614T67.6Low65.8Low71 Ų7160.6 Ų60.644%0.43633%0.33SS..G310 helixtrans-70.6-12.517977.90000113.7I612 L616 H617 K618I612-T614 PolarHBondContact O-N 2.74Å; T614-L616 VanDerWaalsContact C-N 3.26Å; T614-L616 PolarHBondContact O-N 2.84Å; T614-H617 PolarHBondContact O-N 3.39Å; T614-K618 WeakPolarHBondContact O-CB 3.39Å; T614-K618 WeakPolarHBondContact O-CG 3.3Å; T614-K618 PolarHBondContact O-N 3.12Å; T614-K618 PolarHBondContact OG1-NZ 3.19Å
615S72Confident68.4Low51 Ų5159.7 Ų59.736%0.35732%0.323SS..G310 helixtrans-73.5-18.8172.875.80000112.8D613 H617D613-S615 VanDerWaalsContact CG-OG 3.27Å; D613-S615 PolarHBondContact O-N 3.09Å; D613-S615 VanDerWaalsContact OD1-CB 3.29Å; D613-S615 WeakPolarHBondContact OD1-CB 3.35Å; D613-S615 PolarHBondContact OD1-N 3.38Å; D613-S615 PolarHBondContact OD1-OG 3.43Å; D613-S615 PolarHBondContact OD2-OG 3.47Å; S615-H617 PolarHBondContact O-N 3.31Å
616L72.8Confident70.8Confident4 Ų458 Ų582%0.02131%0.311CS..G310 helixtrans-80.5-5.4172.5-51.3-169.7000113.2I610 D613 T614 V634 F654I610-L616 HydrophobicContact CG2-CD1 4.22Å; D613-L616 HydrophobicContact CB-CD1 4.09Å; D613-L616 HydrophobicContact CB-CG 3.87Å; D613-L616 PolarHBondContact O-N 2.83Å; D613-L616 WeakPolarHBondContact OD2-CG 3.42Å; T614-L616 VanDerWaalsContact C-N 3.26Å; T614-L616 PolarHBondContact O-N 2.84Å; L616-V634 HydrophobicContact CB-CG1 4.24Å; L616-F654 HydrophobicContact CD1-CE1 3.79Å; L616-F654 HydrophobicContact CD1-CZ 4.23Å
617H74.6Confident72.5Confident76 Ų7664.8 Ų64.835%0.35234%0.335SS..SBendtrans-133.90.8-165.4-66.795.6000113.9I610 D613 T614 S615 P635I610-H617 PolarHBondContact O-CE1 3.13Å; D613-H617 PolarHBondContact O-ND1 3.08Å; D613-H617 VanDerWaalsContact O-ND1 3.11Å; T614-H617 PolarHBondContact O-N 3.39Å; S615-H617 PolarHBondContact O-N 3.31Å; H617-P635 VanDerWaalsContact CD2-CD 3.48Å; H617-P635 WeakPolarHBondContact CD2-CD 3.38Å
618K78.9Confident74Confident123 Ų12365.7 Ų65.754%0.53534%0.34SS..SBendtrans-133.6145.2-179.8-67.3170.7-178.9163.60108.9T614 F625T614-K618 WeakPolarHBondContact O-CB 3.39Å; T614-K618 WeakPolarHBondContact O-CG 3.3Å; T614-K618 PolarHBondContact O-N 3.12Å; T614-K618 PolarHBondContact OG1-NZ 3.19Å; K618-F625 WeakPolarHBondContact O-CD2 3.49Å; K618-F625 WeakPolarHBondContact O-CE2 3.42Å
619D86.5Confident75.5Confident102 Ų10266.4 Ų66.455%0.54535%0.346SS..  trans-68.3141.7172.3-54.7-37.5000110.1I623 C624 F625D619-I623 WeakPolarHBondContact CA-O 3.44Å; D619-C624 HydrophobicContact CB-CB 4.48Å; D619-C624 WeakPolarHBondContact OD1-CA 3.48Å; D619-F625 PolarHBondContact OD1-N 3.26Å
620D86.1Confident76.5Confident67 Ų6766.5 Ų66.536%0.35835%0.347SS..BIsolated β-bridgetrans-129.5164.9177.9-165.92.7000108D622 I623 R644D620-D622 PolarHBondContact O-N 2.98Å; D620-I623 HydrophobicContact CB-CG2 3.82Å; D620-I623 PolarHBondContact N-O 2.98Å; D620-I623 CarbonylContact O-C 3.42Å; D620-I623 PolarHBondContact O-N 3.31Å; D620-I623 VanDerWaalsContact O-N 3.14Å; D620-R644 IonicContact OD2-CZ 3.83Å; D620-R644 VanDerWaalsContact OD2-CZ 3.31Å; D620-R644 IonicContact OD2-NH1 3.31Å; D620-R644 PolarHBondContact OD2-NH1 3.01Å; D620-R644 IonicContact OD2-NH2 3.12Å; D620-R644 PolarHBondContact OD2-NH2 3.19Å
621V85.5Confident77Confident128 Ų12869 Ų6978%0.77637%0.366SS*.THydrogen-bonded Turntrans-58.6-26.2-171.2-177.70000112.9
622D88.1Confident77.3Confident40 Ų4064.2 Ų64.221%0.21435%0.349CS..THydrogen-bonded Turntrans-118.95.6-177.259.24.1000113.7D620 A640 S641 R644 L1184D620-D622 PolarHBondContact O-N 2.98Å; D622-A640 CarbonylContact O-C 3.56Å; D622-A640 VanDerWaalsContact O-CA 3.23Å; D622-A640 WeakPolarHBondContact O-CA 3.34Å; D622-S641 PolarHBondContact O-N 2.84Å; D622-R644 HydrophobicContact CB-CG 4.22Å; D622-R644 IonicContact OD1-CZ 3.99Å; D622-R644 IonicContact OD1-NE 2.71Å; D622-R644 PolarHBondContact OD1-NE 3.18Å; D622-R644 VanDerWaalsContact OD1-NE 3.14Å; D622-R644 IonicContact OD1-NH1 3.92Å; D622-R644 IonicContact OD1-NH2 3.83Å; D622-R644 PolarHBondContact OD1-NH2 3.02Å; D622-R644 IonicContact OD2-CZ 2.71Å; D622-R644 IonicContact OD2-NE 3.08Å; D622-R644 PolarHBondContact OD2-NE 3.18Å; D622-R644 IonicContact OD2-NH2 3.83Å; D622-R644 PolarHBondContact OD2-NH2 2.87Å; D622-L1184 HydrophobicContact CB-CD2 4.45Å
623I90.5Very high78Confident5 Ų567.8 Ų67.83%0.02636%0.362CS..EExtended strand (participates in β ladder)trans-154.8120174.9-179.4164.2000112.7D619 D620 F625 I637 A640 R644D619-I623 WeakPolarHBondContact CA-O 3.44Å; D620-I623 HydrophobicContact CB-CG2 3.82Å; D620-I623 PolarHBondContact N-O 2.98Å; D620-I623 CarbonylContact O-C 3.42Å; D620-I623 PolarHBondContact O-N 3.31Å; D620-I623 VanDerWaalsContact O-N 3.14Å; I623-F625 HydrophobicContact CD1-CE1 4.13Å; I623-F625 HydrophobicContact CD1-CE2 4.31Å; I623-F625 HydrophobicContact CD1-CZ 3.67Å; I623-F625 HydrophobicContact CG1-CE1 4.34Å; I623-F625 HydrophobicContact CG1-CE2 3.93Å; I623-F625 HydrophobicContact CG1-CZ 3.78Å; I623-I637 HydrophobicContact CD1-CD1 3.74Å; I623-I637 HydrophobicContact CD1-CG1 4.01Å; I623-I637 HydrophobicContact CG1-CG2 4.41Å; I623-A640 HydrophobicContact CB-CB 4.22Å; I623-A640 HydrophobicContact CD1-CB 4.38Å; I623-A640 HydrophobicContact CG1-CB 4.09Å; I623-R644 HydrophobicContact CB-CB 4.2Å; I623-R644 HydrophobicContact CB-CG 4.23Å; I623-R644 HydrophobicContact CD1-CB 4.3Å; I623-R644 HydrophobicContact CG2-CG 4.2Å
624C90Very high78.4Confident28 Ų2867.2 Ų67.219%0.18936%0.359CS..EExtended strand (participates in β ladder)trans-119.5145.8178.7-67.50000111.6D619 R638 Y639D619-C624 HydrophobicContact CB-CB 4.48Å; D619-C624 WeakPolarHBondContact OD1-CA 3.48Å; C624-R638 WeakPolarHBondContact O-CB 3.29Å; C624-R638 PolarHBondContact O-N 2.95Å; C624-Y639 HydrophobicContact CB-CD2 4Å; C624-Y639 PolarHBondContact N-O 3.1Å; C624-Y639 PolarHBondContact O-N 2.73Å; C624-Y639 VanDerWaalsContact O-O 3.13Å
625F88.9Confident78.9Confident9 Ų964.7 Ų64.74%0.03934%0.343CS..EExtended strand (participates in β ladder)trans-113.1170.7-171.4-64.9-83.8000113.3K618 D619 I623 P635 Q636 I637 R638K618-F625 WeakPolarHBondContact O-CD2 3.49Å; K618-F625 WeakPolarHBondContact O-CE2 3.42Å; D619-F625 PolarHBondContact OD1-N 3.26Å; I623-F625 HydrophobicContact CD1-CE1 4.13Å; I623-F625 HydrophobicContact CD1-CE2 4.31Å; I623-F625 HydrophobicContact CD1-CZ 3.67Å; I623-F625 HydrophobicContact CG1-CE1 4.34Å; I623-F625 HydrophobicContact CG1-CE2 3.93Å; I623-F625 HydrophobicContact CG1-CZ 3.78Å; F625-P635 HydrophobicContact CB-CB 3.93Å; F625-P635 HydrophobicContact CD1-CB 3.81Å; F625-P635 WeakPolarHBondContact CD1-O 3.27Å; F625-P635 HydrophobicContact CG-CB 4.1Å; F625-Q636 CarbonylContact C-O 3.45Å; F625-I637 HydrophobicContact CD1-CG1 4.31Å; F625-I637 HydrophobicContact CE1-CG1 3.98Å; F625-R638 VanDerWaalsContact O-CZ 3.32Å; F625-R638 PolarHBondContact O-NE 3Å; F625-R638 PolarHBondContact O-NH2 2.78Å
626S85.9Confident79.6Confident29 Ų2963.9 Ų63.920%0.20333%0.334CS..EExtended strand (participates in β ladder)trans-115.8164.4170.281.60000110.8T628 Q636S626-T628 PolarHBondContact O-N 3.19Å; S626-T628 PolarHBondContact OG-N 3.4Å; S626-T628 PolarHBondContact OG-O 2.84Å; S626-Q636 PolarHBondContact N-O 3.41Å; S626-Q636 PolarHBondContact OG-O 2.85Å
627K77.9Confident80.4Confident214 Ų21464 Ų6493%0.9333%0.334SS*.EExtended strand (participates in β ladder)trans-73.8-7.6176.6-62.4-179.7-179.4177.40113.2
628T73.9Confident81.2Confident85 Ų8565 Ų6552%0.52134%0.335SS..EExtended strand (participates in β ladder)trans-87.5135.3178.7-48.30000109.5S626 Q636S626-T628 PolarHBondContact O-N 3.19Å; S626-T628 PolarHBondContact OG-N 3.4Å; S626-T628 PolarHBondContact OG-O 2.84Å; T628-Q636 WeakPolarHBondContact O-CB 3.29Å; T628-Q636 WeakPolarHBondContact O-CG 3.27Å; T628-Q636 PolarHBondContact O-N 3.16Å
629L74.4Confident81.8Confident92 Ų9262.6 Ų62.648%0.48232%0.323SS..EExtended strand (participates in β ladder)trans-90.5157.4178.2-54.1-179.2000111.8K633 V634 P635 Q636L629-K633 HydrophobicContact CD1-CB 4.46Å; L629-V634 CarbonylContact C-O 3.56Å; L629-V634 WeakPolarHBondContact CA-O 3.43Å; L629-P635 HydrophobicContact CD2-CG 4.08Å; L629-Q636 PolarHBondContact O-NE2 3.04Å
630N72.4Confident82.2Confident23 Ų2357.8 Ų57.812%0.12330%0.297CS..  trans-94.9-178.5172.568.114.9000112.1C632 K633 V634 Q636N630-C632 PolarHBondContact O-N 2.83Å; N630-C632 WeakPolarHBondContact OD1-CA 3.22Å; N630-C632 WeakPolarHBondContact OD1-CB 3.36Å; N630-C632 PolarHBondContact OD1-N 3.11Å; N630-K633 PolarHBondContact O-N 2.87Å; N630-K633 PolarHBondContact OD1-N 2.67Å; N630-V634 VanDerWaalsContact CG-O 3.23Å; N630-V634 PolarHBondContact N-O 3.2Å; N630-V634 PolarHBondContact OD1-N 3Å; N630-V634 PolarHBondContact OD1-O 3.14Å; N630-Q636 HydrophobicContact CB-CG 4.03Å
631S69Low82.6Confident68 Ų6855.7 Ų55.748%0.47629%0.288SS..THydrogen-bonded Turntrans-47.1-28.6173.366.30000115.1S656 D658S631-S656 WeakPolarHBondContact OG-CA 3.42Å; S631-S656 WeakPolarHBondContact OG-CB 3.44Å; S631-S656 PolarHBondContact OG-OG 3.34Å; S631-D658 VanDerWaalsContact CB-OD2 3.29Å; S631-D658 WeakPolarHBondContact CB-OD2 3.42Å; S631-D658 PolarHBondContact N-OD2 3.46Å
632C64Low83Confident37 Ų3751.6 Ų51.625%0.2526%0.263CS..THydrogen-bonded Turntrans-95.58.1-178.5-58.40000113.1N630 V634 F654N630-C632 PolarHBondContact O-N 2.83Å; N630-C632 WeakPolarHBondContact OD1-CA 3.22Å; N630-C632 WeakPolarHBondContact OD1-CB 3.36Å; N630-C632 PolarHBondContact OD1-N 3.11Å; C632-V634 HydrophobicContact CB-CG2 4.28Å; C632-V634 PolarHBondContact O-N 3.18Å; C632-F654 HydrophobicContact CB-CD2 3.86Å; C632-F654 HydrophobicContact CB-CE2 4.29Å
633K71.5Confident83.1Confident159 Ų15956.1 Ų56.169%0.69128%0.283SS*.SBendtrans62.521.3-174.1-55.3178-178.8174.60114.2L629 N630L629-K633 HydrophobicContact CD1-CB 4.46Å; N630-K633 PolarHBondContact O-N 2.87Å; N630-K633 PolarHBondContact OD1-N 2.67Å
634V75Confident83.1Confident1 Ų158.6 Ų58.61%0.00629%0.292CS..SBendtrans-97.9144175.6-178.70000109.6I610 L616 L629 N630 C632 Q636 F654I610-V634 HydrophobicContact CG2-CG2 3.43Å; I610-V634 VanDerWaalsContact CG2-CG2 3.43Å; L616-V634 HydrophobicContact CB-CG1 4.24Å; L629-V634 CarbonylContact C-O 3.56Å; L629-V634 WeakPolarHBondContact CA-O 3.43Å; N630-V634 VanDerWaalsContact CG-O 3.23Å; N630-V634 PolarHBondContact N-O 3.2Å; N630-V634 PolarHBondContact OD1-N 3Å; N630-V634 PolarHBondContact OD1-O 3.14Å; C632-V634 HydrophobicContact CB-CG2 4.28Å; C632-V634 PolarHBondContact O-N 3.18Å; V634-Q636 PolarHBondContact O-N 3.38Å; V634-F654 HydrophobicContact CB-CE2 4.39Å; V634-F654 HydrophobicContact CB-CZ 4.39Å; V634-F654 HydrophobicContact CG1-CZ 4.21Å; V634-F654 HydrophobicContact CG2-CE1 4.49Å; V634-F654 HydrophobicContact CG2-CE2 3.95Å; V634-F654 HydrophobicContact CG2-CZ 3.85Å
635P78.6Confident83.2Confident18 Ų1857.2 Ų57.212%0.11728%0.283CS..EExtended strand (participates in β ladder)trans-48.7133172.4-31.738.7000113.5H617 F625 L629 I637H617-P635 VanDerWaalsContact CD2-CD 3.48Å; H617-P635 WeakPolarHBondContact CD2-CD 3.38Å; F625-P635 HydrophobicContact CB-CB 3.93Å; F625-P635 HydrophobicContact CD1-CB 3.81Å; F625-P635 WeakPolarHBondContact CD1-O 3.27Å; F625-P635 HydrophobicContact CG-CB 4.1Å; L629-P635 HydrophobicContact CD2-CG 4.08Å; P635-I637 PolarHBondContact O-N 3.4Å
636Q86.3Confident83.3Confident34 Ų3457.5 Ų57.516%0.15929%0.285CS..EExtended strand (participates in β ladder)trans-70.7128.4175.8-71.918018.800110F625 S626 T628 L629 N630 V634 R638F625-Q636 CarbonylContact C-O 3.45Å; S626-Q636 PolarHBondContact N-O 3.41Å; S626-Q636 PolarHBondContact OG-O 2.85Å; T628-Q636 WeakPolarHBondContact O-CB 3.29Å; T628-Q636 WeakPolarHBondContact O-CG 3.27Å; T628-Q636 PolarHBondContact O-N 3.16Å; L629-Q636 PolarHBondContact O-NE2 3.04Å; N630-Q636 HydrophobicContact CB-CG 4.03Å; V634-Q636 PolarHBondContact O-N 3.38Å; Q636-R638 PolarHBondContact O-N 3.27Å
637I90.8Very high83.4Confident6 Ų658.8 Ų58.83%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-56.5133.2170.9-57.8179.7000109.4I623 F625 P635 Y639 A640 L645 R648 F659 F1187 R1191I623-I637 HydrophobicContact CD1-CD1 3.74Å; I623-I637 HydrophobicContact CD1-CG1 4.01Å; I623-I637 HydrophobicContact CG1-CG2 4.41Å; F625-I637 HydrophobicContact CD1-CG1 4.31Å; F625-I637 HydrophobicContact CE1-CG1 3.98Å; P635-I637 PolarHBondContact O-N 3.4Å; I637-Y639 WeakPolarHBondContact CG2-O 3.35Å; I637-A640 HydrophobicContact CG2-CB 3.73Å; I637-L645 HydrophobicContact CD1-CD2 4.04Å; I637-L645 HydrophobicContact CG2-CD2 4.32Å; I637-R648 HydrophobicContact CD1-CB 4.22Å; I637-R648 HydrophobicContact CD1-CG 3.93Å; I637-F659 HydrophobicContact CD1-CD2 4.39Å; I637-F659 HydrophobicContact CD1-CE2 3.97Å; I637-F1187 HydrophobicContact CB-CB 4.48Å; I637-F1187 HydrophobicContact CB-CD1 4.29Å; I637-F1187 HydrophobicContact CG2-CB 3.97Å; I637-F1187 HydrophobicContact CG2-CG 4.43Å; I637-R1191 PolarHBondContact O-NH2 3.34Å; I637-R1191 VanDerWaalsContact O-NH2 3.12Å
638R90.5Very high83.8Confident97 Ų9749.9 Ų49.937%0.36625%0.248SC..EExtended strand (participates in β ladder)trans-103.7-50.4176.9-169.5-160.4-53.9-16216.6111.4C624 F625 Q636 F1187 S1188C624-R638 WeakPolarHBondContact O-CB 3.29Å; C624-R638 PolarHBondContact O-N 2.95Å; F625-R638 VanDerWaalsContact O-CZ 3.32Å; F625-R638 PolarHBondContact O-NE 3Å; F625-R638 PolarHBondContact O-NH2 2.78Å; Q636-R638 PolarHBondContact O-N 3.27Å; R638-F1187 PolarHBondContact O-N 2.76Å; R638-F1187 VanDerWaalsContact O-N 3.11Å; R638-S1188 VanDerWaalsContact CA-OG 3.27Å; R638-S1188 WeakPolarHBondContact CA-OG 3.49Å; R638-S1188 WeakPolarHBondContact CG-OG 3.45Å; R638-S1188 PolarHBondContact O-N 2.89Å; R638-S1188 VanDerWaalsContact O-N 3.11Å; R638-S1188 PolarHBondContact O-OG 3.3Å; R638-S1188 VanDerWaalsContact O-OG 3.04Å
639Y92.3Very high84.5Confident73 Ų7345.9 Ų45.929%0.28622%0.223SC..EExtended strand (participates in β ladder)trans-133.7145.3174-50-64.5000108.8C624 I637 T1180 V1185 N1186C624-Y639 HydrophobicContact CB-CD2 4Å; C624-Y639 PolarHBondContact N-O 3.1Å; C624-Y639 PolarHBondContact O-N 2.73Å; C624-Y639 VanDerWaalsContact O-O 3.13Å; I637-Y639 WeakPolarHBondContact CG2-O 3.35Å; Y639-T1180 HydrophobicContact CD1-CG2 3.42Å; Y639-T1180 VanDerWaalsContact CD1-CG2 3.42Å; Y639-T1180 HydrophobicContact CD2-CG2 4.17Å; Y639-T1180 HydrophobicContact CE1-CG2 3.75Å; Y639-T1180 HydrophobicContact CE2-CG2 4.41Å; Y639-T1180 HydrophobicContact CG-CG2 3.7Å; Y639-V1185 CarbonylContact C-O 3.53Å; Y639-V1185 VanDerWaalsContact CA-O 3.25Å; Y639-V1185 WeakPolarHBondContact CA-O 3.24Å; Y639-N1186 HydrophobicContact CD1-CB 4.2Å; Y639-N1186 HydrophobicContact CE1-CB 4.27Å
640A94.3Very high84.9Confident0 Ų041.9 Ų41.90%020%0.203CC..EExtended strand (participates in β ladder)trans-160.4155.7171.200000112.7D622 I623 I637 R644 L645 V1185D622-A640 CarbonylContact O-C 3.56Å; D622-A640 VanDerWaalsContact O-CA 3.23Å; D622-A640 WeakPolarHBondContact O-CA 3.34Å; I623-A640 HydrophobicContact CB-CB 4.22Å; I623-A640 HydrophobicContact CD1-CB 4.38Å; I623-A640 HydrophobicContact CG1-CB 4.09Å; I637-A640 HydrophobicContact CG2-CB 3.73Å; A640-R644 HydrophobicContact CB-CB 4.4Å; A640-L645 HydrophobicContact CB-CD1 4.49Å; A640-L645 HydrophobicContact CB-CD2 3.84Å; A640-L645 HydrophobicContact CB-CG 3.8Å; A640-V1185 PolarHBondContact N-O 3.43Å; A640-V1185 WeakPolarHBondContact O-CA 3.4Å; A640-V1185 VanDerWaalsContact O-CB 3.28Å; A640-V1185 WeakPolarHBondContact O-CB 3.37Å; A640-V1185 PolarHBondContact O-N 3.17Å
641S94.6Very high85.1Confident24 Ų2441.6 Ų41.617%0.16820%0.201CC..  trans-65.1156.3165.1740000110.9D622 E643 R644 L645D622-S641 PolarHBondContact O-N 2.84Å; S641-E643 PolarHBondContact O-N 3.17Å; S641-R644 PolarHBondContact O-N 2.89Å; S641-R644 WeakPolarHBondContact OG-CG 3.42Å; S641-R644 PolarHBondContact OG-N 3.06Å; S641-R644 VanDerWaalsContact OG-N 3.13Å; S641-L645 WeakPolarHBondContact O-CG 3.47Å; S641-L645 PolarHBondContact O-N 2.89Å
642V93.9Very high85.2Confident41 Ų4139.7 Ų39.725%0.24819%0.186CC..Hα-helixtrans-57.3-36.4175.7-177.60000110.8L645 L646 F670 T671 V1185V642-L645 PolarHBondContact O-N 3.42Å; V642-L646 HydrophobicContact CG1-CD1 4.04Å; V642-L646 WeakPolarHBondContact O-CG 3.31Å; V642-L646 PolarHBondContact O-N 2.95Å; V642-F670 HydrophobicContact CG1-CD2 4.32Å; V642-F670 HydrophobicContact CG2-CB 4.44Å; V642-F670 HydrophobicContact CG2-CD2 4.2Å; V642-F670 WeakPolarHBondContact CG2-O 3.48Å; V642-T671 HydrophobicContact CG1-CG2 4.45Å; V642-V1185 HydrophobicContact CG2-CG2 3.88Å
643E90Very high85.3Confident135 Ų13539.1 Ų39.163%0.63118%0.178SC*.Hα-helixtrans-65.4-50.5177.5-172.8161.1-143.900112.4S641 L645 L646 E647S641-E643 PolarHBondContact O-N 3.17Å; E643-L645 PolarHBondContact O-N 3.47Å; E643-L646 CarbonylContact O-C 3.56Å; E643-L646 PolarHBondContact O-N 2.9Å; E643-E647 WeakPolarHBondContact O-CG 3.36Å; E643-E647 PolarHBondContact O-N 3.12Å
644R90.3Very high85.1Confident57 Ų5732.4 Ų32.422%0.21515%0.149CC..Hα-helixtrans-63.8-26.1176.1-66-65.2-173.7111.19.9112.6D620 D622 I623 A640 S641 E647 R648D620-R644 IonicContact OD2-CZ 3.83Å; D620-R644 VanDerWaalsContact OD2-CZ 3.31Å; D620-R644 IonicContact OD2-NH1 3.31Å; D620-R644 PolarHBondContact OD2-NH1 3.01Å; D620-R644 IonicContact OD2-NH2 3.12Å; D620-R644 PolarHBondContact OD2-NH2 3.19Å; D622-R644 HydrophobicContact CB-CG 4.22Å; D622-R644 IonicContact OD1-CZ 3.99Å; D622-R644 IonicContact OD1-NE 2.71Å; D622-R644 PolarHBondContact OD1-NE 3.18Å; D622-R644 VanDerWaalsContact OD1-NE 3.14Å; D622-R644 IonicContact OD1-NH1 3.92Å; D622-R644 IonicContact OD1-NH2 3.83Å; D622-R644 PolarHBondContact OD1-NH2 3.02Å; D622-R644 IonicContact OD2-CZ 2.71Å; D622-R644 IonicContact OD2-NE 3.08Å; D622-R644 PolarHBondContact OD2-NE 3.18Å; D622-R644 IonicContact OD2-NH2 3.83Å; D622-R644 PolarHBondContact OD2-NH2 2.87Å; I623-R644 HydrophobicContact CB-CB 4.2Å; I623-R644 HydrophobicContact CB-CG 4.23Å; I623-R644 HydrophobicContact CD1-CB 4.3Å; I623-R644 HydrophobicContact CG2-CG 4.2Å; A640-R644 HydrophobicContact CB-CB 4.4Å; S641-R644 PolarHBondContact O-N 2.89Å; S641-R644 WeakPolarHBondContact OG-CG 3.42Å; S641-R644 PolarHBondContact OG-N 3.06Å; S641-R644 VanDerWaalsContact OG-N 3.13Å; R644-E647 VanDerWaalsContact CD-OE2 3.23Å; R644-E647 WeakPolarHBondContact CD-OE2 3.27Å; R644-R648 WeakPolarHBondContact O-CB 3.49Å; R644-R648 PolarHBondContact O-N 3.22Å
645L93.2Very high85.2Confident0 Ų034.3 Ų34.30%016%0.159CC..Hα-helixtrans-72.1-40.7170.7-68.3174.6000112.3I637 A640 S641 V642 E643 R648 L649 F659 F663 F670 V1185 F1187I637-L645 HydrophobicContact CD1-CD2 4.04Å; I637-L645 HydrophobicContact CG2-CD2 4.32Å; A640-L645 HydrophobicContact CB-CD1 4.49Å; A640-L645 HydrophobicContact CB-CD2 3.84Å; A640-L645 HydrophobicContact CB-CG 3.8Å; S641-L645 WeakPolarHBondContact O-CG 3.47Å; S641-L645 PolarHBondContact O-N 2.89Å; V642-L645 PolarHBondContact O-N 3.42Å; E643-L645 PolarHBondContact O-N 3.47Å; L645-R648 PolarHBondContact O-N 3.04Å; L645-L649 PolarHBondContact O-N 3.2Å; L645-F659 HydrophobicContact CD2-CE2 3.78Å; L645-F659 HydrophobicContact CD2-CZ 4.11Å; L645-F659 WeakPolarHBondContact O-CZ 3.17Å; L645-F663 HydrophobicContact CB-CD2 4.42Å; L645-F663 HydrophobicContact CB-CE2 4.06Å; L645-F670 HydrophobicContact CD1-CD2 4.18Å; L645-F670 HydrophobicContact CD1-CE2 3.69Å; L645-F670 HydrophobicContact CD1-CZ 3.94Å; L645-V1185 HydrophobicContact CD1-CB 3.92Å; L645-V1185 HydrophobicContact CD1-CG1 4.06Å; L645-V1185 HydrophobicContact CD1-CG2 4.15Å; L645-F1187 HydrophobicContact CD1-CD2 3.9Å; L645-F1187 HydrophobicContact CD1-CE2 4.38Å; L645-F1187 HydrophobicContact CD2-CB 4.48Å; L645-F1187 HydrophobicContact CD2-CD2 3.51Å; L645-F1187 HydrophobicContact CD2-CE2 3.83Å; L645-F1187 HydrophobicContact CD2-CG 3.98Å; L645-F1187 HydrophobicContact CG-CD2 4.39Å
646L91.4Very high85.1Confident14 Ų1433.6 Ų33.67%0.07315%0.154CC..Hα-helixtrans-68.8-37.6175.5-74.4167.6000112.2V642 E643 L649 T650 F663 V675 V676 K679V642-L646 HydrophobicContact CG1-CD1 4.04Å; V642-L646 WeakPolarHBondContact O-CG 3.31Å; V642-L646 PolarHBondContact O-N 2.95Å; E643-L646 CarbonylContact O-C 3.56Å; E643-L646 PolarHBondContact O-N 2.9Å; L646-L649 WeakPolarHBondContact O-CB 3.25Å; L646-L649 PolarHBondContact O-N 3.21Å; L646-T650 PolarHBondContact O-N 2.81Å; L646-T650 PolarHBondContact O-OG1 2.96Å; L646-F663 HydrophobicContact CD2-CZ 3.86Å; L646-V675 HydrophobicContact CD1-CG1 3.94Å; L646-V676 HydrophobicContact CD2-CG2 4.2Å; L646-K679 HydrophobicContact CB-CG 4.3Å; L646-K679 HydrophobicContact CD2-CB 4.45Å
647E87.2Confident84.7Confident56 Ų5637 Ų3726%0.26217%0.172SC..Hα-helixtrans-58.7-46.7167-71.8-173.9162.600110.9E643 R644 L649 T650 D651 P692E643-E647 WeakPolarHBondContact O-CG 3.36Å; E643-E647 PolarHBondContact O-N 3.12Å; R644-E647 VanDerWaalsContact CD-OE2 3.23Å; R644-E647 WeakPolarHBondContact CD-OE2 3.27Å; E647-L649 VanDerWaalsContact C-N 3.28Å; E647-L649 PolarHBondContact O-N 3.35Å; E647-T650 CarbonylContact O-C 3.56Å; E647-T650 PolarHBondContact O-N 3.38Å; E647-T650 PolarHBondContact O-OG1 3.45Å; E647-D651 PolarHBondContact O-N 3.31Å; E647-P692 HydrophobicContact CG-CG 4.32Å; E647-P692 WeakPolarHBondContact OE1-CG 3.43Å
648R87Confident84Confident27 Ų2739.8 Ų39.810%0.10219%0.188CC..Hα-helixtrans-63.1-32.9179.8-176.865.470.6-154.41.8113.2I637 R644 L645 T650 D651 F659I637-R648 HydrophobicContact CD1-CB 4.22Å; I637-R648 HydrophobicContact CD1-CG 3.93Å; R644-R648 WeakPolarHBondContact O-CB 3.49Å; R644-R648 PolarHBondContact O-N 3.22Å; L645-R648 PolarHBondContact O-N 3.04Å; R648-T650 PolarHBondContact O-N 2.91Å; R648-D651 IonicContact NH1-OD2 2.58Å; R648-D651 PolarHBondContact NH1-OD2 3.42Å; R648-F659 HydrophobicContact CB-CE1 4Å; R648-F659 HydrophobicContact CB-CE2 4.12Å; R648-F659 HydrophobicContact CB-CZ 3.69Å; R648-F659 HydrophobicContact CG-CD1 3.94Å; R648-F659 HydrophobicContact CG-CD2 3.9Å; R648-F659 HydrophobicContact CG-CE1 3.74Å; R648-F659 HydrophobicContact CG-CE2 3.7Å; R648-F659 HydrophobicContact CG-CG 4.03Å; R648-F659 HydrophobicContact CG-CZ 3.62Å
649L87.6Confident83.9Confident1 Ų135.6 Ų35.61%0.00517%0.172CC..Hα-helixtrans-62.8-34.4172.4-177.565.3000111.5L645 L646 E647 F659 L660 F663 V676 R925 V929L645-L649 PolarHBondContact O-N 3.2Å; L646-L649 WeakPolarHBondContact O-CB 3.25Å; L646-L649 PolarHBondContact O-N 3.21Å; E647-L649 VanDerWaalsContact C-N 3.28Å; E647-L649 PolarHBondContact O-N 3.35Å; L649-F659 HydrophobicContact CB-CE1 4.13Å; L649-L660 HydrophobicContact CD1-CD1 3.49Å; L649-L660 VanDerWaalsContact CD1-CD1 3.49Å; L649-F663 HydrophobicContact CD1-CD1 4.46Å; L649-F663 HydrophobicContact CD2-CD1 4.29Å; L649-F663 HydrophobicContact CD2-CE1 3.85Å; L649-F663 HydrophobicContact CD2-CZ 4.17Å; L649-V676 HydrophobicContact CD2-CG1 3.9Å; L649-R925 PolarHBondContact O-NH1 2.95Å; L649-V929 HydrophobicContact CD1-CG1 4.1Å; L649-V929 HydrophobicContact CD1-CG2 4.11Å; L649-V929 HydrophobicContact CD2-CG1 4.4Å; L649-V929 HydrophobicContact CG-CG1 4.39Å; L649-V929 HydrophobicContact CG-CG2 4.34Å
650T83Confident83.7Confident8 Ų832.4 Ų32.45%0.04916%0.16CC..Hα-helixtrans-111.3-3.5-166.657.40000114.9L646 E647 R648 L652 L680 I683L646-T650 PolarHBondContact O-N 2.81Å; L646-T650 PolarHBondContact O-OG1 2.96Å; E647-T650 CarbonylContact O-C 3.56Å; E647-T650 PolarHBondContact O-N 3.38Å; E647-T650 PolarHBondContact O-OG1 3.45Å; R648-T650 PolarHBondContact O-N 2.91Å; T650-L652 PolarHBondContact O-N 2.87Å; T650-L680 HydrophobicContact CG2-CD2 4.07Å; T650-I683 VanDerWaalsContact CB-CD1 3.41Å; T650-I683 HydrophobicContact CG2-CD1 3.81Å; T650-I683 VanDerWaalsContact OG1-CD1 3.28Å; T650-I683 WeakPolarHBondContact OG1-CD1 3.25Å
651D77Confident83.4Confident17 Ų1734.1 Ų34.19%0.09117%0.169CC..  trans-53.4100.4176-178.1-16.3000111.8E647 R648 R653 F654 R925E647-D651 PolarHBondContact O-N 3.31Å; R648-D651 IonicContact NH1-OD2 2.58Å; R648-D651 PolarHBondContact NH1-OD2 3.42Å; D651-R653 PolarHBondContact O-N 2.97Å; D651-R653 WeakPolarHBondContact OD1-CB 3.14Å; D651-R653 IonicContact OD1-CZ 2.75Å; D651-R653 PolarHBondContact OD1-N 2.76Å; D651-R653 IonicContact OD1-NE 3.13Å; D651-R653 PolarHBondContact OD1-NE 2.97Å; D651-R653 IonicContact OD1-NH2 3.25Å; D651-R653 IonicContact OD2-CZ 3.4Å; D651-R653 IonicContact OD2-NE 3.4Å; D651-R653 IonicContact OD2-NH2 2.79Å; D651-R653 PolarHBondContact OD2-NH2 2.84Å; D651-F654 PolarHBondContact O-N 2.84Å; D651-R925 PolarHBondContact O-NH1 3.13Å; D651-R925 PolarHBondContact O-NH2 3.29Å
652L69.8Low83.2Confident29 Ų2933.3 Ų33.315%0.15216%0.163CC..THydrogen-bonded Turntrans-50.8-30.5-171.4-60.5-171.2000114T650 F654 I691 A921 A922 R925T650-L652 PolarHBondContact O-N 2.87Å; L652-F654 PolarHBondContact O-N 3.49Å; L652-I691 HydrophobicContact CD1-CD1 3.45Å; L652-I691 VanDerWaalsContact CD1-CD1 3.45Å; L652-I691 HydrophobicContact CD2-CD1 4.39Å; L652-I691 HydrophobicContact CG-CD1 3.9Å; L652-A921 HydrophobicContact CD1-CB 3.78Å; L652-A921 HydrophobicContact CD2-CB 4.47Å; L652-A922 HydrophobicContact CD2-CB 4.34Å; L652-R925 HydrophobicContact CD2-CB 3.96Å; L652-R925 HydrophobicContact CD2-CG 4.41Å; L652-R925 PolarHBondContact O-NH2 2.93Å
653R66.3Low83.3Confident25 Ų2531.3 Ų31.39%0.09415%0.151CC..THydrogen-bonded Turntrans-66.2-35.3-173.5-57.3170.5-64.6-1792.4113.2V606 D613 D651V606-R653 WeakPolarHBondContact CG1-O 3.48Å; D613-R653 IonicContact OD2-CZ 3.26Å; D613-R653 IonicContact OD2-NH1 3.77Å; D613-R653 PolarHBondContact OD2-NH1 3.44Å; D613-R653 IonicContact OD2-NH2 2.65Å; D613-R653 PolarHBondContact OD2-NH2 3.47Å; D651-R653 PolarHBondContact O-N 2.97Å; D651-R653 WeakPolarHBondContact OD1-CB 3.14Å; D651-R653 IonicContact OD1-CZ 2.75Å; D651-R653 PolarHBondContact OD1-N 2.76Å; D651-R653 IonicContact OD1-NE 3.13Å; D651-R653 PolarHBondContact OD1-NE 2.97Å; D651-R653 IonicContact OD1-NH2 3.25Å; D651-R653 IonicContact OD2-CZ 3.4Å; D651-R653 IonicContact OD2-NE 3.4Å; D651-R653 IonicContact OD2-NH2 2.79Å; D651-R653 PolarHBondContact OD2-NH2 2.84Å
654F68.8Low83.4Confident18 Ų1824.9 Ų24.98%0.07912%0.121CC..  trans-161161.117767.3-79000113.3I610 L616 C632 V634 D651 L652 R925I610-F654 HydrophobicContact CD1-CB 4.14Å; I610-F654 HydrophobicContact CD1-CD1 3.64Å; I610-F654 HydrophobicContact CD1-CE1 4.23Å; I610-F654 HydrophobicContact CD1-CG 3.96Å; I610-F654 HydrophobicContact CG1-CD1 3.85Å; I610-F654 HydrophobicContact CG1-CE1 4.11Å; L616-F654 HydrophobicContact CD1-CE1 3.79Å; L616-F654 HydrophobicContact CD1-CZ 4.23Å; C632-F654 HydrophobicContact CB-CD2 3.86Å; C632-F654 HydrophobicContact CB-CE2 4.29Å; V634-F654 HydrophobicContact CB-CE2 4.39Å; V634-F654 HydrophobicContact CB-CZ 4.39Å; V634-F654 HydrophobicContact CG1-CZ 4.21Å; V634-F654 HydrophobicContact CG2-CE1 4.49Å; V634-F654 HydrophobicContact CG2-CE2 3.95Å; V634-F654 HydrophobicContact CG2-CZ 3.85Å; D651-F654 PolarHBondContact O-N 2.84Å; L652-F654 PolarHBondContact O-N 3.49Å; F654-R925 VanDerWaalsContact C-NH2 3.25Å; F654-R925 PolarHBondContact O-NH1 3Å; F654-R925 PolarHBondContact O-NH2 2.96Å; F654-R925 VanDerWaalsContact O-NH2 3.1Å
655L75.6Confident83.4Confident40 Ų4022.4 Ų22.421%0.20911%0.112CC..  trans-134.1120.4168.4-171.250.3000109L660 V929L655-L660 HydrophobicContact CD1-CB 4.39Å; L655-L660 HydrophobicContact CD2-CD1 4.44Å; L655-L660 HydrophobicContact CD2-CD2 3.96Å; L655-L660 HydrophobicContact CG-CB 4.5Å; L655-L660 HydrophobicContact CG-CD2 4.41Å; L655-V929 HydrophobicContact CD2-CG2 3.96Å
656S78.4Confident83.5Confident3 Ų322.4 Ų22.42%0.02111%0.112CC..  trans-82.9125.2173172.10000109.6S631 D658 F659 L660S631-S656 WeakPolarHBondContact OG-CA 3.42Å; S631-S656 WeakPolarHBondContact OG-CB 3.44Å; S631-S656 PolarHBondContact OG-OG 3.34Å; S656-D658 PolarHBondContact O-N 3.46Å; S656-D658 PolarHBondContact OG-N 3.25Å; S656-F659 WeakPolarHBondContact O-CB 3.46Å; S656-F659 PolarHBondContact O-N 3.38Å; S656-F659 VanDerWaalsContact O-N 3.11Å; S656-F659 PolarHBondContact OG-N 3.42Å; S656-L660 PolarHBondContact O-N 3.18Å
657I75.9Confident83.6Confident105 Ų10522.1 Ų22.154%0.53811%0.11SC..Hα-helixtrans-63.3-33.5177.2-64172.1000110.3L660 N661I657-L660 PolarHBondContact O-N 2.67Å; I657-N661 VanDerWaalsContact CG2-ND2 3.27Å; I657-N661 WeakPolarHBondContact CG2-ND2 3.49Å; I657-N661 WeakPolarHBondContact O-CB 3.45Å; I657-N661 PolarHBondContact O-N 2.98Å; I657-N661 PolarHBondContact O-ND2 3.23Å
658D77.8Confident83.8Confident65 Ų6522.4 Ų22.435%0.34811%0.109SC..Hα-helixtrans-62.4-43.9173.4-45.7-39.4000111.2S631 S656 T662S631-D658 VanDerWaalsContact CB-OD2 3.29Å; S631-D658 WeakPolarHBondContact CB-OD2 3.42Å; S631-D658 PolarHBondContact N-OD2 3.46Å; S656-D658 PolarHBondContact O-N 3.46Å; S656-D658 PolarHBondContact OG-N 3.25Å; D658-T662 WeakPolarHBondContact O-CB 3.29Å; D658-T662 PolarHBondContact O-N 2.91Å; D658-T662 PolarHBondContact O-OG1 2.92Å
659F87.5Confident84Confident10 Ų1022.5 Ų22.54%0.04411%0.111CC..Hα-helixtrans-66-48.9177.5177.4-93.2000111.2I637 L645 R648 L649 S656 N661 T662 F663 F1187I637-F659 HydrophobicContact CD1-CD2 4.39Å; I637-F659 HydrophobicContact CD1-CE2 3.97Å; L645-F659 HydrophobicContact CD2-CE2 3.78Å; L645-F659 HydrophobicContact CD2-CZ 4.11Å; L645-F659 WeakPolarHBondContact O-CZ 3.17Å; R648-F659 HydrophobicContact CB-CE1 4Å; R648-F659 HydrophobicContact CB-CE2 4.12Å; R648-F659 HydrophobicContact CB-CZ 3.69Å; R648-F659 HydrophobicContact CG-CD1 3.94Å; R648-F659 HydrophobicContact CG-CD2 3.9Å; R648-F659 HydrophobicContact CG-CE1 3.74Å; R648-F659 HydrophobicContact CG-CE2 3.7Å; R648-F659 HydrophobicContact CG-CG 4.03Å; R648-F659 HydrophobicContact CG-CZ 3.62Å; L649-F659 HydrophobicContact CB-CE1 4.13Å; S656-F659 WeakPolarHBondContact O-CB 3.46Å; S656-F659 PolarHBondContact O-N 3.38Å; S656-F659 VanDerWaalsContact O-N 3.11Å; S656-F659 PolarHBondContact OG-N 3.42Å; F659-N661 PolarHBondContact O-N 2.98Å; F659-T662 PolarHBondContact O-N 3.38Å; F659-F663 HydrophobicContact CE1-CB 4.28Å; F659-F663 HydrophobicContact CE1-CD2 4.26Å; F659-F663 HydrophobicContact CE1-CG 4.48Å; F659-F663 HydrophobicContact CZ-CB 4.43Å; F659-F663 AromaticContact CZ-CD2 3.93Å; F659-F663 HydrophobicContact CZ-CD2 3.93Å; F659-F663 WeakPolarHBondContact O-CB 3.49Å; F659-F663 PolarHBondContact O-N 2.93Å; F659-F1187 HydrophobicContact CD2-CD1 4.46Å; F659-F1187 AromaticContact CD2-CE1 3.51Å; F659-F1187 HydrophobicContact CD2-CE1 3.51Å; F659-F1187 HydrophobicContact CD2-CE2 4.47Å; F659-F1187 AromaticContact CD2-CZ 3.51Å; F659-F1187 HydrophobicContact CD2-CZ 3.51Å; F659-F1187 HydrophobicContact CE2-CD1 4.46Å; F659-F1187 AromaticContact CE2-CE1 3.71Å; F659-F1187 HydrophobicContact CE2-CE1 3.71Å; F659-F1187 AromaticContact CE2-CE2 3.91Å; F659-F1187 HydrophobicContact CE2-CE2 3.91Å; F659-F1187 AromaticContact CE2-CZ 3.38Å; F659-F1187 HydrophobicContact CE2-CZ 3.38Å; F659-F1187 HydrophobicContact CG-CZ 4.42Å; F659-F1187 HydrophobicContact CZ-CZ 4.2Å
660L87.9Confident84.3Confident6 Ų623.5 Ų23.53%0.03112%0.115CC..Hα-helixtrans-58.8-47.9-178.5-17862.9000111.9L649 L655 S656 I657 F663 L664 V929 H932L649-L660 HydrophobicContact CD1-CD1 3.49Å; L649-L660 VanDerWaalsContact CD1-CD1 3.49Å; L655-L660 HydrophobicContact CD1-CB 4.39Å; L655-L660 HydrophobicContact CD2-CD1 4.44Å; L655-L660 HydrophobicContact CD2-CD2 3.96Å; L655-L660 HydrophobicContact CG-CB 4.5Å; L655-L660 HydrophobicContact CG-CD2 4.41Å; S656-L660 PolarHBondContact O-N 3.18Å; I657-L660 PolarHBondContact O-N 2.67Å; L660-F663 PolarHBondContact O-N 3.07Å; L660-L664 HydrophobicContact CD1-CD1 3.79Å; L660-L664 HydrophobicContact CD1-CG 4.24Å; L660-L664 HydrophobicContact CG-CD1 4.03Å; L660-L664 WeakPolarHBondContact O-CB 3.33Å; L660-L664 WeakPolarHBondContact O-CG 3.26Å; L660-L664 PolarHBondContact O-N 3.3Å; L660-V929 HydrophobicContact CD1-CG1 4.37Å; L660-V929 HydrophobicContact CD1-CG2 4.47Å; L660-H932 HydrophobicContact CD2-CB 3.73Å; L660-H932 VanDerWaalsContact CD2-CG 3.46Å
661N88.4Confident84.8Confident35 Ų3524 Ų2419%0.18712%0.119CC..Hα-helixtrans-64.7-41.2175.3-72.3-58000112.1I657 F659 H665 H932I657-N661 VanDerWaalsContact CG2-ND2 3.27Å; I657-N661 WeakPolarHBondContact CG2-ND2 3.49Å; I657-N661 WeakPolarHBondContact O-CB 3.45Å; I657-N661 PolarHBondContact O-N 2.98Å; I657-N661 PolarHBondContact O-ND2 3.23Å; F659-N661 PolarHBondContact O-N 2.98Å; N661-H665 PolarHBondContact O-N 2.88Å; N661-H665 VanDerWaalsContact O-N 3.1Å; N661-H665 PolarHBondContact O-ND1 3.18Å; N661-H932 PolarHBondContact OD1-CE1 3.27Å; N661-H932 PolarHBondContact OD1-NE2 3.06Å
662T91Very high85.5Confident7 Ų726.9 Ų26.94%0.04314%0.136CC..Hα-helixtrans-61.7-46.8177.8-570000110.5D658 F659 T666 F1187 M1190 R1191D658-T662 WeakPolarHBondContact O-CB 3.29Å; D658-T662 PolarHBondContact O-N 2.91Å; D658-T662 PolarHBondContact O-OG1 2.92Å; F659-T662 PolarHBondContact O-N 3.38Å; T662-T666 WeakPolarHBondContact O-CB 3.31Å; T662-T666 PolarHBondContact O-N 3.47Å; T662-T666 PolarHBondContact O-OG1 2.73Å; T662-F1187 HydrophobicContact CG2-CD1 4.24Å; T662-F1187 HydrophobicContact CG2-CE1 3.54Å; T662-F1187 HydrophobicContact CG2-CE2 4.14Å; T662-F1187 HydrophobicContact CG2-CZ 3.5Å; T662-F1187 VanDerWaalsContact CG2-CZ 3.5Å; T662-M1190 HydrophobicContact CG2-CB 3.96Å; T662-R1191 HydrophobicContact CG2-CB 4.17Å
663F94.7Very high86.5Confident0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-61.5-52.9178.9-172.9-82000111L645 L646 L649 F659 L660 H665 T666 Y667 F670 T671 V676 F1187L645-F663 HydrophobicContact CB-CD2 4.42Å; L645-F663 HydrophobicContact CB-CE2 4.06Å; L646-F663 HydrophobicContact CD2-CZ 3.86Å; L649-F663 HydrophobicContact CD1-CD1 4.46Å; L649-F663 HydrophobicContact CD2-CD1 4.29Å; L649-F663 HydrophobicContact CD2-CE1 3.85Å; L649-F663 HydrophobicContact CD2-CZ 4.17Å; F659-F663 HydrophobicContact CE1-CB 4.28Å; F659-F663 HydrophobicContact CE1-CD2 4.26Å; F659-F663 HydrophobicContact CE1-CG 4.48Å; F659-F663 HydrophobicContact CZ-CB 4.43Å; F659-F663 AromaticContact CZ-CD2 3.93Å; F659-F663 HydrophobicContact CZ-CD2 3.93Å; F659-F663 WeakPolarHBondContact O-CB 3.49Å; F659-F663 PolarHBondContact O-N 2.93Å; L660-F663 PolarHBondContact O-N 3.07Å; F663-H665 PolarHBondContact O-N 2.84Å; F663-T666 PolarHBondContact O-N 2.77Å; F663-Y667 WeakPolarHBondContact O-CB 3.41Å; F663-Y667 PolarHBondContact O-N 3.02Å; F663-F670 HydrophobicContact CD2-CE2 4.28Å; F663-F670 AromaticContact CD2-CZ 3.98Å; F663-F670 HydrophobicContact CD2-CZ 3.98Å; F663-F670 AromaticContact CE2-CE2 3.81Å; F663-F670 HydrophobicContact CE2-CE2 3.81Å; F663-F670 AromaticContact CE2-CZ 3.98Å; F663-F670 HydrophobicContact CE2-CZ 3.98Å; F663-F670 HydrophobicContact CZ-CE2 4.38Å; F663-T671 HydrophobicContact CZ-CG2 4.38Å; F663-V676 HydrophobicContact CE1-CG1 4.22Å; F663-V676 HydrophobicContact CE1-CG2 3.82Å; F663-V676 HydrophobicContact CZ-CG2 3.98Å; F663-F1187 HydrophobicContact CB-CE2 4.5Å; F663-F1187 HydrophobicContact CB-CZ 4.36Å; F663-F1187 HydrophobicContact CD2-CE2 4.44Å
664L92.6Very high87.7Confident0 Ų029.7 Ų29.70%016%0.159CC..Hα-helixtrans-66-32.4-175.8-69.7173000113.7L660 T666 Y667 W933 Y1031L660-L664 HydrophobicContact CD1-CD1 3.79Å; L660-L664 HydrophobicContact CD1-CG 4.24Å; L660-L664 HydrophobicContact CG-CD1 4.03Å; L660-L664 WeakPolarHBondContact O-CB 3.33Å; L660-L664 WeakPolarHBondContact O-CG 3.26Å; L660-L664 PolarHBondContact O-N 3.3Å; L664-T666 VanDerWaalsContact C-N 3.32Å; L664-T666 PolarHBondContact O-N 3.19Å; L664-Y667 WeakPolarHBondContact O-CD1 3.39Å; L664-W933 HydrophobicContact CD1-CB 4.26Å; L664-W933 HydrophobicContact CD1-CG 4.41Å; L664-W933 HydrophobicContact CD2-CB 4.41Å; L664-W933 HydrophobicContact CD2-CD2 3.75Å; L664-W933 HydrophobicContact CD2-CE3 4.29Å; L664-W933 HydrophobicContact CD2-CG 3.8Å; L664-Y1031 PolarHBondContact O-OH 3.49Å
665H91.4Very high88.9Confident5 Ų531.8 Ų31.82%0.02317%0.173CC..Hα-helixtrans-73-18.6172.9-69.4114.7000114.2N661 F663 H937 Y1031 S1194 I1197 R1201N661-H665 PolarHBondContact O-N 2.88Å; N661-H665 VanDerWaalsContact O-N 3.1Å; N661-H665 PolarHBondContact O-ND1 3.18Å; F663-H665 PolarHBondContact O-N 2.84Å; H665-H937 AromaticContact CD2-CE1 3.57Å; H665-H937 AromaticContact CD2-ND1 3.97Å; H665-H937 AromaticContact CE1-CE1 3.69Å; H665-H937 AromaticContact CG-CE1 3.87Å; H665-H937 AromaticContact ND1-CE1 3.94Å; H665-H937 AromaticContact NE2-CE1 3.46Å; H665-H937 PolarHBondContact NE2-CE1 3.31Å; H665-Y1031 AromaticContact CD2-CD2 4Å; H665-S1194 PolarHBondContact ND1-OG 2.99Å; H665-S1194 VanDerWaalsContact ND1-OG 3.17Å; H665-I1197 HydrophobicContact CB-CD1 4.48Å; H665-I1197 VanDerWaalsContact CD2-CG2 3.45Å; H665-I1197 WeakPolarHBondContact CD2-CG2 3.42Å; H665-R1201 PolarHBondContact NE2-NH1 3.48Å; H665-R1201 VanDerWaalsContact NE2-NH1 3.15Å
666T93.3Very high89.8Confident0 Ų029.9 Ų29.90%016%0.163CC..Hα-helixtrans-131.8-5.4-166.864.40000116T662 F663 L664 R668 I669 F670 M1190 I1193T662-T666 WeakPolarHBondContact O-CB 3.31Å; T662-T666 PolarHBondContact O-N 3.47Å; T662-T666 PolarHBondContact O-OG1 2.73Å; F663-T666 PolarHBondContact O-N 2.77Å; L664-T666 VanDerWaalsContact C-N 3.32Å; L664-T666 PolarHBondContact O-N 3.19Å; T666-R668 PolarHBondContact O-N 2.7Å; T666-I669 WeakPolarHBondContact O-CB 3.32Å; T666-I669 PolarHBondContact O-N 3.37Å; T666-F670 WeakPolarHBondContact O-CE1 3.41Å; T666-M1190 HydrophobicContact CG2-CB 4.04Å; T666-M1190 HydrophobicContact CG2-SD 4.49Å; T666-M1190 WeakPolarHBondContact OG1-CB 3.35Å; T666-I1193 HydrophobicContact CG2-CB 4.37Å; T666-I1193 HydrophobicContact CG2-CG2 4.18Å
667Y93.6Very high90.5Very high7 Ų730.3 Ų30.33%0.02717%0.165CC..G310 helixtrans-52.9-35.3-174.974.7-99.5000112.5F663 L664 I669 F670 T671 A673 V676 W933 D940F663-Y667 WeakPolarHBondContact O-CB 3.41Å; F663-Y667 PolarHBondContact O-N 3.02Å; L664-Y667 WeakPolarHBondContact O-CD1 3.39Å; Y667-I669 PolarHBondContact O-N 2.9Å; Y667-F670 CarbonylContact O-C 3.53Å; Y667-F670 PolarHBondContact O-N 3.37Å; Y667-T671 CarbonylContact C-O 3.58Å; Y667-T671 HydrophobicContact CD2-CG2 4.14Å; Y667-T671 WeakPolarHBondContact CD2-O 3.45Å; Y667-T671 HydrophobicContact CG-CG2 4.42Å; Y667-T671 PolarHBondContact O-N 3.31Å; Y667-A673 HydrophobicContact CE2-CB 3.98Å; Y667-V676 HydrophobicContact CD2-CG2 4.41Å; Y667-W933 AromaticContact CE1-CZ2 3.98Å; Y667-W933 HydrophobicContact CE1-CZ2 3.98Å; Y667-W933 AromaticContact CZ-CZ2 3.94Å; Y667-D940 PolarHBondContact OH-OD2 3.12Å
668R91.3Very high91.2Very high62 Ų6233 Ų3323%0.23417%0.169CC..G310 helixtrans-53.7-21177.7-65164.2165.497.6-20.8114.4T666 D940 Y1031 E1032 L1035T666-R668 PolarHBondContact O-N 2.7Å; R668-D940 IonicContact CZ-OD1 3.17Å; R668-D940 IonicContact CZ-OD2 2.77Å; R668-D940 VanDerWaalsContact NH1-CG 3.35Å; R668-D940 IonicContact NH1-OD1 2.92Å; R668-D940 PolarHBondContact NH1-OD1 2.87Å; R668-D940 IonicContact NH1-OD2 3.95Å; R668-D940 PolarHBondContact NH1-OD2 2.89Å; R668-D940 IonicContact NH2-OD1 2.68Å; R668-D940 PolarHBondContact NH2-OD1 2.75Å; R668-D940 IonicContact NH2-OD2 3.82Å; R668-D940 PolarHBondContact NH2-OD2 3.28Å; R668-Y1031 PolarHBondContact NH1-OH 2.89Å; R668-E1032 IonicContact CZ-OE1 3.2Å; R668-E1032 IonicContact NE-OE1 2.74Å; R668-E1032 PolarHBondContact NE-OE1 3.4Å; R668-E1032 IonicContact NH2-OE1 3.19Å; R668-E1032 PolarHBondContact NH2-OE1 3.24Å; R668-L1035 HydrophobicContact CB-CD1 4.08Å
669I91.8Very high91.8Very high30 Ų3031.7 Ų31.715%0.15416%0.161CC..G310 helixtrans-77.4-22.8175.8-62.8169.7000112.1T666 Y667 L1035 N1178 M1190 I1193T666-I669 WeakPolarHBondContact O-CB 3.32Å; T666-I669 PolarHBondContact O-N 3.37Å; Y667-I669 PolarHBondContact O-N 2.9Å; I669-L1035 HydrophobicContact CD1-CB 4.37Å; I669-L1035 HydrophobicContact CD1-CD2 4.09Å; I669-L1035 HydrophobicContact CG1-CB 4.35Å; I669-L1035 HydrophobicContact CG1-CD1 4.44Å; I669-N1178 HydrophobicContact CG2-CB 4.2Å; I669-N1178 WeakPolarHBondContact CG2-ND2 3.41Å; I669-M1190 HydrophobicContact CB-CE 4.29Å; I669-M1190 HydrophobicContact CB-SD 4.36Å; I669-M1190 HydrophobicContact CD1-CE 4.49Å; I669-M1190 HydrophobicContact CD1-SD 3.75Å; I669-M1190 HydrophobicContact CG2-CE 3.67Å; I669-M1190 HydrophobicContact CG2-SD 4.28Å; I669-I1193 HydrophobicContact CD1-CD1 4.11Å
670F93.6Very high92.1Very high22 Ų2231.2 Ų31.210%0.09616%0.159CC..THydrogen-bonded Turntrans-139-6.3-170.760.6-97000116V642 L645 F663 T666 Y667 F1179 V1185 F1187 M1190V642-F670 HydrophobicContact CG1-CD2 4.32Å; V642-F670 HydrophobicContact CG2-CB 4.44Å; V642-F670 HydrophobicContact CG2-CD2 4.2Å; V642-F670 WeakPolarHBondContact CG2-O 3.48Å; L645-F670 HydrophobicContact CD1-CD2 4.18Å; L645-F670 HydrophobicContact CD1-CE2 3.69Å; L645-F670 HydrophobicContact CD1-CZ 3.94Å; F663-F670 HydrophobicContact CD2-CE2 4.28Å; F663-F670 AromaticContact CD2-CZ 3.98Å; F663-F670 HydrophobicContact CD2-CZ 3.98Å; F663-F670 AromaticContact CE2-CE2 3.81Å; F663-F670 HydrophobicContact CE2-CE2 3.81Å; F663-F670 AromaticContact CE2-CZ 3.98Å; F663-F670 HydrophobicContact CE2-CZ 3.98Å; F663-F670 HydrophobicContact CZ-CE2 4.38Å; T666-F670 WeakPolarHBondContact O-CE1 3.41Å; Y667-F670 CarbonylContact O-C 3.53Å; Y667-F670 PolarHBondContact O-N 3.37Å; F670-F1179 HydrophobicContact CB-CE1 4.22Å; F670-F1179 HydrophobicContact CB-CZ 4.18Å; F670-V1185 HydrophobicContact CB-CG1 3.96Å; F670-V1185 HydrophobicContact CB-CG2 3.68Å; F670-V1185 HydrophobicContact CD1-CG1 3.57Å; F670-V1185 HydrophobicContact CD2-CG1 4.36Å; F670-V1185 HydrophobicContact CD2-CG2 4.16Å; F670-V1185 HydrophobicContact CE1-CG1 4.1Å; F670-V1185 HydrophobicContact CG-CB 4.5Å; F670-V1185 HydrophobicContact CG-CG1 3.72Å; F670-V1185 HydrophobicContact CG-CG2 3.94Å; F670-F1187 HydrophobicContact CZ-CE2 4.45Å; F670-M1190 HydrophobicContact CD1-CE 4.4Å; F670-M1190 HydrophobicContact CE1-CG 4.22Å
671T94.2Very high92.2Very high19 Ų1931.8 Ų31.812%0.11716%0.164CC..  trans-160.2166.2176.9-171.70000110.9V642 F663 Y667 V675 V676V642-T671 HydrophobicContact CG1-CG2 4.45Å; F663-T671 HydrophobicContact CZ-CG2 4.38Å; Y667-T671 CarbonylContact C-O 3.58Å; Y667-T671 HydrophobicContact CD2-CG2 4.14Å; Y667-T671 WeakPolarHBondContact CD2-O 3.45Å; Y667-T671 HydrophobicContact CG-CG2 4.42Å; Y667-T671 PolarHBondContact O-N 3.31Å; T671-V675 WeakPolarHBondContact OG1-CB 3.38Å; T671-V675 WeakPolarHBondContact OG1-CG1 3.46Å; T671-V676 HydrophobicContact CG2-CG2 4.07Å
672T92.4Very high92.3Very high76 Ų7631.4 Ų31.447%0.46616%0.162SC..  trans-100.9160.6176.769.10000112.2T674 V675 V676T672-T674 PolarHBondContact O-N 3.24Å; T672-V675 PolarHBondContact O-N 3.2Å; T672-V675 VanDerWaalsContact O-N 3.17Å; T672-V675 WeakPolarHBondContact OG1-CG2 3.23Å; T672-V675 PolarHBondContact OG1-N 3.46Å; T672-V676 PolarHBondContact O-N 3.43Å
673A91.3Very high92Very high11 Ų1131.1 Ų31.19%0.09116%0.16CC..Hα-helixtrans-60.7-36.6176.700000111.6Y667 V675 V676 M677 W933 L947Y667-A673 HydrophobicContact CE2-CB 3.98Å; A673-V675 VanDerWaalsContact C-N 3.32Å; A673-V675 PolarHBondContact O-N 3.42Å; A673-V676 PolarHBondContact O-N 2.85Å; A673-M677 WeakPolarHBondContact O-CB 3.21Å; A673-M677 PolarHBondContact O-N 3.01Å; A673-W933 HydrophobicContact CB-CH2 4.2Å; A673-W933 HydrophobicContact CB-CZ2 4.18Å; A673-L947 HydrophobicContact CB-CD1 3.83Å; A673-L947 HydrophobicContact CB-CD2 3.72Å; A673-L947 HydrophobicContact CB-CG 4.32Å
674T91.1Very high91.7Very high103 Ų10332.5 Ų32.563%0.63217%0.166SC*.Hα-helixtrans-58.3-40.1175.4-34.30000112.3T672 Y678T672-T674 PolarHBondContact O-N 3.24Å; T674-Y678 VanDerWaalsContact O-CB 3.25Å; T674-Y678 WeakPolarHBondContact O-CB 3.3Å; T674-Y678 PolarHBondContact O-N 2.92Å
675V93Very high91.4Very high61 Ų6137.4 Ų37.437%0.3719%0.187SC..Hα-helixtrans-71.1-39.7177.31720000111.5L646 T671 T672 A673 Y678 K679L646-V675 HydrophobicContact CD1-CG1 3.94Å; T671-V675 WeakPolarHBondContact OG1-CB 3.38Å; T671-V675 WeakPolarHBondContact OG1-CG1 3.46Å; T672-V675 PolarHBondContact O-N 3.2Å; T672-V675 VanDerWaalsContact O-N 3.17Å; T672-V675 WeakPolarHBondContact OG1-CG2 3.23Å; T672-V675 PolarHBondContact OG1-N 3.46Å; A673-V675 VanDerWaalsContact C-N 3.32Å; A673-V675 PolarHBondContact O-N 3.42Å; V675-Y678 PolarHBondContact O-N 3.34Å; V675-K679 PolarHBondContact O-N 3.42Å
676V94Very high91Very high1 Ų142.9 Ų42.91%0.00621%0.211CC..Hα-helixtrans-62.9-46.8174.5-177.10000110.3L646 L649 F663 Y667 T671 T672 A673 K679 L680 W933L646-V676 HydrophobicContact CD2-CG2 4.2Å; L649-V676 HydrophobicContact CD2-CG1 3.9Å; F663-V676 HydrophobicContact CE1-CG1 4.22Å; F663-V676 HydrophobicContact CE1-CG2 3.82Å; F663-V676 HydrophobicContact CZ-CG2 3.98Å; Y667-V676 HydrophobicContact CD2-CG2 4.41Å; T671-V676 HydrophobicContact CG2-CG2 4.07Å; T672-V676 PolarHBondContact O-N 3.43Å; A673-V676 PolarHBondContact O-N 2.85Å; V676-K679 PolarHBondContact O-N 3.41Å; V676-L680 HydrophobicContact CG1-CD1 4.23Å; V676-L680 WeakPolarHBondContact O-CG 3.37Å; V676-L680 PolarHBondContact O-N 2.78Å; V676-W933 HydrophobicContact CB-CH2 3.89Å; V676-W933 HydrophobicContact CB-CZ3 4.06Å; V676-W933 HydrophobicContact CG1-CE3 4.43Å; V676-W933 HydrophobicContact CG1-CH2 3.84Å; V676-W933 HydrophobicContact CG1-CZ3 3.55Å
677M93.2Very high90.1Very high12 Ų1243.1 Ų43.16%0.05921%0.213CC..Hα-helixtrans-62.9-41.9176.3-80.5-56.2-61.400113A673 K679 L680 A681 L930 W933 L947 V951 L954A673-M677 WeakPolarHBondContact O-CB 3.21Å; A673-M677 PolarHBondContact O-N 3.01Å; M677-K679 PolarHBondContact O-N 2.97Å; M677-L680 PolarHBondContact O-N 3.18Å; M677-L680 HydrophobicContact SD-CD1 4.29Å; M677-A681 WeakPolarHBondContact O-CB 3.24Å; M677-A681 PolarHBondContact O-N 3.11Å; M677-L930 HydrophobicContact CE-CD2 4.37Å; M677-L930 HydrophobicContact SD-CD2 3.78Å; M677-W933 HydrophobicContact CG-CH2 4.28Å; M677-W933 HydrophobicContact CG-CZ3 4.14Å; M677-W933 HydrophobicContact SD-CZ3 3.94Å; M677-L947 HydrophobicContact CG-CD1 3.48Å; M677-L947 VanDerWaalsContact CG-CD1 3.48Å; M677-L947 HydrophobicContact SD-CD1 4.46Å; M677-V951 HydrophobicContact CE-CB 4.31Å; M677-V951 HydrophobicContact CE-CG2 3.6Å; M677-V951 HydrophobicContact SD-CG2 3.58Å; M677-V951 VanDerWaalsContact SD-CG2 3.58Å; M677-L954 HydrophobicContact CE-CB 4.43Å; M677-L954 HydrophobicContact CE-CD2 3.77Å
678Y91.4Very high88.8Confident160 Ų16046.9 Ų46.963%0.62723%0.229SC*.Hα-helixtrans-57.8-47.2174.3176.7-97.2000111.2T674 V675 L680 A681 D682T674-Y678 VanDerWaalsContact O-CB 3.25Å; T674-Y678 WeakPolarHBondContact O-CB 3.3Å; T674-Y678 PolarHBondContact O-N 2.92Å; V675-Y678 PolarHBondContact O-N 3.34Å; Y678-L680 PolarHBondContact O-N 2.87Å; Y678-A681 PolarHBondContact O-N 3.24Å; Y678-D682 WeakPolarHBondContact O-CB 3.36Å; Y678-D682 PolarHBondContact O-N 3.28Å
679K91Very high87.5Confident38 Ų3848.1 Ų48.117%0.16525%0.247CC..Hα-helixtrans-68-33.9179.8-170.462.3176171.30113L646 V675 V676 M677 I683 S690L646-K679 HydrophobicContact CB-CG 4.3Å; L646-K679 HydrophobicContact CD2-CB 4.45Å; V675-K679 PolarHBondContact O-N 3.42Å; V676-K679 PolarHBondContact O-N 3.41Å; M677-K679 PolarHBondContact O-N 2.97Å; K679-I683 HydrophobicContact CD-CD1 4.33Å; K679-I683 HydrophobicContact CG-CD1 4.36Å; K679-I683 WeakPolarHBondContact O-CB 3.23Å; K679-I683 WeakPolarHBondContact O-CG1 3.39Å; K679-I683 PolarHBondContact O-N 2.8Å; K679-I683 VanDerWaalsContact O-N 3.11Å; K679-S690 PolarHBondContact NZ-O 3.45Å
680L92.3Very high86Confident1 Ų147.2 Ų47.21%0.00524%0.243CC..Hα-helixtrans-66.9-45.8172.6-70.6172.3000111.7T650 V676 M677 Y678 I683 Y684 V926 V929 L930 W933T650-L680 HydrophobicContact CG2-CD2 4.07Å; V676-L680 HydrophobicContact CG1-CD1 4.23Å; V676-L680 WeakPolarHBondContact O-CG 3.37Å; V676-L680 PolarHBondContact O-N 2.78Å; M677-L680 PolarHBondContact O-N 3.18Å; M677-L680 HydrophobicContact SD-CD1 4.29Å; Y678-L680 PolarHBondContact O-N 2.87Å; L680-I683 PolarHBondContact O-N 3.42Å; L680-Y684 PolarHBondContact O-N 3.19Å; L680-V926 HydrophobicContact CB-CG1 4.32Å; L680-V926 HydrophobicContact CB-CG2 4.42Å; L680-V926 HydrophobicContact CD2-CG2 4.19Å; L680-V926 WeakPolarHBondContact O-CG2 3.47Å; L680-V929 HydrophobicContact CD1-CG1 3.96Å; L680-V929 HydrophobicContact CD2-CB 4.14Å; L680-V929 HydrophobicContact CD2-CG1 4.07Å; L680-V929 HydrophobicContact CD2-CG2 4.45Å; L680-L930 HydrophobicContact CD1-CD2 4.04Å; L680-L930 HydrophobicContact CD1-CG 4.48Å; L680-W933 HydrophobicContact CD1-CE3 4.43Å; L680-W933 HydrophobicContact CD1-CZ3 4.24Å
681A91.1Very high84.6Confident18 Ų1846.8 Ų46.815%0.14924%0.242CC..Hα-helixtrans-66.4-39.6177.800000112.4M677 Y678 Y684 K685 L954M677-A681 WeakPolarHBondContact O-CB 3.24Å; M677-A681 PolarHBondContact O-N 3.11Å; Y678-A681 PolarHBondContact O-N 3.24Å; A681-Y684 PolarHBondContact O-N 3.33Å; A681-K685 WeakPolarHBondContact O-CB 3.38Å; A681-K685 WeakPolarHBondContact O-CD 3.3Å; A681-K685 WeakPolarHBondContact O-CG 3.26Å; A681-K685 PolarHBondContact O-N 2.97Å; A681-L954 HydrophobicContact CB-CD1 3.97Å; A681-L954 HydrophobicContact CB-CD2 4.14Å
682D89.4Confident83Confident26 Ų2648 Ų4814%0.13925%0.25CS..Hα-helixtrans-63.8-41.1176.1-179.463.5000111.7Y678 K685 K686 S690Y678-D682 WeakPolarHBondContact O-CB 3.36Å; Y678-D682 PolarHBondContact O-N 3.28Å; D682-K685 PolarHBondContact O-N 3.2Å; D682-K686 WeakPolarHBondContact O-CA 3.39Å; D682-K686 PolarHBondContact O-N 3.26Å; D682-S690 PolarHBondContact OD1-OG 2.97Å; D682-S690 WeakPolarHBondContact OD2-CB 3.32Å; D682-S690 PolarHBondContact OD2-OG 2.9Å
683I86.3Confident81.3Confident1 Ų150.2 Ų50.21%0.00526%0.258CS..Hα-helixtrans-70.2-31.8175.3-77.7176000112.8T650 K679 L680 P687 A922 V926T650-I683 VanDerWaalsContact CB-CD1 3.41Å; T650-I683 HydrophobicContact CG2-CD1 3.81Å; T650-I683 VanDerWaalsContact OG1-CD1 3.28Å; T650-I683 WeakPolarHBondContact OG1-CD1 3.25Å; K679-I683 HydrophobicContact CD-CD1 4.33Å; K679-I683 HydrophobicContact CG-CD1 4.36Å; K679-I683 WeakPolarHBondContact O-CB 3.23Å; K679-I683 WeakPolarHBondContact O-CG1 3.39Å; K679-I683 PolarHBondContact O-N 2.8Å; K679-I683 VanDerWaalsContact O-N 3.11Å; L680-I683 PolarHBondContact O-N 3.42Å; I683-P687 WeakPolarHBondContact O-CA 3.34Å; I683-P687 WeakPolarHBondContact O-CB 3.31Å; I683-P687 WeakPolarHBondContact O-CD 3.48Å; I683-A922 HydrophobicContact CG2-CB 3.91Å; I683-V926 HydrophobicContact CG2-CG2 4.38Å
684Y86.8Confident79.7Confident30 Ų3059 Ų5912%0.11829%0.289CS..Hα-helixtrans-66.6-49.2169.6173.4-114.3000111.6L680 A681 T923 L954 V958 D961L680-Y684 PolarHBondContact O-N 3.19Å; A681-Y684 PolarHBondContact O-N 3.33Å; Y684-T923 HydrophobicContact CD2-CG2 4.31Å; Y684-T923 WeakPolarHBondContact CD2-OG1 3.33Å; Y684-T923 HydrophobicContact CE2-CG2 4.11Å; Y684-T923 WeakPolarHBondContact CE2-OG1 3.39Å; Y684-L954 HydrophobicContact CD1-CD1 4.02Å; Y684-V958 HydrophobicContact CD1-CG2 4.13Å; Y684-V958 HydrophobicContact CD2-CG2 4.23Å; Y684-V958 HydrophobicContact CE1-CG2 3.72Å; Y684-V958 HydrophobicContact CE2-CG2 3.84Å; Y684-V958 HydrophobicContact CG-CG2 4.38Å; Y684-D961 PolarHBondContact OH-OD2 3.09Å
685K86.4Confident78Confident103 Ų10355.2 Ų55.245%0.44827%0.267SS..Hα-helixtrans-75.5-29.5-174.1-66.8162.9-171.3-86.60114.2A681 D682 E957A681-K685 WeakPolarHBondContact O-CB 3.38Å; A681-K685 WeakPolarHBondContact O-CD 3.3Å; A681-K685 WeakPolarHBondContact O-CG 3.26Å; A681-K685 PolarHBondContact O-N 2.97Å; D682-K685 PolarHBondContact O-N 3.2Å; K685-E957 WeakPolarHBondContact CE-OE2 3.48Å; K685-E957 IonicContact NZ-OE1 3.26Å; K685-E957 PolarHBondContact NZ-OE1 3.25Å; K685-E957 IonicContact NZ-OE2 3.88Å; K685-E957 PolarHBondContact NZ-OE2 3.11Å
686K83.6Confident76.4Confident119 Ų11953.3 Ų53.352%0.51725%0.254SS..  trans-145.851.9-170.8-54.9179.7-176.5167.30113.7D682 F688 S689 S690D682-K686 WeakPolarHBondContact O-CA 3.39Å; D682-K686 PolarHBondContact O-N 3.26Å; K686-F688 PolarHBondContact O-N 3.06Å; K686-S689 VanDerWaalsContact CB-OG 3.31Å; K686-S689 WeakPolarHBondContact CB-OG 3.47Å; K686-S689 PolarHBondContact O-N 3.18Å; K686-S689 PolarHBondContact O-OG 3.37Å; K686-S689 VanDerWaalsContact O-OG 3.11Å; K686-S690 WeakPolarHBondContact O-CB 3Å; K686-S690 PolarHBondContact O-N 3.27Å; K686-S690 PolarHBondContact O-OG 3.25Å; K686-S690 VanDerWaalsContact O-OG 3.07Å
687P75.5Confident74.7Confident6 Ų658.3 Ų58.34%0.03928%0.278CS..Hα-helixtrans-55.6-31.3-171.323.4-34.6000113.8I683 S689 S690 I691 I918 R919 A922I683-P687 WeakPolarHBondContact O-CA 3.34Å; I683-P687 WeakPolarHBondContact O-CB 3.31Å; I683-P687 WeakPolarHBondContact O-CD 3.48Å; P687-S689 PolarHBondContact O-N 3.47Å; P687-S690 PolarHBondContact O-N 2.98Å; P687-I691 HydrophobicContact CB-CD1 3.93Å; P687-I691 WeakPolarHBondContact O-CB 3.09Å; P687-I691 VanDerWaalsContact O-CD1 3.31Å; P687-I691 WeakPolarHBondContact O-CD1 3.25Å; P687-I691 VanDerWaalsContact O-CG1 3.24Å; P687-I691 WeakPolarHBondContact O-CG1 3.41Å; P687-I691 PolarHBondContact O-N 3.07Å; P687-I691 VanDerWaalsContact O-N 3.12Å; P687-I918 HydrophobicContact CB-CG2 3.69Å; P687-I918 HydrophobicContact CG-CG2 4.02Å; P687-R919 HydrophobicContact CG-CG 4.06Å; P687-A922 HydrophobicContact CB-CB 3.79Å; P687-A922 HydrophobicContact CG-CB 4.42Å
688F65.6Low72.8Confident86 Ų8660.6 Ų60.638%0.37729%0.29SS..Hα-helixtrans-66.3-31.9178-80.7-87.2000116K686 L696 E915 I918K686-F688 PolarHBondContact O-N 3.06Å; F688-L696 HydrophobicContact CD1-CD1 4.44Å; F688-E915 HydrophobicContact CE2-CB 4.02Å; F688-E915 HydrophobicContact CE2-CG 3.83Å; F688-E915 HydrophobicContact CZ-CB 4.16Å; F688-E915 HydrophobicContact CZ-CG 4.47Å; F688-I918 HydrophobicContact CD2-CG2 4.05Å; F688-I918 HydrophobicContact CE1-CD1 3.58Å; F688-I918 HydrophobicContact CE2-CB 3.74Å; F688-I918 HydrophobicContact CE2-CD1 4.27Å; F688-I918 HydrophobicContact CE2-CG2 3.58Å; F688-I918 HydrophobicContact CZ-CB 3.7Å; F688-I918 HydrophobicContact CZ-CD1 3.42Å; F688-I918 VanDerWaalsContact CZ-CD1 3.42Å; F688-I918 HydrophobicContact CZ-CG1 4.11Å; F688-I918 HydrophobicContact CZ-CG2 3.87Å
689S62.7Low71Confident88 Ų8854.9 Ų54.962%0.61527%0.268SS*.Hα-helixtrans-88.3-22.6173.953.50000112.7K686 P687K686-S689 VanDerWaalsContact CB-OG 3.31Å; K686-S689 WeakPolarHBondContact CB-OG 3.47Å; K686-S689 PolarHBondContact O-N 3.18Å; K686-S689 PolarHBondContact O-OG 3.37Å; K686-S689 VanDerWaalsContact O-OG 3.11Å; P687-S689 PolarHBondContact O-N 3.47Å
690S60.5Low69.2Low10 Ų1056 Ų567%0.0727%0.273CS..Hα-helixtrans-103.9-10.1-161.8-55.20000113.8K679 D682 K686 P687K679-S690 PolarHBondContact NZ-O 3.45Å; D682-S690 PolarHBondContact OD1-OG 2.97Å; D682-S690 WeakPolarHBondContact OD2-CB 3.32Å; D682-S690 PolarHBondContact OD2-OG 2.9Å; K686-S690 WeakPolarHBondContact O-CB 3Å; K686-S690 PolarHBondContact O-N 3.27Å; K686-S690 PolarHBondContact O-OG 3.25Å; K686-S690 VanDerWaalsContact O-OG 3.07Å; P687-S690 PolarHBondContact O-N 2.98Å
691I64.1Low67.1Low14 Ų1459.5 Ų59.57%0.07230%0.302CS..SBendtrans-101.3133.2168.7-58.6161.7000108.6L652 P687 I693 L696 I918L652-I691 HydrophobicContact CD1-CD1 3.45Å; L652-I691 VanDerWaalsContact CD1-CD1 3.45Å; L652-I691 HydrophobicContact CD2-CD1 4.39Å; L652-I691 HydrophobicContact CG-CD1 3.9Å; P687-I691 HydrophobicContact CB-CD1 3.93Å; P687-I691 WeakPolarHBondContact O-CB 3.09Å; P687-I691 VanDerWaalsContact O-CD1 3.31Å; P687-I691 WeakPolarHBondContact O-CD1 3.25Å; P687-I691 VanDerWaalsContact O-CG1 3.24Å; P687-I691 WeakPolarHBondContact O-CG1 3.41Å; P687-I691 PolarHBondContact O-N 3.07Å; P687-I691 VanDerWaalsContact O-N 3.12Å; I691-I693 PolarHBondContact O-N 2.99Å; I691-L696 HydrophobicContact CB-CD1 4.48Å; I691-L696 HydrophobicContact CB-CD2 3.93Å; I691-L696 HydrophobicContact CB-CG 4.21Å; I691-L696 HydrophobicContact CD1-CD2 4.1Å; I691-L696 HydrophobicContact CG2-CD2 3.58Å; I691-L696 HydrophobicContact CG2-CG 3.9Å; I691-I918 HydrophobicContact CD1-CG2 4.09Å
692P62.3Low64.9Low44 Ų4461.3 Ų61.329%0.28631%0.312SS..  trans-57.4137.3-179.2-28.837.1000113.6E647 R694 S695 L696E647-P692 HydrophobicContact CG-CG 4.32Å; E647-P692 WeakPolarHBondContact OE1-CG 3.43Å; P692-R694 VanDerWaalsContact C-N 3.28Å; P692-R694 PolarHBondContact O-N 3.09Å; P692-S695 WeakPolarHBondContact O-CA 3.36Å; P692-S695 VanDerWaalsContact O-CB 3.31Å; P692-S695 WeakPolarHBondContact O-CB 3.33Å; P692-S695 PolarHBondContact O-N 3.37Å; P692-L696 PolarHBondContact O-N 3.1Å; P692-L696 VanDerWaalsContact O-N 3.14Å
693I56.7Low62.5Low123 Ų12365 Ų6563%0.63133%0.332SS*.Hα-helixtrans-54.8-42.2-176.2-62.2173.9000111.6I691 S695 L696 E697I691-I693 PolarHBondContact O-N 2.99Å; I693-S695 VanDerWaalsContact C-N 3.27Å; I693-S695 PolarHBondContact O-N 2.92Å; I693-L696 CarbonylContact O-C 3.57Å; I693-L696 WeakPolarHBondContact O-CB 3.14Å; I693-L696 PolarHBondContact O-N 3.24Å; I693-L696 VanDerWaalsContact O-N 3.09Å; I693-E697 HydrophobicContact CG2-CG 4.19Å; I693-E697 WeakPolarHBondContact O-CG 3.22Å; I693-E697 PolarHBondContact O-N 3.03Å
694R55.8Low60.2Low194 Ų19474.2 Ų74.273%0.73238%0.375SS*.Hα-helixtrans-60.5-32174.5-86.7-175.2177.6159.71.8114.4P692 E697 L698P692-R694 VanDerWaalsContact C-N 3.28Å; P692-R694 PolarHBondContact O-N 3.09Å; R694-E697 WeakPolarHBondContact CA-OE2 3.41Å; R694-L698 VanDerWaalsContact O-CB 3.32Å; R694-L698 WeakPolarHBondContact O-CB 3.48Å; R694-L698 VanDerWaalsContact O-CG 3.3Å; R694-L698 WeakPolarHBondContact O-CG 3.47Å; R694-L698 PolarHBondContact O-N 2.95Å
695S55.9Low57.6Low25 Ų2580.6 Ų80.618%0.17541%0.411CS..Hα-helixtrans-73.2-34.3176-61.60000111P692 I693 F699P692-S695 WeakPolarHBondContact O-CA 3.36Å; P692-S695 VanDerWaalsContact O-CB 3.31Å; P692-S695 WeakPolarHBondContact O-CB 3.33Å; P692-S695 PolarHBondContact O-N 3.37Å; I693-S695 VanDerWaalsContact C-N 3.27Å; I693-S695 PolarHBondContact O-N 2.92Å; S695-F699 VanDerWaalsContact O-CB 3.23Å; S695-F699 WeakPolarHBondContact O-CB 3.23Å; S695-F699 PolarHBondContact O-N 3.28Å; S695-F699 VanDerWaalsContact O-N 3.1Å
696L59.1Low54.9Low20 Ų2083.5 Ų83.511%0.10543%0.431CS..Hα-helixtrans-72.5-40.1172.2-59.6-178.8000111.9F688 I691 P692 I693 F699 F700 I918F688-L696 HydrophobicContact CD1-CD1 4.44Å; I691-L696 HydrophobicContact CB-CD1 4.48Å; I691-L696 HydrophobicContact CB-CD2 3.93Å; I691-L696 HydrophobicContact CB-CG 4.21Å; I691-L696 HydrophobicContact CD1-CD2 4.1Å; I691-L696 HydrophobicContact CG2-CD2 3.58Å; I691-L696 HydrophobicContact CG2-CG 3.9Å; P692-L696 PolarHBondContact O-N 3.1Å; P692-L696 VanDerWaalsContact O-N 3.14Å; I693-L696 CarbonylContact O-C 3.57Å; I693-L696 WeakPolarHBondContact O-CB 3.14Å; I693-L696 PolarHBondContact O-N 3.24Å; I693-L696 VanDerWaalsContact O-N 3.09Å; L696-F699 WeakPolarHBondContact O-CB 3.35Å; L696-F699 PolarHBondContact O-N 3.46Å; L696-F700 VanDerWaalsContact O-CD2 3.27Å; L696-F700 WeakPolarHBondContact O-CD2 3.41Å; L696-F700 PolarHBondContact O-N 3.32Å; L696-I918 HydrophobicContact CD2-CD1 3.79Å; L696-I918 HydrophobicContact CD2-CG1 4.4Å
697E58.1Low52.3Low107 Ų10789.9 Ų89.950%0.545%0.452SS..Hα-helixtrans-57.6-55.6170.9-72.717116400109.8I693 R694 F699 F700 A701I693-E697 HydrophobicContact CG2-CG 4.19Å; I693-E697 WeakPolarHBondContact O-CG 3.22Å; I693-E697 PolarHBondContact O-N 3.03Å; R694-E697 WeakPolarHBondContact CA-OE2 3.41Å; E697-F699 PolarHBondContact O-N 3.22Å; E697-F699 VanDerWaalsContact O-N 3.09Å; E697-F700 CarbonylContact O-C 3.55Å; E697-F700 PolarHBondContact O-N 3.11Å; E697-A701 WeakPolarHBondContact O-CA 3.48Å; E697-A701 WeakPolarHBondContact O-CB 3.48Å; E697-A701 PolarHBondContact O-N 3.29Å
698L55.1Low50.1Low59 Ų5993 Ų9331%0.30949%0.485SS..THydrogen-bonded Turntrans-65.3-12.3177.9-71.1170.1000114.3M609 D613 R694M609-L698 VanDerWaalsContact CE-O 3.23Å; M609-L698 WeakPolarHBondContact CE-O 3.28Å; D613-L698 HydrophobicContact CB-CD1 3.91Å; R694-L698 VanDerWaalsContact O-CB 3.32Å; R694-L698 WeakPolarHBondContact O-CB 3.48Å; R694-L698 VanDerWaalsContact O-CG 3.3Å; R694-L698 WeakPolarHBondContact O-CG 3.47Å; R694-L698 PolarHBondContact O-N 2.95Å
699F52.3Low48.3Very low41 Ų4194.9 Ų94.918%0.1850%0.504CS..THydrogen-bonded Turntrans-87.1-10171.2-169.3-93000112.8M609 S695 L696 E697 I917 I918M609-F699 HydrophobicContact CE-CB 4.48Å; M609-F699 HydrophobicContact CE-CD2 4.19Å; S695-F699 VanDerWaalsContact O-CB 3.23Å; S695-F699 WeakPolarHBondContact O-CB 3.23Å; S695-F699 PolarHBondContact O-N 3.28Å; S695-F699 VanDerWaalsContact O-N 3.1Å; L696-F699 WeakPolarHBondContact O-CB 3.35Å; L696-F699 PolarHBondContact O-N 3.46Å; E697-F699 PolarHBondContact O-N 3.22Å; E697-F699 VanDerWaalsContact O-N 3.09Å; F699-I917 HydrophobicContact CE1-CG2 3.87Å; F699-I917 HydrophobicContact CZ-CG2 4.07Å; F699-I918 HydrophobicContact CE1-CG1 4.27Å
700F54.7Low46.5Very low60 Ų6097.6 Ų97.626%0.26351%0.512SS..THydrogen-bonded Turntrans-132.2-4.9179.6-64.3-49.9000115.2L696 E697 T702 K914 I918L696-F700 VanDerWaalsContact O-CD2 3.27Å; L696-F700 WeakPolarHBondContact O-CD2 3.41Å; L696-F700 PolarHBondContact O-N 3.32Å; E697-F700 CarbonylContact O-C 3.55Å; E697-F700 PolarHBondContact O-N 3.11Å; F700-T702 PolarHBondContact O-N 2.97Å; F700-K914 HydrophobicContact CD1-CD 4.3Å; F700-K914 HydrophobicContact CE1-CB 4.3Å; F700-K914 HydrophobicContact CE1-CD 3.95Å; F700-K914 HydrophobicContact CE1-CG 3.98Å; F700-K914 HydrophobicContact CE2-CB 4.49Å; F700-K914 HydrophobicContact CE2-CD 4.26Å; F700-K914 HydrophobicContact CZ-CB 3.8Å; F700-K914 HydrophobicContact CZ-CD 3.92Å; F700-K914 HydrophobicContact CZ-CG 3.95Å; F700-I918 HydrophobicContact CE2-CD1 3.44Å; F700-I918 VanDerWaalsContact CE2-CD1 3.44Å; F700-I918 HydrophobicContact CZ-CD1 3.43Å; F700-I918 VanDerWaalsContact CZ-CD1 3.43Å; F700-I918 HydrophobicContact CZ-CG1 4.11Å
701A47.8Very low44.9Very low75 Ų75103.3 Ų103.362%0.6254%0.541SS*.THydrogen-bonded Turntrans-86.859.5-165.800000114.9E697E697-A701 WeakPolarHBondContact O-CA 3.48Å; E697-A701 WeakPolarHBondContact O-CB 3.48Å; E697-A701 PolarHBondContact O-N 3.29Å
702T43.4Very low43.1Very low56 Ų56107.9 Ų107.934%0.34457%0.57SS.*THydrogen-bonded Turntrans-110.5-14.3167.7-8.50000113.1E600 V604 F700E600-T702 WeakPolarHBondContact O-CB 3.49Å; E600-T702 PolarHBondContact O-OG1 3.48Å; V604-T702 HydrophobicContact CG2-CG2 4.4Å; F700-T702 PolarHBondContact O-N 2.97Å
703N39.3Very low41.4Very low105 Ų105112.5 Ų112.556%0.56159%0.592SS**SBendtrans-109.340.6-151.3-141.4-28.5000115.5E600E600-N703 PolarHBondContact OE1-ND2 3.28Å; E600-N703 PolarHBondContact OE2-ND2 3.42Å
704Q38.1Very low40Very low194 Ų194112.2 Ų112.291%0.90759%0.592SS**SBendtrans-136.9-12.7176.5-77.1-162.82.100117.4
705N31.8Very low38.5Very low163 Ų163113.7 Ų113.787%0.87260%0.597SS**SBendtrans-98.39.7-165.8-131.630.6000116.3
706N30.7Very low37.3Very low165 Ų165116.7 Ų116.788%0.88262%0.619SS**  trans-114.270.7-179.1-107.82.9000112.1
707R29.8Very low36.2Very low253 Ų253121.5 Ų121.596%0.95565%0.651SS**  trans-164.489.9160.3-109.6169.9-158.3-138.44.4112.2
708G28.1Very low34.9Very low71 Ų71126.6 Ų126.673%0.73267%0.666SS**  trans-119.1156.9150.900000108.4
709T27.4Very low33.7Very low126 Ų126130.3 Ų130.377%0.77369%0.685SS**  cis-156158.11.935.20000109.3
710D25.9Very low32.7Very low145 Ų145132.7 Ų132.778%0.77571%0.706SS**  trans66.7150.4165.9-59.1-8.5000116.7
711N27Very low31.5Very low129 Ų129140 Ų14069%0.6973%0.732SS**  cis-154.1172.2-2-140.2-40.3000113.2
712T26.5Very low30.8Very low111 Ų111143.7 Ų143.768%0.68173%0.734SS**  trans66.5128.7159.255.80000122.5
713N26.9Very low30.2Very low141 Ų141148.6 Ų148.675%0.75475%0.75SS**  trans35.9150.4132.6-65.245.6000122.3
714D26.2Very low29.7Very low116 Ų116149.1 Ų149.162%0.6276%0.762SS**  cis-156.8166.65.6-135.2-53.2000113.3
715R25.2Very low29.2Very low225 Ų225144.7 Ų144.785%0.84975%0.753SS**  trans34.6131.2159.2-78151.3-166.5-133.9-0.9124.6
716S29.5Very low29.7Very low89 Ų89142.6 Ų142.662%0.62275%0.748SS**  trans-63.5166.916567.30000116.1
717P37.5Very low30.4Very low121 Ų121140.2 Ų140.279%0.78674%0.742SS**  -121.4152.588.4-021.9000112.2
718R30Very low31.4Very low214 Ų214133 Ų13381%0.80873%0.727SS**  65.6137.657.4-67.9-174.2-178.5-169.31.8112.7
719L30.4Very low31.3Very low136 Ų136137.3 Ų137.371%0.71273%0.733SS**  cis-166.8171.922.7-130.1166.1000113.4
720C29.7Very low31.3Very low91 Ų91135.2 Ų135.262%0.61572%0.724SS**  trans88.2139.8159.6-64.50000119.4
721R29.4Very low31.5Very low214 Ų214135.4 Ų135.481%0.80872%0.723SS**  cis-157.9130-12.3-104.8166.5-172.9-169.9-0.2106.7
722K33.6Very low31.5Very low153 Ų153135.6 Ų135.667%0.66572%0.72SS**  73.1144.374.9-76.6-179.9155.3-166.80114.2
723F30.9Very low31.5Very low158 Ų158134.4 Ų134.469%0.69372%0.716SS**  cis-143.517610-100.6-59.9000109.3
724S28.7Very low31.5Very low116 Ų116136.5 Ų136.581%0.81171%0.714SS**  cis-159.9-176.749.3-66.20000114.4
725S27.6Very low31.5Very low101 Ų101136.7 Ų136.771%0.70672%0.719SS**  trans-124.3-168.3-164.3-42.50000112.1
726P42.7Very low31.4Very low120 Ų120130.7 Ų130.778%0.77971%0.712SS**  cis-137.4-143.3-0.950.4-29.6000114.1
727P45.8Very low31.1Very low115 Ų115131.8 Ų131.875%0.74772%0.719SS**  trans-123.9-139.1-14234.3-4.6000111.9
728P50.8Low31.8Very low100 Ų100131.4 Ų131.465%0.64972%0.717SS**  cis-142.2-170.5-13.245.6-26.4000117.3
729L26Very low31.6Very low163 Ų163126.6 Ų126.685%0.85371%0.711SS**  trans66.3147159.6-61.5174000120
730S27.3Very low31.4Very low82 Ų82130.6 Ų130.657%0.57372%0.716SS**  cis-175.1149.9-18.756.90000114.1
731I29Very low31.3Very low149 Ų149132.6 Ų132.676%0.76472%0.72SS**  trans68148.4145.3-72.3165.8000117.1
732Q27.2Very low31.2Very low132 Ų132133.4 Ų133.462%0.61772%0.723SS**  cis-169.3171.4-20.3-104.8-166103.600105.2
733S28Very low30.8Very low87 Ų87134.4 Ų134.461%0.60873%0.727SS**  cis-172.8-155.6-20.456.90000107.1
734R26.5Very low30.6Very low185 Ų185133.5 Ų133.570%0.69873%0.729SS**  cis-162.9122.17.3-133.8161-142.4-118.51.2111.6
735T25Very low30.4Very low119 Ų119132.3 Ų132.373%0.7372%0.72SS**  trans53.3159.713661.40000125.3
736S24.1Very low30.6Very low100 Ų100134.7 Ų134.770%0.69973%0.725SS**  trans72.286.7148.348.90000121.1
737S23.6Very low29.7Very low111 Ų111136.8 Ų136.878%0.77672%0.723SS**  15.1160.894-44.80000119.7
738P52.2Low29Very low114 Ų114136 Ų13674%0.7472%0.721SS**  cis-140.3-164.1-15.4234.2000114.6
739V25.6Very low29Very low113 Ų113136.4 Ų136.469%0.68572%0.724SS**  trans103.1128.3146-171.80000120.6
740R26.5Very low29.1Very low219 Ų219135.5 Ų135.583%0.82672%0.718SS**  trans81.399.7153.4-85.3165.5-173.7171.92.3123.3
741I26.5Very low29.1Very low133 Ų133137.7 Ų137.768%0.68273%0.728SS**  64.2135.1103.7-71.5-179.8000120.4
742R26.9Very low29.1Very low231 Ų231135.1 Ų135.187%0.87273%0.729SS**  trans71.6153.9165.3-76.2161-163.8-176.23.5116.1
743K26.6Very low29.4Very low174 Ų174140.4 Ų140.476%0.75774%0.743SS**  cis-170.2164.4-30.7-141.7-174.9176.8-175.40107.8
744L25.6Very low29.7Very low139 Ų139143 Ų14373%0.72876%0.755SS**  trans69.3105.6152.3-70.3170000121.8
745S25.7Very low30Very low91 Ų91137.8 Ų137.864%0.63676%0.76SS**  62.9121.9116.569.10000125.4
746L30.7Very low30.5Very low152 Ų152136.1 Ų136.180%0.79677%0.766SS**  78.2129.8127.1-64.8170.6000123.6
747H24.9Very low31.1Very low163 Ų163139.4 Ų139.476%0.75578%0.775SS**  trans66.7111.7146.6-79.7-61.2000124.1
748S29.5Very low31.5Very low100 Ų100140.6 Ų140.670%0.69977%0.772SS**  53.9159.9109.1-53.10000122.3
749P51.4Low30.8Very low108 Ų108141.8 Ų141.870%0.70177%0.772SS**  cis-143.9-159.5-31.736.2-12.5000115.3
750I28.4Very low31.3Very low144 Ų144142.2 Ų142.274%0.73878%0.775SS**  trans98.5107.8148.2-74.9167.2000124.2
751T27.6Very low31.6Very low128 Ų128136.4 Ų136.479%0.78577%0.768SS**  trans58.2136.2137.4700000129.9
752A29.4Very low31.9Very low95 Ų95136.5 Ų136.579%0.78578%0.775SS**  118.5105.8121.800000126.2
753R32.9Very low33.3Very low242 Ų242131.4 Ų131.491%0.91377%0.772SS**  63.7130.7129.5-91-177.1174.5-176.2-1.9128.9
754V33.3Very low33.6Very low141 Ų141131.5 Ų131.586%0.85578%0.775SS**  trans79.5150.7147.5176.30000120.9
755G33.9Very low34Very low77 Ų77130.4 Ų130.479%0.79477%0.774SS**  cis138.7125.4-22.200000120.4
756G34.8Very low35.7Very low84 Ų84130.8 Ų130.887%0.86677%0.774SS**  trans157.3131.9160.500000123.8
757L36.5Very low35.9Very low168 Ų168129.8 Ų129.888%0.8878%0.775SS**  trans58.1109.3146-64.9171.5000129.7
758D32.8Very low37.7Very low136 Ų136127.9 Ų127.973%0.72778%0.777SS**  88.4144.5107.8-119.8-18.2000131.8
759L37.3Very low38Very low139 Ų139131.3 Ų131.373%0.72878%0.782SS**  trans90.2114.7151.3-62.4174.5000130.8
760T35.3Very low37.1Very low122 Ų122131.7 Ų131.775%0.74878%0.782SS**  trans82.1118130.649.10000132.2
761S34.3Very low38.4Very low98 Ų98130.4 Ų130.469%0.68578%0.783SS**  90.2109.1117.874.20000130.6
762T31.3Very low38.7Very low135 Ų135130.2 Ų130.283%0.82878%0.782SS**  trans59166.9131.551.30000125.6
763P56.8Low39.9Very low123 Ų123131.3 Ų131.380%0.79978%0.781SS**  cis-131.5-168.19.142.1-22.2000118.6
764Q34.2Very low39.9Very low177 Ų177126 Ų12683%0.82778%0.776SS**  trans-86.8-160.6-168.2-58.1-178.2-10.500114.3
765T33Very low39.8Very low116 Ų116123.5 Ų123.571%0.71277%0.77SS**  cis-168.6-160.325.4-15.20000108.1
766P61.1Low39.5Very low98 Ų98126.4 Ų126.464%0.63677%0.773SS**  cis-136.8176.1-25.738.1-18.7000117.4
767T36.2Very low39.5Very low132 Ų132127.5 Ų127.581%0.8177%0.767SS**  trans64172.5154.844.70000119.2
768P60.8Low39.8Very low122 Ų122124.9 Ų124.979%0.79276%0.76SS**  cis-121.2-136.5-1.943.4-27.5000114.5
769Q36.6Very low40.5Very low172 Ų172123.8 Ų123.880%0.80476%0.76SS**  trans-140.4-166.9179.4-60.1-173-13.800109.6
770T32Very low40.1Very low117 Ų117122 Ų12272%0.71876%0.76SS**  cis-164-173.117.8-2.70000107.7
771P56.8Low40.2Very low116 Ų116121.3 Ų121.375%0.75376%0.76SS**  cis-125.9-91.8-1.534.7-12000116.2
772T32.8Very low40.1Very low124 Ų124121.7 Ų121.776%0.76176%0.763SS**  trans-149.1149.3-155.552.10000115.1
773P55.5Low40.4Very low119 Ų119121.6 Ų121.677%0.77376%0.762SS**  cis-127.6-94.92336-16.2000117.3
774T33.8Very low39.4Very low129 Ų129121.1 Ų121.179%0.79176%0.762SS**  trans-157.6160.7-147.952.50000112.1
775A31Very low39.6Very low90 Ų90118 Ų11874%0.74476%0.757SS**  cis-130.5-136-100000109.9
776T26.7Very low40.6Very low138 Ų138118.2 Ų118.285%0.84776%0.76SS**  cis-150.5173.69.5-36.10000109.4
777S34.2Very low40.4Very low107 Ų107118.5 Ų118.575%0.74876%0.762SS**  trans-161.5-179.4-166.570.70000112.9
778P43Very low40.2Very low113 Ų113119.2 Ų119.273%0.73476%0.761SS**  cis-137.5-166.53.839.3-18000114.9
779P47.8Very low39.1Very low112 Ų112120.8 Ų120.873%0.72776%0.763SS**  -135.1144.3-51.937.1-20.8000117.4
780S29.7Very low38.5Very low103 Ų103119.2 Ų119.272%0.7277%0.769SS**  trans23.6106.1143.262.30000126
781S36Very low38.6Very low106 Ų106123.5 Ų123.574%0.74178%0.778SS**  44.6134106.369.30000126.9
782S33.5Very low37.1Very low107 Ų107122.6 Ų122.675%0.74878%0.78SS**  113120.112478.20000123.9
783T37.9Very low36.9Very low132 Ų132121.6 Ų121.681%0.8178%0.778SS**  trans53.7148.5143.922.40000126.7
784S35.8Very low35.4Very low114 Ų114123.8 Ų123.880%0.79778%0.777SS**  trans106.5175.8152.787.80000117.4
785P38.1Very low35Very low112 Ų112124 Ų12473%0.72777%0.774SS**  trans-89.2170.8-142.438.1-42.7000117.7
786P54.3Low36.3Very low119 Ų119125.5 Ų125.577%0.77378%0.776SS**  trans-80.4170.416237.8-37.7000111.9
787P56.1Low37.5Very low105 Ų105124.4 Ų124.468%0.68277%0.771SS**  cis-140.717714.443.7-26000118.3
788N30.8Very low37.4Very low146 Ų146125.8 Ų125.878%0.78178%0.776SS**  trans69.5117.1146.8-71.2-10.2000124.1
789N38.5Very low37.5Very low156 Ų156125.8 Ų125.883%0.83478%0.776SS**  trans26.5127.4131.5-80.3-11.2000122.1
790C24Very low36.8Very low138 Ų138125.6 Ų125.693%0.93278%0.777SS**  -162.3172.2118.3-103.70000114
791K35.2Very low36.8Very low208 Ų208125.9 Ų125.990%0.90478%0.779SS**  trans-102.9146.8-173.2-59.6177178.1-179.30113.8
792A25Very low37.9Very low97 Ų97126.2 Ų126.280%0.80278%0.778SS**  trans-173.5169.7145.300000109
793S27.1Very low37.7Very low102 Ų102127 Ų12771%0.71377%0.774SS**  -177.6135.1-51.4-91.70000108.6
794Q24.5Very low37.4Very low165 Ų165128.7 Ų128.777%0.77177%0.773SS**  trans71.4116.3158.1-61.8-174.4-93.400122.1
795D25.6Very low36.8Very low133 Ų133128.1 Ų128.171%0.71177%0.769SS**  59.8171.7122.9-44.7-28.5000121.5
796P58.2Low37.3Very low122 Ų122128 Ų12879%0.79277%0.768SS**  cis-115.7-140.5-44.939.7-23.7000108.9
797P51.7Low36Very low115 Ų115128.6 Ų128.675%0.74777%0.769SS**  cis-126.8-162.1-26.342.3-24.7000113.4
798T32.2Very low35.5Very low137 Ų137128.9 Ų128.984%0.8477%0.771SS**  trans-148.9165.4176.451.20000113.5
799P46.1Very low35.2Very low113 Ų113126.5 Ų126.573%0.73477%0.772SS**  trans-128.6122.3158.632.4-16.5000112.9
800S32.2Very low34.6Very low107 Ų107123.3 Ų123.375%0.74877%0.767SS**  71.6143.280.476.20000114.6
801S30.2Very low34.6Very low109 Ų109126.2 Ų126.276%0.76277%0.767SS**  cis178.5-179.6-5.3-91.90000107.2
802P58.8Low34Very low113 Ų113119.5 Ų119.573%0.73476%0.756SS**  cis-99.4-118.1-619.63.1000112
803D29.9Very low34Very low123 Ų123123.8 Ų123.866%0.65876%0.76SS**  cis-167.2159.40.3-139.815.6000107.6
804Q30.3Very low33.8Very low168 Ų168127.6 Ų127.679%0.78577%0.766SS**  cis-128.6-124.15.7-78.8-170.3-10.500113.3
805S24.7Very low33.9Very low103 Ų103123.8 Ų123.872%0.7276%0.763SS**  trans-160.3169.4-158.870.70000112.6
806P48.5Very low34.4Very low108 Ų108122.9 Ų122.970%0.70177%0.765SS**  cis-143.6-167.8-20.5260.6000116.2
807V26.7Very low32.9Very low133 Ų133128 Ų12881%0.80677%0.768SS**  trans80.9155.5154.2-930000121.7
808P45.3Very low31.6Very low111 Ų111130.1 Ų130.172%0.72177%0.772SS**  -143.9-165.4-117.647.7-26.9000118.3
809A25Very low31.3Very low95 Ų95130.7 Ų130.779%0.78577%0.77SS**  trans70.3151.6153.900000118.5
810A24.9Very low31.1Very low90 Ų90130.2 Ų130.274%0.74477%0.766SS**  cis-166.6-171-17.500000107
811E23.8Very low30.6Very low199 Ų199135.1 Ų135.193%0.9378%0.775SS**  cis-123.1-119.65.7-64.1176.3119.400110.5
812G23.4Very low30.3Very low66 Ų66135.3 Ų135.368%0.6878%0.775SS**  cis127.5131.1-1.400000112.6
813E24.8Very low28.7Very low187 Ų187133.4 Ų133.487%0.87478%0.776SS**  cis-148160.6-13.5-88.8-164.5135.400111.8
814E22.9Very low28.4Very low182 Ų182137 Ų13785%0.8579%0.785SS**  trans25.3147.7157.4-58.1-146.6122.100126.2
815A26.6Very low28Very low85 Ų85136.8 Ų136.870%0.70279%0.789SS**  trans-112.1166.6153.600000109.2
816P37.4Very low27.9Very low115 Ų115142.5 Ų142.575%0.74780%0.795SS**  -153.7134.3118.133.4-13.9000118.4
817R25.5Very low26.7Very low229 Ų229148.8 Ų148.886%0.86481%0.805SS**  48.2138.4124-69.6-178.4174.6162.50.4124.1
818I24.3Very low26.4Very low160 Ų160147 Ų14782%0.82180%0.798SS**  trans101.6131.9134.6-78.2161000120.8
819D26.9Very low25.2Very low149 Ų149148.3 Ų148.380%0.79780%0.797SS**  trans-60.1-176.9167.8-98.7-50.8000115.6
820P40.5Very low25Very low102 Ų102154 Ų15466%0.66280%0.798SS**  cis-130.3-168.1-13.436.9-19.7000112.2
821F22.9Very low24.9Very low210 Ų210159.6 Ų159.692%0.92180%0.801SS**  trans-160.4155.7136.5-119.3-75.9000114.3
822C22.8Very low24.8Very low113 Ų113155.3 Ų155.376%0.76479%0.788SS**  trans-137.4140.6172.1-175.70000110.6
823G24.6Very low24.7Very low74 Ų74157.4 Ų157.476%0.76379%0.788SS**  trans-153148.8-178.900000113.5
824K23.9Very low24.7Very low197 Ų197155.2 Ų155.286%0.85778%0.781SS**  trans-130156.3-178.1-58.8171.5-177.3170.90109.5
825L21.8Very low24.8Very low165 Ų165154.3 Ų154.386%0.86478%0.777SS**  163.2163.4108.7-163.755.9000113.2
826R23.4Very low24.8Very low223 Ų223155.3 Ų155.384%0.84278%0.778SS**  trans-74.7146.9179.3-61.1167.9165.4177.1-7114.6
827R23.6Very low24.3Very low240 Ų240155.9 Ų155.991%0.90678%0.78SS**  178.3149.4127.6-92.2152-174.8163.21.6107.5
828S19.5Very low24.4Very low96 Ų96149.5 Ų149.567%0.67177%0.77SS**  cis114.7127.312-170.50000112.4
829I21.3Very low24.5Very low137 Ų137148.7 Ų148.770%0.70377%0.767SS**  trans81114.6159.5-75165.6000120.1
830R19.9Very low24.5Very low214 Ų214147.8 Ų147.881%0.80876%0.758SS**  trans56.3143.5143.1-65.4177.6179.7164.6-4118.8
831R22.3Very low24.2Very low209 Ų209149.3 Ų149.379%0.78975%0.754SS**  cis176.4164.443.4-139.3-177.3-165.6149.7-1110
832T22.4Very low24.2Very low108 Ų108147.1 Ų147.166%0.66375%0.75SS**  trans66.5109.5143.4-60.50000118
833V22.1Very low24.5Very low111 Ų111147.8 Ų147.867%0.67375%0.745SS**  73.2134.676.6166.20000111
834L24.2Very low25.7Very low140 Ų140149.7 Ų149.773%0.73374%0.743SS**  cis-115.8149.634.5-84.590.9000114.5
835E25.5Very low25.8Very low164 Ų164147.9 Ų147.977%0.76674%0.738SS**  65.9150.978.5-51.2-179.4-169.800115.1
836S26.5Very low26.2Very low105 Ų105144 Ų14473%0.73473%0.725SS**  cis-145-170.313.169.20000109.3
837V27.2Very low27Very low128 Ų128138.5 Ų138.578%0.77672%0.718SS**  cis-173.6155.5-10.9116.30000103.6
838S27.1Very low27.2Very low95 Ų95136 Ų13666%0.66472%0.716SS**  cis-161.1-165.4-27.7-82.40000104.7
839L26Very low27.4Very low142 Ų142137.6 Ų137.674%0.74373%0.728SS**  cis-152145.76.8-156.169.3000104.3
840E27.5Very low27.6Very low131 Ų131135.9 Ų135.961%0.61273%0.728SS**  cis70141.347.7-81.1-158.7153.200115.3
841K34.2Very low27.8Very low134 Ų134134.1 Ų134.158%0.58373%0.729SS**  cis-162.3-176.8-15.9-138.3176-154.51610110.1I843K841-I843 HydrophobicContact CD-CD1 4.4Å; K841-I843 HydrophobicContact CD-CG1 4.06Å; K841-I843 HydrophobicContact CG-CG1 4.44Å
842I23.3Very low28Very low164 Ų164128.7 Ų128.784%0.84173%0.729SS**  -168.815286.3-88.9167.7000111.2
843I27.9Very low28.1Very low126 Ų126127.5 Ų127.565%0.64674%0.738SS**  trans-152.4151.5-174.444163.1000109K841K841-I843 HydrophobicContact CD-CD1 4.4Å; K841-I843 HydrophobicContact CD-CG1 4.06Å; K841-I843 HydrophobicContact CG-CG1 4.44Å
844P50.4Low28.3Very low114 Ų114129.8 Ų129.874%0.7475%0.747SS**  -145.6-154.676.637.7-14.1000112.4
845E24.8Very low28.4Very low159 Ų159131.4 Ų131.474%0.74375%0.753SS**  cis-157.8-165.55.8-158.922.1-95.500112.3
846S31.1Very low28.5Very low84 Ų84128.3 Ų128.359%0.58775%0.749SS**  trans-137.5-174.4-174.668.30000111.8
847P39.7Very low29Very low107 Ų107129.2 Ų129.270%0.69575%0.752SS**  -157.816069.541.1-18.5000121
848Q27.9Very low28.8Very low187 Ų187128.5 Ų128.587%0.87475%0.752SS**  trans51.8128.6142.6-66.8-180-800125.5
849S24.1Very low28.7Very low131 Ų131135.5 Ų135.592%0.91676%0.764SS**  179.9-179.1114.753.80000113.8
850S25.6Very low28.9Very low100 Ų100133.7 Ų133.770%0.69976%0.763SS**  trans-120.2161.1-146.7550000115.3
851E24.1Very low29Very low177 Ų177133 Ų13383%0.82777%0.77SS**  cis-166.9157.5-1.8-121173.8-104.200114.7
852A26.4Very low28.5Very low95 Ų95132 Ų13279%0.78578%0.78SS**  trans56.8138.1133.900000125.4
853G25.1Very low28.7Very low84 Ų84130.1 Ų130.187%0.86678%0.776SS**  trans170.4101.7165.800000114.1
854D26.1Very low28.6Very low158 Ų158130.1 Ų130.185%0.84578%0.784SS**  trans-90.6149.4-172-104.2-49.5000115.7
855M25.8Very low27.4Very low175 Ų175135.9 Ų135.986%0.86279%0.791SS**  169.6119.9122.7-92.5-69.5175.900115.6
856S27.3Very low27.5Very low98 Ų98137.4 Ų137.469%0.68580%0.798SS**  trans39.9126.2144.5-160.10000122.9
857P36.7Very low27.1Very low124 Ų124141.5 Ų141.581%0.80581%0.812SS**  trans-90.6121.2168.834.3-30.8000113.5
858C23.3Very low26.5Very low114 Ų114148.1 Ų148.177%0.7782%0.823SS**  trans-160.2138.3169.6-1140000116.6
859R25Very low26.2Very low241 Ų241150.5 Ų150.591%0.90983%0.826SS**  trans68.4152.3162.3-63.1-173.9173.3-146-2.4119.2
860S31.6Very low26.1Very low104 Ų104154 Ų15473%0.72782%0.819SS**  trans-102.8142.2-17930.80000113.4
861P27.7Very low26.1Very low118 Ų118156.6 Ų156.677%0.76682%0.82SS**  trans-83.8130.3155.633.3-28.6000108.7
862S24.3Very low26.5Very low112 Ų112153.9 Ų153.978%0.78382%0.818SS**  cis69119.746-55.90000113.3
863T27.9Very low26.4Very low125 Ų125152.7 Ų152.777%0.76782%0.815SS**  trans-69145.9-172.943.80000113.6R865T863-R865 PolarHBondContact O-N 2.97Å
864P26.3Very low26.3Very low126 Ų126155.8 Ų155.882%0.81882%0.817SS**  trans-67.2115.1168.8-17.331.2000110.9
865R25.3Very low26.3Very low235 Ų235156.8 Ų156.889%0.88782%0.816SS**PPolyproline II helixtrans-87.4120.7162.3-80.4-178.8168.6171.8-2.8108.9T863 L867T863-R865 PolarHBondContact O-N 2.97Å; R865-L867 PolarHBondContact O-N 2.75Å
866H25.5Very low26.4Very low191 Ų191154.5 Ų154.588%0.88482%0.818SS**PPolyproline II helixtrans-62.5121.5169.2-87.5-90.2000111
867L24.3Very low26.3Very low169 Ų169153.4 Ų153.489%0.88582%0.822SS**PPolyproline II helixtrans-84.3152.3162.8-92.5167.1000110.4R865R865-L867 PolarHBondContact O-N 2.75Å
868R25.8Very low25.7Very low246 Ų246156.3 Ų156.393%0.92883%0.825SS**PPolyproline II helixtrans-87.3136.8-178.4-67174.3173.9161.8-3.5111.2
869Y22.5Very low25.8Very low237 Ų237159.1 Ų159.193%0.92983%0.832SS**  trans-123.9164.3152.6-151.5-101.3000109
870R21.9Very low25.9Very low206 Ų206152.8 Ų152.878%0.77783%0.825SS**  trans-149.8156.3-168.2-166.6-177.3-177.7-166.82.3112.8
871Q25.4Very low25.8Very low153 Ų153160 Ų16072%0.71584%0.836SS**  trans93.3150.7172.9-51.5-7325.100113.9
872P33.1Very low25.8Very low120 Ų120159.2 Ų159.278%0.77983%0.832SS**  -141.5159.9-61.136-19.5000115.1
873G22.7Very low25.9Very low70 Ų70158.9 Ų158.972%0.72283%0.83SS**  trans148.6137149.600000119.6
874V24.6Very low25.8Very low150 Ų150158.5 Ų158.591%0.90983%0.827SS**  trans71.1167.5154.1-164.50000116.6
875Q26.3Very low25.9Very low178 Ų178155.7 Ų155.783%0.83281%0.811SS**  trans-129.4175.5-149.1-62.7173.9-50.600114.8
876S26.2Very low26.2Very low127 Ų127149.9 Ų149.989%0.88880%0.803SS**  trans84.2139.9-178.2780000114.9
877G25.7Very low26.4Very low75 Ų75144.7 Ų144.777%0.77379%0.793SS**  cis17385.8-4.600000111.1
878E24.8Very low26.8Very low186 Ų186139.5 Ų139.587%0.86977%0.771SS**  trans-82.1143.8-170.2-63.2-178134.500113.9
879N24.8Very low27.1Very low172 Ų172130.2 Ų130.292%0.9275%0.747SS**  trans-121101.5171.1-130-9.3000109.3
880S27.1Very low27.5Very low109 Ų109126.3 Ų126.376%0.76274%0.735SS**  trans-94.7112.9-177.1-78.60000112.4
881R29.6Very low28Very low256 Ų256120 Ų12097%0.96673%0.727SS**PPolyproline II helixtrans-81.7131.5164.1-77-174.8170-175.7-4.1110.1
882C27.1Very low28.5Very low100 Ų100119.2 Ų119.268%0.67673%0.726SS**PPolyproline II helixtrans-98.3135.2-172.7-166.80000111.6
883S26.3Very low28.3Very low105 Ų105117.7 Ų117.773%0.73472%0.724SS**PPolyproline II helixtrans-72.4139.2177.149.90000112.7
884V26.6Very low29Very low117 Ų117117.8 Ų117.871%0.70971%0.71SS**PPolyproline II helixtrans-95.8151.6-178.6-177.20000110.3
885S28.8Very low29.3Very low68 Ų68115 Ų11548%0.47670%0.703SS.*PPolyproline II helixtrans-76.4142.7-180-177.80000112.2A887 S888S885-A887 PolarHBondContact O-N 2.62Å; S885-A887 VanDerWaalsContact O-N 3.07Å; S885-S888 PolarHBondContact O-N 3.36Å
886P30.9Very low29.4Very low112 Ų112111.2 Ų111.273%0.72770%0.703SS**Hα-helixtrans-53.9-29175.2-27.635.4000114.5S888 A889P886-S888 PolarHBondContact O-N 2.72Å; P886-A889 PolarHBondContact O-N 2.67Å
887A30.8Very low29.6Very low82 Ų82110 Ų11068%0.67870%0.7SS**Hα-helixtrans-64.2-25.1177.100000113.6S885S885-A887 PolarHBondContact O-N 2.62Å; S885-A887 VanDerWaalsContact O-N 3.07Å
888S31.7Very low29.7Very low61 Ų61110.4 Ų110.443%0.42770%0.704SS.*Hα-helixtrans-85.8-31.6178.3-55.90000112.6S885 P886 F890 A891S885-S888 PolarHBondContact O-N 3.36Å; P886-S888 PolarHBondContact O-N 2.72Å; S888-F890 PolarHBondContact O-N 2.77Å; S888-A891 PolarHBondContact O-N 2.9Å
889A31.5Very low29.9Very low51 Ų51111.4 Ų111.442%0.42171%0.708SS.*Hα-helixtrans-66.5-36.1-179.700000112.6P886 A891 I892 A893P886-A889 PolarHBondContact O-N 2.67Å; A889-A891 PolarHBondContact O-N 2.75Å; A889-I892 PolarHBondContact O-N 3.49Å; A889-I892 VanDerWaalsContact O-N 3.13Å; A889-A893 PolarHBondContact O-N 2.84Å
890F31.8Very low30Very low154 Ų154106.7 Ų106.768%0.67570%0.7SS**Hα-helixtrans-63.7-28-179.8-164.7-98.2000113.5S888 T894S888-F890 PolarHBondContact O-N 2.77Å; F890-T894 PolarHBondContact O-OG1 3.31Å; F890-T894 VanDerWaalsContact O-OG1 3.05Å
891A33.1Very low30.4Very low73 Ų73108.6 Ų108.660%0.60371%0.707SS**Hα-helixtrans-72.2-29.4176.100000112.9S888 A889S888-A891 PolarHBondContact O-N 2.9Å; A889-A891 PolarHBondContact O-N 2.75Å
892I34.8Very low30.4Very low138 Ų138101.9 Ų101.971%0.70870%0.697SS**Hα-helixtrans-80-40.4-175.5-59.9170.7000110.7A889 T894A889-I892 PolarHBondContact O-N 3.49Å; A889-I892 VanDerWaalsContact O-N 3.13Å; I892-T894 VanDerWaalsContact C-N 3.3Å; I892-T894 PolarHBondContact O-N 3.39Å
893A29.5Very low30.7Very low88 Ų88103 Ų10373%0.72770%0.703SS**THydrogen-bonded Turntrans-76-5.5-172.100000115.9A889A889-A893 PolarHBondContact O-N 2.84Å
894T37Very low31.1Very low71 Ų71104.1 Ų104.144%0.43671%0.705SS.*THydrogen-bonded Turntrans-105.72.2-170.5-42.90000113.6F890 I892 A896F890-T894 PolarHBondContact O-OG1 3.31Å; F890-T894 VanDerWaalsContact O-OG1 3.05Å; I892-T894 VanDerWaalsContact C-N 3.3Å; I892-T894 PolarHBondContact O-N 3.39Å; T894-A896 VanDerWaalsContact C-N 3.34Å; T894-A896 PolarHBondContact O-N 3.14Å
895A31Very low31.2Very low92 Ų92108.5 Ų108.576%0.7672%0.715SS**  trans-78.1-8.7-17300000115.6
896A28.9Very low31.4Very low99 Ų99108.8 Ų108.882%0.81872%0.721SS**SBendtrans-107.552.4-163.800000115.2T894T894-A896 VanDerWaalsContact C-N 3.34Å; T894-A896 PolarHBondContact O-N 3.14Å
897A29.7Very low31.4Very low102 Ų102110.6 Ų110.684%0.84373%0.725SS**  trans-166.4126162.200000113.7
898G28Very low31.2Very low82 Ų82110.5 Ų110.585%0.84572%0.719SS**  trans132.6115.6161.400000115.4
899H29.6Very low31.4Very low208 Ų208113.3 Ų113.396%0.96373%0.726SS**  trans-85.5149.7171.7-71.7-91000112.2
900G26.9Very low31.7Very low72 Ų72121.5 Ų121.574%0.74275%0.746SS**  trans172.6113.8166.800000111.6
901T34Very low31.7Very low149 Ų149119.4 Ų119.491%0.91475%0.745SS**PPolyproline II helixtrans-96.9129-173.930.80000113.5
902P29.5Very low32.2Very low115 Ų115119.2 Ų119.275%0.74774%0.739SS**PPolyproline II helixtrans-103164162.736.7-29.5000112.6
903P34.3Very low33Very low123 Ų123116 Ų11680%0.79972%0.723SS**PPolyproline II helixtrans-89.3168.5-170.735.3-36.9000115.8
904V35.7Very low34.1Very low130 Ų130116.5 Ų116.579%0.78871%0.709SS**PPolyproline II helixtrans-82.8136.4-169.5179.50000114.4
905F27.3Very low35.3Very low209 Ų209117 Ų11792%0.91771%0.706SS**  trans-144.7157.6154.1-82.8-74.4000110.5
906A33.8Very low36.9Very low73 Ų73117.1 Ų117.160%0.60369%0.69SS**  trans-123.8163.2-163.200000115.3
907N30.1Very low38.5Very low151 Ų151114.3 Ų114.381%0.80766%0.661SS**SBendtrans69.229.4161.8-62.8-14.6000118.5
908S27.2Very low40.2Very low80 Ų80109.4 Ų109.456%0.55962%0.62SS**  trans-120.80.5171.9-1630000114.5R910 T911 C912S908-R910 PolarHBondContact O-N 2.95Å; S908-T911 PolarHBondContact O-OG1 3.5Å; S908-C912 PolarHBondContact O-N 3.26Å
909E36Very low42.3Very low120 Ų120110.8 Ų110.856%0.56160%0.6SS**Hα-helixtrans-51.5-64.6-153.9-66.8145.7179.100114.8T911 C912 D913E909-T911 PolarHBondContact O-N 3.18Å; E909-C912 WeakPolarHBondContact O-CA 3.49Å; E909-C912 VanDerWaalsContact O-CB 3.25Å; E909-C912 WeakPolarHBondContact O-CB 3.44Å; E909-C912 PolarHBondContact O-N 3.03Å; E909-D913 PolarHBondContact O-N 3.41Å
910R37.3Very low44.3Very low223 Ų223103.1 Ų103.184%0.84256%0.563SS**Hα-helixtrans-58.4-20.6-167.5-54.4-173.3-161.6-175.64.9116.2S908 D913S908-R910 PolarHBondContact O-N 2.95Å; R910-D913 WeakPolarHBondContact CA-OD2 3.41Å
911T33.1Very low46.2Very low109 Ų109101 Ų10167%0.66954%0.539SS*.Hα-helixtrans-92.4-36.7173.29.20000112S908 E909 D913 E915S908-T911 PolarHBondContact O-OG1 3.5Å; E909-T911 PolarHBondContact O-N 3.18Å; T911-D913 VanDerWaalsContact C-N 3.34Å; T911-E915 PolarHBondContact O-N 2.93Å
912C41.9Very low48.3Very low70 Ų7094 Ų9447%0.47350%0.495SS..Hα-helixtrans-59.6-44.4174-162.10000111.2S908 E909 K914 E915 F916S908-C912 PolarHBondContact O-N 3.26Å; E909-C912 WeakPolarHBondContact O-CA 3.49Å; E909-C912 VanDerWaalsContact O-CB 3.25Å; E909-C912 WeakPolarHBondContact O-CB 3.44Å; E909-C912 PolarHBondContact O-N 3.03Å; C912-K914 PolarHBondContact O-N 3.04Å; C912-E915 PolarHBondContact O-N 2.76Å; C912-E915 VanDerWaalsContact O-N 3.12Å; C912-F916 WeakPolarHBondContact O-CB 3.45Å; C912-F916 PolarHBondContact O-N 3.11Å
913D52.1Low50.7Low69 Ų6988.9 Ų88.937%0.36946%0.462SS..Hα-helixtrans-54.8-49.9-175.6-54.7-35.3000112.3E909 R910 T911 E915 F916 I917E909-D913 PolarHBondContact O-N 3.41Å; R910-D913 WeakPolarHBondContact CA-OD2 3.41Å; T911-D913 VanDerWaalsContact C-N 3.34Å; D913-E915 PolarHBondContact O-N 2.71Å; D913-F916 PolarHBondContact O-N 3.45Å; D913-I917 VanDerWaalsContact O-CD1 3.29Å; D913-I917 WeakPolarHBondContact O-CD1 3.12Å; D913-I917 WeakPolarHBondContact O-CG1 3.37Å; D913-I917 PolarHBondContact O-N 2.83Å
914K53.8Low52.6Low100 Ų10085.4 Ų85.444%0.43544%0.437SS..Hα-helixtrans-68.9-34.9-179.5-66.1-167.7179.2-167.70112.4F700 C912 I918F700-K914 HydrophobicContact CD1-CD 4.3Å; F700-K914 HydrophobicContact CE1-CB 4.3Å; F700-K914 HydrophobicContact CE1-CD 3.95Å; F700-K914 HydrophobicContact CE1-CG 3.98Å; F700-K914 HydrophobicContact CE2-CB 4.49Å; F700-K914 HydrophobicContact CE2-CD 4.26Å; F700-K914 HydrophobicContact CZ-CB 3.8Å; F700-K914 HydrophobicContact CZ-CD 3.92Å; F700-K914 HydrophobicContact CZ-CG 3.95Å; C912-K914 PolarHBondContact O-N 3.04Å; K914-I918 PolarHBondContact O-N 2.96Å
915E60.8Low54.9Low81 Ų8180.2 Ų80.238%0.37940%0.403SS..Hα-helixtrans-68.6-44.8175.9177.9154-163.600111.9F688 T911 C912 D913 I918 R919F688-E915 HydrophobicContact CE2-CB 4.02Å; F688-E915 HydrophobicContact CE2-CG 3.83Å; F688-E915 HydrophobicContact CZ-CB 4.16Å; F688-E915 HydrophobicContact CZ-CG 4.47Å; T911-E915 PolarHBondContact O-N 2.93Å; C912-E915 PolarHBondContact O-N 2.76Å; C912-E915 VanDerWaalsContact O-N 3.12Å; D913-E915 PolarHBondContact O-N 2.71Å; E915-I918 PolarHBondContact O-N 3.01Å; E915-R919 HydrophobicContact CG-CG 4.46Å; E915-R919 WeakPolarHBondContact O-CB 3.16Å; E915-R919 VanDerWaalsContact O-CG 3.29Å; E915-R919 WeakPolarHBondContact O-CG 3.34Å; E915-R919 PolarHBondContact O-N 2.96Å; E915-R919 IonicContact OE1-CZ 2.75Å; E915-R919 IonicContact OE1-NE 3.69Å; E915-R919 PolarHBondContact OE1-NE 2.84Å; E915-R919 IonicContact OE1-NH2 3.65Å; E915-R919 PolarHBondContact OE1-NH2 3.49Å; E915-R919 IonicContact OE2-NH2 2.84Å
916F65.3Low57.7Low94 Ų9470.3 Ų70.341%0.41236%0.36SS..Hα-helixtrans-59.1-49174.2-175-101.7000111.9C912 D913 I918 R919 R920C912-F916 WeakPolarHBondContact O-CB 3.45Å; C912-F916 PolarHBondContact O-N 3.11Å; D913-F916 PolarHBondContact O-N 3.45Å; F916-I918 VanDerWaalsContact C-N 3.35Å; F916-I918 PolarHBondContact O-N 3.02Å; F916-R919 PolarHBondContact O-N 3.15Å; F916-R920 WeakPolarHBondContact O-CB 3.5Å; F916-R920 PolarHBondContact O-N 3.14Å
917I61.7Low60.1Low40 Ų4067.2 Ų67.221%0.20533%0.333CS..Hα-helixtrans-59.2-42.5179.3-68.1159.3000112V597 F699 D913 R920 A921V597-I917 HydrophobicContact CG1-CD1 4.42Å; V597-I917 HydrophobicContact CG2-CD1 3.49Å; V597-I917 VanDerWaalsContact CG2-CD1 3.49Å; V597-I917 HydrophobicContact CG2-CG1 4.41Å; F699-I917 HydrophobicContact CE1-CG2 3.87Å; F699-I917 HydrophobicContact CZ-CG2 4.07Å; D913-I917 VanDerWaalsContact O-CD1 3.29Å; D913-I917 WeakPolarHBondContact O-CD1 3.12Å; D913-I917 WeakPolarHBondContact O-CG1 3.37Å; D913-I917 PolarHBondContact O-N 2.83Å; I917-R920 WeakPolarHBondContact O-CB 3.33Å; I917-R920 PolarHBondContact O-N 3.24Å; I917-A921 WeakPolarHBondContact O-CB 3.26Å; I917-A921 PolarHBondContact O-N 3.02Å
918I66.9Low62.5Low0 Ų064.2 Ų64.20%032%0.317CS..Hα-helixtrans-72.3-42.5-179.1-78.5167.8000111.6P687 F688 I691 L696 F699 F700 K914 E915 F916 R920 A921 A922P687-I918 HydrophobicContact CB-CG2 3.69Å; P687-I918 HydrophobicContact CG-CG2 4.02Å; F688-I918 HydrophobicContact CD2-CG2 4.05Å; F688-I918 HydrophobicContact CE1-CD1 3.58Å; F688-I918 HydrophobicContact CE2-CB 3.74Å; F688-I918 HydrophobicContact CE2-CD1 4.27Å; F688-I918 HydrophobicContact CE2-CG2 3.58Å; F688-I918 HydrophobicContact CZ-CB 3.7Å; F688-I918 HydrophobicContact CZ-CD1 3.42Å; F688-I918 VanDerWaalsContact CZ-CD1 3.42Å; F688-I918 HydrophobicContact CZ-CG1 4.11Å; F688-I918 HydrophobicContact CZ-CG2 3.87Å; I691-I918 HydrophobicContact CD1-CG2 4.09Å; L696-I918 HydrophobicContact CD2-CD1 3.79Å; L696-I918 HydrophobicContact CD2-CG1 4.4Å; F699-I918 HydrophobicContact CE1-CG1 4.27Å; F700-I918 HydrophobicContact CE2-CD1 3.44Å; F700-I918 VanDerWaalsContact CE2-CD1 3.44Å; F700-I918 HydrophobicContact CZ-CD1 3.43Å; F700-I918 VanDerWaalsContact CZ-CD1 3.43Å; F700-I918 HydrophobicContact CZ-CG1 4.11Å; K914-I918 PolarHBondContact O-N 2.96Å; E915-I918 PolarHBondContact O-N 3.01Å; F916-I918 VanDerWaalsContact C-N 3.35Å; F916-I918 PolarHBondContact O-N 3.02Å; I918-R920 VanDerWaalsContact C-N 3.34Å; I918-R920 PolarHBondContact O-N 3.34Å; I918-A921 PolarHBondContact O-N 3.17Å; I918-A922 WeakPolarHBondContact O-CB 3.45Å; I918-A922 PolarHBondContact O-N 2.93Å
919R71.9Confident65.2Low111 Ų11160.4 Ų60.442%0.41929%0.29SS..Hα-helixtrans-55.9-49.7170.4-69.7175.1-170.9-178.56.1110.5P687 E915 F916 A921 A922 T923P687-R919 HydrophobicContact CG-CG 4.06Å; E915-R919 HydrophobicContact CG-CG 4.46Å; E915-R919 WeakPolarHBondContact O-CB 3.16Å; E915-R919 VanDerWaalsContact O-CG 3.29Å; E915-R919 WeakPolarHBondContact O-CG 3.34Å; E915-R919 PolarHBondContact O-N 2.96Å; E915-R919 IonicContact OE1-CZ 2.75Å; E915-R919 IonicContact OE1-NE 3.69Å; E915-R919 PolarHBondContact OE1-NE 2.84Å; E915-R919 IonicContact OE1-NH2 3.65Å; E915-R919 PolarHBondContact OE1-NH2 3.49Å; E915-R919 IonicContact OE2-NH2 2.84Å; F916-R919 PolarHBondContact O-N 3.15Å; R919-A921 PolarHBondContact O-N 3.47Å; R919-A922 PolarHBondContact O-N 2.82Å; R919-A922 VanDerWaalsContact O-N 3.17Å; R919-T923 PolarHBondContact O-N 3.34Å; R919-T923 PolarHBondContact O-OG1 3.47Å; R919-T923 VanDerWaalsContact O-OG1 3.1Å
920R71.7Confident67.7Low46 Ų4654.7 Ų54.717%0.17426%0.264CS..Hα-helixtrans-53.9-50177.7-170.280.8-155.8142.715.7112.3F916 I917 I918 N924 E968F916-R920 WeakPolarHBondContact O-CB 3.5Å; F916-R920 PolarHBondContact O-N 3.14Å; I917-R920 WeakPolarHBondContact O-CB 3.33Å; I917-R920 PolarHBondContact O-N 3.24Å; I918-R920 VanDerWaalsContact C-N 3.34Å; I918-R920 PolarHBondContact O-N 3.34Å; R920-N924 PolarHBondContact O-N 3.06Å; R920-N924 VanDerWaalsContact O-N 3.12Å; R920-N924 PolarHBondContact O-ND2 3.1Å; R920-E968 IonicContact CZ-OE1 3.86Å; R920-E968 IonicContact CZ-OE2 2.72Å; R920-E968 VanDerWaalsContact CZ-OE2 3.26Å; R920-E968 IonicContact NE-OE1 2.65Å; R920-E968 IonicContact NH1-OE1 2.72Å; R920-E968 PolarHBondContact NH1-OE1 3.22Å; R920-E968 IonicContact NH1-OE2 2.64Å; R920-E968 PolarHBondContact NH1-OE2 3.5Å; R920-E968 VanDerWaalsContact NH2-CG 3.31Å; R920-E968 IonicContact NH2-OE1 2.7Å; R920-E968 PolarHBondContact NH2-OE1 3.47Å; R920-E968 IonicContact NH2-OE2 3.15Å; R920-E968 PolarHBondContact NH2-OE2 2.86Å
921A67Low70Confident29 Ų2951.3 Ų51.324%0.2425%0.251CS..Hα-helixtrans-67.8-36.1-179.700000112.2L652 I917 I918 R919 R925L652-A921 HydrophobicContact CD1-CB 3.78Å; L652-A921 HydrophobicContact CD2-CB 4.47Å; I917-A921 WeakPolarHBondContact O-CB 3.26Å; I917-A921 PolarHBondContact O-N 3.02Å; I918-A921 PolarHBondContact O-N 3.17Å; R919-A921 PolarHBondContact O-N 3.47Å; A921-R925 WeakPolarHBondContact O-CB 3.36Å; A921-R925 PolarHBondContact O-N 3.47Å
922A77.8Confident72.4Confident0 Ų047.9 Ų47.90%023%0.227CC..Hα-helixtrans-66-47.8174.700000112.7L652 I683 P687 I918 R919 N924 R925 V926L652-A922 HydrophobicContact CD2-CB 4.34Å; I683-A922 HydrophobicContact CG2-CB 3.91Å; P687-A922 HydrophobicContact CB-CB 3.79Å; P687-A922 HydrophobicContact CG-CB 4.42Å; I918-A922 WeakPolarHBondContact O-CB 3.45Å; I918-A922 PolarHBondContact O-N 2.93Å; R919-A922 PolarHBondContact O-N 2.82Å; R919-A922 VanDerWaalsContact O-N 3.17Å; A922-N924 PolarHBondContact O-N 2.64Å; A922-R925 WeakPolarHBondContact O-CB 3.43Å; A922-R925 PolarHBondContact O-N 3.17Å; A922-V926 WeakPolarHBondContact O-CG2 3.46Å; A922-V926 PolarHBondContact O-N 3.44Å
923T79.9Confident74.7Confident8 Ų844.6 Ų44.65%0.04921%0.205CC..Hα-helixtrans-58.9-46.9176.5-55.20000111.2Y684 R919 R925 V926 L927 V958 L964 E968Y684-T923 HydrophobicContact CD2-CG2 4.31Å; Y684-T923 WeakPolarHBondContact CD2-OG1 3.33Å; Y684-T923 HydrophobicContact CE2-CG2 4.11Å; Y684-T923 WeakPolarHBondContact CE2-OG1 3.39Å; R919-T923 PolarHBondContact O-N 3.34Å; R919-T923 PolarHBondContact O-OG1 3.47Å; R919-T923 VanDerWaalsContact O-OG1 3.1Å; T923-R925 VanDerWaalsContact C-N 3.3Å; T923-R925 PolarHBondContact O-N 2.86Å; T923-V926 PolarHBondContact O-N 3.48Å; T923-L927 HydrophobicContact CG2-CD1 3.9Å; T923-L927 HydrophobicContact CG2-CG 4.42Å; T923-L927 WeakPolarHBondContact O-CB 3.22Å; T923-L927 WeakPolarHBondContact O-CG 3.45Å; T923-L927 PolarHBondContact O-N 2.89Å; T923-V958 HydrophobicContact CG2-CG1 4.49Å; T923-L964 HydrophobicContact CG2-CD1 4Å; T923-E968 VanDerWaalsContact CG2-CD 3.47Å; T923-E968 HydrophobicContact CG2-CG 4.36Å
924N74.1Confident76.5Confident51 Ų5141.8 Ų41.827%0.27319%0.19SC..Hα-helixtrans-60.5-37173.7-78.2-77.3000112.5R920 A922 N928 E968R920-N924 PolarHBondContact O-N 3.06Å; R920-N924 VanDerWaalsContact O-N 3.12Å; R920-N924 PolarHBondContact O-ND2 3.1Å; A922-N924 PolarHBondContact O-N 2.64Å; N924-N928 VanDerWaalsContact O-CB 3.31Å; N924-N928 WeakPolarHBondContact O-CB 3.25Å; N924-N928 PolarHBondContact O-N 3.36Å; N924-N928 PolarHBondContact O-ND2 3.05Å; N924-E968 VanDerWaalsContact CG-OE1 3.24Å; N924-E968 PolarHBondContact ND2-OE1 2.87Å
925R83.2Confident77.8Confident20 Ų2039.8 Ų39.88%0.07519%0.189CC..Hα-helixtrans-65.5-49.2175.617751.958.7102.612111.7L649 D651 L652 F654 A921 A922 T923 N928 V929L649-R925 PolarHBondContact O-NH1 2.95Å; D651-R925 PolarHBondContact O-NH1 3.13Å; D651-R925 PolarHBondContact O-NH2 3.29Å; L652-R925 HydrophobicContact CD2-CB 3.96Å; L652-R925 HydrophobicContact CD2-CG 4.41Å; L652-R925 PolarHBondContact O-NH2 2.93Å; F654-R925 VanDerWaalsContact C-NH2 3.25Å; F654-R925 PolarHBondContact O-NH1 3Å; F654-R925 PolarHBondContact O-NH2 2.96Å; F654-R925 VanDerWaalsContact O-NH2 3.1Å; A921-R925 WeakPolarHBondContact O-CB 3.36Å; A921-R925 PolarHBondContact O-N 3.47Å; A922-R925 WeakPolarHBondContact O-CB 3.43Å; A922-R925 PolarHBondContact O-N 3.17Å; T923-R925 VanDerWaalsContact C-N 3.3Å; T923-R925 PolarHBondContact O-N 2.86Å; R925-N928 PolarHBondContact O-N 2.9Å; R925-V929 WeakPolarHBondContact O-CG2 3.34Å; R925-V929 PolarHBondContact O-N 2.83Å
926V86.4Confident78.8Confident2 Ų241.3 Ų41.31%0.01219%0.194CC..Hα-helixtrans-60.4-48.7-179.4171.30000110.6L680 I683 A922 T923 N928 V929 L930 L954L680-V926 HydrophobicContact CB-CG1 4.32Å; L680-V926 HydrophobicContact CB-CG2 4.42Å; L680-V926 HydrophobicContact CD2-CG2 4.19Å; L680-V926 WeakPolarHBondContact O-CG2 3.47Å; I683-V926 HydrophobicContact CG2-CG2 4.38Å; A922-V926 WeakPolarHBondContact O-CG2 3.46Å; A922-V926 PolarHBondContact O-N 3.44Å; T923-V926 PolarHBondContact O-N 3.48Å; V926-N928 VanDerWaalsContact C-N 3.34Å; V926-N928 PolarHBondContact O-N 3.42Å; V926-V929 PolarHBondContact O-N 3.5Å; V926-L930 HydrophobicContact CG1-CD1 3.78Å; V926-L930 HydrophobicContact CG1-CG 4.31Å; V926-L930 WeakPolarHBondContact O-CB 3.49Å; V926-L930 WeakPolarHBondContact O-CG 3.45Å; V926-L930 PolarHBondContact O-N 2.81Å; V926-L954 HydrophobicContact CG1-CD2 4.38Å
927L84.2Confident79.7Confident8 Ų836.9 Ų36.94%0.04218%0.175CC..Hα-helixtrans-63.6-35.4178-66.5173.1000112.9T923 R931 L955 E968 A971 T972 I975T923-L927 HydrophobicContact CG2-CD1 3.9Å; T923-L927 HydrophobicContact CG2-CG 4.42Å; T923-L927 WeakPolarHBondContact O-CB 3.22Å; T923-L927 WeakPolarHBondContact O-CG 3.45Å; T923-L927 PolarHBondContact O-N 2.89Å; L927-R931 WeakPolarHBondContact O-CB 3.25Å; L927-R931 PolarHBondContact O-N 3.15Å; L927-L955 HydrophobicContact CD2-CD2 3.86Å; L927-E968 HydrophobicContact CD1-CB 3.99Å; L927-E968 HydrophobicContact CD1-CG 3.81Å; L927-A971 HydrophobicContact CD1-CB 4.5Å; L927-T972 WeakPolarHBondContact CD1-OG1 3.27Å; L927-T972 HydrophobicContact CD2-CG2 4.33Å; L927-T972 VanDerWaalsContact CD2-OG1 3.31Å; L927-T972 WeakPolarHBondContact CD2-OG1 3.46Å; L927-I975 HydrophobicContact CB-CD1 4.39Å; L927-I975 HydrophobicContact CD2-CD1 3.98Å
928N79.9Confident80.7Confident88 Ų8837.4 Ų37.447%0.47118%0.182SC..Hα-helixtrans-67.8-40.6174.8-84.1-58.2000112.8N924 R925 V926 H932N924-N928 VanDerWaalsContact O-CB 3.31Å; N924-N928 WeakPolarHBondContact O-CB 3.25Å; N924-N928 PolarHBondContact O-N 3.36Å; N924-N928 PolarHBondContact O-ND2 3.05Å; R925-N928 PolarHBondContact O-N 2.9Å; V926-N928 VanDerWaalsContact C-N 3.34Å; V926-N928 PolarHBondContact O-N 3.42Å; N928-H932 PolarHBondContact O-N 3.11Å; N928-H932 VanDerWaalsContact O-N 3.13Å
929V85.2Confident81.3Confident0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-66.3-49.3175.6173.90000110.4L649 L655 L660 L680 R925 V926 R931 H932 W933L649-V929 HydrophobicContact CD1-CG1 4.1Å; L649-V929 HydrophobicContact CD1-CG2 4.11Å; L649-V929 HydrophobicContact CD2-CG1 4.4Å; L649-V929 HydrophobicContact CG-CG1 4.39Å; L649-V929 HydrophobicContact CG-CG2 4.34Å; L655-V929 HydrophobicContact CD2-CG2 3.96Å; L660-V929 HydrophobicContact CD1-CG1 4.37Å; L660-V929 HydrophobicContact CD1-CG2 4.47Å; L680-V929 HydrophobicContact CD1-CG1 3.96Å; L680-V929 HydrophobicContact CD2-CB 4.14Å; L680-V929 HydrophobicContact CD2-CG1 4.07Å; L680-V929 HydrophobicContact CD2-CG2 4.45Å; R925-V929 WeakPolarHBondContact O-CG2 3.34Å; R925-V929 PolarHBondContact O-N 2.83Å; V926-V929 PolarHBondContact O-N 3.5Å; V929-R931 PolarHBondContact O-N 3.38Å; V929-H932 PolarHBondContact O-N 2.84Å; V929-W933 WeakPolarHBondContact O-CB 3.42Å; V929-W933 PolarHBondContact O-N 3.02Å
930L88.6Confident81.9Confident0 Ų034.1 Ų34.10%017%0.172CC..Hα-helixtrans-60.1-44.4177.9-68.7175.3000111.9M677 L680 V926 H932 W933 V934 V951 L954 L955 I975M677-L930 HydrophobicContact CE-CD2 4.37Å; M677-L930 HydrophobicContact SD-CD2 3.78Å; L680-L930 HydrophobicContact CD1-CD2 4.04Å; L680-L930 HydrophobicContact CD1-CG 4.48Å; V926-L930 HydrophobicContact CG1-CD1 3.78Å; V926-L930 HydrophobicContact CG1-CG 4.31Å; V926-L930 WeakPolarHBondContact O-CB 3.49Å; V926-L930 WeakPolarHBondContact O-CG 3.45Å; V926-L930 PolarHBondContact O-N 2.81Å; L930-H932 VanDerWaalsContact C-N 3.32Å; L930-H932 PolarHBondContact O-N 3.44Å; L930-W933 HydrophobicContact CD2-CE3 4.46Å; L930-W933 PolarHBondContact O-N 2.78Å; L930-V934 WeakPolarHBondContact O-CG2 3.12Å; L930-V934 PolarHBondContact O-N 3.46Å; L930-V951 HydrophobicContact CD2-CG1 4.17Å; L930-V951 HydrophobicContact CD2-CG2 4.11Å; L930-L954 HydrophobicContact CD1-CD2 4.24Å; L930-L955 HydrophobicContact CD1-CD2 4.09Å; L930-I975 HydrophobicContact CB-CD1 4.45Å
931R85.6Confident82.6Confident152 Ų15232.3 Ų32.357%0.57417%0.165SC*.Hα-helixtrans-59.1-41.5176.4-178174.8176.3-90.3-3.7112.3L927 V929 S935 I975L927-R931 WeakPolarHBondContact O-CB 3.25Å; L927-R931 PolarHBondContact O-N 3.15Å; V929-R931 PolarHBondContact O-N 3.38Å; R931-S935 VanDerWaalsContact O-CB 3.25Å; R931-S935 WeakPolarHBondContact O-CB 3.32Å; R931-S935 PolarHBondContact O-N 3.03Å; R931-S935 PolarHBondContact O-OG 2.92Å; R931-I975 HydrophobicContact CB-CD1 3.9Å; R931-I975 HydrophobicContact CB-CG1 3.98Å; R931-I975 HydrophobicContact CG-CG1 4.4Å
932H83Confident83.2Confident37 Ų3736.3 Ų36.317%0.17118%0.179CC..Hα-helixtrans-70.7-41.2176.7-169.4101.8000111.5L660 N661 N928 V929 L930 K936L660-H932 HydrophobicContact CD2-CB 3.73Å; L660-H932 VanDerWaalsContact CD2-CG 3.46Å; N661-H932 PolarHBondContact OD1-CE1 3.27Å; N661-H932 PolarHBondContact OD1-NE2 3.06Å; N928-H932 PolarHBondContact O-N 3.11Å; N928-H932 VanDerWaalsContact O-N 3.13Å; V929-H932 PolarHBondContact O-N 2.84Å; L930-H932 VanDerWaalsContact C-N 3.32Å; L930-H932 PolarHBondContact O-N 3.44Å; H932-K936 VanDerWaalsContact O-CB 3.31Å; H932-K936 WeakPolarHBondContact O-CB 3.33Å; H932-K936 PolarHBondContact O-N 2.87Å
933W90.8Very high83.1Confident0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-58-58177-158.7-15.3000110.3L664 Y667 A673 V676 M677 L680 V929 L930 S935 H937 D940 F941 L947L664-W933 HydrophobicContact CD1-CB 4.26Å; L664-W933 HydrophobicContact CD1-CG 4.41Å; L664-W933 HydrophobicContact CD2-CB 4.41Å; L664-W933 HydrophobicContact CD2-CD2 3.75Å; L664-W933 HydrophobicContact CD2-CE3 4.29Å; L664-W933 HydrophobicContact CD2-CG 3.8Å; Y667-W933 AromaticContact CE1-CZ2 3.98Å; Y667-W933 HydrophobicContact CE1-CZ2 3.98Å; Y667-W933 AromaticContact CZ-CZ2 3.94Å; A673-W933 HydrophobicContact CB-CH2 4.2Å; A673-W933 HydrophobicContact CB-CZ2 4.18Å; V676-W933 HydrophobicContact CB-CH2 3.89Å; V676-W933 HydrophobicContact CB-CZ3 4.06Å; V676-W933 HydrophobicContact CG1-CE3 4.43Å; V676-W933 HydrophobicContact CG1-CH2 3.84Å; V676-W933 HydrophobicContact CG1-CZ3 3.55Å; M677-W933 HydrophobicContact CG-CH2 4.28Å; M677-W933 HydrophobicContact CG-CZ3 4.14Å; M677-W933 HydrophobicContact SD-CZ3 3.94Å; L680-W933 HydrophobicContact CD1-CE3 4.43Å; L680-W933 HydrophobicContact CD1-CZ3 4.24Å; V929-W933 WeakPolarHBondContact O-CB 3.42Å; V929-W933 PolarHBondContact O-N 3.02Å; L930-W933 HydrophobicContact CD2-CE3 4.46Å; L930-W933 PolarHBondContact O-N 2.78Å; W933-S935 PolarHBondContact O-N 3.15Å; W933-H937 CarbonylContact O-C 3.5Å; W933-H937 WeakPolarHBondContact O-CA 3.44Å; W933-H937 WeakPolarHBondContact O-CB 3.43Å; W933-H937 PolarHBondContact O-N 3.34Å; W933-D940 PolarHBondContact NE1-OD2 3.02Å; W933-F941 HydrophobicContact CB-CE2 4.46Å; W933-F941 HydrophobicContact CB-CZ 4.19Å; W933-F941 AromaticContact CD1-CE2 3.59Å; W933-F941 AromaticContact CD1-CZ 3.51Å; W933-F941 AromaticContact CD2-CZ 3.85Å; W933-F941 HydrophobicContact CD2-CZ 3.85Å; W933-F941 AromaticContact CE2-CZ 3.95Å; W933-F941 HydrophobicContact CG-CE2 4.02Å; W933-F941 AromaticContact CG-CZ 3.61Å; W933-F941 HydrophobicContact CG-CZ 3.61Å; W933-F941 AromaticContact NE1-CZ 3.76Å; W933-L947 HydrophobicContact CH2-CD1 4.3Å; W933-L947 HydrophobicContact CZ2-CD2 4.07Å
934V87.8Confident83.2Confident10 Ų1044 Ų446%0.06122%0.218CC..Hα-helixtrans-60.1-49.5179.5177.50000111.9L930 K936 S938 F941 I975 A978 L979L930-V934 WeakPolarHBondContact O-CG2 3.12Å; L930-V934 PolarHBondContact O-N 3.46Å; V934-K936 VanDerWaalsContact C-N 3.34Å; V934-K936 PolarHBondContact O-N 2.7Å; V934-S938 PolarHBondContact O-N 3.34Å; V934-F941 HydrophobicContact CB-CE2 4.33Å; V934-F941 HydrophobicContact CG2-CD2 4.29Å; V934-F941 HydrophobicContact CG2-CE2 3.82Å; V934-F941 HydrophobicContact CG2-CZ 3.96Å; V934-I975 HydrophobicContact CB-CG2 4.37Å; V934-I975 HydrophobicContact CG2-CG2 3.94Å; V934-A978 HydrophobicContact CG1-CB 4.14Å; V934-L979 HydrophobicContact CG1-CD2 3.87Å; V934-L979 HydrophobicContact CG1-CG 4Å; V934-L979 HydrophobicContact CG2-CD1 4.1Å; V934-L979 HydrophobicContact CG2-CD2 3.92Å; V934-L979 HydrophobicContact CG2-CG 4.12Å
935S82.8Confident83.7Confident59 Ų5943.9 Ų43.941%0.41323%0.228SC..Hα-helixtrans-81.6-2.8-17370.60000116R931 W933R931-S935 VanDerWaalsContact O-CB 3.25Å; R931-S935 WeakPolarHBondContact O-CB 3.32Å; R931-S935 PolarHBondContact O-N 3.03Å; R931-S935 PolarHBondContact O-OG 2.92Å; W933-S935 PolarHBondContact O-N 3.15Å
936K81.3Confident84Confident113 Ų11350.3 Ų50.349%0.49126%0.259SS..Hα-helixtrans-130.1-9.9177.8-61.2-73151.5-107.90114H932 V934 R1201H932-K936 VanDerWaalsContact O-CB 3.31Å; H932-K936 WeakPolarHBondContact O-CB 3.33Å; H932-K936 PolarHBondContact O-N 2.87Å; V934-K936 VanDerWaalsContact C-N 3.34Å; V934-K936 PolarHBondContact O-N 2.7Å; K936-R1201 VanDerWaalsContact O-CZ 3.28Å; K936-R1201 PolarHBondContact O-NH1 2.86Å; K936-R1201 PolarHBondContact O-NH2 3.19Å
937H83.8Confident84.1Confident0 Ų050.7 Ų50.70%026%0.26CS..  trans-143.647.9-178.7-51.7-107.2000109.8H665 W933 Q939 D940 Y1031H665-H937 AromaticContact CD2-CE1 3.57Å; H665-H937 AromaticContact CD2-ND1 3.97Å; H665-H937 AromaticContact CE1-CE1 3.69Å; H665-H937 AromaticContact CG-CE1 3.87Å; H665-H937 AromaticContact ND1-CE1 3.94Å; H665-H937 AromaticContact NE2-CE1 3.46Å; H665-H937 PolarHBondContact NE2-CE1 3.31Å; W933-H937 CarbonylContact O-C 3.5Å; W933-H937 WeakPolarHBondContact O-CA 3.44Å; W933-H937 WeakPolarHBondContact O-CB 3.43Å; W933-H937 PolarHBondContact O-N 3.34Å; H937-Q939 PolarHBondContact O-N 3.46Å; H937-D940 VanDerWaalsContact O-CB 3.31Å; H937-D940 WeakPolarHBondContact O-CB 3.34Å; H937-D940 PolarHBondContact O-N 3.42Å; H937-D940 VanDerWaalsContact O-N 3.09Å; H937-Y1031 HydrophobicContact CB-CE1 4.37Å; H937-Y1031 AromaticContact ND1-CE1 3.82Å; H937-Y1031 AromaticContact ND1-CZ 3.47Å; H937-Y1031 PolarHBondContact ND1-OH 2.79Å
938S83Confident84.4Confident51 Ų5152.8 Ų52.836%0.35727%0.269SS..THydrogen-bonded Turntrans-54.3-36.2-179.159.80000112.8V934 D940 F941 E942V934-S938 PolarHBondContact O-N 3.34Å; S938-D940 PolarHBondContact O-N 3.5Å; S938-F941 WeakPolarHBondContact O-CA 3.26Å; S938-F941 PolarHBondContact O-N 3.22Å; S938-E942 WeakPolarHBondContact CB-OE1 3.27Å; S938-E942 PolarHBondContact O-N 3.29Å; S938-E942 VanDerWaalsContact O-N 3.09Å; S938-E942 PolarHBondContact OG-OE1 2.97Å
939Q79.7Confident84.9Confident41 Ų4154.2 Ų54.219%0.19227%0.274CS..Hα-helixtrans-49.5-30.7175.6-69.5179.3-36.800113.6H937 F941 E942 M943H937-Q939 PolarHBondContact O-N 3.46Å; Q939-F941 PolarHBondContact O-N 3.2Å; Q939-E942 VanDerWaalsContact CA-CD 3.49Å; Q939-E942 PolarHBondContact N-OE1 3.33Å; Q939-E942 PolarHBondContact O-N 3.43Å; Q939-M943 WeakPolarHBondContact O-CB 3.3Å; Q939-M943 WeakPolarHBondContact O-CG 3.41Å; Q939-M943 PolarHBondContact O-N 2.64Å
940D84.3Confident85.2Confident2 Ų257 Ų571%0.01129%0.294CS..Hα-helixtrans-62.9-30.3176.6-66.118.2000112.1Y667 R668 W933 H937 S938 N944 L947 Y1031Y667-D940 PolarHBondContact OH-OD2 3.12Å; R668-D940 IonicContact CZ-OD1 3.17Å; R668-D940 IonicContact CZ-OD2 2.77Å; R668-D940 VanDerWaalsContact NH1-CG 3.35Å; R668-D940 IonicContact NH1-OD1 2.92Å; R668-D940 PolarHBondContact NH1-OD1 2.87Å; R668-D940 IonicContact NH1-OD2 3.95Å; R668-D940 PolarHBondContact NH1-OD2 2.89Å; R668-D940 IonicContact NH2-OD1 2.68Å; R668-D940 PolarHBondContact NH2-OD1 2.75Å; R668-D940 IonicContact NH2-OD2 3.82Å; R668-D940 PolarHBondContact NH2-OD2 3.28Å; W933-D940 PolarHBondContact NE1-OD2 3.02Å; H937-D940 VanDerWaalsContact O-CB 3.31Å; H937-D940 WeakPolarHBondContact O-CB 3.34Å; H937-D940 PolarHBondContact O-N 3.42Å; H937-D940 VanDerWaalsContact O-N 3.09Å; S938-D940 PolarHBondContact O-N 3.5Å; D940-N944 WeakPolarHBondContact O-CB 3.34Å; D940-L947 HydrophobicContact CB-CD2 4.21Å; D940-Y1031 PolarHBondContact OD1-OH 2.77Å; D940-Y1031 PolarHBondContact OD2-OH 3.3Å
941F86.9Confident85.4Confident7 Ų757 Ų573%0.03129%0.294CS..Hα-helixtrans-100.7-22.4-178.3-49.2-77.9000112.4W933 V934 S938 Q939 L947 K948 V951 L979W933-F941 HydrophobicContact CB-CE2 4.46Å; W933-F941 HydrophobicContact CB-CZ 4.19Å; W933-F941 AromaticContact CD1-CE2 3.59Å; W933-F941 AromaticContact CD1-CZ 3.51Å; W933-F941 AromaticContact CD2-CZ 3.85Å; W933-F941 HydrophobicContact CD2-CZ 3.85Å; W933-F941 AromaticContact CE2-CZ 3.95Å; W933-F941 HydrophobicContact CG-CE2 4.02Å; W933-F941 AromaticContact CG-CZ 3.61Å; W933-F941 HydrophobicContact CG-CZ 3.61Å; W933-F941 AromaticContact NE1-CZ 3.76Å; V934-F941 HydrophobicContact CB-CE2 4.33Å; V934-F941 HydrophobicContact CG2-CD2 4.29Å; V934-F941 HydrophobicContact CG2-CE2 3.82Å; V934-F941 HydrophobicContact CG2-CZ 3.96Å; S938-F941 WeakPolarHBondContact O-CA 3.26Å; S938-F941 PolarHBondContact O-N 3.22Å; Q939-F941 PolarHBondContact O-N 3.2Å; F941-L947 HydrophobicContact CD1-CD2 4.04Å; F941-L947 HydrophobicContact CD1-CG 3.83Å; F941-L947 HydrophobicContact CE1-CD1 4.37Å; F941-L947 HydrophobicContact CE1-CD2 3.82Å; F941-L947 HydrophobicContact CE1-CG 3.7Å; F941-K948 HydrophobicContact CB-CB 4.14Å; F941-K948 HydrophobicContact CB-CG 4.39Å; F941-V951 HydrophobicContact CD1-CG2 4.35Å; F941-V951 HydrophobicContact CE1-CG2 3.69Å; F941-L979 HydrophobicContact CB-CD2 4.05Å; F941-L979 HydrophobicContact CD1-CD2 4.33Å; F941-L979 HydrophobicContact CD2-CD2 4.38Å; F941-L979 HydrophobicContact CG-CD2 3.97Å
942E79.7Confident85.6Confident113 Ų11350.5 Ų50.553%0.52827%0.271SS..Hα-helixtrans-68.5-48.8169-63.8154.9-139.500110.5S938 Q939S938-E942 WeakPolarHBondContact CB-OE1 3.27Å; S938-E942 PolarHBondContact O-N 3.29Å; S938-E942 VanDerWaalsContact O-N 3.09Å; S938-E942 PolarHBondContact OG-OE1 2.97Å; Q939-E942 VanDerWaalsContact CA-CD 3.49Å; Q939-E942 PolarHBondContact N-OE1 3.33Å; Q939-E942 PolarHBondContact O-N 3.43Å
943M74.4Confident86.1Confident107 Ų10756.2 Ų56.253%0.52729%0.292SS..SBendtrans-79.3-20-178.6-67.1-64.8-162.900113.9Q939 P1030 Y1050Q939-M943 WeakPolarHBondContact O-CB 3.3Å; Q939-M943 WeakPolarHBondContact O-CG 3.41Å; Q939-M943 PolarHBondContact O-N 2.64Å; M943-P1030 HydrophobicContact CE-CB 4.42Å; M943-P1030 HydrophobicContact CE-CG 4.26Å; M943-Y1050 HydrophobicContact CE-CE2 4.16Å
944N83Confident86.2Confident64 Ų6456.5 Ų56.534%0.34229%0.293SS..  trans-129.693.6-176.4-167.7-38.2000112.3D940 E946 L947 K948D940-N944 WeakPolarHBondContact O-CB 3.34Å; N944-E946 VanDerWaalsContact C-N 3.32Å; N944-E946 PolarHBondContact O-N 3.32Å; N944-E946 WeakPolarHBondContact OD1-CB 3.38Å; N944-E946 PolarHBondContact OD1-N 2.8Å; N944-E946 VanDerWaalsContact OD1-N 3.14Å; N944-L947 HydrophobicContact CB-CB 3.94Å; N944-L947 WeakPolarHBondContact O-CB 3.49Å; N944-L947 PolarHBondContact O-N 3.42Å; N944-L947 PolarHBondContact OD1-N 3.39Å; N944-K948 PolarHBondContact O-N 3.1Å
945G85Confident86.4Confident47 Ų4756 Ų5649%0.48529%0.29SS..Hα-helixtrans-61.9-32.917700000114.2K948 M949G945-K948 PolarHBondContact O-N 3.46Å; G945-M949 WeakPolarHBondContact O-CB 3.37Å; G945-M949 WeakPolarHBondContact O-CG 3.06Å; G945-M949 PolarHBondContact O-N 2.9Å
946E88Confident86.8Confident156 Ų15656.7 Ų56.773%0.72929%0.287SS*.Hα-helixtrans-66-40175.9-60.5-173.116400111.3N944 S950N944-E946 VanDerWaalsContact C-N 3.32Å; N944-E946 PolarHBondContact O-N 3.32Å; N944-E946 WeakPolarHBondContact OD1-CB 3.38Å; N944-E946 PolarHBondContact OD1-N 2.8Å; N944-E946 VanDerWaalsContact OD1-N 3.14Å; E946-S950 VanDerWaalsContact O-CB 3.25Å; E946-S950 WeakPolarHBondContact O-CB 3.41Å; E946-S950 PolarHBondContact O-N 3.15Å; E946-S950 PolarHBondContact O-OG 2.85Å
947L89.8Confident87.3Confident9 Ų953.9 Ų53.95%0.04728%0.276CS..Hα-helixtrans-66.8-45.2174.4-178.861.9000111.2A673 M677 W933 D940 F941 N944 M949 S950 V951A673-L947 HydrophobicContact CB-CD1 3.83Å; A673-L947 HydrophobicContact CB-CD2 3.72Å; A673-L947 HydrophobicContact CB-CG 4.32Å; M677-L947 HydrophobicContact CG-CD1 3.48Å; M677-L947 VanDerWaalsContact CG-CD1 3.48Å; M677-L947 HydrophobicContact SD-CD1 4.46Å; W933-L947 HydrophobicContact CH2-CD1 4.3Å; W933-L947 HydrophobicContact CZ2-CD2 4.07Å; D940-L947 HydrophobicContact CB-CD2 4.21Å; F941-L947 HydrophobicContact CD1-CD2 4.04Å; F941-L947 HydrophobicContact CD1-CG 3.83Å; F941-L947 HydrophobicContact CE1-CD1 4.37Å; F941-L947 HydrophobicContact CE1-CD2 3.82Å; F941-L947 HydrophobicContact CE1-CG 3.7Å; N944-L947 HydrophobicContact CB-CB 3.94Å; N944-L947 WeakPolarHBondContact O-CB 3.49Å; N944-L947 PolarHBondContact O-N 3.42Å; N944-L947 PolarHBondContact OD1-N 3.39Å; L947-M949 PolarHBondContact O-N 2.72Å; L947-S950 PolarHBondContact O-N 3.36Å; L947-V951 PolarHBondContact O-N 3Å
948K90.6Very high87.5Confident53 Ų5354 Ų5423%0.2328%0.276CS..Hα-helixtrans-54.8-51.2174.5-175172179.7173.70110.9F941 N944 G945 S950 V951 I952 L979 D982F941-K948 HydrophobicContact CB-CB 4.14Å; F941-K948 HydrophobicContact CB-CG 4.39Å; N944-K948 PolarHBondContact O-N 3.1Å; G945-K948 PolarHBondContact O-N 3.46Å; K948-S950 PolarHBondContact O-N 3.26Å; K948-V951 PolarHBondContact O-N 3.45Å; K948-I952 HydrophobicContact CG-CD1 3.99Å; K948-I952 VanDerWaalsContact O-CG1 3.31Å; K948-I952 WeakPolarHBondContact O-CG1 3.46Å; K948-I952 PolarHBondContact O-N 3.47Å; K948-L979 WeakPolarHBondContact CE-O 3.44Å; K948-L979 HydrophobicContact CG-CD2 4.47Å; K948-L979 PolarHBondContact NZ-O 3.46Å; K948-D982 IonicContact NZ-OD1 3.13Å
949M90.4Very high87.7Confident117 Ų11753.7 Ų53.758%0.57627%0.27SS*.Hα-helixtrans-66.7-35.3177.9-68.2-52.9-58.800113.2G945 L947 I952 Y953G945-M949 WeakPolarHBondContact O-CB 3.37Å; G945-M949 WeakPolarHBondContact O-CG 3.06Å; G945-M949 PolarHBondContact O-N 2.9Å; L947-M949 PolarHBondContact O-N 2.72Å; M949-I952 PolarHBondContact O-N 3.46Å; M949-I952 HydrophobicContact SD-CD1 4.12Å; M949-Y953 WeakPolarHBondContact O-CB 3.21Å; M949-Y953 PolarHBondContact O-N 2.81Å
950S90.8Very high88.1Confident58 Ų5860.4 Ų60.441%0.40629%0.294SS..Hα-helixtrans-65-37.6175.9-63.40000112.6E946 L947 K948 L954E946-S950 VanDerWaalsContact O-CB 3.25Å; E946-S950 WeakPolarHBondContact O-CB 3.41Å; E946-S950 PolarHBondContact O-N 3.15Å; E946-S950 PolarHBondContact O-OG 2.85Å; L947-S950 PolarHBondContact O-N 3.36Å; K948-S950 PolarHBondContact O-N 3.26Å; S950-L954 PolarHBondContact O-N 3.34Å
951V91.8Very high88Confident0 Ų062.5 Ų62.50%031%0.305CS..Hα-helixtrans-70.3-45.7172.8177.20000110.9M677 L930 F941 L947 K948 Y953 L954 L955 L979M677-V951 HydrophobicContact CE-CB 4.31Å; M677-V951 HydrophobicContact CE-CG2 3.6Å; M677-V951 HydrophobicContact SD-CG2 3.58Å; M677-V951 VanDerWaalsContact SD-CG2 3.58Å; L930-V951 HydrophobicContact CD2-CG1 4.17Å; L930-V951 HydrophobicContact CD2-CG2 4.11Å; F941-V951 HydrophobicContact CD1-CG2 4.35Å; F941-V951 HydrophobicContact CE1-CG2 3.69Å; L947-V951 PolarHBondContact O-N 3Å; K948-V951 PolarHBondContact O-N 3.45Å; V951-Y953 VanDerWaalsContact C-N 3.34Å; V951-Y953 PolarHBondContact O-N 3.49Å; V951-L954 PolarHBondContact O-N 3.29Å; V951-L955 HydrophobicContact CG1-CD1 3.68Å; V951-L955 HydrophobicContact CG1-CG 4.07Å; V951-L955 VanDerWaalsContact O-CG 3.29Å; V951-L955 WeakPolarHBondContact O-CG 3.38Å; V951-L955 PolarHBondContact O-N 3.01Å; V951-L979 HydrophobicContact CB-CD1 4.09Å; V951-L979 HydrophobicContact CG1-CD1 3.49Å; V951-L979 VanDerWaalsContact CG1-CD1 3.49Å
952I91.7Very high87.3Confident17 Ų1767.4 Ų67.49%0.08734%0.337CS..Hα-helixtrans-56-48.1177.8-72.2167.4000110.8K948 M949 L954 L955 E956 L976 L979K948-I952 HydrophobicContact CG-CD1 3.99Å; K948-I952 VanDerWaalsContact O-CG1 3.31Å; K948-I952 WeakPolarHBondContact O-CG1 3.46Å; K948-I952 PolarHBondContact O-N 3.47Å; M949-I952 PolarHBondContact O-N 3.46Å; M949-I952 HydrophobicContact SD-CD1 4.12Å; I952-L954 PolarHBondContact O-N 2.88Å; I952-L955 PolarHBondContact O-N 2.96Å; I952-E956 PolarHBondContact O-N 3.49Å; I952-L976 HydrophobicContact CB-CD1 4.33Å; I952-L976 HydrophobicContact CG1-CD1 4.06Å; I952-L976 HydrophobicContact CG2-CD1 3.96Å; I952-L979 HydrophobicContact CD1-CB 4.36Å; I952-L979 HydrophobicContact CG1-CB 4.21Å; I952-L979 HydrophobicContact CG1-CD1 4.21Å
953Y92.6Very high86.9Confident157 Ų15766.6 Ų66.662%0.61634%0.337SS*.Hα-helixtrans-59.2-43.5177.3-178.6-93.2000112.6M949 V951 E956 E957M949-Y953 WeakPolarHBondContact O-CB 3.21Å; M949-Y953 PolarHBondContact O-N 2.81Å; V951-Y953 VanDerWaalsContact C-N 3.34Å; V951-Y953 PolarHBondContact O-N 3.49Å; Y953-E956 PolarHBondContact O-N 2.97Å; Y953-E957 WeakPolarHBondContact O-CB 3.36Å; Y953-E957 PolarHBondContact O-N 3.5Å
954L92.6Very high87Confident5 Ų561.9 Ų61.93%0.02631%0.314CS..Hα-helixtrans-65.6-39.4176.7-177.962.5000112.1M677 A681 Y684 V926 L930 S950 V951 I952 E957 V958M677-L954 HydrophobicContact CE-CB 4.43Å; M677-L954 HydrophobicContact CE-CD2 3.77Å; A681-L954 HydrophobicContact CB-CD1 3.97Å; A681-L954 HydrophobicContact CB-CD2 4.14Å; Y684-L954 HydrophobicContact CD1-CD1 4.02Å; V926-L954 HydrophobicContact CG1-CD2 4.38Å; L930-L954 HydrophobicContact CD1-CD2 4.24Å; S950-L954 PolarHBondContact O-N 3.34Å; V951-L954 PolarHBondContact O-N 3.29Å; I952-L954 PolarHBondContact O-N 2.88Å; L954-E957 PolarHBondContact O-N 3.21Å; L954-V958 VanDerWaalsContact O-CG2 3.25Å; L954-V958 WeakPolarHBondContact O-CG2 3.44Å; L954-V958 PolarHBondContact O-N 3.36Å
955L92.5Very high86.4Confident0 Ų062.7 Ų62.70%032%0.318CS..Hα-helixtrans-68.9-37.2176.6-65.7170.9000111.8L927 L930 V951 I952 V958 L959 T972 I975 L976 L979L927-L955 HydrophobicContact CD2-CD2 3.86Å; L930-L955 HydrophobicContact CD1-CD2 4.09Å; V951-L955 HydrophobicContact CG1-CD1 3.68Å; V951-L955 HydrophobicContact CG1-CG 4.07Å; V951-L955 VanDerWaalsContact O-CG 3.29Å; V951-L955 WeakPolarHBondContact O-CG 3.38Å; V951-L955 PolarHBondContact O-N 3.01Å; I952-L955 PolarHBondContact O-N 2.96Å; L955-V958 PolarHBondContact O-N 2.97Å; L955-L959 WeakPolarHBondContact O-CG 3.31Å; L955-L959 PolarHBondContact O-N 3.09Å; L955-T972 HydrophobicContact CB-CG2 3.84Å; L955-T972 HydrophobicContact CD2-CG2 3.71Å; L955-T972 HydrophobicContact CG-CG2 4.36Å; L955-T972 VanDerWaalsContact O-CG2 3.26Å; L955-T972 WeakPolarHBondContact O-CG2 3.46Å; L955-I975 HydrophobicContact CD1-CB 4.03Å; L955-I975 HydrophobicContact CD1-CG2 3.66Å; L955-I975 HydrophobicContact CD2-CB 4.35Å; L955-I975 HydrophobicContact CD2-CD1 4.35Å; L955-I975 HydrophobicContact CD2-CG2 4.36Å; L955-L976 HydrophobicContact CD1-CB 4.29Å; L955-L979 HydrophobicContact CD1-CD1 3.94Å
956E91.6Very high85.3Confident74 Ų7465.4 Ų65.435%0.34633%0.327SS..Hα-helixtrans-63.4-41.6170.5-81.7-167.6-14600112.3I952 Y953 V958 L959 R960I952-E956 PolarHBondContact O-N 3.49Å; Y953-E956 PolarHBondContact O-N 2.97Å; E956-V958 VanDerWaalsContact C-N 3.33Å; E956-L959 PolarHBondContact O-N 2.94Å; E956-R960 WeakPolarHBondContact O-CD 3.27Å; E956-R960 VanDerWaalsContact O-CG 3.25Å; E956-R960 WeakPolarHBondContact O-CG 3.44Å; E956-R960 PolarHBondContact O-N 2.77Å; E956-R960 VanDerWaalsContact O-N 3.09Å; E956-R960 IonicContact OE2-CZ 2.67Å; E956-R960 IonicContact OE2-NH2 2.77Å; E956-R960 PolarHBondContact OE2-NH2 3.24Å
957E90.5Very high83.9Confident54 Ų5462.8 Ų62.825%0.25232%0.315SS..Hα-helixtrans-62.7-40.9175.9-169.3178.8171.800111.3K685 Y953 L954 R960K685-E957 WeakPolarHBondContact CE-OE2 3.48Å; K685-E957 IonicContact NZ-OE1 3.26Å; K685-E957 PolarHBondContact NZ-OE1 3.25Å; K685-E957 IonicContact NZ-OE2 3.88Å; K685-E957 PolarHBondContact NZ-OE2 3.11Å; Y953-E957 WeakPolarHBondContact O-CB 3.36Å; Y953-E957 PolarHBondContact O-N 3.5Å; L954-E957 PolarHBondContact O-N 3.21Å; E957-R960 PolarHBondContact O-N 2.88Å
958V88.8Confident83.2Confident2 Ų262.5 Ų62.51%0.01231%0.313CS..Hα-helixtrans-61.1-43.3171.2173.10000111.4Y684 T923 L954 L955 E956 R960 D961 L964 T972Y684-V958 HydrophobicContact CD1-CG2 4.13Å; Y684-V958 HydrophobicContact CD2-CG2 4.23Å; Y684-V958 HydrophobicContact CE1-CG2 3.72Å; Y684-V958 HydrophobicContact CE2-CG2 3.84Å; Y684-V958 HydrophobicContact CG-CG2 4.38Å; T923-V958 HydrophobicContact CG2-CG1 4.49Å; L954-V958 VanDerWaalsContact O-CG2 3.25Å; L954-V958 WeakPolarHBondContact O-CG2 3.44Å; L954-V958 PolarHBondContact O-N 3.36Å; L955-V958 PolarHBondContact O-N 2.97Å; E956-V958 VanDerWaalsContact C-N 3.33Å; V958-R960 PolarHBondContact O-N 3.42Å; V958-D961 WeakPolarHBondContact O-CB 3.42Å; V958-D961 PolarHBondContact O-N 3.23Å; V958-L964 HydrophobicContact CG1-CD1 3.59Å; V958-L964 HydrophobicContact CG1-CD2 3.96Å; V958-L964 HydrophobicContact CG1-CG 4.45Å; V958-L964 WeakPolarHBondContact O-CD2 3.45Å; V958-T972 HydrophobicContact CB-CG2 4Å; V958-T972 HydrophobicContact CG1-CG2 3.82Å; V958-T972 WeakPolarHBondContact CG1-OG1 3.38Å
959L87.8Confident82.6Confident45 Ų4564.3 Ų64.324%0.23632%0.318CS..Hα-helixtrans-67.1-21.7178.5-73.1174.9000113.9L955 E956 D961 L964 R969 T972 L976L955-L959 WeakPolarHBondContact O-CG 3.31Å; L955-L959 PolarHBondContact O-N 3.09Å; E956-L959 PolarHBondContact O-N 2.94Å; L959-D961 VanDerWaalsContact C-N 3.34Å; L959-L964 HydrophobicContact CD2-CD2 4.48Å; L959-R969 HydrophobicContact CD2-CG 3.86Å; L959-R969 PolarHBondContact O-NH1 3.09Å; L959-T972 HydrophobicContact CD1-CG2 4.36Å; L959-T972 HydrophobicContact CD2-CG2 3.95Å; L959-T972 HydrophobicContact CG-CG2 3.7Å; L959-L976 HydrophobicContact CD1-CD2 3.83Å
960R86.7Confident81.9Confident182 Ų18265.5 Ų65.569%0.68732%0.32SS*.THydrogen-bonded Turntrans-80.7-11.9176.9-67.8163-163-127.97.4113.4E956 E957 V958E956-R960 WeakPolarHBondContact O-CD 3.27Å; E956-R960 VanDerWaalsContact O-CG 3.25Å; E956-R960 WeakPolarHBondContact O-CG 3.44Å; E956-R960 PolarHBondContact O-N 2.77Å; E956-R960 VanDerWaalsContact O-N 3.09Å; E956-R960 IonicContact OE2-CZ 2.67Å; E956-R960 IonicContact OE2-NH2 2.77Å; E956-R960 PolarHBondContact OE2-NH2 3.24Å; E957-R960 PolarHBondContact O-N 2.88Å; V958-R960 PolarHBondContact O-N 3.42Å
961D82.5Confident81Confident45 Ų4564.2 Ų64.224%0.24131%0.314CS..  trans-66.7124.5174.8-175.6-14.1000110.5Y684 V958 L959 D963 L964 R969Y684-D961 PolarHBondContact OH-OD2 3.09Å; V958-D961 WeakPolarHBondContact O-CB 3.42Å; V958-D961 PolarHBondContact O-N 3.23Å; L959-D961 VanDerWaalsContact C-N 3.34Å; D961-D963 PolarHBondContact OD1-N 3.15Å; D961-L964 HydrophobicContact CB-CB 4.15Å; D961-R969 PolarHBondContact O-NH2 3.3Å
962P71.8Confident80.7Confident110 Ų11064.2 Ų64.271%0.71431%0.314SS*.THydrogen-bonded Turntrans-70.4-29.9176.829.6-35.5000113.3L964P962-L964 VanDerWaalsContact C-N 3.27Å; P962-L964 PolarHBondContact O-N 2.88Å
963D72.8Confident80.4Confident96 Ų9665.4 Ų65.451%0.51333%0.326SS..THydrogen-bonded Turntrans-85.5-0.7-173.4-61.3-23.7000112.4D961 L965D961-D963 PolarHBondContact OD1-N 3.15Å; D963-L965 PolarHBondContact O-N 2.69Å; D963-L965 VanDerWaalsContact O-N 3.17Å
964L75.1Confident80Confident8 Ų862.6 Ų62.64%0.04232%0.321CS..  trans-70.5105.9-177.6-165.788.7000112.5T923 V958 L959 D961 P962 E968 R969T923-L964 HydrophobicContact CG2-CD1 4Å; V958-L964 HydrophobicContact CG1-CD1 3.59Å; V958-L964 HydrophobicContact CG1-CD2 3.96Å; V958-L964 HydrophobicContact CG1-CG 4.45Å; V958-L964 WeakPolarHBondContact O-CD2 3.45Å; L959-L964 HydrophobicContact CD2-CD2 4.48Å; D961-L964 HydrophobicContact CB-CB 4.15Å; P962-L964 VanDerWaalsContact C-N 3.27Å; P962-L964 PolarHBondContact O-N 2.88Å; L964-E968 HydrophobicContact CD1-CB 3.86Å; L964-E968 VanDerWaalsContact CD1-OE2 3.26Å; L964-E968 WeakPolarHBondContact CD1-OE2 3.34Å; L964-E968 HydrophobicContact CD2-CB 4.35Å; L964-E968 HydrophobicContact CG-CB 3.87Å; L964-R969 HydrophobicContact CD2-CB 3.84Å; L964-R969 HydrophobicContact CD2-CG 4.22Å; L964-R969 PolarHBondContact O-NH2 3.21Å
965L70.1Confident79.7Confident81 Ų8162.6 Ų62.642%0.42432%0.322SS..  trans-58151.2-179.5-63-174.2000113.1D963 Q967 E968 R969D963-L965 PolarHBondContact O-N 2.69Å; D963-L965 VanDerWaalsContact O-N 3.17Å; L965-Q967 VanDerWaalsContact C-N 3.26Å; L965-Q967 PolarHBondContact O-N 2.83Å; L965-E968 PolarHBondContact O-N 3.39Å; L965-R969 PolarHBondContact O-N 2.99Å
966P63.8Low79.6Confident105 Ų10564.1 Ų64.168%0.68233%0.33SS*.Hα-helixtrans-52.8-33.7-174.8-3036000115.9R969 K970P966-R969 PolarHBondContact O-N 3.34Å; P966-K970 VanDerWaalsContact O-CB 3.26Å; P966-K970 WeakPolarHBondContact O-CB 3.23Å; P966-K970 PolarHBondContact O-N 3.13Å
967Q57.4Low79.3Confident100 Ų10063.2 Ų63.247%0.46733%0.331SS..Hα-helixtrans-67.5-38.6178.1-174.8176.83.600112.7L965 A971L965-Q967 VanDerWaalsContact C-N 3.26Å; L965-Q967 PolarHBondContact O-N 2.83Å; Q967-A971 WeakPolarHBondContact O-CB 3.4Å; Q967-A971 PolarHBondContact O-N 3.36Å
968E74.7Confident79Confident4 Ų463.2 Ų63.22%0.01934%0.34CS..Hα-helixtrans-73.7-43.1173.4-81.7174.3177.400110.7R920 T923 N924 L927 L964 L965 K970 A971 T972R920-E968 IonicContact CZ-OE1 3.86Å; R920-E968 IonicContact CZ-OE2 2.72Å; R920-E968 VanDerWaalsContact CZ-OE2 3.26Å; R920-E968 IonicContact NE-OE1 2.65Å; R920-E968 IonicContact NH1-OE1 2.72Å; R920-E968 PolarHBondContact NH1-OE1 3.22Å; R920-E968 IonicContact NH1-OE2 2.64Å; R920-E968 PolarHBondContact NH1-OE2 3.5Å; R920-E968 VanDerWaalsContact NH2-CG 3.31Å; R920-E968 IonicContact NH2-OE1 2.7Å; R920-E968 PolarHBondContact NH2-OE1 3.47Å; R920-E968 IonicContact NH2-OE2 3.15Å; R920-E968 PolarHBondContact NH2-OE2 2.86Å; T923-E968 VanDerWaalsContact CG2-CD 3.47Å; T923-E968 HydrophobicContact CG2-CG 4.36Å; N924-E968 VanDerWaalsContact CG-OE1 3.24Å; N924-E968 PolarHBondContact ND2-OE1 2.87Å; L927-E968 HydrophobicContact CD1-CB 3.99Å; L927-E968 HydrophobicContact CD1-CG 3.81Å; L964-E968 HydrophobicContact CD1-CB 3.86Å; L964-E968 VanDerWaalsContact CD1-OE2 3.26Å; L964-E968 WeakPolarHBondContact CD1-OE2 3.34Å; L964-E968 HydrophobicContact CD2-CB 4.35Å; L964-E968 HydrophobicContact CG-CB 3.87Å; L965-E968 PolarHBondContact O-N 3.39Å; E968-K970 PolarHBondContact O-N 3.5Å; E968-A971 CarbonylContact O-C 3.52Å; E968-A971 WeakPolarHBondContact O-CA 3.47Å; E968-A971 PolarHBondContact O-N 3.06Å; E968-T972 WeakPolarHBondContact O-CB 3.27Å; E968-T972 PolarHBondContact O-N 2.94Å; E968-T972 PolarHBondContact O-OG1 2.92Å
969R79.2Confident78.8Confident90 Ų9063.4 Ų63.434%0.3434%0.341SS..Hα-helixtrans-53.1-42.6174.4-161.8169.8-67.3-80.72.1111.4L959 D961 L964 L965 P966 A973L959-R969 HydrophobicContact CD2-CG 3.86Å; L959-R969 PolarHBondContact O-NH1 3.09Å; D961-R969 PolarHBondContact O-NH2 3.3Å; L964-R969 HydrophobicContact CD2-CB 3.84Å; L964-R969 HydrophobicContact CD2-CG 4.22Å; L964-R969 PolarHBondContact O-NH2 3.21Å; L965-R969 PolarHBondContact O-N 2.99Å; P966-R969 PolarHBondContact O-N 3.34Å; R969-A973 WeakPolarHBondContact O-CB 3.29Å; R969-A973 PolarHBondContact O-N 2.8Å
970K75.8Confident78.3Confident142 Ų14264.8 Ų64.862%0.61736%0.355SS*.Hα-helixtrans-67.7-41.8172.5-173.9172.6-176.8173.90113.1P966 E968 N974P966-K970 VanDerWaalsContact O-CB 3.26Å; P966-K970 WeakPolarHBondContact O-CB 3.23Å; P966-K970 PolarHBondContact O-N 3.13Å; E968-K970 PolarHBondContact O-N 3.5Å; K970-N974 WeakPolarHBondContact O-CB 3.5Å; K970-N974 PolarHBondContact O-N 2.82Å; K970-N974 PolarHBondContact O-ND2 2.93Å; K970-N974 PolarHBondContact O-OD1 2.78Å
971A71.2Confident77.2Confident32 Ų3262.5 Ų62.526%0.26435%0.352SS..Hα-helixtrans-63.8-47.5176.900000111.9L927 Q967 E968 N974 I975L927-A971 HydrophobicContact CD1-CB 4.5Å; Q967-A971 WeakPolarHBondContact O-CB 3.4Å; Q967-A971 PolarHBondContact O-N 3.36Å; E968-A971 CarbonylContact O-C 3.52Å; E968-A971 WeakPolarHBondContact O-CA 3.47Å; E968-A971 PolarHBondContact O-N 3.06Å; A971-N974 PolarHBondContact O-N 3.1Å; A971-I975 VanDerWaalsContact O-CG1 3.28Å; A971-I975 WeakPolarHBondContact O-CG1 3.3Å; A971-I975 PolarHBondContact O-N 3.14Å
972T86.2Confident75.8Confident0 Ų066.7 Ų66.70%037%0.374CS..Hα-helixtrans-60.3-47.6176.3-51.20000111L927 L955 V958 L959 E968 N974 I975 L976L927-T972 WeakPolarHBondContact CD1-OG1 3.27Å; L927-T972 HydrophobicContact CD2-CG2 4.33Å; L927-T972 VanDerWaalsContact CD2-OG1 3.31Å; L927-T972 WeakPolarHBondContact CD2-OG1 3.46Å; L955-T972 HydrophobicContact CB-CG2 3.84Å; L955-T972 HydrophobicContact CD2-CG2 3.71Å; L955-T972 HydrophobicContact CG-CG2 4.36Å; L955-T972 VanDerWaalsContact O-CG2 3.26Å; L955-T972 WeakPolarHBondContact O-CG2 3.46Å; V958-T972 HydrophobicContact CB-CG2 4Å; V958-T972 HydrophobicContact CG1-CG2 3.82Å; V958-T972 WeakPolarHBondContact CG1-OG1 3.38Å; L959-T972 HydrophobicContact CD1-CG2 4.36Å; L959-T972 HydrophobicContact CD2-CG2 3.95Å; L959-T972 HydrophobicContact CG-CG2 3.7Å; E968-T972 WeakPolarHBondContact O-CB 3.27Å; E968-T972 PolarHBondContact O-N 2.94Å; E968-T972 PolarHBondContact O-OG1 2.92Å; T972-N974 VanDerWaalsContact C-N 3.34Å; T972-N974 PolarHBondContact O-N 2.8Å; T972-I975 PolarHBondContact O-N 3.28Å; T972-L976 WeakPolarHBondContact O-CB 3.38Å; T972-L976 PolarHBondContact O-N 3.03Å
973A84.7Confident74.8Confident42 Ų4268.8 Ų68.835%0.34738%0.375SS..Hα-helixtrans-62-37.3175.300000113R969 L976 S977R969-A973 WeakPolarHBondContact O-CB 3.29Å; R969-A973 PolarHBondContact O-N 2.8Å; A973-L976 PolarHBondContact O-N 2.91Å; A973-S977 VanDerWaalsContact O-CB 3.31Å; A973-S977 WeakPolarHBondContact O-CB 3.43Å; A973-S977 PolarHBondContact O-N 3.13Å
974N84.4Confident73.4Confident97 Ų9773.5 Ų73.552%0.51939%0.393SS..Hα-helixtrans-67.2-39.9175.5-71.7-11.8000112.5K970 A971 T972 A978K970-N974 WeakPolarHBondContact O-CB 3.5Å; K970-N974 PolarHBondContact O-N 2.82Å; K970-N974 PolarHBondContact O-ND2 2.93Å; K970-N974 PolarHBondContact O-OD1 2.78Å; A971-N974 PolarHBondContact O-N 3.1Å; T972-N974 VanDerWaalsContact C-N 3.34Å; T972-N974 PolarHBondContact O-N 2.8Å; N974-A978 WeakPolarHBondContact O-CB 3.39Å; N974-A978 PolarHBondContact O-N 3.29Å; N974-A978 VanDerWaalsContact O-N 3.08Å
975I87Confident71.9Confident6 Ų678.5 Ų78.53%0.03142%0.417CS..Hα-helixtrans-69.2-41.6176.6-57.7158.9000109.8L927 L930 R931 V934 L955 A971 T972 A978 L979L927-I975 HydrophobicContact CB-CD1 4.39Å; L927-I975 HydrophobicContact CD2-CD1 3.98Å; L930-I975 HydrophobicContact CB-CD1 4.45Å; R931-I975 HydrophobicContact CB-CD1 3.9Å; R931-I975 HydrophobicContact CB-CG1 3.98Å; R931-I975 HydrophobicContact CG-CG1 4.4Å; V934-I975 HydrophobicContact CB-CG2 4.37Å; V934-I975 HydrophobicContact CG2-CG2 3.94Å; L955-I975 HydrophobicContact CD1-CB 4.03Å; L955-I975 HydrophobicContact CD1-CG2 3.66Å; L955-I975 HydrophobicContact CD2-CB 4.35Å; L955-I975 HydrophobicContact CD2-CD1 4.35Å; L955-I975 HydrophobicContact CD2-CG2 4.36Å; A971-I975 VanDerWaalsContact O-CG1 3.28Å; A971-I975 WeakPolarHBondContact O-CG1 3.3Å; A971-I975 PolarHBondContact O-N 3.14Å; T972-I975 PolarHBondContact O-N 3.28Å; I975-A978 PolarHBondContact O-N 3.26Å; I975-L979 HydrophobicContact CG2-CD1 4.37Å; I975-L979 PolarHBondContact O-N 2.59Å
976L88.8Confident70.5Confident32 Ų3280.9 Ų80.917%0.16843%0.43CS..Hα-helixtrans-61.3-46175.6-175.961.7000110.9I952 L955 L959 T972 A973 A978 L979 S980I952-L976 HydrophobicContact CB-CD1 4.33Å; I952-L976 HydrophobicContact CG1-CD1 4.06Å; I952-L976 HydrophobicContact CG2-CD1 3.96Å; L955-L976 HydrophobicContact CD1-CB 4.29Å; L959-L976 HydrophobicContact CD1-CD2 3.83Å; T972-L976 WeakPolarHBondContact O-CB 3.38Å; T972-L976 PolarHBondContact O-N 3.03Å; A973-L976 PolarHBondContact O-N 2.91Å; L976-A978 VanDerWaalsContact C-N 3.26Å; L976-A978 PolarHBondContact O-N 3.07Å; L976-L979 PolarHBondContact O-N 2.77Å; L976-S980 WeakPolarHBondContact O-CB 3.35Å; L976-S980 PolarHBondContact O-N 3.27Å; L976-S980 PolarHBondContact O-OG 2.8Å
977S86.4Confident69.7Low54 Ų5480.8 Ų80.838%0.37844%0.438SS..Hα-helixtrans-59.1-35.4173.8-172.70000112.8A973 L979 Q981A973-S977 VanDerWaalsContact O-CB 3.31Å; A973-S977 WeakPolarHBondContact O-CB 3.43Å; A973-S977 PolarHBondContact O-N 3.13Å; S977-L979 VanDerWaalsContact C-N 3.26Å; S977-L979 PolarHBondContact O-N 2.87Å; S977-Q981 VanDerWaalsContact O-CB 3.31Å; S977-Q981 WeakPolarHBondContact O-CB 3.43Å; S977-Q981 VanDerWaalsContact O-CG 3.24Å; S977-Q981 WeakPolarHBondContact O-CG 3.19Å; S977-Q981 PolarHBondContact O-N 3.11Å
978A84.3Confident69.6Low54 Ų5479.7 Ų79.745%0.44643%0.433SS..Hα-helixtrans-77.1-7.5176.800000114.1V934 N974 I975 L976V934-A978 HydrophobicContact CG1-CB 4.14Å; N974-A978 WeakPolarHBondContact O-CB 3.39Å; N974-A978 PolarHBondContact O-N 3.29Å; N974-A978 VanDerWaalsContact O-N 3.08Å; I975-A978 PolarHBondContact O-N 3.26Å; L976-A978 VanDerWaalsContact C-N 3.26Å; L976-A978 PolarHBondContact O-N 3.07Å
979L83.6Confident68.9Low6 Ų682.3 Ų82.33%0.03145%0.447CS..Hα-helixtrans-105-32.3171.8-70.8168.7000112.1V934 F941 K948 V951 I952 L955 I975 L976 S977V934-L979 HydrophobicContact CG1-CD2 3.87Å; V934-L979 HydrophobicContact CG1-CG 4Å; V934-L979 HydrophobicContact CG2-CD1 4.1Å; V934-L979 HydrophobicContact CG2-CD2 3.92Å; V934-L979 HydrophobicContact CG2-CG 4.12Å; F941-L979 HydrophobicContact CB-CD2 4.05Å; F941-L979 HydrophobicContact CD1-CD2 4.33Å; F941-L979 HydrophobicContact CD2-CD2 4.38Å; F941-L979 HydrophobicContact CG-CD2 3.97Å; K948-L979 WeakPolarHBondContact CE-O 3.44Å; K948-L979 HydrophobicContact CG-CD2 4.47Å; K948-L979 PolarHBondContact NZ-O 3.46Å; V951-L979 HydrophobicContact CB-CD1 4.09Å; V951-L979 HydrophobicContact CG1-CD1 3.49Å; V951-L979 VanDerWaalsContact CG1-CD1 3.49Å; I952-L979 HydrophobicContact CD1-CB 4.36Å; I952-L979 HydrophobicContact CG1-CB 4.21Å; I952-L979 HydrophobicContact CG1-CD1 4.21Å; L955-L979 HydrophobicContact CD1-CD1 3.94Å; I975-L979 HydrophobicContact CG2-CD1 4.37Å; I975-L979 PolarHBondContact O-N 2.59Å; L976-L979 PolarHBondContact O-N 2.77Å; S977-L979 VanDerWaalsContact C-N 3.26Å; S977-L979 PolarHBondContact O-N 2.87Å
980S77Confident68.1Low75 Ų7583.2 Ų83.252%0.52445%0.45SS..Hα-helixtrans-91.2-10.9-179.3-59.70000113.9L976 D982L976-S980 WeakPolarHBondContact O-CB 3.35Å; L976-S980 PolarHBondContact O-N 3.27Å; L976-S980 PolarHBondContact O-OG 2.8Å; S980-D982 PolarHBondContact O-N 2.93Å
981Q65.4Low67.4Low133 Ų13377 Ų7762%0.62142%0.423SS*.  trans-71105155-78171.8-17.600107.5S977S977-Q981 VanDerWaalsContact O-CB 3.31Å; S977-Q981 WeakPolarHBondContact O-CB 3.43Å; S977-Q981 VanDerWaalsContact O-CG 3.24Å; S977-Q981 WeakPolarHBondContact O-CG 3.19Å; S977-Q981 PolarHBondContact O-N 3.11Å
982D51.7Low66.9Low133 Ų13378.9 Ų78.971%0.71143%0.427SS*.  trans-57.3133.8145.1-64.4-35.7000106.5K948 S980 Q984K948-D982 IonicContact NZ-OD1 3.13Å; S980-D982 PolarHBondContact O-N 2.93Å; D982-Q984 PolarHBondContact O-N 3.2Å
983E51.7Low65.8Low155 Ų15581.2 Ų81.272%0.72444%0.439SS*.  trans-60.5115.7179-68.4-164.914200108.4E985E983-E985 WeakPolarHBondContact O-CG 3.2Å; E983-E985 PolarHBondContact O-N 2.71Å
984Q43.9Very low64.7Low194 Ų19479.6 Ų79.691%0.90743%0.425SS*.  trans-70.287.4166.9-176.9173.63.400106.4D982 D986D982-Q984 PolarHBondContact O-N 3.2Å; Q984-D986 PolarHBondContact O-N 3.32Å
985E42Very low63.4Low113 Ų11379.5 Ų79.553%0.52842%0.424SS..  trans-48106.6-157.7-61.3-175.917700112.5E983 A987 R990E983-E985 WeakPolarHBondContact O-CG 3.2Å; E983-E985 PolarHBondContact O-N 2.71Å; E985-A987 PolarHBondContact O-N 3.34Å; E985-A987 VanDerWaalsContact O-N 3.07Å; E985-R990 VanDerWaalsContact CD-NH2 3.32Å; E985-R990 IonicContact OE1-CZ 3.71Å; E985-R990 IonicContact OE1-NH1 3.87Å; E985-R990 PolarHBondContact OE1-NH1 2.95Å; E985-R990 IonicContact OE1-NH2 3.74Å; E985-R990 PolarHBondContact OE1-NH2 3.39Å; E985-R990 IonicContact OE2-CZ 2.69Å; E985-R990 IonicContact OE2-NH1 3.44Å; E985-R990 PolarHBondContact OE2-NH1 3.29Å; E985-R990 IonicContact OE2-NH2 3.01Å
986D40.7Very low62Low131 Ų13186.3 Ų86.370%0.70146%0.455SS*.  trans-60.9112.1173-158.226.1000106.5Q984 Q988Q984-D986 PolarHBondContact O-N 3.32Å; D986-Q988 VanDerWaalsContact O-CB 3.25Å; D986-Q988 WeakPolarHBondContact O-CB 3.45Å; D986-Q988 WeakPolarHBondContact O-CG 3.4Å; D986-Q988 PolarHBondContact O-N 3.05Å; D986-Q988 PolarHBondContact OD2-NE2 3.26Å
987A47.4Very low60.3Low103 Ų10390.3 Ų90.385%0.85147%0.474SS*.SBendtrans-61.885.1-147.800000114.8E985E985-A987 PolarHBondContact O-N 3.34Å; E985-A987 VanDerWaalsContact O-N 3.07Å
988Q56.4Low58.7Low78 Ų7890.1 Ų90.136%0.36448%0.476SS..  trans-130.1109.4-168.8-70.4164.83200109.1D986 R990 R1027D986-Q988 VanDerWaalsContact O-CB 3.25Å; D986-Q988 WeakPolarHBondContact O-CB 3.45Å; D986-Q988 WeakPolarHBondContact O-CG 3.4Å; D986-Q988 PolarHBondContact O-N 3.05Å; D986-Q988 PolarHBondContact OD2-NE2 3.26Å; Q988-R990 PolarHBondContact O-N 3.02Å; Q988-R1027 VanDerWaalsContact OE1-CZ 3.24Å
989L58.9Low57Low59 Ų5995.5 Ų95.531%0.30950%0.497SS..  trans-52.6124.3-174.4-65.7158.7000112.3D993 I994 I1024 H1212L989-D993 HydrophobicContact CD2-CB 4.4Å; L989-I994 HydrophobicContact CB-CD1 4.13Å; L989-I994 HydrophobicContact CB-CG1 4.23Å; L989-I1024 HydrophobicContact CB-CD1 4.44Å; L989-H1212 HydrophobicContact CD1-CB 3.37Å
990R63.6Low55.2Low109 Ų10999.1 Ų99.141%0.41152%0.523SS..  trans-78.2163.6166.1-61.8-168.5174.3101.2-3.9110.4E985 Q988 E992 D993 I994E985-R990 VanDerWaalsContact CD-NH2 3.32Å; E985-R990 IonicContact OE1-CZ 3.71Å; E985-R990 IonicContact OE1-NH1 3.87Å; E985-R990 PolarHBondContact OE1-NH1 2.95Å; E985-R990 IonicContact OE1-NH2 3.74Å; E985-R990 PolarHBondContact OE1-NH2 3.39Å; E985-R990 IonicContact OE2-CZ 2.69Å; E985-R990 IonicContact OE2-NH1 3.44Å; E985-R990 PolarHBondContact OE2-NH1 3.29Å; E985-R990 IonicContact OE2-NH2 3.01Å; Q988-R990 PolarHBondContact O-N 3.02Å; R990-E992 PolarHBondContact O-N 3.09Å; R990-D993 WeakPolarHBondContact CB-OD2 3.45Å; R990-D993 PolarHBondContact N-OD2 2.91Å; R990-D993 PolarHBondContact O-N 3.49Å; R990-I994 PolarHBondContact O-N 3.31Å
991I60.4Low54Low10 Ų10101.8 Ų101.85%0.05154%0.538CS..Hα-helixtrans-63.9-33175.2-44.1164000109.9D993 I994 L995 I1024 V1025 S1028 K1053I991-D993 VanDerWaalsContact C-N 3.34Å; I991-D993 PolarHBondContact O-N 2.93Å; I991-I994 PolarHBondContact O-N 3.49Å; I991-L995 HydrophobicContact CG2-CD1 3.97Å; I991-L995 HydrophobicContact CG2-CG 4.31Å; I991-L995 WeakPolarHBondContact O-CB 3.31Å; I991-L995 VanDerWaalsContact O-CG 3.25Å; I991-L995 WeakPolarHBondContact O-CG 3.34Å; I991-L995 PolarHBondContact O-N 2.73Å; I991-I1024 HydrophobicContact CG1-CG2 3.58Å; I991-V1025 HydrophobicContact CD1-CB 4.4Å; I991-V1025 HydrophobicContact CD1-CG1 4.49Å; I991-V1025 HydrophobicContact CD1-CG2 4.03Å; I991-V1025 HydrophobicContact CG1-CG2 4.2Å; I991-V1025 HydrophobicContact CG2-CG2 4.46Å; I991-S1028 WeakPolarHBondContact CD1-OG 3.46Å; I991-K1053 HydrophobicContact CD1-CD 3.94Å
992E60.8Low53.3Low72 Ų72104 Ų10434%0.33655%0.546SS..Hα-helixtrans-66.1-35.2-180-67.360.1-12600112R990 Q996 K1053R990-E992 PolarHBondContact O-N 3.09Å; E992-Q996 WeakPolarHBondContact O-CG 3.34Å; E992-Q996 PolarHBondContact O-N 3.46Å; E992-Q996 PolarHBondContact O-NE2 3.31Å; E992-K1053 IonicContact OE1-NZ 3.61Å; E992-K1053 PolarHBondContact OE1-NZ 3.06Å
993D63Low53.5Low50 Ų50100.1 Ų100.127%0.26753%0.532SS..Hα-helixtrans-69.2-46.5176.6-51.5-39.1000110.4L989 R990 I991 L995 Q996 M997L989-D993 HydrophobicContact CD2-CB 4.4Å; R990-D993 WeakPolarHBondContact CB-OD2 3.45Å; R990-D993 PolarHBondContact N-OD2 2.91Å; R990-D993 PolarHBondContact O-N 3.49Å; I991-D993 VanDerWaalsContact C-N 3.34Å; I991-D993 PolarHBondContact O-N 2.93Å; D993-L995 VanDerWaalsContact C-N 3.34Å; D993-L995 PolarHBondContact O-N 3.28Å; D993-Q996 PolarHBondContact O-N 3.28Å; D993-M997 HydrophobicContact CB-CE 4.29Å; D993-M997 VanDerWaalsContact O-CG 3.32Å; D993-M997 WeakPolarHBondContact O-CG 3.46Å; D993-M997 PolarHBondContact O-N 2.79Å; D993-M997 VanDerWaalsContact O-N 3.15Å
994I61.5Low54Low8 Ų895.8 Ų95.84%0.04151%0.512CS..Hα-helixtrans-62.7-41.8179.4-67.2173.5000111L989 R990 I991 Q996 M997 L1021 I1024 T1217 M1221L989-I994 HydrophobicContact CB-CD1 4.13Å; L989-I994 HydrophobicContact CB-CG1 4.23Å; R990-I994 PolarHBondContact O-N 3.31Å; I991-I994 PolarHBondContact O-N 3.49Å; I994-Q996 VanDerWaalsContact C-N 3.3Å; I994-Q996 PolarHBondContact O-N 2.64Å; I994-M997 PolarHBondContact O-N 2.7Å; I994-L1021 HydrophobicContact CD1-CD2 4.17Å; I994-L1021 HydrophobicContact CG2-CD2 4.15Å; I994-I1024 HydrophobicContact CD1-CD1 3.58Å; I994-T1217 HydrophobicContact CG2-CG2 3.55Å; I994-M1221 HydrophobicContact CG2-CE 4.42Å; I994-M1221 HydrophobicContact CG2-SD 3.66Å
995L58Low55.2Low95 Ų9590.6 Ų90.650%0.49750%0.496SS..Hα-helixtrans-65.9-30.1177.1-73.8169.2000113.1I991 D993 M1221I991-L995 HydrophobicContact CG2-CD1 3.97Å; I991-L995 HydrophobicContact CG2-CG 4.31Å; I991-L995 WeakPolarHBondContact O-CB 3.31Å; I991-L995 VanDerWaalsContact O-CG 3.25Å; I991-L995 WeakPolarHBondContact O-CG 3.34Å; I991-L995 PolarHBondContact O-N 2.73Å; D993-L995 VanDerWaalsContact C-N 3.34Å; D993-L995 PolarHBondContact O-N 3.28Å; L995-M1221 HydrophobicContact CD2-CE 3.65Å; L995-M1221 HydrophobicContact CG-CE 4.37Å
996Q56.1Low57.2Low149 Ų14985.5 Ų85.570%0.69647%0.472SS*.Hα-helixtrans-81.1-20.7177.4-76.117372.100113.6E992 D993 I994 A998E992-Q996 WeakPolarHBondContact O-CG 3.34Å; E992-Q996 PolarHBondContact O-N 3.46Å; E992-Q996 PolarHBondContact O-NE2 3.31Å; D993-Q996 PolarHBondContact O-N 3.28Å; I994-Q996 VanDerWaalsContact C-N 3.3Å; I994-Q996 PolarHBondContact O-N 2.64Å; Q996-A998 VanDerWaalsContact C-N 3.31Å; Q996-A998 PolarHBondContact O-N 2.83Å
997M53.9Low59.1Low115 Ų11585.2 Ų85.257%0.56747%0.466SS*.THydrogen-bonded Turntrans-868.3-178.2-69.5179.4-165.100114.6D993 I994 D999D993-M997 HydrophobicContact CB-CE 4.29Å; D993-M997 VanDerWaalsContact O-CG 3.32Å; D993-M997 WeakPolarHBondContact O-CG 3.46Å; D993-M997 PolarHBondContact O-N 2.79Å; D993-M997 VanDerWaalsContact O-N 3.15Å; I994-M997 PolarHBondContact O-N 2.7Å; M997-D999 VanDerWaalsContact C-N 3.34Å; M997-D999 PolarHBondContact O-N 3.26Å
998A52.3Low60.8Low50 Ų5084.1 Ų84.141%0.41345%0.452SS..THydrogen-bonded Turntrans-75.5-12.2-173.600000115.5Q996 C1000 Q1218Q996-A998 VanDerWaalsContact C-N 3.31Å; Q996-A998 PolarHBondContact O-N 2.83Å; A998-C1000 PolarHBondContact O-N 2.68Å; A998-Q1218 PolarHBondContact O-NE2 2.64Å
999D48.1Very low62.4Low167 Ų16780.7 Ų80.789%0.89344%0.437SS*.  trans-80.370.5-173.9-78.9-27.2000113.8M997M997-D999 VanDerWaalsContact C-N 3.34Å; M997-D999 PolarHBondContact O-N 3.26Å
1000C47.5Very low63.9Low83 Ų8380 Ų8056%0.56144%0.437SS*.  trans-139.8124.5168.4-160.20000111.9A998 K1002 Q1218A998-C1000 PolarHBondContact O-N 2.68Å; C1000-K1002 VanDerWaalsContact C-N 3.32Å; C1000-K1002 PolarHBondContact O-N 3.22Å; C1000-Q1218 PolarHBondContact O-NE2 2.9Å
1001P50Low65.2Low130 Ų13076 Ų7684%0.84443%0.426SS*.SBendtrans-85.132.5-154.634.4-39.6000116.7
1002K51.9Low66.8Low180 Ų18079.5 Ų79.578%0.78344%0.444SS*.  trans-147.492.5177.3-69-169.6179.6178.40113.7C1000C1000-K1002 VanDerWaalsContact C-N 3.32Å; C1000-K1002 PolarHBondContact O-N 3.22Å
1003A54.7Low68.2Low51 Ų5179.2 Ų79.242%0.42144%0.443SS..PPolyproline II helixtrans-59.4139.916300000110.9
1004E62.2Low69.7Low64 Ų6476.9 Ų76.930%0.29943%0.43SS..PPolyproline II helixtrans-86.2144.8170.9-66.1-164.6171.100110.6L1009 K1215E1004-L1009 HydrophobicContact CB-CD2 4.06Å; E1004-L1009 WeakPolarHBondContact OE2-CD2 3.04Å; E1004-K1215 WeakPolarHBondContact OE1-CD 3.26Å; E1004-K1215 WeakPolarHBondContact OE1-CE 3.38Å; E1004-K1215 IonicContact OE1-NZ 3.61Å; E1004-K1215 PolarHBondContact OE1-NZ 2.85Å
1005C70.4Confident71.4Confident85 Ų8576.5 Ų76.557%0.57443%0.428SS*.PPolyproline II helixtrans-68.2147.5-179.2-60.40000111.4E1007 S1008C1005-E1007 PolarHBondContact O-N 2.95Å; C1005-S1008 PolarHBondContact O-N 3.34Å; C1005-S1008 PolarHBondContact O-OG 3.1Å
1006F82.4Confident73.1Confident7 Ų774.2 Ų74.23%0.03142%0.415CS..THydrogen-bonded Turntrans-51.1-33.1176.5176.1-112.6000112.9S1008 L1014 Q1068 S1081 K1084 W1085 Y1219F1006-S1008 PolarHBondContact O-N 2.86Å; F1006-L1014 HydrophobicContact CD2-CD1 4.34Å; F1006-L1014 HydrophobicContact CE2-CD1 3.98Å; F1006-Q1068 VanDerWaalsContact CB-CD 3.46Å; F1006-Q1068 HydrophobicContact CB-CG 4.05Å; F1006-Q1068 HydrophobicContact CD1-CG 3.82Å; F1006-Q1068 HydrophobicContact CD2-CG 3.93Å; F1006-Q1068 HydrophobicContact CE1-CG 4.2Å; F1006-Q1068 HydrophobicContact CE2-CG 4.3Å; F1006-Q1068 HydrophobicContact CG-CG 3.66Å; F1006-Q1068 HydrophobicContact CZ-CG 4.41Å; F1006-S1081 VanDerWaalsContact CE1-OG 3.29Å; F1006-S1081 WeakPolarHBondContact CE1-OG 3.4Å; F1006-K1084 HydrophobicContact CE1-CD 3.89Å; F1006-K1084 HydrophobicContact CE2-CD 4.18Å; F1006-K1084 HydrophobicContact CZ-CB 4.21Å; F1006-K1084 HydrophobicContact CZ-CD 3.61Å; F1006-K1084 HydrophobicContact CZ-CG 3.96Å; F1006-K1084 PolarHBondContact O-NZ 3.47Å; F1006-W1085 HydrophobicContact CD2-CZ2 4.18Å; F1006-W1085 HydrophobicContact CE2-CD2 4.27Å; F1006-W1085 AromaticContact CE2-CE2 3.5Å; F1006-W1085 VanDerWaalsContact CE2-CE2 3.5Å; F1006-W1085 HydrophobicContact CE2-CH2 4.31Å; F1006-W1085 AromaticContact CE2-CZ2 3.54Å; F1006-W1085 HydrophobicContact CE2-CZ2 3.54Å; F1006-W1085 AromaticContact CE2-NE1 3.57Å; F1006-W1085 AromaticContact CZ-CD1 3.77Å; F1006-W1085 HydrophobicContact CZ-CD2 4.33Å; F1006-W1085 AromaticContact CZ-CE2 3.75Å; F1006-W1085 HydrophobicContact CZ-CG 4.36Å; F1006-W1085 HydrophobicContact CZ-CZ2 4.26Å; F1006-W1085 AromaticContact CZ-NE1 3.36Å; F1006-Y1219 HydrophobicContact CB-CE2 4.19Å; F1006-Y1219 HydrophobicContact CD2-CE1 4.28Å; F1006-Y1219 AromaticContact CD2-CZ 3.95Å; F1006-Y1219 WeakPolarHBondContact CD2-OH 3.38Å
1007E81.6Confident74.9Confident125 Ų12567.1 Ų67.158%0.58438%0.382SS*.THydrogen-bonded Turntrans-67.2-29.2179.2-66.978-17400114.8C1005 H1072C1005-E1007 PolarHBondContact O-N 2.95Å; E1007-H1072 IonicContact OE1-CE1 2.66Å; E1007-H1072 PolarHBondContact OE1-CE1 2.84Å; E1007-H1072 VanDerWaalsContact OE1-CE1 3.22Å; E1007-H1072 IonicContact OE1-ND1 2.63Å
1008S83.6Confident76.9Confident79 Ų7961.7 Ų61.755%0.55236%0.355SS*.THydrogen-bonded Turntrans-82.9-30.4-176.3480000113.8C1005 F1006C1005-S1008 PolarHBondContact O-N 3.34Å; C1005-S1008 PolarHBondContact O-OG 3.1Å; F1006-S1008 PolarHBondContact O-N 2.86Å
1009L88.8Confident79Confident7 Ų759.3 Ų59.34%0.03734%0.335CS..SBendtrans-69.6143.4179.3-53.4-176000111.2E1004 L1014 K1084 V1216 Y1219E1004-L1009 HydrophobicContact CB-CD2 4.06Å; E1004-L1009 WeakPolarHBondContact OE2-CD2 3.04Å; L1009-L1014 HydrophobicContact CB-CD1 4.36Å; L1009-L1014 HydrophobicContact CB-CG 4.22Å; L1009-L1014 HydrophobicContact CD1-CD2 3.95Å; L1009-K1084 WeakPolarHBondContact O-CE 3.31Å; L1009-K1084 PolarHBondContact O-NZ 3.2Å; L1009-V1216 HydrophobicContact CD1-CG1 4.44Å; L1009-V1216 HydrophobicContact CD1-CG2 4.49Å; L1009-V1216 HydrophobicContact CD2-CG2 4Å; L1009-Y1219 HydrophobicContact CD1-CD1 3.81Å; L1009-Y1219 HydrophobicContact CD1-CE1 4.47Å; L1009-Y1219 HydrophobicContact CD1-CG 3.89Å
1010S91.4Very high81.1Confident45 Ų4552.1 Ų52.132%0.31530%0.297SS..  trans-81.3161.5172.277.60000112.3M1012 E1013 L1014S1010-M1012 PolarHBondContact O-N 3.06Å; S1010-M1012 PolarHBondContact OG-N 2.86Å; S1010-E1013 WeakPolarHBondContact CA-OE2 3.37Å; S1010-E1013 WeakPolarHBondContact CB-OE2 3.43Å; S1010-E1013 PolarHBondContact N-OE2 2.85Å; S1010-E1013 WeakPolarHBondContact OG-CG 3.17Å; S1010-E1013 PolarHBondContact OG-N 3.22Å; S1010-E1013 VanDerWaalsContact OG-N 3.16Å; S1010-E1013 PolarHBondContact OG-OE2 3.03Å; S1010-L1014 WeakPolarHBondContact O-CG 3.45Å; S1010-L1014 PolarHBondContact O-N 2.77Å
1011A91.9Very high83.2Confident23 Ų2348.5 Ų48.519%0.1927%0.272CS..Hα-helixtrans-68.6-21.1173.300000113A1015 A1087 V1088 I1091A1011-A1015 WeakPolarHBondContact O-CB 3.16Å; A1011-A1015 PolarHBondContact O-N 3.09Å; A1011-A1087 HydrophobicContact CB-CB 4.44Å; A1011-V1088 HydrophobicContact CB-CG2 3.83Å; A1011-I1091 HydrophobicContact CB-CD1 4.04Å; A1011-I1091 WeakPolarHBondContact O-CD1 3.34Å
1012M92.4Very high85.3Confident85 Ų8542.5 Ų42.542%0.41923%0.232SC..Hα-helixtrans-74.2-53.6176-167.977.8-169.500110.4S1010 L1014 A1015 E1016 I1091S1010-M1012 PolarHBondContact O-N 3.06Å; S1010-M1012 PolarHBondContact OG-N 2.86Å; M1012-L1014 VanDerWaalsContact C-N 3.29Å; M1012-L1014 PolarHBondContact O-N 3.34Å; M1012-A1015 PolarHBondContact O-N 3.37Å; M1012-E1016 HydrophobicContact CE-CG 4.14Å; M1012-E1016 WeakPolarHBondContact CE-OE1 3.36Å; M1012-E1016 HydrophobicContact CG-CG 4.36Å; M1012-E1016 WeakPolarHBondContact O-CB 3.29Å; M1012-E1016 WeakPolarHBondContact O-CG 3.33Å; M1012-E1016 PolarHBondContact O-N 3.31Å; M1012-I1091 HydrophobicContact CE-CG2 4.39Å; M1012-I1091 HydrophobicContact SD-CD1 4.42Å; M1012-I1091 HydrophobicContact SD-CG2 3.79Å
1013E91.8Very high87.2Confident66 Ų6634.1 Ų34.131%0.30820%0.196SC..Hα-helixtrans-59.4-40.5-178.7-65.6150.3151.100111.1S1010 Q1017 V1216S1010-E1013 WeakPolarHBondContact CA-OE2 3.37Å; S1010-E1013 WeakPolarHBondContact CB-OE2 3.43Å; S1010-E1013 PolarHBondContact N-OE2 2.85Å; S1010-E1013 WeakPolarHBondContact OG-CG 3.17Å; S1010-E1013 PolarHBondContact OG-N 3.22Å; S1010-E1013 VanDerWaalsContact OG-N 3.16Å; S1010-E1013 PolarHBondContact OG-OE2 3.03Å; E1013-Q1017 WeakPolarHBondContact O-CG 3.32Å; E1013-Q1017 PolarHBondContact O-N 3.03Å; E1013-V1216 HydrophobicContact CB-CG2 4.34Å
1014L94.1Very high88.9Confident0 Ų032.6 Ų32.60%018%0.181CC..Hα-helixtrans-60.1-50.2172.3-74.5167.9000112.2F1006 L1009 S1010 M1012 E1016 Q1017 I1018 V1088 V1216 Y1219 L1220F1006-L1014 HydrophobicContact CD2-CD1 4.34Å; F1006-L1014 HydrophobicContact CE2-CD1 3.98Å; L1009-L1014 HydrophobicContact CB-CD1 4.36Å; L1009-L1014 HydrophobicContact CB-CG 4.22Å; L1009-L1014 HydrophobicContact CD1-CD2 3.95Å; S1010-L1014 WeakPolarHBondContact O-CG 3.45Å; S1010-L1014 PolarHBondContact O-N 2.77Å; M1012-L1014 VanDerWaalsContact C-N 3.29Å; M1012-L1014 PolarHBondContact O-N 3.34Å; L1014-E1016 VanDerWaalsContact C-N 3.34Å; L1014-E1016 PolarHBondContact O-N 2.6Å; L1014-Q1017 PolarHBondContact O-N 3.42Å; L1014-I1018 WeakPolarHBondContact O-CB 3.38Å; L1014-I1018 WeakPolarHBondContact O-CD1 3.48Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.28Å; L1014-I1018 PolarHBondContact O-N 3.07Å; L1014-V1088 HydrophobicContact CB-CG1 4.35Å; L1014-V1088 HydrophobicContact CB-CG2 4.01Å; L1014-V1088 HydrophobicContact CD1-CG2 4.17Å; L1014-V1216 HydrophobicContact CD2-CG1 4.2Å; L1014-Y1219 HydrophobicContact CD2-CD1 4.06Å; L1014-Y1219 HydrophobicContact CD2-CE1 4.07Å; L1014-L1220 HydrophobicContact CD2-CD2 4Å
1015A96.8Very high90.2Very high0 Ų030 Ų300%017%0.169CC..Hα-helixtrans-66-35.9-179.200000112.9A1011 M1012 T1019 V1088 I1091A1011-A1015 WeakPolarHBondContact O-CB 3.16Å; A1011-A1015 PolarHBondContact O-N 3.09Å; M1012-A1015 PolarHBondContact O-N 3.37Å; A1015-T1019 VanDerWaalsContact O-CB 3.23Å; A1015-T1019 WeakPolarHBondContact O-CB 3.17Å; A1015-T1019 PolarHBondContact O-N 2.74Å; A1015-T1019 PolarHBondContact O-OG1 3Å; A1015-V1088 HydrophobicContact CB-CG1 3.97Å; A1015-I1091 HydrophobicContact CB-CB 3.66Å; A1015-I1091 HydrophobicContact CB-CG2 3.42Å; A1015-I1091 VanDerWaalsContact CB-CG2 3.42Å
1016E94.4Very high91.3Very high48 Ų4826 Ų2622%0.22414%0.142CC..Hα-helixtrans-64.7-52.3175.2-76.6174.2163.500111.2M1012 L1014 T1019 L1020 L1095 I1210M1012-E1016 HydrophobicContact CE-CG 4.14Å; M1012-E1016 WeakPolarHBondContact CE-OE1 3.36Å; M1012-E1016 HydrophobicContact CG-CG 4.36Å; M1012-E1016 WeakPolarHBondContact O-CB 3.29Å; M1012-E1016 WeakPolarHBondContact O-CG 3.33Å; M1012-E1016 PolarHBondContact O-N 3.31Å; L1014-E1016 VanDerWaalsContact C-N 3.34Å; L1014-E1016 PolarHBondContact O-N 2.6Å; E1016-T1019 PolarHBondContact O-N 2.98Å; E1016-L1020 PolarHBondContact O-N 2.72Å; E1016-L1095 HydrophobicContact CG-CD1 4.33Å; E1016-I1210 HydrophobicContact CB-CD1 4.49Å; E1016-I1210 HydrophobicContact CB-CG2 3.9Å
1017Q93.6Very high91.6Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-71.3-33.9-178.7-60.4-46-73.400113.1E1013 L1014 T1019 L1020 L1021 E1211 Q1213 V1216 L1220E1013-Q1017 WeakPolarHBondContact O-CG 3.32Å; E1013-Q1017 PolarHBondContact O-N 3.03Å; L1014-Q1017 PolarHBondContact O-N 3.42Å; Q1017-T1019 VanDerWaalsContact C-N 3.32Å; Q1017-T1019 PolarHBondContact O-N 3.07Å; Q1017-L1020 PolarHBondContact O-N 2.93Å; Q1017-L1021 WeakPolarHBondContact O-CG 3.5Å; Q1017-L1021 PolarHBondContact O-N 3.46Å; Q1017-E1211 PolarHBondContact NE2-O 2.96Å; Q1017-Q1213 HydrophobicContact CG-CB 4.11Å; Q1017-V1216 HydrophobicContact CB-CB 4.44Å; Q1017-V1216 HydrophobicContact CB-CG1 3.86Å; Q1017-V1216 HydrophobicContact CG-CB 3.8Å; Q1017-V1216 HydrophobicContact CG-CG1 3.63Å; Q1017-L1220 HydrophobicContact CB-CD1 3.7Å
1018I94.9Very high91.9Very high0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-58.9-47.1169.4-69.3166.8000109.7L1014 L1020 L1021 D1022 M1061 W1085 V1088 L1220L1014-I1018 WeakPolarHBondContact O-CB 3.38Å; L1014-I1018 WeakPolarHBondContact O-CD1 3.48Å; L1014-I1018 WeakPolarHBondContact O-CG1 3.28Å; L1014-I1018 PolarHBondContact O-N 3.07Å; I1018-L1020 VanDerWaalsContact C-N 3.32Å; I1018-L1020 PolarHBondContact O-N 2.78Å; I1018-L1021 PolarHBondContact O-N 2.88Å; I1018-D1022 VanDerWaalsContact O-CB 3.24Å; I1018-D1022 WeakPolarHBondContact O-CB 3.33Å; I1018-D1022 PolarHBondContact O-N 3.47Å; I1018-M1061 HydrophobicContact CD1-CE 3.63Å; I1018-M1061 HydrophobicContact CG1-CE 3.66Å; I1018-M1061 HydrophobicContact CG1-SD 4.47Å; I1018-M1061 HydrophobicContact CG2-CE 4.42Å; I1018-W1085 HydrophobicContact CD1-CZ3 3.99Å; I1018-V1088 HydrophobicContact CD1-CG1 4.03Å; I1018-L1220 HydrophobicContact CD1-CD2 4Å; I1018-L1220 HydrophobicContact CG1-CD1 3.77Å; I1018-L1220 HydrophobicContact CG1-CD2 3.74Å; I1018-L1220 HydrophobicContact CG1-CG 4.41Å
1019T96.1Very high92.2Very high0 Ų022.4 Ų22.40%012%0.116CC..Hα-helixtrans-65-34178.7-60.10000113.1A1015 E1016 Q1017 H1023 L1095 N1097 Y1208 I1210A1015-T1019 VanDerWaalsContact O-CB 3.23Å; A1015-T1019 WeakPolarHBondContact O-CB 3.17Å; A1015-T1019 PolarHBondContact O-N 2.74Å; A1015-T1019 PolarHBondContact O-OG1 3Å; E1016-T1019 PolarHBondContact O-N 2.98Å; Q1017-T1019 VanDerWaalsContact C-N 3.32Å; Q1017-T1019 PolarHBondContact O-N 3.07Å; T1019-H1023 VanDerWaalsContact O-CB 3.25Å; T1019-H1023 WeakPolarHBondContact O-CB 3.3Å; T1019-H1023 PolarHBondContact O-N 3.07Å; T1019-L1095 HydrophobicContact CG2-CB 4.27Å; T1019-L1095 HydrophobicContact CG2-CD1 4.44Å; T1019-N1097 WeakPolarHBondContact CA-ND2 3.43Å; T1019-N1097 HydrophobicContact CG2-CB 3.87Å; T1019-N1097 WeakPolarHBondContact OG1-CB 3.47Å; T1019-N1097 PolarHBondContact OG1-ND2 3.01Å; T1019-N1097 VanDerWaalsContact OG1-ND2 3.14Å; T1019-Y1208 HydrophobicContact CG2-CD1 3.75Å; T1019-Y1208 HydrophobicContact CG2-CD2 4.19Å; T1019-Y1208 HydrophobicContact CG2-CE1 3.39Å; T1019-Y1208 HydrophobicContact CG2-CE2 3.86Å; T1019-Y1208 HydrophobicContact CG2-CG 4.12Å; T1019-Y1208 VanDerWaalsContact CG2-CZ 3.43Å; T1019-I1210 HydrophobicContact CG2-CD1 3.95Å
1020L92.8Very high92.1Very high17 Ų1722.3 Ų22.39%0.08912%0.116CC..Hα-helixtrans-65.6-51.4173.2-178.662.2000111.2E1016 Q1017 I1018 H1023 I1024 I1210 H1212E1016-L1020 PolarHBondContact O-N 2.72Å; Q1017-L1020 PolarHBondContact O-N 2.93Å; I1018-L1020 VanDerWaalsContact C-N 3.32Å; I1018-L1020 PolarHBondContact O-N 2.78Å; L1020-H1023 PolarHBondContact O-N 2.81Å; L1020-I1024 HydrophobicContact CD1-CD1 3.91Å; L1020-I1024 HydrophobicContact CD1-CG1 4.33Å; L1020-I1024 HydrophobicContact CG-CD1 3.91Å; L1020-I1024 VanDerWaalsContact O-CG1 3.25Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.32Å; L1020-I1024 PolarHBondContact O-N 3.13Å; L1020-I1210 HydrophobicContact CB-CG2 4.15Å; L1020-I1210 HydrophobicContact CD2-CG2 4.36Å; L1020-H1212 HydrophobicContact CD2-CB 3.96Å
1021L91.7Very high91.9Very high6 Ų620.2 Ų20.23%0.03110%0.101CC..Hα-helixtrans-60.7-50178.8-69.7170.8000111.6I994 Q1017 I1018 H1023 I1024 V1025 H1057 T1217 L1220 M1221I994-L1021 HydrophobicContact CD1-CD2 4.17Å; I994-L1021 HydrophobicContact CG2-CD2 4.15Å; Q1017-L1021 WeakPolarHBondContact O-CG 3.5Å; Q1017-L1021 PolarHBondContact O-N 3.46Å; I1018-L1021 PolarHBondContact O-N 2.88Å; L1021-H1023 VanDerWaalsContact C-N 3.31Å; L1021-H1023 PolarHBondContact O-N 3.3Å; L1021-I1024 PolarHBondContact O-N 2.84Å; L1021-V1025 WeakPolarHBondContact O-CG2 3.31Å; L1021-V1025 PolarHBondContact O-N 3.16Å; L1021-H1057 WeakPolarHBondContact CB-NE2 3.42Å; L1021-T1217 HydrophobicContact CD1-CG2 4.32Å; L1021-T1217 HydrophobicContact CD2-CG2 4.02Å; L1021-L1220 HydrophobicContact CD1-CB 4.13Å; L1021-L1220 HydrophobicContact CD1-CD1 4.13Å; L1021-M1221 HydrophobicContact CD1-CG 4.3Å; L1021-M1221 HydrophobicContact CD1-SD 4.45Å; L1021-M1221 HydrophobicContact CD2-SD 4.01Å
1022D94.1Very high91.7Very high4 Ų422.7 Ų22.72%0.02111%0.109CC..Hα-helixtrans-50.7-49.8174.3-95.3-23.5000111.8I1018 F1026 H1057 N1097 N1099 G1100 V1159I1018-D1022 VanDerWaalsContact O-CB 3.24Å; I1018-D1022 WeakPolarHBondContact O-CB 3.33Å; I1018-D1022 PolarHBondContact O-N 3.47Å; D1022-F1026 WeakPolarHBondContact O-CB 3.47Å; D1022-F1026 PolarHBondContact O-N 3.49Å; D1022-H1057 IonicContact OD1-CD2 3.02Å; D1022-N1097 VanDerWaalsContact OD2-CG 3.28Å; D1022-N1097 PolarHBondContact OD2-ND2 3.38Å; D1022-N1097 PolarHBondContact OD2-OD1 2.92Å; D1022-N1097 VanDerWaalsContact OD2-OD1 3.06Å; D1022-N1099 PolarHBondContact OD1-ND2 3.07Å; D1022-G1100 PolarHBondContact OD2-N 3.48Å; D1022-G1100 VanDerWaalsContact OD2-N 3.16Å; D1022-V1159 HydrophobicContact CB-CG1 4.22Å; D1022-V1159 HydrophobicContact CB-CG2 4.23Å
1023H92.6Very high91.6Very high5 Ų519.2 Ų19.22%0.0239%0.092CC..Hα-helixtrans-67.5-41.9-178.3179.180.4000112.5T1019 L1020 L1021 F1026 R1027 V1159 T1206 Y1208T1019-H1023 VanDerWaalsContact O-CB 3.25Å; T1019-H1023 WeakPolarHBondContact O-CB 3.3Å; T1019-H1023 PolarHBondContact O-N 3.07Å; L1020-H1023 PolarHBondContact O-N 2.81Å; L1021-H1023 VanDerWaalsContact C-N 3.31Å; L1021-H1023 PolarHBondContact O-N 3.3Å; H1023-F1026 PolarHBondContact O-N 3.28Å; H1023-R1027 WeakPolarHBondContact O-CB 3.42Å; H1023-R1027 PolarHBondContact O-N 2.83Å; H1023-V1159 HydrophobicContact CB-CG2 3.84Å; H1023-T1206 PolarHBondContact CE1-O 3.13Å; H1023-T1206 VanDerWaalsContact CE1-O 3.31Å; H1023-Y1208 HydrophobicContact CB-CD2 3.6Å; H1023-Y1208 HydrophobicContact CB-CE2 3.87Å; H1023-Y1208 AromaticContact CG-CD2 3.5Å; H1023-Y1208 AromaticContact CG-CE2 3.92Å; H1023-Y1208 AromaticContact ND1-CD2 3.65Å; H1023-Y1208 AromaticContact ND1-CE2 3.74Å
1024I89.2Confident91.7Very high18 Ų1816.1 Ų16.19%0.0928%0.077CC..Hα-helixtrans-62.4-49.8178.1-63.8165.9000109.3L989 I991 I994 L1020 L1021 F1026 R1027 S1028L989-I1024 HydrophobicContact CB-CD1 4.44Å; I991-I1024 HydrophobicContact CG1-CG2 3.58Å; I994-I1024 HydrophobicContact CD1-CD1 3.58Å; L1020-I1024 HydrophobicContact CD1-CD1 3.91Å; L1020-I1024 HydrophobicContact CD1-CG1 4.33Å; L1020-I1024 HydrophobicContact CG-CD1 3.91Å; L1020-I1024 VanDerWaalsContact O-CG1 3.25Å; L1020-I1024 WeakPolarHBondContact O-CG1 3.32Å; L1020-I1024 PolarHBondContact O-N 3.13Å; L1021-I1024 PolarHBondContact O-N 2.84Å; I1024-F1026 VanDerWaalsContact C-N 3.32Å; I1024-F1026 PolarHBondContact O-N 3.43Å; I1024-R1027 PolarHBondContact O-N 3.04Å; I1024-S1028 PolarHBondContact O-N 3.24Å; I1024-S1028 PolarHBondContact O-OG 2.96Å
1025V90.1Very high91.5Very high10 Ų1017.1 Ų17.16%0.0618%0.082CC..Hα-helixtrans-66.6-32.6-178.6-175.10000112.1I991 L1021 K1053 T1054I991-V1025 HydrophobicContact CD1-CB 4.4Å; I991-V1025 HydrophobicContact CD1-CG1 4.49Å; I991-V1025 HydrophobicContact CD1-CG2 4.03Å; I991-V1025 HydrophobicContact CG1-CG2 4.2Å; I991-V1025 HydrophobicContact CG2-CG2 4.46Å; L1021-V1025 WeakPolarHBondContact O-CG2 3.31Å; L1021-V1025 PolarHBondContact O-N 3.16Å; V1025-K1053 HydrophobicContact CG1-CG 4.47Å; V1025-T1054 HydrophobicContact CG1-CG2 4.2Å; V1025-T1054 PolarHBondContact O-OG1 2.88Å
1026F92.6Very high90.9Very high2 Ų218.6 Ų18.61%0.00910%0.098CC..Hα-helixtrans-71.8-38.6172.1172.5-108.5000113.3D1022 H1023 I1024 I1029 V1159 P1160 L1162 I1200 F1203 Q1204D1022-F1026 WeakPolarHBondContact O-CB 3.47Å; D1022-F1026 PolarHBondContact O-N 3.49Å; H1023-F1026 PolarHBondContact O-N 3.28Å; I1024-F1026 VanDerWaalsContact C-N 3.32Å; I1024-F1026 PolarHBondContact O-N 3.43Å; F1026-I1029 HydrophobicContact CD2-CD1 4.33Å; F1026-I1029 WeakPolarHBondContact O-CG1 3.23Å; F1026-V1159 HydrophobicContact CB-CG1 4.15Å; F1026-V1159 HydrophobicContact CD1-CG1 4.38Å; F1026-V1159 HydrophobicContact CG-CG1 4.2Å; F1026-P1160 HydrophobicContact CE1-CG 4.32Å; F1026-P1160 HydrophobicContact CE2-CG 3.97Å; F1026-P1160 HydrophobicContact CZ-CG 3.66Å; F1026-L1162 HydrophobicContact CD2-CD1 4.38Å; F1026-L1162 HydrophobicContact CE2-CD1 4.19Å; F1026-I1200 HydrophobicContact CE2-CG2 3.92Å; F1026-I1200 HydrophobicContact CZ-CG2 3.87Å; F1026-F1203 HydrophobicContact CE1-CB 3.84Å; F1026-F1203 HydrophobicContact CZ-CB 4.15Å; F1026-Q1204 HydrophobicContact CD1-CG 3.96Å; F1026-Q1204 HydrophobicContact CE1-CB 4.41Å; F1026-Q1204 HydrophobicContact CE1-CG 3.53Å; F1026-Q1204 HydrophobicContact CZ-CG 3.87Å; F1026-Q1204 PolarHBondContact O-NE2 3.11Å
1027R89.7Confident90.5Very high99 Ų9917.3 Ų17.337%0.3749%0.091SC..Hα-helixtrans-70.4-34.6178.6176.4176.9162.7-166-3.7112.3Q988 H1023 I1024 I1029Q988-R1027 VanDerWaalsContact OE1-CZ 3.24Å; H1023-R1027 WeakPolarHBondContact O-CB 3.42Å; H1023-R1027 PolarHBondContact O-N 2.83Å; I1024-R1027 PolarHBondContact O-N 3.04Å; R1027-I1029 PolarHBondContact O-N 3.38Å
1028S87.5Confident90.2Very high35 Ų3517.6 Ų17.625%0.2459%0.094CC..THydrogen-bonded Turntrans-66.4-12.6179.2-66.70000114.7I991 I1024 P1030 Y1050I991-S1028 WeakPolarHBondContact CD1-OG 3.46Å; I1024-S1028 PolarHBondContact O-N 3.24Å; I1024-S1028 PolarHBondContact O-OG 2.96Å; S1028-P1030 WeakPolarHBondContact O-CD 3.28Å; S1028-Y1050 WeakPolarHBondContact O-CD1 3.01Å
1029I89.6Confident90.1Very high0 Ų018.9 Ų18.90%010%0.099CC..  trans-70.5113.9-179.8-47.7168.5000110.2F1026 R1027 E1033 F1034 I1051 T1054 L1162 Q1204F1026-I1029 HydrophobicContact CD2-CD1 4.33Å; F1026-I1029 WeakPolarHBondContact O-CG1 3.23Å; R1027-I1029 PolarHBondContact O-N 3.38Å; I1029-E1033 HydrophobicContact CG2-CB 4.4Å; I1029-F1034 HydrophobicContact CB-CZ 4.19Å; I1029-F1034 HydrophobicContact CD1-CZ 4.27Å; I1029-F1034 HydrophobicContact CG2-CE1 4.06Å; I1029-F1034 HydrophobicContact CG2-CE2 4.04Å; I1029-F1034 HydrophobicContact CG2-CZ 3.53Å; I1029-I1051 HydrophobicContact CG2-CD1 4.47Å; I1029-I1051 HydrophobicContact CG2-CG1 3.7Å; I1029-T1054 WeakPolarHBondContact CD1-OG1 3.38Å; I1029-L1162 HydrophobicContact CD1-CD1 4.1Å; I1029-L1162 HydrophobicContact CD1-CD2 3.62Å; I1029-Q1204 PolarHBondContact O-NE2 3.19Å
1030P87.7Confident89.6Confident5 Ų523.7 Ų23.73%0.03212%0.123CC..  trans-74.5141.7173.232.7-31.9000109M943 S1028 E1032 E1033 Y1050M943-P1030 HydrophobicContact CE-CB 4.42Å; M943-P1030 HydrophobicContact CE-CG 4.26Å; S1028-P1030 WeakPolarHBondContact O-CD 3.28Å; P1030-E1032 PolarHBondContact O-N 3.4Å; P1030-E1033 HydrophobicContact CG-CG 4.17Å; P1030-E1033 PolarHBondContact O-N 3.17Å; P1030-E1033 VanDerWaalsContact O-N 3.17Å; P1030-Y1050 HydrophobicContact CG-CD2 3.85Å; P1030-Y1050 HydrophobicContact CG-CE2 4.24Å
1031Y87.1Confident89.4Confident1 Ų126.7 Ų26.70%0.00414%0.135CC..G310 helixtrans-69.5-9.1-170.570.4-94.6000114.6L664 H665 R668 H937 D940 E1033 F1034 I1197L664-Y1031 PolarHBondContact O-OH 3.49Å; H665-Y1031 AromaticContact CD2-CD2 4Å; R668-Y1031 PolarHBondContact NH1-OH 2.89Å; H937-Y1031 HydrophobicContact CB-CE1 4.37Å; H937-Y1031 AromaticContact ND1-CE1 3.82Å; H937-Y1031 AromaticContact ND1-CZ 3.47Å; H937-Y1031 PolarHBondContact ND1-OH 2.79Å; D940-Y1031 PolarHBondContact OD1-OH 2.77Å; D940-Y1031 PolarHBondContact OD2-OH 3.3Å; Y1031-E1033 VanDerWaalsContact C-N 3.27Å; Y1031-E1033 PolarHBondContact O-N 2.91Å; Y1031-F1034 PolarHBondContact O-N 3.24Å; Y1031-I1197 HydrophobicContact CD2-CG2 4.31Å; Y1031-I1197 HydrophobicContact CG-CG2 4.21Å
1032E86.9Confident89.1Confident76 Ų7633.6 Ų33.636%0.35518%0.178SC..G310 helixtrans-59.3-36.9171.2-56.2-168.8142.800112.3R668 P1030 F1034 L1035R668-E1032 IonicContact CZ-OE1 3.2Å; R668-E1032 IonicContact NE-OE1 2.74Å; R668-E1032 PolarHBondContact NE-OE1 3.4Å; R668-E1032 IonicContact NH2-OE1 3.19Å; R668-E1032 PolarHBondContact NH2-OE1 3.24Å; P1030-E1032 PolarHBondContact O-N 3.4Å; E1032-F1034 PolarHBondContact O-N 2.72Å; E1032-F1034 VanDerWaalsContact O-N 3.16Å; E1032-L1035 WeakPolarHBondContact O-CB 3.41Å; E1032-L1035 WeakPolarHBondContact O-CG 3.47Å; E1032-L1035 PolarHBondContact O-N 2.85Å; E1032-L1035 VanDerWaalsContact O-N 3.14Å
1033E91.1Very high88.8Confident12 Ų1236 Ų366%0.05619%0.19CC..G310 helixtrans-66.3-18.7-176.7-68.9-163.2-17600113.3I1029 P1030 Y1031 L1035 W1039 T1048 P1049 Y1050 I1051I1029-E1033 HydrophobicContact CG2-CB 4.4Å; P1030-E1033 HydrophobicContact CG-CG 4.17Å; P1030-E1033 PolarHBondContact O-N 3.17Å; P1030-E1033 VanDerWaalsContact O-N 3.17Å; Y1031-E1033 VanDerWaalsContact C-N 3.27Å; Y1031-E1033 PolarHBondContact O-N 2.91Å; E1033-L1035 PolarHBondContact O-N 3.2Å; E1033-W1039 VanDerWaalsContact O-CZ3 3.27Å; E1033-W1039 WeakPolarHBondContact O-CZ3 3.31Å; E1033-T1048 HydrophobicContact CB-CG2 3.79Å; E1033-T1048 VanDerWaalsContact CD-C 3.46Å; E1033-T1048 HydrophobicContact CG-CG2 4.07Å; E1033-T1048 WeakPolarHBondContact O-CG2 3.34Å; E1033-T1048 VanDerWaalsContact OE2-CA 3.29Å; E1033-T1048 WeakPolarHBondContact OE2-CA 3.47Å; E1033-T1048 WeakPolarHBondContact OE2-CB 3.5Å; E1033-P1049 WeakPolarHBondContact OE1-CD 3.49Å; E1033-P1049 WeakPolarHBondContact OE1-CG 3.36Å; E1033-Y1050 WeakPolarHBondContact OE1-CB 3.38Å; E1033-Y1050 VanDerWaalsContact OE1-CD2 3.26Å; E1033-Y1050 WeakPolarHBondContact OE1-CD2 3.45Å; E1033-Y1050 PolarHBondContact OE1-N 3.35Å; E1033-Y1050 PolarHBondContact OE2-N 2.81Å; E1033-I1051 HydrophobicContact CB-CD1 3.57Å; E1033-I1051 HydrophobicContact CB-CG1 4.06Å; E1033-I1051 WeakPolarHBondContact OE2-CB 3.44Å; E1033-I1051 VanDerWaalsContact OE2-CG1 3.27Å; E1033-I1051 WeakPolarHBondContact OE2-CG1 3.49Å; E1033-I1051 PolarHBondContact OE2-N 2.96Å
1034F92.2Very high88.6Confident0 Ų039.9 Ų39.90%021%0.207CC..G310 helixtrans-78.7-1.4177.1-60.9-48.8000113.9I1029 Y1031 E1032 I1051 L1162 L1166 L1169 I1197 I1200I1029-F1034 HydrophobicContact CB-CZ 4.19Å; I1029-F1034 HydrophobicContact CD1-CZ 4.27Å; I1029-F1034 HydrophobicContact CG2-CE1 4.06Å; I1029-F1034 HydrophobicContact CG2-CE2 4.04Å; I1029-F1034 HydrophobicContact CG2-CZ 3.53Å; Y1031-F1034 PolarHBondContact O-N 3.24Å; E1032-F1034 PolarHBondContact O-N 2.72Å; E1032-F1034 VanDerWaalsContact O-N 3.16Å; F1034-I1051 HydrophobicContact CD1-CD1 3.68Å; F1034-I1051 HydrophobicContact CD1-CG1 4.48Å; F1034-I1051 HydrophobicContact CE1-CD1 3.66Å; F1034-I1051 HydrophobicContact CE1-CG1 3.97Å; F1034-L1162 HydrophobicContact CE1-CD1 3.95Å; F1034-L1162 HydrophobicContact CZ-CD1 4.14Å; F1034-L1166 HydrophobicContact CD1-CD2 3.89Å; F1034-L1166 HydrophobicContact CE1-CD2 4.02Å; F1034-L1169 HydrophobicContact CB-CD1 3.84Å; F1034-L1169 HydrophobicContact CD1-CD1 4.05Å; F1034-L1169 HydrophobicContact CG-CD1 4.2Å; F1034-I1197 HydrophobicContact CB-CD1 4.24Å; F1034-I1197 HydrophobicContact CB-CG1 4.08Å; F1034-I1197 HydrophobicContact CD2-CG1 4.26Å; F1034-I1200 HydrophobicContact CD1-CD1 4.27Å; F1034-I1200 HydrophobicContact CD2-CD1 4.11Å; F1034-I1200 HydrophobicContact CE1-CD1 4.07Å; F1034-I1200 HydrophobicContact CE2-CD1 3.89Å; F1034-I1200 HydrophobicContact CE2-CG2 3.86Å; F1034-I1200 HydrophobicContact CG-CD1 4.31Å; F1034-I1200 HydrophobicContact CZ-CD1 3.87Å; F1034-I1200 HydrophobicContact CZ-CG2 3.97Å
1035L90.2Very high88.5Confident22 Ų2243.8 Ų43.812%0.11523%0.232CC..SBendtrans-97.7141.9-177.4-49.4179.4000111.6R668 I669 E1032 E1033 Q1037 I1193 I1197R668-L1035 HydrophobicContact CB-CD1 4.08Å; I669-L1035 HydrophobicContact CD1-CB 4.37Å; I669-L1035 HydrophobicContact CD1-CD2 4.09Å; I669-L1035 HydrophobicContact CG1-CB 4.35Å; I669-L1035 HydrophobicContact CG1-CD1 4.44Å; E1032-L1035 WeakPolarHBondContact O-CB 3.41Å; E1032-L1035 WeakPolarHBondContact O-CG 3.47Å; E1032-L1035 PolarHBondContact O-N 2.85Å; E1032-L1035 VanDerWaalsContact O-N 3.14Å; E1033-L1035 PolarHBondContact O-N 3.2Å; L1035-Q1037 VanDerWaalsContact C-N 3.27Å; L1035-Q1037 PolarHBondContact O-N 2.77Å; L1035-I1193 HydrophobicContact CD2-CG2 3.71Å; L1035-I1197 HydrophobicContact CD2-CD1 3.74Å
1036G84.9Confident88.4Confident31 Ų3151 Ų5132%0.3227%0.265SS..THydrogen-bonded Turntrans70.212.516800000116.6G1038 K1041 E1173G1036-G1038 PolarHBondContact O-N 2.92Å; G1036-K1041 WeakPolarHBondContact O-CE 3.37Å; G1036-K1041 PolarHBondContact O-NZ 3.44Å; G1036-E1173 VanDerWaalsContact CA-OE1 3.31Å; G1036-E1173 WeakPolarHBondContact CA-OE1 3.33Å; G1036-E1173 PolarHBondContact N-OE1 3.14Å
1037Q86.8Confident87.9Confident20 Ų2058 Ų589%0.09329%0.291CS..THydrogen-bonded Turntrans56.141.7-175.6-47.8174.6-77.600113.9L1035 W1039 M1040 K1041 E1173 E1174L1035-Q1037 VanDerWaalsContact C-N 3.27Å; L1035-Q1037 PolarHBondContact O-N 2.77Å; Q1037-W1039 HydrophobicContact CB-CH2 4.49Å; Q1037-W1039 HydrophobicContact CB-CZ2 4.43Å; Q1037-W1039 PolarHBondContact O-N 3.3Å; Q1037-M1040 HydrophobicContact CB-CB 4.27Å; Q1037-M1040 HydrophobicContact CB-CG 4.48Å; Q1037-M1040 HydrophobicContact CB-SD 4.24Å; Q1037-M1040 HydrophobicContact CG-SD 4.47Å; Q1037-M1040 PolarHBondContact NE2-SD 2.96Å; Q1037-M1040 VanDerWaalsContact NE2-SD 3.39Å; Q1037-M1040 PolarHBondContact O-N 3.49Å; Q1037-K1041 WeakPolarHBondContact O-CE 3.39Å; Q1037-E1173 HydrophobicContact CG-CB 3.44Å; Q1037-E1173 VanDerWaalsContact CG-CB 3.44Å; Q1037-E1173 HydrophobicContact CG-CG 3.7Å; Q1037-E1174 PolarHBondContact NE2-OE1 2.72Å
1038G87.1Confident87.9Confident6 Ų653.3 Ų53.36%0.06227%0.274CS..G310 helixtrans-52.1-39.6-177.700000113.8G1036 M1040 K1041 K1044G1036-G1038 PolarHBondContact O-N 2.92Å; G1038-M1040 PolarHBondContact O-N 2.89Å; G1038-M1040 VanDerWaalsContact O-N 3.13Å; G1038-K1041 PolarHBondContact O-N 3.33Å; G1038-K1041 VanDerWaalsContact O-N 3.09Å; G1038-K1044 WeakPolarHBondContact O-CA 3.31Å; G1038-K1044 WeakPolarHBondContact O-CB 3.4Å
1039W91.1Very high88Confident28 Ų2854.5 Ų54.511%0.10628%0.281CS..G310 helixtrans-64.8-14.3178.563.995.1000114.8E1033 Q1037 K1044 T1048 I1051 L1166 L1169E1033-W1039 VanDerWaalsContact O-CZ3 3.27Å; E1033-W1039 WeakPolarHBondContact O-CZ3 3.31Å; Q1037-W1039 HydrophobicContact CB-CH2 4.49Å; Q1037-W1039 HydrophobicContact CB-CZ2 4.43Å; Q1037-W1039 PolarHBondContact O-N 3.3Å; W1039-K1044 WeakPolarHBondContact O-CD 3.32Å; W1039-T1048 VanDerWaalsContact CA-OG1 3.28Å; W1039-T1048 WeakPolarHBondContact CA-OG1 3.28Å; W1039-T1048 HydrophobicContact CE3-CG2 4.5Å; W1039-T1048 PolarHBondContact N-OG1 3.22Å; W1039-I1051 HydrophobicContact CB-CG2 4.04Å; W1039-I1051 HydrophobicContact CE3-CD1 4Å; W1039-L1166 HydrophobicContact CD2-CD2 4.06Å; W1039-L1166 HydrophobicContact CE3-CD2 4.27Å; W1039-L1166 HydrophobicContact CH2-CD2 4.3Å; W1039-L1166 HydrophobicContact CZ2-CB 4.23Å; W1039-L1166 HydrophobicContact CZ2-CD2 4.07Å; W1039-L1166 HydrophobicContact CZ3-CD2 4.4Å; W1039-L1169 HydrophobicContact CH2-CB 3.84Å; W1039-L1169 HydrophobicContact CH2-CD1 4.2Å; W1039-L1169 HydrophobicContact CZ2-CB 4.07Å
1040M86.9Confident88.1Confident100 Ų10057.8 Ų57.849%0.49329%0.294SS..G310 helixtrans-102.30.3177.3-62.3175.766.500113.3Q1037 G1038 A1170Q1037-M1040 HydrophobicContact CB-CB 4.27Å; Q1037-M1040 HydrophobicContact CB-CG 4.48Å; Q1037-M1040 HydrophobicContact CB-SD 4.24Å; Q1037-M1040 HydrophobicContact CG-SD 4.47Å; Q1037-M1040 PolarHBondContact NE2-SD 2.96Å; Q1037-M1040 VanDerWaalsContact NE2-SD 3.39Å; Q1037-M1040 PolarHBondContact O-N 3.49Å; G1038-M1040 PolarHBondContact O-N 2.89Å; G1038-M1040 VanDerWaalsContact O-N 3.13Å; M1040-A1170 HydrophobicContact SD-CB 3.73Å
1041K88.2Confident88.3Confident81 Ų8157.8 Ų57.835%0.35229%0.293SS..SBendtrans-87.7169.4177.8-49.2-50177.3-165.90111.3G1036 Q1037 G1038 D1043 K1044G1036-K1041 WeakPolarHBondContact O-CE 3.37Å; G1036-K1041 PolarHBondContact O-NZ 3.44Å; Q1037-K1041 WeakPolarHBondContact O-CE 3.39Å; G1038-K1041 PolarHBondContact O-N 3.33Å; G1038-K1041 VanDerWaalsContact O-N 3.09Å; K1041-D1043 VanDerWaalsContact C-N 3.31Å; K1041-D1043 WeakPolarHBondContact CB-OD1 3.32Å; K1041-K1044 WeakPolarHBondContact O-CB 3.25Å; K1041-K1044 WeakPolarHBondContact O-CG 3.12Å; K1041-K1044 PolarHBondContact O-N 3.39Å
1042V85.2Confident88.5Confident151 Ų15159.9 Ų59.992%0.91530%0.303SS*.THydrogen-bonded Turntrans-67-37.3178.8-176.20000110.8K1044V1042-K1044 VanDerWaalsContact C-N 3.28Å; V1042-K1044 PolarHBondContact O-N 3.06Å
1043D89.1Confident88.7Confident54 Ų5459.2 Ų59.229%0.28930%0.299SS..THydrogen-bonded Turntrans-87.723.417852.3-3.6000113.3K1041 T1045 E1046 R1047K1041-D1043 VanDerWaalsContact C-N 3.31Å; K1041-D1043 WeakPolarHBondContact CB-OD1 3.32Å; D1043-T1045 PolarHBondContact O-N 3.45Å; D1043-T1045 VanDerWaalsContact O-N 3.1Å; D1043-E1046 PolarHBondContact O-N 2.82Å; D1043-R1047 PolarHBondContact O-N 3.32Å; D1043-R1047 WeakPolarHBondContact OD1-CD 3.45Å; D1043-R1047 IonicContact OD1-CZ 3.62Å; D1043-R1047 IonicContact OD1-NE 2.88Å; D1043-R1047 PolarHBondContact OD1-NE 2.91Å; D1043-R1047 IonicContact OD1-NH2 2.78Å; D1043-R1047 IonicContact OD2-CZ 3.43Å; D1043-R1047 IonicContact OD2-NE 3.26Å; D1043-R1047 PolarHBondContact OD2-NE 2.98Å; D1043-R1047 IonicContact OD2-NH2 2.69Å; D1043-R1047 PolarHBondContact OD2-NH2 3.43Å
1044K88.5Confident88.7Confident87 Ų8759.1 Ų59.138%0.37830%0.3SS..Hα-helixtrans-54.5-28.4-178.359.8-177.2-176.2176.60115.7G1038 W1039 K1041 V1042 E1046 T1048 M1052G1038-K1044 WeakPolarHBondContact O-CA 3.31Å; G1038-K1044 WeakPolarHBondContact O-CB 3.4Å; W1039-K1044 WeakPolarHBondContact O-CD 3.32Å; K1041-K1044 WeakPolarHBondContact O-CB 3.25Å; K1041-K1044 WeakPolarHBondContact O-CG 3.12Å; K1041-K1044 PolarHBondContact O-N 3.39Å; V1042-K1044 VanDerWaalsContact C-N 3.28Å; V1042-K1044 PolarHBondContact O-N 3.06Å; K1044-E1046 VanDerWaalsContact C-N 3.33Å; K1044-T1048 CarbonylContact O-C 3.55Å; K1044-T1048 WeakPolarHBondContact O-CA 3.32Å; K1044-T1048 PolarHBondContact O-N 2.87Å; K1044-T1048 PolarHBondContact O-OG1 3.23Å; K1044-M1052 HydrophobicContact CB-SD 4.34Å; K1044-M1052 HydrophobicContact CD-CE 4.26Å; K1044-M1052 HydrophobicContact CD-SD 3.85Å; K1044-M1052 HydrophobicContact CG-SD 4.1Å
1045T86.9Confident88.7Confident100 Ų10061.8 Ų61.861%0.61332%0.319SS*.Hα-helixtrans-75.2-22.9177.3460000113.1D1043D1043-T1045 PolarHBondContact O-N 3.45Å; D1043-T1045 VanDerWaalsContact O-N 3.1Å
1046E86.6Confident88.7Confident162 Ų16265.1 Ų65.176%0.75733%0.334SS*.Hα-helixtrans-93.2-41.7175.6-173.9-179.3168.700110.8D1043 K1044D1043-E1046 PolarHBondContact O-N 2.82Å; K1044-E1046 VanDerWaalsContact C-N 3.33Å
1047R82.9Confident89Confident147 Ų14764.8 Ų64.856%0.55532%0.324SS*.Hα-helixtrans-73.1-33.2178.1-67.5-170.7-171.6-92.1-17.9114.7D1043D1043-R1047 PolarHBondContact O-N 3.32Å; D1043-R1047 WeakPolarHBondContact OD1-CD 3.45Å; D1043-R1047 IonicContact OD1-CZ 3.62Å; D1043-R1047 IonicContact OD1-NE 2.88Å; D1043-R1047 PolarHBondContact OD1-NE 2.91Å; D1043-R1047 IonicContact OD1-NH2 2.78Å; D1043-R1047 IonicContact OD2-CZ 3.43Å; D1043-R1047 IonicContact OD2-NE 3.26Å; D1043-R1047 PolarHBondContact OD2-NE 2.98Å; D1043-R1047 IonicContact OD2-NH2 2.69Å; D1043-R1047 PolarHBondContact OD2-NH2 3.43Å
1048T89.7Confident89.3Confident1 Ų165.1 Ų65.11%0.00633%0.325CS..  trans-139.554.7-171.453.20000113.1E1033 W1039 K1044 Y1050 I1051 M1052E1033-T1048 HydrophobicContact CB-CG2 3.79Å; E1033-T1048 VanDerWaalsContact CD-C 3.46Å; E1033-T1048 HydrophobicContact CG-CG2 4.07Å; E1033-T1048 WeakPolarHBondContact O-CG2 3.34Å; E1033-T1048 VanDerWaalsContact OE2-CA 3.29Å; E1033-T1048 WeakPolarHBondContact OE2-CA 3.47Å; E1033-T1048 WeakPolarHBondContact OE2-CB 3.5Å; W1039-T1048 VanDerWaalsContact CA-OG1 3.28Å; W1039-T1048 WeakPolarHBondContact CA-OG1 3.28Å; W1039-T1048 HydrophobicContact CE3-CG2 4.5Å; W1039-T1048 PolarHBondContact N-OG1 3.22Å; K1044-T1048 CarbonylContact O-C 3.55Å; K1044-T1048 WeakPolarHBondContact O-CA 3.32Å; K1044-T1048 PolarHBondContact O-N 2.87Å; K1044-T1048 PolarHBondContact O-OG1 3.23Å; T1048-Y1050 VanDerWaalsContact C-N 3.31Å; T1048-Y1050 PolarHBondContact O-N 3.15Å; T1048-I1051 HydrophobicContact CG2-CD1 4.38Å; T1048-M1052 WeakPolarHBondContact O-CB 3.44Å; T1048-M1052 VanDerWaalsContact O-CG 3.22Å; T1048-M1052 WeakPolarHBondContact O-CG 3.17Å; T1048-M1052 PolarHBondContact O-N 3.22Å
1049P90.1Very high89.5Confident60 Ų6068 Ų6839%0.3934%0.339SS..Hα-helixtrans-57.4-37.8-177.323.8-35000113.5E1033 K1053E1033-P1049 WeakPolarHBondContact OE1-CD 3.49Å; E1033-P1049 WeakPolarHBondContact OE1-CG 3.36Å; P1049-K1053 VanDerWaalsContact O-CB 3.31Å; P1049-K1053 WeakPolarHBondContact O-CB 3.47Å; P1049-K1053 PolarHBondContact O-N 2.63Å
1050Y90.4Very high89.5Confident70 Ų7068.5 Ų68.528%0.27534%0.343SS..Hα-helixtrans-75.5-44.1-176.6-66.4-82.5000112.5M943 S1028 P1030 E1033 T1048 M1052 K1053 T1054M943-Y1050 HydrophobicContact CE-CE2 4.16Å; S1028-Y1050 WeakPolarHBondContact O-CD1 3.01Å; P1030-Y1050 HydrophobicContact CG-CD2 3.85Å; P1030-Y1050 HydrophobicContact CG-CE2 4.24Å; E1033-Y1050 WeakPolarHBondContact OE1-CB 3.38Å; E1033-Y1050 VanDerWaalsContact OE1-CD2 3.26Å; E1033-Y1050 WeakPolarHBondContact OE1-CD2 3.45Å; E1033-Y1050 PolarHBondContact OE1-N 3.35Å; E1033-Y1050 PolarHBondContact OE2-N 2.81Å; T1048-Y1050 VanDerWaalsContact C-N 3.31Å; T1048-Y1050 PolarHBondContact O-N 3.15Å; Y1050-M1052 VanDerWaalsContact C-N 3.28Å; Y1050-M1052 PolarHBondContact O-N 3.37Å; Y1050-K1053 WeakPolarHBondContact O-CB 3.49Å; Y1050-K1053 PolarHBondContact O-N 2.97Å; Y1050-K1053 VanDerWaalsContact O-N 3.12Å; Y1050-T1054 PolarHBondContact O-N 2.9Å; Y1050-T1054 PolarHBondContact O-OG1 3.49Å
1051I92.9Very high89.8Confident4 Ų463.8 Ų63.82%0.02132%0.32CS..Hα-helixtrans-58.6-42.3171.4-69.4172.2000110.5I1029 E1033 F1034 W1039 T1048 K1053 T1054 S1055 L1162 L1166I1029-I1051 HydrophobicContact CG2-CD1 4.47Å; I1029-I1051 HydrophobicContact CG2-CG1 3.7Å; E1033-I1051 HydrophobicContact CB-CD1 3.57Å; E1033-I1051 HydrophobicContact CB-CG1 4.06Å; E1033-I1051 WeakPolarHBondContact OE2-CB 3.44Å; E1033-I1051 VanDerWaalsContact OE2-CG1 3.27Å; E1033-I1051 WeakPolarHBondContact OE2-CG1 3.49Å; E1033-I1051 PolarHBondContact OE2-N 2.96Å; F1034-I1051 HydrophobicContact CD1-CD1 3.68Å; F1034-I1051 HydrophobicContact CD1-CG1 4.48Å; F1034-I1051 HydrophobicContact CE1-CD1 3.66Å; F1034-I1051 HydrophobicContact CE1-CG1 3.97Å; W1039-I1051 HydrophobicContact CB-CG2 4.04Å; W1039-I1051 HydrophobicContact CE3-CD1 4Å; T1048-I1051 HydrophobicContact CG2-CD1 4.38Å; I1051-K1053 VanDerWaalsContact C-N 3.34Å; I1051-T1054 PolarHBondContact O-N 2.76Å; I1051-S1055 PolarHBondContact O-N 3.13Å; I1051-L1162 HydrophobicContact CG1-CD2 4.49Å; I1051-L1162 HydrophobicContact CG2-CD2 4.33Å; I1051-L1166 HydrophobicContact CD1-CD2 4.01Å; I1051-L1166 HydrophobicContact CG2-CD1 3.79Å
1052M91.4Very high90.1Very high45 Ų4560 Ų6022%0.22230%0.304CS..Hα-helixtrans-65.1-37.6176.4-70.9-58.4-50.500111.7K1044 T1048 Y1050 S1055 Q1056K1044-M1052 HydrophobicContact CB-SD 4.34Å; K1044-M1052 HydrophobicContact CD-CE 4.26Å; K1044-M1052 HydrophobicContact CD-SD 3.85Å; K1044-M1052 HydrophobicContact CG-SD 4.1Å; T1048-M1052 WeakPolarHBondContact O-CB 3.44Å; T1048-M1052 VanDerWaalsContact O-CG 3.22Å; T1048-M1052 WeakPolarHBondContact O-CG 3.17Å; T1048-M1052 PolarHBondContact O-N 3.22Å; Y1050-M1052 VanDerWaalsContact C-N 3.28Å; Y1050-M1052 PolarHBondContact O-N 3.37Å; M1052-S1055 PolarHBondContact O-N 3.09Å; M1052-Q1056 WeakPolarHBondContact O-CB 3.27Å; M1052-Q1056 PolarHBondContact O-N 3.42Å
1053K89.9Confident90.4Very high62 Ų6254.5 Ų54.527%0.2727%0.27SS..Hα-helixtrans-62.9-42.5172.9-162.5176.4-171.2-178.10111.5I991 E992 V1025 P1049 Y1050 I1051 Q1056 H1057I991-K1053 HydrophobicContact CD1-CD 3.94Å; E992-K1053 IonicContact OE1-NZ 3.61Å; E992-K1053 PolarHBondContact OE1-NZ 3.06Å; V1025-K1053 HydrophobicContact CG1-CG 4.47Å; P1049-K1053 VanDerWaalsContact O-CB 3.31Å; P1049-K1053 WeakPolarHBondContact O-CB 3.47Å; P1049-K1053 PolarHBondContact O-N 2.63Å; Y1050-K1053 WeakPolarHBondContact O-CB 3.49Å; Y1050-K1053 PolarHBondContact O-N 2.97Å; Y1050-K1053 VanDerWaalsContact O-N 3.12Å; I1051-K1053 VanDerWaalsContact C-N 3.34Å; K1053-Q1056 PolarHBondContact O-N 3.48Å; K1053-H1057 PolarHBondContact O-N 3.28Å
1054T91.4Very high90.6Very high11 Ų1152 Ų527%0.06726%0.256CS..Hα-helixtrans-63.5-46.6173.6-37.50000112V1025 I1029 Y1050 I1051 Q1056 H1057 F1058 L1162V1025-T1054 HydrophobicContact CG1-CG2 4.2Å; V1025-T1054 PolarHBondContact O-OG1 2.88Å; I1029-T1054 WeakPolarHBondContact CD1-OG1 3.38Å; Y1050-T1054 PolarHBondContact O-N 2.9Å; Y1050-T1054 PolarHBondContact O-OG1 3.49Å; I1051-T1054 PolarHBondContact O-N 2.76Å; T1054-Q1056 VanDerWaalsContact C-N 3.29Å; T1054-Q1056 PolarHBondContact O-N 2.69Å; T1054-H1057 PolarHBondContact O-N 3.05Å; T1054-F1058 PolarHBondContact O-N 2.88Å; T1054-F1058 VanDerWaalsContact O-N 3.07Å; T1054-L1162 HydrophobicContact CG2-CD2 4.07Å
1055S91.7Very high90.9Very high56 Ų5647.9 Ų47.939%0.39224%0.238SC..Hα-helixtrans-66.2-31.1178.7-172.20000112.7I1051 M1052 N1059I1051-S1055 PolarHBondContact O-N 3.13Å; M1052-S1055 PolarHBondContact O-N 3.09Å; S1055-N1059 VanDerWaalsContact O-CG 3.29Å; S1055-N1059 PolarHBondContact O-N 3.5Å; S1055-N1059 PolarHBondContact O-ND2 3.35Å; S1055-N1059 VanDerWaalsContact O-ND2 3.16Å
1056Q90.6Very high91.3Very high92 Ų9243.2 Ų43.243%0.4321%0.21SC..Hα-helixtrans-71.9-43.1173.8-170.563.14100111.1M1052 K1053 T1054 F1058 N1059 D1060M1052-Q1056 WeakPolarHBondContact O-CB 3.27Å; M1052-Q1056 PolarHBondContact O-N 3.42Å; K1053-Q1056 PolarHBondContact O-N 3.48Å; T1054-Q1056 VanDerWaalsContact C-N 3.29Å; T1054-Q1056 PolarHBondContact O-N 2.69Å; Q1056-F1058 VanDerWaalsContact C-N 3.32Å; Q1056-F1058 PolarHBondContact O-N 3.4Å; Q1056-N1059 PolarHBondContact O-N 3.48Å; Q1056-N1059 VanDerWaalsContact O-N 3.16Å; Q1056-D1060 PolarHBondContact NE2-OD1 3.27Å; Q1056-D1060 WeakPolarHBondContact O-CB 3.41Å; Q1056-D1060 PolarHBondContact O-N 3.13Å
1057H91.2Very high91.5Very high24 Ų2435.6 Ų35.611%0.11117%0.174CC..Hα-helixtrans-57.3-45.9177-172.947.5000111.7L1021 D1022 K1053 T1054 N1059 D1060 M1061L1021-H1057 WeakPolarHBondContact CB-NE2 3.42Å; D1022-H1057 IonicContact OD1-CD2 3.02Å; K1053-H1057 PolarHBondContact O-N 3.28Å; T1054-H1057 PolarHBondContact O-N 3.05Å; H1057-N1059 VanDerWaalsContact C-N 3.32Å; H1057-N1059 PolarHBondContact O-N 2.88Å; H1057-D1060 PolarHBondContact O-N 3.01Å; H1057-M1061 WeakPolarHBondContact O-CB 3.48Å; H1057-M1061 PolarHBondContact O-N 2.83Å
1058F93.4Very high92Very high26 Ų2629.5 Ų29.511%0.11415%0.152CC..Hα-helixtrans-56.6-43.3175.5179.5-81.9000113.2T1054 Q1056 S1062 N1099 L1102 E1103 Y1161T1054-F1058 PolarHBondContact O-N 2.88Å; T1054-F1058 VanDerWaalsContact O-N 3.07Å; Q1056-F1058 VanDerWaalsContact C-N 3.32Å; Q1056-F1058 PolarHBondContact O-N 3.4Å; F1058-S1062 VanDerWaalsContact O-CB 3.25Å; F1058-S1062 WeakPolarHBondContact O-CB 3.37Å; F1058-S1062 PolarHBondContact O-N 3.37Å; F1058-N1099 WeakPolarHBondContact CD2-OD1 3.42Å; F1058-L1102 HydrophobicContact CE2-CB 4.29Å; F1058-L1102 HydrophobicContact CE2-CD2 4.27Å; F1058-L1102 HydrophobicContact CE2-CG 4.19Å; F1058-L1102 HydrophobicContact CZ-CD2 4.21Å; F1058-L1102 HydrophobicContact CZ-CG 4.05Å; F1058-E1103 VanDerWaalsContact CA-OE1 3.26Å; F1058-E1103 WeakPolarHBondContact CA-OE1 3.24Å; F1058-E1103 HydrophobicContact CB-CG 4.45Å; F1058-E1103 HydrophobicContact CD2-CG 3.24Å; F1058-E1103 HydrophobicContact CE2-CB 4.39Å; F1058-E1103 HydrophobicContact CE2-CG 3.44Å; F1058-E1103 VanDerWaalsContact CE2-CG 3.44Å; F1058-E1103 HydrophobicContact CG-CG 3.85Å; F1058-E1103 HydrophobicContact CZ-CG 4.17Å; F1058-Y1161 HydrophobicContact CD2-CD2 4.45Å; F1058-Y1161 HydrophobicContact CD2-CE2 4.25Å; F1058-Y1161 AromaticContact CE2-CD2 3.98Å; F1058-Y1161 HydrophobicContact CE2-CD2 3.98Å; F1058-Y1161 AromaticContact CE2-CE2 3.78Å; F1058-Y1161 HydrophobicContact CE2-CE2 3.78Å; F1058-Y1161 HydrophobicContact CZ-CE2 4.05Å
1059N92Very high92.1Very high67 Ų6729.5 Ų29.536%0.35815%0.152SC..Hα-helixtrans-70.3-45.1178-70.3-24.9000111.6S1055 Q1056 H1057 S1062 N1063S1055-N1059 VanDerWaalsContact O-CG 3.29Å; S1055-N1059 PolarHBondContact O-N 3.5Å; S1055-N1059 PolarHBondContact O-ND2 3.35Å; S1055-N1059 VanDerWaalsContact O-ND2 3.16Å; Q1056-N1059 PolarHBondContact O-N 3.48Å; Q1056-N1059 VanDerWaalsContact O-N 3.16Å; H1057-N1059 VanDerWaalsContact C-N 3.32Å; H1057-N1059 PolarHBondContact O-N 2.88Å; N1059-S1062 PolarHBondContact O-N 3.29Å; N1059-N1063 WeakPolarHBondContact O-CB 3.25Å; N1059-N1063 PolarHBondContact O-N 2.82Å; N1059-N1063 PolarHBondContact O-ND2 3.09Å; N1059-N1063 PolarHBondContact O-OD1 2.71Å
1060D91.1Very high92.2Very high38 Ų3826.7 Ų26.720%0.20313%0.134CC..Hα-helixtrans-61.5-45.2178.7-75-0.6000110.8Q1056 H1057 N1063 L1064 K1223Q1056-D1060 PolarHBondContact NE2-OD1 3.27Å; Q1056-D1060 WeakPolarHBondContact O-CB 3.41Å; Q1056-D1060 PolarHBondContact O-N 3.13Å; H1057-D1060 PolarHBondContact O-N 3.01Å; D1060-N1063 WeakPolarHBondContact O-CB 3.38Å; D1060-N1063 PolarHBondContact O-N 2.8Å; D1060-L1064 WeakPolarHBondContact O-CB 3.23Å; D1060-L1064 PolarHBondContact O-N 3.08Å; D1060-K1223 IonicContact OD2-NZ 3.89Å; D1060-K1223 PolarHBondContact OD2-NZ 2.82Å
1061M93Very high92.1Very high1 Ų126.4 Ų26.41%0.00514%0.142CC..Hα-helixtrans-60.6-47.1174-83.6-57-48.400112.3I1018 H1057 N1063 L1064 V1065 E1103 L1220I1018-M1061 HydrophobicContact CD1-CE 3.63Å; I1018-M1061 HydrophobicContact CG1-CE 3.66Å; I1018-M1061 HydrophobicContact CG1-SD 4.47Å; I1018-M1061 HydrophobicContact CG2-CE 4.42Å; H1057-M1061 WeakPolarHBondContact O-CB 3.48Å; H1057-M1061 PolarHBondContact O-N 2.83Å; M1061-N1063 VanDerWaalsContact C-N 3.3Å; M1061-N1063 PolarHBondContact O-N 2.95Å; M1061-L1064 PolarHBondContact O-N 3.42Å; M1061-V1065 WeakPolarHBondContact O-CG2 3.44Å; M1061-V1065 PolarHBondContact O-N 3.12Å; M1061-V1065 VanDerWaalsContact O-N 3.08Å; M1061-E1103 VanDerWaalsContact CB-OE2 3.26Å; M1061-E1103 WeakPolarHBondContact CB-OE2 3.48Å; M1061-L1220 HydrophobicContact CE-CD2 4Å; M1061-L1220 HydrophobicContact SD-CB 4.42Å; M1061-L1220 HydrophobicContact SD-CD2 4.21Å
1062S93.7Very high91.9Very high3 Ų327.3 Ų27.32%0.02115%0.146CC..Hα-helixtrans-65.4-32.6177.1-1710000112.4F1058 N1059 A1066 E1103 A1107 R1110F1058-S1062 VanDerWaalsContact O-CB 3.25Å; F1058-S1062 WeakPolarHBondContact O-CB 3.37Å; F1058-S1062 PolarHBondContact O-N 3.37Å; N1059-S1062 PolarHBondContact O-N 3.29Å; S1062-A1066 PolarHBondContact O-N 3.01Å; S1062-E1103 PolarHBondContact OG-O 3.11Å; S1062-A1107 WeakPolarHBondContact O-CB 3.4Å; S1062-A1107 PolarHBondContact OG-N 3.39Å; S1062-R1110 PolarHBondContact O-NH2 3.37Å; S1062-R1110 PolarHBondContact OG-NH2 3.4Å
1063N92.8Very high91.6Very high35 Ų3531.2 Ų31.219%0.18717%0.173CC..Hα-helixtrans-68.2-43.9173.6-68.7-18.5000111.1N1059 D1060 M1061 A1066 S1067 R1110N1059-N1063 WeakPolarHBondContact O-CB 3.25Å; N1059-N1063 PolarHBondContact O-N 2.82Å; N1059-N1063 PolarHBondContact O-ND2 3.09Å; N1059-N1063 PolarHBondContact O-OD1 2.71Å; D1060-N1063 WeakPolarHBondContact O-CB 3.38Å; D1060-N1063 PolarHBondContact O-N 2.8Å; M1061-N1063 VanDerWaalsContact C-N 3.3Å; M1061-N1063 PolarHBondContact O-N 2.95Å; N1063-A1066 PolarHBondContact O-N 3.2Å; N1063-S1067 WeakPolarHBondContact O-CB 3.5Å; N1063-S1067 PolarHBondContact O-N 3.09Å; N1063-S1067 PolarHBondContact O-OG 3.2Å; N1063-R1110 PolarHBondContact OD1-NH1 2.97Å; N1063-R1110 PolarHBondContact OD1-NH2 3.21Å
1064L93.1Very high91.6Very high2 Ų231.9 Ų31.91%0.0118%0.179CC..Hα-helixtrans-61-47.4178.8179.765000111.6D1060 M1061 A1066 S1067 Q1068 Y1219 L1220 L1225 T1226D1060-L1064 WeakPolarHBondContact O-CB 3.23Å; D1060-L1064 PolarHBondContact O-N 3.08Å; M1061-L1064 PolarHBondContact O-N 3.42Å; L1064-A1066 VanDerWaalsContact C-N 3.28Å; L1064-A1066 PolarHBondContact O-N 3.48Å; L1064-S1067 PolarHBondContact O-N 2.77Å; L1064-Q1068 WeakPolarHBondContact O-CB 3.47Å; L1064-Q1068 PolarHBondContact O-N 3.09Å; L1064-Y1219 HydrophobicContact CD2-CE1 4.46Å; L1064-L1220 HydrophobicContact CD2-CD2 4.37Å; L1064-L1225 HydrophobicContact CD1-CB 3.62Å; L1064-L1225 HydrophobicContact CD1-CD1 4.21Å; L1064-T1226 HydrophobicContact CB-CG2 4.28Å; L1064-T1226 HydrophobicContact CD1-CG2 4.39Å
1065V94.6Very high91.6Very high0 Ų033.1 Ų33.10%019%0.187CC..Hα-helixtrans-56-44.7175.8173.50000110.9M1061 I1069 W1085 I1104 A1107M1061-V1065 WeakPolarHBondContact O-CG2 3.44Å; M1061-V1065 PolarHBondContact O-N 3.12Å; M1061-V1065 VanDerWaalsContact O-N 3.08Å; V1065-I1069 HydrophobicContact CG1-CD1 4.07Å; V1065-I1069 WeakPolarHBondContact O-CD1 3.43Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.42Å; V1065-I1069 PolarHBondContact O-N 2.84Å; V1065-W1085 HydrophobicContact CB-CD2 4.47Å; V1065-W1085 HydrophobicContact CG1-CD2 3.94Å; V1065-W1085 HydrophobicContact CG1-CE3 4.46Å; V1065-W1085 HydrophobicContact CG1-CG 3.96Å; V1065-W1085 HydrophobicContact CG2-CD2 4.02Å; V1065-W1085 HydrophobicContact CG2-CE3 3.87Å; V1065-W1085 HydrophobicContact CG2-CH2 3.81Å; V1065-W1085 HydrophobicContact CG2-CZ2 3.94Å; V1065-W1085 HydrophobicContact CG2-CZ3 3.77Å; V1065-I1104 HydrophobicContact CG1-CG2 4.44Å; V1065-I1104 HydrophobicContact CG2-CG1 4.13Å; V1065-A1107 HydrophobicContact CB-CB 3.75Å; V1065-A1107 HydrophobicContact CG1-CB 3.57Å
1066A94Very high91.6Very high1 Ų131.3 Ų31.31%0.00818%0.176CC..Hα-helixtrans-67.1-45.2178.900000112.6S1062 N1063 L1064 I1069 M1070 I1113 L1232S1062-A1066 PolarHBondContact O-N 3.01Å; N1063-A1066 PolarHBondContact O-N 3.2Å; L1064-A1066 VanDerWaalsContact C-N 3.28Å; L1064-A1066 PolarHBondContact O-N 3.48Å; A1066-I1069 PolarHBondContact O-N 2.75Å; A1066-M1070 WeakPolarHBondContact O-CB 3.34Å; A1066-M1070 VanDerWaalsContact O-CG 3.3Å; A1066-M1070 WeakPolarHBondContact O-CG 3.44Å; A1066-M1070 PolarHBondContact O-N 2.88Å; A1066-I1113 HydrophobicContact CB-CD1 3.88Å; A1066-L1232 HydrophobicContact CB-CD1 4.11Å
1067S92.9Very high91.6Very high2 Ų229.6 Ų29.61%0.01418%0.175CC..Hα-helixtrans-64.2-42.5-180-51.60000111.6N1063 L1064 I1069 M1070 S1071 L1225 M1227N1063-S1067 WeakPolarHBondContact O-CB 3.5Å; N1063-S1067 PolarHBondContact O-N 3.09Å; N1063-S1067 PolarHBondContact O-OG 3.2Å; L1064-S1067 PolarHBondContact O-N 2.77Å; S1067-I1069 PolarHBondContact O-N 3.12Å; S1067-M1070 PolarHBondContact O-N 3Å; S1067-S1071 PolarHBondContact O-N 3.02Å; S1067-L1225 WeakPolarHBondContact CB-O 3.47Å; S1067-M1227 PolarHBondContact OG-N 3.27Å
1068Q91.9Very high91.8Very high20 Ų2028.6 Ų28.69%0.09317%0.17CC..Hα-helixtrans-61.3-41.6174.9-176.359.264.200112.1F1006 L1064 S1071 H1072 Y1219F1006-Q1068 VanDerWaalsContact CB-CD 3.46Å; F1006-Q1068 HydrophobicContact CB-CG 4.05Å; F1006-Q1068 HydrophobicContact CD1-CG 3.82Å; F1006-Q1068 HydrophobicContact CD2-CG 3.93Å; F1006-Q1068 HydrophobicContact CE1-CG 4.2Å; F1006-Q1068 HydrophobicContact CE2-CG 4.3Å; F1006-Q1068 HydrophobicContact CG-CG 3.66Å; F1006-Q1068 HydrophobicContact CZ-CG 4.41Å; L1064-Q1068 WeakPolarHBondContact O-CB 3.47Å; L1064-Q1068 PolarHBondContact O-N 3.09Å; Q1068-S1071 PolarHBondContact NE2-OG 3.3Å; Q1068-S1071 PolarHBondContact O-OG 3.47Å; Q1068-H1072 PolarHBondContact NE2-CE1 3.23Å; Q1068-H1072 VanDerWaalsContact NE2-CE1 3.35Å; Q1068-H1072 PolarHBondContact NE2-NE2 3.4Å; Q1068-H1072 PolarHBondContact O-CD2 3.14Å; Q1068-H1072 PolarHBondContact O-NE2 3.29Å; Q1068-Y1219 WeakPolarHBondContact CG-OH 3.35Å; Q1068-Y1219 PolarHBondContact OE1-OH 3.01Å
1069I92.9Very high91.8Very high0 Ų027.6 Ų27.60%017%0.167CC..Hα-helixtrans-67.5-39.5176.3-69.2163.2000110.6V1065 A1066 S1067 R1078 I1082 L1108 I1113V1065-I1069 HydrophobicContact CG1-CD1 4.07Å; V1065-I1069 WeakPolarHBondContact O-CD1 3.43Å; V1065-I1069 WeakPolarHBondContact O-CG1 3.42Å; V1065-I1069 PolarHBondContact O-N 2.84Å; A1066-I1069 PolarHBondContact O-N 2.75Å; S1067-I1069 PolarHBondContact O-N 3.12Å; I1069-R1078 WeakPolarHBondContact O-CG 3.2Å; I1069-I1082 HydrophobicContact CD1-CG1 3.96Å; I1069-I1082 HydrophobicContact CG1-CG1 4.24Å; I1069-I1082 HydrophobicContact CG2-CD1 4.23Å; I1069-I1082 HydrophobicContact CG2-CG1 3.97Å; I1069-L1108 HydrophobicContact CD1-CD2 3.64Å; I1069-I1113 HydrophobicContact CB-CD1 4.37Å; I1069-I1113 HydrophobicContact CD1-CD1 3.99Å; I1069-I1113 HydrophobicContact CG2-CD1 4.4Å; I1069-I1113 HydrophobicContact CG2-CG2 4.21Å
1070M90.7Very high91.9Very high1 Ų127.8 Ų27.81%0.00517%0.173CC..Hα-helixtrans-74-25-177.9-72.8-52.3-53.200114.2A1066 S1067 H1072 L1116 L1232 L1235 S1236 I1239A1066-M1070 WeakPolarHBondContact O-CB 3.34Å; A1066-M1070 VanDerWaalsContact O-CG 3.3Å; A1066-M1070 WeakPolarHBondContact O-CG 3.44Å; A1066-M1070 PolarHBondContact O-N 2.88Å; S1067-M1070 PolarHBondContact O-N 3Å; M1070-H1072 VanDerWaalsContact C-N 3.26Å; M1070-H1072 PolarHBondContact O-N 3.44Å; M1070-L1116 HydrophobicContact SD-CD1 3.93Å; M1070-L1232 HydrophobicContact CB-CD2 3.83Å; M1070-L1232 HydrophobicContact CG-CD2 3.65Å; M1070-L1235 HydrophobicContact CB-CD2 4.23Å; M1070-L1235 HydrophobicContact CE-CB 4.14Å; M1070-L1235 HydrophobicContact CE-CD2 4.36Å; M1070-L1235 HydrophobicContact CE-CG 3.92Å; M1070-S1236 VanDerWaalsContact CE-CA 3.5Å; M1070-I1239 HydrophobicContact CE-CD1 3.98Å
1071S89.3Confident92.1Very high65 Ų6526.1 Ų26.146%0.45516%0.164SC..Hα-helixtrans-63.7-2717973.60000114.1S1067 Q1068 T1073S1067-S1071 PolarHBondContact O-N 3.02Å; Q1068-S1071 PolarHBondContact NE2-OG 3.3Å; Q1068-S1071 PolarHBondContact O-OG 3.47Å; S1071-T1073 PolarHBondContact O-N 2.89Å
1072H88.5Confident92.2Very high23 Ų2326 Ų2611%0.10616%0.164CC..  trans-81117.5-176.8-52.1-68.9000111.8E1007 Q1068 M1070 R1078 S1081E1007-H1072 IonicContact OE1-CE1 2.66Å; E1007-H1072 PolarHBondContact OE1-CE1 2.84Å; E1007-H1072 VanDerWaalsContact OE1-CE1 3.22Å; E1007-H1072 IonicContact OE1-ND1 2.63Å; Q1068-H1072 PolarHBondContact NE2-CE1 3.23Å; Q1068-H1072 VanDerWaalsContact NE2-CE1 3.35Å; Q1068-H1072 PolarHBondContact NE2-NE2 3.4Å; Q1068-H1072 PolarHBondContact O-CD2 3.14Å; Q1068-H1072 PolarHBondContact O-NE2 3.29Å; M1070-H1072 VanDerWaalsContact C-N 3.26Å; M1070-H1072 PolarHBondContact O-N 3.44Å; H1072-R1078 HydrophobicContact CB-CG 3.77Å; H1072-R1078 WeakPolarHBondContact O-CD 3.47Å; H1072-R1078 WeakPolarHBondContact O-CG 3.42Å; H1072-R1078 PolarHBondContact O-NH1 2.88Å; H1072-S1081 PolarHBondContact NE2-OG 3.25Å
1073T84.4Confident92.3Very high126 Ų12629 Ų2977%0.77318%0.178SC*.  trans-72.1-33.618051.90000113.6S1071 R1078S1071-T1073 PolarHBondContact O-N 2.89Å; T1073-R1078 PolarHBondContact O-NH1 3.14Å
1074D90.2Very high92.5Very high77 Ų7729.3 Ų29.341%0.41218%0.177SC..SBendtrans-79.7140.8175173.449.9000113.6G1076 S1077 R1078D1074-G1076 VanDerWaalsContact C-N 3.34Å; D1074-G1076 PolarHBondContact O-N 3.11Å; D1074-G1076 PolarHBondContact OD1-N 3.32Å; D1074-G1076 WeakPolarHBondContact OD2-CA 3.46Å; D1074-G1076 PolarHBondContact OD2-N 3.01Å; D1074-S1077 PolarHBondContact O-N 2.85Å; D1074-S1077 PolarHBondContact OD2-N 3.03Å; D1074-R1078 WeakPolarHBondContact O-CG 3.47Å; D1074-R1078 PolarHBondContact O-N 3.23Å; D1074-R1078 PolarHBondContact O-NH1 3.4Å
1075V91.9Very high92.7Very high37 Ų3729.2 Ų29.222%0.22418%0.177CC..Hα-helixtrans-63.5-34.9176.9-165.20000112.2A1079 K1118 K1122V1075-A1079 WeakPolarHBondContact O-CB 2.87Å; V1075-A1079 PolarHBondContact O-N 3.1Å; V1075-A1079 VanDerWaalsContact O-N 3.08Å; V1075-K1118 HydrophobicContact CG1-CB 4.43Å; V1075-K1122 HydrophobicContact CB-CD 4.24Å; V1075-K1122 HydrophobicContact CG1-CD 3.91Å; V1075-K1122 HydrophobicContact CG1-CG 4.29Å
1076G91Very high92.8Very high17 Ų1729.3 Ų29.318%0.17518%0.177CC..Hα-helixtrans-71.8-46.3176.500000112.6D1074 A1079 S1080D1074-G1076 VanDerWaalsContact C-N 3.34Å; D1074-G1076 PolarHBondContact O-N 3.11Å; D1074-G1076 PolarHBondContact OD1-N 3.32Å; D1074-G1076 WeakPolarHBondContact OD2-CA 3.46Å; D1074-G1076 PolarHBondContact OD2-N 3.01Å; G1076-A1079 PolarHBondContact O-N 3.05Å; G1076-S1080 WeakPolarHBondContact O-CB 3.45Å; G1076-S1080 PolarHBondContact O-N 3.05Å; G1076-S1080 PolarHBondContact O-OG 2.87Å
1077S91.8Very high93Very high57 Ų5731.1 Ų31.140%0.39919%0.192SC..Hα-helixtrans-58.7-45.9172.6-61.40000112.1D1074 A1079 S1080 S1081D1074-S1077 PolarHBondContact O-N 2.85Å; D1074-S1077 PolarHBondContact OD2-N 3.03Å; S1077-A1079 PolarHBondContact O-N 2.82Å; S1077-S1080 PolarHBondContact O-N 2.99Å; S1077-S1081 WeakPolarHBondContact O-CB 3.48Å; S1077-S1081 PolarHBondContact O-N 2.89Å
1078R94.3Very high93.2Very high2 Ų231 Ų311%0.00819%0.192CC..Hα-helixtrans-59.6-45.7173.9-73.6-163.6-60-78.63.5113.4I1069 H1072 T1073 D1074 S1080 S1081 I1082 T1119 I1239 E1240I1069-R1078 WeakPolarHBondContact O-CG 3.2Å; H1072-R1078 HydrophobicContact CB-CG 3.77Å; H1072-R1078 WeakPolarHBondContact O-CD 3.47Å; H1072-R1078 WeakPolarHBondContact O-CG 3.42Å; H1072-R1078 PolarHBondContact O-NH1 2.88Å; T1073-R1078 PolarHBondContact O-NH1 3.14Å; D1074-R1078 WeakPolarHBondContact O-CG 3.47Å; D1074-R1078 PolarHBondContact O-N 3.23Å; D1074-R1078 PolarHBondContact O-NH1 3.4Å; R1078-S1080 VanDerWaalsContact C-N 3.28Å; R1078-S1080 PolarHBondContact O-N 3.35Å; R1078-S1081 WeakPolarHBondContact O-CB 3.35Å; R1078-S1081 PolarHBondContact O-N 3.38Å; R1078-I1082 WeakPolarHBondContact O-CG1 3.28Å; R1078-I1082 PolarHBondContact O-N 3.3Å; R1078-T1119 HydrophobicContact CB-CG2 3.49Å; R1078-T1119 VanDerWaalsContact CB-CG2 3.49Å; R1078-T1119 PolarHBondContact NE-OG1 2.9Å; R1078-T1119 PolarHBondContact NH2-OG1 2.93Å; R1078-T1119 VanDerWaalsContact NH2-OG1 3.15Å; R1078-I1239 VanDerWaalsContact NH1-CG2 3.3Å; R1078-I1239 VanDerWaalsContact NH2-CG2 3.27Å; R1078-E1240 IonicContact NH2-OE1 2.64Å
1079A94.9Very high93.5Very high5 Ų530 Ų304%0.04119%0.187CC..Hα-helixtrans-60.9-40.8177.700000111.4V1075 G1076 S1077 I1082 E1083 T1119 K1122 V1123V1075-A1079 WeakPolarHBondContact O-CB 2.87Å; V1075-A1079 PolarHBondContact O-N 3.1Å; V1075-A1079 VanDerWaalsContact O-N 3.08Å; G1076-A1079 PolarHBondContact O-N 3.05Å; S1077-A1079 PolarHBondContact O-N 2.82Å; A1079-I1082 PolarHBondContact O-N 3.28Å; A1079-E1083 WeakPolarHBondContact O-CG 3.46Å; A1079-E1083 PolarHBondContact O-N 3.23Å; A1079-T1119 HydrophobicContact CB-CG2 4.47Å; A1079-K1122 HydrophobicContact CB-CB 3.7Å; A1079-V1123 HydrophobicContact CB-CG2 3.86Å
1080S93.9Very high93.7Very high71 Ų7131.7 Ų31.750%0.49720%0.196SC..Hα-helixtrans-66.5-36.6177-51.90000112.2G1076 S1077 R1078 E1083 K1084G1076-S1080 WeakPolarHBondContact O-CB 3.45Å; G1076-S1080 PolarHBondContact O-N 3.05Å; G1076-S1080 PolarHBondContact O-OG 2.87Å; S1077-S1080 PolarHBondContact O-N 2.99Å; R1078-S1080 VanDerWaalsContact C-N 3.28Å; R1078-S1080 PolarHBondContact O-N 3.35Å; S1080-E1083 PolarHBondContact O-N 3.47Å; S1080-K1084 WeakPolarHBondContact O-CB 3.33Å; S1080-K1084 PolarHBondContact O-N 3.45Å
1081S94.8Very high94Very high3 Ų333.5 Ų33.52%0.02121%0.205CC..Hα-helixtrans-65-44.6174.2-171.80000111.8F1006 H1072 S1077 R1078 E1083 K1084 W1085F1006-S1081 VanDerWaalsContact CE1-OG 3.29Å; F1006-S1081 WeakPolarHBondContact CE1-OG 3.4Å; H1072-S1081 PolarHBondContact NE2-OG 3.25Å; S1077-S1081 WeakPolarHBondContact O-CB 3.48Å; S1077-S1081 PolarHBondContact O-N 2.89Å; R1078-S1081 WeakPolarHBondContact O-CB 3.35Å; R1078-S1081 PolarHBondContact O-N 3.38Å; S1081-E1083 PolarHBondContact O-N 2.97Å; S1081-K1084 PolarHBondContact O-N 2.66Å; S1081-W1085 VanDerWaalsContact O-CD1 3.25Å; S1081-W1085 PolarHBondContact O-N 2.9Å
1082I95.7Very high94.4Very high0 Ų030.4 Ų30.40%018%0.184CC..Hα-helixtrans-60.6-45.1172.5-68.4167.4000111.2I1069 R1078 A1079 K1084 W1085 V1086 L1108 I1113 T1119 W1120 V1123I1069-I1082 HydrophobicContact CD1-CG1 3.96Å; I1069-I1082 HydrophobicContact CG1-CG1 4.24Å; I1069-I1082 HydrophobicContact CG2-CD1 4.23Å; I1069-I1082 HydrophobicContact CG2-CG1 3.97Å; R1078-I1082 WeakPolarHBondContact O-CG1 3.28Å; R1078-I1082 PolarHBondContact O-N 3.3Å; A1079-I1082 PolarHBondContact O-N 3.28Å; I1082-K1084 VanDerWaalsContact C-N 3.31Å; I1082-K1084 PolarHBondContact O-N 3.02Å; I1082-W1085 PolarHBondContact O-N 3.39Å; I1082-V1086 HydrophobicContact CG2-CG2 4.47Å; I1082-V1086 WeakPolarHBondContact O-CG2 3.25Å; I1082-V1086 PolarHBondContact O-N 2.98Å; I1082-L1108 HydrophobicContact CB-CD2 4.46Å; I1082-L1108 HydrophobicContact CG1-CD2 4.06Å; I1082-L1108 HydrophobicContact CG2-CD2 4Å; I1082-I1113 HydrophobicContact CD1-CG2 4.3Å; I1082-T1119 HydrophobicContact CD1-CG2 3.79Å; I1082-W1120 HydrophobicContact CD1-CZ2 4.41Å; I1082-W1120 HydrophobicContact CG2-CH2 3.91Å; I1082-W1120 HydrophobicContact CG2-CZ3 3.82Å; I1082-V1123 HydrophobicContact CB-CG2 4.24Å; I1082-V1123 HydrophobicContact CD1-CG2 4.44Å; I1082-V1123 HydrophobicContact CG2-CG1 4.48Å; I1082-V1123 HydrophobicContact CG2-CG2 4.05Å
1083E95.7Very high94.7Very high65 Ų6531.9 Ų31.930%0.30419%0.188SC..Hα-helixtrans-60.9-39.9177.7-72.9-174.7162.400112.6A1079 S1080 S1081 A1087 V1123 S1124 T1127A1079-E1083 WeakPolarHBondContact O-CG 3.46Å; A1079-E1083 PolarHBondContact O-N 3.23Å; S1080-E1083 PolarHBondContact O-N 3.47Å; S1081-E1083 PolarHBondContact O-N 2.97Å; E1083-A1087 PolarHBondContact O-N 3.2Å; E1083-A1087 VanDerWaalsContact O-N 3.11Å; E1083-V1123 HydrophobicContact CG-CG1 4Å; E1083-S1124 VanDerWaalsContact OE1-CB 3.29Å; E1083-S1124 WeakPolarHBondContact OE1-CB 3.31Å; E1083-S1124 PolarHBondContact OE1-N 2.66Å; E1083-T1127 HydrophobicContact CB-CG2 4.28Å; E1083-T1127 HydrophobicContact CG-CG2 3.84Å
1084K95.6Very high95.2Very high41 Ų4129.8 Ų29.818%0.17818%0.178CC..Hα-helixtrans-65.9-45.4174.9-176.6169.7175178.20112.3F1006 L1009 S1080 S1081 I1082 V1086 A1087 V1088F1006-K1084 HydrophobicContact CE1-CD 3.89Å; F1006-K1084 HydrophobicContact CE2-CD 4.18Å; F1006-K1084 HydrophobicContact CZ-CB 4.21Å; F1006-K1084 HydrophobicContact CZ-CD 3.61Å; F1006-K1084 HydrophobicContact CZ-CG 3.96Å; F1006-K1084 PolarHBondContact O-NZ 3.47Å; L1009-K1084 WeakPolarHBondContact O-CE 3.31Å; L1009-K1084 PolarHBondContact O-NZ 3.2Å; S1080-K1084 WeakPolarHBondContact O-CB 3.33Å; S1080-K1084 PolarHBondContact O-N 3.45Å; S1081-K1084 PolarHBondContact O-N 2.66Å; I1082-K1084 VanDerWaalsContact C-N 3.31Å; I1082-K1084 PolarHBondContact O-N 3.02Å; K1084-V1086 PolarHBondContact O-N 3.35Å; K1084-A1087 WeakPolarHBondContact O-CB 3.33Å; K1084-A1087 PolarHBondContact O-N 3.06Å; K1084-A1087 VanDerWaalsContact O-N 3.15Å; K1084-V1088 WeakPolarHBondContact O-CG2 3.24Å; K1084-V1088 PolarHBondContact O-N 3Å
1085W97.1Very high95.5Very high0 Ų028 Ų280%017%0.168CC..Hα-helixtrans-64.5-38.3177.6-80.4118.7000112.9F1006 I1018 V1065 S1081 I1082 A1087 V1088 A1089 I1104F1006-W1085 HydrophobicContact CD2-CZ2 4.18Å; F1006-W1085 HydrophobicContact CE2-CD2 4.27Å; F1006-W1085 AromaticContact CE2-CE2 3.5Å; F1006-W1085 VanDerWaalsContact CE2-CE2 3.5Å; F1006-W1085 HydrophobicContact CE2-CH2 4.31Å; F1006-W1085 AromaticContact CE2-CZ2 3.54Å; F1006-W1085 HydrophobicContact CE2-CZ2 3.54Å; F1006-W1085 AromaticContact CE2-NE1 3.57Å; F1006-W1085 AromaticContact CZ-CD1 3.77Å; F1006-W1085 HydrophobicContact CZ-CD2 4.33Å; F1006-W1085 AromaticContact CZ-CE2 3.75Å; F1006-W1085 HydrophobicContact CZ-CG 4.36Å; F1006-W1085 HydrophobicContact CZ-CZ2 4.26Å; F1006-W1085 AromaticContact CZ-NE1 3.36Å; I1018-W1085 HydrophobicContact CD1-CZ3 3.99Å; V1065-W1085 HydrophobicContact CB-CD2 4.47Å; V1065-W1085 HydrophobicContact CG1-CD2 3.94Å; V1065-W1085 HydrophobicContact CG1-CE3 4.46Å; V1065-W1085 HydrophobicContact CG1-CG 3.96Å; V1065-W1085 HydrophobicContact CG2-CD2 4.02Å; V1065-W1085 HydrophobicContact CG2-CE3 3.87Å; V1065-W1085 HydrophobicContact CG2-CH2 3.81Å; V1065-W1085 HydrophobicContact CG2-CZ2 3.94Å; V1065-W1085 HydrophobicContact CG2-CZ3 3.77Å; S1081-W1085 VanDerWaalsContact O-CD1 3.25Å; S1081-W1085 PolarHBondContact O-N 2.9Å; I1082-W1085 PolarHBondContact O-N 3.39Å; W1085-A1087 VanDerWaalsContact C-N 3.29Å; W1085-A1087 PolarHBondContact O-N 2.95Å; W1085-V1088 HydrophobicContact CE3-CB 4.15Å; W1085-V1088 HydrophobicContact CE3-CG1 4.2Å; W1085-V1088 HydrophobicContact CE3-CG2 4.24Å; W1085-V1088 HydrophobicContact CZ3-CG1 4.19Å; W1085-V1088 PolarHBondContact O-N 3.27Å; W1085-A1089 PolarHBondContact O-N 3.17Å; W1085-I1104 HydrophobicContact CB-CG2 4.04Å; W1085-I1104 HydrophobicContact CE3-CD1 4.06Å; W1085-I1104 HydrophobicContact CE3-CG1 4.17Å; W1085-I1104 HydrophobicContact CZ3-CD1 4.38Å
1086V97.4Very high95.7Very high2 Ų228.3 Ų28.31%0.01217%0.169CC..Hα-helixtrans-64.6-33.8172.8174.60000111.7I1082 K1084 A1089 D1090 L1108 T1127 L1130 M1131 L1134I1082-V1086 HydrophobicContact CG2-CG2 4.47Å; I1082-V1086 WeakPolarHBondContact O-CG2 3.25Å; I1082-V1086 PolarHBondContact O-N 2.98Å; K1084-V1086 PolarHBondContact O-N 3.35Å; V1086-A1089 PolarHBondContact O-N 3.08Å; V1086-D1090 PolarHBondContact O-N 2.94Å; V1086-D1090 VanDerWaalsContact O-N 3.13Å; V1086-L1108 HydrophobicContact CG2-CD1 3.61Å; V1086-T1127 HydrophobicContact CB-CG2 3.73Å; V1086-T1127 HydrophobicContact CG1-CG2 3.78Å; V1086-T1127 HydrophobicContact CG2-CG2 4Å; V1086-L1130 HydrophobicContact CG1-CB 4.28Å; V1086-L1130 HydrophobicContact CG1-CD2 4.14Å; V1086-L1130 HydrophobicContact CG1-CG 4.08Å; V1086-M1131 HydrophobicContact CG1-CB 4.21Å; V1086-M1131 HydrophobicContact CG2-CB 4.19Å; V1086-M1131 HydrophobicContact CG2-CG 4.29Å; V1086-M1131 HydrophobicContact CG2-SD 4.49Å; V1086-L1134 HydrophobicContact CG1-CD1 4.29Å
1087A97.1Very high96Very high39 Ų3927.5 Ų27.532%0.32216%0.16SC..Hα-helixtrans-68.3-42.4172.900000112.6A1011 E1083 K1084 W1085 A1089 D1090 I1091A1011-A1087 HydrophobicContact CB-CB 4.44Å; E1083-A1087 PolarHBondContact O-N 3.2Å; E1083-A1087 VanDerWaalsContact O-N 3.11Å; K1084-A1087 WeakPolarHBondContact O-CB 3.33Å; K1084-A1087 PolarHBondContact O-N 3.06Å; K1084-A1087 VanDerWaalsContact O-N 3.15Å; W1085-A1087 VanDerWaalsContact C-N 3.29Å; W1085-A1087 PolarHBondContact O-N 2.95Å; A1087-A1089 VanDerWaalsContact C-N 3.29Å; A1087-A1089 PolarHBondContact O-N 3.3Å; A1087-D1090 PolarHBondContact O-N 3.44Å; A1087-I1091 WeakPolarHBondContact O-CG1 3.42Å; A1087-I1091 PolarHBondContact O-N 2.96Å; A1087-I1091 VanDerWaalsContact O-N 3.11Å
1088V97.8Very high96.2Very high0 Ų025.4 Ų25.40%014%0.144CC..Hα-helixtrans-55.2-46.7171.5174.10000110A1011 L1014 A1015 I1018 K1084 W1085 D1090 I1091 C1092 I1104A1011-V1088 HydrophobicContact CB-CG2 3.83Å; L1014-V1088 HydrophobicContact CB-CG1 4.35Å; L1014-V1088 HydrophobicContact CB-CG2 4.01Å; L1014-V1088 HydrophobicContact CD1-CG2 4.17Å; A1015-V1088 HydrophobicContact CB-CG1 3.97Å; I1018-V1088 HydrophobicContact CD1-CG1 4.03Å; K1084-V1088 WeakPolarHBondContact O-CG2 3.24Å; K1084-V1088 PolarHBondContact O-N 3Å; W1085-V1088 HydrophobicContact CE3-CB 4.15Å; W1085-V1088 HydrophobicContact CE3-CG1 4.2Å; W1085-V1088 HydrophobicContact CE3-CG2 4.24Å; W1085-V1088 HydrophobicContact CZ3-CG1 4.19Å; W1085-V1088 PolarHBondContact O-N 3.27Å; V1088-D1090 PolarHBondContact O-N 3.01Å; V1088-I1091 PolarHBondContact O-N 3.25Å; V1088-I1091 VanDerWaalsContact O-N 3.16Å; V1088-C1092 PolarHBondContact O-N 3.18Å; V1088-C1092 PolarHBondContact O-SG 2.94Å; V1088-C1092 VanDerWaalsContact O-SG 3.37Å; V1088-I1104 HydrophobicContact CB-CD1 4.18Å; V1088-I1104 HydrophobicContact CG1-CD1 3.66Å
1089A97.8Very high96.3Very high0 Ų025.7 Ų25.70%015%0.145CC..Hα-helixtrans-62.6-39179.500000113.7W1085 V1086 A1087 I1091 C1092 R1093 V1101 I1104 L1134W1085-A1089 PolarHBondContact O-N 3.17Å; V1086-A1089 PolarHBondContact O-N 3.08Å; A1087-A1089 VanDerWaalsContact C-N 3.29Å; A1087-A1089 PolarHBondContact O-N 3.3Å; A1089-I1091 VanDerWaalsContact C-N 3.32Å; A1089-I1091 PolarHBondContact O-N 3.18Å; A1089-C1092 PolarHBondContact O-N 2.59Å; A1089-R1093 PolarHBondContact O-N 3.22Å; A1089-V1101 WeakPolarHBondContact O-CG2 3.36Å; A1089-I1104 HydrophobicContact CB-CB 4.15Å; A1089-I1104 HydrophobicContact CB-CD1 3.98Å; A1089-I1104 HydrophobicContact CB-CG2 4.02Å; A1089-L1134 HydrophobicContact CB-CD1 3.85Å
1090D97.5Very high96.4Very high34 Ų3425.4 Ų25.418%0.18214%0.143CC..Hα-helixtrans-71.2-27.5175.4-161.759.8000112.9V1086 A1087 V1088 R1093 C1094 L1130 L1134V1086-D1090 PolarHBondContact O-N 2.94Å; V1086-D1090 VanDerWaalsContact O-N 3.13Å; A1087-D1090 PolarHBondContact O-N 3.44Å; V1088-D1090 PolarHBondContact O-N 3.01Å; D1090-R1093 PolarHBondContact O-N 2.83Å; D1090-R1093 IonicContact OD1-CZ 2.69Å; D1090-R1093 IonicContact OD1-NE 2.91Å; D1090-R1093 PolarHBondContact OD1-NE 2.86Å; D1090-R1093 IonicContact OD1-NH2 3.21Å; D1090-R1093 PolarHBondContact OD1-NH2 2.73Å; D1090-R1093 IonicContact OD2-NH2 3.62Å; D1090-R1093 PolarHBondContact OD2-NH2 2.89Å; D1090-C1094 PolarHBondContact O-N 2.85Å; D1090-C1094 PolarHBondContact O-SG 3.26Å; D1090-L1130 HydrophobicContact CB-CD1 4.15Å; D1090-L1130 HydrophobicContact CB-CD2 4Å; D1090-L1130 HydrophobicContact CB-CG 4.34Å; D1090-L1134 HydrophobicContact CB-CD1 4.29Å; D1090-L1134 HydrophobicContact CB-CD2 4.46Å
1091I97.3Very high96.5Very high39 Ų3922.1 Ų22.120%0.212%0.12CC..Hα-helixtrans-69.6-45.3170.1-61.3164000110.1A1011 M1012 A1015 A1087 V1088 A1089 R1093 C1094 L1095A1011-I1091 HydrophobicContact CB-CD1 4.04Å; A1011-I1091 WeakPolarHBondContact O-CD1 3.34Å; M1012-I1091 HydrophobicContact CE-CG2 4.39Å; M1012-I1091 HydrophobicContact SD-CD1 4.42Å; M1012-I1091 HydrophobicContact SD-CG2 3.79Å; A1015-I1091 HydrophobicContact CB-CB 3.66Å; A1015-I1091 HydrophobicContact CB-CG2 3.42Å; A1015-I1091 VanDerWaalsContact CB-CG2 3.42Å; A1087-I1091 WeakPolarHBondContact O-CG1 3.42Å; A1087-I1091 PolarHBondContact O-N 2.96Å; A1087-I1091 VanDerWaalsContact O-N 3.11Å; V1088-I1091 PolarHBondContact O-N 3.25Å; V1088-I1091 VanDerWaalsContact O-N 3.16Å; A1089-I1091 VanDerWaalsContact C-N 3.32Å; A1089-I1091 PolarHBondContact O-N 3.18Å; I1091-R1093 VanDerWaalsContact C-N 3.27Å; I1091-R1093 PolarHBondContact O-N 3.1Å; I1091-C1094 CarbonylContact O-C 3.49Å; I1091-C1094 WeakPolarHBondContact O-CA 3.45Å; I1091-C1094 WeakPolarHBondContact O-CB 3.21Å; I1091-C1094 PolarHBondContact O-N 3.32Å; I1091-L1095 HydrophobicContact CG2-CD1 4.19Å; I1091-L1095 HydrophobicContact CG2-CG 4.41Å; I1091-L1095 WeakPolarHBondContact O-CG 3.47Å; I1091-L1095 PolarHBondContact O-N 3.03Å
1092C97.3Very high96.6Very high0 Ų022.9 Ų22.90%012%0.124CC..Hα-helixtrans-55-42.8172.3-66.70000111.6V1088 A1089 C1094 L1095 N1096 N1097 V1101V1088-C1092 PolarHBondContact O-N 3.18Å; V1088-C1092 PolarHBondContact O-SG 2.94Å; V1088-C1092 VanDerWaalsContact O-SG 3.37Å; A1089-C1092 PolarHBondContact O-N 2.59Å; C1092-C1094 VanDerWaalsContact C-N 3.34Å; C1092-C1094 PolarHBondContact O-N 3.08Å; C1092-L1095 CarbonylContact O-C 3.47Å; C1092-L1095 PolarHBondContact O-N 3.25Å; C1092-L1095 VanDerWaalsContact O-N 3.12Å; C1092-N1096 PolarHBondContact O-N 3.32Å; C1092-N1097 CarbonylContact C-O 3.21Å; C1092-N1097 HydrophobicContact CB-CB 4.15Å; C1092-N1097 PolarHBondContact O-N 3.35Å; C1092-V1101 HydrophobicContact CB-CG2 3.96Å
1093R96.2Very high96.6Very high54 Ų5422.9 Ų22.920%0.20412%0.124CC..Hα-helixtrans-60.7-39.4172.7-171.6-159.950.359.35.5112.4A1089 D1090 I1091 L1095 N1096 Y1098 V1101 L1134A1089-R1093 PolarHBondContact O-N 3.22Å; D1090-R1093 PolarHBondContact O-N 2.83Å; D1090-R1093 IonicContact OD1-CZ 2.69Å; D1090-R1093 IonicContact OD1-NE 2.91Å; D1090-R1093 PolarHBondContact OD1-NE 2.86Å; D1090-R1093 IonicContact OD1-NH2 3.21Å; D1090-R1093 PolarHBondContact OD1-NH2 2.73Å; D1090-R1093 IonicContact OD2-NH2 3.62Å; D1090-R1093 PolarHBondContact OD2-NH2 2.89Å; I1091-R1093 VanDerWaalsContact C-N 3.27Å; I1091-R1093 PolarHBondContact O-N 3.1Å; R1093-L1095 VanDerWaalsContact C-N 3.31Å; R1093-N1096 PolarHBondContact O-N 3.13Å; R1093-Y1098 HydrophobicContact CG-CE1 4.29Å; R1093-V1101 HydrophobicContact CB-CG2 3.79Å; R1093-L1134 HydrophobicContact CB-CD2 3.95Å; R1093-L1134 HydrophobicContact CG-CD2 4.3Å
1094C94.9Very high96.7Very high82 Ų8219.9 Ų19.955%0.55411%0.11SC*.Hα-helixtrans-69.1-27.6175-71.20000113.2D1090 I1091 C1092 N1096D1090-C1094 PolarHBondContact O-N 2.85Å; D1090-C1094 PolarHBondContact O-SG 3.26Å; I1091-C1094 CarbonylContact O-C 3.49Å; I1091-C1094 WeakPolarHBondContact O-CA 3.45Å; I1091-C1094 WeakPolarHBondContact O-CB 3.21Å; I1091-C1094 PolarHBondContact O-N 3.32Å; C1092-C1094 VanDerWaalsContact C-N 3.34Å; C1092-C1094 PolarHBondContact O-N 3.08Å; C1094-N1096 VanDerWaalsContact C-N 3.27Å
1095L94.9Very high96.7Very high39 Ų3918.1 Ų18.120%0.20410%0.103CC..THydrogen-bonded Turntrans-84.89172.1-62.6175.3000113E1016 T1019 I1091 C1092 R1093 N1097 Y1208E1016-L1095 HydrophobicContact CG-CD1 4.33Å; T1019-L1095 HydrophobicContact CG2-CB 4.27Å; T1019-L1095 HydrophobicContact CG2-CD1 4.44Å; I1091-L1095 HydrophobicContact CG2-CD1 4.19Å; I1091-L1095 HydrophobicContact CG2-CG 4.41Å; I1091-L1095 WeakPolarHBondContact O-CG 3.47Å; I1091-L1095 PolarHBondContact O-N 3.03Å; C1092-L1095 CarbonylContact O-C 3.47Å; C1092-L1095 PolarHBondContact O-N 3.25Å; C1092-L1095 VanDerWaalsContact O-N 3.12Å; R1093-L1095 VanDerWaalsContact C-N 3.31Å; L1095-N1097 PolarHBondContact O-N 3.45Å; L1095-N1097 VanDerWaalsContact O-N 3.1Å; L1095-Y1208 HydrophobicContact CB-CE1 4.41Å; L1095-Y1208 WeakPolarHBondContact O-CE1 3.31Å; L1095-Y1208 PolarHBondContact O-OH 2.82Å
1096N96.3Very high96.5Very high45 Ų4520.1 Ų20.124%0.24112%0.117CC..THydrogen-bonded Turntrans5521.9-173-58.5-40.7000114.6C1092 R1093 C1094 Y1098 C1154 P1157 C1158 V1159C1092-N1096 PolarHBondContact O-N 3.32Å; R1093-N1096 PolarHBondContact O-N 3.13Å; C1094-N1096 VanDerWaalsContact C-N 3.27Å; N1096-Y1098 HydrophobicContact CB-CE2 3.89Å; N1096-Y1098 VanDerWaalsContact O-CD2 3.22Å; N1096-Y1098 WeakPolarHBondContact O-CD2 3.47Å; N1096-Y1098 WeakPolarHBondContact O-CE2 3.49Å; N1096-Y1098 PolarHBondContact O-N 2.98Å; N1096-Y1098 PolarHBondContact OD1-OH 3.48Å; N1096-C1154 PolarHBondContact OD1-SG 3.37Å; N1096-P1157 PolarHBondContact ND2-O 3.3Å; N1096-C1158 HydrophobicContact CB-CB 3.81Å; N1096-C1158 WeakPolarHBondContact O-CA 3.19Å; N1096-C1158 PolarHBondContact O-SG 3.21Å; N1096-V1159 PolarHBondContact O-N 2.93Å
1097N97.1Very high96.4Very high0 Ų020 Ų200%012%0.116CC..BIsolated β-bridgetrans-86.291.8169.4-179.95.3000109.2T1019 D1022 C1092 L1095 N1099 G1100 V1101T1019-N1097 WeakPolarHBondContact CA-ND2 3.43Å; T1019-N1097 HydrophobicContact CG2-CB 3.87Å; T1019-N1097 WeakPolarHBondContact OG1-CB 3.47Å; T1019-N1097 PolarHBondContact OG1-ND2 3.01Å; T1019-N1097 VanDerWaalsContact OG1-ND2 3.14Å; D1022-N1097 VanDerWaalsContact OD2-CG 3.28Å; D1022-N1097 PolarHBondContact OD2-ND2 3.38Å; D1022-N1097 PolarHBondContact OD2-OD1 2.92Å; D1022-N1097 VanDerWaalsContact OD2-OD1 3.06Å; C1092-N1097 CarbonylContact C-O 3.21Å; C1092-N1097 HydrophobicContact CB-CB 4.15Å; C1092-N1097 PolarHBondContact O-N 3.35Å; L1095-N1097 PolarHBondContact O-N 3.45Å; L1095-N1097 VanDerWaalsContact O-N 3.1Å; N1097-N1099 VanDerWaalsContact C-N 3.33Å; N1097-N1099 WeakPolarHBondContact OD1-CB 3.37Å; N1097-N1099 PolarHBondContact OD1-N 3Å; N1097-G1100 PolarHBondContact OD1-N 3.34Å; N1097-V1101 WeakPolarHBondContact O-CG2 3.19Å
1098Y96.7Very high96.3Very high13 Ų1318.2 Ų18.25%0.05110%0.101CC..Hα-helixtrans-83.1-12.4176.2-59.5-81.8000112.6R1093 N1096 L1102 T1137 L1147 T1150 L1151 V1159R1093-Y1098 HydrophobicContact CG-CE1 4.29Å; N1096-Y1098 HydrophobicContact CB-CE2 3.89Å; N1096-Y1098 VanDerWaalsContact O-CD2 3.22Å; N1096-Y1098 WeakPolarHBondContact O-CD2 3.47Å; N1096-Y1098 WeakPolarHBondContact O-CE2 3.49Å; N1096-Y1098 PolarHBondContact O-N 2.98Å; N1096-Y1098 PolarHBondContact OD1-OH 3.48Å; Y1098-L1102 PolarHBondContact O-N 3.49Å; Y1098-T1137 HydrophobicContact CE1-CG2 4.4Å; Y1098-L1147 HydrophobicContact CD1-CD1 3.73Å; Y1098-L1147 HydrophobicContact CD2-CD1 4.4Å; Y1098-L1147 HydrophobicContact CG-CD1 3.64Å; Y1098-T1150 HydrophobicContact CE1-CG2 3.71Å; Y1098-T1150 WeakPolarHBondContact OH-CG2 3.18Å; Y1098-L1151 HydrophobicContact CD2-CD2 3.76Å; Y1098-L1151 HydrophobicContact CE2-CD2 4.09Å; Y1098-V1159 PolarHBondContact N-O 3.28Å
1099N96.6Very high96Very high7 Ų721.7 Ų21.74%0.03712%0.119CC..Hα-helixtrans-70.9-61.3172.8-168.767.1000110.5D1022 F1058 N1097 V1101 L1102 E1103 V1159D1022-N1099 PolarHBondContact OD1-ND2 3.07Å; F1058-N1099 WeakPolarHBondContact CD2-OD1 3.42Å; N1097-N1099 VanDerWaalsContact C-N 3.33Å; N1097-N1099 WeakPolarHBondContact OD1-CB 3.37Å; N1097-N1099 PolarHBondContact OD1-N 3Å; N1099-V1101 PolarHBondContact O-N 2.94Å; N1099-L1102 CarbonylContact O-C 3.55Å; N1099-L1102 WeakPolarHBondContact O-CA 3.43Å; N1099-L1102 WeakPolarHBondContact O-CB 3.15Å; N1099-L1102 PolarHBondContact O-N 3.03Å; N1099-E1103 PolarHBondContact ND2-OE1 2.57Å; N1099-E1103 PolarHBondContact O-N 2.71Å; N1099-V1159 HydrophobicContact CB-CB 4.5Å; N1099-V1159 HydrophobicContact CB-CG1 3.88Å; N1099-V1159 PolarHBondContact N-O 3.09Å
1100G96.5Very high95.7Very high0 Ų023.4 Ų23.40%013%0.126CC..Hα-helixtrans-57.7-29.7175.400000114.8D1022 N1097 L1102 E1103 I1104D1022-G1100 PolarHBondContact OD2-N 3.48Å; D1022-G1100 VanDerWaalsContact OD2-N 3.16Å; N1097-G1100 PolarHBondContact OD1-N 3.34Å; G1100-L1102 VanDerWaalsContact C-N 3.34Å; G1100-E1103 PolarHBondContact O-N 2.97Å; G1100-I1104 WeakPolarHBondContact O-CD1 3.35Å; G1100-I1104 WeakPolarHBondContact O-CG1 3.2Å; G1100-I1104 PolarHBondContact O-N 3.34Å
1101V97.2Very high95.4Very high1 Ų125.4 Ų25.41%0.00614%0.142CC..Hα-helixtrans-60.6-44.2169.2173.30000111A1089 C1092 R1093 N1097 N1099 T1105 L1134 V1138A1089-V1101 WeakPolarHBondContact O-CG2 3.36Å; C1092-V1101 HydrophobicContact CB-CG2 3.96Å; R1093-V1101 HydrophobicContact CB-CG2 3.79Å; N1097-V1101 WeakPolarHBondContact O-CG2 3.19Å; N1099-V1101 PolarHBondContact O-N 2.94Å; V1101-T1105 WeakPolarHBondContact O-CB 3.45Å; V1101-T1105 WeakPolarHBondContact O-CG2 3.38Å; V1101-T1105 PolarHBondContact O-N 3.23Å; V1101-T1105 VanDerWaalsContact O-N 3.1Å; V1101-T1105 PolarHBondContact O-OG1 2.83Å; V1101-L1134 HydrophobicContact CG1-CB 4.36Å; V1101-L1134 HydrophobicContact CG1-CD2 4.09Å; V1101-V1138 HydrophobicContact CB-CG1 4.11Å; V1101-V1138 HydrophobicContact CG1-CG1 3.57Å; V1101-V1138 HydrophobicContact CG1-CG2 4.13Å
1102L96.3Very high95.2Very high20 Ų2023.8 Ų23.811%0.10514%0.135CC..Hα-helixtrans-73.9-35.7179.6-175.162.1000112F1058 Y1098 N1099 G1100 T1105 S1106 V1138 F1144 Y1161F1058-L1102 HydrophobicContact CE2-CB 4.29Å; F1058-L1102 HydrophobicContact CE2-CD2 4.27Å; F1058-L1102 HydrophobicContact CE2-CG 4.19Å; F1058-L1102 HydrophobicContact CZ-CD2 4.21Å; F1058-L1102 HydrophobicContact CZ-CG 4.05Å; Y1098-L1102 PolarHBondContact O-N 3.49Å; N1099-L1102 CarbonylContact O-C 3.55Å; N1099-L1102 WeakPolarHBondContact O-CA 3.43Å; N1099-L1102 WeakPolarHBondContact O-CB 3.15Å; N1099-L1102 PolarHBondContact O-N 3.03Å; G1100-L1102 VanDerWaalsContact C-N 3.34Å; L1102-T1105 WeakPolarHBondContact CA-OG1 3.22Å; L1102-T1105 PolarHBondContact O-OG1 2.86Å; L1102-S1106 WeakPolarHBondContact O-CB 3.38Å; L1102-S1106 PolarHBondContact O-N 2.95Å; L1102-S1106 PolarHBondContact O-OG 2.81Å; L1102-V1138 HydrophobicContact CB-CB 4.25Å; L1102-V1138 HydrophobicContact CB-CG1 4.48Å; L1102-V1138 HydrophobicContact CB-CG2 4.23Å; L1102-V1138 HydrophobicContact CD1-CB 4.04Å; L1102-V1138 HydrophobicContact CD1-CG2 3.67Å; L1102-F1144 HydrophobicContact CD2-CE1 4.46Å; L1102-Y1161 HydrophobicContact CD2-CD1 3.7Å; L1102-Y1161 HydrophobicContact CD2-CD2 3.58Å; L1102-Y1161 HydrophobicContact CD2-CE1 3.88Å; L1102-Y1161 HydrophobicContact CD2-CE2 3.75Å; L1102-Y1161 HydrophobicContact CD2-CG 3.54Å
1103E96.1Very high95Very high0 Ų023.8 Ų23.80%014%0.135CC..Hα-helixtrans-57.9-53175.3-69.7174.5174.800112.2F1058 M1061 S1062 N1099 G1100 S1106 A1107F1058-E1103 VanDerWaalsContact CA-OE1 3.26Å; F1058-E1103 WeakPolarHBondContact CA-OE1 3.24Å; F1058-E1103 HydrophobicContact CB-CG 4.45Å; F1058-E1103 HydrophobicContact CD2-CG 3.24Å; F1058-E1103 HydrophobicContact CE2-CB 4.39Å; F1058-E1103 HydrophobicContact CE2-CG 3.44Å; F1058-E1103 VanDerWaalsContact CE2-CG 3.44Å; F1058-E1103 HydrophobicContact CG-CG 3.85Å; F1058-E1103 HydrophobicContact CZ-CG 4.17Å; M1061-E1103 VanDerWaalsContact CB-OE2 3.26Å; M1061-E1103 WeakPolarHBondContact CB-OE2 3.48Å; S1062-E1103 PolarHBondContact OG-O 3.11Å; N1099-E1103 PolarHBondContact ND2-OE1 2.57Å; N1099-E1103 PolarHBondContact O-N 2.71Å; G1100-E1103 PolarHBondContact O-N 2.97Å; E1103-S1106 PolarHBondContact O-N 3.34Å; E1103-A1107 WeakPolarHBondContact O-CB 3.32Å; E1103-A1107 PolarHBondContact O-N 2.91Å
1104I96.8Very high94.8Very high1 Ų127.7 Ų27.71%0.00515%0.151CC..Hα-helixtrans-67.9-44.8-178-63.1165.2000110.3V1065 W1085 V1088 A1089 G1100 S1106 A1107 L1108V1065-I1104 HydrophobicContact CG1-CG2 4.44Å; V1065-I1104 HydrophobicContact CG2-CG1 4.13Å; W1085-I1104 HydrophobicContact CB-CG2 4.04Å; W1085-I1104 HydrophobicContact CE3-CD1 4.06Å; W1085-I1104 HydrophobicContact CE3-CG1 4.17Å; W1085-I1104 HydrophobicContact CZ3-CD1 4.38Å; V1088-I1104 HydrophobicContact CB-CD1 4.18Å; V1088-I1104 HydrophobicContact CG1-CD1 3.66Å; A1089-I1104 HydrophobicContact CB-CB 4.15Å; A1089-I1104 HydrophobicContact CB-CD1 3.98Å; A1089-I1104 HydrophobicContact CB-CG2 4.02Å; G1100-I1104 WeakPolarHBondContact O-CD1 3.35Å; G1100-I1104 WeakPolarHBondContact O-CG1 3.2Å; G1100-I1104 PolarHBondContact O-N 3.34Å; I1104-S1106 VanDerWaalsContact C-N 3.32Å; I1104-S1106 PolarHBondContact O-N 3.05Å; I1104-A1107 PolarHBondContact O-N 2.69Å; I1104-L1108 HydrophobicContact CG2-CD1 4.26Å; I1104-L1108 WeakPolarHBondContact O-CG 3.31Å; I1104-L1108 PolarHBondContact O-N 3.47Å
1105T95.5Very high94.7Very high5 Ų526.1 Ų26.13%0.03113%0.133CC..Hα-helixtrans-69.3-29.1178.454.70000113V1101 L1102 N1109 L1134 Q1135V1101-T1105 WeakPolarHBondContact O-CB 3.45Å; V1101-T1105 WeakPolarHBondContact O-CG2 3.38Å; V1101-T1105 PolarHBondContact O-N 3.23Å; V1101-T1105 VanDerWaalsContact O-N 3.1Å; V1101-T1105 PolarHBondContact O-OG1 2.83Å; L1102-T1105 WeakPolarHBondContact CA-OG1 3.22Å; L1102-T1105 PolarHBondContact O-OG1 2.86Å; T1105-N1109 PolarHBondContact O-N 2.87Å; T1105-N1109 PolarHBondContact O-ND2 3.39Å; T1105-L1134 HydrophobicContact CG2-CB 4.05Å; T1105-Q1135 HydrophobicContact CG2-CG 3.99Å
1106S93.8Very high94.6Very high42 Ų4224.2 Ų24.229%0.29412%0.123SC..Hα-helixtrans-70-42.6171.2-60.40000111.6L1102 E1103 I1104 L1108 N1109 R1110L1102-S1106 WeakPolarHBondContact O-CB 3.38Å; L1102-S1106 PolarHBondContact O-N 2.95Å; L1102-S1106 PolarHBondContact O-OG 2.81Å; E1103-S1106 PolarHBondContact O-N 3.34Å; I1104-S1106 VanDerWaalsContact C-N 3.32Å; I1104-S1106 PolarHBondContact O-N 3.05Å; S1106-L1108 PolarHBondContact O-N 3.44Å; S1106-N1109 PolarHBondContact O-N 3.38Å; S1106-N1109 VanDerWaalsContact O-N 3.11Å; S1106-R1110 PolarHBondContact O-N 3.48Å
1107A94.9Very high94.4Very high0 Ų027.7 Ų27.70%014%0.136CC..Hα-helixtrans-56.9-48.3175.100000111.5S1062 V1065 E1103 I1104 N1109 R1110 I1113S1062-A1107 WeakPolarHBondContact O-CB 3.4Å; S1062-A1107 PolarHBondContact OG-N 3.39Å; V1065-A1107 HydrophobicContact CB-CB 3.75Å; V1065-A1107 HydrophobicContact CG1-CB 3.57Å; E1103-A1107 WeakPolarHBondContact O-CB 3.32Å; E1103-A1107 PolarHBondContact O-N 2.91Å; I1104-A1107 PolarHBondContact O-N 2.69Å; A1107-N1109 PolarHBondContact O-N 2.95Å; A1107-R1110 WeakPolarHBondContact O-CB 3.25Å; A1107-R1110 WeakPolarHBondContact O-CG 3.29Å; A1107-R1110 PolarHBondContact O-N 3.48Å; A1107-R1110 VanDerWaalsContact O-N 3.08Å; A1107-I1113 VanDerWaalsContact O-CD1 3.25Å; A1107-I1113 WeakPolarHBondContact O-CD1 3.44Å
1108L94.1Very high94.2Very high1 Ų133.7 Ų33.71%0.00516%0.162CC..Hα-helixtrans-62.5-25.6177.5-67.8173.3000113.8I1069 I1082 V1086 I1104 S1106 W1120 M1131I1069-L1108 HydrophobicContact CD1-CD2 3.64Å; I1082-L1108 HydrophobicContact CB-CD2 4.46Å; I1082-L1108 HydrophobicContact CG1-CD2 4.06Å; I1082-L1108 HydrophobicContact CG2-CD2 4Å; V1086-L1108 HydrophobicContact CG2-CD1 3.61Å; I1104-L1108 HydrophobicContact CG2-CD1 4.26Å; I1104-L1108 WeakPolarHBondContact O-CG 3.31Å; I1104-L1108 PolarHBondContact O-N 3.47Å; S1106-L1108 PolarHBondContact O-N 3.44Å; L1108-W1120 HydrophobicContact CB-CH2 4.36Å; L1108-W1120 HydrophobicContact CD2-CH2 4.23Å; L1108-M1131 HydrophobicContact CB-SD 4.46Å; L1108-M1131 HydrophobicContact CD1-CG 4.47Å; L1108-M1131 HydrophobicContact CD1-SD 4.02Å
1109N92.1Very high94Very high72 Ų7233.1 Ų33.139%0.38516%0.16SC..Hα-helixtrans-87.6-5.8176.7-76.9-25000114.1T1105 S1106 A1107 Q1135T1105-N1109 PolarHBondContact O-N 2.87Å; T1105-N1109 PolarHBondContact O-ND2 3.39Å; S1106-N1109 PolarHBondContact O-N 3.38Å; S1106-N1109 VanDerWaalsContact O-N 3.11Å; A1107-N1109 PolarHBondContact O-N 2.95Å; N1109-Q1135 VanDerWaalsContact CG-NE2 3.33Å; N1109-Q1135 PolarHBondContact ND2-NE2 2.82Å; N1109-Q1135 PolarHBondContact OD1-NE2 3.49Å
1110R92.6Very high93.9Very high37 Ų3734.1 Ų34.114%0.1416%0.163CC..SBendtrans-60.7149177.2-68.2-174-172.8-149.513.8111.9S1062 N1063 S1106 A1107 A1112 I1113 Y1114 E1229S1062-R1110 PolarHBondContact O-NH2 3.37Å; S1062-R1110 PolarHBondContact OG-NH2 3.4Å; N1063-R1110 PolarHBondContact OD1-NH1 2.97Å; N1063-R1110 PolarHBondContact OD1-NH2 3.21Å; S1106-R1110 PolarHBondContact O-N 3.48Å; A1107-R1110 WeakPolarHBondContact O-CB 3.25Å; A1107-R1110 WeakPolarHBondContact O-CG 3.29Å; A1107-R1110 PolarHBondContact O-N 3.48Å; A1107-R1110 VanDerWaalsContact O-N 3.08Å; R1110-A1112 PolarHBondContact O-N 2.84Å; R1110-A1112 VanDerWaalsContact O-N 3.13Å; R1110-I1113 PolarHBondContact O-N 3.38Å; R1110-Y1114 WeakPolarHBondContact O-CB 3.49Å; R1110-Y1114 PolarHBondContact O-N 2.99Å; R1110-E1229 IonicContact CZ-OE1 3.12Å; R1110-E1229 IonicContact NE-OE1 2.91Å; R1110-E1229 IonicContact NH1-OE1 2.78Å; R1110-E1229 PolarHBondContact NH1-OE1 2.94Å
1111S90.9Very high93.8Very high75 Ų7537.8 Ų37.852%0.52419%0.193SC..Hα-helixtrans-52-38.9-176.561.40000113.4R1115S1111-R1115 VanDerWaalsContact O-CD 3.31Å; S1111-R1115 WeakPolarHBondContact O-CD 3.38Å; S1111-R1115 WeakPolarHBondContact O-CG 3.48Å
1112A91.5Very high93.7Very high6 Ų643.3 Ų43.35%0.0522%0.217CC..Hα-helixtrans-65.7-39.3178.700000113.6R1110 R1115 L1116 L1232 S1236R1110-A1112 PolarHBondContact O-N 2.84Å; R1110-A1112 VanDerWaalsContact O-N 3.13Å; A1112-R1115 WeakPolarHBondContact O-CG 3.29Å; A1112-L1116 WeakPolarHBondContact O-CG 3.17Å; A1112-L1232 HydrophobicContact CB-CB 4.19Å; A1112-S1236 VanDerWaalsContact O-CB 3.27Å; A1112-S1236 WeakPolarHBondContact O-CB 3.34Å
1113I93.7Very high93.6Very high0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-90.6-45.9-176.8-46.4-175.3000111A1066 I1069 I1082 A1107 R1110 R1115 L1116 W1120A1066-I1113 HydrophobicContact CB-CD1 3.88Å; I1069-I1113 HydrophobicContact CB-CD1 4.37Å; I1069-I1113 HydrophobicContact CD1-CD1 3.99Å; I1069-I1113 HydrophobicContact CG2-CD1 4.4Å; I1069-I1113 HydrophobicContact CG2-CG2 4.21Å; I1082-I1113 HydrophobicContact CD1-CG2 4.3Å; A1107-I1113 VanDerWaalsContact O-CD1 3.25Å; A1107-I1113 WeakPolarHBondContact O-CD1 3.44Å; R1110-I1113 PolarHBondContact O-N 3.38Å; I1113-R1115 PolarHBondContact O-N 3.1Å; I1113-L1116 WeakPolarHBondContact O-CB 3.31Å; I1113-L1116 PolarHBondContact O-N 3.17Å; I1113-W1120 HydrophobicContact CG2-CZ2 4.1Å; I1113-W1120 PolarHBondContact O-NE1 3.1Å
1114Y92.1Very high93.6Very high135 Ų13544.5 Ų44.553%0.52923%0.227SC..Hα-helixtrans-57.7-27.7-176.1-174.7-96.5000112.8R1110 K1117R1110-Y1114 WeakPolarHBondContact O-CB 3.49Å; R1110-Y1114 PolarHBondContact O-N 2.99Å; Y1114-K1117 WeakPolarHBondContact O-CE 3.22Å; Y1114-K1117 PolarHBondContact O-NZ 2.9Å
1115R93Very high93.4Very high49 Ų4953.4 Ų53.419%0.18527%0.266CS..THydrogen-bonded Turntrans-80.5-11.7178.670.5179.9-72.3-70.9-17.3115.8S1111 A1112 I1113 K1117 S1236 E1240S1111-R1115 VanDerWaalsContact O-CD 3.31Å; S1111-R1115 WeakPolarHBondContact O-CD 3.38Å; S1111-R1115 WeakPolarHBondContact O-CG 3.48Å; A1112-R1115 WeakPolarHBondContact O-CG 3.29Å; I1113-R1115 PolarHBondContact O-N 3.1Å; R1115-K1117 PolarHBondContact O-N 3.19Å; R1115-S1236 WeakPolarHBondContact CD-OG 3.45Å; R1115-S1236 PolarHBondContact NH1-O 3.25Å; R1115-S1236 PolarHBondContact NH1-OG 2.88Å; R1115-E1240 VanDerWaalsContact CZ-O 3.31Å; R1115-E1240 PolarHBondContact NH1-O 3.28Å; R1115-E1240 PolarHBondContact NH2-O 2.97Å
1116L92.3Very high93.4Very high0 Ų061.1 Ų61.10%030%0.301CS..  trans-74.863.9-175.3-60.4179.5000112.5M1070 A1112 I1113 K1118 T1119 W1120 E1240M1070-L1116 HydrophobicContact SD-CD1 3.93Å; A1112-L1116 WeakPolarHBondContact O-CG 3.17Å; I1113-L1116 WeakPolarHBondContact O-CB 3.31Å; I1113-L1116 PolarHBondContact O-N 3.17Å; L1116-K1118 VanDerWaalsContact C-N 3.25Å; L1116-K1118 PolarHBondContact O-N 3.36Å; L1116-T1119 WeakPolarHBondContact O-CA 3.34Å; L1116-T1119 WeakPolarHBondContact O-CB 3.16Å; L1116-T1119 PolarHBondContact O-N 3.36Å; L1116-W1120 PolarHBondContact O-N 3Å; L1116-E1240 WeakPolarHBondContact CA-OE2 3.48Å; L1116-E1240 HydrophobicContact CD2-CB 3.86Å; L1116-E1240 HydrophobicContact CD2-CG 4.04Å
1117K93Very high93.4Very high118 Ų11860 Ų6051%0.51329%0.293SS..Hα-helixtrans-62.9-26.6-168.6-57.6-47.6-174.5-171.70113.4Y1114 R1115 A1121 E1240Y1114-K1117 WeakPolarHBondContact O-CE 3.22Å; Y1114-K1117 PolarHBondContact O-NZ 2.9Å; R1115-K1117 PolarHBondContact O-N 3.19Å; K1117-A1121 WeakPolarHBondContact O-CB 3.11Å; K1117-A1121 PolarHBondContact O-N 2.68Å; K1117-E1240 PolarHBondContact N-OE2 3.4Å; K1117-E1240 VanDerWaalsContact N-OE2 3.1Å
1118K91.9Very high93.3Very high126 Ų12662.8 Ų62.855%0.54831%0.305SS..Hα-helixtrans-72.4-40.7173.4-54.5175.6-175.3174.10111.2V1075 L1116 A1121 E1240V1075-K1118 HydrophobicContact CG1-CB 4.43Å; L1116-K1118 VanDerWaalsContact C-N 3.25Å; L1116-K1118 PolarHBondContact O-N 3.36Å; K1118-A1121 WeakPolarHBondContact O-CB 3.26Å; K1118-A1121 PolarHBondContact O-N 2.65Å; K1118-E1240 WeakPolarHBondContact CB-OE2 3.34Å; K1118-E1240 HydrophobicContact CD-CG 4.33Å; K1118-E1240 WeakPolarHBondContact CG-OE2 3.41Å; K1118-E1240 PolarHBondContact N-OE2 3.24Å
1119T94Very high93.4Very high0 Ų065.6 Ų65.60%033%0.328CS..Hα-helixtrans-62-51.6172.4-56.20000111R1078 A1079 I1082 L1116 A1121 K1122 V1123 E1240R1078-T1119 HydrophobicContact CB-CG2 3.49Å; R1078-T1119 VanDerWaalsContact CB-CG2 3.49Å; R1078-T1119 PolarHBondContact NE-OG1 2.9Å; R1078-T1119 PolarHBondContact NH2-OG1 2.93Å; R1078-T1119 VanDerWaalsContact NH2-OG1 3.15Å; A1079-T1119 HydrophobicContact CB-CG2 4.47Å; I1082-T1119 HydrophobicContact CD1-CG2 3.79Å; L1116-T1119 WeakPolarHBondContact O-CA 3.34Å; L1116-T1119 WeakPolarHBondContact O-CB 3.16Å; L1116-T1119 PolarHBondContact O-N 3.36Å; T1119-A1121 PolarHBondContact O-N 3.4Å; T1119-K1122 PolarHBondContact O-N 3.49Å; T1119-V1123 PolarHBondContact O-N 2.89Å; T1119-E1240 WeakPolarHBondContact CB-OE1 3.25Å; T1119-E1240 PolarHBondContact N-OE1 3.41Å; T1119-E1240 PolarHBondContact OG1-OE1 2.99Å
1120W94.6Very high93.6Very high29 Ų2964.4 Ų64.411%0.1132%0.322CS..Hα-helixtrans-60.4-28.7176.2-74.4108.6000113.1I1082 L1108 I1113 L1116 K1122 V1123 K1128 M1131I1082-W1120 HydrophobicContact CD1-CZ2 4.41Å; I1082-W1120 HydrophobicContact CG2-CH2 3.91Å; I1082-W1120 HydrophobicContact CG2-CZ3 3.82Å; L1108-W1120 HydrophobicContact CB-CH2 4.36Å; L1108-W1120 HydrophobicContact CD2-CH2 4.23Å; I1113-W1120 HydrophobicContact CG2-CZ2 4.1Å; I1113-W1120 PolarHBondContact O-NE1 3.1Å; L1116-W1120 PolarHBondContact O-N 3Å; W1120-K1122 VanDerWaalsContact C-N 3.33Å; W1120-K1122 PolarHBondContact O-N 3.27Å; W1120-V1123 HydrophobicContact CE3-CG2 4.36Å; W1120-V1123 PolarHBondContact O-N 3.15Å; W1120-K1128 WeakPolarHBondContact O-CE 3.02Å; W1120-K1128 PolarHBondContact O-NZ 3.34Å; W1120-M1131 HydrophobicContact CH2-CE 4.07Å; W1120-M1131 HydrophobicContact CH2-SD 3.57Å; W1120-M1131 VanDerWaalsContact CH2-SD 3.57Å; W1120-M1131 HydrophobicContact CZ3-CE 4.01Å; W1120-M1131 HydrophobicContact CZ3-SD 3.79Å
1121A93.6Very high93.7Very high76 Ų7663.6 Ų63.663%0.62832%0.32SS*.Hα-helixtrans-64.1-34.8174.600000113K1117 K1118 T1119K1117-A1121 WeakPolarHBondContact O-CB 3.11Å; K1117-A1121 PolarHBondContact O-N 2.68Å; K1118-A1121 WeakPolarHBondContact O-CB 3.26Å; K1118-A1121 PolarHBondContact O-N 2.65Å; T1119-A1121 PolarHBondContact O-N 3.4Å
1122K94.8Very high93.9Very high118 Ų11864.3 Ų64.351%0.51332%0.318SS..Hα-helixtrans-73.8-31.4177.4-73.8-165.1-176.4-177.80113.9V1075 A1079 T1119 W1120V1075-K1122 HydrophobicContact CB-CD 4.24Å; V1075-K1122 HydrophobicContact CG1-CD 3.91Å; V1075-K1122 HydrophobicContact CG1-CG 4.29Å; A1079-K1122 HydrophobicContact CB-CB 3.7Å; T1119-K1122 PolarHBondContact O-N 3.49Å; W1120-K1122 VanDerWaalsContact C-N 3.33Å; W1120-K1122 PolarHBondContact O-N 3.27Å
1123V95.1Very high94.1Very high4 Ų469.5 Ų69.52%0.02434%0.339CS..SBendtrans-59.7136.2-179.4175.70000111.3A1079 I1082 E1083 T1119 W1120 T1127 K1128A1079-V1123 HydrophobicContact CB-CG2 3.86Å; I1082-V1123 HydrophobicContact CB-CG2 4.24Å; I1082-V1123 HydrophobicContact CD1-CG2 4.44Å; I1082-V1123 HydrophobicContact CG2-CG1 4.48Å; I1082-V1123 HydrophobicContact CG2-CG2 4.05Å; E1083-V1123 HydrophobicContact CG-CG1 4Å; T1119-V1123 PolarHBondContact O-N 2.89Å; W1120-V1123 HydrophobicContact CE3-CG2 4.36Å; W1120-V1123 PolarHBondContact O-N 3.15Å; V1123-T1127 HydrophobicContact CG1-CG2 3.95Å; V1123-K1128 HydrophobicContact CG1-CG 4.26Å; V1123-K1128 VanDerWaalsContact O-CE 3.3Å; V1123-K1128 WeakPolarHBondContact O-CE 3.36Å; V1123-K1128 PolarHBondContact O-NZ 3.5Å
1124S95Very high94.2Very high41 Ų4169.5 Ų69.529%0.28734%0.339SS..  trans-62.9154.5-173.795.80000113.5E1083 Q1126 T1127 K1128E1083-S1124 VanDerWaalsContact OE1-CB 3.29Å; E1083-S1124 WeakPolarHBondContact OE1-CB 3.31Å; E1083-S1124 PolarHBondContact OE1-N 2.66Å; S1124-Q1126 VanDerWaalsContact C-N 3.26Å; S1124-Q1126 PolarHBondContact O-N 3.4Å; S1124-Q1126 PolarHBondContact OG-N 2.79Å; S1124-T1127 PolarHBondContact O-N 2.92Å; S1124-T1127 PolarHBondContact OG-N 3.2Å; S1124-T1127 PolarHBondContact OG-OG1 2.71Å; S1124-K1128 WeakPolarHBondContact O-CG 3.26Å; S1124-K1128 PolarHBondContact O-N 3.27Å; S1124-K1128 VanDerWaalsContact O-N 3.15Å
1125K94Very high94.3Very high188 Ų18865.3 Ų65.382%0.81732%0.324SS*.Hα-helixtrans-64.5-30.7174.8-67-174.9178.9-178.50112.5A1129K1125-A1129 PolarHBondContact O-N 3.19Å
1126Q93.8Very high94.4Very high166 Ų16669.9 Ų69.978%0.77635%0.346SS*.Hα-helixtrans-71.7-45.1178.5-70.7174.9-3000110.8S1124 K1128 A1129 L1130S1124-Q1126 VanDerWaalsContact C-N 3.26Å; S1124-Q1126 PolarHBondContact O-N 3.4Å; S1124-Q1126 PolarHBondContact OG-N 2.79Å; Q1126-K1128 VanDerWaalsContact C-N 3.33Å; Q1126-K1128 PolarHBondContact O-N 3.12Å; Q1126-A1129 PolarHBondContact O-N 2.96Å; Q1126-L1130 WeakPolarHBondContact O-CB 3.45Å; Q1126-L1130 PolarHBondContact O-N 2.94Å
1127T94.3Very high94.4Very high19 Ų1971.1 Ų71.112%0.11735%0.353CS..Hα-helixtrans-58.8-43.5175.4-46.30000111.4E1083 V1086 V1123 S1124 L1130 M1131E1083-T1127 HydrophobicContact CB-CG2 4.28Å; E1083-T1127 HydrophobicContact CG-CG2 3.84Å; V1086-T1127 HydrophobicContact CB-CG2 3.73Å; V1086-T1127 HydrophobicContact CG1-CG2 3.78Å; V1086-T1127 HydrophobicContact CG2-CG2 4Å; V1123-T1127 HydrophobicContact CG1-CG2 3.95Å; S1124-T1127 PolarHBondContact O-N 2.92Å; S1124-T1127 PolarHBondContact OG-N 3.2Å; S1124-T1127 PolarHBondContact OG-OG1 2.71Å; T1127-L1130 WeakPolarHBondContact O-CB 3.36Å; T1127-L1130 PolarHBondContact O-N 3.48Å; T1127-M1131 PolarHBondContact O-N 2.87Å
1128K93.8Very high94.5Very high59 Ų5965.6 Ų65.626%0.25733%0.329SS..Hα-helixtrans-60.2-52.4176.8-74.1161.6178.1155.50111.9W1120 V1123 S1124 Q1126 L1130 M1131 D1132W1120-K1128 WeakPolarHBondContact O-CE 3.02Å; W1120-K1128 PolarHBondContact O-NZ 3.34Å; V1123-K1128 HydrophobicContact CG1-CG 4.26Å; V1123-K1128 VanDerWaalsContact O-CE 3.3Å; V1123-K1128 WeakPolarHBondContact O-CE 3.36Å; V1123-K1128 PolarHBondContact O-NZ 3.5Å; S1124-K1128 WeakPolarHBondContact O-CG 3.26Å; S1124-K1128 PolarHBondContact O-N 3.27Å; S1124-K1128 VanDerWaalsContact O-N 3.15Å; Q1126-K1128 VanDerWaalsContact C-N 3.33Å; Q1126-K1128 PolarHBondContact O-N 3.12Å; K1128-L1130 PolarHBondContact O-N 2.69Å; K1128-M1131 WeakPolarHBondContact O-CB 3.44Å; K1128-M1131 PolarHBondContact O-N 3.37Å; K1128-D1132 PolarHBondContact O-N 2.93Å
1129A95.4Very high94.5Very high60 Ų6061.2 Ų61.250%0.49632%0.315SS..Hα-helixtrans-60.8-30.5177.900000113.2K1125 Q1126 K1133K1125-A1129 PolarHBondContact O-N 3.19Å; Q1126-A1129 PolarHBondContact O-N 2.96Å; A1129-K1133 WeakPolarHBondContact O-CB 3.4Å; A1129-K1133 PolarHBondContact O-N 3.02Å
1130L95.6Very high94.4Very high47 Ų4765.2 Ų65.225%0.24634%0.342CS..Hα-helixtrans-70.5-44.9172.4-176.356.4000111.9V1086 D1090 Q1126 T1127 K1128 K1133 L1134V1086-L1130 HydrophobicContact CG1-CB 4.28Å; V1086-L1130 HydrophobicContact CG1-CD2 4.14Å; V1086-L1130 HydrophobicContact CG1-CG 4.08Å; D1090-L1130 HydrophobicContact CB-CD1 4.15Å; D1090-L1130 HydrophobicContact CB-CD2 4Å; D1090-L1130 HydrophobicContact CB-CG 4.34Å; Q1126-L1130 WeakPolarHBondContact O-CB 3.45Å; Q1126-L1130 PolarHBondContact O-N 2.94Å; T1127-L1130 WeakPolarHBondContact O-CB 3.36Å; T1127-L1130 PolarHBondContact O-N 3.48Å; K1128-L1130 PolarHBondContact O-N 2.69Å; L1130-K1133 WeakPolarHBondContact O-CB 3.48Å; L1130-K1133 PolarHBondContact O-N 3.22Å; L1130-L1134 HydrophobicContact CG-CD1 4.27Å; L1130-L1134 WeakPolarHBondContact O-CG 3.32Å; L1130-L1134 PolarHBondContact O-N 3.42Å
1131M95Very high94Very high19 Ų1970.5 Ų70.59%0.09437%0.368CS..Hα-helixtrans-59.6-45.8174.3-171.7-173.976.600111.5V1086 L1108 W1120 T1127 K1128 K1133 L1134 Q1135V1086-M1131 HydrophobicContact CG1-CB 4.21Å; V1086-M1131 HydrophobicContact CG2-CB 4.19Å; V1086-M1131 HydrophobicContact CG2-CG 4.29Å; V1086-M1131 HydrophobicContact CG2-SD 4.49Å; L1108-M1131 HydrophobicContact CB-SD 4.46Å; L1108-M1131 HydrophobicContact CD1-CG 4.47Å; L1108-M1131 HydrophobicContact CD1-SD 4.02Å; W1120-M1131 HydrophobicContact CH2-CE 4.07Å; W1120-M1131 HydrophobicContact CH2-SD 3.57Å; W1120-M1131 VanDerWaalsContact CH2-SD 3.57Å; W1120-M1131 HydrophobicContact CZ3-CE 4.01Å; W1120-M1131 HydrophobicContact CZ3-SD 3.79Å; T1127-M1131 PolarHBondContact O-N 2.87Å; K1128-M1131 WeakPolarHBondContact O-CB 3.44Å; K1128-M1131 PolarHBondContact O-N 3.37Å; M1131-K1133 VanDerWaalsContact C-N 3.29Å; M1131-K1133 PolarHBondContact O-N 2.77Å; M1131-L1134 PolarHBondContact O-N 2.92Å; M1131-Q1135 HydrophobicContact CG-CG 4.39Å; M1131-Q1135 WeakPolarHBondContact O-CB 3.41Å; M1131-Q1135 WeakPolarHBondContact O-CG 3.22Å; M1131-Q1135 PolarHBondContact O-N 2.98Å
1132D94.8Very high93.6Very high90 Ų9069.7 Ų69.748%0.48137%0.368SS..Hα-helixtrans-59.3-40177.2-59.4-30.1000111.4K1128 K1136K1128-D1132 PolarHBondContact O-N 2.93Å; D1132-K1136 VanDerWaalsContact O-CB 3.29Å; D1132-K1136 WeakPolarHBondContact O-CB 3.4Å; D1132-K1136 PolarHBondContact O-N 2.74Å
1133K95.7Very high93.1Very high115 Ų11571.1 Ų71.150%0.537%0.37SS..Hα-helixtrans-65.8-44.2175.3-179.1-168.5173.1-163.50111.9A1129 L1130 M1131 K1136 T1137A1129-K1133 WeakPolarHBondContact O-CB 3.4Å; A1129-K1133 PolarHBondContact O-N 3.02Å; L1130-K1133 WeakPolarHBondContact O-CB 3.48Å; L1130-K1133 PolarHBondContact O-N 3.22Å; M1131-K1133 VanDerWaalsContact C-N 3.29Å; M1131-K1133 PolarHBondContact O-N 2.77Å; K1133-K1136 PolarHBondContact O-N 3.13Å; K1133-T1137 PolarHBondContact O-N 2.89Å; K1133-T1137 VanDerWaalsContact O-N 3.1Å; K1133-T1137 PolarHBondContact O-OG1 2.98Å
1134L96.3Very high93Very high1 Ų172.4 Ų72.41%0.00538%0.375CS..Hα-helixtrans-63.7-50.9177.5-70.7167.1000110.6V1086 A1089 D1090 R1093 V1101 T1105 L1130 M1131 K1136 T1137 V1138V1086-L1134 HydrophobicContact CG1-CD1 4.29Å; A1089-L1134 HydrophobicContact CB-CD1 3.85Å; D1090-L1134 HydrophobicContact CB-CD1 4.29Å; D1090-L1134 HydrophobicContact CB-CD2 4.46Å; R1093-L1134 HydrophobicContact CB-CD2 3.95Å; R1093-L1134 HydrophobicContact CG-CD2 4.3Å; V1101-L1134 HydrophobicContact CG1-CB 4.36Å; V1101-L1134 HydrophobicContact CG1-CD2 4.09Å; T1105-L1134 HydrophobicContact CG2-CB 4.05Å; L1130-L1134 HydrophobicContact CG-CD1 4.27Å; L1130-L1134 WeakPolarHBondContact O-CG 3.32Å; L1130-L1134 PolarHBondContact O-N 3.42Å; M1131-L1134 PolarHBondContact O-N 2.92Å; L1134-K1136 VanDerWaalsContact C-N 3.3Å; L1134-K1136 PolarHBondContact O-N 2.85Å; L1134-T1137 WeakPolarHBondContact O-CA 3.31Å; L1134-T1137 VanDerWaalsContact O-CB 3.3Å; L1134-T1137 WeakPolarHBondContact O-CB 3.18Å; L1134-T1137 PolarHBondContact O-N 3.18Å; L1134-V1138 PolarHBondContact O-N 2.9Å; L1134-V1138 VanDerWaalsContact O-N 3.13Å
1135Q94.4Very high92.9Very high46 Ų4675.4 Ų75.422%0.21538%0.383CS..Hα-helixtrans-56.2-41.8175.1-72.3-1750.200112.1T1105 N1109 M1131 T1137 V1138 S1139T1105-Q1135 HydrophobicContact CG2-CG 3.99Å; N1109-Q1135 VanDerWaalsContact CG-NE2 3.33Å; N1109-Q1135 PolarHBondContact ND2-NE2 2.82Å; N1109-Q1135 PolarHBondContact OD1-NE2 3.49Å; M1131-Q1135 HydrophobicContact CG-CG 4.39Å; M1131-Q1135 WeakPolarHBondContact O-CB 3.41Å; M1131-Q1135 WeakPolarHBondContact O-CG 3.22Å; M1131-Q1135 PolarHBondContact O-N 2.98Å; Q1135-T1137 VanDerWaalsContact C-N 3.26Å; Q1135-T1137 PolarHBondContact O-N 2.89Å; Q1135-V1138 PolarHBondContact O-N 2.84Å; Q1135-S1139 WeakPolarHBondContact O-CA 3.34Å; Q1135-S1139 WeakPolarHBondContact O-CB 3.26Å; Q1135-S1139 PolarHBondContact O-N 3.24Å
1136K94.7Very high92.8Very high145 Ų14568.3 Ų68.363%0.6335%0.354SS*.Hα-helixtrans-63.3-30.6174.5-174.2170.4-178.3174.70113.1D1132 K1133 L1134 N1146D1132-K1136 VanDerWaalsContact O-CB 3.29Å; D1132-K1136 WeakPolarHBondContact O-CB 3.4Å; D1132-K1136 PolarHBondContact O-N 2.74Å; K1133-K1136 PolarHBondContact O-N 3.13Å; L1134-K1136 VanDerWaalsContact C-N 3.3Å; L1134-K1136 PolarHBondContact O-N 2.85Å; K1136-N1146 PolarHBondContact O-ND2 3.49Å
1137T93.3Very high92.8Very high26 Ų2660.4 Ų60.416%0.1632%0.317CS..Hα-helixtrans-71.4-46.8178.6-56.20000111.4Y1098 K1133 L1134 Q1135 L1147Y1098-T1137 HydrophobicContact CE1-CG2 4.4Å; K1133-T1137 PolarHBondContact O-N 2.89Å; K1133-T1137 VanDerWaalsContact O-N 3.1Å; K1133-T1137 PolarHBondContact O-OG1 2.98Å; L1134-T1137 WeakPolarHBondContact O-CA 3.31Å; L1134-T1137 VanDerWaalsContact O-CB 3.3Å; L1134-T1137 WeakPolarHBondContact O-CB 3.18Å; L1134-T1137 PolarHBondContact O-N 3.18Å; Q1135-T1137 VanDerWaalsContact C-N 3.26Å; Q1135-T1137 PolarHBondContact O-N 2.89Å; T1137-L1147 PolarHBondContact O-N 2.62Å
1138V93.9Very high92.7Very high2 Ų262.9 Ų62.91%0.01233%0.325CS..Hα-helixtrans-94.57.4-178.2-60.20000114.4V1101 L1102 L1134 Q1135 S1140V1101-V1138 HydrophobicContact CB-CG1 4.11Å; V1101-V1138 HydrophobicContact CG1-CG1 3.57Å; V1101-V1138 HydrophobicContact CG1-CG2 4.13Å; L1102-V1138 HydrophobicContact CB-CB 4.25Å; L1102-V1138 HydrophobicContact CB-CG1 4.48Å; L1102-V1138 HydrophobicContact CB-CG2 4.23Å; L1102-V1138 HydrophobicContact CD1-CB 4.04Å; L1102-V1138 HydrophobicContact CD1-CG2 3.67Å; L1134-V1138 PolarHBondContact O-N 2.9Å; L1134-V1138 VanDerWaalsContact O-N 3.13Å; Q1135-V1138 PolarHBondContact O-N 2.84Å; V1138-S1140 PolarHBondContact O-N 2.8Å
1139S92.9Very high92.6Very high34 Ų3464.8 Ų64.824%0.23833%0.334CS..  trans-53.7135.2179.8179.10000112.2Q1135 E1141 F1144Q1135-S1139 WeakPolarHBondContact O-CA 3.34Å; Q1135-S1139 WeakPolarHBondContact O-CB 3.26Å; Q1135-S1139 PolarHBondContact O-N 3.24Å; S1139-E1141 PolarHBondContact O-N 3.14Å; S1139-E1141 VanDerWaalsContact OG-CB 3.29Å; S1139-E1141 WeakPolarHBondContact OG-CB 3.41Å; S1139-E1141 PolarHBondContact OG-N 3.08Å; S1139-F1144 WeakPolarHBondContact O-CA 3.38Å
1140S90.4Very high92.5Very high84 Ų8464 Ų6459%0.58732%0.324SS*.  trans-69.5-9.7174.155.60000113.7V1138 G1142 R1143 F1144V1138-S1140 PolarHBondContact O-N 2.8Å; S1140-G1142 PolarHBondContact O-N 2.9Å; S1140-R1143 WeakPolarHBondContact O-CA 3.39Å; S1140-R1143 PolarHBondContact O-N 2.81Å; S1140-F1144 PolarHBondContact O-N 2.9Å; S1140-F1144 VanDerWaalsContact O-N 3.08Å
1141E87.4Confident92.3Very high140 Ų14062.2 Ų62.265%0.65431%0.314SS*.Hα-helixtrans-50.6134.5177.9-170.6-178.2-174.800112.3S1139 R1143 F1144 K1145S1139-E1141 PolarHBondContact O-N 3.14Å; S1139-E1141 VanDerWaalsContact OG-CB 3.29Å; S1139-E1141 WeakPolarHBondContact OG-CB 3.41Å; S1139-E1141 PolarHBondContact OG-N 3.08Å; E1141-R1143 PolarHBondContact O-N 3.32Å; E1141-F1144 PolarHBondContact O-N 3.38Å; E1141-K1145 PolarHBondContact O-N 3.04Å
1142G84.1Confident91.9Very high60 Ų6070 Ų7062%0.61935%0.347SS*.Hα-helixtrans63.823-17800000114.7S1140S1140-G1142 PolarHBondContact O-N 2.9Å
1143R86Confident91.4Very high148 Ų14872.3 Ų72.356%0.55836%0.36SS*.Hα-helixtrans62.657.8-168.6-56.2-175.4-66167.5-1.6112.1S1140 E1141 R1148S1140-R1143 WeakPolarHBondContact O-CA 3.39Å; S1140-R1143 PolarHBondContact O-N 2.81Å; E1141-R1143 PolarHBondContact O-N 3.32Å; R1143-R1148 PolarHBondContact O-NE 3.49Å; R1143-R1148 PolarHBondContact O-NH2 2.96Å
1144F92.5Very high90.9Very high30 Ų3067.3 Ų67.313%0.13234%0.339CS..Hα-helixtrans62.339.1-179.8-59.5-83000113.9L1102 S1139 S1140 E1141 N1146 L1147 R1148 Y1161 M1164L1102-F1144 HydrophobicContact CD2-CE1 4.46Å; S1139-F1144 WeakPolarHBondContact O-CA 3.38Å; S1140-F1144 PolarHBondContact O-N 2.9Å; S1140-F1144 VanDerWaalsContact O-N 3.08Å; E1141-F1144 PolarHBondContact O-N 3.38Å; F1144-N1146 PolarHBondContact O-N 3.33Å; F1144-L1147 HydrophobicContact CB-CB 4.24Å; F1144-L1147 HydrophobicContact CB-CD2 4.45Å; F1144-L1147 HydrophobicContact CD1-CD2 4.3Å; F1144-L1147 PolarHBondContact O-N 2.92Å; F1144-R1148 WeakPolarHBondContact O-CG 3.18Å; F1144-R1148 PolarHBondContact O-N 3.05Å; F1144-Y1161 HydrophobicContact CE1-CD1 4.04Å; F1144-Y1161 HydrophobicContact CE1-CE1 4.1Å; F1144-Y1161 HydrophobicContact CE2-CD1 4.44Å; F1144-Y1161 HydrophobicContact CE2-CE1 4.16Å; F1144-Y1161 AromaticContact CZ-CD1 3.96Å; F1144-Y1161 HydrophobicContact CZ-CD1 3.96Å; F1144-Y1161 AromaticContact CZ-CE1 3.62Å; F1144-Y1161 HydrophobicContact CZ-CE1 3.62Å; F1144-M1164 HydrophobicContact CB-CG 4.01Å; F1144-M1164 HydrophobicContact CB-SD 3.83Å; F1144-M1164 HydrophobicContact CD2-CB 4.02Å; F1144-M1164 HydrophobicContact CD2-CG 3.93Å; F1144-M1164 HydrophobicContact CE2-CB 4.47Å; F1144-M1164 HydrophobicContact CG-CB 4.4Å; F1144-M1164 HydrophobicContact CG-CG 4.19Å; F1144-M1164 HydrophobicContact CG-SD 4.49Å
1145K91.5Very high90.3Very high104 Ų10472.3 Ų72.345%0.45237%0.366SS..Hα-helixtrans-55.2-49.9-171.6-170.4-157.5163.4-156.20112.6E1141 L1147 R1148 E1149E1141-K1145 PolarHBondContact O-N 3.04Å; K1145-L1147 VanDerWaalsContact C-N 3.33Å; K1145-L1147 PolarHBondContact O-N 2.89Å; K1145-R1148 PolarHBondContact O-N 3.44Å; K1145-E1149 VanDerWaalsContact CE-CD 3.48Å; K1145-E1149 WeakPolarHBondContact CE-OE1 3.08Å; K1145-E1149 IonicContact NZ-OE1 3.56Å; K1145-E1149 PolarHBondContact NZ-OE1 3.45Å; K1145-E1149 IonicContact NZ-OE2 2.71Å; K1145-E1149 PolarHBondContact O-N 2.88Å
1146N93.2Very high90Very high40 Ų4071.9 Ų71.921%0.21437%0.367CS..Hα-helixtrans-66.9-36.9-175.9-56.2-22.5000111.3K1136 F1144 E1149 T1150K1136-N1146 PolarHBondContact O-ND2 3.49Å; F1144-N1146 PolarHBondContact O-N 3.33Å; N1146-E1149 PolarHBondContact O-N 3.2Å; N1146-T1150 WeakPolarHBondContact O-CB 3.46Å; N1146-T1150 PolarHBondContact O-N 3.39Å; N1146-T1150 PolarHBondContact O-OG1 3.12Å
1147L93.8Very high89.9Confident0 Ų067 Ų670%035%0.351CS..Hα-helixtrans-66.3-42.3175.6177.459.4000111.1Y1098 T1137 F1144 K1145 T1150 L1151 M1164Y1098-L1147 HydrophobicContact CD1-CD1 3.73Å; Y1098-L1147 HydrophobicContact CD2-CD1 4.4Å; Y1098-L1147 HydrophobicContact CG-CD1 3.64Å; T1137-L1147 PolarHBondContact O-N 2.62Å; F1144-L1147 HydrophobicContact CB-CB 4.24Å; F1144-L1147 HydrophobicContact CB-CD2 4.45Å; F1144-L1147 HydrophobicContact CD1-CD2 4.3Å; F1144-L1147 PolarHBondContact O-N 2.92Å; K1145-L1147 VanDerWaalsContact C-N 3.33Å; K1145-L1147 PolarHBondContact O-N 2.89Å; L1147-T1150 WeakPolarHBondContact O-CB 3.42Å; L1147-T1150 PolarHBondContact O-N 2.64Å; L1147-T1150 VanDerWaalsContact O-N 3.15Å; L1147-L1151 HydrophobicContact CD1-CD1 3.99Å; L1147-L1151 HydrophobicContact CD1-CG 3.98Å; L1147-L1151 HydrophobicContact CG-CD1 3.88Å; L1147-L1151 HydrophobicContact CG-CG 4.32Å; L1147-L1151 WeakPolarHBondContact O-CB 3.46Å; L1147-L1151 WeakPolarHBondContact O-CG 3.31Å; L1147-L1151 PolarHBondContact O-N 3.32Å; L1147-M1164 HydrophobicContact CD2-SD 4.25Å; L1147-M1164 HydrophobicContact CG-SD 4.44Å
1148R92.1Very high89.9Confident71 Ų7165.8 Ų65.827%0.26834%0.343SS..Hα-helixtrans-64.1-43.3175.5-67.3175-168.2-91.910.2112.9R1143 F1144 K1145 T1150 L1151 K1152 M1164 D1168R1143-R1148 PolarHBondContact O-NE 3.49Å; R1143-R1148 PolarHBondContact O-NH2 2.96Å; F1144-R1148 WeakPolarHBondContact O-CG 3.18Å; F1144-R1148 PolarHBondContact O-N 3.05Å; K1145-R1148 PolarHBondContact O-N 3.44Å; R1148-T1150 PolarHBondContact O-N 2.97Å; R1148-L1151 PolarHBondContact O-N 3.44Å; R1148-K1152 VanDerWaalsContact O-CB 3.29Å; R1148-K1152 WeakPolarHBondContact O-CB 3.46Å; R1148-K1152 PolarHBondContact O-N 2.8Å; R1148-M1164 HydrophobicContact CG-CE 4.28Å; R1148-M1164 HydrophobicContact CG-SD 3.44Å; R1148-M1164 WeakPolarHBondContact CG-SD 3.5Å; R1148-D1168 IonicContact CZ-OD1 2.7Å; R1148-D1168 IonicContact CZ-OD2 3.54Å; R1148-D1168 IonicContact NH1-OD1 3.49Å; R1148-D1168 IonicContact NH1-OD2 2.64Å; R1148-D1168 PolarHBondContact NH1-OD2 3.44Å; R1148-D1168 IonicContact NH2-OD1 3.46Å; R1148-D1168 PolarHBondContact NH2-OD1 3Å; R1148-D1168 IonicContact NH2-OD2 3.07Å; R1148-D1168 PolarHBondContact NH2-OD2 3.32Å
1149E91.9Very high90Very high99 Ų9965.8 Ų65.846%0.46334%0.343SS..Hα-helixtrans-63-30.7173.4-73.6-179.7169.700111.6K1145 N1146 N1153K1145-E1149 VanDerWaalsContact CE-CD 3.48Å; K1145-E1149 WeakPolarHBondContact CE-OE1 3.08Å; K1145-E1149 IonicContact NZ-OE1 3.56Å; K1145-E1149 PolarHBondContact NZ-OE1 3.45Å; K1145-E1149 IonicContact NZ-OE2 2.71Å; K1145-E1149 PolarHBondContact O-N 2.88Å; N1146-E1149 PolarHBondContact O-N 3.2Å; E1149-N1153 PolarHBondContact O-ND2 3.24Å
1150T92.3Very high90.1Very high44 Ų4464.2 Ų64.227%0.2733%0.332SS..Hα-helixtrans-72-54.8173.4-52.40000111.5Y1098 N1146 L1147 R1148 K1152 N1153 C1154Y1098-T1150 HydrophobicContact CE1-CG2 3.71Å; Y1098-T1150 WeakPolarHBondContact OH-CG2 3.18Å; N1146-T1150 WeakPolarHBondContact O-CB 3.46Å; N1146-T1150 PolarHBondContact O-N 3.39Å; N1146-T1150 PolarHBondContact O-OG1 3.12Å; L1147-T1150 WeakPolarHBondContact O-CB 3.42Å; L1147-T1150 PolarHBondContact O-N 2.64Å; L1147-T1150 VanDerWaalsContact O-N 3.15Å; R1148-T1150 PolarHBondContact O-N 2.97Å; T1150-K1152 VanDerWaalsContact C-N 3.29Å; T1150-K1152 PolarHBondContact O-N 3.41Å; T1150-N1153 CarbonylContact O-C 3.56Å; T1150-N1153 PolarHBondContact O-N 2.92Å; T1150-C1154 PolarHBondContact O-N 3.35Å
1151L91.1Very high90.3Very high9 Ų962.9 Ų62.95%0.04731%0.314CS..Hα-helixtrans-59.5-36-178.5-72.1171.8000112.9Y1098 L1147 R1148 N1153 C1154 C1158 P1160 M1164 F1203Y1098-L1151 HydrophobicContact CD2-CD2 3.76Å; Y1098-L1151 HydrophobicContact CE2-CD2 4.09Å; L1147-L1151 HydrophobicContact CD1-CD1 3.99Å; L1147-L1151 HydrophobicContact CD1-CG 3.98Å; L1147-L1151 HydrophobicContact CG-CD1 3.88Å; L1147-L1151 HydrophobicContact CG-CG 4.32Å; L1147-L1151 WeakPolarHBondContact O-CB 3.46Å; L1147-L1151 WeakPolarHBondContact O-CG 3.31Å; L1147-L1151 PolarHBondContact O-N 3.32Å; R1148-L1151 PolarHBondContact O-N 3.44Å; L1151-N1153 PolarHBondContact O-N 3.17Å; L1151-C1154 WeakPolarHBondContact O-CB 3.36Å; L1151-C1154 PolarHBondContact O-N 3.42Å; L1151-C1158 VanDerWaalsContact CD2-SG 3.51Å; L1151-P1160 HydrophobicContact CD1-CB 3.79Å; L1151-P1160 HydrophobicContact CD2-CB 3.93Å; L1151-M1164 HydrophobicContact CD1-CE 3.76Å; L1151-F1203 HydrophobicContact CD2-CZ 4.46Å
1152K87.1Confident90.6Very high182 Ų18256.7 Ų56.779%0.79129%0.286SS*.THydrogen-bonded Turntrans-61-27175.5-178175.4177.3-176.40113.4R1148 T1150R1148-K1152 VanDerWaalsContact O-CB 3.29Å; R1148-K1152 WeakPolarHBondContact O-CB 3.46Å; R1148-K1152 PolarHBondContact O-N 2.8Å; T1150-K1152 VanDerWaalsContact C-N 3.29Å; T1150-K1152 PolarHBondContact O-N 3.41Å
1153N84.4Confident91Very high138 Ų13854.6 Ų54.674%0.73826%0.264SS*.THydrogen-bonded Turntrans-101.95.1177.2-62.3-54.4000112.3E1149 T1150 L1151E1149-N1153 PolarHBondContact O-ND2 3.24Å; T1150-N1153 CarbonylContact O-C 3.56Å; T1150-N1153 PolarHBondContact O-N 2.92Å; L1151-N1153 PolarHBondContact O-N 3.17Å
1154C86.3Confident91.3Very high11 Ų1147.6 Ų47.67%0.07424%0.238CC..PPolyproline II helixtrans-96.3125.5-176.3-165.60000110.9N1096 T1150 L1151N1096-C1154 PolarHBondContact OD1-SG 3.37Å; T1150-C1154 PolarHBondContact O-N 3.35Å; L1151-C1154 WeakPolarHBondContact O-CB 3.36Å; L1151-C1154 PolarHBondContact O-N 3.42Å
1155N83.5Confident91.4Very high106 Ų10646.5 Ų46.557%0.56723%0.233SC*.PPolyproline II helixtrans-84147.5167.3-66.5-45.9000109.8
1156P87.9Confident91.5Very high36 Ų3642.6 Ų42.623%0.23422%0.216CC..SBendtrans-61.7155.9166.8-20.432.9000112.1Q1202 F1203 T1206P1156-Q1202 HydrophobicContact CG-CG 4.24Å; P1156-Q1202 WeakPolarHBondContact CG-O 3.38Å; P1156-F1203 HydrophobicContact CG-CD1 4.03Å; P1156-F1203 HydrophobicContact CG-CE1 4.38Å; P1156-T1206 HydrophobicContact CB-CG2 4.13Å
1157P91.4Very high91.4Very high44 Ų4444.4 Ų44.429%0.28623%0.229SC..SBendcis-70.7146.3-231.2-36.1000112.6N1096 T1206 Y1208N1096-P1157 PolarHBondContact ND2-O 3.3Å; P1157-T1206 HydrophobicContact CB-CG2 4.26Å; P1157-Y1208 HydrophobicContact CB-CD1 4.05Å; P1157-Y1208 HydrophobicContact CB-CD2 3.91Å; P1157-Y1208 HydrophobicContact CB-CE1 3.97Å; P1157-Y1208 HydrophobicContact CB-CE2 3.84Å; P1157-Y1208 HydrophobicContact CB-CG 4.04Å; P1157-Y1208 HydrophobicContact CG-CD1 4.09Å; P1157-Y1208 HydrophobicContact CG-CE1 4.1Å; P1157-Y1208 HydrophobicContact CG-CG 4.45Å
1158C94.5Very high91.1Very high0 Ų045.4 Ų45.40%024%0.235CC..  trans-162.6142.8-175.8170.10000108.7N1096 L1151 F1203 Y1208N1096-C1158 HydrophobicContact CB-CB 3.81Å; N1096-C1158 WeakPolarHBondContact O-CA 3.19Å; N1096-C1158 PolarHBondContact O-SG 3.21Å; L1151-C1158 VanDerWaalsContact CD2-SG 3.51Å; C1158-F1203 HydrophobicContact CB-CD1 3.65Å; C1158-F1203 HydrophobicContact CB-CE1 3.97Å; C1158-F1203 HydrophobicContact CB-CG 4.49Å; C1158-Y1208 WeakPolarHBondContact CA-OH 3.33Å; C1158-Y1208 PolarHBondContact N-OH 3.2Å
1159V95.6Very high91.1Very high2 Ų242 Ų421%0.01222%0.222CC..BIsolated β-bridgetrans-113.4108.3167.2-167.80000109.1D1022 H1023 F1026 N1096 Y1098 N1099 Y1208D1022-V1159 HydrophobicContact CB-CG1 4.22Å; D1022-V1159 HydrophobicContact CB-CG2 4.23Å; H1023-V1159 HydrophobicContact CB-CG2 3.84Å; F1026-V1159 HydrophobicContact CB-CG1 4.15Å; F1026-V1159 HydrophobicContact CD1-CG1 4.38Å; F1026-V1159 HydrophobicContact CG-CG1 4.2Å; N1096-V1159 PolarHBondContact O-N 2.93Å; Y1098-V1159 PolarHBondContact N-O 3.28Å; N1099-V1159 HydrophobicContact CB-CB 4.5Å; N1099-V1159 HydrophobicContact CB-CG1 3.88Å; N1099-V1159 PolarHBondContact N-O 3.09Å; V1159-Y1208 HydrophobicContact CG2-CE2 3.76Å; V1159-Y1208 PolarHBondContact N-OH 3.41Å
1160P95Very high90.9Very high1 Ų137.9 Ų37.91%0.00620%0.204CC..  trans-81.1154.2174.634.5-34.7000111.2F1026 L1151 L1162 Y1165 F1203F1026-P1160 HydrophobicContact CE1-CG 4.32Å; F1026-P1160 HydrophobicContact CE2-CG 3.97Å; F1026-P1160 HydrophobicContact CZ-CG 3.66Å; L1151-P1160 HydrophobicContact CD1-CB 3.79Å; L1151-P1160 HydrophobicContact CD2-CB 3.93Å; P1160-L1162 PolarHBondContact O-N 2.85Å; P1160-Y1165 HydrophobicContact CB-CE2 3.82Å; P1160-Y1165 HydrophobicContact CG-CE2 3.81Å; P1160-F1203 HydrophobicContact CG-CB 4.45Å; P1160-F1203 HydrophobicContact CG-CD2 4.01Å; P1160-F1203 HydrophobicContact CG-CG 4.42Å
1161Y94.9Very high90.7Very high55 Ų5542.2 Ų42.222%0.21622%0.22CC..  trans-67.1115.3171.5173.2-120.9000111.2F1058 L1102 F1144 G1163 M1164F1058-Y1161 HydrophobicContact CD2-CD2 4.45Å; F1058-Y1161 HydrophobicContact CD2-CE2 4.25Å; F1058-Y1161 AromaticContact CE2-CD2 3.98Å; F1058-Y1161 HydrophobicContact CE2-CD2 3.98Å; F1058-Y1161 AromaticContact CE2-CE2 3.78Å; F1058-Y1161 HydrophobicContact CE2-CE2 3.78Å; F1058-Y1161 HydrophobicContact CZ-CE2 4.05Å; L1102-Y1161 HydrophobicContact CD2-CD1 3.7Å; L1102-Y1161 HydrophobicContact CD2-CD2 3.58Å; L1102-Y1161 HydrophobicContact CD2-CE1 3.88Å; L1102-Y1161 HydrophobicContact CD2-CE2 3.75Å; L1102-Y1161 HydrophobicContact CD2-CG 3.54Å; F1144-Y1161 HydrophobicContact CE1-CD1 4.04Å; F1144-Y1161 HydrophobicContact CE1-CE1 4.1Å; F1144-Y1161 HydrophobicContact CE2-CD1 4.44Å; F1144-Y1161 HydrophobicContact CE2-CE1 4.16Å; F1144-Y1161 AromaticContact CZ-CD1 3.96Å; F1144-Y1161 HydrophobicContact CZ-CD1 3.96Å; F1144-Y1161 AromaticContact CZ-CE1 3.62Å; F1144-Y1161 HydrophobicContact CZ-CE1 3.62Å; Y1161-G1163 PolarHBondContact O-N 2.92Å; Y1161-M1164 HydrophobicContact CD1-CB 4.1Å; Y1161-M1164 WeakPolarHBondContact O-CB 3.29Å; Y1161-M1164 PolarHBondContact O-N 3.04Å
1162L94.4Very high90.4Very high11 Ų1142.5 Ų42.56%0.05822%0.221CC..Hα-helixtrans-63.2-39.1-172.3-174.367.6000113.2F1026 I1029 F1034 I1051 T1054 P1160 M1164 Y1165 L1166F1026-L1162 HydrophobicContact CD2-CD1 4.38Å; F1026-L1162 HydrophobicContact CE2-CD1 4.19Å; I1029-L1162 HydrophobicContact CD1-CD1 4.1Å; I1029-L1162 HydrophobicContact CD1-CD2 3.62Å; F1034-L1162 HydrophobicContact CE1-CD1 3.95Å; F1034-L1162 HydrophobicContact CZ-CD1 4.14Å; I1051-L1162 HydrophobicContact CG1-CD2 4.49Å; I1051-L1162 HydrophobicContact CG2-CD2 4.33Å; T1054-L1162 HydrophobicContact CG2-CD2 4.07Å; P1160-L1162 PolarHBondContact O-N 2.85Å; L1162-M1164 PolarHBondContact O-N 3.42Å; L1162-M1164 VanDerWaalsContact O-N 3.1Å; L1162-Y1165 PolarHBondContact O-N 3.25Å; L1162-L1166 HydrophobicContact CD2-CD1 4.22Å; L1162-L1166 HydrophobicContact CG-CD1 4.09Å; L1162-L1166 HydrophobicContact CG-CG 4.14Å; L1162-L1166 PolarHBondContact O-N 3.33Å; L1162-L1166 VanDerWaalsContact O-N 3.16Å
1163G91.6Very high90.3Very high15 Ų1534.7 Ų34.716%0.15519%0.187CC..Hα-helixtrans-59.5-25.2-176.500000114.1Y1161 T1167Y1161-G1163 PolarHBondContact O-N 2.92Å; G1163-T1167 WeakPolarHBondContact O-CB 3.45Å; G1163-T1167 PolarHBondContact O-N 2.91Å; G1163-T1167 PolarHBondContact O-OG1 3.3Å
1164M93.3Very high90.2Very high2 Ų234.1 Ų34.11%0.0118%0.18CC..Hα-helixtrans-60-48.6172-178.3-173.470.800111.7F1144 L1147 R1148 L1151 Y1161 L1162 T1167 D1168F1144-M1164 HydrophobicContact CB-CG 4.01Å; F1144-M1164 HydrophobicContact CB-SD 3.83Å; F1144-M1164 HydrophobicContact CD2-CB 4.02Å; F1144-M1164 HydrophobicContact CD2-CG 3.93Å; F1144-M1164 HydrophobicContact CE2-CB 4.47Å; F1144-M1164 HydrophobicContact CG-CB 4.4Å; F1144-M1164 HydrophobicContact CG-CG 4.19Å; F1144-M1164 HydrophobicContact CG-SD 4.49Å; L1147-M1164 HydrophobicContact CD2-SD 4.25Å; L1147-M1164 HydrophobicContact CG-SD 4.44Å; R1148-M1164 HydrophobicContact CG-CE 4.28Å; R1148-M1164 HydrophobicContact CG-SD 3.44Å; R1148-M1164 WeakPolarHBondContact CG-SD 3.5Å; L1151-M1164 HydrophobicContact CD1-CE 3.76Å; Y1161-M1164 HydrophobicContact CD1-CB 4.1Å; Y1161-M1164 WeakPolarHBondContact O-CB 3.29Å; Y1161-M1164 PolarHBondContact O-N 3.04Å; L1162-M1164 PolarHBondContact O-N 3.42Å; L1162-M1164 VanDerWaalsContact O-N 3.1Å; M1164-T1167 PolarHBondContact O-N 2.87Å; M1164-D1168 PolarHBondContact O-N 3.32Å
1165Y93.9Very high89.8Confident7 Ų736.2 Ų36.23%0.02720%0.203CC..Hα-helixtrans-73.6-37.1-179.7-63.6-66.6000112.3P1160 L1162 T1167 D1168 L1169 I1196 E1199 I1200P1160-Y1165 HydrophobicContact CB-CE2 3.82Å; P1160-Y1165 HydrophobicContact CG-CE2 3.81Å; L1162-Y1165 PolarHBondContact O-N 3.25Å; Y1165-T1167 PolarHBondContact O-N 2.86Å; Y1165-D1168 PolarHBondContact O-N 2.97Å; Y1165-D1168 VanDerWaalsContact O-N 3.15Å; Y1165-L1169 WeakPolarHBondContact O-CG 3.5Å; Y1165-L1169 PolarHBondContact O-N 3.08Å; Y1165-I1196 HydrophobicContact CD1-CG2 3.84Å; Y1165-I1196 HydrophobicContact CG-CG2 4.24Å; Y1165-E1199 HydrophobicContact CE1-CB 4.3Å; Y1165-I1200 HydrophobicContact CD1-CG1 4.36Å; Y1165-I1200 HydrophobicContact CD2-CD1 4.34Å; Y1165-I1200 HydrophobicContact CD2-CG1 3.8Å; Y1165-I1200 HydrophobicContact CE2-CG1 4.13Å; Y1165-I1200 HydrophobicContact CG-CD1 4.15Å; Y1165-I1200 HydrophobicContact CG-CG1 3.91Å
1166L93.3Very high89.7Confident21 Ų2133.3 Ų33.311%0.1119%0.19CC..Hα-helixtrans-60.8-35.2174.3-60.7-179.5000111.7F1034 W1039 I1051 L1162 L1169 A1170F1034-L1166 HydrophobicContact CD1-CD2 3.89Å; F1034-L1166 HydrophobicContact CE1-CD2 4.02Å; W1039-L1166 HydrophobicContact CD2-CD2 4.06Å; W1039-L1166 HydrophobicContact CE3-CD2 4.27Å; W1039-L1166 HydrophobicContact CH2-CD2 4.3Å; W1039-L1166 HydrophobicContact CZ2-CB 4.23Å; W1039-L1166 HydrophobicContact CZ2-CD2 4.07Å; W1039-L1166 HydrophobicContact CZ3-CD2 4.4Å; I1051-L1166 HydrophobicContact CD1-CD2 4.01Å; I1051-L1166 HydrophobicContact CG2-CD1 3.79Å; L1162-L1166 HydrophobicContact CD2-CD1 4.22Å; L1162-L1166 HydrophobicContact CG-CD1 4.09Å; L1162-L1166 HydrophobicContact CG-CG 4.14Å; L1162-L1166 PolarHBondContact O-N 3.33Å; L1162-L1166 VanDerWaalsContact O-N 3.16Å; L1166-L1169 HydrophobicContact CD2-CD1 4.45Å; L1166-A1170 WeakPolarHBondContact O-CB 3.5Å; L1166-A1170 PolarHBondContact O-N 2.96Å
1167T90.1Very high89.7Confident78 Ų7835.8 Ų35.848%0.47921%0.206SC..Hα-helixtrans-65.9-41.3174.2-55.90000111.9G1163 M1164 Y1165 F1171G1163-T1167 WeakPolarHBondContact O-CB 3.45Å; G1163-T1167 PolarHBondContact O-N 2.91Å; G1163-T1167 PolarHBondContact O-OG1 3.3Å; M1164-T1167 PolarHBondContact O-N 2.87Å; Y1165-T1167 PolarHBondContact O-N 2.86Å; T1167-F1171 WeakPolarHBondContact O-CB 3.47Å; T1167-F1171 PolarHBondContact O-N 3.23Å
1168D89.1Confident89.6Confident22 Ų2235.6 Ų35.612%0.11820%0.202CC..Hα-helixtrans-69.6-40.3177.5-64.3-35.8000112.1R1148 M1164 Y1165 F1171 I1172 I1196R1148-D1168 IonicContact CZ-OD1 2.7Å; R1148-D1168 IonicContact CZ-OD2 3.54Å; R1148-D1168 IonicContact NH1-OD1 3.49Å; R1148-D1168 IonicContact NH1-OD2 2.64Å; R1148-D1168 PolarHBondContact NH1-OD2 3.44Å; R1148-D1168 IonicContact NH2-OD1 3.46Å; R1148-D1168 PolarHBondContact NH2-OD1 3Å; R1148-D1168 IonicContact NH2-OD2 3.07Å; R1148-D1168 PolarHBondContact NH2-OD2 3.32Å; M1164-D1168 PolarHBondContact O-N 3.32Å; Y1165-D1168 PolarHBondContact O-N 2.97Å; Y1165-D1168 VanDerWaalsContact O-N 3.15Å; D1168-F1171 PolarHBondContact O-N 3.01Å; D1168-I1172 WeakPolarHBondContact O-CD1 3.34Å; D1168-I1172 VanDerWaalsContact O-CG1 3.28Å; D1168-I1172 WeakPolarHBondContact O-CG1 3.25Å; D1168-I1172 PolarHBondContact O-N 3.27Å; D1168-I1196 HydrophobicContact CB-CD1 3.71Å
1169L91.2Very high89.5Confident0 Ų039.9 Ų39.90%022%0.221CC..Hα-helixtrans-62.3-45.4174.4-72.1164.9000111.3F1034 W1039 Y1165 L1166 F1171 I1172 E1173 I1193 I1196F1034-L1169 HydrophobicContact CB-CD1 3.84Å; F1034-L1169 HydrophobicContact CD1-CD1 4.05Å; F1034-L1169 HydrophobicContact CG-CD1 4.2Å; W1039-L1169 HydrophobicContact CH2-CB 3.84Å; W1039-L1169 HydrophobicContact CH2-CD1 4.2Å; W1039-L1169 HydrophobicContact CZ2-CB 4.07Å; Y1165-L1169 WeakPolarHBondContact O-CG 3.5Å; Y1165-L1169 PolarHBondContact O-N 3.08Å; L1166-L1169 HydrophobicContact CD2-CD1 4.45Å; L1169-F1171 PolarHBondContact O-N 3.26Å; L1169-I1172 PolarHBondContact O-N 2.85Å; L1169-E1173 WeakPolarHBondContact O-CB 3.25Å; L1169-E1173 VanDerWaalsContact O-CG 3.28Å; L1169-E1173 WeakPolarHBondContact O-CG 3.39Å; L1169-E1173 PolarHBondContact O-N 3.21Å; L1169-I1193 HydrophobicContact CD2-CB 4.5Å; L1169-I1193 HydrophobicContact CD2-CG1 4.41Å; L1169-I1193 HydrophobicContact CD2-CG2 4.13Å; L1169-I1196 HydrophobicContact CD1-CG2 4.15Å; L1169-I1196 HydrophobicContact CD2-CB 4.16Å; L1169-I1196 HydrophobicContact CD2-CD1 4Å; L1169-I1196 HydrophobicContact CD2-CG2 4.11Å; L1169-I1196 HydrophobicContact CG-CD1 4.12Å; L1169-I1196 HydrophobicContact CG-CG2 3.98Å
1170A88.6Confident89.2Confident11 Ų1141.4 Ų41.49%0.09123%0.23CC..Hα-helixtrans-59.3-44.6174.800000112M1040 L1166 I1172 E1173 E1174M1040-A1170 HydrophobicContact SD-CB 3.73Å; L1166-A1170 WeakPolarHBondContact O-CB 3.5Å; L1166-A1170 PolarHBondContact O-N 2.96Å; A1170-I1172 VanDerWaalsContact C-N 3.32Å; A1170-I1172 PolarHBondContact O-N 2.88Å; A1170-E1173 PolarHBondContact O-N 3.18Å; A1170-E1173 VanDerWaalsContact O-N 3.17Å; A1170-E1174 WeakPolarHBondContact O-CB 3.32Å; A1170-E1174 WeakPolarHBondContact O-CG 3.48Å; A1170-E1174 PolarHBondContact O-N 2.93Å
1171F86.6Confident88.9Confident136 Ų13651.4 Ų51.460%0.59628%0.277SS*.Hα-helixtrans-62.5-35.8176.4-178.4-95.8000113.2T1167 D1168 L1169 G1175T1167-F1171 WeakPolarHBondContact O-CB 3.47Å; T1167-F1171 PolarHBondContact O-N 3.23Å; D1168-F1171 PolarHBondContact O-N 3.01Å; L1169-F1171 PolarHBondContact O-N 3.26Å; F1171-G1175 WeakPolarHBondContact O-CA 3.14Å; F1171-G1175 PolarHBondContact O-N 2.72Å
1172I85.4Confident88.4Confident14 Ų1456 Ų567%0.07230%0.301CS..Hα-helixtrans-71.6-37.8174.3-69.6160.9000111.3D1168 L1169 A1170 T1176 K1189 M1192 I1193 I1196D1168-I1172 WeakPolarHBondContact O-CD1 3.34Å; D1168-I1172 VanDerWaalsContact O-CG1 3.28Å; D1168-I1172 WeakPolarHBondContact O-CG1 3.25Å; D1168-I1172 PolarHBondContact O-N 3.27Å; L1169-I1172 PolarHBondContact O-N 2.85Å; A1170-I1172 VanDerWaalsContact C-N 3.32Å; A1170-I1172 PolarHBondContact O-N 2.88Å; I1172-T1176 PolarHBondContact O-N 2.83Å; I1172-K1189 HydrophobicContact CG2-CG 3.74Å; I1172-K1189 VanDerWaalsContact O-CE 3.3Å; I1172-K1189 WeakPolarHBondContact O-CE 3.47Å; I1172-M1192 HydrophobicContact CD1-CB 3.95Å; I1172-M1192 HydrophobicContact CD1-CE 4.29Å; I1172-M1192 HydrophobicContact CG1-CB 4.45Å; I1172-M1192 HydrophobicContact CG1-CE 3.97Å; I1172-M1192 HydrophobicContact CG2-CB 4.24Å; I1172-I1193 HydrophobicContact CG2-CD1 4.45Å; I1172-I1193 HydrophobicContact CG2-CG1 3.9Å; I1172-I1196 HydrophobicContact CD1-CD1 3.43Å; I1172-I1196 VanDerWaalsContact CD1-CD1 3.43Å
1173E85.4Confident88.1Confident19 Ų1957.7 Ų57.79%0.08932%0.32CS..Hα-helixtrans-69.5-45.3-179.1-75.2-80.1-164.800112.4G1036 Q1037 L1169 A1170 K1189G1036-E1173 VanDerWaalsContact CA-OE1 3.31Å; G1036-E1173 WeakPolarHBondContact CA-OE1 3.33Å; G1036-E1173 PolarHBondContact N-OE1 3.14Å; Q1037-E1173 HydrophobicContact CG-CB 3.44Å; Q1037-E1173 VanDerWaalsContact CG-CB 3.44Å; Q1037-E1173 HydrophobicContact CG-CG 3.7Å; L1169-E1173 WeakPolarHBondContact O-CB 3.25Å; L1169-E1173 VanDerWaalsContact O-CG 3.28Å; L1169-E1173 WeakPolarHBondContact O-CG 3.39Å; L1169-E1173 PolarHBondContact O-N 3.21Å; A1170-E1173 PolarHBondContact O-N 3.18Å; A1170-E1173 VanDerWaalsContact O-N 3.17Å; E1173-K1189 PolarHBondContact O-NZ 2.82Å; E1173-K1189 WeakPolarHBondContact OE2-CE 3.4Å; E1173-K1189 IonicContact OE2-NZ 2.63Å; E1173-K1189 PolarHBondContact OE2-NZ 3.32Å
1174E83Confident88.2Confident126 Ų12657.6 Ų57.659%0.58932%0.316SS*.Hα-helixtrans-76.2-40.9177.2-70.4164-154.400112.6Q1037 A1170 T1176Q1037-E1174 PolarHBondContact NE2-OE1 2.72Å; A1170-E1174 WeakPolarHBondContact O-CB 3.32Å; A1170-E1174 WeakPolarHBondContact O-CG 3.48Å; A1170-E1174 PolarHBondContact O-N 2.93Å; E1174-T1176 VanDerWaalsContact C-N 3.28Å; E1174-T1176 PolarHBondContact O-N 2.82Å
1175G77Confident88.3Confident54 Ų5457.5 Ų57.556%0.55732%0.316SS*.SBendtrans-78.1-3.3-174.600000115.1F1171F1171-G1175 WeakPolarHBondContact O-CA 3.14Å; F1171-G1175 PolarHBondContact O-N 2.72Å
1176T82.4Confident88.3Confident46 Ų4657.5 Ų57.528%0.28232%0.316SS..SBendtrans-156.9128.7-177-67.80000111.3I1172 E1174 N1186 K1189I1172-T1176 PolarHBondContact O-N 2.83Å; E1174-T1176 VanDerWaalsContact C-N 3.28Å; E1174-T1176 PolarHBondContact O-N 2.82Å; T1176-N1186 WeakPolarHBondContact CG2-ND2 3.33Å; T1176-K1189 HydrophobicContact CG2-CB 3.93Å; T1176-K1189 HydrophobicContact CG2-CD 4.08Å; T1176-K1189 HydrophobicContact CG2-CG 4.14Å; T1176-K1189 WeakPolarHBondContact O-CD 3.21Å; T1176-K1189 VanDerWaalsContact O-CE 3.26Å; T1176-K1189 WeakPolarHBondContact O-CE 3.35Å; T1176-K1189 PolarHBondContact O-NZ 3.24Å
1177P87.1Confident88.3Confident87 Ų8756.5 Ų56.557%0.56531%0.311SS*.  trans-74.6152.9179.931.2-36.2000112.9F1179 N1186P1177-F1179 VanDerWaalsContact C-N 3.33Å; P1177-N1186 VanDerWaalsContact O-CB 3.32Å; P1177-N1186 WeakPolarHBondContact O-CB 3.31Å; P1177-N1186 PolarHBondContact O-ND2 3.38Å
1178N89.4Confident88.2Confident41 Ų4154.7 Ų54.722%0.21930%0.301CS..SBendtrans-69.8-27.9177.3-75.9-16.2000113.5I669 N1186 K1189 M1190I669-N1178 HydrophobicContact CG2-CB 4.2Å; I669-N1178 WeakPolarHBondContact CG2-ND2 3.41Å; N1178-N1186 WeakPolarHBondContact O-CB 3.27Å; N1178-N1186 PolarHBondContact O-N 2.81Å; N1178-K1189 VanDerWaalsContact OD1-CD 3.26Å; N1178-K1189 WeakPolarHBondContact OD1-CD 3.38Å; N1178-K1189 WeakPolarHBondContact OD1-CE 3.41Å; N1178-K1189 PolarHBondContact OD1-NZ 2.87Å; N1178-M1190 HydrophobicContact CB-CE 4.35Å
1179F92.6Very high88.2Confident90 Ų9053.8 Ų53.840%0.39530%0.296SS..BIsolated β-bridgetrans-130.5154.7-179-56.9-89.7000110F670 P1177 L1184 V1185F670-F1179 HydrophobicContact CB-CE1 4.22Å; F670-F1179 HydrophobicContact CB-CZ 4.18Å; P1177-F1179 VanDerWaalsContact C-N 3.33Å; F1179-L1184 CarbonylContact C-O 3.58Å; F1179-L1184 VanDerWaalsContact CA-O 3.24Å; F1179-L1184 WeakPolarHBondContact CA-O 3.28Å; F1179-V1185 HydrophobicContact CD1-CG2 4.22Å; F1179-V1185 HydrophobicContact CE1-CG2 3.89Å
1180T90Very high88.3Confident33 Ų3353.8 Ų53.820%0.20230%0.296CS..  trans-77.6170.3166.263.50000111Y639 E1182 G1183 L1184Y639-T1180 HydrophobicContact CD1-CG2 3.42Å; Y639-T1180 VanDerWaalsContact CD1-CG2 3.42Å; Y639-T1180 HydrophobicContact CD2-CG2 4.17Å; Y639-T1180 HydrophobicContact CE1-CG2 3.75Å; Y639-T1180 HydrophobicContact CE2-CG2 4.41Å; Y639-T1180 HydrophobicContact CG-CG2 3.7Å; T1180-E1182 PolarHBondContact O-N 3.48Å; T1180-E1182 PolarHBondContact OG1-N 2.9Å; T1180-G1183 PolarHBondContact O-N 2.99Å; T1180-L1184 HydrophobicContact CG2-CB 4.32Å; T1180-L1184 PolarHBondContact N-O 3.19Å; T1180-L1184 WeakPolarHBondContact OG1-CB 3.39Å; T1180-L1184 PolarHBondContact OG1-N 3.42Å; T1180-L1184 VanDerWaalsContact OG1-N 3.08Å
1181E86.9Confident88.5Confident211 Ų21155.6 Ų55.699%0.98630%0.301SS*.THydrogen-bonded Turntrans-58.1-26.1170.7-64175.4-166.100112.3G1183E1181-G1183 VanDerWaalsContact C-N 3.29Å
1182E84.9Confident88.6Confident153 Ų15353.8 Ų53.872%0.71530%0.295SS*.THydrogen-bonded Turntrans-85.13.7175.9-59.5164.4152.800113T1180 L1184T1180-E1182 PolarHBondContact O-N 3.48Å; T1180-E1182 PolarHBondContact OG1-N 2.9Å; E1182-L1184 HydrophobicContact CB-CG 4.35Å; E1182-L1184 PolarHBondContact O-N 2.7Å
1183G89.1Confident88.8Confident46 Ų4653.1 Ų53.147%0.47429%0.292SS..  trans806.7179.100000115.7T1180 E1181T1180-G1183 PolarHBondContact O-N 2.99Å; E1181-G1183 VanDerWaalsContact C-N 3.29Å
1184L93.1Very high89.1Confident12 Ų1252.6 Ų52.66%0.06329%0.29CS..  trans-78.3133-179-51.8-176.4000111.3D622 F1179 T1180 E1182 N1186D622-L1184 HydrophobicContact CB-CD2 4.45Å; F1179-L1184 CarbonylContact C-O 3.58Å; F1179-L1184 VanDerWaalsContact CA-O 3.24Å; F1179-L1184 WeakPolarHBondContact CA-O 3.28Å; T1180-L1184 HydrophobicContact CG2-CB 4.32Å; T1180-L1184 PolarHBondContact N-O 3.19Å; T1180-L1184 WeakPolarHBondContact OG1-CB 3.39Å; T1180-L1184 PolarHBondContact OG1-N 3.42Å; T1180-L1184 VanDerWaalsContact OG1-N 3.08Å; E1182-L1184 HydrophobicContact CB-CG 4.35Å; E1182-L1184 PolarHBondContact O-N 2.7Å; L1184-N1186 PolarHBondContact O-N 3.26Å
1185V95.8Very high89.4Confident0 Ų051.1 Ų51.10%028%0.283CS..BIsolated β-bridgetrans-62.2127.8178.1-176.20000110.5Y639 A640 V642 L645 F670 F1179 F1187 M1190Y639-V1185 CarbonylContact C-O 3.53Å; Y639-V1185 VanDerWaalsContact CA-O 3.25Å; Y639-V1185 WeakPolarHBondContact CA-O 3.24Å; A640-V1185 PolarHBondContact N-O 3.43Å; A640-V1185 WeakPolarHBondContact O-CA 3.4Å; A640-V1185 VanDerWaalsContact O-CB 3.28Å; A640-V1185 WeakPolarHBondContact O-CB 3.37Å; A640-V1185 PolarHBondContact O-N 3.17Å; V642-V1185 HydrophobicContact CG2-CG2 3.88Å; L645-V1185 HydrophobicContact CD1-CB 3.92Å; L645-V1185 HydrophobicContact CD1-CG1 4.06Å; L645-V1185 HydrophobicContact CD1-CG2 4.15Å; F670-V1185 HydrophobicContact CB-CG1 3.96Å; F670-V1185 HydrophobicContact CB-CG2 3.68Å; F670-V1185 HydrophobicContact CD1-CG1 3.57Å; F670-V1185 HydrophobicContact CD2-CG1 4.36Å; F670-V1185 HydrophobicContact CD2-CG2 4.16Å; F670-V1185 HydrophobicContact CE1-CG1 4.1Å; F670-V1185 HydrophobicContact CG-CB 4.5Å; F670-V1185 HydrophobicContact CG-CG1 3.72Å; F670-V1185 HydrophobicContact CG-CG2 3.94Å; F1179-V1185 HydrophobicContact CD1-CG2 4.22Å; F1179-V1185 HydrophobicContact CE1-CG2 3.89Å; V1185-F1187 VanDerWaalsContact C-N 3.32Å; V1185-F1187 PolarHBondContact O-N 2.95Å; V1185-M1190 HydrophobicContact CG1-CE 3.95Å; V1185-M1190 HydrophobicContact CG1-CG 4.43Å
1186N92.9Very high90Very high8 Ų849.2 Ų49.24%0.04326%0.26CS..  trans-78.276.9177.4-169.8-14.8000112.3Y639 T1176 P1177 N1178 L1184 S1188 K1189 M1190Y639-N1186 HydrophobicContact CD1-CB 4.2Å; Y639-N1186 HydrophobicContact CE1-CB 4.27Å; T1176-N1186 WeakPolarHBondContact CG2-ND2 3.33Å; P1177-N1186 VanDerWaalsContact O-CB 3.32Å; P1177-N1186 WeakPolarHBondContact O-CB 3.31Å; P1177-N1186 PolarHBondContact O-ND2 3.38Å; N1178-N1186 WeakPolarHBondContact O-CB 3.27Å; N1178-N1186 PolarHBondContact O-N 2.81Å; L1184-N1186 PolarHBondContact O-N 3.26Å; N1186-S1188 PolarHBondContact O-N 2.71Å; N1186-S1188 VanDerWaalsContact O-N 3.08Å; N1186-S1188 WeakPolarHBondContact OD1-CB 3.32Å; N1186-S1188 PolarHBondContact OD1-N 3.39Å; N1186-K1189 HydrophobicContact CB-CB 4.23Å; N1186-K1189 WeakPolarHBondContact O-CB 3.37Å; N1186-K1189 PolarHBondContact O-N 3.34Å; N1186-K1189 PolarHBondContact OD1-N 2.84Å; N1186-K1189 VanDerWaalsContact OD1-N 3.16Å; N1186-M1190 WeakPolarHBondContact O-CG 3.15Å; N1186-M1190 PolarHBondContact O-N 2.85Å
1187F94Very high90.5Very high0 Ų047 Ų470%025%0.247CC..Hα-helixtrans-63.4-13.6179.5-150.4-98.3000113.8I637 R638 L645 F659 T662 F663 F670 V1185 M1190 R1191I637-F1187 HydrophobicContact CB-CB 4.48Å; I637-F1187 HydrophobicContact CB-CD1 4.29Å; I637-F1187 HydrophobicContact CG2-CB 3.97Å; I637-F1187 HydrophobicContact CG2-CG 4.43Å; R638-F1187 PolarHBondContact O-N 2.76Å; R638-F1187 VanDerWaalsContact O-N 3.11Å; L645-F1187 HydrophobicContact CD1-CD2 3.9Å; L645-F1187 HydrophobicContact CD1-CE2 4.38Å; L645-F1187 HydrophobicContact CD2-CB 4.48Å; L645-F1187 HydrophobicContact CD2-CD2 3.51Å; L645-F1187 HydrophobicContact CD2-CE2 3.83Å; L645-F1187 HydrophobicContact CD2-CG 3.98Å; L645-F1187 HydrophobicContact CG-CD2 4.39Å; F659-F1187 HydrophobicContact CD2-CD1 4.46Å; F659-F1187 AromaticContact CD2-CE1 3.51Å; F659-F1187 HydrophobicContact CD2-CE1 3.51Å; F659-F1187 HydrophobicContact CD2-CE2 4.47Å; F659-F1187 AromaticContact CD2-CZ 3.51Å; F659-F1187 HydrophobicContact CD2-CZ 3.51Å; F659-F1187 HydrophobicContact CE2-CD1 4.46Å; F659-F1187 AromaticContact CE2-CE1 3.71Å; F659-F1187 HydrophobicContact CE2-CE1 3.71Å; F659-F1187 AromaticContact CE2-CE2 3.91Å; F659-F1187 HydrophobicContact CE2-CE2 3.91Å; F659-F1187 AromaticContact CE2-CZ 3.38Å; F659-F1187 HydrophobicContact CE2-CZ 3.38Å; F659-F1187 HydrophobicContact CG-CZ 4.42Å; F659-F1187 HydrophobicContact CZ-CZ 4.2Å; T662-F1187 HydrophobicContact CG2-CD1 4.24Å; T662-F1187 HydrophobicContact CG2-CE1 3.54Å; T662-F1187 HydrophobicContact CG2-CE2 4.14Å; T662-F1187 HydrophobicContact CG2-CZ 3.5Å; T662-F1187 VanDerWaalsContact CG2-CZ 3.5Å; F663-F1187 HydrophobicContact CB-CE2 4.5Å; F663-F1187 HydrophobicContact CB-CZ 4.36Å; F663-F1187 HydrophobicContact CD2-CE2 4.44Å; F670-F1187 HydrophobicContact CZ-CE2 4.45Å; V1185-F1187 VanDerWaalsContact C-N 3.32Å; V1185-F1187 PolarHBondContact O-N 2.95Å; F1187-M1190 HydrophobicContact CD2-CB 4.32Å; F1187-M1190 HydrophobicContact CD2-CG 4.39Å; F1187-R1191 WeakPolarHBondContact O-CB 3.48Å; F1187-R1191 PolarHBondContact O-N 2.77Å; F1187-R1191 VanDerWaalsContact O-N 3.13Å
1188S88.4Confident90.6Very high39 Ų3950 Ų5027%0.27325%0.247SC..Hα-helixtrans-69.1-47.1168.8-47.60000111.5R638 N1186 M1190 R1191 M1192R638-S1188 VanDerWaalsContact CA-OG 3.27Å; R638-S1188 WeakPolarHBondContact CA-OG 3.49Å; R638-S1188 WeakPolarHBondContact CG-OG 3.45Å; R638-S1188 PolarHBondContact O-N 2.89Å; R638-S1188 VanDerWaalsContact O-N 3.11Å; R638-S1188 PolarHBondContact O-OG 3.3Å; R638-S1188 VanDerWaalsContact O-OG 3.04Å; N1186-S1188 PolarHBondContact O-N 2.71Å; N1186-S1188 VanDerWaalsContact O-N 3.08Å; N1186-S1188 WeakPolarHBondContact OD1-CB 3.32Å; N1186-S1188 PolarHBondContact OD1-N 3.39Å; S1188-M1190 VanDerWaalsContact C-N 3.34Å; S1188-R1191 WeakPolarHBondContact O-CB 3.48Å; S1188-R1191 PolarHBondContact O-N 2.77Å; S1188-M1192 PolarHBondContact O-N 2.61Å
1189K89.6Confident90.6Very high3 Ų351.3 Ų51.31%0.01325%0.252CS..Hα-helixtrans-59.9-45.6174-172.3-174.9177.4173.20110.9I1172 E1173 T1176 N1178 N1186 R1191 M1192 I1193I1172-K1189 HydrophobicContact CG2-CG 3.74Å; I1172-K1189 VanDerWaalsContact O-CE 3.3Å; I1172-K1189 WeakPolarHBondContact O-CE 3.47Å; E1173-K1189 PolarHBondContact O-NZ 2.82Å; E1173-K1189 WeakPolarHBondContact OE2-CE 3.4Å; E1173-K1189 IonicContact OE2-NZ 2.63Å; E1173-K1189 PolarHBondContact OE2-NZ 3.32Å; T1176-K1189 HydrophobicContact CG2-CB 3.93Å; T1176-K1189 HydrophobicContact CG2-CD 4.08Å; T1176-K1189 HydrophobicContact CG2-CG 4.14Å; T1176-K1189 WeakPolarHBondContact O-CD 3.21Å; T1176-K1189 VanDerWaalsContact O-CE 3.26Å; T1176-K1189 WeakPolarHBondContact O-CE 3.35Å; T1176-K1189 PolarHBondContact O-NZ 3.24Å; N1178-K1189 VanDerWaalsContact OD1-CD 3.26Å; N1178-K1189 WeakPolarHBondContact OD1-CD 3.38Å; N1178-K1189 WeakPolarHBondContact OD1-CE 3.41Å; N1178-K1189 PolarHBondContact OD1-NZ 2.87Å; N1186-K1189 HydrophobicContact CB-CB 4.23Å; N1186-K1189 WeakPolarHBondContact O-CB 3.37Å; N1186-K1189 PolarHBondContact O-N 3.34Å; N1186-K1189 PolarHBondContact OD1-N 2.84Å; N1186-K1189 VanDerWaalsContact OD1-N 3.16Å; K1189-R1191 PolarHBondContact O-N 3.49Å; K1189-M1192 WeakPolarHBondContact O-CB 3.49Å; K1189-M1192 PolarHBondContact O-N 3.41Å; K1189-I1193 HydrophobicContact CG-CD1 4.1Å; K1189-I1193 PolarHBondContact O-N 3.27Å
1190M93.4Very high90.6Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-57-38.9177.2-55.6-41.2158.400112.3T662 T666 I669 F670 N1178 V1185 N1186 F1187 S1188 M1192 I1193 S1194T662-M1190 HydrophobicContact CG2-CB 3.96Å; T666-M1190 HydrophobicContact CG2-CB 4.04Å; T666-M1190 HydrophobicContact CG2-SD 4.49Å; T666-M1190 WeakPolarHBondContact OG1-CB 3.35Å; I669-M1190 HydrophobicContact CB-CE 4.29Å; I669-M1190 HydrophobicContact CB-SD 4.36Å; I669-M1190 HydrophobicContact CD1-CE 4.49Å; I669-M1190 HydrophobicContact CD1-SD 3.75Å; I669-M1190 HydrophobicContact CG2-CE 3.67Å; I669-M1190 HydrophobicContact CG2-SD 4.28Å; F670-M1190 HydrophobicContact CD1-CE 4.4Å; F670-M1190 HydrophobicContact CE1-CG 4.22Å; N1178-M1190 HydrophobicContact CB-CE 4.35Å; V1185-M1190 HydrophobicContact CG1-CE 3.95Å; V1185-M1190 HydrophobicContact CG1-CG 4.43Å; N1186-M1190 WeakPolarHBondContact O-CG 3.15Å; N1186-M1190 PolarHBondContact O-N 2.85Å; F1187-M1190 HydrophobicContact CD2-CB 4.32Å; F1187-M1190 HydrophobicContact CD2-CG 4.39Å; S1188-M1190 VanDerWaalsContact C-N 3.34Å; M1190-M1192 VanDerWaalsContact C-N 3.34Å; M1190-M1192 PolarHBondContact O-N 3.49Å; M1190-I1193 PolarHBondContact O-N 2.75Å; M1190-S1194 VanDerWaalsContact O-CB 3.3Å; M1190-S1194 WeakPolarHBondContact O-CB 3.49Å; M1190-S1194 PolarHBondContact O-N 2.97Å
1191R92.1Very high90.5Very high49 Ų4947.2 Ų47.219%0.18523%0.23CC..Hα-helixtrans-64.9-35.1175.4-164.2-175.3-51.6-73-5.2112.9I637 T662 F1187 S1188 K1189 H1195I637-R1191 PolarHBondContact O-NH2 3.34Å; I637-R1191 VanDerWaalsContact O-NH2 3.12Å; T662-R1191 HydrophobicContact CG2-CB 4.17Å; F1187-R1191 WeakPolarHBondContact O-CB 3.48Å; F1187-R1191 PolarHBondContact O-N 2.77Å; F1187-R1191 VanDerWaalsContact O-N 3.13Å; S1188-R1191 WeakPolarHBondContact O-CB 3.48Å; S1188-R1191 PolarHBondContact O-N 2.77Å; K1189-R1191 PolarHBondContact O-N 3.49Å; R1191-H1195 WeakPolarHBondContact O-CB 3.25Å; R1191-H1195 PolarHBondContact O-N 3Å; R1191-H1195 VanDerWaalsContact O-N 3.11Å
1192M87.9Confident90.6Very high98 Ų9841.8 Ų41.848%0.48321%0.205SC..Hα-helixtrans-72-44.1176.2-62173.772.300111.5I1172 S1188 K1189 M1190 H1195 I1196I1172-M1192 HydrophobicContact CD1-CB 3.95Å; I1172-M1192 HydrophobicContact CD1-CE 4.29Å; I1172-M1192 HydrophobicContact CG1-CB 4.45Å; I1172-M1192 HydrophobicContact CG1-CE 3.97Å; I1172-M1192 HydrophobicContact CG2-CB 4.24Å; S1188-M1192 PolarHBondContact O-N 2.61Å; K1189-M1192 WeakPolarHBondContact O-CB 3.49Å; K1189-M1192 PolarHBondContact O-N 3.41Å; M1190-M1192 VanDerWaalsContact C-N 3.34Å; M1190-M1192 PolarHBondContact O-N 3.49Å; M1192-H1195 WeakPolarHBondContact O-CB 3.37Å; M1192-H1195 PolarHBondContact O-N 2.84Å; M1192-I1196 PolarHBondContact O-N 2.78Å
1193I90.4Very high90.9Very high0 Ų034.9 Ų34.90%017%0.172CC..Hα-helixtrans-60.8-49.8174.7-65.3171.6000110.4T666 I669 L1035 L1169 I1172 K1189 M1190 H1195 I1196 I1197T666-I1193 HydrophobicContact CG2-CB 4.37Å; T666-I1193 HydrophobicContact CG2-CG2 4.18Å; I669-I1193 HydrophobicContact CD1-CD1 4.11Å; L1035-I1193 HydrophobicContact CD2-CG2 3.71Å; L1169-I1193 HydrophobicContact CD2-CB 4.5Å; L1169-I1193 HydrophobicContact CD2-CG1 4.41Å; L1169-I1193 HydrophobicContact CD2-CG2 4.13Å; I1172-I1193 HydrophobicContact CG2-CD1 4.45Å; I1172-I1193 HydrophobicContact CG2-CG1 3.9Å; K1189-I1193 HydrophobicContact CG-CD1 4.1Å; K1189-I1193 PolarHBondContact O-N 3.27Å; M1190-I1193 PolarHBondContact O-N 2.75Å; I1193-H1195 PolarHBondContact O-N 3.4Å; I1193-I1196 PolarHBondContact O-N 2.85Å; I1193-I1197 HydrophobicContact CG2-CD1 3.75Å; I1193-I1197 HydrophobicContact CG2-CG1 4.41Å; I1193-I1197 WeakPolarHBondContact O-CG1 3.07Å; I1193-I1197 PolarHBondContact O-N 3.19Å
1194S91.2Very high90.9Very high8 Ų833.3 Ų33.36%0.05615%0.153CC..Hα-helixtrans-62.7-24.4177.5-179.40000113.6H665 M1190 R1198H665-S1194 PolarHBondContact ND1-OG 2.99Å; H665-S1194 VanDerWaalsContact ND1-OG 3.17Å; M1190-S1194 VanDerWaalsContact O-CB 3.3Å; M1190-S1194 WeakPolarHBondContact O-CB 3.49Å; M1190-S1194 PolarHBondContact O-N 2.97Å; S1194-R1198 WeakPolarHBondContact O-CB 3.36Å; S1194-R1198 PolarHBondContact O-N 2.88Å
1195H88.6Confident90.5Very high95 Ų9539.2 Ų39.244%0.4418%0.18SC..Hα-helixtrans-69.3-47.4174.5-176.8-7.2000110.9R1191 M1192 I1193 R1198 E1199R1191-H1195 WeakPolarHBondContact O-CB 3.25Å; R1191-H1195 PolarHBondContact O-N 3Å; R1191-H1195 VanDerWaalsContact O-N 3.11Å; M1192-H1195 WeakPolarHBondContact O-CB 3.37Å; M1192-H1195 PolarHBondContact O-N 2.84Å; I1193-H1195 PolarHBondContact O-N 3.4Å; H1195-R1198 PolarHBondContact O-N 3.41Å; H1195-E1199 IonicContact CE1-OE1 2.78Å; H1195-E1199 PolarHBondContact CE1-OE1 3.34Å; H1195-E1199 IonicContact ND1-OE1 3.22Å; H1195-E1199 PolarHBondContact O-N 2.91Å; H1195-E1199 VanDerWaalsContact O-N 3.14Å
1196I91.5Very high89.9Confident14 Ų1441.4 Ų41.47%0.07219%0.193CC..Hα-helixtrans-66-46.4178.7-66.8168.3000110.6Y1165 D1168 L1169 I1172 M1192 I1193 R1198 E1199 I1200Y1165-I1196 HydrophobicContact CD1-CG2 3.84Å; Y1165-I1196 HydrophobicContact CG-CG2 4.24Å; D1168-I1196 HydrophobicContact CB-CD1 3.71Å; L1169-I1196 HydrophobicContact CD1-CG2 4.15Å; L1169-I1196 HydrophobicContact CD2-CB 4.16Å; L1169-I1196 HydrophobicContact CD2-CD1 4Å; L1169-I1196 HydrophobicContact CD2-CG2 4.11Å; L1169-I1196 HydrophobicContact CG-CD1 4.12Å; L1169-I1196 HydrophobicContact CG-CG2 3.98Å; I1172-I1196 HydrophobicContact CD1-CD1 3.43Å; I1172-I1196 VanDerWaalsContact CD1-CD1 3.43Å; M1192-I1196 PolarHBondContact O-N 2.78Å; I1193-I1196 PolarHBondContact O-N 2.85Å; I1196-R1198 PolarHBondContact O-N 2.93Å; I1196-E1199 PolarHBondContact O-N 3.16Å; I1196-I1200 HydrophobicContact CG2-CD1 3.94Å; I1196-I1200 HydrophobicContact CG2-CG1 4.39Å; I1196-I1200 WeakPolarHBondContact O-CG1 3.35Å; I1196-I1200 PolarHBondContact O-N 3.23Å
1197I91.4Very high89.6Confident0 Ų043.8 Ų43.80%021%0.209CC..Hα-helixtrans-55.5-40.4176.2-69.7174000110.7H665 Y1031 F1034 L1035 I1193 I1200 R1201H665-I1197 HydrophobicContact CB-CD1 4.48Å; H665-I1197 VanDerWaalsContact CD2-CG2 3.45Å; H665-I1197 WeakPolarHBondContact CD2-CG2 3.42Å; Y1031-I1197 HydrophobicContact CD2-CG2 4.31Å; Y1031-I1197 HydrophobicContact CG-CG2 4.21Å; F1034-I1197 HydrophobicContact CB-CD1 4.24Å; F1034-I1197 HydrophobicContact CB-CG1 4.08Å; F1034-I1197 HydrophobicContact CD2-CG1 4.26Å; L1035-I1197 HydrophobicContact CD2-CD1 3.74Å; I1193-I1197 HydrophobicContact CG2-CD1 3.75Å; I1193-I1197 HydrophobicContact CG2-CG1 4.41Å; I1193-I1197 WeakPolarHBondContact O-CG1 3.07Å; I1193-I1197 PolarHBondContact O-N 3.19Å; I1197-I1200 PolarHBondContact O-N 2.8Å; I1197-R1201 HydrophobicContact CG2-CG 4.19Å; I1197-R1201 WeakPolarHBondContact O-CB 3.38Å; I1197-R1201 VanDerWaalsContact O-CG 3.24Å; I1197-R1201 WeakPolarHBondContact O-CG 3.39Å; I1197-R1201 PolarHBondContact O-N 2.93Å
1198R89Confident89.2Confident149 Ų14944.9 Ų44.956%0.56221%0.213SC*.Hα-helixtrans-68.4-33.2177.6-165.9-174.267.2160.12.5113.2S1194 H1195 I1196 Q1202S1194-R1198 WeakPolarHBondContact O-CB 3.36Å; S1194-R1198 PolarHBondContact O-N 2.88Å; H1195-R1198 PolarHBondContact O-N 3.41Å; I1196-R1198 PolarHBondContact O-N 2.93Å; R1198-Q1202 WeakPolarHBondContact O-CB 3.4Å; R1198-Q1202 PolarHBondContact O-N 2.72Å
1199E90.5Very high89.2Confident70 Ų7052.9 Ų52.933%0.32724%0.237SC..Hα-helixtrans-68.7-43.3173.2-70-172.8164.200111.7Y1165 H1195 I1196 Q1202 F1203Y1165-E1199 HydrophobicContact CE1-CB 4.3Å; H1195-E1199 IonicContact CE1-OE1 2.78Å; H1195-E1199 PolarHBondContact CE1-OE1 3.34Å; H1195-E1199 IonicContact ND1-OE1 3.22Å; H1195-E1199 PolarHBondContact O-N 2.91Å; H1195-E1199 VanDerWaalsContact O-N 3.14Å; I1196-E1199 PolarHBondContact O-N 3.16Å; E1199-Q1202 WeakPolarHBondContact O-CB 3.17Å; E1199-Q1202 PolarHBondContact O-N 2.9Å; E1199-F1203 WeakPolarHBondContact O-CD2 3.11Å
1200I92.3Very high89Confident0 Ų054.1 Ų54.10%024%0.244CC..Hα-helixtrans-58.9-52.4173.4-64.1169.4000110.1F1026 F1034 Y1165 I1196 I1197 Q1202 F1203 Q1204F1026-I1200 HydrophobicContact CE2-CG2 3.92Å; F1026-I1200 HydrophobicContact CZ-CG2 3.87Å; F1034-I1200 HydrophobicContact CD1-CD1 4.27Å; F1034-I1200 HydrophobicContact CD2-CD1 4.11Å; F1034-I1200 HydrophobicContact CE1-CD1 4.07Å; F1034-I1200 HydrophobicContact CE2-CD1 3.89Å; F1034-I1200 HydrophobicContact CE2-CG2 3.86Å; F1034-I1200 HydrophobicContact CG-CD1 4.31Å; F1034-I1200 HydrophobicContact CZ-CD1 3.87Å; F1034-I1200 HydrophobicContact CZ-CG2 3.97Å; Y1165-I1200 HydrophobicContact CD1-CG1 4.36Å; Y1165-I1200 HydrophobicContact CD2-CD1 4.34Å; Y1165-I1200 HydrophobicContact CD2-CG1 3.8Å; Y1165-I1200 HydrophobicContact CE2-CG1 4.13Å; Y1165-I1200 HydrophobicContact CG-CD1 4.15Å; Y1165-I1200 HydrophobicContact CG-CG1 3.91Å; I1196-I1200 HydrophobicContact CG2-CD1 3.94Å; I1196-I1200 HydrophobicContact CG2-CG1 4.39Å; I1196-I1200 WeakPolarHBondContact O-CG1 3.35Å; I1196-I1200 PolarHBondContact O-N 3.23Å; I1197-I1200 PolarHBondContact O-N 2.8Å; I1200-Q1202 PolarHBondContact O-N 2.88Å; I1200-F1203 PolarHBondContact O-N 3.02Å; I1200-Q1204 HydrophobicContact CG2-CG 4.3Å; I1200-Q1204 PolarHBondContact O-N 3.07Å
1201R88.4Confident88.6Confident36 Ų3662.1 Ų62.114%0.13628%0.282CS..Hα-helixtrans-64.8-22.6-178.1-69.1-174.379.3-153.70.3113.7H665 K936 I1197 F1203 Q1205H665-R1201 PolarHBondContact NE2-NH1 3.48Å; H665-R1201 VanDerWaalsContact NE2-NH1 3.15Å; K936-R1201 VanDerWaalsContact O-CZ 3.28Å; K936-R1201 PolarHBondContact O-NH1 2.86Å; K936-R1201 PolarHBondContact O-NH2 3.19Å; I1197-R1201 HydrophobicContact CG2-CG 4.19Å; I1197-R1201 WeakPolarHBondContact O-CB 3.38Å; I1197-R1201 VanDerWaalsContact O-CG 3.24Å; I1197-R1201 WeakPolarHBondContact O-CG 3.39Å; I1197-R1201 PolarHBondContact O-N 2.93Å; R1201-F1203 VanDerWaalsContact C-N 3.28Å; R1201-F1203 PolarHBondContact O-N 3.19Å; R1201-Q1205 VanDerWaalsContact O-CG 3.27Å; R1201-Q1205 WeakPolarHBondContact O-CG 3.26Å; R1201-Q1205 PolarHBondContact O-N 3.14Å; R1201-Q1205 PolarHBondContact O-NE2 2.86Å
1202Q89Confident88.3Confident98 Ų9862 Ų6246%0.45828%0.283SS..Hα-helixtrans-63.9-34.3172.3176176.8-36.300111.7P1156 R1198 E1199 I1200P1156-Q1202 HydrophobicContact CG-CG 4.24Å; P1156-Q1202 WeakPolarHBondContact CG-O 3.38Å; R1198-Q1202 WeakPolarHBondContact O-CB 3.4Å; R1198-Q1202 PolarHBondContact O-N 2.72Å; E1199-Q1202 WeakPolarHBondContact O-CB 3.17Å; E1199-Q1202 PolarHBondContact O-N 2.9Å; I1200-Q1202 PolarHBondContact O-N 2.88Å
1203F91.2Very high88.2Confident7 Ų760.2 Ų60.23%0.03127%0.273CS..Hα-helixtrans-87.6-29179-61.8-60.8000112.9F1026 L1151 P1156 C1158 P1160 E1199 I1200 R1201 Q1205F1026-F1203 HydrophobicContact CE1-CB 3.84Å; F1026-F1203 HydrophobicContact CZ-CB 4.15Å; L1151-F1203 HydrophobicContact CD2-CZ 4.46Å; P1156-F1203 HydrophobicContact CG-CD1 4.03Å; P1156-F1203 HydrophobicContact CG-CE1 4.38Å; C1158-F1203 HydrophobicContact CB-CD1 3.65Å; C1158-F1203 HydrophobicContact CB-CE1 3.97Å; C1158-F1203 HydrophobicContact CB-CG 4.49Å; P1160-F1203 HydrophobicContact CG-CB 4.45Å; P1160-F1203 HydrophobicContact CG-CD2 4.01Å; P1160-F1203 HydrophobicContact CG-CG 4.42Å; E1199-F1203 WeakPolarHBondContact O-CD2 3.11Å; I1200-F1203 PolarHBondContact O-N 3.02Å; R1201-F1203 VanDerWaalsContact C-N 3.28Å; R1201-F1203 PolarHBondContact O-N 3.19Å; F1203-Q1205 VanDerWaalsContact C-N 3.3Å; F1203-Q1205 PolarHBondContact O-N 3.04Å
1204Q89.3Confident87.8Confident14 Ų1463.7 Ų63.77%0.06530%0.296CS..Hα-helixtrans-68.7-23.2174.4-64.4178.1-5300113.8F1026 I1029 I1200F1026-Q1204 HydrophobicContact CD1-CG 3.96Å; F1026-Q1204 HydrophobicContact CE1-CB 4.41Å; F1026-Q1204 HydrophobicContact CE1-CG 3.53Å; F1026-Q1204 HydrophobicContact CZ-CG 3.87Å; F1026-Q1204 PolarHBondContact O-NE2 3.11Å; I1029-Q1204 PolarHBondContact O-NE2 3.19Å; I1200-Q1204 HydrophobicContact CG2-CG 4.3Å; I1200-Q1204 PolarHBondContact O-N 3.07Å
1205Q83.3Confident87.4Confident136 Ų13669.2 Ų69.264%0.63632%0.319SS*.THydrogen-bonded Turntrans-79.6-12.9-172-86.4169.357.100115.9R1201 F1203R1201-Q1205 VanDerWaalsContact O-CG 3.27Å; R1201-Q1205 WeakPolarHBondContact O-CG 3.26Å; R1201-Q1205 PolarHBondContact O-N 3.14Å; R1201-Q1205 PolarHBondContact O-NE2 2.86Å; F1203-Q1205 VanDerWaalsContact C-N 3.3Å; F1203-Q1205 PolarHBondContact O-N 3.04Å
1206T84.6Confident87.3Confident46 Ų4664.8 Ų64.828%0.28230%0.299SS..SBendtrans-120.2108.7-176.1-55.60000109.7H1023 P1156 P1157H1023-T1206 PolarHBondContact CE1-O 3.13Å; H1023-T1206 VanDerWaalsContact CE1-O 3.31Å; P1156-T1206 HydrophobicContact CB-CG2 4.13Å; P1157-T1206 HydrophobicContact CB-CG2 4.26Å
1207P84.7Confident86.9Confident57 Ų5764.4 Ų64.437%0.3730%0.297SS..  trans-71.8153.1-17929.8-34.6000112
1208Y87.3Confident86.5Confident24 Ų2466.4 Ų66.49%0.09431%0.307CS..  trans-74.1139.2167.6-79.5-92.3000111.1T1019 H1023 L1095 P1157 C1158 V1159 I1210T1019-Y1208 HydrophobicContact CG2-CD1 3.75Å; T1019-Y1208 HydrophobicContact CG2-CD2 4.19Å; T1019-Y1208 HydrophobicContact CG2-CE1 3.39Å; T1019-Y1208 HydrophobicContact CG2-CE2 3.86Å; T1019-Y1208 HydrophobicContact CG2-CG 4.12Å; T1019-Y1208 VanDerWaalsContact CG2-CZ 3.43Å; H1023-Y1208 HydrophobicContact CB-CD2 3.6Å; H1023-Y1208 HydrophobicContact CB-CE2 3.87Å; H1023-Y1208 AromaticContact CG-CD2 3.5Å; H1023-Y1208 AromaticContact CG-CE2 3.92Å; H1023-Y1208 AromaticContact ND1-CD2 3.65Å; H1023-Y1208 AromaticContact ND1-CE2 3.74Å; L1095-Y1208 HydrophobicContact CB-CE1 4.41Å; L1095-Y1208 WeakPolarHBondContact O-CE1 3.31Å; L1095-Y1208 PolarHBondContact O-OH 2.82Å; P1157-Y1208 HydrophobicContact CB-CD1 4.05Å; P1157-Y1208 HydrophobicContact CB-CD2 3.91Å; P1157-Y1208 HydrophobicContact CB-CE1 3.97Å; P1157-Y1208 HydrophobicContact CB-CE2 3.84Å; P1157-Y1208 HydrophobicContact CB-CG 4.04Å; P1157-Y1208 HydrophobicContact CG-CD1 4.09Å; P1157-Y1208 HydrophobicContact CG-CE1 4.1Å; P1157-Y1208 HydrophobicContact CG-CG 4.45Å; C1158-Y1208 WeakPolarHBondContact CA-OH 3.33Å; C1158-Y1208 PolarHBondContact N-OH 3.2Å; V1159-Y1208 HydrophobicContact CG2-CE2 3.76Å; V1159-Y1208 PolarHBondContact N-OH 3.41Å; Y1208-I1210 HydrophobicContact CD1-CD1 3.78Å; Y1208-I1210 HydrophobicContact CD1-CG1 4.46Å; Y1208-I1210 HydrophobicContact CG-CD1 4.08Å; Y1208-I1210 PolarHBondContact O-N 2.92Å
1209R86.8Confident86.4Confident206 Ų20659.5 Ų59.578%0.77728%0.28SS*.  trans-88.760.4170.5-58.8-171.5-169.2173.96.9110.5E403E403-R1209 IonicContact OE1-CZ 3.76Å; E403-R1209 IonicContact OE1-NH2 3.51Å; E403-R1209 PolarHBondContact OE1-NH2 2.72Å; E403-R1209 IonicContact OE2-CZ 2.85Å; E403-R1209 IonicContact OE2-NH2 3.55Å; E403-R1209 PolarHBondContact OE2-NH2 2.9Å
1210I87.2Confident86.3Confident29 Ų2956.6 Ų56.615%0.14927%0.267CS..  trans-111.3125179-67.5169.1000107.8E1016 T1019 L1020 Y1208E1016-I1210 HydrophobicContact CB-CD1 4.49Å; E1016-I1210 HydrophobicContact CB-CG2 3.9Å; T1019-I1210 HydrophobicContact CG2-CD1 3.95Å; L1020-I1210 HydrophobicContact CB-CG2 4.15Å; L1020-I1210 HydrophobicContact CD2-CG2 4.36Å; Y1208-I1210 HydrophobicContact CD1-CD1 3.78Å; Y1208-I1210 HydrophobicContact CD1-CG1 4.46Å; Y1208-I1210 HydrophobicContact CG-CD1 4.08Å; Y1208-I1210 PolarHBondContact O-N 2.92Å
1211E84.8Confident85.9Confident169 Ų16959.5 Ų59.579%0.7928%0.282SS*.  trans-73135.9174.3-66.7-177.8178.100110.2Q1017Q1017-E1211 PolarHBondContact NE2-O 2.96Å
1212H84.9Confident85.6Confident45 Ų4559.7 Ų59.721%0.20829%0.285CS..  trans-73.6131179.1177.7-133.1000111.4L989 L1020 P1214 T1217L989-H1212 HydrophobicContact CD1-CB 3.37Å; L1020-H1212 HydrophobicContact CD2-CB 3.96Å; H1212-P1214 WeakPolarHBondContact O-CD 3.36Å; H1212-T1217 PolarHBondContact CD2-OG1 3.01Å; H1212-T1217 WeakPolarHBondContact NE2-CB 3.41Å; H1212-T1217 PolarHBondContact NE2-OG1 3.42Å
1213Q85.3Confident85.1Confident61 Ų6161.4 Ų61.429%0.28529%0.291SS..  trans-117.391.3178-62-173.220.900110.3Q1017 K1215 V1216 T1217Q1017-Q1213 HydrophobicContact CG-CB 4.11Å; Q1213-K1215 PolarHBondContact O-N 2.97Å; Q1213-V1216 HydrophobicContact CB-CB 4.28Å; Q1213-V1216 HydrophobicContact CB-CG2 4.17Å; Q1213-V1216 PolarHBondContact O-N 2.99Å; Q1213-T1217 PolarHBondContact O-N 3.17Å; Q1213-T1217 VanDerWaalsContact O-N 3.11Å; Q1213-T1217 PolarHBondContact O-OG1 2.97Å
1214P82.4Confident84.6Confident74 Ų7466.8 Ų66.848%0.48133%0.325SS..Hα-helixtrans-51.4-36.5-170.9-30.334.2000115.1H1212 V1216 Q1218H1212-P1214 WeakPolarHBondContact O-CD 3.36Å; P1214-V1216 PolarHBondContact O-N 3.37Å; P1214-Q1218 VanDerWaalsContact O-CB 3.25Å; P1214-Q1218 WeakPolarHBondContact O-CB 3.07Å; P1214-Q1218 PolarHBondContact O-N 2.81Å
1215K82.6Confident84.2Confident123 Ų12368.9 Ų68.954%0.53534%0.336SS..Hα-helixtrans-59.1-43.3176.8-66.3174.9160.3-159.40113.6E1004 Q1213 Y1219E1004-K1215 WeakPolarHBondContact OE1-CD 3.26Å; E1004-K1215 WeakPolarHBondContact OE1-CE 3.38Å; E1004-K1215 IonicContact OE1-NZ 3.61Å; E1004-K1215 PolarHBondContact OE1-NZ 2.85Å; Q1213-K1215 PolarHBondContact O-N 2.97Å; K1215-Y1219 PolarHBondContact O-N 3.49Å
1216V85.8Confident84.3Confident3 Ų364.8 Ų64.82%0.01832%0.32CS..Hα-helixtrans-78.2-42.9-176.3179.50000108.9L1009 E1013 L1014 Q1017 Q1213 P1214 Q1218 Y1219 L1220L1009-V1216 HydrophobicContact CD1-CG1 4.44Å; L1009-V1216 HydrophobicContact CD1-CG2 4.49Å; L1009-V1216 HydrophobicContact CD2-CG2 4Å; E1013-V1216 HydrophobicContact CB-CG2 4.34Å; L1014-V1216 HydrophobicContact CD2-CG1 4.2Å; Q1017-V1216 HydrophobicContact CB-CB 4.44Å; Q1017-V1216 HydrophobicContact CB-CG1 3.86Å; Q1017-V1216 HydrophobicContact CG-CB 3.8Å; Q1017-V1216 HydrophobicContact CG-CG1 3.63Å; Q1213-V1216 HydrophobicContact CB-CB 4.28Å; Q1213-V1216 HydrophobicContact CB-CG2 4.17Å; Q1213-V1216 PolarHBondContact O-N 2.99Å; P1214-V1216 PolarHBondContact O-N 3.37Å; V1216-Q1218 VanDerWaalsContact C-N 3.3Å; V1216-Q1218 PolarHBondContact O-N 3.12Å; V1216-Y1219 PolarHBondContact O-N 3.31Å; V1216-L1220 HydrophobicContact CG1-CD1 4.09Å; V1216-L1220 VanDerWaalsContact O-CG 3.28Å; V1216-L1220 WeakPolarHBondContact O-CG 3.41Å; V1216-L1220 PolarHBondContact O-N 3.02Å
1217T84.5Confident84.4Confident6 Ų665 Ų654%0.03732%0.319CS..Hα-helixtrans-55.2-44.3170.8-53.30000112I994 L1021 H1212 Q1213 L1220 M1221I994-T1217 HydrophobicContact CG2-CG2 3.55Å; L1021-T1217 HydrophobicContact CD1-CG2 4.32Å; L1021-T1217 HydrophobicContact CD2-CG2 4.02Å; H1212-T1217 PolarHBondContact CD2-OG1 3.01Å; H1212-T1217 WeakPolarHBondContact NE2-CB 3.41Å; H1212-T1217 PolarHBondContact NE2-OG1 3.42Å; Q1213-T1217 PolarHBondContact O-N 3.17Å; Q1213-T1217 VanDerWaalsContact O-N 3.11Å; Q1213-T1217 PolarHBondContact O-OG1 2.97Å; T1217-L1220 PolarHBondContact O-N 3.47Å; T1217-M1221 HydrophobicContact CG2-CG 4.44Å; T1217-M1221 HydrophobicContact CG2-SD 3.78Å; T1217-M1221 WeakPolarHBondContact O-CB 3.48Å; T1217-M1221 WeakPolarHBondContact O-CG 3.42Å; T1217-M1221 PolarHBondContact O-N 2.87Å
1218Q82.8Confident84.5Confident42 Ų4266.3 Ų66.320%0.19632%0.323CS..Hα-helixtrans-61.3-46.1177.3-168.9-176.231.400111.8A998 C1000 P1214 V1216 L1220 M1221 D1222A998-Q1218 PolarHBondContact O-NE2 2.64Å; C1000-Q1218 PolarHBondContact O-NE2 2.9Å; P1214-Q1218 VanDerWaalsContact O-CB 3.25Å; P1214-Q1218 WeakPolarHBondContact O-CB 3.07Å; P1214-Q1218 PolarHBondContact O-N 2.81Å; V1216-Q1218 VanDerWaalsContact C-N 3.3Å; V1216-Q1218 PolarHBondContact O-N 3.12Å; Q1218-L1220 VanDerWaalsContact C-N 3.31Å; Q1218-L1220 PolarHBondContact O-N 3.46Å; Q1218-M1221 PolarHBondContact O-N 3.05Å; Q1218-D1222 WeakPolarHBondContact O-CB 3.41Å; Q1218-D1222 PolarHBondContact O-N 2.85Å
1219Y87Confident84.4Confident3 Ų370.7 Ų70.71%0.01234%0.344CS..Hα-helixtrans-59-40.7173.4169.2-91.9000112.4F1006 L1009 L1014 L1064 Q1068 K1215 V1216 M1221 L1225F1006-Y1219 HydrophobicContact CB-CE2 4.19Å; F1006-Y1219 HydrophobicContact CD2-CE1 4.28Å; F1006-Y1219 AromaticContact CD2-CZ 3.95Å; F1006-Y1219 WeakPolarHBondContact CD2-OH 3.38Å; L1009-Y1219 HydrophobicContact CD1-CD1 3.81Å; L1009-Y1219 HydrophobicContact CD1-CE1 4.47Å; L1009-Y1219 HydrophobicContact CD1-CG 3.89Å; L1014-Y1219 HydrophobicContact CD2-CD1 4.06Å; L1014-Y1219 HydrophobicContact CD2-CE1 4.07Å; L1064-Y1219 HydrophobicContact CD2-CE1 4.46Å; Q1068-Y1219 WeakPolarHBondContact CG-OH 3.35Å; Q1068-Y1219 PolarHBondContact OE1-OH 3.01Å; K1215-Y1219 PolarHBondContact O-N 3.49Å; V1216-Y1219 PolarHBondContact O-N 3.31Å; Y1219-M1221 VanDerWaalsContact C-N 3.28Å; Y1219-M1221 PolarHBondContact O-N 3.34Å; Y1219-L1225 HydrophobicContact CD2-CD1 3.68Å; Y1219-L1225 HydrophobicContact CE2-CD1 3.58Å
1220L87.4Confident84.5Confident9 Ų967.2 Ų67.25%0.04734%0.341CS..Hα-helixtrans-70.9-20.5179.4-68170.8000113.8L1014 Q1017 I1018 L1021 M1061 L1064 V1216 T1217 Q1218L1014-L1220 HydrophobicContact CD2-CD2 4Å; Q1017-L1220 HydrophobicContact CB-CD1 3.7Å; I1018-L1220 HydrophobicContact CD1-CD2 4Å; I1018-L1220 HydrophobicContact CG1-CD1 3.77Å; I1018-L1220 HydrophobicContact CG1-CD2 3.74Å; I1018-L1220 HydrophobicContact CG1-CG 4.41Å; L1021-L1220 HydrophobicContact CD1-CB 4.13Å; L1021-L1220 HydrophobicContact CD1-CD1 4.13Å; M1061-L1220 HydrophobicContact CE-CD2 4Å; M1061-L1220 HydrophobicContact SD-CB 4.42Å; M1061-L1220 HydrophobicContact SD-CD2 4.21Å; L1064-L1220 HydrophobicContact CD2-CD2 4.37Å; V1216-L1220 HydrophobicContact CG1-CD1 4.09Å; V1216-L1220 VanDerWaalsContact O-CG 3.28Å; V1216-L1220 WeakPolarHBondContact O-CG 3.41Å; V1216-L1220 PolarHBondContact O-N 3.02Å; T1217-L1220 PolarHBondContact O-N 3.47Å; Q1218-L1220 VanDerWaalsContact C-N 3.31Å; Q1218-L1220 PolarHBondContact O-N 3.46Å
1221M83.7Confident84.6Confident62 Ų6268.9 Ų68.931%0.30535%0.353SS..Hα-helixtrans-110.5-0.5-177.9-60.7-17685.700113.6I994 L995 L1021 T1217 Q1218 Y1219 K1223I994-M1221 HydrophobicContact CG2-CE 4.42Å; I994-M1221 HydrophobicContact CG2-SD 3.66Å; L995-M1221 HydrophobicContact CD2-CE 3.65Å; L995-M1221 HydrophobicContact CG-CE 4.37Å; L1021-M1221 HydrophobicContact CD1-CG 4.3Å; L1021-M1221 HydrophobicContact CD1-SD 4.45Å; L1021-M1221 HydrophobicContact CD2-SD 4.01Å; T1217-M1221 HydrophobicContact CG2-CG 4.44Å; T1217-M1221 HydrophobicContact CG2-SD 3.78Å; T1217-M1221 WeakPolarHBondContact O-CB 3.48Å; T1217-M1221 WeakPolarHBondContact O-CG 3.42Å; T1217-M1221 PolarHBondContact O-N 2.87Å; Q1218-M1221 PolarHBondContact O-N 3.05Å; Y1219-M1221 VanDerWaalsContact C-N 3.28Å; Y1219-M1221 PolarHBondContact O-N 3.34Å; M1221-K1223 PolarHBondContact O-N 2.96Å; M1221-K1223 VanDerWaalsContact O-N 3.09Å
1222D82.8Confident84.9Confident40 Ų4061 Ų6121%0.21432%0.316CS..  trans-72.8100.8179.8-173.3-8.8000111.7Q1218 T1224 L1225Q1218-D1222 WeakPolarHBondContact O-CB 3.41Å; Q1218-D1222 PolarHBondContact O-N 2.85Å; D1222-T1224 VanDerWaalsContact CG-OG1 3.27Å; D1222-T1224 PolarHBondContact O-N 3.02Å; D1222-T1224 WeakPolarHBondContact OD1-CA 3.29Å; D1222-T1224 VanDerWaalsContact OD1-CB 3.29Å; D1222-T1224 WeakPolarHBondContact OD1-CB 3.43Å; D1222-T1224 WeakPolarHBondContact OD1-CG2 3.4Å; D1222-T1224 PolarHBondContact OD1-N 3.05Å; D1222-T1224 PolarHBondContact OD1-OG1 3.21Å; D1222-T1224 PolarHBondContact OD2-OG1 2.77Å; D1222-L1225 HydrophobicContact CB-CD1 4.03Å; D1222-L1225 HydrophobicContact CB-CG 4.08Å; D1222-L1225 PolarHBondContact O-N 3Å
1223K79.3Confident85.2Confident134 Ų13462.1 Ų62.158%0.58332%0.319SS*.G310 helixtrans-65.5-19.3178.9-58.5-162.4174.4-145.10113.4D1060 M1221 L1225 T1226D1060-K1223 IonicContact OD2-NZ 3.89Å; D1060-K1223 PolarHBondContact OD2-NZ 2.82Å; M1221-K1223 PolarHBondContact O-N 2.96Å; M1221-K1223 VanDerWaalsContact O-N 3.09Å; K1223-L1225 PolarHBondContact O-N 2.91Å; K1223-T1226 PolarHBondContact O-N 2.87Å; K1223-T1226 VanDerWaalsContact O-N 3.13Å; K1223-T1226 PolarHBondContact O-OG1 2.84Å
1224T79.8Confident85.5Confident120 Ų12062.9 Ų62.974%0.73633%0.325SS*.G310 helixtrans-70.4-18.2176.974.20000112.9D1222 T1226D1222-T1224 VanDerWaalsContact CG-OG1 3.27Å; D1222-T1224 PolarHBondContact O-N 3.02Å; D1222-T1224 WeakPolarHBondContact OD1-CA 3.29Å; D1222-T1224 VanDerWaalsContact OD1-CB 3.29Å; D1222-T1224 WeakPolarHBondContact OD1-CB 3.43Å; D1222-T1224 WeakPolarHBondContact OD1-CG2 3.4Å; D1222-T1224 PolarHBondContact OD1-N 3.05Å; D1222-T1224 PolarHBondContact OD1-OG1 3.21Å; D1222-T1224 PolarHBondContact OD2-OG1 2.77Å; T1224-T1226 VanDerWaalsContact C-N 3.33Å
1225L81.2Confident85.9Confident58 Ų5861.6 Ų61.630%0.30431%0.313SS..G310 helixtrans-83.9-6.8173.2-56.2-179.3000113.3L1064 S1067 Y1219 D1222 K1223L1064-L1225 HydrophobicContact CD1-CB 3.62Å; L1064-L1225 HydrophobicContact CD1-CD1 4.21Å; S1067-L1225 WeakPolarHBondContact CB-O 3.47Å; Y1219-L1225 HydrophobicContact CD2-CD1 3.68Å; Y1219-L1225 HydrophobicContact CE2-CD1 3.58Å; D1222-L1225 HydrophobicContact CB-CD1 4.03Å; D1222-L1225 HydrophobicContact CB-CG 4.08Å; D1222-L1225 PolarHBondContact O-N 3Å; K1223-L1225 PolarHBondContact O-N 2.91Å
1226T85.9Confident86.3Confident50 Ų5055.7 Ų55.731%0.30729%0.288SS..  trans-94.7141.5-176.768.10000112.5L1064 K1223 T1224L1064-T1226 HydrophobicContact CB-CG2 4.28Å; L1064-T1226 HydrophobicContact CD1-CG2 4.39Å; K1223-T1226 PolarHBondContact O-N 2.87Å; K1223-T1226 VanDerWaalsContact O-N 3.13Å; K1223-T1226 PolarHBondContact O-OG1 2.84Å; T1224-T1226 VanDerWaalsContact C-N 3.33Å
1227M86.1Confident86.6Confident50 Ų5057.7 Ų57.725%0.24630%0.298CS..  trans-121.5148.7178.1-59.4174.363.700110S1067 T1231 L1232 L1235S1067-M1227 PolarHBondContact OG-N 3.27Å; M1227-T1231 HydrophobicContact CE-CG2 3.52Å; M1227-L1232 HydrophobicContact CB-CD1 4.47Å; M1227-L1232 HydrophobicContact CB-CD2 3.88Å; M1227-L1232 HydrophobicContact CB-CG 3.82Å; M1227-L1232 HydrophobicContact CE-CD2 4.43Å; M1227-L1232 HydrophobicContact SD-CD2 4.07Å; M1227-L1235 HydrophobicContact CE-CD2 3.82Å; M1227-L1235 HydrophobicContact SD-CD2 4.41Å
1228D87.2Confident86.8Confident85 Ų8564 Ų6446%0.45533%0.325SS..  trans-72.4160.217463.4-78.3000112.5D1230 T1231 L1232D1228-D1230 VanDerWaalsContact C-N 3.33Å; D1228-D1230 PolarHBondContact O-N 2.96Å; D1228-D1230 PolarHBondContact OD2-N 3.29Å; D1228-T1231 VanDerWaalsContact CG-OG1 3.22Å; D1228-T1231 PolarHBondContact O-N 3.4Å; D1228-T1231 WeakPolarHBondContact OD1-CB 3.35Å; D1228-T1231 PolarHBondContact OD1-OG1 2.95Å; D1228-T1231 WeakPolarHBondContact OD2-CB 3.33Å; D1228-T1231 PolarHBondContact OD2-N 3.46Å; D1228-T1231 PolarHBondContact OD2-OG1 2.81Å; D1228-L1232 WeakPolarHBondContact O-CB 3.47Å; D1228-L1232 VanDerWaalsContact O-CG 3.22Å; D1228-L1232 WeakPolarHBondContact O-CG 3.36Å; D1228-L1232 PolarHBondContact O-N 3.01Å
1229E85.3Confident87.1Confident115 Ų11563.9 Ų63.954%0.53733%0.326SS..Hα-helixtrans-65.6-33.1-173.7-62.6-14211400113.8R1110 Y1233R1110-E1229 IonicContact CZ-OE1 3.12Å; R1110-E1229 IonicContact NE-OE1 2.91Å; R1110-E1229 IonicContact NH1-OE1 2.78Å; R1110-E1229 PolarHBondContact NH1-OE1 2.94Å; E1229-Y1233 WeakPolarHBondContact O-CB 3.1Å; E1229-Y1233 PolarHBondContact O-N 2.91Å
1230D87.9Confident87.2Confident134 Ų13464.2 Ų64.272%0.71733%0.327SS*.Hα-helixtrans-68.8-51.6177.5-71.8-38.9000109.8D1228 L1232 Y1233 D1234D1228-D1230 VanDerWaalsContact C-N 3.33Å; D1228-D1230 PolarHBondContact O-N 2.96Å; D1228-D1230 PolarHBondContact OD2-N 3.29Å; D1230-L1232 VanDerWaalsContact C-N 3.3Å; D1230-L1232 PolarHBondContact O-N 3Å; D1230-Y1233 PolarHBondContact O-N 3.42Å; D1230-Y1233 VanDerWaalsContact O-N 3.09Å; D1230-D1234 WeakPolarHBondContact O-CB 3.47Å; D1230-D1234 PolarHBondContact O-N 2.98Å
1231T90.4Very high87.2Confident64 Ų6467.7 Ų67.739%0.39335%0.35SS..Hα-helixtrans-60.8-36.9176.3-55.10000112.2M1227 D1228 L1235M1227-T1231 HydrophobicContact CE-CG2 3.52Å; D1228-T1231 VanDerWaalsContact CG-OG1 3.22Å; D1228-T1231 PolarHBondContact O-N 3.4Å; D1228-T1231 WeakPolarHBondContact OD1-CB 3.35Å; D1228-T1231 PolarHBondContact OD1-OG1 2.95Å; D1228-T1231 WeakPolarHBondContact OD2-CB 3.33Å; D1228-T1231 PolarHBondContact OD2-N 3.46Å; D1228-T1231 PolarHBondContact OD2-OG1 2.81Å; T1231-L1235 WeakPolarHBondContact O-CB 3.23Å; T1231-L1235 PolarHBondContact O-N 2.66Å
1232L90.9Very high87.2Confident4 Ų472.9 Ų72.92%0.02137%0.366CS..Hα-helixtrans-61.1-46.4172-75.5169.3000111.8A1066 M1070 A1112 M1227 D1228 D1230 S1236A1066-L1232 HydrophobicContact CB-CD1 4.11Å; M1070-L1232 HydrophobicContact CB-CD2 3.83Å; M1070-L1232 HydrophobicContact CG-CD2 3.65Å; A1112-L1232 HydrophobicContact CB-CB 4.19Å; M1227-L1232 HydrophobicContact CB-CD1 4.47Å; M1227-L1232 HydrophobicContact CB-CD2 3.88Å; M1227-L1232 HydrophobicContact CB-CG 3.82Å; M1227-L1232 HydrophobicContact CE-CD2 4.43Å; M1227-L1232 HydrophobicContact SD-CD2 4.07Å; D1228-L1232 WeakPolarHBondContact O-CB 3.47Å; D1228-L1232 VanDerWaalsContact O-CG 3.22Å; D1228-L1232 WeakPolarHBondContact O-CG 3.36Å; D1228-L1232 PolarHBondContact O-N 3.01Å; D1230-L1232 VanDerWaalsContact C-N 3.3Å; D1230-L1232 PolarHBondContact O-N 3Å; L1232-S1236 PolarHBondContact O-N 2.98Å
1233Y90.9Very high86.7Confident67 Ų6778.1 Ų78.126%0.26339%0.394SS..Hα-helixtrans-66.5-43.1179.1-170.1-101.4000111.6E1229 D1230 S1236 L1237 R1242E1229-Y1233 WeakPolarHBondContact O-CB 3.1Å; E1229-Y1233 PolarHBondContact O-N 2.91Å; D1230-Y1233 PolarHBondContact O-N 3.42Å; D1230-Y1233 VanDerWaalsContact O-N 3.09Å; Y1233-S1236 WeakPolarHBondContact O-CA 3.36Å; Y1233-S1236 WeakPolarHBondContact O-CB 3.23Å; Y1233-S1236 PolarHBondContact O-N 3.38Å; Y1233-S1236 VanDerWaalsContact O-N 3.1Å; Y1233-S1236 PolarHBondContact O-OG 3.23Å; Y1233-L1237 HydrophobicContact CD1-CD1 3.96Å; Y1233-L1237 HydrophobicContact CD1-CG 4.34Å; Y1233-L1237 HydrophobicContact CE1-CD1 3.7Å; Y1233-L1237 HydrophobicContact CE1-CD2 4.36Å; Y1233-L1237 HydrophobicContact CE1-CG 4.07Å; Y1233-L1237 PolarHBondContact O-N 2.86Å; Y1233-R1242 PolarHBondContact OH-NH2 2.65Å
1234D91.3Very high85.7Confident77 Ų7777.7 Ų77.741%0.41240%0.404SS..Hα-helixtrans-66.5-40180-134.544.5000112D1230 S1236 L1237 K1238D1230-D1234 WeakPolarHBondContact O-CB 3.47Å; D1230-D1234 PolarHBondContact O-N 2.98Å; D1234-S1236 VanDerWaalsContact C-N 3.31Å; D1234-S1236 PolarHBondContact O-N 3.13Å; D1234-L1237 PolarHBondContact O-N 2.84Å; D1234-K1238 WeakPolarHBondContact O-CD 3.35Å; D1234-K1238 VanDerWaalsContact O-CG 3.31Å; D1234-K1238 WeakPolarHBondContact O-CG 3.5Å; D1234-K1238 PolarHBondContact O-N 3.38Å; D1234-K1238 WeakPolarHBondContact OD2-CE 3.46Å; D1234-K1238 IonicContact OD2-NZ 2.69Å; D1234-K1238 PolarHBondContact OD2-NZ 3.06Å
1235L90.7Very high83.8Confident47 Ų4780.4 Ų80.425%0.24644%0.439CS..Hα-helixtrans-64.6-36.2170.6-175.957000111.4M1070 M1227 T1231 L1237 K1238 I1239M1070-L1235 HydrophobicContact CB-CD2 4.23Å; M1070-L1235 HydrophobicContact CE-CB 4.14Å; M1070-L1235 HydrophobicContact CE-CD2 4.36Å; M1070-L1235 HydrophobicContact CE-CG 3.92Å; M1227-L1235 HydrophobicContact CE-CD2 3.82Å; M1227-L1235 HydrophobicContact SD-CD2 4.41Å; T1231-L1235 WeakPolarHBondContact O-CB 3.23Å; T1231-L1235 PolarHBondContact O-N 2.66Å; L1235-L1237 VanDerWaalsContact C-N 3.32Å; L1235-L1237 PolarHBondContact O-N 3.33Å; L1235-K1238 PolarHBondContact O-N 2.94Å; L1235-I1239 HydrophobicContact CD1-CD1 3.84Å; L1235-I1239 HydrophobicContact CD1-CG1 4.02Å; L1235-I1239 HydrophobicContact CD2-CD1 4.38Å; L1235-I1239 HydrophobicContact CG-CD1 3.78Å; L1235-I1239 HydrophobicContact CG-CG1 4.33Å; L1235-I1239 WeakPolarHBondContact O-CB 2.82Å; L1235-I1239 WeakPolarHBondContact O-CG1 3.21Å; L1235-I1239 PolarHBondContact O-N 3.24Å
1236S92.1Very high84Confident0 Ų081.5 Ų81.50%045%0.446CS..Hα-helixtrans-63.4-37.3173.8910000112.4M1070 A1112 R1115 L1232 Y1233 D1234 I1239 E1240M1070-S1236 VanDerWaalsContact CE-CA 3.5Å; A1112-S1236 VanDerWaalsContact O-CB 3.27Å; A1112-S1236 WeakPolarHBondContact O-CB 3.34Å; R1115-S1236 WeakPolarHBondContact CD-OG 3.45Å; R1115-S1236 PolarHBondContact NH1-O 3.25Å; R1115-S1236 PolarHBondContact NH1-OG 2.88Å; L1232-S1236 PolarHBondContact O-N 2.98Å; Y1233-S1236 WeakPolarHBondContact O-CA 3.36Å; Y1233-S1236 WeakPolarHBondContact O-CB 3.23Å; Y1233-S1236 PolarHBondContact O-N 3.38Å; Y1233-S1236 VanDerWaalsContact O-N 3.1Å; Y1233-S1236 PolarHBondContact O-OG 3.23Å; D1234-S1236 VanDerWaalsContact C-N 3.31Å; D1234-S1236 PolarHBondContact O-N 3.13Å; S1236-I1239 PolarHBondContact O-N 3.02Å; S1236-E1240 CarbonylContact O-C 3.55Å; S1236-E1240 PolarHBondContact O-N 3Å
1237L90.5Very high83.9Confident45 Ų4583.2 Ų83.224%0.23645%0.453CS..Hα-helixtrans-68.5-35.5176.1-69.3173.5000111.5Y1233 D1234 L1235 E1240 P1241 R1242Y1233-L1237 HydrophobicContact CD1-CD1 3.96Å; Y1233-L1237 HydrophobicContact CD1-CG 4.34Å; Y1233-L1237 HydrophobicContact CE1-CD1 3.7Å; Y1233-L1237 HydrophobicContact CE1-CD2 4.36Å; Y1233-L1237 HydrophobicContact CE1-CG 4.07Å; Y1233-L1237 PolarHBondContact O-N 2.86Å; D1234-L1237 PolarHBondContact O-N 2.84Å; L1235-L1237 VanDerWaalsContact C-N 3.32Å; L1235-L1237 PolarHBondContact O-N 3.33Å; L1237-E1240 CarbonylContact O-C 3.57Å; L1237-P1241 WeakPolarHBondContact O-CA 3.33Å; L1237-P1241 WeakPolarHBondContact O-CG 3.43Å; L1237-R1242 HydrophobicContact CD2-CG 3.98Å
1238K88.6Confident83.7Confident138 Ų13885 Ų8560%0.647%0.465SS*.Hα-helixtrans-69.5-39.9175-67.4157.2-165.8159.20111.9D1234 L1235D1234-K1238 WeakPolarHBondContact O-CD 3.35Å; D1234-K1238 VanDerWaalsContact O-CG 3.31Å; D1234-K1238 WeakPolarHBondContact O-CG 3.5Å; D1234-K1238 PolarHBondContact O-N 3.38Å; D1234-K1238 WeakPolarHBondContact OD2-CE 3.46Å; D1234-K1238 IonicContact OD2-NZ 2.69Å; D1234-K1238 PolarHBondContact OD2-NZ 3.06Å; L1235-K1238 PolarHBondContact O-N 2.94Å
1239I89.5Confident83.5Confident40 Ų4085 Ų8521%0.20547%0.465CS..Hα-helixtrans-79.5-45.1-177.4-71.9178.5000113M1070 R1078 L1235 S1236M1070-I1239 HydrophobicContact CE-CD1 3.98Å; R1078-I1239 VanDerWaalsContact NH1-CG2 3.3Å; R1078-I1239 VanDerWaalsContact NH2-CG2 3.27Å; L1235-I1239 HydrophobicContact CD1-CD1 3.84Å; L1235-I1239 HydrophobicContact CD1-CG1 4.02Å; L1235-I1239 HydrophobicContact CD2-CD1 4.38Å; L1235-I1239 HydrophobicContact CG-CD1 3.78Å; L1235-I1239 HydrophobicContact CG-CG1 4.33Å; L1235-I1239 WeakPolarHBondContact O-CB 2.82Å; L1235-I1239 WeakPolarHBondContact O-CG1 3.21Å; L1235-I1239 PolarHBondContact O-N 3.24Å; S1236-I1239 PolarHBondContact O-N 3.02Å
1240E89.4Confident83.4Confident10 Ų1083.1 Ų83.15%0.04746%0.461CS..SBendtrans-128.691.4171.1-72.7-173.5-14200108.9R1078 R1115 L1116 K1117 K1118 T1119 S1236 L1237R1078-E1240 IonicContact NH2-OE1 2.64Å; R1115-E1240 VanDerWaalsContact CZ-O 3.31Å; R1115-E1240 PolarHBondContact NH1-O 3.28Å; R1115-E1240 PolarHBondContact NH2-O 2.97Å; L1116-E1240 WeakPolarHBondContact CA-OE2 3.48Å; L1116-E1240 HydrophobicContact CD2-CB 3.86Å; L1116-E1240 HydrophobicContact CD2-CG 4.04Å; K1117-E1240 PolarHBondContact N-OE2 3.4Å; K1117-E1240 VanDerWaalsContact N-OE2 3.1Å; K1118-E1240 WeakPolarHBondContact CB-OE2 3.34Å; K1118-E1240 HydrophobicContact CD-CG 4.33Å; K1118-E1240 WeakPolarHBondContact CG-OE2 3.41Å; K1118-E1240 PolarHBondContact N-OE2 3.24Å; T1119-E1240 WeakPolarHBondContact CB-OE1 3.25Å; T1119-E1240 PolarHBondContact N-OE1 3.41Å; T1119-E1240 PolarHBondContact OG1-OE1 2.99Å; S1236-E1240 CarbonylContact O-C 3.55Å; S1236-E1240 PolarHBondContact O-N 3Å; L1237-E1240 CarbonylContact O-C 3.57Å
1241P86.8Confident83.1Confident82 Ų8279.7 Ų79.753%0.53244%0.444SS..PPolyproline II helixtrans-54.6155.2175.4-28.735.8000113L1237L1237-P1241 WeakPolarHBondContact O-CA 3.33Å; L1237-P1241 WeakPolarHBondContact O-CG 3.43Å
1242R83.7Confident82.6Confident170 Ų17080.9 Ų80.964%0.64245%0.447SS*.PPolyproline II helixtrans-60.5140.2166.7-63.2-178.3-177.2-176.90.9108.2Y1233 L1237Y1233-R1242 PolarHBondContact OH-NH2 2.65Å; L1237-R1242 HydrophobicContact CD2-CG 3.98Å
1243L73.9Confident81.9Confident151 Ų15186.8 Ų86.879%0.79148%0.48SS*.PPolyproline II helixtrans-61.3145.4168.1-64.7172.1000108.4
1244P58Low81.2Confident124 Ų12488.4 Ų88.481%0.80550%0.498SS*.PPolyproline II helixtrans-52.1144.1163.1-2334.3000110
1245A39.9Very low80.3Confident177 Ų17789.5 Ų89.5100%1.46351%0.506SS*.  trans-71.70179.900000111.8

Retrieved 1,245 of 1,245 residues in 2188.7 ms (Link to these results)

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