A0A077YVC4_TRITR Loading...

Moesin

AlphaFold DB , UniProt , Accession A0A077YVC4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 397 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
1M34.1Very low54.3Low239 Ų239118.9 Ų118.9100%1.17764%0.643SS**  0101.50-79.5-174.515300108.3T3M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.12Å
2S37.2Very low57.1Low116 Ų116116.5 Ų116.581%0.81162%0.619SS**  trans-66.3101.4167.3163.70000106.8D4S2-D4 VanDerWaalsContact C-N 3.31Å; S2-D4 PolarHBondContact O-N 3.38Å
3T44.2Very low59.6Low118 Ų118107.5 Ų107.572%0.72457%0.571SS**  trans-65.5103.5164.9480000105.9M1 K5M1-T3 PolarHBondContact O-N 3.24Å; M1-T3 VanDerWaalsContact O-N 3.12Å; T3-K5 PolarHBondContact O-N 3.47Å; T3-K5 VanDerWaalsContact O-N 3.11Å
4D43.5Very low61.9Low121 Ų121101.5 Ų101.565%0.64754%0.539SS*.  trans-44.9116.8176.8-146.1-28.4000108.8S2 S6S2-D4 VanDerWaalsContact C-N 3.31Å; S2-D4 PolarHBondContact O-N 3.38Å; D4-S6 PolarHBondContact O-N 3.29Å; D4-S6 VanDerWaalsContact O-N 3.14Å; D4-S6 WeakPolarHBondContact OD1-CB 3.43Å; D4-S6 PolarHBondContact OD1-N 3.17Å; D4-S6 PolarHBondContact OD1-OG 3.06Å; D4-S6 PolarHBondContact OD2-OG 3.42Å
5K50.1Low63.9Low183 Ų18394.8 Ų94.880%0.79650%0.503SS*.SBendtrans-68.2-1.9174.1-87.2-169.7172.5-167.30111.3T3T3-K5 PolarHBondContact O-N 3.47Å; T3-K5 VanDerWaalsContact O-N 3.11Å
6S49Very low65.6Low64 Ų6491.3 Ų91.345%0.44848%0.483SS..THydrogen-bonded Turntrans-83.7131.5177.764.10000111.5D4D4-S6 PolarHBondContact O-N 3.29Å; D4-S6 VanDerWaalsContact O-N 3.14Å; D4-S6 WeakPolarHBondContact OD1-CB 3.43Å; D4-S6 PolarHBondContact OD1-N 3.17Å; D4-S6 PolarHBondContact OD1-OG 3.06Å; D4-S6 PolarHBondContact OD2-OG 3.42Å
7T54.7Low67Low137 Ų13786.1 Ų86.184%0.8446%0.455SS*.THydrogen-bonded Turntrans94.623.417268.10000121.1
8I55.1Low68Low84 Ų8483.9 Ų83.943%0.43145%0.446SS..  trans-115.984.6153.7-53.3-177.5000109.8Y10 M72I8-Y10 WeakPolarHBondContact CG2-O 3.46Å; I8-Y10 PolarHBondContact O-N 3.16Å; I8-M72 HydrophobicContact CB-CE 4.31Å; I8-M72 HydrophobicContact CG2-CE 3.82Å; I8-M72 WeakPolarHBondContact O-CE 3.35Å
9T68.9Low68.6Low99 Ų9985.7 Ų85.761%0.60746%0.456SS*.  trans-69.1-18.2178.4-33.70000113.1
10Y76.6Confident69.4Low138 Ų13883.7 Ų83.754%0.54145%0.445SS..  trans-153.8149.5177.865.8-88.3000112.2I8 V25 V26I8-Y10 WeakPolarHBondContact CG2-O 3.46Å; I8-Y10 PolarHBondContact O-N 3.16Å; Y10-V25 HydrophobicContact CD2-CG1 4.34Å; Y10-V25 HydrophobicContact CG-CG1 4.43Å; Y10-V26 CarbonylContact C-O 3.22Å; Y10-V26 VanDerWaalsContact CA-O 3.29Å; Y10-V26 WeakPolarHBondContact CA-O 3.36Å
11L83.6Confident70.2Confident9 Ų987.2 Ų87.25%0.04745%0.452CS..EExtended strand (participates in β ladder)trans-119.1136.5172.3175.671.8000109.8V13 V26 M72 F75 K80 A82L11-V13 HydrophobicContact CD2-CG2 3.69Å; L11-V13 HydrophobicContact CG-CG2 3.88Å; L11-V26 HydrophobicContact CB-CB 4.33Å; L11-V26 PolarHBondContact N-O 3.44Å; L11-V26 WeakPolarHBondContact O-CB 3.18Å; L11-V26 PolarHBondContact O-N 2.81Å; L11-M72 HydrophobicContact CB-CE 4.2Å; L11-M72 HydrophobicContact CB-SD 3.31Å; L11-M72 WeakPolarHBondContact CB-SD 3.5Å; L11-M72 HydrophobicContact CD2-SD 4.06Å; L11-M72 HydrophobicContact CG-SD 4.31Å; L11-F75 HydrophobicContact CD2-CB 3.73Å; L11-F75 HydrophobicContact CD2-CD2 3.75Å; L11-F75 HydrophobicContact CD2-CG 4.12Å; L11-K80 WeakPolarHBondContact CD1-O 3.49Å; L11-A82 HydrophobicContact CD1-CB 4.22Å; L11-A82 HydrophobicContact CD2-CB 4.11Å; L11-A82 HydrophobicContact CG-CB 4.38Å
12Y88.1Confident72.8Confident90 Ų9076.4 Ų76.435%0.35340%0.399SS..EExtended strand (participates in β ladder)trans-92.4115.1173.1-169.7-99.2000110I14 P23 V25 K80 V81 A82Y12-I14 HydrophobicContact CD1-CG1 3.99Å; Y12-I14 HydrophobicContact CE1-CD1 4.1Å; Y12-I14 HydrophobicContact CE1-CG1 3.68Å; Y12-P23 HydrophobicContact CE1-CB 3.81Å; Y12-P23 HydrophobicContact CE2-CB 3.67Å; Y12-P23 WeakPolarHBondContact OH-CB 3.36Å; Y12-V25 HydrophobicContact CD2-CG2 4.28Å; Y12-K80 PolarHBondContact N-O 3.37Å; Y12-K80 VanDerWaalsContact N-O 3.1Å; Y12-V81 HydrophobicContact CD1-CG1 4.02Å; Y12-V81 HydrophobicContact CD1-CG2 4.09Å; Y12-V81 CarbonylContact O-C 3.56Å; Y12-V81 VanDerWaalsContact O-CA 3.28Å; Y12-V81 WeakPolarHBondContact O-CA 3.48Å; Y12-A82 PolarHBondContact O-N 3.38Å
13V89.9Confident75.4Confident0 Ų073.4 Ų73.40%038%0.376CS..EExtended strand (participates in β ladder)trans-110.4120.2-179.7-174.90000110L11 V15 V24 V26 L35 V71 F75 A82 A84L11-V13 HydrophobicContact CD2-CG2 3.69Å; L11-V13 HydrophobicContact CG-CG2 3.88Å; V13-V15 HydrophobicContact CG1-CG2 4.09Å; V13-V24 PolarHBondContact N-O 3.48Å; V13-V24 PolarHBondContact O-N 2.91Å; V13-V26 HydrophobicContact CB-CG2 4.03Å; V13-V26 HydrophobicContact CG2-CB 4.17Å; V13-V26 HydrophobicContact CG2-CG2 3.48Å; V13-V26 VanDerWaalsContact CG2-CG2 3.48Å; V13-L35 HydrophobicContact CG1-CD2 4.05Å; V13-V71 HydrophobicContact CG2-CG1 3.94Å; V13-F75 HydrophobicContact CG1-CE2 4.45Å; V13-A82 WeakPolarHBondContact CA-O 3.49Å; V13-A82 HydrophobicContact CG2-CB 4.25Å; V13-A84 HydrophobicContact CG1-CB 3.96Å
14I91.4Very high77.6Confident23 Ų2367.8 Ų67.812%0.11834%0.342CS..EExtended strand (participates in β ladder)trans-89.1107.8171-55.4179000108Y12 R21 V81 A82 A84Y12-I14 HydrophobicContact CD1-CG1 3.99Å; Y12-I14 HydrophobicContact CE1-CD1 4.1Å; Y12-I14 HydrophobicContact CE1-CG1 3.68Å; I14-R21 HydrophobicContact CG2-CB 3.88Å; I14-R21 HydrophobicContact CG2-CG 4.42Å; I14-V81 HydrophobicContact CD1-CG1 3.94Å; I14-V81 HydrophobicContact CG1-CG1 4.17Å; I14-A82 PolarHBondContact N-O 2.95Å; I14-A84 PolarHBondContact O-N 2.69Å
15V92.2Very high79.7Confident1 Ų165.2 Ų65.21%0.00633%0.331CS..EExtended strand (participates in β ladder)trans-89.4115.7176.1-172.30000109.7V13 V17 I22 V24 L35 V39 L53 A84 L86V13-V15 HydrophobicContact CG1-CG2 4.09Å; V15-V17 HydrophobicContact CG1-CG2 4.27Å; V15-I22 PolarHBondContact N-O 3.04Å; V15-I22 PolarHBondContact O-N 3.35Å; V15-V24 HydrophobicContact CG2-CG2 4.46Å; V15-L35 HydrophobicContact CG2-CD1 3.81Å; V15-L35 HydrophobicContact CG2-CD2 3.99Å; V15-L35 HydrophobicContact CG2-CG 3.99Å; V15-V39 HydrophobicContact CB-CG2 3.86Å; V15-V39 HydrophobicContact CG1-CG2 3.97Å; V15-V39 HydrophobicContact CG2-CG2 3.86Å; V15-L53 HydrophobicContact CG1-CD1 4.33Å; V15-A84 CarbonylContact C-O 3.56Å; V15-A84 WeakPolarHBondContact CA-O 3.34Å; V15-L86 HydrophobicContact CG1-CB 3.98Å
16H91.9Very high81.6Confident39 Ų3956.5 Ų56.518%0.18129%0.293CS..EExtended strand (participates in β ladder)trans-84.2121.8174.5-74.2-113.3000109.8L20 R21 T83 A84 Y85 L86H16-L20 CarbonylContact C-O 3.58Å; H16-L20 WeakPolarHBondContact CA-O 3.38Å; H16-R21 PolarHBondContact CE1-NE 3.43Å; H16-R21 VanDerWaalsContact CE1-NE 3.33Å; H16-R21 PolarHBondContact NE2-NE 3.48Å; H16-T83 VanDerWaalsContact CD2-CG2 3.46Å; H16-T83 WeakPolarHBondContact CD2-CG2 3.21Å; H16-A84 PolarHBondContact N-O 2.98Å; H16-Y85 HydrophobicContact CB-CD1 3.53Å; H16-Y85 HydrophobicContact CB-CE1 3.94Å; H16-Y85 HydrophobicContact CB-CG 4.3Å; H16-Y85 AromaticContact CG-CE1 3.98Å; H16-Y85 CarbonylContact O-C 3.48Å; H16-Y85 WeakPolarHBondContact O-CA 3.45Å; H16-L86 PolarHBondContact O-N 3.38Å
17V89Confident83.3Confident2 Ų258.5 Ų58.51%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-122105.2173.4-168.90000107.1V15 N19 L20 I22 V39 L43 L86 L106V15-V17 HydrophobicContact CG1-CG2 4.27Å; V17-N19 PolarHBondContact O-N 3.1Å; V17-L20 PolarHBondContact N-O 3.45Å; V17-L20 WeakPolarHBondContact O-CA 3.38Å; V17-L20 WeakPolarHBondContact O-CB 3.37Å; V17-L20 PolarHBondContact O-N 3.19Å; V17-I22 HydrophobicContact CG2-CD1 3.72Å; V17-V39 HydrophobicContact CG2-CG1 3.86Å; V17-L43 HydrophobicContact CB-CD1 3.71Å; V17-L43 HydrophobicContact CG1-CD1 3.65Å; V17-L43 HydrophobicContact CG2-CD1 3.63Å; V17-L86 HydrophobicContact CG1-CD2 4.24Å; V17-L86 HydrophobicContact CG2-CB 3.91Å; V17-L86 HydrophobicContact CG2-CD2 4Å; V17-L106 HydrophobicContact CG1-CD1 4.38Å; V17-L106 HydrophobicContact CG1-CD2 3.52Å
18T84.6Confident84.6Confident48 Ų4857.4 Ų57.429%0.29428%0.28SS..THydrogen-bonded Turntrans50.4-100.6-170.362.40000112.5L106 H109T18-L106 HydrophobicContact CG2-CD2 3.66Å; T18-H109 HydrophobicContact CG2-CB 3.64Å
19N79Confident85.9Confident117 Ų11760.8 Ų60.863%0.62630%0.299SS*.THydrogen-bonded Turntrans-106.2-2.4178.360.6-31.9000113.7V17V17-N19 PolarHBondContact O-N 3.1Å
20L85Confident87Confident45 Ų4557.2 Ų57.224%0.23628%0.276CS..EExtended strand (participates in β ladder)trans-92.3146.1178.6-56.1171.3000110.7H16 V17 L43 R350H16-L20 CarbonylContact C-O 3.58Å; H16-L20 WeakPolarHBondContact CA-O 3.38Å; V17-L20 PolarHBondContact N-O 3.45Å; V17-L20 WeakPolarHBondContact O-CA 3.38Å; V17-L20 WeakPolarHBondContact O-CB 3.37Å; V17-L20 PolarHBondContact O-N 3.19Å; L20-L43 HydrophobicContact CD1-CD1 4.31Å; L20-L43 HydrophobicContact CD1-CD2 3.41Å; L20-L43 VanDerWaalsContact CD1-CD2 3.41Å; L20-L43 HydrophobicContact CD1-CG 4.5Å; L20-R350 VanDerWaalsContact CD1-NH2 3.31Å
21R87.4Confident87.8Confident159 Ų15951.6 Ų51.660%0.626%0.257SS*.EExtended strand (participates in β ladder)trans-121.6118.2175.1-62.1179.672.9-167.30.2108.1I14 H16I14-R21 HydrophobicContact CG2-CB 3.88Å; I14-R21 HydrophobicContact CG2-CG 4.42Å; H16-R21 PolarHBondContact CE1-NE 3.43Å; H16-R21 VanDerWaalsContact CE1-NE 3.33Å; H16-R21 PolarHBondContact NE2-NE 3.48Å
22I88.7Confident88.3Confident12 Ų1251.1 Ų51.16%0.06225%0.254CS..EExtended strand (participates in β ladder)trans-116.4109.1-174.4-58.2164.3000108.1V15 V17 V24 V39 L43V15-I22 PolarHBondContact N-O 3.04Å; V15-I22 PolarHBondContact O-N 3.35Å; V17-I22 HydrophobicContact CG2-CD1 3.72Å; I22-V24 HydrophobicContact CG2-CG2 4.11Å; I22-V39 HydrophobicContact CD1-CG1 3.63Å; I22-V39 HydrophobicContact CG2-CG2 4.4Å; I22-L43 HydrophobicContact CD1-CD1 3.46Å; I22-L43 VanDerWaalsContact CD1-CD1 3.46Å; I22-L43 HydrophobicContact CD1-CD2 3.6Å; I22-L43 HydrophobicContact CD1-CG 3.31Å; I22-L43 HydrophobicContact CG1-CD2 4.25Å; I22-L43 HydrophobicContact CG1-CG 4.43Å
23P89.9Confident88.5Confident52 Ų5251.1 Ų51.134%0.33826%0.257SS..EExtended strand (participates in β ladder)trans-77.7125.3177.528.8-31.9000111.4Y12 R42Y12-P23 HydrophobicContact CE1-CB 3.81Å; Y12-P23 HydrophobicContact CE2-CB 3.67Å; Y12-P23 WeakPolarHBondContact OH-CB 3.36Å; P23-R42 PolarHBondContact O-NH1 3.41Å
24V90.3Very high88.6Confident1 Ų153 Ų531%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-124.2132.3177.2-177.30000109V13 V15 I22 V26 L35 I38 V39V13-V24 PolarHBondContact N-O 3.48Å; V13-V24 PolarHBondContact O-N 2.91Å; V15-V24 HydrophobicContact CG2-CG2 4.46Å; I22-V24 HydrophobicContact CG2-CG2 4.11Å; V24-V26 HydrophobicContact CG1-CG2 4.35Å; V24-L35 HydrophobicContact CB-CD1 3.65Å; V24-L35 HydrophobicContact CG1-CD1 3.58Å; V24-L35 HydrophobicContact CG2-CD1 3.88Å; V24-I38 HydrophobicContact CG1-CB 4.45Å; V24-I38 HydrophobicContact CG1-CD1 4.02Å; V24-I38 HydrophobicContact CG1-CG2 3.9Å; V24-I38 HydrophobicContact CG2-CG2 4.04Å; V24-V39 HydrophobicContact CG2-CG2 4.14Å
25V89.3Confident88.6Confident67 Ų6752 Ų5241%0.40626%0.262SS..EExtended strand (participates in β ladder)trans-82.7126.8168.3-177.10000107.4Y10 Y12Y10-V25 HydrophobicContact CD2-CG1 4.34Å; Y10-V25 HydrophobicContact CG-CG1 4.43Å; Y12-V25 HydrophobicContact CD2-CG2 4.28Å
26V88.7Confident88.6Confident0 Ų052.9 Ų52.90%027%0.267CS..EExtended strand (participates in β ladder)trans-112131.5-176.3173.70000109Y10 L11 V13 V24 M30 L35 V71 M72Y10-V26 CarbonylContact C-O 3.22Å; Y10-V26 VanDerWaalsContact CA-O 3.29Å; Y10-V26 WeakPolarHBondContact CA-O 3.36Å; L11-V26 HydrophobicContact CB-CB 4.33Å; L11-V26 PolarHBondContact N-O 3.44Å; L11-V26 WeakPolarHBondContact O-CB 3.18Å; L11-V26 PolarHBondContact O-N 2.81Å; V13-V26 HydrophobicContact CB-CG2 4.03Å; V13-V26 HydrophobicContact CG2-CB 4.17Å; V13-V26 HydrophobicContact CG2-CG2 3.48Å; V13-V26 VanDerWaalsContact CG2-CG2 3.48Å; V24-V26 HydrophobicContact CG1-CG2 4.35Å; V26-M30 HydrophobicContact CB-SD 4.48Å; V26-M30 HydrophobicContact CG1-CB 3.98Å; V26-M30 HydrophobicContact CG1-SD 4.39Å; V26-M30 HydrophobicContact CG2-CE 4.26Å; V26-L35 HydrophobicContact CG2-CD1 4.2Å; V26-V71 HydrophobicContact CB-CG1 4.44Å; V26-V71 HydrophobicContact CG1-CB 3.69Å; V26-V71 HydrophobicContact CG1-CG1 3.74Å; V26-V71 HydrophobicContact CG2-CG1 4.08Å; V26-M72 HydrophobicContact CG1-CG 4.35Å; V26-M72 HydrophobicContact CG1-SD 4.24Å
27H85.7Confident88.4Confident105 Ų10555.2 Ų55.249%0.48627%0.274SS..  trans-102.7167.1176.4-58.5-74.3000110.8D29 M30H27-D29 VanDerWaalsContact C-N 3.31Å; H27-D29 PolarHBondContact O-N 3.08Å; H27-M30 HydrophobicContact CB-CG 4.31Å; H27-M30 HydrophobicContact CB-SD 4.18Å; H27-M30 PolarHBondContact N-SD 2.85Å; H27-M30 WeakPolarHBondContact O-CB 3.48Å; H27-M30 PolarHBondContact O-N 2.96Å; H27-M30 VanDerWaalsContact O-N 3.12Å
28E80.7Confident88.5Confident114 Ų11457.3 Ų57.353%0.53329%0.285SS..THydrogen-bonded Turntrans-54.9-39.5-170.7-67-178.4-174.300114.5M30E28-M30 VanDerWaalsContact C-N 3.33Å; E28-M30 PolarHBondContact O-N 3.36Å
29D83.6Confident88.7Confident156 Ų15655 Ų5583%0.83427%0.271SS*.THydrogen-bonded Turntrans-86.71.7-176-57.6-42.9000114.4H27 S31H27-D29 VanDerWaalsContact C-N 3.31Å; H27-D29 PolarHBondContact O-N 3.08Å; D29-S31 PolarHBondContact O-N 3.32Å
30M92Very high89Confident24 Ų2450.3 Ų50.312%0.11825%0.245CC..  trans-79.4121.8-173.3-72.7-177.955.700112.3V26 H27 E28 I38 V71V26-M30 HydrophobicContact CB-SD 4.48Å; V26-M30 HydrophobicContact CG1-CB 3.98Å; V26-M30 HydrophobicContact CG1-SD 4.39Å; V26-M30 HydrophobicContact CG2-CE 4.26Å; H27-M30 HydrophobicContact CB-CG 4.31Å; H27-M30 HydrophobicContact CB-SD 4.18Å; H27-M30 PolarHBondContact N-SD 2.85Å; H27-M30 WeakPolarHBondContact O-CB 3.48Å; H27-M30 PolarHBondContact O-N 2.96Å; H27-M30 VanDerWaalsContact O-N 3.12Å; E28-M30 VanDerWaalsContact C-N 3.33Å; E28-M30 PolarHBondContact O-N 3.36Å; M30-I38 HydrophobicContact CE-CD1 3.28Å; M30-I38 HydrophobicContact SD-CD1 4.46Å; M30-V71 PolarHBondContact O-N 3.48Å
31S94Very high89Confident19 Ų1957.9 Ų57.913%0.13327%0.27CS..BIsolated β-bridgetrans-81164.6171.470.50000112.3D29 Q33 D34 L35 Q69 V71D29-S31 PolarHBondContact O-N 3.32Å; S31-Q33 PolarHBondContact O-N 3.28Å; S31-Q33 PolarHBondContact OG-N 3.5Å; S31-D34 WeakPolarHBondContact CB-OD2 3.2Å; S31-D34 PolarHBondContact N-OD2 2.93Å; S31-D34 WeakPolarHBondContact O-CB 3.31Å; S31-D34 PolarHBondContact O-N 3.01Å; S31-D34 VanDerWaalsContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 2.87Å; S31-D34 PolarHBondContact OG-OD2 3.19Å; S31-L35 PolarHBondContact O-N 2.86Å; S31-L35 VanDerWaalsContact O-N 3.11Å; S31-Q69 CarbonylContact C-O 3.55Å; S31-Q69 WeakPolarHBondContact CA-O 3.36Å; S31-V71 WeakPolarHBondContact O-CG2 3.43Å
32C93Very high88.8Confident0 Ų056.9 Ų56.90%027%0.266CS..Hα-helixtrans-57.8-35.7171.7-68.30000111.9D34 L35 I36 L53 M67 Q69 L74C32-D34 VanDerWaalsContact C-N 3.33Å; C32-D34 PolarHBondContact O-N 2.93Å; C32-L35 PolarHBondContact O-N 3.48Å; C32-I36 VanDerWaalsContact O-CG1 3.3Å; C32-I36 WeakPolarHBondContact O-CG1 3.05Å; C32-I36 PolarHBondContact O-N 2.88Å; C32-L53 HydrophobicContact CB-CD2 4.18Å; C32-M67 PolarHBondContact N-O 3.25Å; C32-Q69 PolarHBondContact N-O 3.21Å; C32-Q69 PolarHBondContact SG-O 3.43Å; C32-Q69 VanDerWaalsContact SG-O 3.34Å; C32-L74 WeakPolarHBondContact SG-CD1 3.28Å
33Q91.6Very high88.1Confident89 Ų8958.4 Ų58.442%0.41628%0.275SS..Hα-helixtrans-63.1-38.3175.4-160.9-177.936.700112.2S31 I36 R37 M67S31-Q33 PolarHBondContact O-N 3.28Å; S31-Q33 PolarHBondContact OG-N 3.5Å; Q33-I36 PolarHBondContact O-N 3.21Å; Q33-R37 WeakPolarHBondContact O-CB 3.17Å; Q33-R37 PolarHBondContact O-N 2.92Å; Q33-M67 HydrophobicContact CB-CB 4.41Å; Q33-M67 WeakPolarHBondContact CB-O 3.3Å; Q33-M67 PolarHBondContact N-O 3.09Å
34D92.3Very high87Confident41 Ų4159.2 Ų59.222%0.21928%0.279CS..Hα-helixtrans-67.4-41.6176.7-57.9-46.1000111.5S31 C32 I36 R37 I38S31-D34 WeakPolarHBondContact CB-OD2 3.2Å; S31-D34 PolarHBondContact N-OD2 2.93Å; S31-D34 WeakPolarHBondContact O-CB 3.31Å; S31-D34 PolarHBondContact O-N 3.01Å; S31-D34 VanDerWaalsContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 2.87Å; S31-D34 PolarHBondContact OG-OD2 3.19Å; C32-D34 VanDerWaalsContact C-N 3.33Å; C32-D34 PolarHBondContact O-N 2.93Å; D34-I36 PolarHBondContact O-N 3.12Å; D34-R37 WeakPolarHBondContact O-CB 3.24Å; D34-R37 PolarHBondContact O-N 3.35Å; D34-R37 VanDerWaalsContact O-N 3.12Å; D34-R37 IonicContact OD1-CZ 3.74Å; D34-R37 IonicContact OD1-NH1 3.69Å; D34-R37 PolarHBondContact OD1-NH1 2.8Å; D34-R37 IonicContact OD1-NH2 3.5Å; D34-R37 PolarHBondContact OD1-NH2 2.79Å; D34-I38 WeakPolarHBondContact O-CG1 3.43Å; D34-I38 PolarHBondContact O-N 3.5Å
35L92.3Very high86Confident0 Ų066.6 Ų66.60%031%0.307CS..Hα-helixtrans-59.7-46.2175179.859.3000111.6V13 V15 V24 V26 S31 C32 R37 I38 V39 L53 V71V13-L35 HydrophobicContact CG1-CD2 4.05Å; V15-L35 HydrophobicContact CG2-CD1 3.81Å; V15-L35 HydrophobicContact CG2-CD2 3.99Å; V15-L35 HydrophobicContact CG2-CG 3.99Å; V24-L35 HydrophobicContact CB-CD1 3.65Å; V24-L35 HydrophobicContact CG1-CD1 3.58Å; V24-L35 HydrophobicContact CG2-CD1 3.88Å; V26-L35 HydrophobicContact CG2-CD1 4.2Å; S31-L35 PolarHBondContact O-N 2.86Å; S31-L35 VanDerWaalsContact O-N 3.11Å; C32-L35 PolarHBondContact O-N 3.48Å; L35-R37 VanDerWaalsContact C-N 3.28Å; L35-R37 PolarHBondContact O-N 2.97Å; L35-I38 PolarHBondContact O-N 2.88Å; L35-V39 WeakPolarHBondContact O-CG2 3.04Å; L35-V39 PolarHBondContact O-N 3.09Å; L35-L53 HydrophobicContact CD2-CD1 4.41Å; L35-L53 HydrophobicContact CD2-CD2 3.82Å; L35-V71 HydrophobicContact CB-CG2 4.12Å; L35-V71 HydrophobicContact CD2-CG1 4.12Å; L35-V71 HydrophobicContact CD2-CG2 4.12Å
36I90.9Very high85.3Confident21 Ų2163.6 Ų63.611%0.10829%0.289CS..Hα-helixtrans-59.8-41174.6-65.5172.5000110.5C32 Q33 D34 I38 V39 K40 F46 L53 M67 L86C32-I36 VanDerWaalsContact O-CG1 3.3Å; C32-I36 WeakPolarHBondContact O-CG1 3.05Å; C32-I36 PolarHBondContact O-N 2.88Å; Q33-I36 PolarHBondContact O-N 3.21Å; D34-I36 PolarHBondContact O-N 3.12Å; I36-I38 PolarHBondContact O-N 3.47Å; I36-V39 PolarHBondContact O-N 2.97Å; I36-K40 WeakPolarHBondContact O-CB 3.19Å; I36-K40 PolarHBondContact O-N 3.13Å; I36-F46 HydrophobicContact CG2-CE2 4.26Å; I36-F46 HydrophobicContact CG2-CZ 4.13Å; I36-L53 HydrophobicContact CD1-CB 4.37Å; I36-M67 HydrophobicContact CD1-SD 3.71Å; I36-L86 HydrophobicContact CB-CD1 4.43Å; I36-L86 HydrophobicContact CD1-CD1 4.19Å; I36-L86 HydrophobicContact CG1-CD1 3.78Å; I36-L86 HydrophobicContact CG2-CD1 4.03Å
37R89.2Confident84.5Confident88 Ų8868.2 Ų68.233%0.33231%0.306SS..Hα-helixtrans-62.9-40.6179-162.4-177-55.9116.26.4112.1Q33 D34 L35 K40 R41Q33-R37 WeakPolarHBondContact O-CB 3.17Å; Q33-R37 PolarHBondContact O-N 2.92Å; D34-R37 WeakPolarHBondContact O-CB 3.24Å; D34-R37 PolarHBondContact O-N 3.35Å; D34-R37 VanDerWaalsContact O-N 3.12Å; D34-R37 IonicContact OD1-CZ 3.74Å; D34-R37 IonicContact OD1-NH1 3.69Å; D34-R37 PolarHBondContact OD1-NH1 2.8Å; D34-R37 IonicContact OD1-NH2 3.5Å; D34-R37 PolarHBondContact OD1-NH2 2.79Å; L35-R37 VanDerWaalsContact C-N 3.28Å; L35-R37 PolarHBondContact O-N 2.97Å; R37-K40 PolarHBondContact O-N 2.98Å; R37-R41 WeakPolarHBondContact O-CG 3.18Å; R37-R41 PolarHBondContact O-N 3.26Å; R37-R41 VanDerWaalsContact O-N 3.11Å
38I89.6Confident83.8Confident46 Ų4669.8 Ų69.824%0.23631%0.308CS..Hα-helixtrans-64.9-46.3175.4-68.2167000110.7V24 M30 D34 L35 I36 K40 R41 R42V24-I38 HydrophobicContact CG1-CB 4.45Å; V24-I38 HydrophobicContact CG1-CD1 4.02Å; V24-I38 HydrophobicContact CG1-CG2 3.9Å; V24-I38 HydrophobicContact CG2-CG2 4.04Å; M30-I38 HydrophobicContact CE-CD1 3.28Å; M30-I38 HydrophobicContact SD-CD1 4.46Å; D34-I38 WeakPolarHBondContact O-CG1 3.43Å; D34-I38 PolarHBondContact O-N 3.5Å; L35-I38 PolarHBondContact O-N 2.88Å; I36-I38 PolarHBondContact O-N 3.47Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.2Å; I38-R41 PolarHBondContact O-N 3.39Å; I38-R42 WeakPolarHBondContact O-CG 3.24Å; I38-R42 PolarHBondContact O-N 2.84Å
39V88.8Confident83.6Confident0 Ų065.3 Ų65.30%029%0.292CS..Hα-helixtrans-60.4-43.1177.8168.50000111.2V15 V17 I22 V24 L35 I36 R41 R42 L43 L86V15-V39 HydrophobicContact CB-CG2 3.86Å; V15-V39 HydrophobicContact CG1-CG2 3.97Å; V15-V39 HydrophobicContact CG2-CG2 3.86Å; V17-V39 HydrophobicContact CG2-CG1 3.86Å; I22-V39 HydrophobicContact CD1-CG1 3.63Å; I22-V39 HydrophobicContact CG2-CG2 4.4Å; V24-V39 HydrophobicContact CG2-CG2 4.14Å; L35-V39 WeakPolarHBondContact O-CG2 3.04Å; L35-V39 PolarHBondContact O-N 3.09Å; I36-V39 PolarHBondContact O-N 2.97Å; V39-R41 VanDerWaalsContact C-N 3.35Å; V39-R41 PolarHBondContact O-N 3.17Å; V39-R42 PolarHBondContact O-N 3.08Å; V39-R42 VanDerWaalsContact O-N 3.08Å; V39-L43 HydrophobicContact CG1-CD1 4.19Å; V39-L43 PolarHBondContact O-N 3.24Å; V39-L43 VanDerWaalsContact O-N 3.1Å; V39-L86 HydrophobicContact CG1-CD2 3.82Å
40K85.3Confident83.7Confident18 Ų1858.1 Ų58.18%0.07825%0.254CS..Hα-helixtrans-57.4-44.1174.7-176.9172.81661640112.7I36 R37 I38 R42 Y45 F46 R48I36-K40 WeakPolarHBondContact O-CB 3.19Å; I36-K40 PolarHBondContact O-N 3.13Å; R37-K40 PolarHBondContact O-N 2.98Å; I38-K40 VanDerWaalsContact C-N 3.32Å; I38-K40 PolarHBondContact O-N 3.2Å; K40-R42 PolarHBondContact O-N 2.96Å; K40-Y45 VanDerWaalsContact NZ-CD2 3.28Å; K40-F46 VanDerWaalsContact CA-CE1 3.4Å; K40-F46 HydrophobicContact CB-CD1 4.25Å; K40-F46 HydrophobicContact CB-CE1 3.53Å; K40-F46 HydrophobicContact CB-CE2 4.22Å; K40-F46 HydrophobicContact CB-CZ 3.5Å; K40-F46 HydrophobicContact CD-CD2 4.33Å; K40-F46 HydrophobicContact CD-CE2 4.2Å; K40-F46 HydrophobicContact CD-CZ 4.32Å; K40-F46 WeakPolarHBondContact CE-O 3.23Å; K40-F46 HydrophobicContact CG-CD1 4.02Å; K40-F46 HydrophobicContact CG-CE1 3.82Å; K40-F46 HydrophobicContact CG-CE2 4.31Å; K40-F46 HydrophobicContact CG-CG 4.39Å; K40-F46 HydrophobicContact CG-CZ 3.96Å; K40-F46 PolarHBondContact NZ-O 2.87Å; K40-R48 HydrophobicContact CD-CG 4.33Å; K40-R48 VanDerWaalsContact NZ-CG 3.34Å
41R85.2Confident83.5Confident204 Ų20457.3 Ų57.377%0.7725%0.25SC*.Hα-helixtrans-61.9-27.6177.4-74.3176.3176.1175.5-0.6112.7R37 I38 V39R37-R41 WeakPolarHBondContact O-CG 3.18Å; R37-R41 PolarHBondContact O-N 3.26Å; R37-R41 VanDerWaalsContact O-N 3.11Å; I38-R41 PolarHBondContact O-N 3.39Å; V39-R41 VanDerWaalsContact C-N 3.35Å; V39-R41 PolarHBondContact O-N 3.17Å
42R83.9Confident83.4Confident137 Ų13756.4 Ų56.452%0.51724%0.244SC..Hα-helixtrans-91-32-175.7-67.3-179.1-177.2-167.95.5114.9P23 I38 V39 K40P23-R42 PolarHBondContact O-NH1 3.41Å; I38-R42 WeakPolarHBondContact O-CG 3.24Å; I38-R42 PolarHBondContact O-N 2.84Å; V39-R42 PolarHBondContact O-N 3.08Å; V39-R42 VanDerWaalsContact O-N 3.08Å; K40-R42 PolarHBondContact O-N 2.96Å
43L74.5Confident83.4Confident45 Ų4556.5 Ų56.524%0.23624%0.244CC..Hα-helixtrans-91.8-19.4-172.3-81.5-173.6000116.4V17 L20 I22 V39V17-L43 HydrophobicContact CB-CD1 3.71Å; V17-L43 HydrophobicContact CG1-CD1 3.65Å; V17-L43 HydrophobicContact CG2-CD1 3.63Å; L20-L43 HydrophobicContact CD1-CD1 4.31Å; L20-L43 HydrophobicContact CD1-CD2 3.41Å; L20-L43 VanDerWaalsContact CD1-CD2 3.41Å; L20-L43 HydrophobicContact CD1-CG 4.5Å; I22-L43 HydrophobicContact CD1-CD1 3.46Å; I22-L43 VanDerWaalsContact CD1-CD1 3.46Å; I22-L43 HydrophobicContact CD1-CD2 3.6Å; I22-L43 HydrophobicContact CD1-CG 3.31Å; I22-L43 HydrophobicContact CG1-CD2 4.25Å; I22-L43 HydrophobicContact CG1-CG 4.43Å; V39-L43 HydrophobicContact CG1-CD1 4.19Å; V39-L43 PolarHBondContact O-N 3.24Å; V39-L43 VanDerWaalsContact O-N 3.1Å
44T66.4Low83.6Confident69 Ų6953.2 Ų53.242%0.42323%0.228SC..  trans109.7152.8-159.760.20000112.2F46T44-F46 PolarHBondContact O-N 3.35Å
45Y68.2Low83.6Confident156 Ų15653 Ų5361%0.61223%0.225SC*.  trans-62.2115.5-179.1-177.8-86.5000110.5K40K40-Y45 VanDerWaalsContact NZ-CD2 3.28Å
46F76.1Confident83.4Confident4 Ų456.2 Ų56.22%0.01824%0.24CC..  trans-110.4151.4162.357.6-100.8000110.4I36 K40 T44 R48 F51 L86 D100 T103 L106I36-F46 HydrophobicContact CG2-CE2 4.26Å; I36-F46 HydrophobicContact CG2-CZ 4.13Å; K40-F46 VanDerWaalsContact CA-CE1 3.4Å; K40-F46 HydrophobicContact CB-CD1 4.25Å; K40-F46 HydrophobicContact CB-CE1 3.53Å; K40-F46 HydrophobicContact CB-CE2 4.22Å; K40-F46 HydrophobicContact CB-CZ 3.5Å; K40-F46 HydrophobicContact CD-CD2 4.33Å; K40-F46 HydrophobicContact CD-CE2 4.2Å; K40-F46 HydrophobicContact CD-CZ 4.32Å; K40-F46 WeakPolarHBondContact CE-O 3.23Å; K40-F46 HydrophobicContact CG-CD1 4.02Å; K40-F46 HydrophobicContact CG-CE1 3.82Å; K40-F46 HydrophobicContact CG-CE2 4.31Å; K40-F46 HydrophobicContact CG-CG 4.39Å; K40-F46 HydrophobicContact CG-CZ 3.96Å; K40-F46 PolarHBondContact NZ-O 2.87Å; T44-F46 PolarHBondContact O-N 3.35Å; F46-R48 PolarHBondContact O-N 2.93Å; F46-F51 HydrophobicContact CB-CE2 3.97Å; F46-F51 HydrophobicContact CB-CZ 4.4Å; F46-F51 AromaticContact CD2-CD2 3.38Å; F46-F51 HydrophobicContact CD2-CD2 3.38Å; F46-F51 AromaticContact CD2-CE2 3.52Å; F46-F51 HydrophobicContact CD2-CE2 3.52Å; F46-F51 HydrophobicContact CD2-CG 4.2Å; F46-F51 HydrophobicContact CD2-CZ 4.42Å; F46-F51 HydrophobicContact CE2-CB 4.41Å; F46-F51 AromaticContact CE2-CD2 3.73Å; F46-F51 HydrophobicContact CE2-CD2 3.73Å; F46-F51 HydrophobicContact CE2-CE2 4.3Å; F46-F51 HydrophobicContact CE2-CG 4.18Å; F46-F51 HydrophobicContact CG-CD2 4.27Å; F46-F51 HydrophobicContact CG-CE2 4.01Å; F46-L86 HydrophobicContact CE1-CD2 3.99Å; F46-L86 HydrophobicContact CE2-CD2 4.49Å; F46-L86 HydrophobicContact CZ-CD2 3.72Å; F46-D100 WeakPolarHBondContact CA-OD1 3.33Å; F46-T103 WeakPolarHBondContact CA-OG1 3.45Å; F46-T103 WeakPolarHBondContact CB-OG1 3.49Å; F46-L106 HydrophobicContact CB-CD1 4.35Å; F46-L106 HydrophobicContact CD1-CD1 4.43Å; F46-L106 HydrophobicContact CG-CD1 4.49Å
47R71.4Confident83.1Confident96 Ų9655.9 Ų55.936%0.36224%0.238SC..  trans-56.8127-178.3-169.7163.6-179.4-176.6-0.7111.1L50 D100 T103R47-L50 HydrophobicContact CB-CD1 3.87Å; R47-L50 HydrophobicContact CB-CG 4.28Å; R47-L50 HydrophobicContact CG-CD1 4.06Å; R47-L50 HydrophobicContact CG-CG 4.24Å; R47-D100 PolarHBondContact N-OD2 2.97Å; R47-D100 VanDerWaalsContact N-OD2 3.15Å; R47-T103 HydrophobicContact CB-CG2 4.26Å; R47-T103 PolarHBondContact N-OG1 2.96Å
48R69.8Low82.8Confident138 Ų13857.2 Ų57.252%0.52126%0.261SS..THydrogen-bonded Turntrans-66152.9178.6-66.7-171.5179.41573.6109.6K40 F46 L50K40-R48 HydrophobicContact CD-CG 4.33Å; K40-R48 VanDerWaalsContact NZ-CG 3.34Å; F46-R48 PolarHBondContact O-N 2.93Å; R48-L50 VanDerWaalsContact C-N 3.28Å; R48-L50 PolarHBondContact O-N 2.95Å
49G78.3Confident82.6Confident20 Ų2064.1 Ų64.121%0.20628%0.284CS..THydrogen-bonded Turntrans82.2-7.217400000114.7R90G49-R90 WeakPolarHBondContact O-CD 3.22Å; G49-R90 PolarHBondContact O-NH1 3.44Å
50L84.5Confident82.4Confident5 Ų574.4 Ų74.43%0.02632%0.323CS..SBendtrans-94.2-13.3-179.1-58.1-169.6000115R47 R48 P88 N89 P92 I94 T103 F107R47-L50 HydrophobicContact CB-CD1 3.87Å; R47-L50 HydrophobicContact CB-CG 4.28Å; R47-L50 HydrophobicContact CG-CD1 4.06Å; R47-L50 HydrophobicContact CG-CG 4.24Å; R48-L50 VanDerWaalsContact C-N 3.28Å; R48-L50 PolarHBondContact O-N 2.95Å; L50-P88 WeakPolarHBondContact O-CA 3.33Å; L50-N89 PolarHBondContact O-N 3.45Å; L50-P92 HydrophobicContact CD2-CG 3.22Å; L50-I94 HydrophobicContact CD1-CD1 3.48Å; L50-I94 VanDerWaalsContact CD1-CD1 3.48Å; L50-I94 HydrophobicContact CD2-CD1 4.14Å; L50-I94 HydrophobicContact CG-CD1 4.46Å; L50-T103 HydrophobicContact CD1-CG2 3.73Å; L50-F107 HydrophobicContact CB-CE2 3.75Å; L50-F107 HydrophobicContact CB-CZ 3.84Å; L50-F107 HydrophobicContact CD1-CE2 3.85Å; L50-F107 HydrophobicContact CD1-CZ 4.12Å; L50-F107 HydrophobicContact CG-CE2 4.46Å
51F88.6Confident82.5Confident8 Ų876.3 Ų76.34%0.03534%0.336CS..EExtended strand (participates in β ladder)trans-118.3137.7-171-60.7-92.5000110F46 L86 R87 P88 T103 L106 F107F46-F51 HydrophobicContact CB-CE2 3.97Å; F46-F51 HydrophobicContact CB-CZ 4.4Å; F46-F51 AromaticContact CD2-CD2 3.38Å; F46-F51 HydrophobicContact CD2-CD2 3.38Å; F46-F51 AromaticContact CD2-CE2 3.52Å; F46-F51 HydrophobicContact CD2-CE2 3.52Å; F46-F51 HydrophobicContact CD2-CG 4.2Å; F46-F51 HydrophobicContact CD2-CZ 4.42Å; F46-F51 HydrophobicContact CE2-CB 4.41Å; F46-F51 AromaticContact CE2-CD2 3.73Å; F46-F51 HydrophobicContact CE2-CD2 3.73Å; F46-F51 HydrophobicContact CE2-CE2 4.3Å; F46-F51 HydrophobicContact CE2-CG 4.18Å; F46-F51 HydrophobicContact CG-CD2 4.27Å; F46-F51 HydrophobicContact CG-CE2 4.01Å; F51-L86 HydrophobicContact CB-CD1 3.88Å; F51-L86 HydrophobicContact CB-CG 4.23Å; F51-R87 WeakPolarHBondContact CA-O 3.34Å; F51-P88 HydrophobicContact CD1-CG 4.07Å; F51-P88 HydrophobicContact CE1-CG 3.76Å; F51-T103 HydrophobicContact CE2-CG2 4.22Å; F51-T103 HydrophobicContact CZ-CG2 4.22Å; F51-L106 HydrophobicContact CE1-CB 3.66Å; F51-L106 HydrophobicContact CE1-CD1 3.72Å; F51-L106 HydrophobicContact CE1-CG 4.33Å; F51-L106 HydrophobicContact CZ-CB 3.89Å; F51-L106 HydrophobicContact CZ-CD1 3.75Å; F51-L106 HydrophobicContact CZ-CG 4.48Å; F51-F107 HydrophobicContact CE1-CD2 4.28Å; F51-F107 HydrophobicContact CE1-CE2 4.16Å; F51-F107 HydrophobicContact CE2-CE2 4.14Å; F51-F107 AromaticContact CZ-CD2 3.9Å; F51-F107 HydrophobicContact CZ-CD2 3.9Å; F51-F107 AromaticContact CZ-CE2 3.76Å; F51-F107 HydrophobicContact CZ-CE2 3.76Å
52G91Very high82.8Confident0 Ų069.5 Ų69.50%032%0.315CS..EExtended strand (participates in β ladder)trans-114.9171.4171.100000111.8R87 N89G52-R87 PolarHBondContact N-O 3.45Å; G52-R87 PolarHBondContact O-N 3.34Å; G52-N89 PolarHBondContact N-OD1 2.84Å; G52-N89 VanDerWaalsContact N-OD1 3.12Å
53L94.4Very high83.2Confident1 Ų163.6 Ų63.61%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-106.5126.5176.6-165.774.3000109.4V15 C32 L35 I36 W64 A65 A84V15-L53 HydrophobicContact CG1-CD1 4.33Å; C32-L53 HydrophobicContact CB-CD2 4.18Å; L35-L53 HydrophobicContact CD2-CD1 4.41Å; L35-L53 HydrophobicContact CD2-CD2 3.82Å; I36-L53 HydrophobicContact CD1-CB 4.37Å; L53-W64 WeakPolarHBondContact O-CA 3.5Å; L53-A65 HydrophobicContact CB-CB 4.42Å; L53-A65 PolarHBondContact O-N 3.06Å; L53-A84 HydrophobicContact CD1-CB 3.74Å; L53-A84 HydrophobicContact CD2-CB 4.16Å; L53-A84 HydrophobicContact CG-CB 4Å
54Q94.2Very high84.2Confident20 Ų2062.5 Ų62.59%0.09329%0.286CS..EExtended strand (participates in β ladder)trans-103.7149167-63.4-169.7-45.100111L62 H63 W64 A84 Y85 R87Q54-L62 HydrophobicContact CB-CD2 4.27Å; Q54-H63 CarbonylContact C-O 3.46Å; Q54-H63 WeakPolarHBondContact CA-O 3.27Å; Q54-W64 HydrophobicContact CG-CD2 3.55Å; Q54-W64 HydrophobicContact CG-CE3 3.31Å; Q54-W64 HydrophobicContact CG-CG 4.28Å; Q54-W64 HydrophobicContact CG-CH2 3.7Å; Q54-W64 HydrophobicContact CG-CZ2 3.97Å; Q54-W64 HydrophobicContact CG-CZ3 3.37Å; Q54-A84 CarbonylContact O-C 3.59Å; Q54-A84 WeakPolarHBondContact O-CA 3.44Å; Q54-Y85 PolarHBondContact N-O 3.4Å; Q54-Y85 PolarHBondContact O-N 2.91Å; Q54-R87 VanDerWaalsContact OE1-CD 3.23Å
55Y92.1Very high85.5Confident37 Ų3759.2 Ų59.215%0.14527%0.266CS..EExtended strand (participates in β ladder)trans-133.3151.6170.667.8-79.9000109.3L62 H63 A65 L74Y55-L62 WeakPolarHBondContact O-CA 3.36Å; Y55-H63 HydrophobicContact CD1-CB 4.37Å; Y55-H63 VanDerWaalsContact CD1-O 3.25Å; Y55-H63 WeakPolarHBondContact CD1-O 3.3Å; Y55-H63 HydrophobicContact CE1-CB 3.78Å; Y55-H63 HydrophobicContact CE2-CB 4.37Å; Y55-H63 PolarHBondContact N-O 3.48Å; Y55-H63 PolarHBondContact O-N 3.27Å; Y55-A65 HydrophobicContact CD1-CB 4.03Å; Y55-A65 HydrophobicContact CE1-CB 4.16Å; Y55-L74 HydrophobicContact CD1-CD2 3.93Å; Y55-L74 HydrophobicContact CE1-CD2 3.46Å; Y55-L74 VanDerWaalsContact CE1-CD2 3.46Å; Y55-L74 HydrophobicContact CE2-CD2 4.17Å; Y55-L74 HydrophobicContact CG-CD2 4.46Å
56E89.5Confident86.7Confident67 Ų6752.6 Ų52.631%0.31324%0.243SC..EExtended strand (participates in β ladder)trans-86.4144.2173-70.6179.1-176.900109.5T61 L62 R78 Y85E56-T61 CarbonylContact C-O 3.54Å; E56-T61 WeakPolarHBondContact CA-O 3.17Å; E56-L62 HydrophobicContact CG-CD2 3.39Å; E56-L62 HydrophobicContact CG-CG 3.97Å; E56-R78 PolarHBondContact O-NH1 3.16Å; E56-R78 PolarHBondContact O-NH2 3.21Å; E56-Y85 HydrophobicContact CG-CE2 3.99Å; E56-Y85 PolarHBondContact OE1-OH 2.94Å; E56-Y85 VanDerWaalsContact OE1-OH 3.08Å
57D84Confident87.4Confident14 Ų1453.3 Ų53.38%0.07525%0.247CC..  trans-89.4-178.2169.570.510.5000112.9R59 R60 T61 H63 K280D57-R59 PolarHBondContact O-N 2.86Å; D57-R59 VanDerWaalsContact O-N 3.13Å; D57-R59 VanDerWaalsContact OD1-C 3.25Å; D57-R59 VanDerWaalsContact OD1-CA 3.29Å; D57-R59 WeakPolarHBondContact OD1-CA 3.4Å; D57-R59 WeakPolarHBondContact OD1-CB 2.88Å; D57-R59 PolarHBondContact OD1-N 3.21Å; D57-R60 PolarHBondContact O-N 2.64Å; D57-R60 PolarHBondContact OD1-N 3.45Å; D57-R60 VanDerWaalsContact OD1-N 3.16Å; D57-T61 PolarHBondContact N-O 3.33Å; D57-T61 WeakPolarHBondContact OD1-CB 3.24Å; D57-T61 PolarHBondContact OD1-N 3.05Å; D57-H63 IonicContact OD2-CD2 3.96Å; D57-H63 IonicContact OD2-CE1 3.34Å; D57-H63 IonicContact OD2-NE2 2.79Å; D57-H63 PolarHBondContact OD2-NE2 3.49Å; D57-K280 IonicContact OD2-NZ 3.24Å; D57-K280 PolarHBondContact OD2-NZ 2.76Å
58S82.9Confident88.3Confident116 Ų11655.5 Ų55.581%0.81127%0.266SS*.THydrogen-bonded Turntrans-61.7-16.7176.353.80000113.9
59R85Confident89.4Confident192 Ų19252 Ų5273%0.72526%0.255SS*.THydrogen-bonded Turntrans-9915.4175.2-60.7-174.7177.5-171.7-2.1112.1D57 T61D57-R59 PolarHBondContact O-N 2.86Å; D57-R59 VanDerWaalsContact O-N 3.13Å; D57-R59 VanDerWaalsContact OD1-C 3.25Å; D57-R59 VanDerWaalsContact OD1-CA 3.29Å; D57-R59 WeakPolarHBondContact OD1-CA 3.4Å; D57-R59 WeakPolarHBondContact OD1-CB 2.88Å; D57-R59 PolarHBondContact OD1-N 3.21Å; R59-T61 PolarHBondContact O-N 3.19Å; R59-T61 VanDerWaalsContact O-N 3.13Å
60R85.3Confident90Very high216 Ų21652.2 Ų52.282%0.81525%0.254SS*.SBendtrans56.524.3-177.5-55-174.3177.1-162.5-0.6113.8D57D57-R60 PolarHBondContact O-N 2.64Å; D57-R60 PolarHBondContact OD1-N 3.45Å; D57-R60 VanDerWaalsContact OD1-N 3.16Å
61T87.1Confident90.3Very high58 Ų5852 Ų5236%0.35625%0.252SS..  trans-90.1132.6174-54.10000108.9E56 D57 R59 H63E56-T61 CarbonylContact C-O 3.54Å; E56-T61 WeakPolarHBondContact CA-O 3.17Å; D57-T61 PolarHBondContact N-O 3.33Å; D57-T61 WeakPolarHBondContact OD1-CB 3.24Å; D57-T61 PolarHBondContact OD1-N 3.05Å; R59-T61 PolarHBondContact O-N 3.19Å; R59-T61 VanDerWaalsContact O-N 3.13Å; T61-H63 PolarHBondContact O-CD2 3.37Å; T61-H63 PolarHBondContact O-NE2 3.28Å
62L91.6Very high90.3Very high61 Ų6153 Ų5332%0.31926%0.258SS..EExtended strand (participates in β ladder)trans-80.5133.5177.8-74.6164.4000111.1Q54 Y55 E56 Y85Q54-L62 HydrophobicContact CB-CD2 4.27Å; Y55-L62 WeakPolarHBondContact O-CA 3.36Å; E56-L62 HydrophobicContact CG-CD2 3.39Å; E56-L62 HydrophobicContact CG-CG 3.97Å; L62-Y85 HydrophobicContact CD2-CD2 3.78Å; L62-Y85 HydrophobicContact CD2-CE2 3.87Å
63H92.2Very high90.1Very high13 Ų1357.4 Ų57.46%0.0628%0.281CS..EExtended strand (participates in β ladder)trans-131.7140.1177.4-60.9-74.5000109.8Q54 Y55 D57 T61Q54-H63 CarbonylContact C-O 3.46Å; Q54-H63 WeakPolarHBondContact CA-O 3.27Å; Y55-H63 HydrophobicContact CD1-CB 4.37Å; Y55-H63 VanDerWaalsContact CD1-O 3.25Å; Y55-H63 WeakPolarHBondContact CD1-O 3.3Å; Y55-H63 HydrophobicContact CE1-CB 3.78Å; Y55-H63 HydrophobicContact CE2-CB 4.37Å; Y55-H63 PolarHBondContact N-O 3.48Å; Y55-H63 PolarHBondContact O-N 3.27Å; D57-H63 IonicContact OD2-CD2 3.96Å; D57-H63 IonicContact OD2-CE1 3.34Å; D57-H63 IonicContact OD2-NE2 2.79Å; D57-H63 PolarHBondContact OD2-NE2 3.49Å; T61-H63 PolarHBondContact O-CD2 3.37Å; T61-H63 PolarHBondContact O-NE2 3.28Å
64W94.7Very high89.8Confident22 Ų2258 Ų588%0.08328%0.284CS..EExtended strand (participates in β ladder)trans-68.7135.4165.3-61.5103.3000110.4L53 Q54 R87 P88 N89 Q284 I287 L288L53-W64 WeakPolarHBondContact O-CA 3.5Å; Q54-W64 HydrophobicContact CG-CD2 3.55Å; Q54-W64 HydrophobicContact CG-CE3 3.31Å; Q54-W64 HydrophobicContact CG-CG 4.28Å; Q54-W64 HydrophobicContact CG-CH2 3.7Å; Q54-W64 HydrophobicContact CG-CZ2 3.97Å; Q54-W64 HydrophobicContact CG-CZ3 3.37Å; W64-R87 HydrophobicContact CH2-CB 3.8Å; W64-R87 HydrophobicContact CZ3-CB 4.19Å; W64-P88 WeakPolarHBondContact CH2-O 3.07Å; W64-N89 HydrophobicContact CD2-CB 4.19Å; W64-N89 HydrophobicContact CE3-CB 3.86Å; W64-N89 HydrophobicContact CH2-CB 3.28Å; W64-N89 HydrophobicContact CZ2-CB 3.59Å; W64-N89 HydrophobicContact CZ3-CB 3.41Å; W64-N89 VanDerWaalsContact CZ3-CB 3.41Å; W64-Q284 VanDerWaalsContact CB-OE1 3.28Å; W64-Q284 VanDerWaalsContact CD1-OE1 3.31Å; W64-Q284 PolarHBondContact O-NE2 2.98Å; W64-I287 HydrophobicContact CB-CG2 4.36Å; W64-L288 HydrophobicContact CB-CD2 4.45Å; W64-L288 HydrophobicContact CD2-CD2 4.19Å; W64-L288 HydrophobicContact CG-CD2 3.87Å; W64-L288 HydrophobicContact CG-CG 4.32Å
65A94Very high89.3Confident0 Ų057.3 Ų57.30%028%0.281CS..PPolyproline II helixtrans-90.4143.4170.800000110.4L53 Y55 L74L53-A65 HydrophobicContact CB-CB 4.42Å; L53-A65 PolarHBondContact O-N 3.06Å; Y55-A65 HydrophobicContact CD1-CB 4.03Å; Y55-A65 HydrophobicContact CE1-CB 4.16Å; A65-L74 HydrophobicContact CB-CD1 3.56Å; A65-L74 HydrophobicContact CB-CD2 4.33Å
66A93.3Very high88.5Confident17 Ų1759.8 Ų59.814%0.1430%0.3CS..PPolyproline II helixtrans-69.3141170.700000109.8N68 Q69 I287A66-N68 VanDerWaalsContact C-N 3.25Å; A66-N68 WeakPolarHBondContact CB-OD1 3.43Å; A66-N68 PolarHBondContact O-N 3.31Å; A66-Q69 HydrophobicContact CB-CB 4.1Å; A66-Q69 VanDerWaalsContact O-CB 3.27Å; A66-Q69 WeakPolarHBondContact O-CB 3.45Å; A66-Q69 PolarHBondContact O-N 3.33Å; A66-I287 HydrophobicContact CB-CD1 4.15Å; A66-I287 HydrophobicContact CB-CG1 4.01Å; A66-I287 HydrophobicContact CB-CG2 4.34Å
67M90.6Very high87.6Confident19 Ų1960.6 Ų60.69%0.09433%0.326CS..THydrogen-bonded Turntrans-61.6-34.3-174-63-56.5133.600113.1C32 Q33 I36C32-M67 PolarHBondContact N-O 3.25Å; Q33-M67 HydrophobicContact CB-CB 4.41Å; Q33-M67 WeakPolarHBondContact CB-O 3.3Å; Q33-M67 PolarHBondContact N-O 3.09Å; I36-M67 HydrophobicContact CD1-SD 3.71Å
68N91.4Very high86.8Confident141 Ų14164.3 Ų64.375%0.75434%0.339SS*.THydrogen-bonded Turntrans-85.8-2.7178.564.1-26.3000113.9A66A66-N68 VanDerWaalsContact C-N 3.25Å; A66-N68 WeakPolarHBondContact CB-OD1 3.43Å; A66-N68 PolarHBondContact O-N 3.31Å
69Q92.2Very high86.1Confident64 Ų6463 Ų6330%0.29933%0.329SS..SBendtrans-74.1139.7-179.6-169.8169.910.800111.1S31 C32 A66 V71 L74S31-Q69 CarbonylContact C-O 3.55Å; S31-Q69 WeakPolarHBondContact CA-O 3.36Å; C32-Q69 PolarHBondContact N-O 3.21Å; C32-Q69 PolarHBondContact SG-O 3.43Å; C32-Q69 VanDerWaalsContact SG-O 3.34Å; A66-Q69 HydrophobicContact CB-CB 4.1Å; A66-Q69 VanDerWaalsContact O-CB 3.27Å; A66-Q69 WeakPolarHBondContact O-CB 3.45Å; A66-Q69 PolarHBondContact O-N 3.33Å; Q69-V71 PolarHBondContact O-N 3.41Å; Q69-L74 VanDerWaalsContact CD-CD2 3.4Å; Q69-L74 HydrophobicContact CG-CD1 4.45Å; Q69-L74 HydrophobicContact CG-CD2 4.28Å; Q69-L74 HydrophobicContact CG-CG 4.03Å
70S92.1Very high85.7Confident25 Ų2561.1 Ų61.118%0.17533%0.327CS..BIsolated β-bridgetrans-62.1131.8172.7170.40000110.6M72 D73 L74S70-M72 VanDerWaalsContact C-N 3.28Å; S70-M72 PolarHBondContact OG-N 3.05Å; S70-D73 WeakPolarHBondContact CB-OD2 3.37Å; S70-D73 PolarHBondContact O-N 3.17Å; S70-D73 PolarHBondContact OG-N 2.9Å; S70-L74 PolarHBondContact O-N 3.46Å
71V90.6Very high85.6Confident0 Ų054.1 Ų54.10%031%0.308CS..Hα-helixtrans-67.7-34.2176.6-1800000110.6V13 V26 M30 S31 L35 Q69 L74 F75V13-V71 HydrophobicContact CG2-CG1 3.94Å; V26-V71 HydrophobicContact CB-CG1 4.44Å; V26-V71 HydrophobicContact CG1-CB 3.69Å; V26-V71 HydrophobicContact CG1-CG1 3.74Å; V26-V71 HydrophobicContact CG2-CG1 4.08Å; M30-V71 PolarHBondContact O-N 3.48Å; S31-V71 WeakPolarHBondContact O-CG2 3.43Å; L35-V71 HydrophobicContact CB-CG2 4.12Å; L35-V71 HydrophobicContact CD2-CG1 4.12Å; L35-V71 HydrophobicContact CD2-CG2 4.12Å; Q69-V71 PolarHBondContact O-N 3.41Å; V71-L74 PolarHBondContact O-N 3.34Å; V71-F75 HydrophobicContact CG1-CD2 4Å; V71-F75 HydrophobicContact CG1-CE2 3.97Å; V71-F75 WeakPolarHBondContact O-CD2 3.35Å
72M87.5Confident85.7Confident30 Ų3051.6 Ų51.615%0.14829%0.293CS..Hα-helixtrans-62.7-48.2175.2-66.9-64.7-78.600110.5I8 L11 V26 S70 L74 F75 V76I8-M72 HydrophobicContact CB-CE 4.31Å; I8-M72 HydrophobicContact CG2-CE 3.82Å; I8-M72 WeakPolarHBondContact O-CE 3.35Å; L11-M72 HydrophobicContact CB-CE 4.2Å; L11-M72 HydrophobicContact CB-SD 3.31Å; L11-M72 WeakPolarHBondContact CB-SD 3.5Å; L11-M72 HydrophobicContact CD2-SD 4.06Å; L11-M72 HydrophobicContact CG-SD 4.31Å; V26-M72 HydrophobicContact CG1-CG 4.35Å; V26-M72 HydrophobicContact CG1-SD 4.24Å; S70-M72 VanDerWaalsContact C-N 3.28Å; S70-M72 PolarHBondContact OG-N 3.05Å; M72-L74 PolarHBondContact O-N 3.46Å; M72-F75 CarbonylContact O-C 3.51Å; M72-F75 PolarHBondContact O-N 3.26Å; M72-V76 VanDerWaalsContact O-CG2 3.29Å; M72-V76 WeakPolarHBondContact O-CG2 3.18Å; M72-V76 PolarHBondContact O-N 3.32Å
73D87.8Confident85.6Confident92 Ų9251 Ų5149%0.49229%0.292SS..Hα-helixtrans-58.9-34.2179.9-74.3-22.8000112.9S70 F75S70-D73 WeakPolarHBondContact CB-OD2 3.37Å; S70-D73 PolarHBondContact O-N 3.17Å; S70-D73 PolarHBondContact OG-N 2.9Å; D73-F75 VanDerWaalsContact C-N 3.27Å; D73-F75 PolarHBondContact O-N 2.92Å
74L86.9Confident85.7Confident14 Ų1450.3 Ų50.37%0.07329%0.289CS..Hα-helixtrans-64.7-29.5175.9-79.1171.8000114C32 Y55 A65 Q69 S70 V71 M72C32-L74 WeakPolarHBondContact SG-CD1 3.28Å; Y55-L74 HydrophobicContact CD1-CD2 3.93Å; Y55-L74 HydrophobicContact CE1-CD2 3.46Å; Y55-L74 VanDerWaalsContact CE1-CD2 3.46Å; Y55-L74 HydrophobicContact CE2-CD2 4.17Å; Y55-L74 HydrophobicContact CG-CD2 4.46Å; A65-L74 HydrophobicContact CB-CD1 3.56Å; A65-L74 HydrophobicContact CB-CD2 4.33Å; Q69-L74 VanDerWaalsContact CD-CD2 3.4Å; Q69-L74 HydrophobicContact CG-CD1 4.45Å; Q69-L74 HydrophobicContact CG-CD2 4.28Å; Q69-L74 HydrophobicContact CG-CG 4.03Å; S70-L74 PolarHBondContact O-N 3.46Å; V71-L74 PolarHBondContact O-N 3.34Å; M72-L74 PolarHBondContact O-N 3.46Å
75F84.1Confident85.6Confident6 Ų651.1 Ų51.13%0.02629%0.292CS..THydrogen-bonded Turntrans-117.415.5-172.9-60.3-64.5000113.2L11 V13 V71 M72 D73 G77 R78 A82 A84L11-F75 HydrophobicContact CD2-CB 3.73Å; L11-F75 HydrophobicContact CD2-CD2 3.75Å; L11-F75 HydrophobicContact CD2-CG 4.12Å; V13-F75 HydrophobicContact CG1-CE2 4.45Å; V71-F75 HydrophobicContact CG1-CD2 4Å; V71-F75 HydrophobicContact CG1-CE2 3.97Å; V71-F75 WeakPolarHBondContact O-CD2 3.35Å; M72-F75 CarbonylContact O-C 3.51Å; M72-F75 PolarHBondContact O-N 3.26Å; D73-F75 VanDerWaalsContact C-N 3.27Å; D73-F75 PolarHBondContact O-N 2.92Å; F75-G77 PolarHBondContact O-N 3.29Å; F75-R78 WeakPolarHBondContact O-CB 3.41Å; F75-R78 WeakPolarHBondContact O-CG 3.5Å; F75-R78 PolarHBondContact O-N 3.27Å; F75-R78 VanDerWaalsContact O-N 3.15Å; F75-A82 HydrophobicContact CB-CB 4Å; F75-A82 HydrophobicContact CD1-CB 3.59Å; F75-A82 HydrophobicContact CD2-CB 3.68Å; F75-A82 HydrophobicContact CE1-CB 3.88Å; F75-A82 HydrophobicContact CE2-CB 3.99Å; F75-A82 HydrophobicContact CG-CB 3.48Å; F75-A82 VanDerWaalsContact CG-CB 3.48Å; F75-A82 HydrophobicContact CZ-CB 4.08Å; F75-A84 HydrophobicContact CZ-CB 4.21Å
76V76.1Confident85.6Confident88 Ų8851.4 Ų51.453%0.53329%0.294SS..THydrogen-bonded Turntrans-54.5135.7175.1177.40000110.8M72 R78M72-V76 VanDerWaalsContact O-CG2 3.29Å; M72-V76 WeakPolarHBondContact O-CG2 3.18Å; M72-V76 PolarHBondContact O-N 3.32Å; V76-R78 PolarHBondContact O-N 2.91Å
77G69.7Low85.5Confident84 Ų8453.6 Ų53.687%0.86630%0.298SS*.THydrogen-bonded Turntrans73.38.6178.800000114.7F75F75-G77 PolarHBondContact O-N 3.29Å
78R67.5Low85.5Confident93 Ų9353 Ų5335%0.35130%0.295SS..SBendtrans-97.7174173.3-55.4-167.9-169.9-160.47.1111.8E56 F75 V76E56-R78 PolarHBondContact O-NH1 3.16Å; E56-R78 PolarHBondContact O-NH2 3.21Å; F75-R78 WeakPolarHBondContact O-CB 3.41Å; F75-R78 WeakPolarHBondContact O-CG 3.5Å; F75-R78 PolarHBondContact O-N 3.27Å; F75-R78 VanDerWaalsContact O-N 3.15Å; V76-R78 PolarHBondContact O-N 2.91Å
79S69.4Low85.2Confident87 Ų8746.2 Ų46.261%0.60826%0.259SS*.  trans-49.7153.8170.2-178.40000112V81S79-V81 PolarHBondContact O-N 3.37Å
80K74.9Confident84.8Confident153 Ų15343.4 Ų43.467%0.66525%0.246SC*.SBendtrans-57.2-13.7173.3-65.1-174.3177.8-175.80113.7L11 Y12L11-K80 WeakPolarHBondContact CD1-O 3.49Å; Y12-K80 PolarHBondContact N-O 3.37Å; Y12-K80 VanDerWaalsContact N-O 3.1Å
81V84Confident84.4Confident69 Ų6942.6 Ų42.642%0.41824%0.239SC..EExtended strand (participates in β ladder)trans-114.5118.9173.7179.50000109.8Y12 I14 S79Y12-V81 HydrophobicContact CD1-CG1 4.02Å; Y12-V81 HydrophobicContact CD1-CG2 4.09Å; Y12-V81 CarbonylContact O-C 3.56Å; Y12-V81 VanDerWaalsContact O-CA 3.28Å; Y12-V81 WeakPolarHBondContact O-CA 3.48Å; I14-V81 HydrophobicContact CD1-CG1 3.94Å; I14-V81 HydrophobicContact CG1-CG1 4.17Å; S79-V81 PolarHBondContact O-N 3.37Å
82A88.4Confident83.8Confident5 Ų542.8 Ų42.84%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-108.1158174.400000111.4L11 Y12 V13 I14 F75L11-A82 HydrophobicContact CD1-CB 4.22Å; L11-A82 HydrophobicContact CD2-CB 4.11Å; L11-A82 HydrophobicContact CG-CB 4.38Å; Y12-A82 PolarHBondContact O-N 3.38Å; V13-A82 WeakPolarHBondContact CA-O 3.49Å; V13-A82 HydrophobicContact CG2-CB 4.25Å; I14-A82 PolarHBondContact N-O 2.95Å; F75-A82 HydrophobicContact CB-CB 4Å; F75-A82 HydrophobicContact CD1-CB 3.59Å; F75-A82 HydrophobicContact CD2-CB 3.68Å; F75-A82 HydrophobicContact CE1-CB 3.88Å; F75-A82 HydrophobicContact CE2-CB 3.99Å; F75-A82 HydrophobicContact CG-CB 3.48Å; F75-A82 VanDerWaalsContact CG-CB 3.48Å; F75-A82 HydrophobicContact CZ-CB 4.08Å
83T91Very high83.2Confident48 Ų4846.5 Ų46.529%0.29426%0.261SS..EExtended strand (participates in β ladder)trans-121.8131.8177.4-60.20000109.3H16 Y85H16-T83 VanDerWaalsContact CD2-CG2 3.46Å; H16-T83 WeakPolarHBondContact CD2-CG2 3.21Å; T83-Y85 HydrophobicContact CG2-CE1 4.45Å; T83-Y85 HydrophobicContact CG2-CE2 3.94Å
84A93.2Very high82.5Confident0 Ų042.5 Ų42.50%024%0.239CC..EExtended strand (participates in β ladder)trans-132.2160.3174.600000109.9V13 I14 V15 H16 L53 Q54 F75V13-A84 HydrophobicContact CG1-CB 3.96Å; I14-A84 PolarHBondContact O-N 2.69Å; V15-A84 CarbonylContact C-O 3.56Å; V15-A84 WeakPolarHBondContact CA-O 3.34Å; H16-A84 PolarHBondContact N-O 2.98Å; L53-A84 HydrophobicContact CD1-CB 3.74Å; L53-A84 HydrophobicContact CD2-CB 4.16Å; L53-A84 HydrophobicContact CG-CB 4Å; Q54-A84 CarbonylContact O-C 3.59Å; Q54-A84 WeakPolarHBondContact O-CA 3.44Å; F75-A84 HydrophobicContact CZ-CB 4.21Å
85Y93.9Very high82.2Confident39 Ų3946.4 Ų46.415%0.15326%0.26CS..EExtended strand (participates in β ladder)trans-127118.3-177.7-54.4-96.5000109.4H16 Q54 E56 L62 T83H16-Y85 HydrophobicContact CB-CD1 3.53Å; H16-Y85 HydrophobicContact CB-CE1 3.94Å; H16-Y85 HydrophobicContact CB-CG 4.3Å; H16-Y85 AromaticContact CG-CE1 3.98Å; H16-Y85 CarbonylContact O-C 3.48Å; H16-Y85 WeakPolarHBondContact O-CA 3.45Å; Q54-Y85 PolarHBondContact N-O 3.4Å; Q54-Y85 PolarHBondContact O-N 2.91Å; E56-Y85 HydrophobicContact CG-CE2 3.99Å; E56-Y85 PolarHBondContact OE1-OH 2.94Å; E56-Y85 VanDerWaalsContact OE1-OH 3.08Å; L62-Y85 HydrophobicContact CD2-CD2 3.78Å; L62-Y85 HydrophobicContact CD2-CE2 3.87Å; T83-Y85 HydrophobicContact CG2-CE1 4.45Å; T83-Y85 HydrophobicContact CG2-CE2 3.94Å
86L92.9Very high82.2Confident6 Ų646.3 Ų46.33%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-82.4120.2170.1-173.671.9000108.5V15 H16 V17 I36 V39 F46 F51V15-L86 HydrophobicContact CG1-CB 3.98Å; H16-L86 PolarHBondContact O-N 3.38Å; V17-L86 HydrophobicContact CG1-CD2 4.24Å; V17-L86 HydrophobicContact CG2-CB 3.91Å; V17-L86 HydrophobicContact CG2-CD2 4Å; I36-L86 HydrophobicContact CB-CD1 4.43Å; I36-L86 HydrophobicContact CD1-CD1 4.19Å; I36-L86 HydrophobicContact CG1-CD1 3.78Å; I36-L86 HydrophobicContact CG2-CD1 4.03Å; V39-L86 HydrophobicContact CG1-CD2 3.82Å; F46-L86 HydrophobicContact CE1-CD2 3.99Å; F46-L86 HydrophobicContact CE2-CD2 4.49Å; F46-L86 HydrophobicContact CZ-CD2 3.72Å; F51-L86 HydrophobicContact CB-CD1 3.88Å; F51-L86 HydrophobicContact CB-CG 4.23Å
87R91.9Very high82.3Confident63 Ų6345.2 Ų45.224%0.23826%0.26CS..EExtended strand (participates in β ladder)trans-141.6148.5-177.1-64.6-176.6-172.4-179.3-0110.9F51 G52 Q54 W64 N89F51-R87 WeakPolarHBondContact CA-O 3.34Å; G52-R87 PolarHBondContact N-O 3.45Å; G52-R87 PolarHBondContact O-N 3.34Å; Q54-R87 VanDerWaalsContact OE1-CD 3.23Å; W64-R87 HydrophobicContact CH2-CB 3.8Å; W64-R87 HydrophobicContact CZ3-CB 4.19Å; R87-N89 PolarHBondContact O-N 3.37Å
88P89.1Confident82.8Confident5 Ų546.4 Ų46.43%0.03225%0.251CS..EExtended strand (participates in β ladder)trans-53.1133.4164.2-25.335000110.5L50 F51 W64 F91 F107 H110L50-P88 WeakPolarHBondContact O-CA 3.33Å; F51-P88 HydrophobicContact CD1-CG 4.07Å; F51-P88 HydrophobicContact CE1-CG 3.76Å; W64-P88 WeakPolarHBondContact CH2-O 3.07Å; P88-F91 HydrophobicContact CB-CZ 4.32Å; P88-F107 HydrophobicContact CB-CD1 3.96Å; P88-F107 HydrophobicContact CB-CD2 4.24Å; P88-F107 HydrophobicContact CB-CE1 3.67Å; P88-F107 HydrophobicContact CB-CE2 3.95Å; P88-F107 HydrophobicContact CB-CG 4.25Å; P88-F107 HydrophobicContact CB-CZ 3.67Å; P88-F107 HydrophobicContact CG-CD1 4.21Å; P88-F107 HydrophobicContact CG-CD2 3.94Å; P88-F107 HydrophobicContact CG-CE1 4.34Å; P88-F107 HydrophobicContact CG-CE2 4.06Å; P88-F107 HydrophobicContact CG-CG 4.03Å; P88-F107 HydrophobicContact CG-CZ 4.27Å; P88-H110 HydrophobicContact CB-CB 4.4Å; P88-H110 HydrophobicContact CG-CB 3.65Å; P88-H110 PolarHBondContact O-NE2 3.14Å
89N86.7Confident83.5Confident0 Ų042.9 Ų42.90%024%0.24CC..  trans-138.2-11.1176.376.1-33.1000113.4L50 G52 W64 R87 D291 Y292L50-N89 PolarHBondContact O-N 3.45Å; G52-N89 PolarHBondContact N-OD1 2.84Å; G52-N89 VanDerWaalsContact N-OD1 3.12Å; W64-N89 HydrophobicContact CD2-CB 4.19Å; W64-N89 HydrophobicContact CE3-CB 3.86Å; W64-N89 HydrophobicContact CH2-CB 3.28Å; W64-N89 HydrophobicContact CZ2-CB 3.59Å; W64-N89 HydrophobicContact CZ3-CB 3.41Å; W64-N89 VanDerWaalsContact CZ3-CB 3.41Å; R87-N89 PolarHBondContact O-N 3.37Å; N89-D291 PolarHBondContact ND2-OD2 2.92Å; N89-Y292 WeakPolarHBondContact O-CE2 3.4Å; N89-Y292 PolarHBondContact O-OH 3.33Å
90R84.2Confident84.2Confident5 Ų540.7 Ų40.72%0.01922%0.221CC..  trans-124130.1177.4-64.1146.6174.7164.5-6.3107.3G49 P92 F107 D291 Y292 E294 V295G49-R90 WeakPolarHBondContact O-CD 3.22Å; G49-R90 PolarHBondContact O-NH1 3.44Å; R90-P92 WeakPolarHBondContact O-CD 3.35Å; R90-F107 WeakPolarHBondContact O-CZ 3.3Å; R90-D291 HydrophobicContact CG-CB 4.29Å; R90-D291 IonicContact CZ-OD1 2.63Å; R90-D291 PolarHBondContact NE-O 2.91Å; R90-D291 IonicContact NE-OD1 3.74Å; R90-D291 IonicContact NE-OD2 3.38Å; R90-D291 IonicContact NH2-OD1 2.66Å; R90-D291 PolarHBondContact NH2-OD1 3Å; R90-D291 IonicContact NH2-OD2 3.22Å; R90-Y292 HydrophobicContact CG-CD2 4.34Å; R90-Y292 HydrophobicContact CG-CE2 4.46Å; R90-E294 IonicContact CZ-OE2 3.41Å; R90-E294 IonicContact NH2-OE2 3.92Å; R90-E294 PolarHBondContact NH2-OE2 3.41Å; R90-V295 HydrophobicContact CB-CG2 3.83Å; R90-V295 HydrophobicContact CG-CG2 3.85Å
91F83.4Confident84.6Confident8 Ų836.3 Ų36.34%0.03521%0.214CC..  trans-122.981.1-170.8-64.3-98.8000109.3P88 F107 H110 L111 I114 Y206 V227 Y292P88-F91 HydrophobicContact CB-CZ 4.32Å; F91-F107 HydrophobicContact CD1-CD1 4.17Å; F91-F107 AromaticContact CD1-CE1 3.72Å; F91-F107 HydrophobicContact CD1-CE1 3.72Å; F91-F107 HydrophobicContact CE1-CD1 4.12Å; F91-F107 AromaticContact CE1-CE1 3.9Å; F91-F107 HydrophobicContact CE1-CE1 3.9Å; F91-F107 HydrophobicContact CG-CE1 4.37Å; F91-H110 AromaticContact CZ-CD2 3.78Å; F91-H110 AromaticContact CZ-NE2 3.75Å; F91-L111 HydrophobicContact CE1-CD2 3.84Å; F91-I114 HydrophobicContact CZ-CD1 4.25Å; F91-Y206 HydrophobicContact CB-CE1 4.47Å; F91-Y206 HydrophobicContact CD1-CE2 4.13Å; F91-Y206 AromaticContact CD1-CZ 3.99Å; F91-V227 WeakPolarHBondContact O-CB 3.4Å; F91-Y292 WeakPolarHBondContact CD2-OH 3.23Å
92P76.6Confident84.7Confident3 Ų334.1 Ų34.12%0.01920%0.203CC..  trans-77166.1-179.49.74.6000111.8L50 R90 I94 V227 V295 E299L50-P92 HydrophobicContact CD2-CG 3.22Å; R90-P92 WeakPolarHBondContact O-CD 3.35Å; P92-I94 HydrophobicContact CB-CD1 4.33Å; P92-I94 HydrophobicContact CB-CG1 4.06Å; P92-I94 HydrophobicContact CG-CD1 3.62Å; P92-I94 HydrophobicContact CG-CG1 3.91Å; P92-I94 PolarHBondContact O-N 2.96Å; P92-V227 HydrophobicContact CB-CG2 4.44Å; P92-V295 HydrophobicContact CB-CG1 4.05Å; P92-V295 HydrophobicContact CG-CG1 4.09Å; P92-E299 WeakPolarHBondContact CB-OE1 3.41Å
93N75.4Confident84.5Confident109 Ų10933.9 Ų33.958%0.58320%0.201SC*.  trans-7282.8172.7-72.2-26.2000109.5
94I74.1Confident84.4Confident8 Ų832.5 Ų32.54%0.04119%0.192CC..  trans-102.9130.3-174.8-77.2179.2000110L50 P92 W96 C99L50-I94 HydrophobicContact CD1-CD1 3.48Å; L50-I94 VanDerWaalsContact CD1-CD1 3.48Å; L50-I94 HydrophobicContact CD2-CD1 4.14Å; L50-I94 HydrophobicContact CG-CD1 4.46Å; P92-I94 HydrophobicContact CB-CD1 4.33Å; P92-I94 HydrophobicContact CB-CG1 4.06Å; P92-I94 HydrophobicContact CG-CD1 3.62Å; P92-I94 HydrophobicContact CG-CG1 3.91Å; P92-I94 PolarHBondContact O-N 2.96Å; I94-W96 HydrophobicContact CG2-CD2 4.07Å; I94-W96 HydrophobicContact CG2-CE3 3.99Å; I94-W96 HydrophobicContact CG2-CZ3 4.25Å; I94-W96 PolarHBondContact O-N 2.79Å; I94-C99 HydrophobicContact CG2-CB 4.39Å; I94-C99 WeakPolarHBondContact CG2-SG 3.22Å
95N80.8Confident84.2Confident95 Ų9537.8 Ų37.851%0.50821%0.212SC..  trans-72.3107.5156.9-175.8-11.2000108.9A97 T98N95-A97 PolarHBondContact O-N 2.81Å; N95-A97 WeakPolarHBondContact OD1-CB 3.37Å; N95-A97 PolarHBondContact OD1-N 2.63Å; N95-T98 HydrophobicContact CB-CG2 4.28Å; N95-T98 PolarHBondContact O-N 2.88Å; N95-T98 VanDerWaalsContact O-N 3.1Å; N95-T98 PolarHBondContact O-OG1 2.97Å
96W82.5Confident84Confident5 Ų537 Ų372%0.01921%0.211CC..G310 helixtrans-60.4-27.6-178.5-62.9104.5000113.1I94 T98 C99 V104 F107 M197 Y206I94-W96 HydrophobicContact CG2-CD2 4.07Å; I94-W96 HydrophobicContact CG2-CE3 3.99Å; I94-W96 HydrophobicContact CG2-CZ3 4.25Å; I94-W96 PolarHBondContact O-N 2.79Å; W96-T98 VanDerWaalsContact C-N 3.29Å; W96-T98 PolarHBondContact O-N 3.24Å; W96-C99 PolarHBondContact O-N 3.1Å; W96-V104 HydrophobicContact CE3-CG2 4.23Å; W96-V104 WeakPolarHBondContact O-CG2 3.49Å; W96-F107 HydrophobicContact CH2-CB 3.92Å; W96-F107 AromaticContact CH2-CD1 3.4Å; W96-F107 HydrophobicContact CH2-CD1 3.4Å; W96-F107 HydrophobicContact CH2-CD2 4.2Å; W96-F107 AromaticContact CH2-CE1 3.86Å; W96-F107 HydrophobicContact CH2-CE1 3.86Å; W96-F107 AromaticContact CH2-CG 3.57Å; W96-F107 HydrophobicContact CH2-CG 3.57Å; W96-F107 HydrophobicContact CH2-CZ 4.43Å; W96-F107 HydrophobicContact CZ2-CD1 4.3Å; W96-F107 HydrophobicContact CZ3-CB 3.83Å; W96-F107 HydrophobicContact CZ3-CD1 4.08Å; W96-F107 HydrophobicContact CZ3-CD2 4.11Å; W96-F107 AromaticContact CZ3-CG 3.74Å; W96-F107 HydrophobicContact CZ3-CG 3.74Å; W96-M197 HydrophobicContact CB-CB 4.37Å; W96-M197 HydrophobicContact CD2-CB 4.21Å; W96-M197 HydrophobicContact CD2-CE 3.55Å; W96-M197 HydrophobicContact CD2-CG 4.44Å; W96-M197 HydrophobicContact CE3-CE 3.73Å; W96-M197 HydrophobicContact CG-CB 3.81Å; W96-M197 HydrophobicContact CG-CE 4.33Å; W96-M197 HydrophobicContact CG-CG 4.4Å; W96-M197 HydrophobicContact CH2-CE 3.58Å; W96-M197 HydrophobicContact CZ2-CE 3.37Å; W96-M197 HydrophobicContact CZ3-CE 3.74Å; W96-Y206 WeakPolarHBondContact CZ2-OH 3.45Å
97A77.9Confident83.8Confident65 Ų6536.8 Ų36.854%0.53721%0.209SC..G310 helixtrans-70.3-22.4178.300000113.4N95N95-A97 PolarHBondContact O-N 2.81Å; N95-A97 WeakPolarHBondContact OD1-CB 3.37Å; N95-A97 PolarHBondContact OD1-N 2.63Å
98T80.5Confident83.8Confident109 Ų10934 Ų3467%0.66920%0.199SC*.G310 helixtrans-95.1-4.7177.665.30000113.2N95 W96N95-T98 HydrophobicContact CB-CG2 4.28Å; N95-T98 PolarHBondContact O-N 2.88Å; N95-T98 VanDerWaalsContact O-N 3.1Å; N95-T98 PolarHBondContact O-OG1 2.97Å; W96-T98 VanDerWaalsContact C-N 3.29Å; W96-T98 PolarHBondContact O-N 3.24Å
99C82.5Confident83.9Confident19 Ų1936.7 Ų36.713%0.12821%0.211CC..SBendtrans-85.7157.5179.7-79.70000113I94 W96 V104I94-C99 HydrophobicContact CG2-CB 4.39Å; I94-C99 WeakPolarHBondContact CG2-SG 3.22Å; W96-C99 PolarHBondContact O-N 3.1Å; C99-V104 HydrophobicContact CB-CG2 3.79Å
100D83.7Confident84.1Confident40 Ų4038.1 Ų38.121%0.21422%0.218CC..  trans-641421736484.1000111.3F46 R47 A102 T103 V104F46-D100 WeakPolarHBondContact CA-OD1 3.33Å; R47-D100 PolarHBondContact N-OD2 2.97Å; R47-D100 VanDerWaalsContact N-OD2 3.15Å; D100-A102 PolarHBondContact O-N 3.47Å; D100-A102 VanDerWaalsContact O-N 3.12Å; D100-A102 PolarHBondContact OD1-N 2.87Å; D100-T103 PolarHBondContact O-N 3.02Å; D100-T103 VanDerWaalsContact O-N 3.1Å; D100-T103 WeakPolarHBondContact OD1-CB 3.46Å; D100-T103 PolarHBondContact OD1-N 3.3Å; D100-T103 PolarHBondContact OD1-OG1 3.16Å; D100-T103 PolarHBondContact OD2-OG1 3.22Å; D100-V104 WeakPolarHBondContact O-CG2 3.06Å; D100-V104 PolarHBondContact O-N 3.2Å; D100-V104 VanDerWaalsContact O-N 3.13Å
101A84.2Confident84.4Confident62 Ų6238 Ų3851%0.51222%0.217SC..Hα-helixtrans-59.3-28.5-175.300000113.2R105A101-R105 VanDerWaalsContact O-CB 3.31Å; A101-R105 WeakPolarHBondContact O-CB 3.5Å; A101-R105 WeakPolarHBondContact O-CG 3.33Å; A101-R105 PolarHBondContact O-N 2.92Å
102A85.4Confident84.7Confident23 Ų2339.9 Ų39.919%0.1922%0.224CC..Hα-helixtrans-66.7-4817700000111D100 R105 L106D100-A102 PolarHBondContact O-N 3.47Å; D100-A102 VanDerWaalsContact O-N 3.12Å; D100-A102 PolarHBondContact OD1-N 2.87Å; A102-R105 PolarHBondContact O-N 3.18Å; A102-L106 WeakPolarHBondContact O-CB 3Å; A102-L106 VanDerWaalsContact O-CG 3.25Å; A102-L106 WeakPolarHBondContact O-CG 3.46Å; A102-L106 PolarHBondContact O-N 3.29Å
103T85.3Confident85.3Confident0 Ų045.3 Ų45.30%025%0.248CC..Hα-helixtrans-59.9-50.8177-61.90000110.9F46 R47 L50 F51 D100 R105 L106 F107F46-T103 WeakPolarHBondContact CA-OG1 3.45Å; F46-T103 WeakPolarHBondContact CB-OG1 3.49Å; R47-T103 HydrophobicContact CB-CG2 4.26Å; R47-T103 PolarHBondContact N-OG1 2.96Å; L50-T103 HydrophobicContact CD1-CG2 3.73Å; F51-T103 HydrophobicContact CE2-CG2 4.22Å; F51-T103 HydrophobicContact CZ-CG2 4.22Å; D100-T103 PolarHBondContact O-N 3.02Å; D100-T103 VanDerWaalsContact O-N 3.1Å; D100-T103 WeakPolarHBondContact OD1-CB 3.46Å; D100-T103 PolarHBondContact OD1-N 3.3Å; D100-T103 PolarHBondContact OD1-OG1 3.16Å; D100-T103 PolarHBondContact OD2-OG1 3.22Å; T103-R105 VanDerWaalsContact C-N 3.31Å; T103-R105 PolarHBondContact O-N 2.84Å; T103-L106 PolarHBondContact O-N 2.88Å; T103-L106 VanDerWaalsContact O-N 3.17Å; T103-F107 HydrophobicContact CG2-CD2 3.86Å; T103-F107 HydrophobicContact CG2-CE2 3.99Å; T103-F107 WeakPolarHBondContact O-CD2 3.36Å; T103-F107 PolarHBondContact O-N 2.79Å
104V88.3Confident85.8Confident18 Ų1841.8 Ų41.811%0.10923%0.228CC..Hα-helixtrans-56.2-47.6179-1790000110.3W96 C99 D100 F107 Y108 I193 M197W96-V104 HydrophobicContact CE3-CG2 4.23Å; W96-V104 WeakPolarHBondContact O-CG2 3.49Å; C99-V104 HydrophobicContact CB-CG2 3.79Å; D100-V104 WeakPolarHBondContact O-CG2 3.06Å; D100-V104 PolarHBondContact O-N 3.2Å; D100-V104 VanDerWaalsContact O-N 3.13Å; V104-F107 PolarHBondContact O-N 2.74Å; V104-Y108 VanDerWaalsContact O-CB 3.28Å; V104-Y108 WeakPolarHBondContact O-CB 3.5Å; V104-Y108 PolarHBondContact O-N 2.82Å; V104-I193 HydrophobicContact CG1-CG2 3.55Å; V104-M197 HydrophobicContact CG1-CG 4.35Å
105R88.9Confident86.6Confident112 Ų11241.9 Ų41.942%0.42323%0.229SC..Hα-helixtrans-63.6-44.2178.1-74.2172.9180175.10.1111.9A101 A102 T103 Y108 H109 E190 I193A101-R105 VanDerWaalsContact O-CB 3.31Å; A101-R105 WeakPolarHBondContact O-CB 3.5Å; A101-R105 WeakPolarHBondContact O-CG 3.33Å; A101-R105 PolarHBondContact O-N 2.92Å; A102-R105 PolarHBondContact O-N 3.18Å; T103-R105 VanDerWaalsContact C-N 3.31Å; T103-R105 PolarHBondContact O-N 2.84Å; R105-Y108 WeakPolarHBondContact O-CB 3.43Å; R105-Y108 PolarHBondContact O-N 3.28Å; R105-H109 PolarHBondContact O-N 3.47Å; R105-H109 PolarHBondContact O-ND1 3.33Å; R105-E190 IonicContact NH2-OE1 3.55Å; R105-E190 PolarHBondContact NH2-OE1 2.97Å; R105-I193 HydrophobicContact CG-CD1 4.07Å
106L89.1Confident86.9Confident23 Ų2340.4 Ų40.412%0.1223%0.23CC..Hα-helixtrans-64.1-41.5-179.9-70.3172.8000112.2V17 T18 F46 F51 A102 T103 H109 H110V17-L106 HydrophobicContact CG1-CD1 4.38Å; V17-L106 HydrophobicContact CG1-CD2 3.52Å; T18-L106 HydrophobicContact CG2-CD2 3.66Å; F46-L106 HydrophobicContact CB-CD1 4.35Å; F46-L106 HydrophobicContact CD1-CD1 4.43Å; F46-L106 HydrophobicContact CG-CD1 4.49Å; F51-L106 HydrophobicContact CE1-CB 3.66Å; F51-L106 HydrophobicContact CE1-CD1 3.72Å; F51-L106 HydrophobicContact CE1-CG 4.33Å; F51-L106 HydrophobicContact CZ-CB 3.89Å; F51-L106 HydrophobicContact CZ-CD1 3.75Å; F51-L106 HydrophobicContact CZ-CG 4.48Å; A102-L106 WeakPolarHBondContact O-CB 3Å; A102-L106 VanDerWaalsContact O-CG 3.25Å; A102-L106 WeakPolarHBondContact O-CG 3.46Å; A102-L106 PolarHBondContact O-N 3.29Å; T103-L106 PolarHBondContact O-N 2.88Å; T103-L106 VanDerWaalsContact O-N 3.17Å; L106-H109 PolarHBondContact O-N 3.28Å; L106-H110 WeakPolarHBondContact O-CB 3.29Å; L106-H110 PolarHBondContact O-N 3.18Å; L106-H110 VanDerWaalsContact O-N 3.11Å
107F90Very high87Confident0 Ų045.6 Ų45.60%026%0.257CS..Hα-helixtrans-63.5-45.8173.7-92.7-98.3000112.1L50 F51 P88 R90 F91 W96 T103 V104 H109 H110 L111 M197L50-F107 HydrophobicContact CB-CE2 3.75Å; L50-F107 HydrophobicContact CB-CZ 3.84Å; L50-F107 HydrophobicContact CD1-CE2 3.85Å; L50-F107 HydrophobicContact CD1-CZ 4.12Å; L50-F107 HydrophobicContact CG-CE2 4.46Å; F51-F107 HydrophobicContact CE1-CD2 4.28Å; F51-F107 HydrophobicContact CE1-CE2 4.16Å; F51-F107 HydrophobicContact CE2-CE2 4.14Å; F51-F107 AromaticContact CZ-CD2 3.9Å; F51-F107 HydrophobicContact CZ-CD2 3.9Å; F51-F107 AromaticContact CZ-CE2 3.76Å; F51-F107 HydrophobicContact CZ-CE2 3.76Å; P88-F107 HydrophobicContact CB-CD1 3.96Å; P88-F107 HydrophobicContact CB-CD2 4.24Å; P88-F107 HydrophobicContact CB-CE1 3.67Å; P88-F107 HydrophobicContact CB-CE2 3.95Å; P88-F107 HydrophobicContact CB-CG 4.25Å; P88-F107 HydrophobicContact CB-CZ 3.67Å; P88-F107 HydrophobicContact CG-CD1 4.21Å; P88-F107 HydrophobicContact CG-CD2 3.94Å; P88-F107 HydrophobicContact CG-CE1 4.34Å; P88-F107 HydrophobicContact CG-CE2 4.06Å; P88-F107 HydrophobicContact CG-CG 4.03Å; P88-F107 HydrophobicContact CG-CZ 4.27Å; R90-F107 WeakPolarHBondContact O-CZ 3.3Å; F91-F107 HydrophobicContact CD1-CD1 4.17Å; F91-F107 AromaticContact CD1-CE1 3.72Å; F91-F107 HydrophobicContact CD1-CE1 3.72Å; F91-F107 HydrophobicContact CE1-CD1 4.12Å; F91-F107 AromaticContact CE1-CE1 3.9Å; F91-F107 HydrophobicContact CE1-CE1 3.9Å; F91-F107 HydrophobicContact CG-CE1 4.37Å; W96-F107 HydrophobicContact CH2-CB 3.92Å; W96-F107 AromaticContact CH2-CD1 3.4Å; W96-F107 HydrophobicContact CH2-CD1 3.4Å; W96-F107 HydrophobicContact CH2-CD2 4.2Å; W96-F107 AromaticContact CH2-CE1 3.86Å; W96-F107 HydrophobicContact CH2-CE1 3.86Å; W96-F107 AromaticContact CH2-CG 3.57Å; W96-F107 HydrophobicContact CH2-CG 3.57Å; W96-F107 HydrophobicContact CH2-CZ 4.43Å; W96-F107 HydrophobicContact CZ2-CD1 4.3Å; W96-F107 HydrophobicContact CZ3-CB 3.83Å; W96-F107 HydrophobicContact CZ3-CD1 4.08Å; W96-F107 HydrophobicContact CZ3-CD2 4.11Å; W96-F107 AromaticContact CZ3-CG 3.74Å; W96-F107 HydrophobicContact CZ3-CG 3.74Å; T103-F107 HydrophobicContact CG2-CD2 3.86Å; T103-F107 HydrophobicContact CG2-CE2 3.99Å; T103-F107 WeakPolarHBondContact O-CD2 3.36Å; T103-F107 PolarHBondContact O-N 2.79Å; V104-F107 PolarHBondContact O-N 2.74Å; F107-H109 VanDerWaalsContact C-N 3.33Å; F107-H109 PolarHBondContact O-N 3Å; F107-H110 WeakPolarHBondContact O-CB 3.36Å; F107-H110 PolarHBondContact O-N 3.48Å; F107-L111 WeakPolarHBondContact O-CB 3.32Å; F107-L111 WeakPolarHBondContact O-CG 3.47Å; F107-L111 PolarHBondContact O-N 2.99Å; F107-M197 HydrophobicContact CB-CE 3.76Å
108Y91.8Very high87.3Confident4 Ų443.3 Ų43.32%0.01624%0.24CC..Hα-helixtrans-53.4-48.6175.4171.7-105.3000112.5V104 R105 H110 L111 R112 S137 I193 Y196 M197V104-Y108 VanDerWaalsContact O-CB 3.28Å; V104-Y108 WeakPolarHBondContact O-CB 3.5Å; V104-Y108 PolarHBondContact O-N 2.82Å; R105-Y108 WeakPolarHBondContact O-CB 3.43Å; R105-Y108 PolarHBondContact O-N 3.28Å; Y108-H110 VanDerWaalsContact C-N 3.3Å; Y108-H110 PolarHBondContact O-N 2.89Å; Y108-L111 PolarHBondContact O-N 2.96Å; Y108-R112 VanDerWaalsContact CE1-CD 3.43Å; Y108-R112 HydrophobicContact CE2-CG 4.2Å; Y108-R112 WeakPolarHBondContact O-CG 3.32Å; Y108-R112 PolarHBondContact O-N 3.08Å; Y108-R112 WeakPolarHBondContact OH-CD 3.43Å; Y108-S137 PolarHBondContact OH-OG 3.33Å; Y108-I193 HydrophobicContact CD1-CD1 4.37Å; Y108-I193 HydrophobicContact CD1-CG1 4.03Å; Y108-I193 HydrophobicContact CD2-CB 4.47Å; Y108-I193 HydrophobicContact CD2-CG1 4.24Å; Y108-I193 HydrophobicContact CD2-CG2 4.18Å; Y108-I193 HydrophobicContact CE1-CG1 4.13Å; Y108-I193 HydrophobicContact CE2-CG1 4.33Å; Y108-I193 HydrophobicContact CG-CG1 4.08Å; Y108-I193 HydrophobicContact CG-CG2 4.05Å; Y108-Y196 AromaticContact CD2-CD1 3.61Å; Y108-Y196 HydrophobicContact CD2-CD1 3.61Å; Y108-Y196 HydrophobicContact CD2-CE1 4.23Å; Y108-Y196 AromaticContact CD2-CG 3.87Å; Y108-Y196 HydrophobicContact CD2-CG 3.87Å; Y108-Y196 AromaticContact CE2-CD1 3.65Å; Y108-Y196 HydrophobicContact CE2-CD1 3.65Å; Y108-Y196 AromaticContact CE2-CD2 3.86Å; Y108-Y196 HydrophobicContact CE2-CD2 3.86Å; Y108-Y196 HydrophobicContact CE2-CE1 4.21Å; Y108-Y196 HydrophobicContact CE2-CE2 4.39Å; Y108-Y196 AromaticContact CE2-CG 3.47Å; Y108-Y196 HydrophobicContact CE2-CG 3.47Å; Y108-Y196 VanDerWaalsContact CE2-CG 3.47Å; Y108-M197 VanDerWaalsContact CA-SD 3.57Å; Y108-M197 HydrophobicContact CD2-SD 4.37Å
109H90.6Very high87.4Confident63 Ų6341.2 Ų41.229%0.29223%0.229SC..Hα-helixtrans-64.3-34.7177.6-7387.9000112.9T18 R105 L106 F107T18-H109 HydrophobicContact CG2-CB 3.64Å; R105-H109 PolarHBondContact O-N 3.47Å; R105-H109 PolarHBondContact O-ND1 3.33Å; L106-H109 PolarHBondContact O-N 3.28Å; F107-H109 VanDerWaalsContact C-N 3.33Å; F107-H109 PolarHBondContact O-N 3Å
110H90.4Very high87.5Confident30 Ų3040.5 Ų40.514%0.13923%0.225CC..Hα-helixtrans-71.1-48.7177.9-177.274000111.7P88 F91 L106 F107 Y108 R112 K113 I114P88-H110 HydrophobicContact CB-CB 4.4Å; P88-H110 HydrophobicContact CG-CB 3.65Å; P88-H110 PolarHBondContact O-NE2 3.14Å; F91-H110 AromaticContact CZ-CD2 3.78Å; F91-H110 AromaticContact CZ-NE2 3.75Å; L106-H110 WeakPolarHBondContact O-CB 3.29Å; L106-H110 PolarHBondContact O-N 3.18Å; L106-H110 VanDerWaalsContact O-N 3.11Å; F107-H110 WeakPolarHBondContact O-CB 3.36Å; F107-H110 PolarHBondContact O-N 3.48Å; Y108-H110 VanDerWaalsContact C-N 3.3Å; Y108-H110 PolarHBondContact O-N 2.89Å; H110-R112 VanDerWaalsContact C-N 3.32Å; H110-R112 PolarHBondContact O-N 3.35Å; H110-K113 WeakPolarHBondContact O-CB 3.39Å; H110-K113 PolarHBondContact O-N 2.74Å; H110-I114 VanDerWaalsContact CD2-CD1 3.49Å; H110-I114 WeakPolarHBondContact CD2-CD1 3.41Å; H110-I114 VanDerWaalsContact NE2-CD1 3.25Å; H110-I114 WeakPolarHBondContact NE2-CD1 3.2Å; H110-I114 PolarHBondContact O-N 3.05Å
111L91Very high87.6Confident1 Ų141.3 Ų41.31%0.00523%0.229CC..Hα-helixtrans-63-35.8-179.9-72.2174.8000112.6F91 F107 Y108 K113 I114 V115 Y196 M197 V200 Y206F91-L111 HydrophobicContact CE1-CD2 3.84Å; F107-L111 WeakPolarHBondContact O-CB 3.32Å; F107-L111 WeakPolarHBondContact O-CG 3.47Å; F107-L111 PolarHBondContact O-N 2.99Å; Y108-L111 PolarHBondContact O-N 2.96Å; L111-K113 PolarHBondContact O-N 2.69Å; L111-I114 HydrophobicContact CD2-CD1 4.29Å; L111-I114 PolarHBondContact O-N 3.36Å; L111-I114 VanDerWaalsContact O-N 3.15Å; L111-V115 WeakPolarHBondContact O-CB 3.31Å; L111-V115 VanDerWaalsContact O-CG2 3.31Å; L111-V115 WeakPolarHBondContact O-CG2 3.11Å; L111-V115 PolarHBondContact O-N 3.35Å; L111-Y196 HydrophobicContact CB-CE1 4.32Å; L111-M197 HydrophobicContact CD1-CE 3.43Å; L111-M197 VanDerWaalsContact CD1-CE 3.43Å; L111-M197 HydrophobicContact CD1-SD 3.72Å; L111-V200 HydrophobicContact CB-CG1 4.48Å; L111-V200 HydrophobicContact CD1-CB 4.49Å; L111-V200 HydrophobicContact CD1-CG1 4.01Å; L111-V200 HydrophobicContact CD2-CG1 4.1Å; L111-V200 HydrophobicContact CG-CG1 4.44Å; L111-Y206 HydrophobicContact CD1-CE2 3.92Å; L111-Y206 HydrophobicContact CD2-CD2 4.18Å; L111-Y206 HydrophobicContact CD2-CE2 3.7Å; L111-Y206 HydrophobicContact CG-CE2 4.48Å
112R90.6Very high87.8Confident48 Ų4839.4 Ų39.418%0.18121%0.209CC..Hα-helixtrans-53.8-40.8171.1-79.1171.953.5-158.3-6.1113.2Y108 H110 A116 E134 Y196Y108-R112 VanDerWaalsContact CE1-CD 3.43Å; Y108-R112 HydrophobicContact CE2-CG 4.2Å; Y108-R112 WeakPolarHBondContact O-CG 3.32Å; Y108-R112 PolarHBondContact O-N 3.08Å; Y108-R112 WeakPolarHBondContact OH-CD 3.43Å; H110-R112 VanDerWaalsContact C-N 3.32Å; H110-R112 PolarHBondContact O-N 3.35Å; R112-A116 VanDerWaalsContact O-CB 3.31Å; R112-A116 WeakPolarHBondContact O-CB 3.31Å; R112-A116 PolarHBondContact O-N 2.89Å; R112-E134 IonicContact CZ-OE1 2.91Å; R112-E134 IonicContact NE-OE1 2.87Å; R112-E134 PolarHBondContact NE-OE1 3.43Å; R112-E134 IonicContact NH2-OE1 2.71Å; R112-E134 PolarHBondContact NH2-OE1 2.9Å; R112-Y196 WeakPolarHBondContact CA-OH 3.29Å; R112-Y196 HydrophobicContact CG-CE1 4.12Å; R112-Y196 HydrophobicContact CG-CE2 4.26Å
113K88Confident88.1Confident118 Ų11842.5 Ų42.551%0.51323%0.226SC..Hα-helixtrans-69.4-43.3177.4-63.8-178.6-179.9-174.90111.2H110 L111 A116 I117H110-K113 WeakPolarHBondContact O-CB 3.39Å; H110-K113 PolarHBondContact O-N 2.74Å; L111-K113 PolarHBondContact O-N 2.69Å; K113-A116 PolarHBondContact O-N 3.46Å; K113-I117 WeakPolarHBondContact O-CD1 3.29Å; K113-I117 VanDerWaalsContact O-CG1 3.23Å; K113-I117 WeakPolarHBondContact O-CG1 3.42Å; K113-I117 PolarHBondContact O-N 3.37Å
114I86.6Confident88.4Confident34 Ų3444.1 Ų44.117%0.17424%0.235CC..Hα-helixtrans-61.5-46.9177.9-66.1177.3000111F91 H110 L111 A116 I117 G118 S119 I120F91-I114 HydrophobicContact CZ-CD1 4.25Å; H110-I114 VanDerWaalsContact CD2-CD1 3.49Å; H110-I114 WeakPolarHBondContact CD2-CD1 3.41Å; H110-I114 VanDerWaalsContact NE2-CD1 3.25Å; H110-I114 WeakPolarHBondContact NE2-CD1 3.2Å; H110-I114 PolarHBondContact O-N 3.05Å; L111-I114 HydrophobicContact CD2-CD1 4.29Å; L111-I114 PolarHBondContact O-N 3.36Å; L111-I114 VanDerWaalsContact O-N 3.15Å; I114-A116 VanDerWaalsContact C-N 3.34Å; I114-A116 PolarHBondContact O-N 3.32Å; I114-I117 PolarHBondContact O-N 3.24Å; I114-G118 PolarHBondContact O-N 3.42Å; I114-G118 VanDerWaalsContact O-N 3.15Å; I114-S119 PolarHBondContact O-N 2.84Å; I114-I120 HydrophobicContact CG2-CD1 3.69Å; I114-I120 HydrophobicContact CG2-CG1 3.78Å
115V89.8Confident88.7Confident10 Ų1049.4 Ų49.46%0.06126%0.262CS..Hα-helixtrans-60.9-44177.3169.50000110.8L111 I117 G118 I120 M122 L130 V200L111-V115 WeakPolarHBondContact O-CB 3.31Å; L111-V115 VanDerWaalsContact O-CG2 3.31Å; L111-V115 WeakPolarHBondContact O-CG2 3.11Å; L111-V115 PolarHBondContact O-N 3.35Å; V115-I117 VanDerWaalsContact C-N 3.33Å; V115-I117 PolarHBondContact O-N 2.88Å; V115-G118 PolarHBondContact O-N 2.84Å; V115-G118 VanDerWaalsContact O-N 3.11Å; V115-I120 HydrophobicContact CG2-CD1 4.22Å; V115-M122 HydrophobicContact CB-CE 4.36Å; V115-M122 HydrophobicContact CG1-CE 3.79Å; V115-M122 HydrophobicContact CG1-SD 4.09Å; V115-M122 HydrophobicContact CG2-CE 4.07Å; V115-L130 HydrophobicContact CG1-CD1 4.22Å; V115-L130 HydrophobicContact CG2-CD1 4.49Å; V115-V200 HydrophobicContact CG2-CG1 4.45Å; V115-V200 HydrophobicContact CG2-CG2 4.22Å
116A87.2Confident88.9Confident65 Ų6545.8 Ų45.854%0.53725%0.253SS..Hα-helixtrans-63.9-36177.900000113.2R112 K113 I114 G118R112-A116 VanDerWaalsContact O-CB 3.31Å; R112-A116 WeakPolarHBondContact O-CB 3.31Å; R112-A116 PolarHBondContact O-N 2.89Å; K113-A116 PolarHBondContact O-N 3.46Å; I114-A116 VanDerWaalsContact C-N 3.34Å; I114-A116 PolarHBondContact O-N 3.32Å; A116-G118 PolarHBondContact O-N 2.87Å
117I86.1Confident89.2Confident114 Ų11444.9 Ų44.959%0.58525%0.248SC*.Hα-helixtrans-68.8-24.7175.5-67.2163000111.3K113 I114 V115 A160K113-I117 WeakPolarHBondContact O-CD1 3.29Å; K113-I117 VanDerWaalsContact O-CG1 3.23Å; K113-I117 WeakPolarHBondContact O-CG1 3.42Å; K113-I117 PolarHBondContact O-N 3.37Å; I114-I117 PolarHBondContact O-N 3.24Å; V115-I117 VanDerWaalsContact C-N 3.33Å; V115-I117 PolarHBondContact O-N 2.88Å; I117-A160 WeakPolarHBondContact O-CB 3.25Å
118G84.4Confident89.4Confident16 Ų1645.4 Ų45.417%0.16525%0.252CS..THydrogen-bonded Turntrans86.624.9-179.800000113.9I114 V115 A116 I120I114-G118 PolarHBondContact O-N 3.42Å; I114-G118 VanDerWaalsContact O-N 3.15Å; V115-G118 PolarHBondContact O-N 2.84Å; V115-G118 VanDerWaalsContact O-N 3.11Å; A116-G118 PolarHBondContact O-N 2.87Å; G118-I120 VanDerWaalsContact C-N 3.33Å
119S82.2Confident89.6Confident65 Ų6547 Ų4746%0.45526%0.261SS..  trans-80.8-8.8179.6-50.70000114.6I114I114-S119 PolarHBondContact O-N 2.84Å
120I84.8Confident89.9Confident5 Ų544.1 Ų44.13%0.02625%0.247CC..SBendtrans-113.8123.9178.4-67172.5000107.3I114 V115 G118 M122 Q161 V200 L203 P204 Y206I114-I120 HydrophobicContact CG2-CD1 3.69Å; I114-I120 HydrophobicContact CG2-CG1 3.78Å; V115-I120 HydrophobicContact CG2-CD1 4.22Å; G118-I120 VanDerWaalsContact C-N 3.33Å; I120-M122 HydrophobicContact CB-CE 3.99Å; I120-M122 HydrophobicContact CG2-CE 3.93Å; I120-M122 VanDerWaalsContact O-CE 3.25Å; I120-M122 WeakPolarHBondContact O-CE 3.39Å; I120-M122 PolarHBondContact O-N 3.01Å; I120-Q161 PolarHBondContact O-NE2 2.9Å; I120-Q161 PolarHBondContact O-OE1 2.77Å; I120-V200 HydrophobicContact CD1-CG1 3.89Å; I120-L203 HydrophobicContact CG2-CB 3.47Å; I120-L203 VanDerWaalsContact CG2-CB 3.47Å; I120-L203 HydrophobicContact CG2-CD1 3.75Å; I120-L203 HydrophobicContact CG2-CG 4.25Å; I120-P204 WeakPolarHBondContact CG2-O 3.3Å; I120-Y206 HydrophobicContact CD1-CD2 4.37Å
121D84.3Confident90.1Very high57 Ų5744.2 Ų44.231%0.30525%0.247SC..  trans-68.4133.6-178.7-65.4-9.8000110.7Q161 P204 K205D121-Q161 VanDerWaalsContact CA-OE1 3.26Å; D121-P204 HydrophobicContact CB-CB 4.34Å; D121-K205 IonicContact OD1-NZ 2.85Å; D121-K205 PolarHBondContact OD1-NZ 2.88Å; D121-K205 WeakPolarHBondContact OD2-CD 3.48Å; D121-K205 WeakPolarHBondContact OD2-CE 3.47Å; D121-K205 IonicContact OD2-NZ 3.13Å; D121-K205 PolarHBondContact OD2-NZ 2.94Å
122M89.6Confident90.3Very high21 Ų2144.2 Ų44.210%0.10325%0.247CC..  trans-156.615617762.6-169.373.700113.5V115 I120 V126 A127 L130 Q161 L203V115-M122 HydrophobicContact CB-CE 4.36Å; V115-M122 HydrophobicContact CG1-CE 3.79Å; V115-M122 HydrophobicContact CG1-SD 4.09Å; V115-M122 HydrophobicContact CG2-CE 4.07Å; I120-M122 HydrophobicContact CB-CE 3.99Å; I120-M122 HydrophobicContact CG2-CE 3.93Å; I120-M122 VanDerWaalsContact O-CE 3.25Å; I120-M122 WeakPolarHBondContact O-CE 3.39Å; I120-M122 PolarHBondContact O-N 3.01Å; M122-V126 HydrophobicContact CB-CB 4.23Å; M122-V126 HydrophobicContact CB-CG1 3.96Å; M122-V126 HydrophobicContact SD-CG1 4.45Å; M122-A127 HydrophobicContact CG-CB 4.18Å; M122-A127 HydrophobicContact SD-CB 3.83Å; M122-L130 HydrophobicContact CE-CD1 4.32Å; M122-L130 HydrophobicContact SD-CD1 4.01Å; M122-Q161 VanDerWaalsContact N-OE1 3.15Å; M122-L203 HydrophobicContact CB-CD1 4.26Å; M122-L203 HydrophobicContact CE-CD1 3.83Å
123T91.5Very high90.5Very high88 Ų8841.9 Ų41.954%0.5424%0.238SC..  trans-76.1158.9171.668.20000111.2N125 V126 A127T123-N125 VanDerWaalsContact C-N 3.27Å; T123-N125 PolarHBondContact O-N 3.47Å; T123-V126 PolarHBondContact O-N 2.84Å; T123-V126 VanDerWaalsContact O-N 3.16Å; T123-V126 WeakPolarHBondContact OG1-CG2 3.48Å; T123-V126 PolarHBondContact OG1-N 3.12Å; T123-A127 PolarHBondContact O-N 2.9Å
124L91.8Very high90.8Very high35 Ų3537.5 Ų37.518%0.18322%0.219CC..Hα-helixtrans-54.9-42175.7173.159.9000112.7V126 A127 V128 L162 I168 W173 L176L124-V126 VanDerWaalsContact C-N 3.33Å; L124-V126 PolarHBondContact O-N 2.84Å; L124-A127 PolarHBondContact O-N 2.82Å; L124-V128 HydrophobicContact CD1-CG2 3.87Å; L124-V128 HydrophobicContact CG-CG2 4.37Å; L124-V128 WeakPolarHBondContact O-CB 3.49Å; L124-V128 WeakPolarHBondContact O-CG2 3.43Å; L124-V128 PolarHBondContact O-N 3.04Å; L124-L162 HydrophobicContact CB-CD1 4.49Å; L124-L162 HydrophobicContact CD1-CD1 4.12Å; L124-I168 HydrophobicContact CD1-CB 4.48Å; L124-I168 HydrophobicContact CD1-CD1 3.3Å; L124-I168 HydrophobicContact CD1-CG1 4.49Å; L124-I168 HydrophobicContact CD1-CG2 4.49Å; L124-I168 HydrophobicContact CD2-CD1 3.88Å; L124-I168 HydrophobicContact CG-CD1 4.21Å; L124-W173 HydrophobicContact CD1-CE3 4.34Å; L124-W173 HydrophobicContact CD1-CZ3 4.43Å; L124-L176 HydrophobicContact CD2-CD1 4.11Å; L124-L176 HydrophobicContact CG-CD1 4.48Å
125N93.3Very high91Very high128 Ų12835.9 Ų35.968%0.68421%0.211SC*.Hα-helixtrans-62.4-41.3-179.9-71.9-11.7000111.8T123 N129T123-N125 VanDerWaalsContact C-N 3.27Å; T123-N125 PolarHBondContact O-N 3.47Å; N125-N129 WeakPolarHBondContact O-CB 3.35Å; N125-N129 PolarHBondContact O-N 3.28Å
126V94.7Very high91.2Very high37 Ų3735.9 Ų35.922%0.22421%0.211CC..Hα-helixtrans-64.3-47.2175.2170.60000110.4M122 T123 L124 V128 N129 L130 T199 L203M122-V126 HydrophobicContact CB-CB 4.23Å; M122-V126 HydrophobicContact CB-CG1 3.96Å; M122-V126 HydrophobicContact SD-CG1 4.45Å; T123-V126 PolarHBondContact O-N 2.84Å; T123-V126 VanDerWaalsContact O-N 3.16Å; T123-V126 WeakPolarHBondContact OG1-CG2 3.48Å; T123-V126 PolarHBondContact OG1-N 3.12Å; L124-V126 VanDerWaalsContact C-N 3.33Å; L124-V126 PolarHBondContact O-N 2.84Å; V126-V128 PolarHBondContact O-N 3.31Å; V126-N129 PolarHBondContact O-N 3.27Å; V126-L130 HydrophobicContact CG1-CD1 4Å; V126-L130 HydrophobicContact CG1-CG 4.29Å; V126-L130 WeakPolarHBondContact O-CB 3.23Å; V126-L130 WeakPolarHBondContact O-CG 3.44Å; V126-L130 PolarHBondContact O-N 3.2Å; V126-T199 HydrophobicContact CG1-CG2 4.35Å; V126-L203 HydrophobicContact CG1-CD1 4.05Å; V126-L203 HydrophobicContact CG1-CD2 3.74Å
127A94.2Very high91.4Very high3 Ų333.7 Ų33.73%0.02519%0.191CC..Hα-helixtrans-60-44.5179.500000112.3M122 T123 L124 L130 K131 P159 L162 W173M122-A127 HydrophobicContact CG-CB 4.18Å; M122-A127 HydrophobicContact SD-CB 3.83Å; T123-A127 PolarHBondContact O-N 2.9Å; L124-A127 PolarHBondContact O-N 2.82Å; A127-L130 PolarHBondContact O-N 3.32Å; A127-K131 WeakPolarHBondContact O-CB 3.37Å; A127-K131 PolarHBondContact O-N 2.79Å; A127-P159 HydrophobicContact CB-CG 4.15Å; A127-L162 HydrophobicContact CB-CD1 3.57Å; A127-W173 HydrophobicContact CB-CH2 4.28Å; A127-W173 HydrophobicContact CB-CZ3 4.1Å
128V94.6Very high91.4Very high12 Ų1231.6 Ų31.67%0.07318%0.179CC..Hα-helixtrans-60.2-47.1175.3165.10000110.9L124 V126 K131 A132 W173 L176 A180L124-V128 HydrophobicContact CD1-CG2 3.87Å; L124-V128 HydrophobicContact CG-CG2 4.37Å; L124-V128 WeakPolarHBondContact O-CB 3.49Å; L124-V128 WeakPolarHBondContact O-CG2 3.43Å; L124-V128 PolarHBondContact O-N 3.04Å; V126-V128 PolarHBondContact O-N 3.31Å; V128-K131 PolarHBondContact O-N 3.1Å; V128-A132 WeakPolarHBondContact O-CB 3.37Å; V128-A132 PolarHBondContact O-N 3.08Å; V128-W173 HydrophobicContact CB-CZ3 4.49Å; V128-W173 HydrophobicContact CG2-CE3 3.93Å; V128-W173 HydrophobicContact CG2-CZ3 3.71Å; V128-L176 HydrophobicContact CG1-CB 3.95Å; V128-L176 HydrophobicContact CG2-CB 3.73Å; V128-L176 HydrophobicContact CG2-CD1 4.14Å; V128-A180 HydrophobicContact CG1-CB 3.63Å
129N96.1Very high91.5Very high38 Ų3834.5 Ų34.520%0.20319%0.186CC..Hα-helixtrans-64.7-42.8179.7-179.664.5000112N125 V126 K131 A132 I133 K184N125-N129 WeakPolarHBondContact O-CB 3.35Å; N125-N129 PolarHBondContact O-N 3.28Å; V126-N129 PolarHBondContact O-N 3.27Å; N129-K131 VanDerWaalsContact C-N 3.33Å; N129-K131 PolarHBondContact O-N 3.2Å; N129-A132 PolarHBondContact O-N 2.71Å; N129-I133 WeakPolarHBondContact O-CD1 3.43Å; N129-I133 VanDerWaalsContact O-CG1 3.24Å; N129-I133 WeakPolarHBondContact O-CG1 3.29Å; N129-I133 PolarHBondContact O-N 2.9Å; N129-K184 WeakPolarHBondContact OD1-CE 3.31Å; N129-K184 PolarHBondContact OD1-NZ 3.42Å
130L96.7Very high91.8Very high2 Ų232.8 Ų32.81%0.0118%0.178CC..Hα-helixtrans-60.3-43.2174.1-73.8177.8000111.5V115 M122 V126 A127 I133 E134 Y196 T199 V200 L203V115-L130 HydrophobicContact CG1-CD1 4.22Å; V115-L130 HydrophobicContact CG2-CD1 4.49Å; M122-L130 HydrophobicContact CE-CD1 4.32Å; M122-L130 HydrophobicContact SD-CD1 4.01Å; V126-L130 HydrophobicContact CG1-CD1 4Å; V126-L130 HydrophobicContact CG1-CG 4.29Å; V126-L130 WeakPolarHBondContact O-CB 3.23Å; V126-L130 WeakPolarHBondContact O-CG 3.44Å; V126-L130 PolarHBondContact O-N 3.2Å; A127-L130 PolarHBondContact O-N 3.32Å; L130-I133 PolarHBondContact O-N 3.11Å; L130-E134 PolarHBondContact O-N 3.43Å; L130-Y196 HydrophobicContact CB-CD2 4.4Å; L130-Y196 HydrophobicContact CB-CE2 3.91Å; L130-Y196 HydrophobicContact CD2-CD2 3.79Å; L130-Y196 HydrophobicContact CD2-CE2 3.86Å; L130-Y196 HydrophobicContact CD2-CG 4.14Å; L130-Y196 HydrophobicContact CG-CE2 4.41Å; L130-Y196 WeakPolarHBondContact O-CE2 3.31Å; L130-T199 HydrophobicContact CD2-CG2 3.74Å; L130-T199 HydrophobicContact CG-CG2 4.26Å; L130-V200 HydrophobicContact CD1-CG2 3.86Å; L130-V200 HydrophobicContact CD2-CG2 3.64Å; L130-V200 HydrophobicContact CG-CG2 4.43Å; L130-L203 HydrophobicContact CD1-CD1 4.13Å
131K94.5Very high91.9Very high32 Ų3235.8 Ų35.814%0.13919%0.194CC..Hα-helixtrans-66.3-40.6178.1-171.767.5-173.1-177.20112.2A127 V128 N129 I133 E134 M135 A154 F155 W173 V177A127-K131 WeakPolarHBondContact O-CB 3.37Å; A127-K131 PolarHBondContact O-N 2.79Å; V128-K131 PolarHBondContact O-N 3.1Å; N129-K131 VanDerWaalsContact C-N 3.33Å; N129-K131 PolarHBondContact O-N 3.2Å; K131-I133 VanDerWaalsContact C-N 3.34Å; K131-I133 PolarHBondContact O-N 3.13Å; K131-E134 WeakPolarHBondContact CD-OE2 3.24Å; K131-E134 WeakPolarHBondContact CE-OE2 3.41Å; K131-E134 IonicContact NZ-OE1 3.7Å; K131-E134 IonicContact NZ-OE2 3.85Å; K131-E134 PolarHBondContact NZ-OE2 2.93Å; K131-E134 WeakPolarHBondContact O-CB 3.47Å; K131-E134 PolarHBondContact O-N 3.03Å; K131-M135 HydrophobicContact CD-CE 4.36Å; K131-M135 WeakPolarHBondContact O-CG 3.46Å; K131-M135 PolarHBondContact O-N 3.44Å; K131-A154 PolarHBondContact NZ-O 2.64Å; K131-F155 WeakPolarHBondContact CE-O 3.34Å; K131-W173 HydrophobicContact CB-CH2 3.73Å; K131-W173 HydrophobicContact CB-CZ2 3.75Å; K131-W173 HydrophobicContact CD-CZ2 4.07Å; K131-W173 HydrophobicContact CG-CH2 4.13Å; K131-W173 HydrophobicContact CG-CZ2 3.59Å; K131-V177 HydrophobicContact CB-CG1 4.22Å; K131-V177 HydrophobicContact CB-CG2 3.94Å; K131-V177 HydrophobicContact CG-CB 4.42Å; K131-V177 HydrophobicContact CG-CG1 3.65Å; K131-V177 HydrophobicContact CG-CG2 3.81Å
132A94.7Very high91.9Very high0 Ų034.3 Ų34.30%019%0.188CC..Hα-helixtrans-60.2-43.3174.400000112.1V128 N129 E134 M135 Q136 A180 W181 K184V128-A132 WeakPolarHBondContact O-CB 3.37Å; V128-A132 PolarHBondContact O-N 3.08Å; N129-A132 PolarHBondContact O-N 2.71Å; A132-E134 VanDerWaalsContact C-N 3.33Å; A132-M135 PolarHBondContact O-N 3.26Å; A132-Q136 PolarHBondContact O-N 3.08Å; A132-A180 VanDerWaalsContact CB-C 3.5Å; A132-A180 HydrophobicContact CB-CB 3.7Å; A132-W181 HydrophobicContact CB-CB 4.14Å; A132-K184 HydrophobicContact CB-CG 4.31Å
133I95.9Very high91.3Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-63.2-41.3174.1-65.7162.7000110.8N129 L130 K131 M135 Q136 S137 A192 K195 Y196N129-I133 WeakPolarHBondContact O-CD1 3.43Å; N129-I133 VanDerWaalsContact O-CG1 3.24Å; N129-I133 WeakPolarHBondContact O-CG1 3.29Å; N129-I133 PolarHBondContact O-N 2.9Å; L130-I133 PolarHBondContact O-N 3.11Å; K131-I133 VanDerWaalsContact C-N 3.34Å; K131-I133 PolarHBondContact O-N 3.13Å; I133-M135 VanDerWaalsContact C-N 3.34Å; I133-M135 PolarHBondContact O-N 3.44Å; I133-Q136 PolarHBondContact O-N 3.03Å; I133-S137 PolarHBondContact O-N 3.44Å; I133-A192 HydrophobicContact CG2-CB 3.98Å; I133-A192 WeakPolarHBondContact CG2-O 3.49Å; I133-K195 HydrophobicContact CD1-CB 4.41Å; I133-K195 HydrophobicContact CD1-CD 4.04Å; I133-K195 HydrophobicContact CD1-CG 3.87Å; I133-Y196 HydrophobicContact CB-CD2 4.29Å; I133-Y196 HydrophobicContact CG2-CD2 4.08Å; I133-Y196 HydrophobicContact CG2-CG 4.46Å
134E93.6Very high90.3Very high25 Ų2539.8 Ų39.812%0.11722%0.218CC..Hα-helixtrans-58.5-44.5174179.7-174.7-167.100111.6R112 L130 K131 A132 S137 Q138 Y196R112-E134 IonicContact CZ-OE1 2.91Å; R112-E134 IonicContact NE-OE1 2.87Å; R112-E134 PolarHBondContact NE-OE1 3.43Å; R112-E134 IonicContact NH2-OE1 2.71Å; R112-E134 PolarHBondContact NH2-OE1 2.9Å; L130-E134 PolarHBondContact O-N 3.43Å; K131-E134 WeakPolarHBondContact CD-OE2 3.24Å; K131-E134 WeakPolarHBondContact CE-OE2 3.41Å; K131-E134 IonicContact NZ-OE1 3.7Å; K131-E134 IonicContact NZ-OE2 3.85Å; K131-E134 PolarHBondContact NZ-OE2 2.93Å; K131-E134 WeakPolarHBondContact O-CB 3.47Å; K131-E134 PolarHBondContact O-N 3.03Å; A132-E134 VanDerWaalsContact C-N 3.33Å; E134-S137 PolarHBondContact O-N 3Å; E134-S137 PolarHBondContact O-OG 3.5Å; E134-Q138 PolarHBondContact O-N 3.04Å; E134-Q138 PolarHBondContact OE1-NE2 3.44Å; E134-Y196 HydrophobicContact CB-CE2 4.47Å
135M91.2Very high89Confident1 Ų141.4 Ų41.41%0.00524%0.237CC..Hα-helixtrans-63.9-45177.3-64.3-5788.500111.8K131 A132 I133 S137 Q138 Y139 A154 F155 V177 W181K131-M135 HydrophobicContact CD-CE 4.36Å; K131-M135 WeakPolarHBondContact O-CG 3.46Å; K131-M135 PolarHBondContact O-N 3.44Å; A132-M135 PolarHBondContact O-N 3.26Å; I133-M135 VanDerWaalsContact C-N 3.34Å; I133-M135 PolarHBondContact O-N 3.44Å; M135-S137 VanDerWaalsContact C-N 3.3Å; M135-S137 PolarHBondContact O-N 3.26Å; M135-Q138 PolarHBondContact O-N 3.47Å; M135-Q138 VanDerWaalsContact O-N 3.16Å; M135-Y139 HydrophobicContact CB-CD2 4.45Å; M135-Y139 HydrophobicContact CE-CE2 4.04Å; M135-Y139 WeakPolarHBondContact O-CD2 3.49Å; M135-Y139 PolarHBondContact O-N 3.47Å; M135-Y139 HydrophobicContact SD-CD2 3.98Å; M135-Y139 HydrophobicContact SD-CE2 3.74Å; M135-A154 HydrophobicContact SD-CB 4.32Å; M135-F155 HydrophobicContact CG-CD1 3.83Å; M135-F155 HydrophobicContact CG-CE1 3.81Å; M135-F155 HydrophobicContact SD-CD1 3.6Å; M135-F155 VanDerWaalsContact SD-CD1 3.6Å; M135-F155 HydrophobicContact SD-CE1 3.91Å; M135-V177 HydrophobicContact CG-CG1 4.28Å; M135-W181 HydrophobicContact CB-CD2 3.69Å; M135-W181 HydrophobicContact CB-CE3 4.17Å; M135-W181 HydrophobicContact CB-CG 3.85Å; M135-W181 HydrophobicContact CB-CZ2 4.33Å
136Q93.1Very high87.4Confident9 Ų936 Ų364%0.04221%0.208CC..Hα-helixtrans-57.7-43.6176.2-174.963.921.500111.8A132 I133 Q138 G140 N141 W181 K184 M187A132-Q136 PolarHBondContact O-N 3.08Å; I133-Q136 PolarHBondContact O-N 3.03Å; Q136-Q138 VanDerWaalsContact C-N 3.31Å; Q136-Q138 PolarHBondContact O-N 2.83Å; Q136-G140 VanDerWaalsContact O-CA 3.24Å; Q136-G140 WeakPolarHBondContact O-CA 3.41Å; Q136-G140 PolarHBondContact O-N 2.86Å; Q136-G140 PolarHBondContact OE1-O 2.95Å; Q136-N141 PolarHBondContact NE2-OD1 2.86Å; Q136-W181 VanDerWaalsContact OE1-NE1 3.1Å; Q136-K184 HydrophobicContact CB-CB 4.1Å; Q136-K184 VanDerWaalsContact CD-O 3.28Å; Q136-K184 HydrophobicContact CG-CB 4.04Å; Q136-K184 PolarHBondContact NE2-O 3.23Å; Q136-M187 HydrophobicContact CG-CB 4.05Å; Q136-M187 PolarHBondContact NE2-O 3.13Å
137S91.6Very high85.5Confident19 Ų1942.6 Ų42.613%0.13323%0.228CC..Hα-helixtrans-66.7-28.4179.476.50000114.1Y108 I133 E134 M135 L189Y108-S137 PolarHBondContact OH-OG 3.33Å; I133-S137 PolarHBondContact O-N 3.44Å; E134-S137 PolarHBondContact O-N 3Å; E134-S137 PolarHBondContact O-OG 3.5Å; M135-S137 VanDerWaalsContact C-N 3.3Å; M135-S137 PolarHBondContact O-N 3.26Å; S137-L189 WeakPolarHBondContact O-CD1 3.38Å
138Q86.5Confident83.6Confident71 Ų7148 Ų4833%0.33226%0.262SS..Hα-helixtrans-95.5-36.6-174.7-80.9172.656.100113.1E134 M135 Q136E134-Q138 PolarHBondContact O-N 3.04Å; E134-Q138 PolarHBondContact OE1-NE2 3.44Å; M135-Q138 PolarHBondContact O-N 3.47Å; M135-Q138 VanDerWaalsContact O-N 3.16Å; Q136-Q138 VanDerWaalsContact C-N 3.31Å; Q136-Q138 PolarHBondContact O-N 2.83Å
139Y86.6Confident81.6Confident77 Ų7757.5 Ų57.530%0.30230%0.296SS..Hα-helixtrans-118.8-8.4-169.1-57.2-71.2000113M135 A154 P354M135-Y139 HydrophobicContact CB-CD2 4.45Å; M135-Y139 HydrophobicContact CE-CE2 4.04Å; M135-Y139 WeakPolarHBondContact O-CD2 3.49Å; M135-Y139 PolarHBondContact O-N 3.47Å; M135-Y139 HydrophobicContact SD-CD2 3.98Å; M135-Y139 HydrophobicContact SD-CE2 3.74Å; Y139-A154 HydrophobicContact CE2-CB 3.94Å; Y139-A154 WeakPolarHBondContact OH-CB 3.2Å; Y139-P354 HydrophobicContact CE1-CG 4.48Å
140G88.3Confident79.7Confident28 Ų2857.8 Ų57.829%0.28931%0.308SS..  trans72.5-151.3-172.500000111.9Q136 W181Q136-G140 VanDerWaalsContact O-CA 3.24Å; Q136-G140 WeakPolarHBondContact O-CA 3.41Å; Q136-G140 PolarHBondContact O-N 2.86Å; Q136-G140 PolarHBondContact OE1-O 2.95Å; G140-W181 VanDerWaalsContact O-CZ2 3.23Å; G140-W181 WeakPolarHBondContact O-CZ2 3.41Å; G140-W181 PolarHBondContact O-NE1 2.87Å
141N88.2Confident77.7Confident68 Ų6859.6 Ų59.636%0.36432%0.316SS..SBendtrans-63143.4-176-67.4-12.5000112.4Q136 H143 A185 G186Q136-N141 PolarHBondContact NE2-OD1 2.86Å; N141-H143 PolarHBondContact O-CD2 3.13Å; N141-H143 VanDerWaalsContact O-CD2 3.26Å; N141-H143 PolarHBondContact O-N 3.16Å; N141-A185 WeakPolarHBondContact OD1-CA 3.3Å; N141-G186 PolarHBondContact OD1-N 2.98Å
142C82.7Confident76Confident26 Ų2661.3 Ų61.318%0.17632%0.323CS..  trans-64.6125.3170.9-172.60000110.5Y178 W181 A182C142-Y178 WeakPolarHBondContact SG-CE2 3.46Å; C142-W181 HydrophobicContact CB-CD2 3.75Å; C142-W181 HydrophobicContact CB-CE3 3.93Å; C142-W181 HydrophobicContact CB-CG 4.17Å; C142-W181 HydrophobicContact CB-CH2 4.5Å; C142-W181 HydrophobicContact CB-CZ2 4.3Å; C142-W181 HydrophobicContact CB-CZ3 4.31Å; C142-A182 HydrophobicContact CB-CB 4.46Å
143H77.4Confident74.4Confident121 Ų12168 Ų6856%0.5636%0.357SS*.  trans-109.6138.9174.6-66.8-73.6000110.7N141 A145 I146N141-H143 PolarHBondContact O-CD2 3.13Å; N141-H143 VanDerWaalsContact O-CD2 3.26Å; N141-H143 PolarHBondContact O-N 3.16Å; H143-A145 PolarHBondContact O-N 2.89Å; H143-A145 VanDerWaalsContact O-N 3.13Å; H143-I146 HydrophobicContact CB-CD1 3.9Å; H143-I146 HydrophobicContact CB-CG1 4.02Å; H143-I146 VanDerWaalsContact N-CD1 3.34Å; H143-I146 WeakPolarHBondContact O-CB 3.21Å; H143-I146 WeakPolarHBondContact O-CG1 3.35Å; H143-I146 PolarHBondContact O-N 2.88Å
144S69.7Low73.1Confident103 Ų10369.4 Ų69.472%0.7237%0.369SS*.G310 helixtrans-57.8-31.4-179.356.60000114.1I146 R147S144-I146 PolarHBondContact O-N 3.19Å; S144-I146 VanDerWaalsContact O-N 3.09Å; S144-R147 WeakPolarHBondContact O-CB 3.49Å; S144-R147 PolarHBondContact O-N 3.15Å
145A65.4Low72.3Confident69 Ų6968.3 Ų68.357%0.5736%0.364SS*.G310 helixtrans-60.4-18.8176.300000113.8H143 R147 T148H143-A145 PolarHBondContact O-N 2.89Å; H143-A145 VanDerWaalsContact O-N 3.13Å; A145-R147 VanDerWaalsContact C-N 3.3Å; A145-R147 PolarHBondContact O-N 3.03Å; A145-T148 PolarHBondContact O-N 3.28Å; A145-T148 PolarHBondContact O-OG1 2.82Å
146I59.4Low71.9Confident16 Ų1669.7 Ų69.78%0.08238%0.379CS..G310 helixtrans-67.8-30.1179.9-66.4178.7000112H143 S144 T148 R149 Q151 W181H143-I146 HydrophobicContact CB-CD1 3.9Å; H143-I146 HydrophobicContact CB-CG1 4.02Å; H143-I146 VanDerWaalsContact N-CD1 3.34Å; H143-I146 WeakPolarHBondContact O-CB 3.21Å; H143-I146 WeakPolarHBondContact O-CG1 3.35Å; H143-I146 PolarHBondContact O-N 2.88Å; S144-I146 PolarHBondContact O-N 3.19Å; S144-I146 VanDerWaalsContact O-N 3.09Å; I146-T148 PolarHBondContact O-N 3.48Å; I146-R149 PolarHBondContact O-N 3.37Å; I146-Q151 VanDerWaalsContact CD1-OE1 3.3Å; I146-Q151 HydrophobicContact CG2-CB 3.68Å; I146-Q151 HydrophobicContact CG2-CG 4.18Å; I146-W181 HydrophobicContact CD1-CH2 3.64Å; I146-W181 HydrophobicContact CD1-CZ3 4.12Å; I146-W181 HydrophobicContact CG2-CZ3 4.26Å
147R55.7Low71.5Confident174 Ų17473.8 Ų73.866%0.65741%0.408SS*.G310 helixtrans-56.6-22.1-179.8-143.6-179.465126.8-3.9113S144 A145 Y152S144-R147 WeakPolarHBondContact O-CB 3.49Å; S144-R147 PolarHBondContact O-N 3.15Å; A145-R147 VanDerWaalsContact C-N 3.3Å; A145-R147 PolarHBondContact O-N 3.03Å; R147-Y152 HydrophobicContact CG-CE2 4.17Å; R147-Y152 WeakPolarHBondContact CG-OH 3.23Å; R147-Y152 VanDerWaalsContact O-CE2 3.31Å; R147-Y152 WeakPolarHBondContact O-CE2 3.46Å
148T54.8Low71.3Confident118 Ų11873.4 Ų73.472%0.72441%0.405SS*.G310 helixtrans-101.2-12.8-169.96.50000115.3A145 I146A145-T148 PolarHBondContact O-N 3.28Å; A145-T148 PolarHBondContact O-OG1 2.82Å; I146-T148 PolarHBondContact O-N 3.48Å
149R51.9Low71.2Confident211 Ų21170.3 Ų70.380%0.79639%0.392SS*.THydrogen-bonded Turntrans-130.551.2-163.4-77.2-171.8174.3171.70115.9I146 Q151I146-R149 PolarHBondContact O-N 3.37Å; R149-Q151 PolarHBondContact O-N 3.39Å
150G54.9Low71.1Confident44 Ų4469.2 Ų69.245%0.45440%0.398SS..THydrogen-bonded Turntrans66.90.8165.700000116.3Y152 L153G150-Y152 PolarHBondContact O-N 3.07Å; G150-L153 WeakPolarHBondContact O-CB 3.37Å; G150-L153 WeakPolarHBondContact O-CG 3.45Å; G150-L153 PolarHBondContact O-N 2.68Å
151Q56.4Low70.7Confident39 Ų3970.8 Ų70.818%0.18240%0.398CS..G310 helixtrans-68.7-14.9176.1-67.3-1718.400113I146 R149 L153 A154I146-Q151 VanDerWaalsContact CD1-OE1 3.3Å; I146-Q151 HydrophobicContact CG2-CB 3.68Å; I146-Q151 HydrophobicContact CG2-CG 4.18Å; R149-Q151 PolarHBondContact O-N 3.39Å; Q151-L153 PolarHBondContact O-N 3.07Å; Q151-L153 VanDerWaalsContact O-N 3.08Å; Q151-A154 VanDerWaalsContact O-CB 3.24Å; Q151-A154 WeakPolarHBondContact O-CB 3.28Å; Q151-A154 PolarHBondContact O-N 2.76Å
152Y58Low70.4Confident69 Ų6968 Ų6827%0.27138%0.383SS..G310 helixtrans-53.6-23.7163.6-73.7-68.1000113R147 G150 A154 F155 K174R147-Y152 HydrophobicContact CG-CE2 4.17Å; R147-Y152 WeakPolarHBondContact CG-OH 3.23Å; R147-Y152 VanDerWaalsContact O-CE2 3.31Å; R147-Y152 WeakPolarHBondContact O-CE2 3.46Å; G150-Y152 PolarHBondContact O-N 3.07Å; Y152-A154 VanDerWaalsContact C-N 3.28Å; Y152-A154 PolarHBondContact O-N 2.92Å; Y152-F155 AromaticContact CD1-CD2 3.68Å; Y152-F155 HydrophobicContact CD1-CD2 3.68Å; Y152-F155 AromaticContact CD1-CE2 3.39Å; Y152-F155 HydrophobicContact CD1-CE2 3.39Å; Y152-F155 HydrophobicContact CD1-CZ 4.46Å; Y152-F155 HydrophobicContact CE1-CD2 4.39Å; Y152-F155 AromaticContact CE1-CE2 3.73Å; Y152-F155 HydrophobicContact CE1-CE2 3.73Å; Y152-F155 HydrophobicContact CG-CE2 4.4Å; Y152-F155 WeakPolarHBondContact O-CB 3.45Å; Y152-F155 PolarHBondContact O-N 3.19Å; Y152-K174 HydrophobicContact CD1-CB 4.06Å; Y152-K174 HydrophobicContact CD1-CD 4.48Å; Y152-K174 HydrophobicContact CD1-CG 4.49Å; Y152-K174 VanDerWaalsContact O-CE 3.3Å; Y152-K174 WeakPolarHBondContact O-CE 3.21Å
153L60.3Low69.8Low139 Ų13970.3 Ų70.373%0.72840%0.397SS*.G310 helixtrans-68.1-26.7172.8-60.2173.1000112.4G150 Q151 F155 G156G150-L153 WeakPolarHBondContact O-CB 3.37Å; G150-L153 WeakPolarHBondContact O-CG 3.45Å; G150-L153 PolarHBondContact O-N 2.68Å; Q151-L153 PolarHBondContact O-N 3.07Å; Q151-L153 VanDerWaalsContact O-N 3.08Å; L153-F155 VanDerWaalsContact C-N 3.26Å; L153-F155 PolarHBondContact O-N 2.87Å; L153-G156 PolarHBondContact O-N 2.88Å
154A69.5Low69.2Low30 Ų3068.3 Ų68.325%0.24841%0.408CS..G310 helixtrans-71.9-20.7176.800000113.1K131 M135 Y139 Q151 Y152 G156K131-A154 PolarHBondContact NZ-O 2.64Å; M135-A154 HydrophobicContact SD-CB 4.32Å; Y139-A154 HydrophobicContact CE2-CB 3.94Å; Y139-A154 WeakPolarHBondContact OH-CB 3.2Å; Q151-A154 VanDerWaalsContact O-CB 3.24Å; Q151-A154 WeakPolarHBondContact O-CB 3.28Å; Q151-A154 PolarHBondContact O-N 2.76Å; Y152-A154 VanDerWaalsContact C-N 3.28Å; Y152-A154 PolarHBondContact O-N 2.92Å; A154-G156 PolarHBondContact O-N 3.11Å
155F77.6Confident68.6Low2 Ų268.4 Ų68.41%0.00941%0.409CS..G310 helixtrans-67.5-20.3173-59.1-21.3000112K131 M135 Y152 L153 W173 K174 V177 Y178 W181K131-F155 WeakPolarHBondContact CE-O 3.34Å; M135-F155 HydrophobicContact CG-CD1 3.83Å; M135-F155 HydrophobicContact CG-CE1 3.81Å; M135-F155 HydrophobicContact SD-CD1 3.6Å; M135-F155 VanDerWaalsContact SD-CD1 3.6Å; M135-F155 HydrophobicContact SD-CE1 3.91Å; Y152-F155 AromaticContact CD1-CD2 3.68Å; Y152-F155 HydrophobicContact CD1-CD2 3.68Å; Y152-F155 AromaticContact CD1-CE2 3.39Å; Y152-F155 HydrophobicContact CD1-CE2 3.39Å; Y152-F155 HydrophobicContact CD1-CZ 4.46Å; Y152-F155 HydrophobicContact CE1-CD2 4.39Å; Y152-F155 AromaticContact CE1-CE2 3.73Å; Y152-F155 HydrophobicContact CE1-CE2 3.73Å; Y152-F155 HydrophobicContact CG-CE2 4.4Å; Y152-F155 WeakPolarHBondContact O-CB 3.45Å; Y152-F155 PolarHBondContact O-N 3.19Å; L153-F155 VanDerWaalsContact C-N 3.26Å; L153-F155 PolarHBondContact O-N 2.87Å; F155-W173 PolarHBondContact O-NE1 3.46Å; F155-K174 HydrophobicContact CB-CG 4.17Å; F155-K174 HydrophobicContact CD2-CB 3.9Å; F155-K174 HydrophobicContact CD2-CG 3.91Å; F155-V177 HydrophobicContact CD1-CG1 3.8Å; F155-V177 HydrophobicContact CD2-CG1 4.46Å; F155-V177 HydrophobicContact CE1-CG1 4.06Å; F155-V177 HydrophobicContact CG-CG1 4.04Å; F155-Y178 HydrophobicContact CZ-CD2 4.23Å; F155-W181 AromaticContact CE1-CE3 3.93Å; F155-W181 HydrophobicContact CE1-CE3 3.93Å; F155-W181 HydrophobicContact CE1-CZ3 4.09Å; F155-W181 HydrophobicContact CZ-CE3 4.03Å; F155-W181 HydrophobicContact CZ-CZ3 4.22Å
156G82.2Confident68.2Low31 Ų3173.1 Ų73.132%0.3243%0.425SS..  trans54.1-164-177.700000112.4L153 A154 W173L153-G156 PolarHBondContact O-N 2.88Å; A154-G156 PolarHBondContact O-N 3.11Å; G156-W173 PolarHBondContact O-NE1 2.94Å
157S85.6Confident68.5Low94 Ų9477.6 Ų77.666%0.65745%0.445SS*.PPolyproline II helixtrans-82.3155172.2-55.40000110.9
158P86Confident69.7Low11 Ų1170.4 Ų70.47%0.07142%0.42CS..PPolyproline II helixtrans-57.5156.1164.926.4-34.9000110.8A160 T163 I168 W173P158-A160 PolarHBondContact O-N 3.39Å; P158-T163 HydrophobicContact CG-CG2 3.65Å; P158-I168 HydrophobicContact CB-CG2 4.11Å; P158-I168 HydrophobicContact CG-CG2 4.01Å; P158-W173 HydrophobicContact CB-CD2 3.81Å; P158-W173 HydrophobicContact CB-CE3 3.87Å; P158-W173 HydrophobicContact CB-CG 4.14Å; P158-W173 HydrophobicContact CB-CZ3 4.28Å; P158-W173 HydrophobicContact CG-CG 4.38Å
159P85Confident71.2Confident7 Ų769.2 Ų69.25%0.04541%0.412CS..PPolyproline II helixtrans-48.7140.3171.3-28.635.4000112.1A127 Q161 L162A127-P159 HydrophobicContact CB-CG 4.15Å; P159-Q161 HydrophobicContact CB-CG 4.34Å; P159-Q161 PolarHBondContact O-N 3.05Å; P159-Q161 VanDerWaalsContact O-N 3.08Å; P159-L162 PolarHBondContact O-N 3.48Å
160A83.5Confident72.7Confident53 Ų5362.5 Ų62.544%0.43839%0.392SS..G310 helixtrans-54.8-34.9-171.200000113.9I117 P158 L162 T163I117-A160 WeakPolarHBondContact O-CB 3.25Å; P158-A160 PolarHBondContact O-N 3.39Å; A160-L162 PolarHBondContact O-N 3.35Å; A160-T163 PolarHBondContact O-N 2.89Å; A160-T163 PolarHBondContact O-OG1 3.25Å
161Q80.7Confident74.1Confident62 Ų6265.9 Ų65.929%0.2940%0.398SS..G310 helixtrans-61-23.1176.873.2-173.8-62.400114.5I120 D121 M122 P159I120-Q161 PolarHBondContact O-NE2 2.9Å; I120-Q161 PolarHBondContact O-OE1 2.77Å; D121-Q161 VanDerWaalsContact CA-OE1 3.26Å; M122-Q161 VanDerWaalsContact N-OE1 3.15Å; P159-Q161 HydrophobicContact CB-CG 4.34Å; P159-Q161 PolarHBondContact O-N 3.05Å; P159-Q161 VanDerWaalsContact O-N 3.08Å
162L81.5Confident75.6Confident8 Ų869 Ų694%0.04241%0.411CS..G310 helixtrans-93.9-1.2179.6-60.1179.9000112L124 A127 P159 A160 I168L124-L162 HydrophobicContact CB-CD1 4.49Å; L124-L162 HydrophobicContact CD1-CD1 4.12Å; A127-L162 HydrophobicContact CB-CD1 3.57Å; P159-L162 PolarHBondContact O-N 3.48Å; A160-L162 PolarHBondContact O-N 3.35Å; L162-I168 HydrophobicContact CB-CG2 4.37Å
163T70.8Confident77.2Confident76 Ų7665.9 Ų65.947%0.46640%0.398SS..SBendtrans-101.2135.917761.40000110.3P158 A160P158-T163 HydrophobicContact CG-CG2 3.65Å; A160-T163 PolarHBondContact O-N 2.89Å; A160-T163 PolarHBondContact O-OG1 3.25Å
164G64.5Low78.6Confident78 Ų7861.1 Ų61.180%0.80437%0.372SS*.SBendtrans147.5-55.8171.100000115.3
165S56.5Low79.5Confident105 Ų10567 Ų6773%0.73439%0.388SS*.SBendtrans-119.7-27.3-157.4-35.10000117.3
166D56.8Low80.2Confident168 Ų16870 Ų7090%0.89840%0.403SS*.SBendtrans172.9-2.8175.5-96.9-31.4000113.4
167Q66.9Low80.7Confident110 Ų11068.5 Ų68.551%0.51439%0.388SS..SBendtrans-76.4-42.6-161.3-60.2-169.26.900114.2
168I81.1Confident81Confident24 Ų2466.5 Ų66.512%0.12337%0.366CS..  trans-160.2128.3-175.3-166.3155.3000115L124 P158 L162 K172 W173 L176L124-I168 HydrophobicContact CD1-CB 4.48Å; L124-I168 HydrophobicContact CD1-CD1 3.3Å; L124-I168 HydrophobicContact CD1-CG1 4.49Å; L124-I168 HydrophobicContact CD1-CG2 4.49Å; L124-I168 HydrophobicContact CD2-CD1 3.88Å; L124-I168 HydrophobicContact CG-CD1 4.21Å; P158-I168 HydrophobicContact CB-CG2 4.11Å; P158-I168 HydrophobicContact CG-CG2 4.01Å; L162-I168 HydrophobicContact CB-CG2 4.37Å; I168-K172 HydrophobicContact CD1-CG 4.31Å; I168-K172 HydrophobicContact CG1-CB 3.99Å; I168-K172 HydrophobicContact CG1-CD 4.26Å; I168-K172 HydrophobicContact CG1-CG 4.09Å; I168-W173 VanDerWaalsContact CD1-CA 3.48Å; I168-W173 HydrophobicContact CD1-CB 3.78Å; I168-W173 HydrophobicContact CD1-CE3 4.13Å; I168-W173 HydrophobicContact CG1-CB 3.95Å; I168-L176 HydrophobicContact CD1-CD1 3.84Å
169T84.7Confident81.2Confident92 Ų9270.1 Ų70.156%0.56439%0.388SS*.  trans-79.4153.8167.264.30000110.8M171 K172 W173T169-M171 PolarHBondContact O-N 3.32Å; T169-K172 PolarHBondContact O-N 3.43Å; T169-K172 WeakPolarHBondContact OG1-CB 3.47Å; T169-K172 PolarHBondContact OG1-N 3.38Å; T169-K172 VanDerWaalsContact OG1-N 3.16Å; T169-W173 PolarHBondContact O-N 2.89Å
170D83.9Confident81.7Confident70 Ų7070.3 Ų70.337%0.37439%0.39SS..Hα-helixtrans-53.9-3817517859.4000112.2W173 K174D170-W173 WeakPolarHBondContact O-CB 3.49Å; D170-W173 PolarHBondContact O-N 3.45Å; D170-K174 WeakPolarHBondContact O-CB 3.42Å; D170-K174 WeakPolarHBondContact O-CG 3.34Å; D170-K174 PolarHBondContact O-N 2.88Å; D170-K174 VanDerWaalsContact OD1-CE 3.27Å; D170-K174 WeakPolarHBondContact OD1-CE 3.48Å; D170-K174 IonicContact OD1-NZ 2.64Å; D170-K174 WeakPolarHBondContact OD2-CE 3.45Å; D170-K174 IonicContact OD2-NZ 2.73Å; D170-K174 PolarHBondContact OD2-NZ 3.45Å
171M84.2Confident82.2Confident116 Ų11667.9 Ų67.957%0.57137%0.369SS*.Hα-helixtrans-65.7-44175.6-164.5-169.8-157.500112.5T169 K174 R175T169-M171 PolarHBondContact O-N 3.32Å; M171-K174 PolarHBondContact O-N 3.15Å; M171-R175 WeakPolarHBondContact O-CG 3.29Å; M171-R175 PolarHBondContact O-N 3.03Å
172K88.8Confident82.8Confident104 Ų10467.2 Ų67.245%0.45237%0.374SS..Hα-helixtrans-65.5-41.5177.4-177.3178.7179.2-172.40110.7I168 T169 R175 L176I168-K172 HydrophobicContact CD1-CG 4.31Å; I168-K172 HydrophobicContact CG1-CB 3.99Å; I168-K172 HydrophobicContact CG1-CD 4.26Å; I168-K172 HydrophobicContact CG1-CG 4.09Å; T169-K172 PolarHBondContact O-N 3.43Å; T169-K172 WeakPolarHBondContact OG1-CB 3.47Å; T169-K172 PolarHBondContact OG1-N 3.38Å; T169-K172 VanDerWaalsContact OG1-N 3.16Å; K172-R175 PolarHBondContact O-N 2.99Å; K172-L176 HydrophobicContact CG-CD1 4.2Å; K172-L176 HydrophobicContact CG-CG 4.49Å; K172-L176 WeakPolarHBondContact O-CG 3.46Å; K172-L176 PolarHBondContact O-N 2.77Å
173W91.1Very high83.4Confident4 Ų473.3 Ų73.32%0.01540%0.403CS..Hα-helixtrans-54.2-55.3172.4168.9-111.8000111.7L124 A127 V128 K131 F155 G156 P158 I168 T169 D170 R175 L176 V177L124-W173 HydrophobicContact CD1-CE3 4.34Å; L124-W173 HydrophobicContact CD1-CZ3 4.43Å; A127-W173 HydrophobicContact CB-CH2 4.28Å; A127-W173 HydrophobicContact CB-CZ3 4.1Å; V128-W173 HydrophobicContact CB-CZ3 4.49Å; V128-W173 HydrophobicContact CG2-CE3 3.93Å; V128-W173 HydrophobicContact CG2-CZ3 3.71Å; K131-W173 HydrophobicContact CB-CH2 3.73Å; K131-W173 HydrophobicContact CB-CZ2 3.75Å; K131-W173 HydrophobicContact CD-CZ2 4.07Å; K131-W173 HydrophobicContact CG-CH2 4.13Å; K131-W173 HydrophobicContact CG-CZ2 3.59Å; F155-W173 PolarHBondContact O-NE1 3.46Å; G156-W173 PolarHBondContact O-NE1 2.94Å; P158-W173 HydrophobicContact CB-CD2 3.81Å; P158-W173 HydrophobicContact CB-CE3 3.87Å; P158-W173 HydrophobicContact CB-CG 4.14Å; P158-W173 HydrophobicContact CB-CZ3 4.28Å; P158-W173 HydrophobicContact CG-CG 4.38Å; I168-W173 VanDerWaalsContact CD1-CA 3.48Å; I168-W173 HydrophobicContact CD1-CB 3.78Å; I168-W173 HydrophobicContact CD1-CE3 4.13Å; I168-W173 HydrophobicContact CG1-CB 3.95Å; T169-W173 PolarHBondContact O-N 2.89Å; D170-W173 WeakPolarHBondContact O-CB 3.49Å; D170-W173 PolarHBondContact O-N 3.45Å; W173-R175 VanDerWaalsContact C-N 3.28Å; W173-R175 PolarHBondContact O-N 2.89Å; W173-L176 PolarHBondContact O-N 2.81Å; W173-V177 HydrophobicContact CD2-CG2 3.79Å; W173-V177 HydrophobicContact CE3-CG2 3.98Å; W173-V177 HydrophobicContact CG-CG2 4.45Å; W173-V177 HydrophobicContact CH2-CG2 4Å; W173-V177 HydrophobicContact CZ2-CG2 3.8Å; W173-V177 HydrophobicContact CZ3-CG2 4.08Å; W173-V177 WeakPolarHBondContact O-CG2 3.38Å; W173-V177 PolarHBondContact O-N 3.01Å
174K89.3Confident84.5Confident39 Ų3970.6 Ų70.617%0.1738%0.384CS..Hα-helixtrans-58.3-39.1179.8-72.1171.11731690112.7Y152 F155 D170 M171 Y178Y152-K174 HydrophobicContact CD1-CB 4.06Å; Y152-K174 HydrophobicContact CD1-CD 4.48Å; Y152-K174 HydrophobicContact CD1-CG 4.49Å; Y152-K174 VanDerWaalsContact O-CE 3.3Å; Y152-K174 WeakPolarHBondContact O-CE 3.21Å; F155-K174 HydrophobicContact CB-CG 4.17Å; F155-K174 HydrophobicContact CD2-CB 3.9Å; F155-K174 HydrophobicContact CD2-CG 3.91Å; D170-K174 WeakPolarHBondContact O-CB 3.42Å; D170-K174 WeakPolarHBondContact O-CG 3.34Å; D170-K174 PolarHBondContact O-N 2.88Å; D170-K174 VanDerWaalsContact OD1-CE 3.27Å; D170-K174 WeakPolarHBondContact OD1-CE 3.48Å; D170-K174 IonicContact OD1-NZ 2.64Å; D170-K174 WeakPolarHBondContact OD2-CE 3.45Å; D170-K174 IonicContact OD2-NZ 2.73Å; D170-K174 PolarHBondContact OD2-NZ 3.45Å; M171-K174 PolarHBondContact O-N 3.15Å; K174-Y178 VanDerWaalsContact O-CB 3.3Å; K174-Y178 WeakPolarHBondContact O-CB 3.49Å; K174-Y178 PolarHBondContact O-N 3.17Å
175R89.4Confident85.8Confident154 Ų15469.8 Ų69.858%0.58137%0.37SS*.Hα-helixtrans-65.5-49175.9-74.3176.1-179.5179.6-0.5111.9M171 K172 W173 Y178 V179M171-R175 WeakPolarHBondContact O-CG 3.29Å; M171-R175 PolarHBondContact O-N 3.03Å; K172-R175 PolarHBondContact O-N 2.99Å; W173-R175 VanDerWaalsContact C-N 3.28Å; W173-R175 PolarHBondContact O-N 2.89Å; R175-Y178 PolarHBondContact O-N 3.35Å; R175-V179 WeakPolarHBondContact O-CG2 3.42Å; R175-V179 PolarHBondContact O-N 3.36Å; R175-V179 VanDerWaalsContact O-N 3.09Å
176L92.4Very high87.6Confident63 Ų6367.6 Ų67.633%0.3336%0.364SS..Hα-helixtrans-62.5-44.5180-68.2175.1000111.7L124 V128 I168 K172 W173 Y178 V179 A180L124-L176 HydrophobicContact CD2-CD1 4.11Å; L124-L176 HydrophobicContact CG-CD1 4.48Å; V128-L176 HydrophobicContact CG1-CB 3.95Å; V128-L176 HydrophobicContact CG2-CB 3.73Å; V128-L176 HydrophobicContact CG2-CD1 4.14Å; I168-L176 HydrophobicContact CD1-CD1 3.84Å; K172-L176 HydrophobicContact CG-CD1 4.2Å; K172-L176 HydrophobicContact CG-CG 4.49Å; K172-L176 WeakPolarHBondContact O-CG 3.46Å; K172-L176 PolarHBondContact O-N 2.77Å; W173-L176 PolarHBondContact O-N 2.81Å; L176-Y178 VanDerWaalsContact C-N 3.34Å; L176-Y178 PolarHBondContact O-N 3.04Å; L176-V179 PolarHBondContact O-N 3.11Å; L176-A180 WeakPolarHBondContact O-CB 3.46Å; L176-A180 PolarHBondContact O-N 3.24Å
177V92.7Very high89.5Confident0 Ų061.1 Ų61.10%033%0.329CS..Hα-helixtrans-61.9-42.2176.9173.20000111.3K131 M135 F155 W173 A180 W181K131-V177 HydrophobicContact CB-CG1 4.22Å; K131-V177 HydrophobicContact CB-CG2 3.94Å; K131-V177 HydrophobicContact CG-CB 4.42Å; K131-V177 HydrophobicContact CG-CG1 3.65Å; K131-V177 HydrophobicContact CG-CG2 3.81Å; M135-V177 HydrophobicContact CG-CG1 4.28Å; F155-V177 HydrophobicContact CD1-CG1 3.8Å; F155-V177 HydrophobicContact CD2-CG1 4.46Å; F155-V177 HydrophobicContact CE1-CG1 4.06Å; F155-V177 HydrophobicContact CG-CG1 4.04Å; W173-V177 HydrophobicContact CD2-CG2 3.79Å; W173-V177 HydrophobicContact CE3-CG2 3.98Å; W173-V177 HydrophobicContact CG-CG2 4.45Å; W173-V177 HydrophobicContact CH2-CG2 4Å; W173-V177 HydrophobicContact CZ2-CG2 3.8Å; W173-V177 HydrophobicContact CZ3-CG2 4.08Å; W173-V177 WeakPolarHBondContact O-CG2 3.38Å; W173-V177 PolarHBondContact O-N 3.01Å; V177-A180 PolarHBondContact O-N 3.25Å; V177-W181 WeakPolarHBondContact O-CB 3.37Å; V177-W181 PolarHBondContact O-N 3.42Å
178Y90.3Very high90.8Very high53 Ų5359 Ų5921%0.20832%0.323CS..Hα-helixtrans-61.8-46.9178.5179.6-91.5000112.4C142 F155 K174 R175 L176 W181 A182C142-Y178 WeakPolarHBondContact SG-CE2 3.46Å; F155-Y178 HydrophobicContact CZ-CD2 4.23Å; K174-Y178 VanDerWaalsContact O-CB 3.3Å; K174-Y178 WeakPolarHBondContact O-CB 3.49Å; K174-Y178 PolarHBondContact O-N 3.17Å; R175-Y178 PolarHBondContact O-N 3.35Å; L176-Y178 VanDerWaalsContact C-N 3.34Å; L176-Y178 PolarHBondContact O-N 3.04Å; Y178-W181 PolarHBondContact O-N 3.13Å; Y178-A182 PolarHBondContact O-N 2.98Å
179V92.2Very high91.3Very high87 Ų8761.2 Ų61.253%0.52734%0.335SS..Hα-helixtrans-62-50.1177.7174.20000110.2R175 L176 W181 A182 E183R175-V179 WeakPolarHBondContact O-CG2 3.42Å; R175-V179 PolarHBondContact O-N 3.36Å; R175-V179 VanDerWaalsContact O-N 3.09Å; L176-V179 PolarHBondContact O-N 3.11Å; V179-W181 VanDerWaalsContact C-N 3.26Å; V179-W181 PolarHBondContact O-N 2.84Å; V179-A182 WeakPolarHBondContact O-CB 3.44Å; V179-A182 PolarHBondContact O-N 2.75Å; V179-E183 PolarHBondContact O-N 3.14Å
180A94.7Very high91.7Very high10 Ų1061.9 Ų61.98%0.08333%0.332CS..Hα-helixtrans-63.9-29.6179.400000113.2V128 A132 L176 V177 E183 K184V128-A180 HydrophobicContact CG1-CB 3.63Å; A132-A180 VanDerWaalsContact CB-C 3.5Å; A132-A180 HydrophobicContact CB-CB 3.7Å; L176-A180 WeakPolarHBondContact O-CB 3.46Å; L176-A180 PolarHBondContact O-N 3.24Å; V177-A180 PolarHBondContact O-N 3.25Å; A180-E183 WeakPolarHBondContact O-CB 3.11Å; A180-K184 WeakPolarHBondContact O-CE 3.46Å; A180-K184 WeakPolarHBondContact O-CG 3.38Å
181W93.7Very high92.2Very high2 Ų263.3 Ų63.31%0.00834%0.336CS..Hα-helixtrans-72.2-39.6175.1179.526.9000111.8A132 M135 Q136 G140 C142 I146 F155 V177 Y178 V179 E183 K184A132-W181 HydrophobicContact CB-CB 4.14Å; M135-W181 HydrophobicContact CB-CD2 3.69Å; M135-W181 HydrophobicContact CB-CE3 4.17Å; M135-W181 HydrophobicContact CB-CG 3.85Å; M135-W181 HydrophobicContact CB-CZ2 4.33Å; Q136-W181 VanDerWaalsContact OE1-NE1 3.1Å; G140-W181 VanDerWaalsContact O-CZ2 3.23Å; G140-W181 WeakPolarHBondContact O-CZ2 3.41Å; G140-W181 PolarHBondContact O-NE1 2.87Å; C142-W181 HydrophobicContact CB-CD2 3.75Å; C142-W181 HydrophobicContact CB-CE3 3.93Å; C142-W181 HydrophobicContact CB-CG 4.17Å; C142-W181 HydrophobicContact CB-CH2 4.5Å; C142-W181 HydrophobicContact CB-CZ2 4.3Å; C142-W181 HydrophobicContact CB-CZ3 4.31Å; I146-W181 HydrophobicContact CD1-CH2 3.64Å; I146-W181 HydrophobicContact CD1-CZ3 4.12Å; I146-W181 HydrophobicContact CG2-CZ3 4.26Å; F155-W181 AromaticContact CE1-CE3 3.93Å; F155-W181 HydrophobicContact CE1-CE3 3.93Å; F155-W181 HydrophobicContact CE1-CZ3 4.09Å; F155-W181 HydrophobicContact CZ-CE3 4.03Å; F155-W181 HydrophobicContact CZ-CZ3 4.22Å; V177-W181 WeakPolarHBondContact O-CB 3.37Å; V177-W181 PolarHBondContact O-N 3.42Å; Y178-W181 PolarHBondContact O-N 3.13Å; V179-W181 VanDerWaalsContact C-N 3.26Å; V179-W181 PolarHBondContact O-N 2.84Å; W181-E183 PolarHBondContact O-N 3.15Å; W181-K184 PolarHBondContact O-N 2.67Å
182A92.5Very high92.7Very high48 Ų4857.8 Ų57.840%0.39731%0.309SS..Hα-helixtrans-58.1-36.1173.600000111.9C142 Y178 V179 K184 A185C142-A182 HydrophobicContact CB-CB 4.46Å; Y178-A182 PolarHBondContact O-N 2.98Å; V179-A182 WeakPolarHBondContact O-CB 3.44Å; V179-A182 PolarHBondContact O-N 2.75Å; A182-K184 PolarHBondContact O-N 3.1Å; A182-A185 WeakPolarHBondContact O-CB 3.44Å; A182-A185 PolarHBondContact O-N 3.32Å
183E94.9Very high92.8Very high136 Ų13653.3 Ų53.364%0.63629%0.29SS*.THydrogen-bonded Turntrans-67.8-14.1173.9-62.2172.2177.100114.3V179 A180 W181V179-E183 PolarHBondContact O-N 3.14Å; A180-E183 WeakPolarHBondContact O-CB 3.11Å; W181-E183 PolarHBondContact O-N 3.15Å
184K94.2Very high92.9Very high19 Ų1957 Ų578%0.08331%0.308CS..THydrogen-bonded Turntrans-94.15.4178.4-51.5-38.3178-147.10112.8N129 A132 Q136 A180 W181 A182 G186 M187N129-K184 WeakPolarHBondContact OD1-CE 3.31Å; N129-K184 PolarHBondContact OD1-NZ 3.42Å; A132-K184 HydrophobicContact CB-CG 4.31Å; Q136-K184 HydrophobicContact CB-CB 4.1Å; Q136-K184 VanDerWaalsContact CD-O 3.28Å; Q136-K184 HydrophobicContact CG-CB 4.04Å; Q136-K184 PolarHBondContact NE2-O 3.23Å; A180-K184 WeakPolarHBondContact O-CE 3.46Å; A180-K184 WeakPolarHBondContact O-CG 3.38Å; W181-K184 PolarHBondContact O-N 2.67Å; A182-K184 PolarHBondContact O-N 3.1Å; K184-G186 PolarHBondContact O-N 2.67Å; K184-M187 HydrophobicContact CB-CE 4.28Å; K184-M187 HydrophobicContact CD-CE 4.1Å; K184-M187 HydrophobicContact CG-CE 4.47Å; K184-M187 WeakPolarHBondContact O-CB 3.25Å; K184-M187 PolarHBondContact O-N 3.48Å; K184-M187 VanDerWaalsContact O-N 3.14Å
185A92.6Very high93.1Very high62 Ų6259.2 Ų59.251%0.51232%0.317SS..THydrogen-bonded Turntrans-54.2137.5179.100000111.8N141 A182 M187N141-A185 WeakPolarHBondContact OD1-CA 3.3Å; A182-A185 WeakPolarHBondContact O-CB 3.44Å; A182-A185 PolarHBondContact O-N 3.32Å; A185-M187 VanDerWaalsContact C-N 3.29Å; A185-M187 PolarHBondContact O-N 3.12Å
186G93.8Very high93.4Very high58 Ų5852 Ų5260%0.59829%0.29SS*.THydrogen-bonded Turntrans85.7-11.3-17800000114.8N141 K184 T188N141-G186 PolarHBondContact OD1-N 2.98Å; K184-G186 PolarHBondContact O-N 2.67Å; G186-T188 PolarHBondContact O-N 3.22Å
187M96.1Very high93.4Very high33 Ų3349 Ų4916%0.16327%0.274CS..  trans-70.4126.9175-173.1-179.9-6100110.5Q136 K184 A185 Q191 A192 K195Q136-M187 HydrophobicContact CG-CB 4.05Å; Q136-M187 PolarHBondContact NE2-O 3.13Å; K184-M187 HydrophobicContact CB-CE 4.28Å; K184-M187 HydrophobicContact CD-CE 4.1Å; K184-M187 HydrophobicContact CG-CE 4.47Å; K184-M187 WeakPolarHBondContact O-CB 3.25Å; K184-M187 PolarHBondContact O-N 3.48Å; K184-M187 VanDerWaalsContact O-N 3.14Å; A185-M187 VanDerWaalsContact C-N 3.29Å; A185-M187 PolarHBondContact O-N 3.12Å; M187-Q191 HydrophobicContact CG-CB 3.66Å; M187-A192 HydrophobicContact CG-CB 4.14Å; M187-A192 VanDerWaalsContact SD-CA 3.56Å; M187-A192 HydrophobicContact SD-CB 3.88Å; M187-K195 HydrophobicContact CE-CD 3.75Å; M187-K195 HydrophobicContact SD-CD 4.26Å
188T94.3Very high93.3Very high65 Ų6551.7 Ų51.740%0.39929%0.288SS..  trans-72.4166.1177.771.70000111.7G186 E190 Q191 A192G186-T188 PolarHBondContact O-N 3.22Å; T188-E190 VanDerWaalsContact C-N 3.31Å; T188-E190 PolarHBondContact O-N 3.31Å; T188-Q191 PolarHBondContact O-N 2.96Å; T188-Q191 VanDerWaalsContact OG1-CG 3.32Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.49Å; T188-Q191 PolarHBondContact OG1-N 3.47Å; T188-A192 VanDerWaalsContact O-CB 3.29Å; T188-A192 WeakPolarHBondContact O-CB 3.41Å; T188-A192 PolarHBondContact O-N 3.4Å
189L92.1Very high93.5Very high71 Ų7150.7 Ų50.737%0.37229%0.288SS..Hα-helixtrans-57.2-45.8175.9174.260.4000111.5S137 A192 I193S137-L189 WeakPolarHBondContact O-CD1 3.38Å; L189-A192 PolarHBondContact O-N 3.12Å; L189-I193 HydrophobicContact CD1-CD1 3.72Å; L189-I193 HydrophobicContact CD1-CG1 4.08Å; L189-I193 HydrophobicContact CG-CD1 3.91Å; L189-I193 WeakPolarHBondContact O-CB 3.47Å; L189-I193 VanDerWaalsContact O-CG1 3.3Å; L189-I193 WeakPolarHBondContact O-CG1 3.45Å; L189-I193 PolarHBondContact O-N 3.49Å
190E92Very high93.5Very high105 Ų10546.6 Ų46.649%0.49126%0.263SS..Hα-helixtrans-62.8-46.7-179.7-71.363.4-141.600111.1R105 T188 A192 I193 E194R105-E190 IonicContact NH2-OE1 3.55Å; R105-E190 PolarHBondContact NH2-OE1 2.97Å; T188-E190 VanDerWaalsContact C-N 3.31Å; T188-E190 PolarHBondContact O-N 3.31Å; E190-A192 VanDerWaalsContact C-N 3.34Å; E190-A192 PolarHBondContact O-N 2.99Å; E190-I193 PolarHBondContact O-N 3.46Å; E190-E194 WeakPolarHBondContact O-CB 3.25Å; E190-E194 PolarHBondContact O-N 3.28Å
191Q93.9Very high93.2Very high101 Ų10148.3 Ų48.347%0.47227%0.271SS..Hα-helixtrans-63.5-39.6176.3-71.7172.5-19.300112M187 T188 K195M187-Q191 HydrophobicContact CG-CB 3.66Å; T188-Q191 PolarHBondContact O-N 2.96Å; T188-Q191 VanDerWaalsContact OG1-CG 3.32Å; T188-Q191 WeakPolarHBondContact OG1-CG 3.49Å; T188-Q191 PolarHBondContact OG1-N 3.47Å; Q191-K195 WeakPolarHBondContact O-CB 3.46Å; Q191-K195 PolarHBondContact O-N 3.3Å
192A94.7Very high93Very high0 Ų056.4 Ų56.40%031%0.306CS..Hα-helixtrans-63.9-47.217700000110.9I133 M187 T188 L189 E190 Y196I133-A192 HydrophobicContact CG2-CB 3.98Å; I133-A192 WeakPolarHBondContact CG2-O 3.49Å; M187-A192 HydrophobicContact CG-CB 4.14Å; M187-A192 VanDerWaalsContact SD-CA 3.56Å; M187-A192 HydrophobicContact SD-CB 3.88Å; T188-A192 VanDerWaalsContact O-CB 3.29Å; T188-A192 WeakPolarHBondContact O-CB 3.41Å; T188-A192 PolarHBondContact O-N 3.4Å; L189-A192 PolarHBondContact O-N 3.12Å; E190-A192 VanDerWaalsContact C-N 3.34Å; E190-A192 PolarHBondContact O-N 2.99Å; A192-Y196 VanDerWaalsContact O-CB 3.3Å; A192-Y196 WeakPolarHBondContact O-CB 3.17Å; A192-Y196 PolarHBondContact O-N 2.7Å
193I92.6Very high92.8Very high10 Ų1055.2 Ų55.25%0.05129%0.293CS..Hα-helixtrans-61.4-50.4176.7-70.1171.3000110.2V104 R105 Y108 L189 E190 K195 Y196 M197V104-I193 HydrophobicContact CG1-CG2 3.55Å; R105-I193 HydrophobicContact CG-CD1 4.07Å; Y108-I193 HydrophobicContact CD1-CD1 4.37Å; Y108-I193 HydrophobicContact CD1-CG1 4.03Å; Y108-I193 HydrophobicContact CD2-CB 4.47Å; Y108-I193 HydrophobicContact CD2-CG1 4.24Å; Y108-I193 HydrophobicContact CD2-CG2 4.18Å; Y108-I193 HydrophobicContact CE1-CG1 4.13Å; Y108-I193 HydrophobicContact CE2-CG1 4.33Å; Y108-I193 HydrophobicContact CG-CG1 4.08Å; Y108-I193 HydrophobicContact CG-CG2 4.05Å; L189-I193 HydrophobicContact CD1-CD1 3.72Å; L189-I193 HydrophobicContact CD1-CG1 4.08Å; L189-I193 HydrophobicContact CG-CD1 3.91Å; L189-I193 WeakPolarHBondContact O-CB 3.47Å; L189-I193 VanDerWaalsContact O-CG1 3.3Å; L189-I193 WeakPolarHBondContact O-CG1 3.45Å; L189-I193 PolarHBondContact O-N 3.49Å; E190-I193 PolarHBondContact O-N 3.46Å; I193-K195 PolarHBondContact O-N 3.11Å; I193-Y196 WeakPolarHBondContact O-CB 3.42Å; I193-Y196 PolarHBondContact O-N 3.06Å; I193-M197 HydrophobicContact CG2-CG 4.19Å; I193-M197 VanDerWaalsContact O-CG 3.23Å; I193-M197 WeakPolarHBondContact O-CG 3.4Å; I193-M197 PolarHBondContact O-N 3.11Å
194E91.6Very high92.2Very high82 Ų8252.6 Ų52.638%0.38329%0.288SS..Hα-helixtrans-57.9-48.4179.8-177.1-177.8177.900111.8E190 Y196 M197 N198E190-E194 WeakPolarHBondContact O-CB 3.25Å; E190-E194 PolarHBondContact O-N 3.28Å; E194-Y196 VanDerWaalsContact C-N 3.31Å; E194-Y196 PolarHBondContact O-N 3.18Å; E194-M197 PolarHBondContact O-N 2.72Å; E194-N198 WeakPolarHBondContact O-CB 3.45Å; E194-N198 VanDerWaalsContact O-CG 3.28Å; E194-N198 PolarHBondContact O-N 3.49Å; E194-N198 PolarHBondContact O-ND2 2.87Å
195K94Very high91.6Very high85 Ų8553.9 Ų53.937%0.3729%0.293SS..Hα-helixtrans-62.4-38.9178-170.9173.2-175.61650112I133 M187 Q191 I193 T199I133-K195 HydrophobicContact CD1-CB 4.41Å; I133-K195 HydrophobicContact CD1-CD 4.04Å; I133-K195 HydrophobicContact CD1-CG 3.87Å; M187-K195 HydrophobicContact CE-CD 3.75Å; M187-K195 HydrophobicContact SD-CD 4.26Å; Q191-K195 WeakPolarHBondContact O-CB 3.46Å; Q191-K195 PolarHBondContact O-N 3.3Å; I193-K195 PolarHBondContact O-N 3.11Å; K195-T199 WeakPolarHBondContact O-CB 3.25Å; K195-T199 PolarHBondContact O-N 2.68Å; K195-T199 VanDerWaalsContact O-N 3.07Å; K195-T199 PolarHBondContact O-OG1 3.26Å
196Y95.6Very high91.4Very high3 Ų352.2 Ų52.21%0.01227%0.274CS..Hα-helixtrans-61.3-52174.8-169.5-82.4000110.7Y108 L111 R112 L130 I133 E134 A192 I193 E194 N198 T199 V200Y108-Y196 AromaticContact CD2-CD1 3.61Å; Y108-Y196 HydrophobicContact CD2-CD1 3.61Å; Y108-Y196 HydrophobicContact CD2-CE1 4.23Å; Y108-Y196 AromaticContact CD2-CG 3.87Å; Y108-Y196 HydrophobicContact CD2-CG 3.87Å; Y108-Y196 AromaticContact CE2-CD1 3.65Å; Y108-Y196 HydrophobicContact CE2-CD1 3.65Å; Y108-Y196 AromaticContact CE2-CD2 3.86Å; Y108-Y196 HydrophobicContact CE2-CD2 3.86Å; Y108-Y196 HydrophobicContact CE2-CE1 4.21Å; Y108-Y196 HydrophobicContact CE2-CE2 4.39Å; Y108-Y196 AromaticContact CE2-CG 3.47Å; Y108-Y196 HydrophobicContact CE2-CG 3.47Å; Y108-Y196 VanDerWaalsContact CE2-CG 3.47Å; L111-Y196 HydrophobicContact CB-CE1 4.32Å; R112-Y196 WeakPolarHBondContact CA-OH 3.29Å; R112-Y196 HydrophobicContact CG-CE1 4.12Å; R112-Y196 HydrophobicContact CG-CE2 4.26Å; L130-Y196 HydrophobicContact CB-CD2 4.4Å; L130-Y196 HydrophobicContact CB-CE2 3.91Å; L130-Y196 HydrophobicContact CD2-CD2 3.79Å; L130-Y196 HydrophobicContact CD2-CE2 3.86Å; L130-Y196 HydrophobicContact CD2-CG 4.14Å; L130-Y196 HydrophobicContact CG-CE2 4.41Å; L130-Y196 WeakPolarHBondContact O-CE2 3.31Å; I133-Y196 HydrophobicContact CB-CD2 4.29Å; I133-Y196 HydrophobicContact CG2-CD2 4.08Å; I133-Y196 HydrophobicContact CG2-CG 4.46Å; E134-Y196 HydrophobicContact CB-CE2 4.47Å; A192-Y196 VanDerWaalsContact O-CB 3.3Å; A192-Y196 WeakPolarHBondContact O-CB 3.17Å; A192-Y196 PolarHBondContact O-N 2.7Å; I193-Y196 WeakPolarHBondContact O-CB 3.42Å; I193-Y196 PolarHBondContact O-N 3.06Å; E194-Y196 VanDerWaalsContact C-N 3.31Å; E194-Y196 PolarHBondContact O-N 3.18Å; Y196-N198 PolarHBondContact O-N 3.28Å; Y196-T199 PolarHBondContact O-N 3.15Å; Y196-V200 HydrophobicContact CD1-CG2 3.87Å; Y196-V200 HydrophobicContact CE1-CG2 3.55Å; Y196-V200 WeakPolarHBondContact O-CG2 3.33Å; Y196-V200 PolarHBondContact O-N 3Å
197M92.5Very high90.9Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-58.8-50.4-179.3-66.6-55-63.200111.3W96 V104 F107 Y108 L111 I193 E194 T199 V200 D201W96-M197 HydrophobicContact CB-CB 4.37Å; W96-M197 HydrophobicContact CD2-CB 4.21Å; W96-M197 HydrophobicContact CD2-CE 3.55Å; W96-M197 HydrophobicContact CD2-CG 4.44Å; W96-M197 HydrophobicContact CE3-CE 3.73Å; W96-M197 HydrophobicContact CG-CB 3.81Å; W96-M197 HydrophobicContact CG-CE 4.33Å; W96-M197 HydrophobicContact CG-CG 4.4Å; W96-M197 HydrophobicContact CH2-CE 3.58Å; W96-M197 HydrophobicContact CZ2-CE 3.37Å; W96-M197 HydrophobicContact CZ3-CE 3.74Å; V104-M197 HydrophobicContact CG1-CG 4.35Å; F107-M197 HydrophobicContact CB-CE 3.76Å; Y108-M197 VanDerWaalsContact CA-SD 3.57Å; Y108-M197 HydrophobicContact CD2-SD 4.37Å; L111-M197 HydrophobicContact CD1-CE 3.43Å; L111-M197 VanDerWaalsContact CD1-CE 3.43Å; L111-M197 HydrophobicContact CD1-SD 3.72Å; I193-M197 HydrophobicContact CG2-CG 4.19Å; I193-M197 VanDerWaalsContact O-CG 3.23Å; I193-M197 WeakPolarHBondContact O-CG 3.4Å; I193-M197 PolarHBondContact O-N 3.11Å; E194-M197 PolarHBondContact O-N 2.72Å; M197-T199 PolarHBondContact O-N 3.45Å; M197-V200 PolarHBondContact O-N 3.16Å; M197-D201 VanDerWaalsContact O-CB 3.29Å; M197-D201 WeakPolarHBondContact O-CB 3.28Å; M197-D201 PolarHBondContact O-N 3.45Å
198N91.4Very high90.4Very high55 Ų5549.4 Ų49.429%0.29425%0.249SC..Hα-helixtrans-63.9-24.8179.3-70.9-17.2000113.6E194 Y196 K202E194-N198 WeakPolarHBondContact O-CB 3.45Å; E194-N198 VanDerWaalsContact O-CG 3.28Å; E194-N198 PolarHBondContact O-N 3.49Å; E194-N198 PolarHBondContact O-ND2 2.87Å; Y196-N198 PolarHBondContact O-N 3.28Å; N198-K202 WeakPolarHBondContact O-CD 3.48Å; N198-K202 WeakPolarHBondContact O-CE 3.17Å; N198-K202 WeakPolarHBondContact O-CG 3.41Å
199T93.6Very high90.2Very high33 Ų3348.1 Ų48.120%0.20224%0.24CC..Hα-helixtrans-78.8-46.8174.6-56.50000110.4V126 L130 K195 Y196 M197 K202V126-T199 HydrophobicContact CG1-CG2 4.35Å; L130-T199 HydrophobicContact CD2-CG2 3.74Å; L130-T199 HydrophobicContact CG-CG2 4.26Å; K195-T199 WeakPolarHBondContact O-CB 3.25Å; K195-T199 PolarHBondContact O-N 2.68Å; K195-T199 VanDerWaalsContact O-N 3.07Å; K195-T199 PolarHBondContact O-OG1 3.26Å; Y196-T199 PolarHBondContact O-N 3.15Å; M197-T199 PolarHBondContact O-N 3.45Å; T199-K202 PolarHBondContact O-N 3.49Å
200V92.2Very high90.1Very high0 Ų048 Ų480%024%0.235CC..Hα-helixtrans-68.5-36.9-176.8175.10000112.4L111 V115 I120 L130 Y196 M197 K202 L203 Y206L111-V200 HydrophobicContact CB-CG1 4.48Å; L111-V200 HydrophobicContact CD1-CB 4.49Å; L111-V200 HydrophobicContact CD1-CG1 4.01Å; L111-V200 HydrophobicContact CD2-CG1 4.1Å; L111-V200 HydrophobicContact CG-CG1 4.44Å; V115-V200 HydrophobicContact CG2-CG1 4.45Å; V115-V200 HydrophobicContact CG2-CG2 4.22Å; I120-V200 HydrophobicContact CD1-CG1 3.89Å; L130-V200 HydrophobicContact CD1-CG2 3.86Å; L130-V200 HydrophobicContact CD2-CG2 3.64Å; L130-V200 HydrophobicContact CG-CG2 4.43Å; Y196-V200 HydrophobicContact CD1-CG2 3.87Å; Y196-V200 HydrophobicContact CE1-CG2 3.55Å; Y196-V200 WeakPolarHBondContact O-CG2 3.33Å; Y196-V200 PolarHBondContact O-N 3Å; M197-V200 PolarHBondContact O-N 3.16Å; V200-K202 PolarHBondContact O-N 3.38Å; V200-K202 VanDerWaalsContact O-N 3.14Å; V200-L203 WeakPolarHBondContact O-CB 3.4Å; V200-L203 PolarHBondContact O-N 2.68Å; V200-Y206 HydrophobicContact CG1-CD2 3.7Å; V200-Y206 HydrophobicContact CG1-CE2 4.01Å; V200-Y206 WeakPolarHBondContact O-CD2 3.43Å
201D88.7Confident90.1Very high47 Ų4744.7 Ų44.725%0.25122%0.219SC..THydrogen-bonded Turntrans-59.8-21.8178.1-171.436.3000113.5M197 Y206M197-D201 VanDerWaalsContact O-CB 3.29Å; M197-D201 WeakPolarHBondContact O-CB 3.28Å; M197-D201 PolarHBondContact O-N 3.45Å; D201-Y206 HydrophobicContact CB-CE1 4.27Å; D201-Y206 WeakPolarHBondContact OD1-CD1 3.46Å; D201-Y206 WeakPolarHBondContact OD1-CE1 3.42Å
202K88.8Confident90.2Very high172 Ų17243.7 Ų43.775%0.74821%0.214SC*.THydrogen-bonded Turntrans-94.7-1.8179.6-62.8178.3-175.2-177.90113.8N198 T199 V200N198-K202 WeakPolarHBondContact O-CD 3.48Å; N198-K202 WeakPolarHBondContact O-CE 3.17Å; N198-K202 WeakPolarHBondContact O-CG 3.41Å; T199-K202 PolarHBondContact O-N 3.49Å; V200-K202 PolarHBondContact O-N 3.38Å; V200-K202 VanDerWaalsContact O-N 3.14Å
203L89.2Confident90.3Very high23 Ų2343.7 Ų43.712%0.1221%0.214CC..SBendtrans-83.1147-175.2-61.1179000111.7I120 M122 V126 L130 V200 Y206I120-L203 HydrophobicContact CG2-CB 3.47Å; I120-L203 VanDerWaalsContact CG2-CB 3.47Å; I120-L203 HydrophobicContact CG2-CD1 3.75Å; I120-L203 HydrophobicContact CG2-CG 4.25Å; M122-L203 HydrophobicContact CB-CD1 4.26Å; M122-L203 HydrophobicContact CE-CD1 3.83Å; V126-L203 HydrophobicContact CG1-CD1 4.05Å; V126-L203 HydrophobicContact CG1-CD2 3.74Å; L130-L203 HydrophobicContact CD1-CD1 4.13Å; V200-L203 WeakPolarHBondContact O-CB 3.4Å; V200-L203 PolarHBondContact O-N 2.68Å; L203-Y206 WeakPolarHBondContact O-CB 3.4Å; L203-Y206 PolarHBondContact O-N 2.97Å
204P82.2Confident90.6Very high80 Ų8046.4 Ų46.452%0.51922%0.224SC..THydrogen-bonded Turntrans-55.6147.3171-20.431.3000110.9I120 D121 Y206I120-P204 WeakPolarHBondContact CG2-O 3.3Å; D121-P204 HydrophobicContact CB-CB 4.34Å; P204-Y206 PolarHBondContact O-N 2.84Å; P204-Y206 VanDerWaalsContact O-N 3.11Å
205K82.3Confident90.7Very high46 Ų4644.3 Ų44.320%0.222%0.215CC..THydrogen-bonded Turntrans67.1-2.2-177.6-50-168170.3149.50115.5D121 G207 V208 Y210 T238D121-K205 IonicContact OD1-NZ 2.85Å; D121-K205 PolarHBondContact OD1-NZ 2.88Å; D121-K205 WeakPolarHBondContact OD2-CD 3.48Å; D121-K205 WeakPolarHBondContact OD2-CE 3.47Å; D121-K205 IonicContact OD2-NZ 3.13Å; D121-K205 PolarHBondContact OD2-NZ 2.94Å; K205-G207 PolarHBondContact O-N 3.47Å; K205-V208 PolarHBondContact O-N 3.18Å; K205-Y210 HydrophobicContact CB-CE2 3.76Å; K205-Y210 HydrophobicContact CD-CE2 4.08Å; K205-Y210 HydrophobicContact CG-CE2 4.06Å; K205-Y210 WeakPolarHBondContact CG-OH 3.34Å; K205-T238 PolarHBondContact NZ-OG1 3.39Å
206Y86.7Confident90.6Very high27 Ų2745.6 Ų45.611%0.10623%0.226CC..THydrogen-bonded Turntrans-57.3134.4174.3172.3-98.4000111.5F91 W96 L111 I120 V200 D201 L203 P204 V208F91-Y206 HydrophobicContact CB-CE1 4.47Å; F91-Y206 HydrophobicContact CD1-CE2 4.13Å; F91-Y206 AromaticContact CD1-CZ 3.99Å; W96-Y206 WeakPolarHBondContact CZ2-OH 3.45Å; L111-Y206 HydrophobicContact CD1-CE2 3.92Å; L111-Y206 HydrophobicContact CD2-CD2 4.18Å; L111-Y206 HydrophobicContact CD2-CE2 3.7Å; L111-Y206 HydrophobicContact CG-CE2 4.48Å; I120-Y206 HydrophobicContact CD1-CD2 4.37Å; V200-Y206 HydrophobicContact CG1-CD2 3.7Å; V200-Y206 HydrophobicContact CG1-CE2 4.01Å; V200-Y206 WeakPolarHBondContact O-CD2 3.43Å; D201-Y206 HydrophobicContact CB-CE1 4.27Å; D201-Y206 WeakPolarHBondContact OD1-CD1 3.46Å; D201-Y206 WeakPolarHBondContact OD1-CE1 3.42Å; L203-Y206 WeakPolarHBondContact O-CB 3.4Å; L203-Y206 PolarHBondContact O-N 2.97Å; P204-Y206 PolarHBondContact O-N 2.84Å; P204-Y206 VanDerWaalsContact O-N 3.11Å; Y206-V208 PolarHBondContact O-N 3.2Å; Y206-V208 VanDerWaalsContact O-N 3.13Å
207G84.7Confident90.5Very high11 Ų1150.8 Ų50.811%0.11326%0.263CS..THydrogen-bonded Turntrans68.37.9176.100000115.5K205 Y292K205-G207 PolarHBondContact O-N 3.47Å; G207-Y292 PolarHBondContact O-OH 3.34Å
208V85.6Confident90.6Very high22 Ų2253.1 Ų53.113%0.13329%0.287CS..  trans-106.2126.8176.7-175.30000109.9K205 Y206 Y210 I225K205-V208 PolarHBondContact O-N 3.18Å; Y206-V208 PolarHBondContact O-N 3.2Å; Y206-V208 VanDerWaalsContact O-N 3.13Å; V208-Y210 HydrophobicContact CB-CD2 4.43Å; V208-Y210 HydrophobicContact CB-CE2 3.64Å; V208-Y210 HydrophobicContact CG1-CD2 4.14Å; V208-Y210 HydrophobicContact CG1-CE1 4.06Å; V208-Y210 HydrophobicContact CG1-CE2 3.58Å; V208-Y210 WeakPolarHBondContact O-CD2 3.49Å; V208-Y210 WeakPolarHBondContact O-CE2 3.19Å; V208-I225 CarbonylContact C-O 3.53Å; V208-I225 WeakPolarHBondContact CA-O 3.27Å
209L88.8Confident90.7Very high38 Ų3855.2 Ų55.220%0.19929%0.294CS..EExtended strand (participates in β ladder)trans-95.8119.1174.8-59175.6000109.5F211 G224 I225 L288 Y292L209-F211 HydrophobicContact CB-CE2 3.95Å; L209-F211 HydrophobicContact CB-CZ 4.48Å; L209-G224 CarbonylContact O-C 3.6Å; L209-G224 WeakPolarHBondContact O-CA 3.46Å; L209-I225 HydrophobicContact CB-CB 4.39Å; L209-I225 PolarHBondContact N-O 3.37Å; L209-I225 PolarHBondContact O-N 3Å; L209-L288 HydrophobicContact CD1-CD1 3.68Å; L209-L288 HydrophobicContact CD1-CD2 3.68Å; L209-L288 HydrophobicContact CD1-CG 4.17Å; L209-Y292 HydrophobicContact CD1-CE2 3.95Å
210Y90.1Very high90.9Very high67 Ų6756.9 Ų56.926%0.26330%0.299SS..EExtended strand (participates in β ladder)trans-98.6138.4-176.1-66.5-92.6000112.2K205 V208 F222 F223 Y233K205-Y210 HydrophobicContact CB-CE2 3.76Å; K205-Y210 HydrophobicContact CD-CE2 4.08Å; K205-Y210 HydrophobicContact CG-CE2 4.06Å; K205-Y210 WeakPolarHBondContact CG-OH 3.34Å; V208-Y210 HydrophobicContact CB-CD2 4.43Å; V208-Y210 HydrophobicContact CB-CE2 3.64Å; V208-Y210 HydrophobicContact CG1-CD2 4.14Å; V208-Y210 HydrophobicContact CG1-CE1 4.06Å; V208-Y210 HydrophobicContact CG1-CE2 3.58Å; V208-Y210 WeakPolarHBondContact O-CD2 3.49Å; V208-Y210 WeakPolarHBondContact O-CE2 3.19Å; Y210-F222 HydrophobicContact CD1-CB 4.32Å; Y210-F223 CarbonylContact C-O 3.56Å; Y210-F223 WeakPolarHBondContact CA-O 3.48Å; Y210-Y233 HydrophobicContact CD1-CD2 4.39Å; Y210-Y233 HydrophobicContact CD1-CE2 4.38Å; Y210-Y233 AromaticContact CE1-CD2 3.82Å; Y210-Y233 HydrophobicContact CE1-CD2 3.82Å; Y210-Y233 AromaticContact CE1-CE2 3.54Å; Y210-Y233 HydrophobicContact CE1-CE2 3.54Å
211F93.6Very high91Very high36 Ų3657.3 Ų57.316%0.15830%0.301CS..EExtended strand (participates in β ladder)trans-132136.1174.1-60.4-87.6000110.1L209 V213 F223 I225 T281 Q284 I285 L288L209-F211 HydrophobicContact CB-CE2 3.95Å; L209-F211 HydrophobicContact CB-CZ 4.48Å; F211-V213 HydrophobicContact CB-CG1 4.42Å; F211-F223 HydrophobicContact CB-CB 4.28Å; F211-F223 PolarHBondContact N-O 3.49Å; F211-F223 PolarHBondContact O-N 3.19Å; F211-I225 HydrophobicContact CD2-CD1 4.17Å; F211-I225 HydrophobicContact CD2-CG1 4.46Å; F211-I225 HydrophobicContact CE2-CD1 3.74Å; F211-I225 HydrophobicContact CE2-CG1 4.3Å; F211-T281 HydrophobicContact CD1-CG2 3.88Å; F211-Q284 HydrophobicContact CE1-CB 4.31Å; F211-I285 HydrophobicContact CB-CD1 3.82Å; F211-I285 HydrophobicContact CB-CG1 4.05Å; F211-I285 HydrophobicContact CD1-CD1 4.42Å; F211-I285 HydrophobicContact CD1-CG1 3.95Å; F211-I285 HydrophobicContact CD2-CD1 4.43Å; F211-I285 HydrophobicContact CD2-CG1 3.74Å; F211-I285 HydrophobicContact CE1-CG1 4.39Å; F211-I285 HydrophobicContact CE2-CG1 4.22Å; F211-I285 HydrophobicContact CG-CD1 3.96Å; F211-I285 HydrophobicContact CG-CG1 3.61Å; F211-L288 HydrophobicContact CE1-CD1 4.47Å; F211-L288 HydrophobicContact CE2-CD1 3.9Å; F211-L288 HydrophobicContact CZ-CD1 3.39Å
212Q94.9Very high91.3Very high81 Ų8157.8 Ų57.838%0.37930%0.301SS..EExtended strand (participates in β ladder)trans-75.3126.2170.3-170.3-177.22.700109.4W214 E220 F222Q212-W214 HydrophobicContact CG-CH2 4.01Å; Q212-W214 HydrophobicContact CG-CZ2 4.29Å; Q212-W214 HydrophobicContact CG-CZ3 4.49Å; Q212-E220 VanDerWaalsContact CD-OE1 3.22Å; Q212-E220 HydrophobicContact CG-CG 4.04Å; Q212-E220 VanDerWaalsContact CG-OE1 3.26Å; Q212-E220 WeakPolarHBondContact CG-OE1 3.4Å; Q212-E220 PolarHBondContact NE2-OE1 3.23Å; Q212-F222 HydrophobicContact CB-CE1 4.49Å
213V97.1Very high91.6Very high0 Ų049.6 Ų49.60%027%0.265CS..EExtended strand (participates in β ladder)trans-138.7167.7180-55.60000110.6F211 E220 K221 F223 Y274 Y275 T276 I285F211-V213 HydrophobicContact CB-CG1 4.42Å; V213-E220 CarbonylContact O-C 3.57Å; V213-E220 WeakPolarHBondContact O-CA 2.8Å; V213-K221 HydrophobicContact CG2-CB 3.97Å; V213-K221 WeakPolarHBondContact CG2-O 2.9Å; V213-K221 PolarHBondContact N-O 3.2Å; V213-K221 PolarHBondContact O-N 3.41Å; V213-K221 VanDerWaalsContact O-O 3.06Å; V213-F223 HydrophobicContact CB-CB 4.44Å; V213-F223 HydrophobicContact CG1-CB 3.69Å; V213-F223 HydrophobicContact CG1-CD2 4.38Å; V213-F223 HydrophobicContact CG1-CG 4.32Å; V213-F223 HydrophobicContact CG2-CB 3.83Å; V213-F223 HydrophobicContact CG2-CD2 4.32Å; V213-Y274 HydrophobicContact CG2-CD1 3.7Å; V213-Y274 HydrophobicContact CG2-CE1 4.46Å; V213-Y274 HydrophobicContact CG2-CG 4.19Å; V213-Y275 CarbonylContact C-O 3.5Å; V213-Y275 WeakPolarHBondContact CA-O 3.33Å; V213-Y275 WeakPolarHBondContact CB-O 3.16Å; V213-T276 HydrophobicContact CG1-CG2 4.12Å; V213-I285 HydrophobicContact CG1-CD1 3.93Å
214W97.9Very high91.8Very high67 Ų6748.5 Ų48.525%0.25426%0.259SS..EExtended strand (participates in β ladder)trans-122.6138.1172.9-65.1-96.5000109.6Q212 K219 Y274 Y275 E277Q212-W214 HydrophobicContact CG-CH2 4.01Å; Q212-W214 HydrophobicContact CG-CZ2 4.29Å; Q212-W214 HydrophobicContact CG-CZ3 4.49Å; W214-K219 CarbonylContact C-O 3.5Å; W214-K219 WeakPolarHBondContact CA-O 3.18Å; W214-Y274 CarbonylContact O-C 3.53Å; W214-Y274 VanDerWaalsContact O-CA 3.27Å; W214-Y274 WeakPolarHBondContact O-CA 3.42Å; W214-Y275 PolarHBondContact N-O 3.33Å; W214-Y275 PolarHBondContact O-N 3.37Å; W214-E277 HydrophobicContact CH2-CB 4.12Å; W214-E277 HydrophobicContact CZ3-CB 4Å
215N95Very high92.2Very high37 Ų3744.7 Ų44.720%0.19824%0.235CC..EExtended strand (participates in β ladder)trans-76178.917372.63.8000111.3S217 G218 K219 Y274N215-S217 PolarHBondContact O-N 2.86Å; N215-S217 WeakPolarHBondContact OD1-CA 3.4Å; N215-S217 WeakPolarHBondContact OD1-CB 2.91Å; N215-S217 PolarHBondContact OD1-N 3.3Å; N215-S217 VanDerWaalsContact OD1-N 3.1Å; N215-G218 PolarHBondContact O-N 3.4Å; N215-G218 PolarHBondContact OD1-N 3.24Å; N215-G218 VanDerWaalsContact OD1-N 3.08Å; N215-K219 PolarHBondContact N-O 3.34Å; N215-K219 PolarHBondContact OD1-N 3.12Å; N215-K219 PolarHBondContact OD1-O 3.12Å; N215-Y274 HydrophobicContact CB-CD1 4.37Å; N215-Y274 HydrophobicContact CB-CE1 4.23Å
216D91.7Very high92.5Very high113 Ų11342.5 Ų42.560%0.60423%0.225SC*.THydrogen-bonded Turntrans-65.5-21.9-179.6-152.946.9000113.8G218 Y275D216-G218 VanDerWaalsContact C-N 3.27Å; D216-G218 PolarHBondContact O-N 2.86Å; D216-Y275 WeakPolarHBondContact OD1-CE2 3.41Å; D216-Y275 PolarHBondContact OD1-OH 3.05Å
217S93.6Very high92.4Very high112 Ų11242.1 Ų42.178%0.78323%0.226SC*.THydrogen-bonded Turntrans-82.1-1.5171.8-44.10000113.6N215 K219N215-S217 PolarHBondContact O-N 2.86Å; N215-S217 WeakPolarHBondContact OD1-CA 3.4Å; N215-S217 WeakPolarHBondContact OD1-CB 2.91Å; N215-S217 PolarHBondContact OD1-N 3.3Å; N215-S217 VanDerWaalsContact OD1-N 3.1Å; S217-K219 VanDerWaalsContact C-N 3.34Å
218G93.5Very high92.5Very high49 Ų4945.1 Ų45.151%0.50524%0.239SC..SBendtrans79.47.7-17700000115.2N215 D216N215-G218 PolarHBondContact O-N 3.4Å; N215-G218 PolarHBondContact OD1-N 3.24Å; N215-G218 VanDerWaalsContact OD1-N 3.08Å; D216-G218 VanDerWaalsContact C-N 3.27Å; D216-G218 PolarHBondContact O-N 2.86Å
219K95.6Very high92.9Very high99 Ų9944 Ų4443%0.4323%0.233SC..  trans-76.6132.4174-168.5179-175.9-1710109.8W214 N215 S217 D234W214-K219 CarbonylContact C-O 3.5Å; W214-K219 WeakPolarHBondContact CA-O 3.18Å; N215-K219 PolarHBondContact N-O 3.34Å; N215-K219 PolarHBondContact OD1-N 3.12Å; N215-K219 PolarHBondContact OD1-O 3.12Å; S217-K219 VanDerWaalsContact C-N 3.34Å; K219-D234 VanDerWaalsContact CE-OD2 3.31Å; K219-D234 WeakPolarHBondContact CE-OD2 3.45Å; K219-D234 IonicContact NZ-OD2 2.88Å; K219-D234 PolarHBondContact NZ-OD2 3.1Å
220E96.5Very high93.2Very high67 Ų6742.2 Ų42.231%0.31322%0.223SC..EExtended strand (participates in β ladder)trans-66.5141.4174.4-171.5179164.500111.5Q212 V213 P235Q212-E220 VanDerWaalsContact CD-OE1 3.22Å; Q212-E220 HydrophobicContact CG-CG 4.04Å; Q212-E220 VanDerWaalsContact CG-OE1 3.26Å; Q212-E220 WeakPolarHBondContact CG-OE1 3.4Å; Q212-E220 PolarHBondContact NE2-OE1 3.23Å; V213-E220 CarbonylContact O-C 3.57Å; V213-E220 WeakPolarHBondContact O-CA 2.8Å; E220-P235 HydrophobicContact CB-CG 4.13Å; E220-P235 HydrophobicContact CG-CG 3.79Å; E220-P235 WeakPolarHBondContact O-CD 3.32Å
221K95.6Very high93.3Very high9 Ų941 Ų414%0.03922%0.218CC..EExtended strand (participates in β ladder)trans-143.3153.2178.3-63.4-64169.9-176.50110.9V213 I232 D234 E242V213-K221 HydrophobicContact CG2-CB 3.97Å; V213-K221 WeakPolarHBondContact CG2-O 2.9Å; V213-K221 PolarHBondContact N-O 3.2Å; V213-K221 PolarHBondContact O-N 3.41Å; V213-K221 VanDerWaalsContact O-O 3.06Å; K221-I232 HydrophobicContact CB-CG2 3.9Å; K221-I232 HydrophobicContact CD-CG2 4.17Å; K221-I232 HydrophobicContact CG-CG2 4.07Å; K221-D234 IonicContact NZ-OD2 2.68Å; K221-D234 PolarHBondContact NZ-OD2 3.43Å; K221-E242 WeakPolarHBondContact CD-OE2 3.49Å; K221-E242 VanDerWaalsContact CE-OE2 3.24Å; K221-E242 WeakPolarHBondContact CE-OE2 3.26Å; K221-E242 IonicContact NZ-OE1 3.05Å; K221-E242 PolarHBondContact NZ-OE1 3.33Å; K221-E242 IonicContact NZ-OE2 2.7Å; K221-E242 PolarHBondContact NZ-OE2 3.39Å
222F94.1Very high93.4Very high57 Ų5739.4 Ų39.425%0.2521%0.211CC..EExtended strand (participates in β ladder)trans-95.3120.9165.5-75.5-58.6000110.7Y210 Q212 I232 Y233 P235 T238Y210-F222 HydrophobicContact CD1-CB 4.32Å; Q212-F222 HydrophobicContact CB-CE1 4.49Å; F222-I232 WeakPolarHBondContact O-CA 3.47Å; F222-Y233 HydrophobicContact CB-CD2 4.46Å; F222-Y233 PolarHBondContact N-O 3.36Å; F222-Y233 PolarHBondContact O-N 3.34Å; F222-P235 HydrophobicContact CD2-CB 4.12Å; F222-P235 HydrophobicContact CD2-CG 4.23Å; F222-P235 HydrophobicContact CE2-CB 3.75Å; F222-P235 HydrophobicContact CE2-CG 4.26Å; F222-P235 HydrophobicContact CZ-CB 4.47Å; F222-T238 HydrophobicContact CD2-CG2 3.8Å; F222-T238 HydrophobicContact CE2-CG2 3.96Å
223F94.9Very high93.3Very high0 Ų036.4 Ų36.40%020%0.197CC..EExtended strand (participates in β ladder)trans-94.2106.4175.3-166.7-73.7000109.7Y210 F211 V213 I225 I230 I232 I262 Y274 I285Y210-F223 CarbonylContact C-O 3.56Å; Y210-F223 WeakPolarHBondContact CA-O 3.48Å; F211-F223 HydrophobicContact CB-CB 4.28Å; F211-F223 PolarHBondContact N-O 3.49Å; F211-F223 PolarHBondContact O-N 3.19Å; V213-F223 HydrophobicContact CB-CB 4.44Å; V213-F223 HydrophobicContact CG1-CB 3.69Å; V213-F223 HydrophobicContact CG1-CD2 4.38Å; V213-F223 HydrophobicContact CG1-CG 4.32Å; V213-F223 HydrophobicContact CG2-CB 3.83Å; V213-F223 HydrophobicContact CG2-CD2 4.32Å; F223-I225 HydrophobicContact CD1-CD1 4.43Å; F223-I225 HydrophobicContact CD1-CG1 3.86Å; F223-I225 HydrophobicContact CE1-CD1 4.12Å; F223-I225 HydrophobicContact CE1-CG1 3.66Å; F223-I230 HydrophobicContact CD1-CG2 4.17Å; F223-I230 HydrophobicContact CD2-CG2 4.49Å; F223-I230 HydrophobicContact CE1-CD1 4.16Å; F223-I230 HydrophobicContact CE1-CG1 4.48Å; F223-I230 HydrophobicContact CE1-CG2 3.58Å; F223-I230 HydrophobicContact CE2-CG2 3.98Å; F223-I230 HydrophobicContact CZ-CD1 3.86Å; F223-I230 HydrophobicContact CZ-CG2 3.49Å; F223-I230 VanDerWaalsContact CZ-CG2 3.49Å; F223-I232 HydrophobicContact CB-CD1 4.37Å; F223-I232 HydrophobicContact CD2-CD1 3.52Å; F223-I232 HydrophobicContact CE2-CD1 4.06Å; F223-I232 HydrophobicContact CG-CD1 4.06Å; F223-I262 HydrophobicContact CE2-CD1 3.75Å; F223-I262 HydrophobicContact CE2-CG1 4.37Å; F223-I262 HydrophobicContact CZ-CD1 3.91Å; F223-I262 HydrophobicContact CZ-CG1 4.38Å; F223-Y274 HydrophobicContact CD2-CD2 4.24Å; F223-Y274 HydrophobicContact CD2-CG 4.39Å; F223-Y274 HydrophobicContact CE2-CD2 4.02Å; F223-Y274 HydrophobicContact CE2-CE2 4.4Å; F223-I285 HydrophobicContact CD1-CG2 4.16Å; F223-I285 HydrophobicContact CE1-CG2 3.57Å; F223-I285 HydrophobicContact CZ-CG2 3.78Å
224G93Very high93Very high0 Ų037.1 Ų37.10%020%0.2CC..EExtended strand (participates in β ladder)trans-95.4126.2176.700000112.3L209 I230 R231L209-G224 CarbonylContact O-C 3.6Å; L209-G224 WeakPolarHBondContact O-CA 3.46Å; G224-I230 CarbonylContact O-C 3.58Å; G224-I230 WeakPolarHBondContact O-CA 3.27Å; G224-R231 WeakPolarHBondContact CA-O 3.42Å; G224-R231 PolarHBondContact N-O 3.34Å; G224-R231 PolarHBondContact O-N 3.45Å
225I92.1Very high92.6Very high0 Ų035.9 Ų35.90%020%0.201CC..EExtended strand (participates in β ladder)trans-104.8115.3171.6-56.4177.3000108V208 L209 F211 F223 W247 I285 L288 Y292V208-I225 CarbonylContact C-O 3.53Å; V208-I225 WeakPolarHBondContact CA-O 3.27Å; L209-I225 HydrophobicContact CB-CB 4.39Å; L209-I225 PolarHBondContact N-O 3.37Å; L209-I225 PolarHBondContact O-N 3Å; F211-I225 HydrophobicContact CD2-CD1 4.17Å; F211-I225 HydrophobicContact CD2-CG1 4.46Å; F211-I225 HydrophobicContact CE2-CD1 3.74Å; F211-I225 HydrophobicContact CE2-CG1 4.3Å; F223-I225 HydrophobicContact CD1-CD1 4.43Å; F223-I225 HydrophobicContact CD1-CG1 3.86Å; F223-I225 HydrophobicContact CE1-CD1 4.12Å; F223-I225 HydrophobicContact CE1-CG1 3.66Å; I225-W247 HydrophobicContact CG2-CH2 4Å; I225-W247 HydrophobicContact CG2-CZ2 3.77Å; I225-I285 HydrophobicContact CD1-CB 4.47Å; I225-I285 HydrophobicContact CD1-CG2 4.17Å; I225-L288 HydrophobicContact CD1-CB 3.75Å; I225-Y292 HydrophobicContact CG2-CD2 3.59Å; I225-Y292 HydrophobicContact CG2-CE2 3.99Å; I225-Y292 HydrophobicContact CG2-CG 4.02Å
226G88.5Confident92.2Very high0 Ų042.8 Ų42.80%023%0.232CC..  trans-129.7-179.6-179.300000113.6N228 A229 W247 Y292G226-N228 PolarHBondContact O-N 3.39Å; G226-A229 PolarHBondContact N-O 3.2Å; G226-A229 VanDerWaalsContact N-O 3.12Å; G226-W247 PolarHBondContact O-NE1 3.39Å; G226-Y292 VanDerWaalsContact C-CD1 3.4Å; G226-Y292 WeakPolarHBondContact O-CD1 3.48Å
227V84.5Confident91.7Very high20 Ų2040.7 Ų40.712%0.12122%0.221CC..SBendtrans-56.3-43.1-175.656.90000114F91 P92 W247 Y292F91-V227 WeakPolarHBondContact O-CB 3.4Å; P92-V227 HydrophobicContact CB-CG2 4.44Å; V227-W247 PolarHBondContact O-NE1 3.5Å; V227-Y292 HydrophobicContact CB-CE1 4.49Å
228N87Confident90.9Very high73 Ų7337.4 Ų37.439%0.3920%0.196SC..SBendtrans-104.5-22.3-171.6-61.3-15.6000113.7G226 P246 W247G226-N228 PolarHBondContact O-N 3.39Å; N228-P246 WeakPolarHBondContact O-CA 3.46Å; N228-W247 VanDerWaalsContact O-CD1 3.29Å; N228-W247 PolarHBondContact O-N 3.24Å
229A92.1Very high90.1Very high0 Ų039.4 Ų39.40%021%0.208CC..EExtended strand (participates in β ladder)trans-159.6158.9-167.600000112.4G226 E244 I245G226-A229 PolarHBondContact N-O 3.2Å; G226-A229 VanDerWaalsContact N-O 3.12Å; A229-E244 HydrophobicContact CB-CG 3.57Å; A229-I245 VanDerWaalsContact CA-O 3.29Å; A229-I245 WeakPolarHBondContact CA-O 3.43Å; A229-I245 WeakPolarHBondContact CB-O 2.99Å
230I95.3Very high89.4Confident0 Ų040.3 Ų40.30%022%0.217CC..EExtended strand (participates in β ladder)trans-83.9134.6156.7-61.2-177.5000108F223 G224 I232 I245 W247 I250 V253 I262F223-I230 HydrophobicContact CD1-CG2 4.17Å; F223-I230 HydrophobicContact CD2-CG2 4.49Å; F223-I230 HydrophobicContact CE1-CD1 4.16Å; F223-I230 HydrophobicContact CE1-CG1 4.48Å; F223-I230 HydrophobicContact CE1-CG2 3.58Å; F223-I230 HydrophobicContact CE2-CG2 3.98Å; F223-I230 HydrophobicContact CZ-CD1 3.86Å; F223-I230 HydrophobicContact CZ-CG2 3.49Å; F223-I230 VanDerWaalsContact CZ-CG2 3.49Å; G224-I230 CarbonylContact O-C 3.58Å; G224-I230 WeakPolarHBondContact O-CA 3.27Å; I230-I232 HydrophobicContact CG2-CD1 4.31Å; I230-I245 PolarHBondContact N-O 2.98Å; I230-I245 PolarHBondContact O-N 3.05Å; I230-W247 HydrophobicContact CD1-CH2 3.68Å; I230-W247 HydrophobicContact CD1-CZ3 3.62Å; I230-W247 HydrophobicContact CG1-CE3 4.33Å; I230-W247 HydrophobicContact CG1-CH2 3.34Å; I230-W247 HydrophobicContact CG1-CZ2 3.91Å; I230-W247 HydrophobicContact CG1-CZ3 3.61Å; I230-I250 HydrophobicContact CB-CD1 4.27Å; I230-I250 HydrophobicContact CD1-CD1 3.6Å; I230-I250 HydrophobicContact CG1-CD1 3.79Å; I230-V253 HydrophobicContact CD1-CG2 3.73Å; I230-I262 HydrophobicContact CD1-CD1 4.09Å; I230-I262 HydrophobicContact CD1-CG1 4.45Å; I230-I262 HydrophobicContact CG2-CD1 4.11Å
231R93.8Very high89.1Confident41 Ų4139.4 Ų39.416%0.15522%0.217CC..EExtended strand (participates in β ladder)trans-124.4139.4-179.8-67.3-174.9-176.499.29.8110.8G224 Y233 M243 E244G224-R231 WeakPolarHBondContact CA-O 3.42Å; G224-R231 PolarHBondContact N-O 3.34Å; G224-R231 PolarHBondContact O-N 3.45Å; R231-Y233 HydrophobicContact CB-CD2 4.36Å; R231-Y233 HydrophobicContact CB-CE2 3.46Å; R231-Y233 VanDerWaalsContact CB-CE2 3.46Å; R231-Y233 WeakPolarHBondContact CD-OH 3.15Å; R231-M243 CarbonylContact C-O 3.48Å; R231-M243 WeakPolarHBondContact CA-O 3.01Å; R231-E244 HydrophobicContact CG-CB 4.35Å; R231-E244 HydrophobicContact CG-CG 4Å; R231-E244 IonicContact CZ-OE1 2.84Å; R231-E244 IonicContact CZ-OE2 2.68Å; R231-E244 IonicContact NE-OE1 2.82Å; R231-E244 PolarHBondContact NE-OE1 2.95Å; R231-E244 IonicContact NE-OE2 2.74Å; R231-E244 PolarHBondContact NE-OE2 3.43Å; R231-E244 IonicContact NH2-OE1 3.92Å; R231-E244 PolarHBondContact NH2-OE1 3.47Å; R231-E244 IonicContact NH2-OE2 3.6Å
232I95.3Very high88.9Confident2 Ų243.8 Ų43.81%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-116.4129.3177.6-50.6-63.9000107.8K221 F222 F223 I230 E242 M243 Y274K221-I232 HydrophobicContact CB-CG2 3.9Å; K221-I232 HydrophobicContact CD-CG2 4.17Å; K221-I232 HydrophobicContact CG-CG2 4.07Å; F222-I232 WeakPolarHBondContact O-CA 3.47Å; F223-I232 HydrophobicContact CB-CD1 4.37Å; F223-I232 HydrophobicContact CD2-CD1 3.52Å; F223-I232 HydrophobicContact CE2-CD1 4.06Å; F223-I232 HydrophobicContact CG-CD1 4.06Å; I230-I232 HydrophobicContact CG2-CD1 4.31Å; I232-E242 PolarHBondContact O-N 3.31Å; I232-M243 HydrophobicContact CB-CB 4.13Å; I232-M243 HydrophobicContact CG1-CB 4.31Å; I232-M243 PolarHBondContact N-O 3.02Å; I232-M243 PolarHBondContact O-N 3.06Å; I232-Y274 HydrophobicContact CD1-CE1 4.24Å; I232-Y274 HydrophobicContact CD1-CE2 4.12Å; I232-Y274 WeakPolarHBondContact CG1-OH 3.24Å; I232-Y274 HydrophobicContact CG2-CE1 4.36Å
233Y92.8Very high88.9Confident19 Ų1944.4 Ų44.48%0.07524%0.242CC..EExtended strand (participates in β ladder)trans-123.2152.8-179.2-51.1-97.5000110.5Y210 F222 R231 C241Y210-Y233 HydrophobicContact CD1-CD2 4.39Å; Y210-Y233 HydrophobicContact CD1-CE2 4.38Å; Y210-Y233 AromaticContact CE1-CD2 3.82Å; Y210-Y233 HydrophobicContact CE1-CD2 3.82Å; Y210-Y233 AromaticContact CE1-CE2 3.54Å; Y210-Y233 HydrophobicContact CE1-CE2 3.54Å; F222-Y233 HydrophobicContact CB-CD2 4.46Å; F222-Y233 PolarHBondContact N-O 3.36Å; F222-Y233 PolarHBondContact O-N 3.34Å; R231-Y233 HydrophobicContact CB-CD2 4.36Å; R231-Y233 HydrophobicContact CB-CE2 3.46Å; R231-Y233 VanDerWaalsContact CB-CE2 3.46Å; R231-Y233 WeakPolarHBondContact CD-OH 3.15Å; Y233-C241 HydrophobicContact CD1-CB 4.19Å; Y233-C241 HydrophobicContact CE1-CB 3.82Å
234D91.3Very high88.8Confident15 Ų1548.8 Ų48.88%0.0826%0.263CS..  trans-76.7137.1166.2-156-66.6000109.8K219 K221 E236 D237 T238 E242K219-D234 VanDerWaalsContact CE-OD2 3.31Å; K219-D234 WeakPolarHBondContact CE-OD2 3.45Å; K219-D234 IonicContact NZ-OD2 2.88Å; K219-D234 PolarHBondContact NZ-OD2 3.1Å; K221-D234 IonicContact NZ-OD2 2.68Å; K221-D234 PolarHBondContact NZ-OD2 3.43Å; D234-E236 PolarHBondContact O-N 2.63Å; D234-E236 PolarHBondContact OD1-N 3.2Å; D234-D237 CarbonylContact O-C 3.57Å; D234-D237 PolarHBondContact O-N 3.44Å; D234-T238 PolarHBondContact O-N 3Å; D234-E242 HydrophobicContact CB-CG 4.44Å
235P88Confident88.9Confident40 Ų4048.8 Ų48.826%0.2626%0.263SS..SBendtrans-60.8-29.3173.8-23.935000114.1E220 F222E220-P235 HydrophobicContact CB-CG 4.13Å; E220-P235 HydrophobicContact CG-CG 3.79Å; E220-P235 WeakPolarHBondContact O-CD 3.32Å; F222-P235 HydrophobicContact CD2-CB 4.12Å; F222-P235 HydrophobicContact CD2-CG 4.23Å; F222-P235 HydrophobicContact CE2-CB 3.75Å; F222-P235 HydrophobicContact CE2-CG 4.26Å; F222-P235 HydrophobicContact CZ-CB 4.47Å
236E86.4Confident89Confident182 Ų18251.3 Ų51.385%0.8528%0.279SS*.SBendtrans-79.7-27179.6-62.8-179.3176.300112.4D234D234-E236 PolarHBondContact O-N 2.63Å; D234-E236 PolarHBondContact OD1-N 3.2Å
237D82.8Confident89.1Confident69 Ų6951.5 Ų51.537%0.36928%0.28SS..  trans-135.482.7177.6-170.8-7.5000111.4D234 A239 L240D234-D237 CarbonylContact O-C 3.57Å; D234-D237 PolarHBondContact O-N 3.44Å; D237-A239 PolarHBondContact O-N 3.08Å; D237-A239 WeakPolarHBondContact OD1-CB 3.24Å; D237-A239 PolarHBondContact OD1-N 3.3Å; D237-A239 VanDerWaalsContact OD1-N 3.08Å; D237-L240 PolarHBondContact OD1-N 2.92Å; D237-L240 WeakPolarHBondContact OD2-CD1 3.45Å
238T76.9Confident89.4Confident44 Ų4452.5 Ų52.527%0.2730%0.295SS..THydrogen-bonded Turntrans-75.6-5.4176.866.20000113.9K205 F222 D234K205-T238 PolarHBondContact NZ-OG1 3.39Å; F222-T238 HydrophobicContact CD2-CG2 3.8Å; F222-T238 HydrophobicContact CE2-CG2 3.96Å; D234-T238 PolarHBondContact O-N 3Å
239A75.1Confident89.6Confident91 Ų9151.9 Ų51.975%0.75229%0.291SS*.THydrogen-bonded Turntrans-79.1-31.7178.200000111.5D237D237-A239 PolarHBondContact O-N 3.08Å; D237-A239 WeakPolarHBondContact OD1-CB 3.24Å; D237-A239 PolarHBondContact OD1-N 3.3Å; D237-A239 VanDerWaalsContact OD1-N 3.08Å
240L82.2Confident89.7Confident117 Ų11751.9 Ų51.961%0.61329%0.291SS*.SBendtrans-98.5122.1177.2-66.1177.4000111.4D237 E242D237-L240 PolarHBondContact OD1-N 2.92Å; D237-L240 WeakPolarHBondContact OD2-CD1 3.45Å; L240-E242 PolarHBondContact O-N 3.28Å
241C89.5Confident89.5Confident49 Ų4958.9 Ų58.933%0.33132%0.319SS..EExtended strand (participates in β ladder)trans-76.5112.3169.6-174.80000108.8Y233 M243Y233-C241 HydrophobicContact CD1-CB 4.19Å; Y233-C241 HydrophobicContact CE1-CB 3.82Å; C241-M243 VanDerWaalsContact C-N 3.34Å; C241-M243 VanDerWaalsContact SG-C 3.55Å; C241-M243 PolarHBondContact SG-O 2.62Å; C241-M243 VanDerWaalsContact SG-O 3.32Å
242E91.4Very high89.5Confident101 Ų10160.7 Ų60.747%0.47233%0.329SS..EExtended strand (participates in β ladder)trans-69-36177.7-69.7-172.9147.500111.9K221 I232 D234 L240K221-E242 WeakPolarHBondContact CD-OE2 3.49Å; K221-E242 VanDerWaalsContact CE-OE2 3.24Å; K221-E242 WeakPolarHBondContact CE-OE2 3.26Å; K221-E242 IonicContact NZ-OE1 3.05Å; K221-E242 PolarHBondContact NZ-OE1 3.33Å; K221-E242 IonicContact NZ-OE2 2.7Å; K221-E242 PolarHBondContact NZ-OE2 3.39Å; I232-E242 PolarHBondContact O-N 3.31Å; D234-E242 HydrophobicContact CB-CG 4.44Å; L240-E242 PolarHBondContact O-N 3.28Å
243M93.4Very high89.5Confident69 Ų6961.2 Ų61.234%0.3433%0.332SS..EExtended strand (participates in β ladder)trans-148.2124.5-178.3-172.4-179.1-65.700110.9R231 I232 C241 I245 L272R231-M243 CarbonylContact C-O 3.48Å; R231-M243 WeakPolarHBondContact CA-O 3.01Å; I232-M243 HydrophobicContact CB-CB 4.13Å; I232-M243 HydrophobicContact CG1-CB 4.31Å; I232-M243 PolarHBondContact N-O 3.02Å; I232-M243 PolarHBondContact O-N 3.06Å; C241-M243 VanDerWaalsContact C-N 3.34Å; C241-M243 VanDerWaalsContact SG-C 3.55Å; C241-M243 PolarHBondContact SG-O 2.62Å; C241-M243 VanDerWaalsContact SG-O 3.32Å; M243-I245 HydrophobicContact CG-CD1 4.45Å; M243-I245 HydrophobicContact CG-CG1 4.02Å; M243-I245 HydrophobicContact SD-CD1 4.03Å; M243-I245 HydrophobicContact SD-CG1 4.14Å; M243-L272 HydrophobicContact SD-CD1 3.6Å; M243-L272 VanDerWaalsContact SD-CD1 3.6Å
244E94.3Very high89.7Confident93 Ų9365.6 Ų65.644%0.43535%0.352SS..EExtended strand (participates in β ladder)trans-113.3127.2171.5-176157.9167.600109.8A229 R231A229-E244 HydrophobicContact CB-CG 3.57Å; R231-E244 HydrophobicContact CG-CB 4.35Å; R231-E244 HydrophobicContact CG-CG 4Å; R231-E244 IonicContact CZ-OE1 2.84Å; R231-E244 IonicContact CZ-OE2 2.68Å; R231-E244 IonicContact NE-OE1 2.82Å; R231-E244 PolarHBondContact NE-OE1 2.95Å; R231-E244 IonicContact NE-OE2 2.74Å; R231-E244 PolarHBondContact NE-OE2 3.43Å; R231-E244 IonicContact NH2-OE1 3.92Å; R231-E244 PolarHBondContact NH2-OE1 3.47Å; R231-E244 IonicContact NH2-OE2 3.6Å
245I94.5Very high89.8Confident0 Ų068.6 Ų68.60%037%0.365CS..EExtended strand (participates in β ladder)trans-121.7100-179.6-47.5162.5000107.5A229 I230 M243 D249 I250 I262 L272A229-I245 VanDerWaalsContact CA-O 3.29Å; A229-I245 WeakPolarHBondContact CA-O 3.43Å; A229-I245 WeakPolarHBondContact CB-O 2.99Å; I230-I245 PolarHBondContact N-O 2.98Å; I230-I245 PolarHBondContact O-N 3.05Å; M243-I245 HydrophobicContact CG-CD1 4.45Å; M243-I245 HydrophobicContact CG-CG1 4.02Å; M243-I245 HydrophobicContact SD-CD1 4.03Å; M243-I245 HydrophobicContact SD-CG1 4.14Å; I245-D249 HydrophobicContact CG2-CB 4.22Å; I245-I250 HydrophobicContact CB-CD1 4.26Å; I245-I250 HydrophobicContact CG2-CD1 3.81Å; I245-I250 HydrophobicContact CG2-CG1 3.54Å; I245-I262 HydrophobicContact CD1-CD1 3.82Å; I245-L272 HydrophobicContact CD1-CD1 3.37Å; I245-L272 HydrophobicContact CG1-CD1 4.32Å
246P93.6Very high90.2Very high53 Ų5369.6 Ų69.634%0.34437%0.373SS..EExtended strand (participates in β ladder)trans-55.9146.9176.2-25.134.9000111.8N228 G248 D249N228-P246 WeakPolarHBondContact O-CA 3.46Å; P246-G248 PolarHBondContact O-N 2.87Å; P246-D249 WeakPolarHBondContact O-CB 3.21Å; P246-D249 PolarHBondContact O-N 2.98Å
247W91.7Very high90.7Very high3 Ų362.7 Ų62.71%0.01135%0.351CS..G310 helixtrans-59.5-34.7178.1-70122.7000112.9I225 G226 V227 N228 I230 D249 I250 V253 Y292 R293 E296I225-W247 HydrophobicContact CG2-CH2 4Å; I225-W247 HydrophobicContact CG2-CZ2 3.77Å; G226-W247 PolarHBondContact O-NE1 3.39Å; V227-W247 PolarHBondContact O-NE1 3.5Å; N228-W247 VanDerWaalsContact O-CD1 3.29Å; N228-W247 PolarHBondContact O-N 3.24Å; I230-W247 HydrophobicContact CD1-CH2 3.68Å; I230-W247 HydrophobicContact CD1-CZ3 3.62Å; I230-W247 HydrophobicContact CG1-CE3 4.33Å; I230-W247 HydrophobicContact CG1-CH2 3.34Å; I230-W247 HydrophobicContact CG1-CZ2 3.91Å; I230-W247 HydrophobicContact CG1-CZ3 3.61Å; W247-D249 PolarHBondContact O-N 3.11Å; W247-I250 HydrophobicContact CE3-CD1 3.73Å; W247-I250 HydrophobicContact CZ3-CD1 3.97Å; W247-I250 PolarHBondContact O-N 3.23Å; W247-V253 HydrophobicContact CZ3-CG2 4.47Å; W247-Y292 HydrophobicContact CZ2-CG 4.33Å; W247-R293 HydrophobicContact CE3-CB 4.44Å; W247-E296 HydrophobicContact CB-CG 4.48Å; W247-E296 WeakPolarHBondContact CB-OE1 3.4Å; W247-E296 WeakPolarHBondContact CB-OE2 3.34Å
248G89.7Confident91.3Very high42 Ų4266.9 Ų66.943%0.43336%0.362SS..G310 helixtrans-56.8-27.5171.500000115P246 I250 R265 E296P246-G248 PolarHBondContact O-N 2.87Å; G248-I250 VanDerWaalsContact C-N 3.34Å; G248-R265 WeakPolarHBondContact O-CD 3.49Å; G248-E296 PolarHBondContact N-OE1 2.88Å
249D92.2Very high92.3Very high59 Ų5969.7 Ų69.732%0.31637%0.367SS..G310 helixtrans-85-8.2176-79.510.2000112.6I245 P246 W247 R264 R265I245-D249 HydrophobicContact CG2-CB 4.22Å; P246-D249 WeakPolarHBondContact O-CB 3.21Å; P246-D249 PolarHBondContact O-N 2.98Å; W247-D249 PolarHBondContact O-N 3.11Å; D249-R264 CarbonylContact O-C 3.49Å; D249-R264 VanDerWaalsContact O-CA 3.26Å; D249-R264 WeakPolarHBondContact O-CA 3.42Å; D249-R264 IonicContact OD2-NH2 3.58Å; D249-R264 PolarHBondContact OD2-NH2 2.83Å; D249-R265 PolarHBondContact O-N 3.04Å
250I93.6Very high93.4Very high1 Ų165.3 Ų65.31%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-100.9124-174.2-61.1169.8000109.3I230 I245 W247 G248 V253 I262 R265I230-I250 HydrophobicContact CB-CD1 4.27Å; I230-I250 HydrophobicContact CD1-CD1 3.6Å; I230-I250 HydrophobicContact CG1-CD1 3.79Å; I245-I250 HydrophobicContact CB-CD1 4.26Å; I245-I250 HydrophobicContact CG2-CD1 3.81Å; I245-I250 HydrophobicContact CG2-CG1 3.54Å; W247-I250 HydrophobicContact CE3-CD1 3.73Å; W247-I250 HydrophobicContact CZ3-CD1 3.97Å; W247-I250 PolarHBondContact O-N 3.23Å; G248-I250 VanDerWaalsContact C-N 3.34Å; I250-V253 HydrophobicContact CG2-CG2 3.96Å; I250-I262 HydrophobicContact CD1-CG2 4.3Å; I250-I262 HydrophobicContact CG1-CG2 4.04Å; I250-I262 HydrophobicContact CG2-CG2 4.15Å; I250-R265 PolarHBondContact O-NE 3.29Å; I250-R265 PolarHBondContact O-NH2 3.39Å
251Y91Very high94.1Very high146 Ų14660.3 Ų60.357%0.57331%0.305SS*.EExtended strand (participates in β ladder)trans-79.7-50.9170.5176.4-111.1000110.2H263 R293Y251-H263 WeakPolarHBondContact CB-O 3.46Å; Y251-H263 HydrophobicContact CD1-CB 4.3Å; Y251-H263 PolarHBondContact N-O 3.22Å; Y251-R293 PolarHBondContact O-NH1 3.36Å
252Q93.3Very high94.5Very high80 Ų8058 Ų5837%0.37429%0.29SS..EExtended strand (participates in β ladder)trans-157.9144-176.8-174.3176.820.500110.8H263Q252-H263 HydrophobicContact CB-CB 4.43Å; Q252-H263 PolarHBondContact N-O 3.07Å; Q252-H263 WeakPolarHBondContact O-CB 3.44Å; Q252-H263 PolarHBondContact O-N 2.92Å
253V96.1Very high94.6Very high13 Ų1355 Ų558%0.07928%0.276CS..EExtended strand (participates in β ladder)trans-104.9120.1162.2-176.60000107.4I230 W247 I250 V260 I262 I285I230-V253 HydrophobicContact CD1-CG2 3.73Å; W247-V253 HydrophobicContact CZ3-CG2 4.47Å; I250-V253 HydrophobicContact CG2-CG2 3.96Å; V253-V260 HydrophobicContact CG1-CG1 3.67Å; V253-I262 HydrophobicContact CG2-CG1 4.43Å; V253-I285 HydrophobicContact CG1-CG2 4.42Å
254K95.8Very high94.7Very high110 Ų11052.3 Ų52.348%0.47826%0.262SS..EExtended strand (participates in β ladder)trans-120.3134.4-175.4-176.2175.8-178.9176.10111V260 T261K254-V260 CarbonylContact O-C 3.56Å; K254-V260 WeakPolarHBondContact O-CA 3.5Å; K254-T261 PolarHBondContact N-O 2.73Å; K254-T261 PolarHBondContact O-N 2.78Å
255E95.3Very high94.6Very high78 Ų7853.9 Ų53.936%0.36426%0.264SS..EExtended strand (participates in β ladder)trans-98.3144.5171.681.5-70.7-172.800112.2R259 A282 A286E255-R259 CarbonylContact C-O 3.45Å; E255-R259 WeakPolarHBondContact CA-O 3.35Å; E255-A282 HydrophobicContact CB-CB 4.15Å; E255-A286 HydrophobicContact CB-CB 4.07Å; E255-A286 HydrophobicContact CG-CB 4.28Å; E255-A286 VanDerWaalsContact OE2-CB 3.23Å; E255-A286 WeakPolarHBondContact OE2-CB 3.08Å
256S96.1Very high94Very high62 Ų6257.1 Ų57.143%0.43429%0.291SS..EExtended strand (participates in β ladder)trans-148.199.9173.8-174.20000109.4R258 R259S256-R258 PolarHBondContact O-N 3.14Å; S256-R258 VanDerWaalsContact O-N 3.13Å; S256-R259 PolarHBondContact N-O 3.42Å; S256-R259 VanDerWaalsContact O-CB 3.32Å; S256-R259 WeakPolarHBondContact O-CB 3.32Å; S256-R259 PolarHBondContact O-N 2.88Å
257G95.6Very high93.4Very high37 Ų3760.9 Ų60.938%0.38132%0.315SS..THydrogen-bonded Turntrans61.7-116.3-171.800000110.7R279G257-R279 VanDerWaalsContact O-CA 3.3Å; G257-R279 WeakPolarHBondContact O-CA 3.39Å; G257-R279 WeakPolarHBondContact O-CB 3.45Å; G257-R279 WeakPolarHBondContact O-CG 3.35Å
258R96.9Very high93Very high156 Ų15668 Ų6859%0.58934%0.342SS*.THydrogen-bonded Turntrans-90.7-6.2176.1-70.6-171.6-65.9174.61.8113.9S256 T276 E277 R279S256-R258 PolarHBondContact O-N 3.14Å; S256-R258 VanDerWaalsContact O-N 3.13Å; R258-T276 WeakPolarHBondContact CB-O 3.37Å; R258-T276 WeakPolarHBondContact CD-O 3.47Å; R258-T276 PolarHBondContact O-N 2.87Å; R258-T276 PolarHBondContact O-OG1 2.97Å; R258-E277 WeakPolarHBondContact CD-O 3.47Å; R258-R279 HydrophobicContact CG-CB 4.5Å
259R97.6Very high92.7Very high103 Ų10372.6 Ų72.639%0.38935%0.352SS..EExtended strand (participates in β ladder)trans-90136.4-175.3-171.5177.665.9-173.3-3110.5E255 S256 I273 Y274 Y275E255-R259 CarbonylContact C-O 3.45Å; E255-R259 WeakPolarHBondContact CA-O 3.35Å; S256-R259 PolarHBondContact N-O 3.42Å; S256-R259 VanDerWaalsContact O-CB 3.32Å; S256-R259 WeakPolarHBondContact O-CB 3.32Å; S256-R259 PolarHBondContact O-N 2.88Å; R259-I273 HydrophobicContact CG-CG2 3.66Å; R259-Y274 CarbonylContact C-O 3.59Å; R259-Y274 WeakPolarHBondContact CA-O 3.3Å; R259-Y275 HydrophobicContact CB-CD1 4.24Å; R259-Y275 HydrophobicContact CB-CE1 4.2Å; R259-Y275 HydrophobicContact CG-CD1 4.34Å; R259-Y275 HydrophobicContact CG-CE1 4.01Å
260V97.8Very high92.5Very high0 Ų073.7 Ų73.70%036%0.355CS..EExtended strand (participates in β ladder)trans-115.3129.9168179.50000107.5V253 K254 Y274 T276 A282 I285V253-V260 HydrophobicContact CG1-CG1 3.67Å; K254-V260 CarbonylContact O-C 3.56Å; K254-V260 WeakPolarHBondContact O-CA 3.5Å; V260-Y274 PolarHBondContact N-O 2.81Å; V260-Y274 PolarHBondContact O-N 2.84Å; V260-T276 HydrophobicContact CG2-CG2 4.22Å; V260-A282 HydrophobicContact CG2-CB 3.57Å; V260-I285 HydrophobicContact CG1-CG2 3.85Å; V260-I285 HydrophobicContact CG2-CB 4.32Å; V260-I285 HydrophobicContact CG2-CD1 4.17Å; V260-I285 HydrophobicContact CG2-CG2 4.25Å
261T97.3Very high92.5Very high11 Ų1180.1 Ų80.17%0.06738%0.383CS..EExtended strand (participates in β ladder)trans-122.4119179.4-54.80000109.3K254 K271 L272 I273K254-T261 PolarHBondContact N-O 2.73Å; K254-T261 PolarHBondContact O-N 2.78Å; T261-K271 HydrophobicContact CG2-CB 4.03Å; T261-K271 HydrophobicContact CG2-CG 4.47Å; T261-L272 CarbonylContact C-O 3.59Å; T261-L272 WeakPolarHBondContact CA-O 3.37Å; T261-I273 HydrophobicContact CG2-CG1 4.27Å
262I96.6Very high92.6Very high0 Ų074.4 Ų74.40%036%0.363CS..EExtended strand (participates in β ladder)trans-90.5113.5171.7-55.1173.4000107.4F223 I230 I245 I250 V253 K271 L272 Y274F223-I262 HydrophobicContact CE2-CD1 3.75Å; F223-I262 HydrophobicContact CE2-CG1 4.37Å; F223-I262 HydrophobicContact CZ-CD1 3.91Å; F223-I262 HydrophobicContact CZ-CG1 4.38Å; I230-I262 HydrophobicContact CD1-CD1 4.09Å; I230-I262 HydrophobicContact CD1-CG1 4.45Å; I230-I262 HydrophobicContact CG2-CD1 4.11Å; I245-I262 HydrophobicContact CD1-CD1 3.82Å; I250-I262 HydrophobicContact CD1-CG2 4.3Å; I250-I262 HydrophobicContact CG1-CG2 4.04Å; I250-I262 HydrophobicContact CG2-CG2 4.15Å; V253-I262 HydrophobicContact CG2-CG1 4.43Å; I262-K271 WeakPolarHBondContact O-CA 3.27Å; I262-L272 HydrophobicContact CB-CB 4.27Å; I262-L272 PolarHBondContact N-O 2.94Å; I262-L272 PolarHBondContact O-N 3.27Å; I262-Y274 HydrophobicContact CD1-CD2 4.45Å; I262-Y274 HydrophobicContact CD1-CE2 4.14Å
263H95.1Very high92.8Very high40 Ų4073.1 Ų73.119%0.18536%0.358CS..EExtended strand (participates in β ladder)trans-89.8117.5172.2-66.8-95.8000109Y251 Q252Y251-H263 WeakPolarHBondContact CB-O 3.46Å; Y251-H263 HydrophobicContact CD1-CB 4.3Å; Y251-H263 PolarHBondContact N-O 3.22Å; Q252-H263 HydrophobicContact CB-CB 4.43Å; Q252-H263 PolarHBondContact N-O 3.07Å; Q252-H263 WeakPolarHBondContact O-CB 3.44Å; Q252-H263 PolarHBondContact O-N 2.92Å
264R94.4Very high92.9Very high12 Ų1273.3 Ų73.35%0.04536%0.357CS..EExtended strand (participates in β ladder)trans-87.2153177.3-60-17272.7160.38.5111.7D249 R268 E270D249-R264 CarbonylContact O-C 3.49Å; D249-R264 VanDerWaalsContact O-CA 3.26Å; D249-R264 WeakPolarHBondContact O-CA 3.42Å; D249-R264 IonicContact OD2-NH2 3.58Å; D249-R264 PolarHBondContact OD2-NH2 2.83Å; R264-R268 VanDerWaalsContact CZ-NH1 3.33Å; R264-R268 VanDerWaalsContact NH1-CD 3.34Å; R264-R268 VanDerWaalsContact NH2-NH1 3.11Å; R264-E270 HydrophobicContact CB-CG 4.44Å; R264-E270 WeakPolarHBondContact CB-O 3.32Å; R264-E270 VanDerWaalsContact CD-CG 3.5Å; R264-E270 VanDerWaalsContact CD-OE1 3.25Å; R264-E270 WeakPolarHBondContact CD-OE1 3.35Å; R264-E270 HydrophobicContact CG-CG 4.2Å; R264-E270 IonicContact CZ-OE1 3.58Å; R264-E270 PolarHBondContact N-O 2.9Å; R264-E270 VanDerWaalsContact N-O 3.13Å; R264-E270 IonicContact NE-OE1 3.77Å; R264-E270 IonicContact NH1-OE1 2.68Å; R264-E270 PolarHBondContact NH1-OE1 3.26Å
265R91.6Very high93Very high126 Ų12672 Ų7248%0.47535%0.35SS..PPolyproline II helixtrans-78.5165.5172.1-62.9-172.2-169.7-152.30.2110.7G248 D249 I250 R268 E269G248-R265 WeakPolarHBondContact O-CD 3.49Å; D249-R265 PolarHBondContact O-N 3.04Å; I250-R265 PolarHBondContact O-NE 3.29Å; I250-R265 PolarHBondContact O-NH2 3.39Å; R265-R268 PolarHBondContact O-N 3.24Å; R265-E269 PolarHBondContact O-N 2.93Å
266A81.8Confident93Very high68 Ų6868.5 Ų68.556%0.56233%0.334SS*.THydrogen-bonded Turntrans-54.6141.7166.300000110.3E269A266-E269 HydrophobicContact CB-CG 4.13Å
267P82.8Confident93Very high132 Ų13270.6 Ų70.686%0.85734%0.337SS*.THydrogen-bonded Turncis-90.8-7.413.934.9-36.3000115.4
268R83Confident92.9Very high151 Ų15174.9 Ų74.957%0.5734%0.341SS*.THydrogen-bonded Turntrans-77.7-43.5-174.6-66.7-177-168.8-161.58.8112.8R264 R265 E270R264-R268 VanDerWaalsContact CZ-NH1 3.33Å; R264-R268 VanDerWaalsContact NH1-CD 3.34Å; R264-R268 VanDerWaalsContact NH2-NH1 3.11Å; R265-R268 PolarHBondContact O-N 3.24Å; R268-E270 HydrophobicContact CB-CG 4.23Å; R268-E270 PolarHBondContact O-N 2.91Å
269E81.8Confident92.8Very high140 Ų14075.8 Ų75.865%0.65435%0.345SS*.  trans51.53.9-179.7-57.5-168.2165.800117R265 A266R265-E269 PolarHBondContact O-N 2.93Å; A266-E269 HydrophobicContact CB-CG 4.13Å
270E89.8Confident92.5Very high82 Ų8275.4 Ų75.438%0.38335%0.346SS..  trans-68.2155.5178.265.1-177.7177.800112.2R264 R268R264-E270 HydrophobicContact CB-CG 4.44Å; R264-E270 WeakPolarHBondContact CB-O 3.32Å; R264-E270 VanDerWaalsContact CD-CG 3.5Å; R264-E270 VanDerWaalsContact CD-OE1 3.25Å; R264-E270 WeakPolarHBondContact CD-OE1 3.35Å; R264-E270 HydrophobicContact CG-CG 4.2Å; R264-E270 IonicContact CZ-OE1 3.58Å; R264-E270 PolarHBondContact N-O 2.9Å; R264-E270 VanDerWaalsContact N-O 3.13Å; R264-E270 IonicContact NE-OE1 3.77Å; R264-E270 IonicContact NH1-OE1 2.68Å; R264-E270 PolarHBondContact NH1-OE1 3.26Å; R268-E270 HydrophobicContact CB-CG 4.23Å; R268-E270 PolarHBondContact O-N 2.91Å
271K91.7Very high92.4Very high135 Ų13577.2 Ų77.259%0.58736%0.357SS*.EExtended strand (participates in β ladder)trans-112.2118.7176-63.5174.2-170.4166.60108.7T261 I262T261-K271 HydrophobicContact CG2-CB 4.03Å; T261-K271 HydrophobicContact CG2-CG 4.47Å; I262-K271 WeakPolarHBondContact O-CA 3.27Å
272L94.8Very high92.3Very high27 Ų2776.7 Ų76.714%0.14135%0.354CS..EExtended strand (participates in β ladder)trans-94.9127.7174.4-57.1171.2000108.9M243 I245 T261 I262 Y274M243-L272 HydrophobicContact SD-CD1 3.6Å; M243-L272 VanDerWaalsContact SD-CD1 3.6Å; I245-L272 HydrophobicContact CD1-CD1 3.37Å; I245-L272 HydrophobicContact CG1-CD1 4.32Å; T261-L272 CarbonylContact C-O 3.59Å; T261-L272 WeakPolarHBondContact CA-O 3.37Å; I262-L272 HydrophobicContact CB-CB 4.27Å; I262-L272 PolarHBondContact N-O 2.94Å; I262-L272 PolarHBondContact O-N 3.27Å; L272-Y274 HydrophobicContact CB-CE2 3.96Å
273I96.5Very high92.3Very high53 Ų5378.6 Ų78.627%0.27237%0.365SS..EExtended strand (participates in β ladder)trans-114.2128.4-173.3-57.3174.7000109.5R259 T261 Y275R259-I273 HydrophobicContact CG-CG2 3.66Å; T261-I273 HydrophobicContact CG2-CG1 4.27Å; I273-Y275 HydrophobicContact CG2-CE1 4.48Å; I273-Y275 HydrophobicContact CG2-CE2 3.91Å
274Y97.7Very high92.3Very high17 Ų1777.4 Ų77.47%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-129.2151174.6-63.7-82.9000110.3V213 W214 N215 F223 I232 R259 V260 I262 L272V213-Y274 HydrophobicContact CG2-CD1 3.7Å; V213-Y274 HydrophobicContact CG2-CE1 4.46Å; V213-Y274 HydrophobicContact CG2-CG 4.19Å; W214-Y274 CarbonylContact O-C 3.53Å; W214-Y274 VanDerWaalsContact O-CA 3.27Å; W214-Y274 WeakPolarHBondContact O-CA 3.42Å; N215-Y274 HydrophobicContact CB-CD1 4.37Å; N215-Y274 HydrophobicContact CB-CE1 4.23Å; F223-Y274 HydrophobicContact CD2-CD2 4.24Å; F223-Y274 HydrophobicContact CD2-CG 4.39Å; F223-Y274 HydrophobicContact CE2-CD2 4.02Å; F223-Y274 HydrophobicContact CE2-CE2 4.4Å; I232-Y274 HydrophobicContact CD1-CE1 4.24Å; I232-Y274 HydrophobicContact CD1-CE2 4.12Å; I232-Y274 WeakPolarHBondContact CG1-OH 3.24Å; I232-Y274 HydrophobicContact CG2-CE1 4.36Å; R259-Y274 CarbonylContact C-O 3.59Å; R259-Y274 WeakPolarHBondContact CA-O 3.3Å; V260-Y274 PolarHBondContact N-O 2.81Å; V260-Y274 PolarHBondContact O-N 2.84Å; I262-Y274 HydrophobicContact CD1-CD2 4.45Å; I262-Y274 HydrophobicContact CD1-CE2 4.14Å; L272-Y274 HydrophobicContact CB-CE2 3.96Å
275Y97.9Very high92.4Very high83 Ų8376.8 Ų76.833%0.32536%0.358SS..EExtended strand (participates in β ladder)trans-114.9146.1177-58.9-86.8000109.6V213 W214 D216 R259 I273V213-Y275 CarbonylContact C-O 3.5Å; V213-Y275 WeakPolarHBondContact CA-O 3.33Å; V213-Y275 WeakPolarHBondContact CB-O 3.16Å; W214-Y275 PolarHBondContact N-O 3.33Å; W214-Y275 PolarHBondContact O-N 3.37Å; D216-Y275 WeakPolarHBondContact OD1-CE2 3.41Å; D216-Y275 PolarHBondContact OD1-OH 3.05Å; R259-Y275 HydrophobicContact CB-CD1 4.24Å; R259-Y275 HydrophobicContact CB-CE1 4.2Å; R259-Y275 HydrophobicContact CG-CD1 4.34Å; R259-Y275 HydrophobicContact CG-CE1 4.01Å; I273-Y275 HydrophobicContact CG2-CE1 4.48Å; I273-Y275 HydrophobicContact CG2-CE2 3.91Å
276T97.2Very high92.6Very high4 Ų471.2 Ų71.23%0.02534%0.339CS..  trans-115156.4175.557.80000109.5V213 R258 V260 R278 T281 A282 I285V213-T276 HydrophobicContact CG1-CG2 4.12Å; R258-T276 WeakPolarHBondContact CB-O 3.37Å; R258-T276 WeakPolarHBondContact CD-O 3.47Å; R258-T276 PolarHBondContact O-N 2.87Å; R258-T276 PolarHBondContact O-OG1 2.97Å; V260-T276 HydrophobicContact CG2-CG2 4.22Å; T276-R278 PolarHBondContact O-N 3.43Å; T276-R278 PolarHBondContact OG1-O 3.16Å; T276-T281 HydrophobicContact CG2-CG2 4.01Å; T276-A282 HydrophobicContact CG2-CB 4.11Å; T276-A282 WeakPolarHBondContact OG1-CB 3.46Å; T276-I285 HydrophobicContact CG2-CD1 3.77Å
277E94.9Very high93.2Very high106 Ų10669 Ų6950%0.49532%0.317SS..SBendtrans-59.5-39.3176.1-170.7-157.2135.900110.6W214 R258W214-E277 HydrophobicContact CH2-CB 4.12Å; W214-E277 HydrophobicContact CZ3-CB 4Å; R258-E277 WeakPolarHBondContact CD-O 3.47Å
278R93.9Very high93.6Very high126 Ų12662.7 Ų62.748%0.47528%0.276SS..SBendtrans-130.8139.4-171.5-58.1178.5-173.8-173.81.6111.1T276 K280 T281 A282T276-R278 PolarHBondContact O-N 3.43Å; T276-R278 PolarHBondContact OG1-O 3.16Å; R278-K280 PolarHBondContact O-N 2.71Å; R278-K280 VanDerWaalsContact O-N 3.12Å; R278-T281 WeakPolarHBondContact O-CB 3.3Å; R278-T281 PolarHBondContact O-N 2.83Å; R278-A282 PolarHBondContact O-N 2.82Å
279R94.8Very high94.1Very high176 Ų17655.6 Ų55.666%0.66425%0.249SC*.Hα-helixtrans-51.2-40174.8169.7174.6-178-167.30.9112.7G257 R258 T281 A282 T283G257-R279 VanDerWaalsContact O-CA 3.3Å; G257-R279 WeakPolarHBondContact O-CA 3.39Å; G257-R279 WeakPolarHBondContact O-CB 3.45Å; G257-R279 WeakPolarHBondContact O-CG 3.35Å; R258-R279 HydrophobicContact CG-CB 4.5Å; R279-T281 VanDerWaalsContact C-N 3.3Å; R279-T281 PolarHBondContact O-N 2.99Å; R279-A282 PolarHBondContact O-N 2.97Å; R279-T283 PolarHBondContact O-N 2.92Å; R279-T283 PolarHBondContact O-OG1 3.07Å
280K92.2Very high94.6Very high94 Ų9453.1 Ų53.141%0.40924%0.238SC..Hα-helixtrans-59.6-40.5178.3-71.7-174.4172.8177.20111.8D57 R278 A282 T283 Q284D57-K280 IonicContact OD2-NZ 3.24Å; D57-K280 PolarHBondContact OD2-NZ 2.76Å; R278-K280 PolarHBondContact O-N 2.71Å; R278-K280 VanDerWaalsContact O-N 3.12Å; K280-A282 PolarHBondContact O-N 3.35Å; K280-T283 WeakPolarHBondContact O-CB 3.47Å; K280-T283 PolarHBondContact O-N 2.71Å; K280-Q284 VanDerWaalsContact O-CG 3.27Å; K280-Q284 WeakPolarHBondContact O-CG 3.46Å; K280-Q284 PolarHBondContact O-N 3.31Å
281T94Very high94.5Very high39 Ų3949.5 Ų49.524%0.23922%0.221CC..Hα-helixtrans-62.7-42.9177.2-50.30000111.3F211 T276 R278 R279 T283 Q284 I285F211-T281 HydrophobicContact CD1-CG2 3.88Å; T276-T281 HydrophobicContact CG2-CG2 4.01Å; R278-T281 WeakPolarHBondContact O-CB 3.3Å; R278-T281 PolarHBondContact O-N 2.83Å; R279-T281 VanDerWaalsContact C-N 3.3Å; R279-T281 PolarHBondContact O-N 2.99Å; T281-T283 VanDerWaalsContact C-N 3.34Å; T281-T283 PolarHBondContact O-N 2.82Å; T281-Q284 WeakPolarHBondContact O-CB 3.21Å; T281-Q284 PolarHBondContact O-N 3.12Å; T281-I285 HydrophobicContact CG2-CD1 4.41Å; T281-I285 WeakPolarHBondContact O-CG1 3.39Å; T281-I285 PolarHBondContact O-N 3.24Å
282A96.5Very high94.2Very high0 Ų043.1 Ų43.10%019%0.194CC..Hα-helixtrans-60.2-43.3174.200000112.1E255 V260 T276 R278 R279 K280 Q284 I285 A286E255-A282 HydrophobicContact CB-CB 4.15Å; V260-A282 HydrophobicContact CG2-CB 3.57Å; T276-A282 HydrophobicContact CG2-CB 4.11Å; T276-A282 WeakPolarHBondContact OG1-CB 3.46Å; R278-A282 PolarHBondContact O-N 2.82Å; R279-A282 PolarHBondContact O-N 2.97Å; K280-A282 PolarHBondContact O-N 3.35Å; A282-Q284 VanDerWaalsContact C-N 3.34Å; A282-Q284 PolarHBondContact O-N 3.22Å; A282-I285 PolarHBondContact O-N 3.39Å; A282-A286 PolarHBondContact O-N 2.97Å; A282-A286 VanDerWaalsContact O-N 3.1Å
283T96.1Very high93.6Very high39 Ų3944.8 Ų44.824%0.23920%0.198CC..Hα-helixtrans-61.3-41.4174.3-57.30000111.9R279 K280 T281 I285 A286 I287R279-T283 PolarHBondContact O-N 2.92Å; R279-T283 PolarHBondContact O-OG1 3.07Å; K280-T283 WeakPolarHBondContact O-CB 3.47Å; K280-T283 PolarHBondContact O-N 2.71Å; T281-T283 VanDerWaalsContact C-N 3.34Å; T281-T283 PolarHBondContact O-N 2.82Å; T283-I285 PolarHBondContact O-N 2.92Å; T283-A286 PolarHBondContact O-N 3.17Å; T283-I287 HydrophobicContact CG2-CD1 3.84Å; T283-I287 HydrophobicContact CG2-CG1 4.39Å; T283-I287 VanDerWaalsContact O-CG1 3.27Å; T283-I287 WeakPolarHBondContact O-CG1 3.47Å; T283-I287 PolarHBondContact O-N 3.05Å
284Q95.2Very high92.8Very high15 Ų1545.6 Ų45.67%0.0720%0.201CC..Hα-helixtrans-61.8-42.8176.3-69.7-59.5-6900112.3W64 F211 K280 T281 A282 A286 I287 L288W64-Q284 VanDerWaalsContact CB-OE1 3.28Å; W64-Q284 VanDerWaalsContact CD1-OE1 3.31Å; W64-Q284 PolarHBondContact O-NE2 2.98Å; F211-Q284 HydrophobicContact CE1-CB 4.31Å; K280-Q284 VanDerWaalsContact O-CG 3.27Å; K280-Q284 WeakPolarHBondContact O-CG 3.46Å; K280-Q284 PolarHBondContact O-N 3.31Å; T281-Q284 WeakPolarHBondContact O-CB 3.21Å; T281-Q284 PolarHBondContact O-N 3.12Å; A282-Q284 VanDerWaalsContact C-N 3.34Å; A282-Q284 PolarHBondContact O-N 3.22Å; Q284-A286 PolarHBondContact O-N 3.44Å; Q284-I287 PolarHBondContact O-N 3.39Å; Q284-L288 WeakPolarHBondContact O-CB 3.44Å; Q284-L288 WeakPolarHBondContact O-CG 3.32Å; Q284-L288 PolarHBondContact O-N 2.83Å
285I96Very high91.7Very high0 Ų045.1 Ų45.10%020%0.199CC..Hα-helixtrans-60.3-45.6176.7-71.1167.4000111F211 V213 F223 I225 V253 V260 T276 T281 A282 T283 S289F211-I285 HydrophobicContact CB-CD1 3.82Å; F211-I285 HydrophobicContact CB-CG1 4.05Å; F211-I285 HydrophobicContact CD1-CD1 4.42Å; F211-I285 HydrophobicContact CD1-CG1 3.95Å; F211-I285 HydrophobicContact CD2-CD1 4.43Å; F211-I285 HydrophobicContact CD2-CG1 3.74Å; F211-I285 HydrophobicContact CE1-CG1 4.39Å; F211-I285 HydrophobicContact CE2-CG1 4.22Å; F211-I285 HydrophobicContact CG-CD1 3.96Å; F211-I285 HydrophobicContact CG-CG1 3.61Å; V213-I285 HydrophobicContact CG1-CD1 3.93Å; F223-I285 HydrophobicContact CD1-CG2 4.16Å; F223-I285 HydrophobicContact CE1-CG2 3.57Å; F223-I285 HydrophobicContact CZ-CG2 3.78Å; I225-I285 HydrophobicContact CD1-CB 4.47Å; I225-I285 HydrophobicContact CD1-CG2 4.17Å; V253-I285 HydrophobicContact CG1-CG2 4.42Å; V260-I285 HydrophobicContact CG1-CG2 3.85Å; V260-I285 HydrophobicContact CG2-CB 4.32Å; V260-I285 HydrophobicContact CG2-CD1 4.17Å; V260-I285 HydrophobicContact CG2-CG2 4.25Å; T276-I285 HydrophobicContact CG2-CD1 3.77Å; T281-I285 HydrophobicContact CG2-CD1 4.41Å; T281-I285 WeakPolarHBondContact O-CG1 3.39Å; T281-I285 PolarHBondContact O-N 3.24Å; A282-I285 PolarHBondContact O-N 3.39Å; T283-I285 PolarHBondContact O-N 2.92Å; I285-S289 VanDerWaalsContact O-CB 3.24Å; I285-S289 WeakPolarHBondContact O-CB 3.37Å; I285-S289 PolarHBondContact O-N 3.13Å; I285-S289 PolarHBondContact O-OG 2.87Å
286A95.8Very high90.5Very high9 Ų944 Ų447%0.07420%0.197CC..Hα-helixtrans-64-47.3179.100000112.2E255 A282 T283 Q284 L288 S289 E290E255-A286 HydrophobicContact CB-CB 4.07Å; E255-A286 HydrophobicContact CG-CB 4.28Å; E255-A286 VanDerWaalsContact OE2-CB 3.23Å; E255-A286 WeakPolarHBondContact OE2-CB 3.08Å; A282-A286 PolarHBondContact O-N 2.97Å; A282-A286 VanDerWaalsContact O-N 3.1Å; T283-A286 PolarHBondContact O-N 3.17Å; Q284-A286 PolarHBondContact O-N 3.44Å; A286-L288 PolarHBondContact O-N 2.86Å; A286-S289 PolarHBondContact O-N 3.35Å; A286-E290 PolarHBondContact O-N 3.49Å
287I94Very high89.2Confident20 Ų2049.1 Ų49.110%0.10322%0.22CC..Hα-helixtrans-57.4-49.2177-69.2171.5000110.8W64 A66 T283 Q284 S289 E290 D291W64-I287 HydrophobicContact CB-CG2 4.36Å; A66-I287 HydrophobicContact CB-CD1 4.15Å; A66-I287 HydrophobicContact CB-CG1 4.01Å; A66-I287 HydrophobicContact CB-CG2 4.34Å; T283-I287 HydrophobicContact CG2-CD1 3.84Å; T283-I287 HydrophobicContact CG2-CG1 4.39Å; T283-I287 VanDerWaalsContact O-CG1 3.27Å; T283-I287 WeakPolarHBondContact O-CG1 3.47Å; T283-I287 PolarHBondContact O-N 3.05Å; Q284-I287 PolarHBondContact O-N 3.39Å; I287-S289 VanDerWaalsContact C-N 3.33Å; I287-S289 PolarHBondContact O-N 3.1Å; I287-E290 PolarHBondContact O-N 3.49Å; I287-D291 WeakPolarHBondContact O-CB 3.32Å; I287-D291 PolarHBondContact O-N 3.32Å
288L92.5Very high87.9Confident0 Ų047.9 Ų47.90%022%0.217CC..Hα-helixtrans-68.6-34.6-177.8-73.2167.6000112.4W64 L209 F211 I225 Q284 A286 D291 Y292W64-L288 HydrophobicContact CB-CD2 4.45Å; W64-L288 HydrophobicContact CD2-CD2 4.19Å; W64-L288 HydrophobicContact CG-CD2 3.87Å; W64-L288 HydrophobicContact CG-CG 4.32Å; L209-L288 HydrophobicContact CD1-CD1 3.68Å; L209-L288 HydrophobicContact CD1-CD2 3.68Å; L209-L288 HydrophobicContact CD1-CG 4.17Å; F211-L288 HydrophobicContact CE1-CD1 4.47Å; F211-L288 HydrophobicContact CE2-CD1 3.9Å; F211-L288 HydrophobicContact CZ-CD1 3.39Å; I225-L288 HydrophobicContact CD1-CB 3.75Å; Q284-L288 WeakPolarHBondContact O-CB 3.44Å; Q284-L288 WeakPolarHBondContact O-CG 3.32Å; Q284-L288 PolarHBondContact O-N 2.83Å; A286-L288 PolarHBondContact O-N 2.86Å; L288-D291 WeakPolarHBondContact O-CB 3.46Å; L288-D291 PolarHBondContact O-N 3.48Å; L288-Y292 WeakPolarHBondContact O-CD2 3.36Å; L288-Y292 PolarHBondContact O-N 3.47Å
289S93.6Very high86.6Confident2 Ų244 Ų441%0.01420%0.204CC..Hα-helixtrans-66.2-40.8176.5-63.60000111.5I285 A286 I287 D291 Y292 R293I285-S289 VanDerWaalsContact O-CB 3.24Å; I285-S289 WeakPolarHBondContact O-CB 3.37Å; I285-S289 PolarHBondContact O-N 3.13Å; I285-S289 PolarHBondContact O-OG 2.87Å; A286-S289 PolarHBondContact O-N 3.35Å; I287-S289 VanDerWaalsContact C-N 3.33Å; I287-S289 PolarHBondContact O-N 3.1Å; S289-D291 VanDerWaalsContact C-N 3.35Å; S289-Y292 PolarHBondContact O-N 3.3Å; S289-R293 WeakPolarHBondContact O-CB 3.44Å; S289-R293 PolarHBondContact O-N 2.88Å
290E90.7Very high85.1Confident89 Ų8941.8 Ų41.842%0.41620%0.197SC..Hα-helixtrans-62.1-44.5172-170.261.9-135.200111.6A286 I287 Y292 R293 E294A286-E290 PolarHBondContact O-N 3.49Å; I287-E290 PolarHBondContact O-N 3.49Å; E290-Y292 PolarHBondContact O-N 2.97Å; E290-R293 PolarHBondContact O-N 3.12Å; E290-R293 IonicContact OE1-CZ 3.28Å; E290-R293 IonicContact OE1-NE 3.9Å; E290-R293 PolarHBondContact OE1-NE 3.31Å; E290-R293 IonicContact OE1-NH2 2.98Å; E290-R293 PolarHBondContact OE1-NH2 3.01Å; E290-R293 IonicContact OE2-CZ 3.37Å; E290-R293 VanDerWaalsContact OE2-CZ 3.22Å; E290-R293 IonicContact OE2-NE 3.85Å; E290-R293 IonicContact OE2-NH1 2.67Å; E290-R293 IonicContact OE2-NH2 2.62Å; E290-R293 PolarHBondContact OE2-NH2 3.07Å; E290-E294 PolarHBondContact O-N 3.26Å
291D87.7Confident83.4Confident6 Ų641.3 Ų41.33%0.03220%0.198CC..Hα-helixtrans-58.2-43178.6-88.1-2.9000112.9N89 R90 I287 L288 S289N89-D291 PolarHBondContact ND2-OD2 2.92Å; R90-D291 HydrophobicContact CG-CB 4.29Å; R90-D291 IonicContact CZ-OD1 2.63Å; R90-D291 PolarHBondContact NE-O 2.91Å; R90-D291 IonicContact NE-OD1 3.74Å; R90-D291 IonicContact NE-OD2 3.38Å; R90-D291 IonicContact NH2-OD1 2.66Å; R90-D291 PolarHBondContact NH2-OD1 3Å; R90-D291 IonicContact NH2-OD2 3.22Å; I287-D291 WeakPolarHBondContact O-CB 3.32Å; I287-D291 PolarHBondContact O-N 3.32Å; L288-D291 WeakPolarHBondContact O-CB 3.46Å; L288-D291 PolarHBondContact O-N 3.48Å; S289-D291 VanDerWaalsContact C-N 3.35Å
292Y85.8Confident81.7Confident1 Ų144.6 Ų44.60%0.00422%0.221CC..Hα-helixtrans-74.2-35.7178.2-90.3-92.9000112.4N89 R90 F91 G207 L209 I225 G226 V227 W247 L288 S289 E290 E294 V295 E296N89-Y292 WeakPolarHBondContact O-CE2 3.4Å; N89-Y292 PolarHBondContact O-OH 3.33Å; R90-Y292 HydrophobicContact CG-CD2 4.34Å; R90-Y292 HydrophobicContact CG-CE2 4.46Å; F91-Y292 WeakPolarHBondContact CD2-OH 3.23Å; G207-Y292 PolarHBondContact O-OH 3.34Å; L209-Y292 HydrophobicContact CD1-CE2 3.95Å; I225-Y292 HydrophobicContact CG2-CD2 3.59Å; I225-Y292 HydrophobicContact CG2-CE2 3.99Å; I225-Y292 HydrophobicContact CG2-CG 4.02Å; G226-Y292 VanDerWaalsContact C-CD1 3.4Å; G226-Y292 WeakPolarHBondContact O-CD1 3.48Å; V227-Y292 HydrophobicContact CB-CE1 4.49Å; W247-Y292 HydrophobicContact CZ2-CG 4.33Å; L288-Y292 WeakPolarHBondContact O-CD2 3.36Å; L288-Y292 PolarHBondContact O-N 3.47Å; S289-Y292 PolarHBondContact O-N 3.3Å; E290-Y292 PolarHBondContact O-N 2.97Å; Y292-E294 VanDerWaalsContact C-N 3.29Å; Y292-E294 PolarHBondContact O-N 3.44Å; Y292-V295 WeakPolarHBondContact O-CB 3.38Å; Y292-V295 PolarHBondContact O-N 2.73Å; Y292-V295 VanDerWaalsContact O-N 3.1Å; Y292-E296 PolarHBondContact O-N 3.45Å
293R83.2Confident79.6Confident61 Ų6151.7 Ų51.723%0.2325%0.254CS..Hα-helixtrans-62.7-36.2174.5-168.9177.769.9179.13.8112.4W247 Y251 S289 E290 V295 H297W247-R293 HydrophobicContact CE3-CB 4.44Å; Y251-R293 PolarHBondContact O-NH1 3.36Å; S289-R293 WeakPolarHBondContact O-CB 3.44Å; S289-R293 PolarHBondContact O-N 2.88Å; E290-R293 PolarHBondContact O-N 3.12Å; E290-R293 IonicContact OE1-CZ 3.28Å; E290-R293 IonicContact OE1-NE 3.9Å; E290-R293 PolarHBondContact OE1-NE 3.31Å; E290-R293 IonicContact OE1-NH2 2.98Å; E290-R293 PolarHBondContact OE1-NH2 3.01Å; E290-R293 IonicContact OE2-CZ 3.37Å; E290-R293 VanDerWaalsContact OE2-CZ 3.22Å; E290-R293 IonicContact OE2-NE 3.85Å; E290-R293 IonicContact OE2-NH1 2.67Å; E290-R293 IonicContact OE2-NH2 2.62Å; E290-R293 PolarHBondContact OE2-NH2 3.07Å; R293-V295 VanDerWaalsContact C-N 3.3Å; R293-V295 PolarHBondContact O-N 3.05Å; R293-H297 WeakPolarHBondContact O-CB 3.29Å; R293-H297 PolarHBondContact O-N 2.97Å; R293-H297 VanDerWaalsContact O-N 3.11Å
294E78.8Confident77.1Confident71 Ų7157.3 Ų57.333%0.33227%0.271SS..Hα-helixtrans-61.3-39.3173-170.8-176-171.100111.5R90 E290 Y292 H297 L298R90-E294 IonicContact CZ-OE2 3.41Å; R90-E294 IonicContact NH2-OE2 3.92Å; R90-E294 PolarHBondContact NH2-OE2 3.41Å; E290-E294 PolarHBondContact O-N 3.26Å; Y292-E294 VanDerWaalsContact C-N 3.29Å; Y292-E294 PolarHBondContact O-N 3.44Å; E294-H297 PolarHBondContact O-N 2.97Å; E294-L298 HydrophobicContact CG-CD1 4.44Å; E294-L298 VanDerWaalsContact O-CG 3.3Å; E294-L298 WeakPolarHBondContact O-CG 3.39Å; E294-L298 PolarHBondContact O-N 3.5Å
295V74.9Confident74.3Confident6 Ų662.3 Ų62.34%0.03631%0.305CS..Hα-helixtrans-68.2-47.7178.6174.50000111.7R90 P92 Y292 R293 H297 L298 E299R90-V295 HydrophobicContact CB-CG2 3.83Å; R90-V295 HydrophobicContact CG-CG2 3.85Å; P92-V295 HydrophobicContact CB-CG1 4.05Å; P92-V295 HydrophobicContact CG-CG1 4.09Å; Y292-V295 WeakPolarHBondContact O-CB 3.38Å; Y292-V295 PolarHBondContact O-N 2.73Å; Y292-V295 VanDerWaalsContact O-N 3.1Å; R293-V295 VanDerWaalsContact C-N 3.3Å; R293-V295 PolarHBondContact O-N 3.05Å; V295-H297 VanDerWaalsContact C-N 3.25Å; V295-H297 PolarHBondContact O-N 3.1Å; V295-L298 PolarHBondContact O-N 3.42Å; V295-L298 VanDerWaalsContact O-N 3.08Å; V295-E299 HydrophobicContact CG1-CG 4.32Å; V295-E299 WeakPolarHBondContact O-CG 3.43Å; V295-E299 PolarHBondContact O-N 3Å
296E72.4Confident71.9Confident61 Ų6172 Ų7229%0.28535%0.347SS..Hα-helixtrans-54.8-45.6176-174.8-162.9-146.500110.7W247 G248 Y292 L298 E299 Y300W247-E296 HydrophobicContact CB-CG 4.48Å; W247-E296 WeakPolarHBondContact CB-OE1 3.4Å; W247-E296 WeakPolarHBondContact CB-OE2 3.34Å; G248-E296 PolarHBondContact N-OE1 2.88Å; Y292-E296 PolarHBondContact O-N 3.45Å; E296-L298 VanDerWaalsContact C-N 3.35Å; E296-L298 PolarHBondContact O-N 3.32Å; E296-E299 PolarHBondContact O-N 3.05Å; E296-Y300 VanDerWaalsContact O-CB 3.31Å; E296-Y300 WeakPolarHBondContact O-CB 2.96Å; E296-Y300 PolarHBondContact O-N 3.08Å
297H70.6Confident69.1Low110 Ų11082.9 Ų82.951%0.50939%0.386SS..Hα-helixtrans-61.2-41.1177.5178.9-101.9000112.6R293 E294 V295 I301R293-H297 WeakPolarHBondContact O-CB 3.29Å; R293-H297 PolarHBondContact O-N 2.97Å; R293-H297 VanDerWaalsContact O-N 3.11Å; E294-H297 PolarHBondContact O-N 2.97Å; V295-H297 VanDerWaalsContact C-N 3.25Å; V295-H297 PolarHBondContact O-N 3.1Å; H297-I301 WeakPolarHBondContact CE1-CD1 3.31Å; H297-I301 WeakPolarHBondContact O-CG1 3.48Å; H297-I301 PolarHBondContact O-N 3.47Å
298L67Low66.1Low80 Ų8090.9 Ų90.942%0.41942%0.423SS..Hα-helixtrans-66.1-42.4176-71.4171.7000112.1E294 V295 E296 I301 C302E294-L298 HydrophobicContact CG-CD1 4.44Å; E294-L298 VanDerWaalsContact O-CG 3.3Å; E294-L298 WeakPolarHBondContact O-CG 3.39Å; E294-L298 PolarHBondContact O-N 3.5Å; V295-L298 PolarHBondContact O-N 3.42Å; V295-L298 VanDerWaalsContact O-N 3.08Å; E296-L298 VanDerWaalsContact C-N 3.35Å; E296-L298 PolarHBondContact O-N 3.32Å; L298-I301 PolarHBondContact O-N 3.49Å; L298-C302 PolarHBondContact O-N 3.46Å; L298-C302 VanDerWaalsContact O-N 3.14Å; L298-C302 PolarHBondContact O-SG 3.32Å; L298-C302 VanDerWaalsContact O-SG 3.36Å
299E66.9Low63.4Low44 Ų4499 Ų9921%0.20646%0.461CS..Hα-helixtrans-64.7-42.4176.5-69.4-167.315100111.8P92 V295 E296 C302 Q303P92-E299 WeakPolarHBondContact CB-OE1 3.41Å; V295-E299 HydrophobicContact CG1-CG 4.32Å; V295-E299 WeakPolarHBondContact O-CG 3.43Å; V295-E299 PolarHBondContact O-N 3Å; E296-E299 PolarHBondContact O-N 3.05Å; E299-C302 PolarHBondContact O-N 2.99Å; E299-Q303 WeakPolarHBondContact O-CG 3.18Å; E299-Q303 PolarHBondContact O-N 3.28Å
300Y63.8Low60.5Low130 Ų130104.8 Ų104.851%0.5150%0.498SS..Hα-helixtrans-61.6-43.5176177.4-97.1000112.3E296 C302 Q303 R304E296-Y300 VanDerWaalsContact O-CB 3.31Å; E296-Y300 WeakPolarHBondContact O-CB 2.96Å; E296-Y300 PolarHBondContact O-N 3.08Å; Y300-C302 VanDerWaalsContact C-N 3.32Å; Y300-C302 PolarHBondContact O-N 3.34Å; Y300-Q303 PolarHBondContact O-N 3.36Å; Y300-R304 PolarHBondContact O-N 3.14Å; Y300-R304 PolarHBondContact OH-NH2 3.44Å
301I56.4Low57.9Low85 Ų85107.8 Ų107.844%0.43652%0.523SS..Hα-helixtrans-62.1-40.6176.1-73.5173.3000111.3H297 L298 Q303 R304H297-I301 WeakPolarHBondContact CE1-CD1 3.31Å; H297-I301 WeakPolarHBondContact O-CG1 3.48Å; H297-I301 PolarHBondContact O-N 3.47Å; L298-I301 PolarHBondContact O-N 3.49Å; I301-Q303 PolarHBondContact O-N 3.32Å; I301-R304 PolarHBondContact O-N 3.26Å
302C56.8Low55.3Low107 Ų107110.4 Ų110.472%0.72355%0.552SS**Hα-helixtrans-64.9-25178.6-73.80000113.4L298 E299 Y300L298-C302 PolarHBondContact O-N 3.46Å; L298-C302 VanDerWaalsContact O-N 3.14Å; L298-C302 PolarHBondContact O-SG 3.32Å; L298-C302 VanDerWaalsContact O-SG 3.36Å; E299-C302 PolarHBondContact O-N 2.99Å; Y300-C302 VanDerWaalsContact C-N 3.32Å; Y300-C302 PolarHBondContact O-N 3.34Å
303Q53.4Low52.7Low150 Ų150120 Ų12070%0.70159%0.593SS**Hα-helixtrans-85.3-13.5178.4-68.117532.700113.8E299 Y300 I301 P305E299-Q303 WeakPolarHBondContact O-CG 3.18Å; E299-Q303 PolarHBondContact O-N 3.28Å; Y300-Q303 PolarHBondContact O-N 3.36Å; I301-Q303 PolarHBondContact O-N 3.32Å; Q303-P305 WeakPolarHBondContact O-CD 3.34Å
304R44.6Very low50.2Low156 Ų156122.1 Ų122.159%0.58962%0.624SS**SBendtrans-63.3128.1177.6-78.4-170170.7-175.1-2.2110.2Y300 I301 K306Y300-R304 PolarHBondContact O-N 3.14Å; Y300-R304 PolarHBondContact OH-NH2 3.44Å; I301-R304 PolarHBondContact O-N 3.26Å; R304-K306 PolarHBondContact O-N 3.08Å; R304-K306 VanDerWaalsContact O-N 3.16Å
305P36Very low48Very low120 Ų120125.5 Ų125.578%0.77965%0.649SS**  trans-53.2126.2169.2-2129.9000108.5Q303 R307Q303-P305 WeakPolarHBondContact O-CD 3.34Å; P305-R307 PolarHBondContact O-N 3.41Å
306K44.9Very low45.9Very low203 Ų203134.5 Ų134.588%0.88369%0.688SS**  trans-53111.7171.3-72.4-176.9179.7178.60106.5R304 Q308R304-K306 PolarHBondContact O-N 3.08Å; R304-K306 VanDerWaalsContact O-N 3.16Å; K306-Q308 PolarHBondContact O-N 2.77Å
307R36.6Very low43.9Very low239 Ų239140 Ų14090%0.90272%0.719SS**  trans-49.7114.4173-120.4179178.8179.9-1106.1P305 Q309P305-R307 PolarHBondContact O-N 3.41Å; R307-Q309 PolarHBondContact O-N 2.92Å
308Q32Very low42.1Very low188 Ų188138 Ų13888%0.87973%0.728SS**  trans-56.4110169-72.1-178.2100105.3K306K306-Q308 PolarHBondContact O-N 2.77Å
309Q36.2Very low40.7Very low170 Ų170144.7 Ų144.779%0.79475%0.754SS**  trans-61.5134.2174.1-73.3-172.65.300106.7R307 T311R307-Q309 PolarHBondContact O-N 2.92Å; Q309-T311 PolarHBondContact O-N 3.33Å; Q309-T311 VanDerWaalsContact O-N 3.1Å
310P32.4Very low38.9Very low123 Ų123147.3 Ų147.380%0.79978%0.777SS**  trans-55.2123.4177.2-19.930.1000108.5G312P310-G312 PolarHBondContact O-N 2.83Å
311T34.7Very low37.9Very low152 Ų152149.6 Ų149.693%0.93379%0.79SS**  trans-68.278.117449.60000108.5Q309Q309-T311 PolarHBondContact O-N 3.33Å; Q309-T311 VanDerWaalsContact O-N 3.1Å
312G33Very low36.9Very low62 Ų62149.1 Ų149.164%0.63979%0.791SS**  trans-122.592.8-17300000111.9P310P310-G312 PolarHBondContact O-N 2.83Å
313K31.7Very low35.8Very low202 Ų202150.9 Ų150.988%0.87879%0.79SS**  trans57.6117.7157.9-62.9-177.7179.8177.80118.4V315K313-V315 PolarHBondContact O-N 2.83Å; K313-V315 VanDerWaalsContact O-N 3.13Å
314A30.4Very low35Very low105 Ų105153 Ų15387%0.86879%0.791SS**  trans-48.7108176.300000113.2
315V33.3Very low34.5Very low143 Ų143149.6 Ų149.687%0.86779%0.785SS**  trans-82.1117.8161.7177.80000107.3K313K313-V315 PolarHBondContact O-N 2.83Å; K313-V315 VanDerWaalsContact O-N 3.13Å
316K30.2Very low34.6Very low194 Ų194148.9 Ų148.984%0.84377%0.774SS**  trans-57.3141.8-178.8-70.8177.9174.9179.20111.8G318K316-G318 PolarHBondContact O-N 2.88Å; K316-G318 VanDerWaalsContact O-N 3.07Å
317N30.6Very low33.8Very low178 Ų178143.3 Ų143.395%0.95275%0.754SS**  trans-22.597.5169.7-66.5-23.1000115.4
318G33.4Very low33.6Very low67 Ų67136.7 Ų136.769%0.69174%0.736SS**  trans-132.5102.4161.600000108.5K316 S320K316-G318 PolarHBondContact O-N 2.88Å; K316-G318 VanDerWaalsContact O-N 3.07Å; G318-S320 VanDerWaalsContact C-N 3.31Å; G318-S320 PolarHBondContact O-N 2.92Å
319K38.1Very low33.5Very low220 Ų220135.5 Ų135.596%0.95773%0.73SS**  trans-67.691.3170.6-77.6179179.8174.60108.5
320S29.5Very low33.2Very low100 Ų100130.6 Ų130.670%0.69972%0.718SS**  trans-135.7103.6155.2-91.50000106.9G318 T322G318-S320 VanDerWaalsContact C-N 3.31Å; G318-S320 PolarHBondContact O-N 2.92Å; S320-T322 PolarHBondContact O-N 2.8Å
321K41.9Very low33.2Very low177 Ų177131.8 Ų131.877%0.7771%0.711SS**  trans-62.6104.2171.8-67.7-179.7179.4-178.20106.1D325K321-D325 HydrophobicContact CB-CB 4.48Å
322T34.6Very low32.8Very low75 Ų75127.7 Ų127.746%0.4670%0.699SS.*  trans-65.2157.1178.260.50000108.9S320 R324 D325 L326S320-T322 PolarHBondContact O-N 2.8Å; T322-R324 PolarHBondContact O-N 2.72Å; T322-D325 PolarHBondContact N-OD2 2.82Å; T322-D325 WeakPolarHBondContact O-CA 3.41Å; T322-D325 WeakPolarHBondContact O-CB 3.49Å; T322-D325 PolarHBondContact O-N 2.97Å; T322-D325 PolarHBondContact OG1-OD2 2.87Å; T322-L326 PolarHBondContact O-N 3.13Å; T322-L326 VanDerWaalsContact O-N 3.16Å
323M35Very low32.8Very low144 Ų144128.7 Ų128.771%0.70970%0.701SS**Hα-helixtrans-50.6-29.7174.3-160.977.970.200111.5L326 L327M323-L326 PolarHBondContact O-N 2.77Å; M323-L327 HydrophobicContact CG-CD1 4.13Å; M323-L327 VanDerWaalsContact O-CB 3.32Å; M323-L327 WeakPolarHBondContact O-CB 3.33Å; M323-L327 WeakPolarHBondContact O-CD1 3.46Å; M323-L327 WeakPolarHBondContact O-CG 3.48Å; M323-L327 PolarHBondContact O-N 2.92Å
324R36.1Very low32.5Very low194 Ų194121.9 Ų121.973%0.73269%0.688SS**Hα-helixtrans-63.3-41.8174.9-140.1177.2-168.2138.52.6112.6T322 L327 L328T322-R324 PolarHBondContact O-N 2.72Å; R324-L327 PolarHBondContact O-N 3.21Å; R324-L328 HydrophobicContact CG-CD1 4.41Å; R324-L328 VanDerWaalsContact O-CD1 3.24Å; R324-L328 WeakPolarHBondContact O-CD1 3.31Å; R324-L328 PolarHBondContact O-N 3.04Å
325D34.7Very low32.3Very low85 Ų85124.3 Ų124.346%0.45569%0.687SS.*Hα-helixtrans-70.7-37.7177-57.2-47.9000111.6K321 T322 H329K321-D325 HydrophobicContact CB-CB 4.48Å; T322-D325 PolarHBondContact N-OD2 2.82Å; T322-D325 WeakPolarHBondContact O-CA 3.41Å; T322-D325 WeakPolarHBondContact O-CB 3.49Å; T322-D325 PolarHBondContact O-N 2.97Å; T322-D325 PolarHBondContact OG1-OD2 2.87Å; D325-H329 WeakPolarHBondContact O-CB 3.32Å; D325-H329 PolarHBondContact O-N 2.63Å
326L36.7Very low32.1Very low105 Ų105121.6 Ų121.655%0.5569%0.688SS.*Hα-helixtrans-63.1-42.1171-90158.8000111.8T322 M323 H329 A330T322-L326 PolarHBondContact O-N 3.13Å; T322-L326 VanDerWaalsContact O-N 3.16Å; M323-L326 PolarHBondContact O-N 2.77Å; L326-H329 PolarHBondContact O-N 3.34Å; L326-A330 PolarHBondContact O-N 2.85Å
327L29.3Very low31.9Very low87 Ų87121.1 Ų121.146%0.45569%0.689SS.*Hα-helixtrans-68.3-43.7177.8-73.2165.4000111.1M323 R324 H329 A330 F331M323-L327 HydrophobicContact CG-CD1 4.13Å; M323-L327 VanDerWaalsContact O-CB 3.32Å; M323-L327 WeakPolarHBondContact O-CB 3.33Å; M323-L327 WeakPolarHBondContact O-CD1 3.46Å; M323-L327 WeakPolarHBondContact O-CG 3.48Å; M323-L327 PolarHBondContact O-N 2.92Å; R324-L327 PolarHBondContact O-N 3.21Å; L327-H329 VanDerWaalsContact C-N 3.26Å; L327-H329 PolarHBondContact O-N 2.66Å; L327-A330 WeakPolarHBondContact O-CB 3.24Å; L327-A330 PolarHBondContact O-N 3.41Å; L327-F331 HydrophobicContact CB-CD2 4.36Å; L327-F331 HydrophobicContact CB-CE2 4.36Å; L327-F331 HydrophobicContact CD2-CE2 4.1Å; L327-F331 WeakPolarHBondContact O-CD2 3.4Å; L327-F331 PolarHBondContact O-N 3.11Å
328L32Very low31.8Very low99 Ų99116 Ų11652%0.51868%0.677SS.*Hα-helixtrans-60.8-36.2174.9-98.1101.5000112.4R324 A330 F331 G332R324-L328 HydrophobicContact CG-CD1 4.41Å; R324-L328 VanDerWaalsContact O-CD1 3.24Å; R324-L328 WeakPolarHBondContact O-CD1 3.31Å; R324-L328 PolarHBondContact O-N 3.04Å; L328-A330 VanDerWaalsContact C-N 3.34Å; L328-F331 PolarHBondContact O-N 3.41Å; L328-G332 PolarHBondContact O-N 3.02Å
329H30.5Very low31.7Very low164 Ų164121.2 Ų121.276%0.75968%0.684SS**Hα-helixtrans-66.8-33.6173.9-155.2-73.7000112.4D325 L326 L327D325-H329 WeakPolarHBondContact O-CB 3.32Å; D325-H329 PolarHBondContact O-N 2.63Å; L326-H329 PolarHBondContact O-N 3.34Å; L327-H329 VanDerWaalsContact C-N 3.26Å; L327-H329 PolarHBondContact O-N 2.66Å
330A29.6Very low31.1Very low66 Ų66120.5 Ų120.555%0.54568%0.681SS.*Hα-helixtrans-74.2-26.4173.700000113.4L326 L327 L328L326-A330 PolarHBondContact O-N 2.85Å; L327-A330 WeakPolarHBondContact O-CB 3.24Å; L327-A330 PolarHBondContact O-N 3.41Å; L328-A330 VanDerWaalsContact C-N 3.34Å
331F31.2Very low31.2Very low149 Ų149121.7 Ų121.765%0.65467%0.674SS**THydrogen-bonded Turntrans-92.56.4-179.3-71.9-66.5000114.9L327 L328 A333L327-F331 HydrophobicContact CB-CD2 4.36Å; L327-F331 HydrophobicContact CB-CE2 4.36Å; L327-F331 HydrophobicContact CD2-CE2 4.1Å; L327-F331 WeakPolarHBondContact O-CD2 3.4Å; L327-F331 PolarHBondContact O-N 3.11Å; L328-F331 PolarHBondContact O-N 3.41Å; F331-A333 VanDerWaalsContact C-N 3.31Å; F331-A333 PolarHBondContact O-N 2.85Å
332G27.8Very low30.7Very low66 Ų66117.6 Ų117.668%0.6867%0.665SS**THydrogen-bonded Turntrans69.222.6160.400000115.6L328 G334L328-G332 PolarHBondContact O-N 3.02Å; G332-G334 VanDerWaalsContact C-N 3.31Å
333A32Very low30.6Very low82 Ų82120.4 Ų120.468%0.67868%0.677SS**  trans-99.752.7163.300000109.4F331F331-A333 VanDerWaalsContact C-N 3.31Å; F331-A333 PolarHBondContact O-N 2.85Å
334G26.7Very low30.5Very low59 Ų59117.4 Ų117.461%0.60868%0.675SS**  trans-113.7129.8177.300000109.7G332 G336G332-G334 VanDerWaalsContact C-N 3.31Å; G334-G336 PolarHBondContact O-N 3.43Å
335N25.3Very low30.3Very low156 Ų156112.1 Ų112.183%0.83467%0.665SS**  trans-53121.4-170.7-60.6-39.2000113.3E337N335-E337 PolarHBondContact O-N 3.21Å
336G28.9Very low30Very low87 Ų87116.8 Ų116.890%0.89768%0.676SS**  trans52.8-2.2132.700000122.3G334 G338G334-G336 PolarHBondContact O-N 3.43Å; G336-G338 PolarHBondContact O-N 3.22Å
337E26.5Very low29.8Very low184 Ų184118.7 Ų118.786%0.8669%0.686SS**  trans-85.7102.8177.8-69.3-167.317600109.2N335 E339N335-E337 PolarHBondContact O-N 3.21Å; E337-E339 PolarHBondContact O-N 3.32Å
338G28.3Very low29.6Very low69 Ų69120.1 Ų120.171%0.71169%0.694SS**  trans-52.8111.5178.500000111.3G336 K340G336-G338 PolarHBondContact O-N 3.22Å; G338-K340 PolarHBondContact O-N 3.26Å; G338-K340 VanDerWaalsContact O-N 3.13Å
339E31.4Very low29.5Very low177 Ų177124.3 Ų124.383%0.82771%0.711SS**  trans-56120170-80.3-175.3153.500109E337 F341E337-E339 PolarHBondContact O-N 3.32Å; E339-F341 PolarHBondContact O-N 3.16Å
340K25.9Very low29.7Very low205 Ų205125.1 Ų125.189%0.89171%0.707SS**  trans-62.3101178.5-67.6177178.9176.10109.1G338G338-K340 PolarHBondContact O-N 3.26Å; G338-K340 VanDerWaalsContact O-N 3.13Å
341F31.5Very low29.8Very low126 Ų126127.4 Ų127.455%0.55371%0.714SS**  trans-58.7134.7165.8-71.8-88.4000109.3E339 N343E339-F341 PolarHBondContact O-N 3.16Å; F341-N343 PolarHBondContact O-N 2.89Å
342P30.2Very low29.9Very low90 Ų90127 Ų12758%0.58471%0.714SS**  trans-56.8126.6169.5-20.530.8000109A344 V345P342-A344 PolarHBondContact O-N 2.95Å; P342-V345 PolarHBondContact O-N 2.92Å
343N32.7Very low30.2Very low135 Ų135126.9 Ų126.972%0.72270%0.7SS**THydrogen-bonded Turntrans-51.3-21.5-176.8-79.5-21.3000113.9F341 V345F341-N343 PolarHBondContact O-N 2.89Å; N343-V345 VanDerWaalsContact C-N 3.25Å; N343-V345 PolarHBondContact O-N 3.13Å
344A32.5Very low30.1Very low81 Ų81124 Ų12467%0.66967%0.674SS**THydrogen-bonded Turntrans-66.6-18.4176.400000114.7P342P342-A344 PolarHBondContact O-N 2.95Å
345V32.1Very low30.5Very low83 Ų83126.3 Ų126.350%0.50368%0.677SS.*THydrogen-bonded Turntrans-102.1-14.9-175.1-167.70000112.6P342 N343 N347P342-V345 PolarHBondContact O-N 2.92Å; N343-V345 VanDerWaalsContact C-N 3.25Å; N343-V345 PolarHBondContact O-N 3.13Å; V345-N347 VanDerWaalsContact C-N 3.27Å; V345-N347 PolarHBondContact O-N 2.67Å
346R29.6Very low31.2Very low183 Ų183124.6 Ų124.669%0.69166%0.662SS**THydrogen-bonded Turntrans-65.6-25.3-176.7-93.3-174.2168.9-175.3-3.4114.3
347N31.3Very low31.4Very low145 Ų145122.9 Ų122.978%0.77563%0.631SS**THydrogen-bonded Turntrans-119.716.4-169-65.3-8.6000114.9V345 E349V345-N347 VanDerWaalsContact C-N 3.27Å; V345-N347 PolarHBondContact O-N 2.67Å; N347-E349 PolarHBondContact O-N 2.88Å
348L26.8Very low32.1Very low117 Ų117120.9 Ų120.961%0.61362%0.619SS**  trans-8879.6175.5-67.5172.6000110.2R350 F374L348-R350 PolarHBondContact O-N 2.82Å; L348-F374 HydrophobicContact CD2-CE1 4.48Å
349E29.8Very low32.5Very low187 Ų187124.3 Ų124.387%0.87462%0.616SS**  trans-65.7127.8166.3-90.1-173.2152.900110.6N347N347-E349 PolarHBondContact O-N 2.88Å
350R34.8Very low32.5Very low181 Ų181121.6 Ų121.668%0.68360%0.602SS**  trans-83.1120.9174.6-76.4-178.9175.9-179.40.4109.5L20 L348L20-R350 VanDerWaalsContact CD1-NH2 3.31Å; L348-R350 PolarHBondContact O-N 2.82Å
351V31.4Very low33.2Very low114 Ų114113.5 Ų113.569%0.69157%0.573SS**  trans-112121.5163.9-175.90000109V353V351-V353 PolarHBondContact O-N 3.08Å
352H33Very low33.6Very low141 Ų141115.9 Ų115.965%0.65358%0.583SS**  trans-73115.5168.6173.5-82.3000108.4P354H352-P354 VanDerWaalsContact O-CD 3.24Å; H352-P354 WeakPolarHBondContact O-CD 3.41Å
353V33.6Very low34.1Very low62 Ų62120.7 Ų120.738%0.37659%0.591SS.*  trans-87.6109.5177.9-172.40000108.9V351 E357 F375V351-V353 PolarHBondContact O-N 3.08Å; V353-E357 HydrophobicContact CG1-CB 3.69Å; V353-F375 HydrophobicContact CB-CE2 4.49Å; V353-F375 HydrophobicContact CG1-CE2 4.1Å; V353-F375 HydrophobicContact CG1-CZ 3.89Å; V353-F375 HydrophobicContact CG2-CE2 3.55Å; V353-F375 HydrophobicContact CG2-CZ 4.18Å
354P30.4Very low34.6Very low21 Ų21117.2 Ų117.214%0.13659%0.587CS.*  trans-64.9153.3-179.6-19.934.6000111.9Y139 H352 F356 E357Y139-P354 HydrophobicContact CE1-CG 4.48Å; H352-P354 VanDerWaalsContact O-CD 3.24Å; H352-P354 WeakPolarHBondContact O-CD 3.41Å; P354-F356 HydrophobicContact CB-CD1 3.75Å; P354-F356 HydrophobicContact CB-CE1 3.33Å; P354-F356 HydrophobicContact CB-CZ 3.82Å; P354-F356 HydrophobicContact CG-CE1 3.99Å; P354-F356 HydrophobicContact CG-CZ 4.02Å; P354-F356 PolarHBondContact O-N 2.96Å; P354-E357 PolarHBondContact O-N 3.1Å
355T35.6Very low35.2Very low109 Ų109119.6 Ų119.667%0.66958%0.583SS**G310 helixtrans-53.9-27.9-173.1-29.30000114.4K358T355-K358 HydrophobicContact CG2-CD 4.23Å; T355-K358 WeakPolarHBondContact O-CB 3.27Å; T355-K358 WeakPolarHBondContact O-CG 3.49Å; T355-K358 PolarHBondContact O-N 3.49Å
356F39.9Very low35.8Very low119 Ų119116.8 Ų116.852%0.52257%0.566SS.*G310 helixtrans-79.2-16.7178.563.3-96.8000114P354 K358P354-F356 HydrophobicContact CB-CD1 3.75Å; P354-F356 HydrophobicContact CB-CE1 3.33Å; P354-F356 HydrophobicContact CB-CZ 3.82Å; P354-F356 HydrophobicContact CG-CE1 3.99Å; P354-F356 HydrophobicContact CG-CZ 4.02Å; P354-F356 PolarHBondContact O-N 2.96Å; F356-K358 VanDerWaalsContact C-N 3.28Å
357E33Very low36.5Very low51 Ų51111.6 Ų111.624%0.23855%0.551CS.*G310 helixtrans-83.1-2.9172.4-70.4-142.1129.200113.2V353 P354 H359 K360 A361V353-E357 HydrophobicContact CG1-CB 3.69Å; P354-E357 PolarHBondContact O-N 3.1Å; E357-H359 PolarHBondContact O-N 2.68Å; E357-H359 VanDerWaalsContact O-N 3.1Å; E357-K360 WeakPolarHBondContact O-CB 3.46Å; E357-K360 PolarHBondContact O-N 2.7Å; E357-K360 IonicContact OE1-NZ 2.8Å; E357-K360 PolarHBondContact OE1-NZ 3.37Å; E357-A361 PolarHBondContact O-N 2.77Å
358K40.2Very low36.9Very low143 Ų143112.5 Ų112.562%0.62255%0.545SS*.Hα-helixtrans-55-27.8170.2-75.1-175.9176.5-178.60112.8T355 F356 K360 A361 K362T355-K358 HydrophobicContact CG2-CD 4.23Å; T355-K358 WeakPolarHBondContact O-CB 3.27Å; T355-K358 WeakPolarHBondContact O-CG 3.49Å; T355-K358 PolarHBondContact O-N 3.49Å; F356-K358 VanDerWaalsContact C-N 3.28Å; K358-K360 VanDerWaalsContact C-N 3.32Å; K358-K360 PolarHBondContact O-N 3.4Å; K358-A361 WeakPolarHBondContact O-CB 3.37Å; K358-A361 PolarHBondContact O-N 2.94Å; K358-K362 PolarHBondContact O-N 2.81Å
359H36.8Very low37.3Very low141 Ų141112 Ų11265%0.65354%0.542SS*.Hα-helixtrans-65.4-31.8174.2-97-80000113.4E357 K362E357-H359 PolarHBondContact O-N 2.68Å; E357-H359 VanDerWaalsContact O-N 3.1Å; H359-K362 PolarHBondContact O-N 3.31Å
360K32.4Very low37.4Very low119 Ų119111.3 Ų111.352%0.51754%0.544SS..Hα-helixtrans-74.4-27.4173.2-71.2179.9-176.9165.90112E357 K358 K362 Y363E357-K360 WeakPolarHBondContact O-CB 3.46Å; E357-K360 PolarHBondContact O-N 2.7Å; E357-K360 IonicContact OE1-NZ 2.8Å; E357-K360 PolarHBondContact OE1-NZ 3.37Å; K358-K360 VanDerWaalsContact C-N 3.32Å; K358-K360 PolarHBondContact O-N 3.4Å; K360-K362 VanDerWaalsContact C-N 3.27Å; K360-K362 PolarHBondContact O-N 2.92Å; K360-Y363 PolarHBondContact O-N 3.32Å
361A40.1Very low37.4Very low36 Ų36106.6 Ų106.630%0.29855%0.551SS.*Hα-helixtrans-65-29.717400000112.9E357 K358 Y363 V366E357-A361 PolarHBondContact O-N 2.77Å; K358-A361 WeakPolarHBondContact O-CB 3.37Å; K358-A361 PolarHBondContact O-N 2.94Å; A361-Y363 VanDerWaalsContact C-N 3.29Å; A361-Y363 PolarHBondContact O-N 2.88Å; A361-V366 HydrophobicContact CB-CB 4.49Å; A361-V366 HydrophobicContact CB-CG2 3.86Å
362K39.3Very low37.7Very low175 Ų175107.1 Ų107.176%0.76155%0.546SS*.THydrogen-bonded Turntrans-64.5-27.4174.8-101-174.6174.5-176.20114K358 H359 K360 G364K358-K362 PolarHBondContact O-N 2.81Å; H359-K362 PolarHBondContact O-N 3.31Å; K360-K362 VanDerWaalsContact C-N 3.27Å; K360-K362 PolarHBondContact O-N 2.92Å; K362-G364 VanDerWaalsContact C-N 3.25Å; K362-G364 PolarHBondContact O-N 2.85Å; K362-G364 VanDerWaalsContact O-N 3.17Å
363Y40.7Very low38.2Very low191 Ų191103 Ų10375%0.74954%0.537SS*.THydrogen-bonded Turntrans-86.829.9-173.6-82.7-80.3000114.4K360 A361 K365K360-Y363 PolarHBondContact O-N 3.32Å; A361-Y363 VanDerWaalsContact C-N 3.29Å; A361-Y363 PolarHBondContact O-N 2.88Å; Y363-K365 PolarHBondContact O-N 2.81Å
364G42.8Very low38.7Very low62 Ų62103.1 Ų103.164%0.63953%0.533SS*.THydrogen-bonded Turntrans65.115.7173.100000115K362K362-G364 VanDerWaalsContact C-N 3.25Å; K362-G364 PolarHBondContact O-N 2.85Å; K362-G364 VanDerWaalsContact O-N 3.17Å
365K46Very low39.3Very low132 Ų132104.5 Ų104.557%0.57454%0.537SS*.  trans-92.36.1177.9-68.8-171.6179.2-1770113.4Y363 F375 K376Y363-K365 PolarHBondContact O-N 2.81Å; K365-F375 CarbonylContact O-C 3.52Å; K365-F375 WeakPolarHBondContact O-CA 3.33Å; K365-K376 PolarHBondContact O-N 3.45Å
366V45.1Very low39.6Very low24 Ų24105.2 Ų105.215%0.14553%0.53CS..EExtended strand (participates in β ladder)trans-122.3129.7-176.7178.10000110.8A361 Y368 A373 F374 F375A361-V366 HydrophobicContact CB-CB 4.49Å; A361-V366 HydrophobicContact CB-CG2 3.86Å; V366-Y368 HydrophobicContact CG1-CD2 4.32Å; V366-Y368 HydrophobicContact CG1-CE2 3.85Å; V366-A373 HydrophobicContact CG1-CB 3.74Å; V366-F374 CarbonylContact C-O 3.52Å; V366-F374 WeakPolarHBondContact CA-O 3.47Å; V366-F375 HydrophobicContact CG2-CD1 3.57Å; V366-F375 HydrophobicContact CG2-CE1 3.48Å; V366-F375 VanDerWaalsContact CG2-CE1 3.48Å; V366-F375 HydrophobicContact CG2-CG 4.36Å; V366-F375 HydrophobicContact CG2-CZ 4.21Å
367I43.6Very low39.7Very low74 Ų74104.3 Ų104.338%0.37954%0.539SS..EExtended strand (participates in β ladder)trans-110.6139.5175.9-58.6174.9000108.7L369 A373 F374I367-L369 HydrophobicContact CG2-CG 4.44Å; I367-A373 CarbonylContact O-C 3.58Å; I367-A373 WeakPolarHBondContact O-CA 3.36Å; I367-F374 PolarHBondContact N-O 2.87Å; I367-F374 PolarHBondContact O-N 2.97Å
368Y40.7Very low40.1Very low164 Ų164109.5 Ų109.564%0.64356%0.563SS**EExtended strand (participates in β ladder)trans-106.2124.1178.6-72.6-98.1000111.3V366 Q372 A373V366-Y368 HydrophobicContact CG1-CD2 4.32Å; V366-Y368 HydrophobicContact CG1-CE2 3.85Å; Y368-Q372 CarbonylContact C-O 3.46Å; Y368-Q372 WeakPolarHBondContact CA-O 3.39Å; Y368-A373 HydrophobicContact CD1-CB 3.95Å; Y368-A373 HydrophobicContact CE1-CB 3.62Å
369L34.6Very low39.9Very low105 Ų105105.4 Ų105.455%0.5555%0.547SS..EExtended strand (participates in β ladder)trans-131.4130.1175.6-69.1169.5000109.9I367 G371 Q372 F374I367-L369 HydrophobicContact CG2-CG 4.44Å; L369-G371 PolarHBondContact O-N 3.36Å; L369-G371 VanDerWaalsContact O-N 3.12Å; L369-Q372 PolarHBondContact N-O 2.8Å; L369-Q372 PolarHBondContact O-N 2.78Å; L369-F374 HydrophobicContact CB-CD2 4.32Å; L369-F374 HydrophobicContact CB-CE2 3.93Å
370N32.5Very low40Very low174 Ų174102.8 Ų102.893%0.9354%0.544SS*.THydrogen-bonded Turntrans45.544177.8-65.6-16.7000114.2
371G33.5Very low40.2Very low81 Ų81102.9 Ų102.984%0.83555%0.55SS*.THydrogen-bonded Turntrans77.613.1178.900000115.4L369L369-G371 PolarHBondContact O-N 3.36Å; L369-G371 VanDerWaalsContact O-N 3.12Å
372Q37.3Very low40.1Very low125 Ų125109 Ų10958%0.58457%0.57SS**EExtended strand (participates in β ladder)trans-125.6152.2179-63.5-176.4-7.400112Y368 L369 F374Y368-Q372 CarbonylContact C-O 3.46Å; Y368-Q372 WeakPolarHBondContact CA-O 3.39Å; L369-Q372 PolarHBondContact N-O 2.8Å; L369-Q372 PolarHBondContact O-N 2.78Å; Q372-F374 HydrophobicContact CB-CE2 3.9Å; Q372-F374 HydrophobicContact CB-CZ 4.21Å
373A44.9Very low40.2Very low56 Ų56103.8 Ų103.846%0.46356%0.559SS.*EExtended strand (participates in β ladder)trans-109135.1-174.100000112.1V366 I367 Y368V366-A373 HydrophobicContact CG1-CB 3.74Å; I367-A373 CarbonylContact O-C 3.58Å; I367-A373 WeakPolarHBondContact O-CA 3.36Å; Y368-A373 HydrophobicContact CD1-CB 3.95Å; Y368-A373 HydrophobicContact CE1-CB 3.62Å
374F42.9Very low40.1Very low63 Ų6398.5 Ų98.528%0.27654%0.543SS..EExtended strand (participates in β ladder)trans-130139.9-175-62.5-90.5000111.8L348 V366 I367 L369 Q372L348-F374 HydrophobicContact CD2-CE1 4.48Å; V366-F374 CarbonylContact C-O 3.52Å; V366-F374 WeakPolarHBondContact CA-O 3.47Å; I367-F374 PolarHBondContact N-O 2.87Å; I367-F374 PolarHBondContact O-N 2.97Å; L369-F374 HydrophobicContact CB-CD2 4.32Å; L369-F374 HydrophobicContact CB-CE2 3.93Å; Q372-F374 HydrophobicContact CB-CE2 3.9Å; Q372-F374 HydrophobicContact CB-CZ 4.21Å
375F42.9Very low40Very low51 Ų5199.7 Ų99.722%0.22453%0.534CS..EExtended strand (participates in β ladder)trans-86.9133.8175.6-71.6-80.5000112.7V353 K365 V366 S377 H378V353-F375 HydrophobicContact CB-CE2 4.49Å; V353-F375 HydrophobicContact CG1-CE2 4.1Å; V353-F375 HydrophobicContact CG1-CZ 3.89Å; V353-F375 HydrophobicContact CG2-CE2 3.55Å; V353-F375 HydrophobicContact CG2-CZ 4.18Å; K365-F375 CarbonylContact O-C 3.52Å; K365-F375 WeakPolarHBondContact O-CA 3.33Å; V366-F375 HydrophobicContact CG2-CD1 3.57Å; V366-F375 HydrophobicContact CG2-CE1 3.48Å; V366-F375 VanDerWaalsContact CG2-CE1 3.48Å; V366-F375 HydrophobicContact CG2-CG 4.36Å; V366-F375 HydrophobicContact CG2-CZ 4.21Å; F375-S377 PolarHBondContact O-N 2.94Å; F375-S377 VanDerWaalsContact O-N 3.08Å; F375-H378 PolarHBondContact O-N 3.21Å
376K41.9Very low39.8Very low123 Ų123100.3 Ų100.354%0.53554%0.539SS..G310 helixtrans-59.7-21.9-177.9-153.8174.4-175.4178.10113.8K365K365-K376 PolarHBondContact O-N 3.45Å
377S43.4Very low39.4Very low100 Ų100108.1 Ų108.170%0.69957%0.566SS**G310 helixtrans-79-17.1-179.256.20000115.1F375F375-S377 PolarHBondContact O-N 2.94Å; F375-S377 VanDerWaalsContact O-N 3.08Å
378H40.8Very low39Very low161 Ų161108.4 Ų108.475%0.74557%0.574SS**G310 helixtrans-95.92-178.9-78.3-75.1000113.8F375F375-H378 PolarHBondContact O-N 3.21Å
379I35.9Very low38.8Very low57 Ų57107.4 Ų107.429%0.29257%0.573SS.*SBendtrans-109.3112.5176.3-52.7171.2000107.4I381 I384I379-I381 PolarHBondContact O-N 3.47Å; I379-I384 HydrophobicContact CB-CD1 4.42Å; I379-I384 HydrophobicContact CD1-CD1 4.2Å; I379-I384 HydrophobicContact CG2-CD1 3.46Å; I379-I384 VanDerWaalsContact CG2-CD1 3.46Å; I379-I384 HydrophobicContact CG2-CG1 3.77Å
380S37.8Very low38.9Very low85 Ų85105.6 Ų105.659%0.59457%0.573SS**  trans-59108.9167.6-174.30000107.6K382 A383S380-K382 PolarHBondContact O-N 3.26Å; S380-A383 PolarHBondContact O-N 2.84Å
381I38.2Very low39.1Very low122 Ų122104.3 Ų104.363%0.62657%0.566SS**Hα-helixtrans-56-24.5-174.1-66.7172000111.4I379 A383 I384 D385I379-I381 PolarHBondContact O-N 3.47Å; I381-A383 VanDerWaalsContact C-N 3.28Å; I381-A383 PolarHBondContact O-N 3.48Å; I381-I384 PolarHBondContact O-N 2.77Å; I381-D385 PolarHBondContact O-N 2.95Å
382K37.1Very low39Very low165 Ų165105.4 Ų105.472%0.71756%0.56SS**Hα-helixtrans-60.6-33174.2-70.3-170174.8-172.90113.6S380 E386S380-K382 PolarHBondContact O-N 3.26Å; K382-E386 PolarHBondContact O-N 2.98Å
383A41.2Very low38.7Very low64 Ų64105.6 Ų105.653%0.52956%0.564SS.*Hα-helixtrans-81.2-18.7-177.100000114.3S380 I381S380-A383 PolarHBondContact O-N 2.84Å; I381-A383 VanDerWaalsContact C-N 3.28Å; I381-A383 PolarHBondContact O-N 3.48Å
384I39.7Very low38.1Very low81 Ų81109.8 Ų109.842%0.41558%0.579SS.*Hα-helixtrans-85.7-42.7173.8-69.8-177.4000110.1I379 I381 E386 R387 C388I379-I384 HydrophobicContact CB-CD1 4.42Å; I379-I384 HydrophobicContact CD1-CD1 4.2Å; I379-I384 HydrophobicContact CG2-CD1 3.46Å; I379-I384 VanDerWaalsContact CG2-CD1 3.46Å; I379-I384 HydrophobicContact CG2-CG1 3.77Å; I381-I384 PolarHBondContact O-N 2.77Å; I384-E386 PolarHBondContact O-N 2.97Å; I384-R387 PolarHBondContact O-N 3.1Å; I384-C388 WeakPolarHBondContact O-CB 3.48Å; I384-C388 PolarHBondContact O-N 3.13Å; I384-C388 PolarHBondContact O-SG 2.82Å
385D40.6Very low37.5Very low87 Ų87114.3 Ų114.347%0.46561%0.606SS.*Hα-helixtrans-69.4-34.3-172.7-14845.2000112.4I381 K389I381-D385 PolarHBondContact O-N 2.95Å; D385-K389 WeakPolarHBondContact O-CB 3.47Å; D385-K389 WeakPolarHBondContact O-CG 3.26Å; D385-K389 PolarHBondContact O-N 3.26Å; D385-K389 VanDerWaalsContact O-N 3.16Å; D385-K389 IonicContact OD2-NZ 3.24Å; D385-K389 PolarHBondContact OD2-NZ 2.78Å
386E41.1Very low37.2Very low144 Ų144118.5 Ų118.567%0.67364%0.636SS**Hα-helixtrans-70.2-34173.5-73.4178.9178.500112.6K382 I384 A390K382-E386 PolarHBondContact O-N 2.98Å; I384-E386 PolarHBondContact O-N 2.97Å; E386-A390 WeakPolarHBondContact O-CB 3.37Å; E386-A390 PolarHBondContact O-N 2.68Å
387R35.9Very low36.9Very low189 Ų189124.3 Ų124.371%0.71367%0.673SS**Hα-helixtrans-80.7-33.1-179.7-123.1177.1-175.6179.61.2113.1I384 K389 A390 L391I384-R387 PolarHBondContact O-N 3.1Å; R387-K389 VanDerWaalsContact C-N 3.34Å; R387-A390 PolarHBondContact O-N 2.76Å; R387-L391 WeakPolarHBondContact O-CG 3.25Å; R387-L391 PolarHBondContact O-N 3.18Å
388C36.4Very low36.5Very low80 Ų80125.6 Ų125.654%0.54167%0.671SS.*Hα-helixtrans-69.4-33.2172.1-74.60000111.6I384I384-C388 WeakPolarHBondContact O-CB 3.48Å; I384-C388 PolarHBondContact O-N 3.13Å; I384-C388 PolarHBondContact O-SG 2.82Å
389K36.2Very low36.3Very low142 Ų142123.7 Ų123.762%0.61767%0.667SS**Hα-helixtrans-72.2-36.9172.2-74.9174.6-176.7165.10112.9D385 R387 L391 S392D385-K389 WeakPolarHBondContact O-CB 3.47Å; D385-K389 WeakPolarHBondContact O-CG 3.26Å; D385-K389 PolarHBondContact O-N 3.26Å; D385-K389 VanDerWaalsContact O-N 3.16Å; D385-K389 IonicContact OD2-NZ 3.24Å; D385-K389 PolarHBondContact OD2-NZ 2.78Å; R387-K389 VanDerWaalsContact C-N 3.34Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 PolarHBondContact O-N 3.05Å; K389-S392 PolarHBondContact O-N 3.29Å
390A37.5Very low36.3Very low68 Ų68127.4 Ų127.456%0.56269%0.688SS**Hα-helixtrans-70.4-18.5177.700000114.2E386 R387E386-A390 WeakPolarHBondContact O-CB 3.37Å; E386-A390 PolarHBondContact O-N 2.68Å; R387-A390 PolarHBondContact O-N 2.76Å
391L35.9Very low36.2Very low147 Ų147129.9 Ų129.977%0.7769%0.694SS**THydrogen-bonded Turntrans-99.67179.9-74167.1000113.8R387 K389R387-L391 WeakPolarHBondContact O-CG 3.25Å; R387-L391 PolarHBondContact O-N 3.18Å; K389-L391 VanDerWaalsContact C-N 3.26Å; K389-L391 PolarHBondContact O-N 3.05Å
392S31.3Very low36.1Very low104 Ų104130.4 Ų130.473%0.72770%0.698SS**SBendtrans-111.520.4176-163.70000113.3K389K389-S392 PolarHBondContact O-N 3.29Å
393I30.8Very low36.1Very low129 Ų129128.1 Ų128.166%0.66270%0.697SS**  trans-99134.1164.5-53.7176.7000105.9
394D32.1Very low35.7Very low144 Ų144132.6 Ų132.677%0.7771%0.709SS**SBendtrans87.271.6-174.9-51.9-21.6000115.2
395N31Very low35.4Very low157 Ų157136.6 Ų136.684%0.8473%0.731SS**  trans-168.387.8131.1-91.1-27.1000109.7
396T36.3Very low34.9Very low140 Ų140140.8 Ų140.886%0.85975%0.754SS**  trans170.297.5138.147.10000108.4
397N34.8Very low34.4Very low245 Ų245140.5 Ų140.5100%1.3176%0.761SS**  trans-92.80136.4-95.6-10000106.8

Retrieved 397 of 397 residues in 252.3 ms (Link to these results)

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