A0A077Z5A4_TRITR Loading...

purine-nucleoside phosphorylase

AlphaFold DB , UniProt , Accession A0A077Z5A4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 270 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
1M68.2Low90.3Very high72 Ų7269.5 Ų69.536%0.35535%0.347SS..  0149.80179179.8-72.200108M5 I6 G51 P53 L91 T94M1-M5 HydrophobicContact CG-CB 3.94Å; M1-M5 HydrophobicContact SD-CB 3.85Å; M1-I6 HydrophobicContact CB-CD1 4.4Å; M1-I6 HydrophobicContact CB-CG1 4.42Å; M1-I6 HydrophobicContact CG-CG1 4.18Å; M1-I6 HydrophobicContact SD-CG1 3.81Å; M1-G51 WeakPolarHBondContact CE-O 3.45Å; M1-P53 HydrophobicContact CE-CB 3.83Å; M1-P53 HydrophobicContact CE-CG 4.26Å; M1-L91 HydrophobicContact CE-CD1 3.53Å; M1-T94 HydrophobicContact CE-CG2 3.64Å; M1-T94 HydrophobicContact SD-CG2 3.59Å; M1-T94 VanDerWaalsContact SD-CG2 3.59Å
2D80.9Confident90.9Very high90 Ų9069.3 Ų69.348%0.48134%0.343SS..  trans-60133.9173.4-178.5-4.7000111.1I4 M5 I6D2-I4 PolarHBondContact O-N 3.34Å; D2-I4 PolarHBondContact OD1-N 2.96Å; D2-M5 HydrophobicContact CB-CG 4.23Å; D2-M5 PolarHBondContact O-N 2.67Å; D2-I6 PolarHBondContact O-N 2.68Å
3E86.8Confident91.4Very high107 Ų10763.9 Ų63.950%0.532%0.316SS..Hα-helixtrans-56.6-32.3177.2-164.2-170.8164.200112.1M5 I6 K7E3-M5 VanDerWaalsContact C-N 3.33Å; E3-M5 PolarHBondContact O-N 2.79Å; E3-I6 PolarHBondContact O-N 2.99Å; E3-K7 VanDerWaalsContact CD-NZ 3.34Å; E3-K7 HydrophobicContact CG-CD 4.48Å; E3-K7 WeakPolarHBondContact O-CG 3.49Å; E3-K7 PolarHBondContact O-N 3.42Å; E3-K7 WeakPolarHBondContact OE1-CE 3.46Å; E3-K7 IonicContact OE1-NZ 2.76Å; E3-K7 PolarHBondContact OE1-NZ 3.04Å; E3-K7 IonicContact OE2-NZ 3.88Å
4I90.8Very high91.7Very high97 Ų9766.9 Ų66.950%0.49733%0.326SS..Hα-helixtrans-61-43.3176.3-63.6173.3000110.7D2 K7 K8D2-I4 PolarHBondContact O-N 3.34Å; D2-I4 PolarHBondContact OD1-N 2.96Å; I4-K7 PolarHBondContact O-N 2.92Å; I4-K8 HydrophobicContact CG2-CD 4.49Å; I4-K8 WeakPolarHBondContact O-CG 3.48Å; I4-K8 PolarHBondContact O-N 3.42Å
5M91.9Very high92Very high80 Ų8069.9 Ų69.939%0.39435%0.345SS..Hα-helixtrans-68.1-39.5-179.7-66.3-60.2-119.900111.6M1 D2 E3 K8 A9M1-M5 HydrophobicContact CG-CB 3.94Å; M1-M5 HydrophobicContact SD-CB 3.85Å; D2-M5 HydrophobicContact CB-CG 4.23Å; D2-M5 PolarHBondContact O-N 2.67Å; E3-M5 VanDerWaalsContact C-N 3.33Å; E3-M5 PolarHBondContact O-N 2.79Å; M5-K8 PolarHBondContact O-N 3.39Å; M5-K8 HydrophobicContact SD-CD 4.41Å; M5-A9 PolarHBondContact O-N 3.14Å; M5-A9 VanDerWaalsContact O-N 3.07Å
6I93.2Very high92.2Very high12 Ų1267.8 Ų67.86%0.06234%0.335CS..Hα-helixtrans-62.8-43.8174.9-63.3175.8000110.6M1 D2 E3 K8 A9 V10 T94 I97 I98 K101M1-I6 HydrophobicContact CB-CD1 4.4Å; M1-I6 HydrophobicContact CB-CG1 4.42Å; M1-I6 HydrophobicContact CG-CG1 4.18Å; M1-I6 HydrophobicContact SD-CG1 3.81Å; D2-I6 PolarHBondContact O-N 2.68Å; E3-I6 PolarHBondContact O-N 2.99Å; I6-K8 VanDerWaalsContact C-N 3.35Å; I6-K8 PolarHBondContact O-N 3.05Å; I6-A9 PolarHBondContact O-N 3.49Å; I6-V10 HydrophobicContact CG2-CG2 4.32Å; I6-V10 WeakPolarHBondContact O-CB 3.3Å; I6-V10 WeakPolarHBondContact O-CG2 3.43Å; I6-V10 PolarHBondContact O-N 2.91Å; I6-T94 HydrophobicContact CG1-CG2 4.35Å; I6-I97 HydrophobicContact CD1-CG2 4.11Å; I6-I97 HydrophobicContact CG2-CG2 4.29Å; I6-I98 HydrophobicContact CG2-CG1 4.17Å; I6-K101 HydrophobicContact CG2-CD 3.47Å; I6-K101 VanDerWaalsContact CG2-CD 3.47Å
7K95.3Very high92.3Very high114 Ų11464.5 Ų64.550%0.49632%0.319SS..Hα-helixtrans-61.3-41.5177.4-76.5173.5-179.6162.20112.1E3 I4 V10 S11E3-K7 VanDerWaalsContact CD-NZ 3.34Å; E3-K7 HydrophobicContact CG-CD 4.48Å; E3-K7 WeakPolarHBondContact O-CG 3.49Å; E3-K7 PolarHBondContact O-N 3.42Å; E3-K7 WeakPolarHBondContact OE1-CE 3.46Å; E3-K7 IonicContact OE1-NZ 2.76Å; E3-K7 PolarHBondContact OE1-NZ 3.04Å; E3-K7 IonicContact OE2-NZ 3.88Å; I4-K7 PolarHBondContact O-N 2.92Å; K7-V10 PolarHBondContact O-N 3.47Å; K7-S11 WeakPolarHBondContact O-CB 3.39Å; K7-S11 PolarHBondContact O-N 2.99Å
8K96.4Very high91.9Very high113 Ų11373.6 Ų73.649%0.49135%0.349SS..Hα-helixtrans-60.8-48.2175.8-74179178.7-178.50112I4 M5 I6 V10 S11 F12 P50I4-K8 HydrophobicContact CG2-CD 4.49Å; I4-K8 WeakPolarHBondContact O-CG 3.48Å; I4-K8 PolarHBondContact O-N 3.42Å; M5-K8 PolarHBondContact O-N 3.39Å; M5-K8 HydrophobicContact SD-CD 4.41Å; I6-K8 VanDerWaalsContact C-N 3.35Å; I6-K8 PolarHBondContact O-N 3.05Å; K8-V10 PolarHBondContact O-N 3.15Å; K8-S11 PolarHBondContact O-N 3.34Å; K8-F12 WeakPolarHBondContact O-CB 3.46Å; K8-F12 PolarHBondContact O-N 3.01Å; K8-P50 CarbonylContact C-O 3.58Å; K8-P50 HydrophobicContact CB-CB 4.37Å
9A96.3Very high91.9Very high0 Ų073 Ų730%035%0.35CS..Hα-helixtrans-61.4-44.3178.500000111.6M5 I6 F12 L13 I49 P50 I98M5-A9 PolarHBondContact O-N 3.14Å; M5-A9 VanDerWaalsContact O-N 3.07Å; I6-A9 PolarHBondContact O-N 3.49Å; A9-F12 PolarHBondContact O-N 3.49Å; A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 VanDerWaalsContact O-CG 3.26Å; A9-L13 WeakPolarHBondContact O-CG 3.37Å; A9-L13 PolarHBondContact O-N 3.03Å; A9-I49 HydrophobicContact CB-CG2 4.04Å; A9-P50 WeakPolarHBondContact CA-O 3.09Å; A9-P50 VanDerWaalsContact CB-O 3.31Å; A9-P50 WeakPolarHBondContact CB-O 3.29Å; A9-P50 PolarHBondContact N-O 2.83Å; A9-I98 HydrophobicContact CB-CD1 3.77Å; A9-I98 HydrophobicContact CB-CG1 4.45Å
10V96.6Very high92Very high13 Ų1374.6 Ų74.68%0.07937%0.365CS..Hα-helixtrans-63.8-43.1178.6169.90000111.8I6 K7 K8 K14 I98 K101 L102I6-V10 HydrophobicContact CG2-CG2 4.32Å; I6-V10 WeakPolarHBondContact O-CB 3.3Å; I6-V10 WeakPolarHBondContact O-CG2 3.43Å; I6-V10 PolarHBondContact O-N 2.91Å; K7-V10 PolarHBondContact O-N 3.47Å; K8-V10 PolarHBondContact O-N 3.15Å; V10-K14 HydrophobicContact CG1-CD 4.14Å; V10-K14 WeakPolarHBondContact O-CB 3.2Å; V10-K14 WeakPolarHBondContact O-CG 3.42Å; V10-K14 PolarHBondContact O-N 3.04Å; V10-I98 HydrophobicContact CG2-CB 4.48Å; V10-I98 HydrophobicContact CG2-CG1 4.42Å; V10-I98 HydrophobicContact CG2-CG2 4.1Å; V10-K101 HydrophobicContact CB-CB 4.49Å; V10-K101 HydrophobicContact CG1-CB 4.1Å; V10-K101 HydrophobicContact CG2-CB 3.56Å; V10-K101 HydrophobicContact CG2-CD 4.08Å; V10-K101 HydrophobicContact CG2-CG 4.49Å; V10-L102 HydrophobicContact CG1-CD2 4.13Å
11S96.7Very high92.2Very high66 Ų6671.1 Ų71.146%0.46235%0.348SS..Hα-helixtrans-61.7-51.4177.8-166.40000110.8K7 K8 L13 K14 D15K7-S11 WeakPolarHBondContact O-CB 3.39Å; K7-S11 PolarHBondContact O-N 2.99Å; K8-S11 PolarHBondContact O-N 3.34Å; S11-L13 VanDerWaalsContact C-N 3.33Å; S11-L13 PolarHBondContact O-N 3.3Å; S11-K14 PolarHBondContact O-N 3.48Å; S11-K14 VanDerWaalsContact O-N 3.15Å; S11-D15 PolarHBondContact O-N 2.94Å
12F97.5Very high93.3Very high67 Ų6770 Ų7029%0.29435%0.347SS..Hα-helixtrans-54.6-48.5178.6178.2-92.3000111.8K8 A9 K14 D15 D16 L44 I49 P50K8-F12 WeakPolarHBondContact O-CB 3.46Å; K8-F12 PolarHBondContact O-N 3.01Å; A9-F12 PolarHBondContact O-N 3.49Å; F12-K14 PolarHBondContact O-N 3.14Å; F12-D15 PolarHBondContact O-N 3.45Å; F12-D16 VanDerWaalsContact O-CB 3.3Å; F12-D16 WeakPolarHBondContact O-CB 3.16Å; F12-D16 PolarHBondContact O-N 3.43Å; F12-L44 HydrophobicContact CE1-CD1 4.08Å; F12-I49 HydrophobicContact CD1-CB 4.49Å; F12-I49 HydrophobicContact CD1-CG1 4.47Å; F12-I49 HydrophobicContact CD1-CG2 4.06Å; F12-I49 HydrophobicContact CE1-CG1 4.21Å; F12-P50 HydrophobicContact CB-CG 4.45Å; F12-P50 HydrophobicContact CD2-CG 4.04Å; F12-P50 HydrophobicContact CG-CG 4.27Å
13L97Very high94Very high0 Ų065.9 Ų65.90%033%0.325CS..Hα-helixtrans-67.3-34.8-179.7-70.5169.8000112.8A9 S11 D16 M17 L44 I49 L64 I98 L102A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 VanDerWaalsContact O-CG 3.26Å; A9-L13 WeakPolarHBondContact O-CG 3.37Å; A9-L13 PolarHBondContact O-N 3.03Å; S11-L13 VanDerWaalsContact C-N 3.33Å; S11-L13 PolarHBondContact O-N 3.3Å; L13-D16 PolarHBondContact O-N 3Å; L13-M17 HydrophobicContact CB-CE 4.21Å; L13-M17 WeakPolarHBondContact O-CB 3.47Å; L13-M17 WeakPolarHBondContact O-CE 3.47Å; L13-M17 WeakPolarHBondContact O-CG 3.22Å; L13-M17 PolarHBondContact O-N 3.07Å; L13-L44 HydrophobicContact CD2-CD1 3.75Å; L13-I49 HydrophobicContact CD1-CG2 4.32Å; L13-I49 HydrophobicContact CD2-CD1 4.21Å; L13-I49 HydrophobicContact CD2-CG1 4.47Å; L13-I49 HydrophobicContact CD2-CG2 4.42Å; L13-I49 HydrophobicContact CG-CG2 4.19Å; L13-L64 HydrophobicContact CD1-CD1 3.82Å; L13-L64 HydrophobicContact CD2-CD1 4.26Å; L13-L64 HydrophobicContact CD2-CD2 3.84Å; L13-I98 HydrophobicContact CD1-CG2 3.74Å; L13-L102 HydrophobicContact CB-CD1 4.37Å; L13-L102 HydrophobicContact CB-CD2 3.92Å; L13-L102 HydrophobicContact CD1-CD1 4.04Å
14K96.2Very high94.6Very high105 Ų10560.8 Ų60.846%0.45730%0.302SS..Hα-helixtrans-65.5-44175.6-78.6-178.9178.4-176.90111.9V10 S11 F12 D16 R18 K101 L102V10-K14 HydrophobicContact CG1-CD 4.14Å; V10-K14 WeakPolarHBondContact O-CB 3.2Å; V10-K14 WeakPolarHBondContact O-CG 3.42Å; V10-K14 PolarHBondContact O-N 3.04Å; S11-K14 PolarHBondContact O-N 3.48Å; S11-K14 VanDerWaalsContact O-N 3.15Å; F12-K14 PolarHBondContact O-N 3.14Å; K14-D16 PolarHBondContact O-N 3.37Å; K14-R18 PolarHBondContact O-N 3.02Å; K14-R18 VanDerWaalsContact O-N 3.14Å; K14-K101 WeakPolarHBondContact CE-O 3.31Å; K14-K101 PolarHBondContact NZ-O 3.35Å; K14-L102 HydrophobicContact CG-CD2 3.8Å
15D95.7Very high94.8Very high113 Ų11356.2 Ų56.260%0.60428%0.278SS*.Hα-helixtrans-63.3-36.5177.8-64.3-24.8000111.2S11 F12 R18S11-D15 PolarHBondContact O-N 2.94Å; F12-D15 PolarHBondContact O-N 3.45Å; D15-R18 WeakPolarHBondContact O-CG 3.36Å
16D95.5Very high94.9Very high36 Ų3652.6 Ų52.619%0.19326%0.26CS..Hα-helixtrans-74-44.8-179.1-16277.9000113.7F12 L13 K14 R42 H66F12-D16 VanDerWaalsContact O-CB 3.3Å; F12-D16 WeakPolarHBondContact O-CB 3.16Å; F12-D16 PolarHBondContact O-N 3.43Å; L13-D16 PolarHBondContact O-N 3Å; K14-D16 PolarHBondContact O-N 3.37Å; D16-R42 IonicContact OD1-CZ 3.02Å; D16-R42 IonicContact OD1-NH1 2.67Å; D16-R42 PolarHBondContact OD1-NH1 3.31Å; D16-R42 IonicContact OD1-NH2 2.68Å; D16-R42 PolarHBondContact OD1-NH2 3.03Å; D16-R42 IonicContact OD2-CZ 2.89Å; D16-R42 IonicContact OD2-NE 3.55Å; D16-R42 IonicContact OD2-NH1 2.92Å; D16-R42 PolarHBondContact OD2-NH1 3.34Å; D16-R42 IonicContact OD2-NH2 2.99Å; D16-R42 PolarHBondContact OD2-NH2 2.89Å; D16-H66 IonicContact OD2-CE1 3.24Å; D16-H66 PolarHBondContact OD2-CE1 3.49Å; D16-H66 VanDerWaalsContact OD2-CE1 3.24Å; D16-H66 IonicContact OD2-NE2 2.94Å; D16-H66 PolarHBondContact OD2-NE2 2.87Å
17M94.6Very high94.8Very high11 Ų1152.5 Ų52.55%0.05426%0.261CS..Hα-helixtrans-76.5-37-176.4-69.9-174.8-62.700113.5L13 V19 P21 H66 Y73 V75 L102L13-M17 HydrophobicContact CB-CE 4.21Å; L13-M17 WeakPolarHBondContact O-CB 3.47Å; L13-M17 WeakPolarHBondContact O-CE 3.47Å; L13-M17 WeakPolarHBondContact O-CG 3.22Å; L13-M17 PolarHBondContact O-N 3.07Å; M17-V19 PolarHBondContact O-N 3.47Å; M17-P21 HydrophobicContact CE-CG 4.09Å; M17-P21 HydrophobicContact SD-CG 4.05Å; M17-H66 HydrophobicContact CG-CB 4.31Å; M17-H66 HydrophobicContact SD-CB 4.14Å; M17-Y73 HydrophobicContact CB-CE1 3.96Å; M17-Y73 HydrophobicContact CG-CE1 4.03Å; M17-Y73 HydrophobicContact SD-CE1 3.99Å; M17-V75 HydrophobicContact SD-CG2 3.72Å; M17-L102 HydrophobicContact CE-CB 4.46Å; M17-L102 HydrophobicContact CE-CD1 3.88Å; M17-L102 HydrophobicContact CE-CD2 3.61Å; M17-L102 HydrophobicContact CE-CG 4.17Å
18R85.1Confident94.1Very high229 Ų22948.2 Ų48.286%0.86425%0.249SC*.  trans53.93.8-173.1-55.9-177.4-180175.2-1116.2K14 D15K14-R18 PolarHBondContact O-N 3.02Å; K14-R18 VanDerWaalsContact O-N 3.14Å; D15-R18 WeakPolarHBondContact O-CG 3.36Å
19V92.3Very high92.3Very high62 Ų6243.7 Ų43.738%0.37623%0.231SC..SBendtrans-135.5137.8177.71800000107.4M17 P21 Y73M17-V19 PolarHBondContact O-N 3.47Å; V19-P21 WeakPolarHBondContact O-CD 3.4Å; V19-Y73 HydrophobicContact CB-CD1 4.07Å; V19-Y73 HydrophobicContact CB-CE1 4.18Å; V19-Y73 HydrophobicContact CB-CG 4.24Å; V19-Y73 HydrophobicContact CG1-CD1 4.03Å; V19-Y73 HydrophobicContact CG1-CD2 4.47Å; V19-Y73 HydrophobicContact CG1-CG 3.92Å
20T93.3Very high90.3Very high105 Ų10545.9 Ų45.964%0.64425%0.253SS*.  trans-77117.4175.4-57.80000109.6L102T20-L102 WeakPolarHBondContact CG2-O 3.39Å
21P95.5Very high88Confident2 Ų254.2 Ų54.21%0.01329%0.289CS..  trans-69.4143.8178.428.4-34.6000111.8M17 V19 Y73 V75 L102 I104M17-P21 HydrophobicContact CE-CG 4.09Å; M17-P21 HydrophobicContact SD-CG 4.05Å; V19-P21 WeakPolarHBondContact O-CD 3.4Å; P21-Y73 WeakPolarHBondContact CA-O 3.01Å; P21-Y73 HydrophobicContact CB-CD1 4.05Å; P21-V75 HydrophobicContact CB-CG2 3.75Å; P21-V75 HydrophobicContact CG-CG2 3.69Å; P21-L102 HydrophobicContact CG-CB 4.24Å; P21-I104 HydrophobicContact CB-CD1 4.14Å; P21-I104 HydrophobicContact CB-CG1 4.07Å; P21-I104 HydrophobicContact CG-CD1 3.86Å; P21-I104 HydrophobicContact CG-CG1 3.73Å
22S90.9Very high86.2Confident48 Ų4852.6 Ų52.634%0.33628%0.275SS..SBendtrans-89.9-37-179.954.30000112.9Y73S22-Y73 PolarHBondContact N-O 3.28Å; S22-Y73 PolarHBondContact OG-O 3.09Å
23V97.5Very high85Confident3 Ų352.7 Ų52.72%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-130.6138.1-173.1-175.90000110.7I25 V74 V75 T106 I267 L270V23-I25 HydrophobicContact CG1-CG1 4.47Å; V23-V74 HydrophobicContact CB-CG1 4.14Å; V23-V74 WeakPolarHBondContact O-CA 3.5Å; V23-V74 WeakPolarHBondContact O-CB 3.47Å; V23-V75 PolarHBondContact O-N 3.1Å; V23-T106 WeakPolarHBondContact CA-O 3.22Å; V23-I267 HydrophobicContact CB-CG1 4.46Å; V23-I267 HydrophobicContact CG1-CD1 4.01Å; V23-I267 HydrophobicContact CG1-CG1 4.05Å; V23-I267 HydrophobicContact CG2-CG1 4.38Å; V23-I267 HydrophobicContact CG2-CG2 4.24Å; V23-L270 HydrophobicContact CG2-CD1 3.76Å
24G97.6Very high84.4Confident0 Ų052.9 Ų52.90%028%0.279CS..EExtended strand (participates in β ladder)trans-100.7138.4168.800000110.6V75 I104 T106 V107 F108G24-V75 CarbonylContact C-O 3.57Å; G24-V75 VanDerWaalsContact CA-O 3.3Å; G24-V75 WeakPolarHBondContact CA-O 3.32Å; G24-I104 VanDerWaalsContact N-CG2 3.31Å; G24-T106 PolarHBondContact N-O 3.04Å; G24-V107 CarbonylContact O-C 3.59Å; G24-V107 VanDerWaalsContact O-CA 3.29Å; G24-V107 WeakPolarHBondContact O-CA 3.35Å; G24-F108 PolarHBondContact O-N 3.34Å
25I95.9Very high84Confident2 Ų249.2 Ų49.21%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-121130.9177.1-51.4172.4000108V23 L34 L69 V74 V75 G76 I77 F108 I267V23-I25 HydrophobicContact CG1-CG1 4.47Å; I25-L34 HydrophobicContact CB-CD2 3.97Å; I25-L34 HydrophobicContact CD1-CD1 4.01Å; I25-L34 HydrophobicContact CD1-CD2 3.98Å; I25-L34 HydrophobicContact CG2-CD2 3.9Å; I25-L69 HydrophobicContact CD1-CD2 3.82Å; I25-V74 HydrophobicContact CD1-CB 4.49Å; I25-V74 HydrophobicContact CD1-CG2 4.25Å; I25-V75 PolarHBondContact N-O 2.91Å; I25-G76 CarbonylContact O-C 3.57Å; I25-G76 VanDerWaalsContact O-CA 3.31Å; I25-G76 WeakPolarHBondContact O-CA 3.24Å; I25-I77 PolarHBondContact O-N 3.09Å; I25-F108 CarbonylContact C-O 3.52Å; I25-F108 VanDerWaalsContact CA-O 3.32Å; I25-F108 WeakPolarHBondContact CA-O 3.34Å; I25-F108 HydrophobicContact CG2-CD1 4.19Å; I25-I267 HydrophobicContact CD1-CD1 3.54Å; I25-I267 HydrophobicContact CG1-CD1 3.97Å
26V94.7Very high83.5Confident3 Ų350 Ų502%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-118.8110.2175.1-175.50000109.4I77 R80 I96 M99 V107 F108 L109 T110V26-I77 HydrophobicContact CB-CB 4.48Å; V26-I77 HydrophobicContact CG1-CB 4.23Å; V26-I77 HydrophobicContact CG1-CG2 4.26Å; V26-I77 HydrophobicContact CG2-CB 4.28Å; V26-I77 HydrophobicContact CG2-CG1 4.28Å; V26-R80 PolarHBondContact O-NH2 3.06Å; V26-I96 HydrophobicContact CG2-CD1 3.85Å; V26-M99 HydrophobicContact CG2-CE 4.32Å; V26-M99 HydrophobicContact CG2-SD 4.4Å; V26-V107 HydrophobicContact CG2-CG1 4.28Å; V26-F108 PolarHBondContact N-O 3.06Å; V26-L109 HydrophobicContact CB-CD2 3.69Å; V26-L109 HydrophobicContact CG2-CD2 3.75Å; V26-T110 PolarHBondContact O-N 3.47Å; V26-T110 PolarHBondContact O-OG1 2.72Å
27C90.7Very high83.1Confident11 Ų1151.5 Ų51.57%0.07428%0.277CS..  trans-80.5135.3-174.7-64.40000111.9I77 R80 T110C27-I77 WeakPolarHBondContact CB-O 3.4Å; C27-I77 PolarHBondContact N-O 3.23Å; C27-R80 PolarHBondContact O-NE 3.45Å; C27-R80 PolarHBondContact O-NH2 3.07Å; C27-T110 WeakPolarHBondContact CA-OG1 2.85Å
28G80.3Confident83Confident23 Ų2351.8 Ų51.824%0.23728%0.278CS..  trans-137.4-3.8177.400000115.1G30 T110 M112G28-G30 VanDerWaalsContact C-N 3.3Å; G28-T110 VanDerWaalsContact CA-O 3.29Å; G28-T110 WeakPolarHBondContact CA-O 3.37Å; G28-T110 PolarHBondContact N-O 3.01Å; G28-T110 VanDerWaalsContact N-O 3.08Å; G28-T110 PolarHBondContact N-OG1 3.03Å; G28-M112 PolarHBondContact O-N 2.95Å
29T59.4Low83.3Confident19 Ų1948.2 Ų48.212%0.11727%0.269CS..SBendtrans-80.9-12.3179.847.10000113.2T111 M112 V231 L259T29-T111 WeakPolarHBondContact CG2-O 3.35Å; T29-M112 HydrophobicContact CG2-CG 4.47Å; T29-M112 HydrophobicContact CG2-SD 3.78Å; T29-V231 HydrophobicContact CG2-CB 4.28Å; T29-V231 HydrophobicContact CG2-CG2 3.89Å; T29-L259 HydrophobicContact CG2-CD2 4.3Å
30G52.8Low83.3Confident46 Ų4652 Ų5247%0.47429%0.286SS..  trans86129.9177.100000112.2G28 D32G28-G30 VanDerWaalsContact C-N 3.3Å; G30-D32 PolarHBondContact O-N 3.36Å
31K49.3Very low83.2Confident188 Ų18849 Ų4982%0.81727%0.27SS*.SBendtrans43.70.7159.8-134.3-169.6176.7-169.70121.2D33K31-D33 PolarHBondContact O-N 2.76Å
32D58.7Low83.1Confident31 Ų3154 Ų5417%0.16629%0.288CS..  trans-79.5108.7166.4-68-49.2000106.5G30 L34 K253 S256 R257 L260G30-D32 PolarHBondContact O-N 3.36Å; D32-L34 PolarHBondContact O-N 3.28Å; D32-K253 WeakPolarHBondContact OD1-CE 3.42Å; D32-S256 WeakPolarHBondContact OD2-CB 3.39Å; D32-R257 IonicContact OD1-NE 3.49Å; D32-L260 HydrophobicContact CB-CD1 4.22Å
33D71.7Confident83.2Confident69 Ų6954.9 Ų54.937%0.36929%0.294SS..  trans-69.494.1-162.5-70.8-37.1000109.6K31 S35 D36K31-D33 PolarHBondContact O-N 2.76Å; D33-S35 PolarHBondContact O-N 3.23Å; D33-D36 HydrophobicContact CB-CB 4.28Å; D33-D36 VanDerWaalsContact O-CB 3.31Å; D33-D36 WeakPolarHBondContact O-CB 3.26Å; D33-D36 PolarHBondContact O-N 3.24Å
34L85.5Confident83Confident4 Ų455.2 Ų55.22%0.02130%0.296CS..G310 helixtrans-46.4-32.4167.2171.763.7000110.8I25 D32 D36 H37 M38 I65 L69 L260I25-L34 HydrophobicContact CB-CD2 3.97Å; I25-L34 HydrophobicContact CD1-CD1 4.01Å; I25-L34 HydrophobicContact CD1-CD2 3.98Å; I25-L34 HydrophobicContact CG2-CD2 3.9Å; D32-L34 PolarHBondContact O-N 3.28Å; L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D36 PolarHBondContact O-N 2.92Å; L34-H37 PolarHBondContact O-N 2.83Å; L34-H37 VanDerWaalsContact O-N 3.15Å; L34-M38 HydrophobicContact CD1-SD 4.41Å; L34-M38 HydrophobicContact CD2-SD 4.43Å; L34-M38 HydrophobicContact CG-SD 3.94Å; L34-M38 WeakPolarHBondContact O-CG 3.24Å; L34-I65 HydrophobicContact CB-CD1 3.95Å; L34-I65 HydrophobicContact CD2-CD1 3.85Å; L34-I65 HydrophobicContact CD2-CG1 4.49Å; L34-I65 HydrophobicContact CG-CD1 3.76Å; L34-L69 HydrophobicContact CD1-CD2 4.4Å; L34-L260 HydrophobicContact CD1-CD2 4.22Å
35S86.9Confident82.7Confident29 Ų2960.1 Ų60.120%0.20332%0.317CS..G310 helixtrans-59.6-32.517442.80000114.3D33 H37 M38 E78D33-S35 PolarHBondContact O-N 3.23Å; S35-H37 PolarHBondContact O-N 2.88Å; S35-M38 PolarHBondContact O-N 2.94Å; S35-M38 VanDerWaalsContact O-N 3.13Å; S35-E78 PolarHBondContact OG-OE1 3.49Å
36D86.4Confident82.5Confident129 Ų12960.1 Ų60.169%0.6932%0.317SS*.G310 helixtrans-65.9-25.6175.4-72.3-13.5000112.5D33 L34D33-D36 HydrophobicContact CB-CB 4.28Å; D33-D36 VanDerWaalsContact O-CB 3.31Å; D33-D36 WeakPolarHBondContact O-CB 3.26Å; D33-D36 PolarHBondContact O-N 3.24Å; L34-D36 VanDerWaalsContact C-N 3.32Å; L34-D36 PolarHBondContact O-N 2.92Å
37H86.3Confident82.3Confident68 Ų6865.2 Ų65.232%0.31534%0.344SS..G310 helixtrans-89-3177.5-67.5-95.7000112.9L34 S35 L69L34-H37 PolarHBondContact O-N 2.83Å; L34-H37 VanDerWaalsContact O-N 3.15Å; S35-H37 PolarHBondContact O-N 2.88Å; H37-L69 HydrophobicContact CB-CD1 3.93Å; H37-L69 WeakPolarHBondContact O-CD1 3.43Å
38M91.5Very high82.3Confident16 Ų1669.1 Ų69.18%0.07936%0.361CS..  trans-107137-173.5-70176.764.900112.6L34 S35 C41 I65 H66 Y68 L69 V74L34-M38 HydrophobicContact CD1-SD 4.41Å; L34-M38 HydrophobicContact CD2-SD 4.43Å; L34-M38 HydrophobicContact CG-SD 3.94Å; L34-M38 WeakPolarHBondContact O-CG 3.24Å; S35-M38 PolarHBondContact O-N 2.94Å; S35-M38 VanDerWaalsContact O-N 3.13Å; M38-C41 HydrophobicContact CB-CB 3.75Å; M38-I65 HydrophobicContact SD-CD1 3.6Å; M38-I65 VanDerWaalsContact SD-CD1 3.6Å; M38-I65 HydrophobicContact SD-CG1 4.09Å; M38-H66 VanDerWaalsContact CE-C 3.46Å; M38-Y68 CarbonylContact C-O 3.52Å; M38-Y68 VanDerWaalsContact CA-O 3.28Å; M38-Y68 WeakPolarHBondContact CA-O 3.49Å; M38-L69 HydrophobicContact CG-CB 4.41Å; M38-L69 HydrophobicContact CG-CD1 4.25Å; M38-V74 HydrophobicContact CE-CG2 3.56Å; M38-V74 HydrophobicContact SD-CG2 4.11Å
39K92.7Very high83Confident154 Ų15468.2 Ų68.267%0.6735%0.351SS*.EExtended strand (participates in β ladder)trans-92.9146.1172-65.6179.9-178.5176.20110.9C41 Y68K39-C41 PolarHBondContact O-N 3.08Å; K39-C41 VanDerWaalsContact O-N 3.17Å; K39-Y68 PolarHBondContact N-O 3.38Å; K39-Y68 PolarHBondContact O-N 3.16Å
40L91.1Very high84.6Confident142 Ų14270.2 Ų70.274%0.74336%0.364SS*.EExtended strand (participates in β ladder)trans50.236.5-173.8-56.1175.8000111.4R42 Y68L40-R42 PolarHBondContact O-N 2.84Å; L40-Y68 HydrophobicContact CB-CD2 4.28Å; L40-Y68 HydrophobicContact CD1-CD2 4.06Å; L40-Y68 HydrophobicContact CD1-CE2 3.98Å
41C91.2Very high86.2Confident43 Ų4368.9 Ų68.929%0.29135%0.35SS..EExtended strand (participates in β ladder)trans-71.1126.6-176-171.10000109.7M38 K39 H66M38-C41 HydrophobicContact CB-CB 3.75Å; K39-C41 PolarHBondContact O-N 3.08Å; K39-C41 VanDerWaalsContact O-N 3.17Å; C41-H66 WeakPolarHBondContact CA-O 3.34Å
42R94.3Very high88.2Confident107 Ų10760.6 Ų60.640%0.40431%0.314SS..EExtended strand (participates in β ladder)trans-110.2132.7168.7-74.8-162.853-168.5-15.7109.2D16 L40 I65 H66D16-R42 IonicContact OD1-CZ 3.02Å; D16-R42 IonicContact OD1-NH1 2.67Å; D16-R42 PolarHBondContact OD1-NH1 3.31Å; D16-R42 IonicContact OD1-NH2 2.68Å; D16-R42 PolarHBondContact OD1-NH2 3.03Å; D16-R42 IonicContact OD2-CZ 2.89Å; D16-R42 IonicContact OD2-NE 3.55Å; D16-R42 IonicContact OD2-NH1 2.92Å; D16-R42 PolarHBondContact OD2-NH1 3.34Å; D16-R42 IonicContact OD2-NH2 2.99Å; D16-R42 PolarHBondContact OD2-NH2 2.89Å; L40-R42 PolarHBondContact O-N 2.84Å; R42-I65 CarbonylContact O-C 3.6Å; R42-I65 WeakPolarHBondContact O-CA 3.4Å; R42-H66 PolarHBondContact N-O 3.3Å; R42-H66 PolarHBondContact O-N 3.4Å
43S92.9Very high89.5Confident66 Ų6659.4 Ų59.446%0.46231%0.308SS..EExtended strand (participates in β ladder)trans-112.4119.5175.5-171.70000109.7S63S43-S63 VanDerWaalsContact OG-CB 3.28Å; S43-S63 WeakPolarHBondContact OG-CB 3.33Å
44L92.9Very high89.8Confident10 Ų1058.3 Ų58.35%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-112.5118178.7-67.8171000108.1F12 L13 I49 S63 L64F12-L44 HydrophobicContact CE1-CD1 4.08Å; L13-L44 HydrophobicContact CD2-CD1 3.75Å; L44-I49 HydrophobicContact CB-CD1 3.89Å; L44-I49 HydrophobicContact CB-CG1 3.96Å; L44-I49 HydrophobicContact CD1-CG1 4.36Å; L44-S63 CarbonylContact O-C 3.54Å; L44-S63 VanDerWaalsContact O-CA 3.24Å; L44-S63 WeakPolarHBondContact O-CA 3.42Å; L44-S63 WeakPolarHBondContact O-CB 3.46Å; L44-L64 PolarHBondContact N-O 3.4Å; L44-L64 PolarHBondContact O-N 3.14Å
45K91.4Very high89.1Confident102 Ų10259.2 Ų59.244%0.44331%0.312SS..EExtended strand (participates in β ladder)trans-63.1147.2173.3-64.2173-176.5164.50108.9N47 E48K45-N47 WeakPolarHBondContact CB-OD1 3.25Å; K45-N47 PolarHBondContact O-N 2.93Å; K45-N47 VanDerWaalsContact O-N 3.08Å; K45-E48 HydrophobicContact CB-CG 4.09Å; K45-E48 WeakPolarHBondContact CB-OE2 3.44Å; K45-E48 PolarHBondContact N-OE2 2.87Å; K45-E48 WeakPolarHBondContact O-CB 3.31Å; K45-E48 PolarHBondContact O-N 3.22Å
46Y91.5Very high88.1Confident3 Ų369.3 Ų69.31%0.01235%0.345CS..G310 helixtrans-57.7-29-179-67.2-13.4000114.2E48 I49 F52 P53 P61 G62 S63 L64 I77 T79Y46-E48 VanDerWaalsContact C-N 3.33Å; Y46-I49 PolarHBondContact O-N 3.44Å; Y46-F52 AromaticContact CD1-CD1 3.46Å; Y46-F52 HydrophobicContact CD1-CD1 3.46Å; Y46-F52 VanDerWaalsContact CD1-CD1 3.46Å; Y46-F52 AromaticContact CD1-CE1 3.2Å; Y46-F52 HydrophobicContact CD1-CE1 3.2Å; Y46-F52 HydrophobicContact CD1-CZ 4.09Å; Y46-F52 HydrophobicContact CD2-CD1 4.18Å; Y46-F52 AromaticContact CD2-CE1 3.95Å; Y46-F52 HydrophobicContact CD2-CE1 3.95Å; Y46-F52 HydrophobicContact CE1-CD1 4.13Å; Y46-F52 AromaticContact CE1-CE1 3.36Å; Y46-F52 HydrophobicContact CE1-CE1 3.36Å; Y46-F52 AromaticContact CE1-CZ 3.96Å; Y46-F52 HydrophobicContact CE1-CZ 3.96Å; Y46-F52 HydrophobicContact CE2-CE1 4.14Å; Y46-F52 AromaticContact CG-CD1 3.52Å; Y46-F52 HydrophobicContact CG-CD1 3.52Å; Y46-F52 AromaticContact CG-CE1 3.54Å; Y46-F52 HydrophobicContact CG-CE1 3.54Å; Y46-F52 AromaticContact CZ-CE1 3.89Å; Y46-P53 WeakPolarHBondContact CD2-O 3.06Å; Y46-P61 WeakPolarHBondContact CD2-O 3.19Å; Y46-P61 VanDerWaalsContact CE2-O 3.31Å; Y46-P61 WeakPolarHBondContact CE2-O 3.37Å; Y46-G62 PolarHBondContact N-O 2.76Å; Y46-G62 VanDerWaalsContact N-O 3.16Å; Y46-S63 WeakPolarHBondContact CE1-O 3.5Å; Y46-L64 HydrophobicContact CD1-CB 4.48Å; Y46-L64 HydrophobicContact CE1-CB 4.19Å; Y46-L64 VanDerWaalsContact CE1-N 3.33Å; Y46-I77 VanDerWaalsContact OH-CG2 3.24Å; Y46-I77 WeakPolarHBondContact OH-CG2 2.86Å; Y46-T79 WeakPolarHBondContact CE2-O 3.39Å; Y46-T79 PolarHBondContact OH-N 2.99Å; Y46-T79 PolarHBondContact OH-O 3.02Å
47N90.4Very high86.6Confident110 Ų11065.2 Ų65.259%0.58833%0.333SS*.G310 helixtrans-78.8-12.3176.665-9.9000114.3K45K45-N47 WeakPolarHBondContact CB-OD1 3.25Å; K45-N47 PolarHBondContact O-N 2.93Å; K45-N47 VanDerWaalsContact O-N 3.08Å
48E91.7Very high84.9Confident93 Ų9373 Ų7344%0.43536%0.361SS..G310 helixtrans-85-15.2174-65.4167.6158.900111.6K45 Y46 P50K45-E48 HydrophobicContact CB-CG 4.09Å; K45-E48 WeakPolarHBondContact CB-OE2 3.44Å; K45-E48 PolarHBondContact N-OE2 2.87Å; K45-E48 WeakPolarHBondContact O-CB 3.31Å; K45-E48 PolarHBondContact O-N 3.22Å; Y46-E48 VanDerWaalsContact C-N 3.33Å; E48-P50 WeakPolarHBondContact O-CD 3.5Å
49I94.4Very high83.1Confident4 Ų476.6 Ų76.62%0.02140%0.403CS..SBendtrans-99.2110.9-177.7-53.8167000109.2A9 F12 L13 L44 Y46 G51 F52 L64A9-I49 HydrophobicContact CB-CG2 4.04Å; F12-I49 HydrophobicContact CD1-CB 4.49Å; F12-I49 HydrophobicContact CD1-CG1 4.47Å; F12-I49 HydrophobicContact CD1-CG2 4.06Å; F12-I49 HydrophobicContact CE1-CG1 4.21Å; L13-I49 HydrophobicContact CD1-CG2 4.32Å; L13-I49 HydrophobicContact CD2-CD1 4.21Å; L13-I49 HydrophobicContact CD2-CG1 4.47Å; L13-I49 HydrophobicContact CD2-CG2 4.42Å; L13-I49 HydrophobicContact CG-CG2 4.19Å; L44-I49 HydrophobicContact CB-CD1 3.89Å; L44-I49 HydrophobicContact CB-CG1 3.96Å; L44-I49 HydrophobicContact CD1-CG1 4.36Å; Y46-I49 PolarHBondContact O-N 3.44Å; I49-G51 PolarHBondContact O-N 3.17Å; I49-G51 VanDerWaalsContact O-N 3.14Å; I49-F52 HydrophobicContact CB-CB 3.62Å; I49-F52 HydrophobicContact CB-CG 4.22Å; I49-F52 HydrophobicContact CD1-CD2 4.24Å; I49-F52 HydrophobicContact CD1-CG 4.24Å; I49-F52 HydrophobicContact CG2-CB 3.71Å; I49-F52 HydrophobicContact CG2-CD2 4.09Å; I49-F52 HydrophobicContact CG2-CG 4.22Å; I49-F52 WeakPolarHBondContact O-CB 3.31Å; I49-F52 PolarHBondContact O-N 2.8Å; I49-L64 HydrophobicContact CD1-CB 3.75Å; I49-L64 HydrophobicContact CD1-CD1 4.28Å; I49-L64 HydrophobicContact CD1-CG 4.47Å
50P93.2Very high81.5Confident60 Ų6074.3 Ų74.339%0.3940%0.395SS..THydrogen-bonded Turntrans-57.5120.4-177.2-2635.6000112.5K8 A9 F12 E48 F52K8-P50 CarbonylContact C-O 3.58Å; K8-P50 HydrophobicContact CB-CB 4.37Å; A9-P50 WeakPolarHBondContact CA-O 3.09Å; A9-P50 VanDerWaalsContact CB-O 3.31Å; A9-P50 WeakPolarHBondContact CB-O 3.29Å; A9-P50 PolarHBondContact N-O 2.83Å; F12-P50 HydrophobicContact CB-CG 4.45Å; F12-P50 HydrophobicContact CD2-CG 4.04Å; F12-P50 HydrophobicContact CG-CG 4.27Å; E48-P50 WeakPolarHBondContact O-CD 3.5Å; P50-F52 VanDerWaalsContact C-N 3.31Å; P50-F52 PolarHBondContact O-N 2.86Å
51G87Confident80.4Confident18 Ų1869.6 Ų69.619%0.18637%0.372CS..THydrogen-bonded Turntrans82.4-0.7178.600000115.1M1 I49M1-G51 WeakPolarHBondContact CE-O 3.45Å; I49-G51 PolarHBondContact O-N 3.17Å; I49-G51 VanDerWaalsContact O-N 3.14Å
52F90.3Very high79.9Confident14 Ų1467.5 Ų67.56%0.06136%0.359CS..  trans-72.6143.5175.1-157.9-88.4000110.9Y46 I49 P50 C54 L64 I77 P95 I98Y46-F52 AromaticContact CD1-CD1 3.46Å; Y46-F52 HydrophobicContact CD1-CD1 3.46Å; Y46-F52 VanDerWaalsContact CD1-CD1 3.46Å; Y46-F52 AromaticContact CD1-CE1 3.2Å; Y46-F52 HydrophobicContact CD1-CE1 3.2Å; Y46-F52 HydrophobicContact CD1-CZ 4.09Å; Y46-F52 HydrophobicContact CD2-CD1 4.18Å; Y46-F52 AromaticContact CD2-CE1 3.95Å; Y46-F52 HydrophobicContact CD2-CE1 3.95Å; Y46-F52 HydrophobicContact CE1-CD1 4.13Å; Y46-F52 AromaticContact CE1-CE1 3.36Å; Y46-F52 HydrophobicContact CE1-CE1 3.36Å; Y46-F52 AromaticContact CE1-CZ 3.96Å; Y46-F52 HydrophobicContact CE1-CZ 3.96Å; Y46-F52 HydrophobicContact CE2-CE1 4.14Å; Y46-F52 AromaticContact CG-CD1 3.52Å; Y46-F52 HydrophobicContact CG-CD1 3.52Å; Y46-F52 AromaticContact CG-CE1 3.54Å; Y46-F52 HydrophobicContact CG-CE1 3.54Å; Y46-F52 AromaticContact CZ-CE1 3.89Å; I49-F52 HydrophobicContact CB-CB 3.62Å; I49-F52 HydrophobicContact CB-CG 4.22Å; I49-F52 HydrophobicContact CD1-CD2 4.24Å; I49-F52 HydrophobicContact CD1-CG 4.24Å; I49-F52 HydrophobicContact CG2-CB 3.71Å; I49-F52 HydrophobicContact CG2-CD2 4.09Å; I49-F52 HydrophobicContact CG2-CG 4.22Å; I49-F52 WeakPolarHBondContact O-CB 3.31Å; I49-F52 PolarHBondContact O-N 2.8Å; P50-F52 VanDerWaalsContact C-N 3.31Å; P50-F52 PolarHBondContact O-N 2.86Å; F52-C54 PolarHBondContact O-N 3.21Å; F52-L64 HydrophobicContact CE2-CD1 3.81Å; F52-L64 HydrophobicContact CZ-CD1 4.23Å; F52-I77 HydrophobicContact CZ-CD1 3.97Å; F52-P95 HydrophobicContact CE1-CG 4.31Å; F52-P95 HydrophobicContact CZ-CB 4.01Å; F52-P95 HydrophobicContact CZ-CG 3.79Å; F52-I98 HydrophobicContact CD2-CD1 3.48Å; F52-I98 VanDerWaalsContact CD2-CD1 3.48Å; F52-I98 HydrophobicContact CE2-CD1 3.66Å
53P85.5Confident79.7Confident6 Ų662.7 Ų62.74%0.03934%0.341CS..  trans-72122.2-178.834.3-41000110.9M1 Y46 L81 L91 T94 P95M1-P53 HydrophobicContact CE-CB 3.83Å; M1-P53 HydrophobicContact CE-CG 4.26Å; Y46-P53 WeakPolarHBondContact CD2-O 3.06Å; P53-L81 HydrophobicContact CB-CD1 3.5Å; P53-L81 VanDerWaalsContact CB-CD1 3.5Å; P53-L81 HydrophobicContact CG-CD1 3.74Å; P53-L91 HydrophobicContact CB-CD1 3.56Å; P53-L91 HydrophobicContact CB-CD2 4.3Å; P53-L91 HydrophobicContact CB-CG 3.66Å; P53-T94 HydrophobicContact CG-CG2 4.21Å; P53-P95 HydrophobicContact CG-CG 4.37Å
54C78.8Confident79.8Confident46 Ų4659.7 Ų59.731%0.31132%0.32SS..  trans-108.4133178.2-172.70000110.7F52F52-C54 PolarHBondContact O-N 3.21Å
55P71Confident79.8Confident24 Ų2459.2 Ų59.216%0.15632%0.317CS..  trans-56.5142.1169.7-16.923.9000111.5P61 L81 Y87P55-P61 WeakPolarHBondContact CD-O 3.33Å; P55-P61 VanDerWaalsContact CG-O 3.25Å; P55-P61 WeakPolarHBondContact CG-O 3.48Å; P55-L81 HydrophobicContact CB-CD2 4.15Å; P55-L81 HydrophobicContact CG-CD2 3.62Å; P55-Y87 WeakPolarHBondContact CA-OH 3.39Å; P55-Y87 VanDerWaalsContact CB-OH 3.31Å; P55-Y87 WeakPolarHBondContact CB-OH 3.46Å
56R65.4Low80Confident241 Ų24154.4 Ų54.491%0.90930%0.296SS*.SBendtrans-94.49.6178-79.4-167.2-91.9-145.2-2.7114.4Y87R56-Y87 PolarHBondContact N-OH 2.79Å
57G56.2Low80.2Confident42 Ų4254.2 Ų54.243%0.43330%0.296SS..SBendtrans-170.5152.9-179.600000113.3
58Y49.7Very low80.4Confident231 Ų23152.7 Ų52.791%0.90628%0.282SS*.SBendtrans69.9116.7178.2-57.3-77.7000118.4H60Y58-H60 VanDerWaalsContact C-N 3.3Å; Y58-H60 PolarHBondContact O-N 2.96Å
59G52.8Low80.5Confident93 Ų9348.4 Ų48.496%0.95926%0.262SS*.SBendtrans65.9-53.2142.400000119.6
60H60.1Low80.3Confident106 Ų10649.7 Ų49.749%0.49128%0.276SS..  trans-146.6113.8-174.7-156.5-80.2000109Y58 G62Y58-H60 VanDerWaalsContact C-N 3.3Å; Y58-H60 PolarHBondContact O-N 2.96Å; H60-G62 PolarHBondContact ND1-N 2.75Å; H60-G62 PolarHBondContact O-N 3.2Å
61P67.1Low80.3Confident42 Ų4252.5 Ų52.527%0.27328%0.284SS..  trans-62.8-15179.526.8-33.5000112.1Y46 P55Y46-P61 WeakPolarHBondContact CD2-O 3.19Å; Y46-P61 VanDerWaalsContact CE2-O 3.31Å; Y46-P61 WeakPolarHBondContact CE2-O 3.37Å; P55-P61 WeakPolarHBondContact CD-O 3.33Å; P55-P61 VanDerWaalsContact CG-O 3.25Å; P55-P61 WeakPolarHBondContact CG-O 3.48Å
62G82.4Confident80.7Confident0 Ų054 Ų540%029%0.286CS..  trans81.3155.7-16900000110.3Y46 H60Y46-G62 PolarHBondContact N-O 2.76Å; Y46-G62 VanDerWaalsContact N-O 3.16Å; H60-G62 PolarHBondContact ND1-N 2.75Å; H60-G62 PolarHBondContact O-N 3.2Å
63S89.8Confident81Confident6 Ų654.5 Ų54.54%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-133.4147.5177.9-48.60000110.3S43 L44 Y46 E78S43-S63 VanDerWaalsContact OG-CB 3.28Å; S43-S63 WeakPolarHBondContact OG-CB 3.33Å; L44-S63 CarbonylContact O-C 3.54Å; L44-S63 VanDerWaalsContact O-CA 3.24Å; L44-S63 WeakPolarHBondContact O-CA 3.42Å; L44-S63 WeakPolarHBondContact O-CB 3.46Å; Y46-S63 WeakPolarHBondContact CE1-O 3.5Å; S63-E78 WeakPolarHBondContact CB-OE2 3.44Å; S63-E78 PolarHBondContact O-N 3.02Å; S63-E78 VanDerWaalsContact O-N 3.12Å
64L93.3Very high81.5Confident2 Ų254.2 Ų54.21%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-93.8124.4163.9180156.3000106L13 L44 Y46 I49 F52 V75 G76 I77L13-L64 HydrophobicContact CD1-CD1 3.82Å; L13-L64 HydrophobicContact CD2-CD1 4.26Å; L13-L64 HydrophobicContact CD2-CD2 3.84Å; L44-L64 PolarHBondContact N-O 3.4Å; L44-L64 PolarHBondContact O-N 3.14Å; Y46-L64 HydrophobicContact CD1-CB 4.48Å; Y46-L64 HydrophobicContact CE1-CB 4.19Å; Y46-L64 VanDerWaalsContact CE1-N 3.33Å; I49-L64 HydrophobicContact CD1-CB 3.75Å; I49-L64 HydrophobicContact CD1-CD1 4.28Å; I49-L64 HydrophobicContact CD1-CG 4.47Å; F52-L64 HydrophobicContact CE2-CD1 3.81Å; F52-L64 HydrophobicContact CZ-CD1 4.23Å; L64-V75 HydrophobicContact CD1-CG1 3.96Å; L64-V75 HydrophobicContact CD2-CG1 3.89Å; L64-V75 HydrophobicContact CG-CG1 3.81Å; L64-G76 CarbonylContact C-O 3.53Å; L64-G76 WeakPolarHBondContact CA-O 3.28Å; L64-I77 HydrophobicContact CB-CD1 4.21Å; L64-I77 HydrophobicContact CD1-CD1 3.88Å; L64-I77 HydrophobicContact CG-CD1 4Å
65I93.6Very high82.4Confident0 Ų052 Ų520%027%0.271CS..EExtended strand (participates in β ladder)trans-108.5150175.863.7175.7000110.2L34 M38 R42 V75 G76 E78L34-I65 HydrophobicContact CB-CD1 3.95Å; L34-I65 HydrophobicContact CD2-CD1 3.85Å; L34-I65 HydrophobicContact CD2-CG1 4.49Å; L34-I65 HydrophobicContact CG-CD1 3.76Å; M38-I65 HydrophobicContact SD-CD1 3.6Å; M38-I65 VanDerWaalsContact SD-CD1 3.6Å; M38-I65 HydrophobicContact SD-CG1 4.09Å; R42-I65 CarbonylContact O-C 3.6Å; R42-I65 WeakPolarHBondContact O-CA 3.4Å; I65-V75 CarbonylContact O-C 3.51Å; I65-V75 WeakPolarHBondContact O-CA 3.22Å; I65-G76 PolarHBondContact N-O 3.12Å; I65-G76 PolarHBondContact O-N 2.62Å; I65-E78 HydrophobicContact CD1-CG 4.1Å; I65-E78 HydrophobicContact CG1-CG 4.3Å; I65-E78 HydrophobicContact CG2-CG 4Å; I65-E78 WeakPolarHBondContact CG2-OE1 3.36Å
66H95.7Very high83.5Confident1 Ų150.9 Ų50.91%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-148.7152.1169.861.383.7000111.1D16 M17 M38 C41 R42 Y73 V74 V75D16-H66 IonicContact OD2-CE1 3.24Å; D16-H66 PolarHBondContact OD2-CE1 3.49Å; D16-H66 VanDerWaalsContact OD2-CE1 3.24Å; D16-H66 IonicContact OD2-NE2 2.94Å; D16-H66 PolarHBondContact OD2-NE2 2.87Å; M17-H66 HydrophobicContact CG-CB 4.31Å; M17-H66 HydrophobicContact SD-CB 4.14Å; M38-H66 VanDerWaalsContact CE-C 3.46Å; C41-H66 WeakPolarHBondContact CA-O 3.34Å; R42-H66 PolarHBondContact N-O 3.3Å; R42-H66 PolarHBondContact O-N 3.4Å; H66-Y73 HydrophobicContact CB-CE1 4.39Å; H66-Y73 AromaticContact ND1-CZ 3.76Å; H66-Y73 PolarHBondContact ND1-OH 3.29Å; H66-V74 WeakPolarHBondContact CA-O 3.17Å; H66-V74 WeakPolarHBondContact CB-O 3.38Å; H66-V75 HydrophobicContact CB-CG2 4.1Å
67G95.5Very high84.8Confident0 Ų039.5 Ų39.50%022%0.221CC..EExtended strand (participates in β ladder)trans160-165.1-17200000111.1Y73 V74G67-Y73 CarbonylContact O-C 3.5Å; G67-Y73 WeakPolarHBondContact O-CA 3.41Å; G67-V74 PolarHBondContact N-O 3.44Å; G67-V74 PolarHBondContact O-N 3.03Å
68Y95.2Very high86.3Confident78 Ų7839.2 Ų39.231%0.30621%0.208SC..EExtended strand (participates in β ladder)trans-95.7125.2-178.7-69.7-88.9000111.7M38 K39 L40 K72 Y73M38-Y68 CarbonylContact C-O 3.52Å; M38-Y68 VanDerWaalsContact CA-O 3.28Å; M38-Y68 WeakPolarHBondContact CA-O 3.49Å; K39-Y68 PolarHBondContact N-O 3.38Å; K39-Y68 PolarHBondContact O-N 3.16Å; L40-Y68 HydrophobicContact CB-CD2 4.28Å; L40-Y68 HydrophobicContact CD1-CD2 4.06Å; L40-Y68 HydrophobicContact CD1-CE2 3.98Å; Y68-K72 CarbonylContact C-O 3.58Å; Y68-K72 VanDerWaalsContact CA-O 3.31Å; Y68-K72 WeakPolarHBondContact CA-O 3.24Å; Y68-Y73 HydrophobicContact CD1-CD2 4.18Å; Y68-Y73 AromaticContact CD2-CD2 3.84Å; Y68-Y73 HydrophobicContact CD2-CD2 3.84Å; Y68-Y73 HydrophobicContact CD2-CE2 4.21Å; Y68-Y73 AromaticContact CE1-CD2 3.98Å; Y68-Y73 HydrophobicContact CE1-CD2 3.98Å; Y68-Y73 AromaticContact CE2-CD2 3.61Å; Y68-Y73 HydrophobicContact CE2-CD2 3.61Å; Y68-Y73 AromaticContact CE2-CE2 3.93Å; Y68-Y73 HydrophobicContact CE2-CE2 3.93Å; Y68-Y73 HydrophobicContact CG-CD2 4.12Å; Y68-Y73 AromaticContact CZ-CD2 3.69Å
69L93.4Very high88Confident2 Ų230.8 Ų30.81%0.0118%0.181CC..EExtended strand (participates in β ladder)trans-108.7105167.1-172.962.2000107.6I25 L34 H37 M38 H71 K72 V74 E264 I267 N268I25-L69 HydrophobicContact CD1-CD2 3.82Å; L34-L69 HydrophobicContact CD1-CD2 4.4Å; H37-L69 HydrophobicContact CB-CD1 3.93Å; H37-L69 WeakPolarHBondContact O-CD1 3.43Å; M38-L69 HydrophobicContact CG-CB 4.41Å; M38-L69 HydrophobicContact CG-CD1 4.25Å; L69-H71 PolarHBondContact O-N 3.18Å; L69-K72 PolarHBondContact N-O 3.1Å; L69-K72 PolarHBondContact O-N 3.37Å; L69-V74 HydrophobicContact CB-CG1 4.25Å; L69-V74 HydrophobicContact CB-CG2 3.88Å; L69-E264 HydrophobicContact CD1-CB 3.86Å; L69-E264 HydrophobicContact CD1-CG 3.88Å; L69-E264 HydrophobicContact CD2-CB 4.17Å; L69-E264 HydrophobicContact CG-CB 3.89Å; L69-E264 HydrophobicContact CG-CG 3.89Å; L69-I267 HydrophobicContact CD2-CD1 3.71Å; L69-N268 PolarHBondContact O-ND2 3.22Å
70G90.7Very high89.6Confident31 Ų3128 Ų2832%0.3214%0.141SC..THydrogen-bonded Turntrans59.5-122-160.200000111.7N268G70-N268 WeakPolarHBondContact CA-OD1 3.49Å
71H92.9Very high90.9Very high120 Ų12023.3 Ų23.356%0.55612%0.12SC*.THydrogen-bonded Turntrans-98.91.617971.1-87.5000114.1L69 N268L69-H71 PolarHBondContact O-N 3.18Å; H71-N268 PolarHBondContact CE1-O 3.37Å; H71-N268 PolarHBondContact CE1-OD1 3.33Å; H71-N268 VanDerWaalsContact CE1-OD1 3.23Å; H71-N268 PolarHBondContact N-OD1 3.01Å; H71-N268 PolarHBondContact ND1-OD1 3.36Å
72K95.3Very high91.8Very high50 Ų5026.3 Ų26.322%0.21713%0.126CC..EExtended strand (participates in β ladder)trans-102.6139.7-178.4-63.1-66.4-167.5175.50111.2Y68 L69 V74 I267 L270Y68-K72 CarbonylContact C-O 3.58Å; Y68-K72 VanDerWaalsContact CA-O 3.31Å; Y68-K72 WeakPolarHBondContact CA-O 3.24Å; L69-K72 PolarHBondContact N-O 3.1Å; L69-K72 PolarHBondContact O-N 3.37Å; K72-V74 HydrophobicContact CB-CG1 4.4Å; K72-I267 HydrophobicContact CB-CG2 3.68Å; K72-I267 HydrophobicContact CG-CG2 3.84Å; K72-L270 WeakPolarHBondContact CE-OXT 3.28Å; K72-L270 PolarHBondContact NZ-OXT 2.96Å
73Y96.4Very high92Very high23 Ų2327.3 Ų27.39%0.0913%0.132CC..EExtended strand (participates in β ladder)trans-88.2123.9173.9-161.2-98.3000110.4M17 V19 P21 S22 H66 G67 Y68M17-Y73 HydrophobicContact CB-CE1 3.96Å; M17-Y73 HydrophobicContact CG-CE1 4.03Å; M17-Y73 HydrophobicContact SD-CE1 3.99Å; V19-Y73 HydrophobicContact CB-CD1 4.07Å; V19-Y73 HydrophobicContact CB-CE1 4.18Å; V19-Y73 HydrophobicContact CB-CG 4.24Å; V19-Y73 HydrophobicContact CG1-CD1 4.03Å; V19-Y73 HydrophobicContact CG1-CD2 4.47Å; V19-Y73 HydrophobicContact CG1-CG 3.92Å; P21-Y73 WeakPolarHBondContact CA-O 3.01Å; P21-Y73 HydrophobicContact CB-CD1 4.05Å; S22-Y73 PolarHBondContact N-O 3.28Å; S22-Y73 PolarHBondContact OG-O 3.09Å; H66-Y73 HydrophobicContact CB-CE1 4.39Å; H66-Y73 AromaticContact ND1-CZ 3.76Å; H66-Y73 PolarHBondContact ND1-OH 3.29Å; G67-Y73 CarbonylContact O-C 3.5Å; G67-Y73 WeakPolarHBondContact O-CA 3.41Å; Y68-Y73 HydrophobicContact CD1-CD2 4.18Å; Y68-Y73 AromaticContact CD2-CD2 3.84Å; Y68-Y73 HydrophobicContact CD2-CD2 3.84Å; Y68-Y73 HydrophobicContact CD2-CE2 4.21Å; Y68-Y73 AromaticContact CE1-CD2 3.98Å; Y68-Y73 HydrophobicContact CE1-CD2 3.98Å; Y68-Y73 AromaticContact CE2-CD2 3.61Å; Y68-Y73 HydrophobicContact CE2-CD2 3.61Å; Y68-Y73 AromaticContact CE2-CE2 3.93Å; Y68-Y73 HydrophobicContact CE2-CE2 3.93Å; Y68-Y73 HydrophobicContact CG-CD2 4.12Å; Y68-Y73 AromaticContact CZ-CD2 3.69Å
74V96.8Very high91.8Very high0 Ų029 Ų290%014%0.139CC..EExtended strand (participates in β ladder)trans-129.6159.9-170.9-550000112.2V23 I25 M38 H66 G67 L69 K72 I267V23-V74 HydrophobicContact CB-CG1 4.14Å; V23-V74 WeakPolarHBondContact O-CA 3.5Å; V23-V74 WeakPolarHBondContact O-CB 3.47Å; I25-V74 HydrophobicContact CD1-CB 4.49Å; I25-V74 HydrophobicContact CD1-CG2 4.25Å; M38-V74 HydrophobicContact CE-CG2 3.56Å; M38-V74 HydrophobicContact SD-CG2 4.11Å; H66-V74 WeakPolarHBondContact CA-O 3.17Å; H66-V74 WeakPolarHBondContact CB-O 3.38Å; G67-V74 PolarHBondContact N-O 3.44Å; G67-V74 PolarHBondContact O-N 3.03Å; L69-V74 HydrophobicContact CB-CG1 4.25Å; L69-V74 HydrophobicContact CB-CG2 3.88Å; K72-V74 HydrophobicContact CB-CG1 4.4Å; V74-I267 HydrophobicContact CG1-CG2 4.01Å
75V96.6Very high91.4Very high0 Ų032.3 Ų32.30%016%0.157CC..EExtended strand (participates in β ladder)trans-115.8129.5168.7173.40000109M17 P21 V23 G24 I25 L64 I65 H66 M99 L102 I104M17-V75 HydrophobicContact SD-CG2 3.72Å; P21-V75 HydrophobicContact CB-CG2 3.75Å; P21-V75 HydrophobicContact CG-CG2 3.69Å; V23-V75 PolarHBondContact O-N 3.1Å; G24-V75 CarbonylContact C-O 3.57Å; G24-V75 VanDerWaalsContact CA-O 3.3Å; G24-V75 WeakPolarHBondContact CA-O 3.32Å; I25-V75 PolarHBondContact N-O 2.91Å; L64-V75 HydrophobicContact CD1-CG1 3.96Å; L64-V75 HydrophobicContact CD2-CG1 3.89Å; L64-V75 HydrophobicContact CG-CG1 3.81Å; I65-V75 CarbonylContact O-C 3.51Å; I65-V75 WeakPolarHBondContact O-CA 3.22Å; H66-V75 HydrophobicContact CB-CG2 4.1Å; V75-M99 HydrophobicContact CB-CE 4.32Å; V75-M99 HydrophobicContact CG1-CE 3.86Å; V75-L102 HydrophobicContact CG2-CD1 4.42Å; V75-I104 HydrophobicContact CB-CD1 3.97Å; V75-I104 HydrophobicContact CG2-CD1 4.12Å
76G94.6Very high91Very high0 Ų035.7 Ų35.70%019%0.191CC..EExtended strand (participates in β ladder)trans-112.5139.3176.300000112.3I25 L64 I65I25-G76 CarbonylContact O-C 3.57Å; I25-G76 VanDerWaalsContact O-CA 3.31Å; I25-G76 WeakPolarHBondContact O-CA 3.24Å; L64-G76 CarbonylContact C-O 3.53Å; L64-G76 WeakPolarHBondContact CA-O 3.28Å; I65-G76 PolarHBondContact N-O 3.12Å; I65-G76 PolarHBondContact O-N 2.62Å
77I93Very high90.6Very high3 Ų337.3 Ų37.32%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-106.4105.3168.1-59.6-56.3000106.9I25 V26 C27 Y46 F52 L64 T79 P95 M99I25-I77 PolarHBondContact O-N 3.09Å; V26-I77 HydrophobicContact CB-CB 4.48Å; V26-I77 HydrophobicContact CG1-CB 4.23Å; V26-I77 HydrophobicContact CG1-CG2 4.26Å; V26-I77 HydrophobicContact CG2-CB 4.28Å; V26-I77 HydrophobicContact CG2-CG1 4.28Å; C27-I77 WeakPolarHBondContact CB-O 3.4Å; C27-I77 PolarHBondContact N-O 3.23Å; Y46-I77 VanDerWaalsContact OH-CG2 3.24Å; Y46-I77 WeakPolarHBondContact OH-CG2 2.86Å; F52-I77 HydrophobicContact CZ-CD1 3.97Å; L64-I77 HydrophobicContact CB-CD1 4.21Å; L64-I77 HydrophobicContact CD1-CD1 3.88Å; L64-I77 HydrophobicContact CG-CD1 4Å; I77-T79 VanDerWaalsContact C-N 3.35Å; I77-P95 HydrophobicContact CD1-CB 3.92Å; I77-P95 HydrophobicContact CG1-CB 3.95Å; I77-M99 HydrophobicContact CD1-CE 4.17Å; I77-M99 HydrophobicContact CG1-CE 3.53Å
78E87.3Confident90.2Very high36 Ų3645.1 Ų45.117%0.16823%0.232CC..SBendtrans-72.7-30.4-174.6-67-174.4140.500112.2S35 S63 I65S35-E78 PolarHBondContact OG-OE1 3.49Å; S63-E78 WeakPolarHBondContact CB-OE2 3.44Å; S63-E78 PolarHBondContact O-N 3.02Å; S63-E78 VanDerWaalsContact O-N 3.12Å; I65-E78 HydrophobicContact CD1-CG 4.1Å; I65-E78 HydrophobicContact CG1-CG 4.3Å; I65-E78 HydrophobicContact CG2-CG 4Å; I65-E78 WeakPolarHBondContact CG2-OE1 3.36Å
79T85.1Confident89.8Confident54 Ų5442.8 Ų42.833%0.33122%0.224SC..SBendtrans-136.7116.7-178.4-56.60000111.4Y46 I77Y46-T79 WeakPolarHBondContact CE2-O 3.39Å; Y46-T79 PolarHBondContact OH-N 2.99Å; Y46-T79 PolarHBondContact OH-O 3.02Å; I77-T79 VanDerWaalsContact C-N 3.35Å
80R86.6Confident89.5Confident33 Ų3345 Ų4513%0.12524%0.24CC..  trans-74.3144.2174.171-171.267.1-123.41.1111.9V26 C27 R82 T110 D215V26-R80 PolarHBondContact O-NH2 3.06Å; C27-R80 PolarHBondContact O-NE 3.45Å; C27-R80 PolarHBondContact O-NH2 3.07Å; R80-R82 HydrophobicContact CG-CG 3.95Å; R80-T110 PolarHBondContact NH2-O 3.26Å; R80-D215 IonicContact NH1-OD2 2.79Å; R80-D215 PolarHBondContact NH1-OD2 3.42Å
81L87.1Confident89.4Confident8 Ų845.6 Ų45.64%0.04224%0.236CC..  trans-76138.7162.6-66.4172.7000109.3P53 P55 Y87 L91 C92P53-L81 HydrophobicContact CB-CD1 3.5Å; P53-L81 VanDerWaalsContact CB-CD1 3.5Å; P53-L81 HydrophobicContact CG-CD1 3.74Å; P55-L81 HydrophobicContact CB-CD2 4.15Å; P55-L81 HydrophobicContact CG-CD2 3.62Å; L81-Y87 HydrophobicContact CB-CD2 4.22Å; L81-Y87 HydrophobicContact CB-CG 4.44Å; L81-Y87 HydrophobicContact CD2-CD1 4.43Å; L81-Y87 HydrophobicContact CD2-CD2 3.97Å; L81-Y87 HydrophobicContact CD2-CE1 4.3Å; L81-Y87 HydrophobicContact CD2-CE2 3.85Å; L81-Y87 HydrophobicContact CD2-CG 4.3Å; L81-L91 HydrophobicContact CD1-CD2 4.36Å; L81-L91 HydrophobicContact CD1-CG 4.21Å; L81-C92 HydrophobicContact CB-CB 4.35Å
82R86.7Confident89.3Confident106 Ų10640.1 Ų40.140%0.421%0.211SC..  trans-116131.2-173.6-54.8173.6-56.2175.11.6109.4R80 F84 D85 Y87R80-R82 HydrophobicContact CG-CG 3.95Å; R82-F84 HydrophobicContact CB-CD1 3.97Å; R82-F84 HydrophobicContact CB-CD2 4.18Å; R82-F84 HydrophobicContact CB-CE1 3.75Å; R82-F84 HydrophobicContact CB-CE2 3.96Å; R82-F84 HydrophobicContact CB-CG 4.24Å; R82-F84 HydrophobicContact CB-CZ 3.81Å; R82-F84 HydrophobicContact CG-CE1 4.2Å; R82-F84 HydrophobicContact CG-CE2 4.43Å; R82-F84 HydrophobicContact CG-CZ 4.01Å; R82-F84 PolarHBondContact O-N 3.24Å; R82-D85 HydrophobicContact CB-CB 4.49Å; R82-D85 IonicContact CZ-OD1 3.17Å; R82-D85 IonicContact CZ-OD2 3.47Å; R82-D85 IonicContact NE-OD1 2.71Å; R82-D85 IonicContact NE-OD2 3.72Å; R82-D85 PolarHBondContact NE-OD2 3.08Å; R82-D85 IonicContact NH2-OD1 2.81Å; R82-D85 PolarHBondContact NH2-OD1 2.84Å; R82-D85 IonicContact NH2-OD2 3.62Å; R82-D85 PolarHBondContact NH2-OD2 2.88Å; R82-D85 WeakPolarHBondContact O-CB 3.28Å; R82-D85 PolarHBondContact O-N 3.19Å; R82-Y87 WeakPolarHBondContact O-CD2 3.31Å
83S85.6Confident89.1Confident20 Ų2037.8 Ų37.814%0.1420%0.201CC..G310 helixtrans-60.7-34.2-179.251.80000112.5D85 G86 Y87S83-D85 PolarHBondContact O-N 3.05Å; S83-G86 PolarHBondContact O-N 2.96Å; S83-Y87 WeakPolarHBondContact CA-O 3.5Å
84F86.1Confident88.9Confident42 Ų4236.7 Ų36.718%0.18420%0.196CC..G310 helixtrans-71.8-10176.759.9-102.7000114.7R82 G86 N187 P189 M210R82-F84 HydrophobicContact CB-CD1 3.97Å; R82-F84 HydrophobicContact CB-CD2 4.18Å; R82-F84 HydrophobicContact CB-CE1 3.75Å; R82-F84 HydrophobicContact CB-CE2 3.96Å; R82-F84 HydrophobicContact CB-CG 4.24Å; R82-F84 HydrophobicContact CB-CZ 3.81Å; R82-F84 HydrophobicContact CG-CE1 4.2Å; R82-F84 HydrophobicContact CG-CE2 4.43Å; R82-F84 HydrophobicContact CG-CZ 4.01Å; R82-F84 PolarHBondContact O-N 3.24Å; F84-G86 PolarHBondContact O-N 3.17Å; F84-N187 WeakPolarHBondContact CB-O 3.48Å; F84-N187 WeakPolarHBondContact CD1-O 3.37Å; F84-P189 HydrophobicContact CB-CB 4.39Å; F84-P189 HydrophobicContact CD2-CB 3.8Å; F84-P189 HydrophobicContact CE2-CB 4.32Å; F84-P189 HydrophobicContact CG-CB 4.32Å; F84-M210 HydrophobicContact CD1-CB 4.35Å; F84-M210 HydrophobicContact CE1-CB 3.62Å; F84-M210 HydrophobicContact CE1-SD 4.32Å; F84-M210 HydrophobicContact CZ-CB 4.31Å; F84-M210 HydrophobicContact CZ-SD 4.32Å
85D85.9Confident88.8Confident72 Ų7237.1 Ų37.139%0.38520%0.199SC..G310 helixtrans-84.88.5166.9-64.3-26.2000112.1R82 S83 Y87R82-D85 HydrophobicContact CB-CB 4.49Å; R82-D85 IonicContact CZ-OD1 3.17Å; R82-D85 IonicContact CZ-OD2 3.47Å; R82-D85 IonicContact NE-OD1 2.71Å; R82-D85 IonicContact NE-OD2 3.72Å; R82-D85 PolarHBondContact NE-OD2 3.08Å; R82-D85 IonicContact NH2-OD1 2.81Å; R82-D85 PolarHBondContact NH2-OD1 2.84Å; R82-D85 IonicContact NH2-OD2 3.62Å; R82-D85 PolarHBondContact NH2-OD2 2.88Å; R82-D85 WeakPolarHBondContact O-CB 3.28Å; R82-D85 PolarHBondContact O-N 3.19Å; S83-D85 PolarHBondContact O-N 3.05Å; D85-Y87 HydrophobicContact CB-CD2 3.77Å; D85-Y87 HydrophobicContact CB-CE2 3.62Å
86G84.8Confident88.7Confident70 Ų7037.2 Ų37.272%0.72220%0.2SC*.THydrogen-bonded Turntrans89.44.6179.700000114.7S83 F84S83-G86 PolarHBondContact O-N 2.96Å; F84-G86 PolarHBondContact O-N 3.17Å
87Y86.8Confident88.7Confident36 Ų3637.7 Ų37.714%0.14120%0.202CC..  trans-77.6138.3174.7-59.3-68.9000111.3P55 R56 L81 R82 S83 D85 L91P55-Y87 WeakPolarHBondContact CA-OH 3.39Å; P55-Y87 VanDerWaalsContact CB-OH 3.31Å; P55-Y87 WeakPolarHBondContact CB-OH 3.46Å; R56-Y87 PolarHBondContact N-OH 2.79Å; L81-Y87 HydrophobicContact CB-CD2 4.22Å; L81-Y87 HydrophobicContact CB-CG 4.44Å; L81-Y87 HydrophobicContact CD2-CD1 4.43Å; L81-Y87 HydrophobicContact CD2-CD2 3.97Å; L81-Y87 HydrophobicContact CD2-CE1 4.3Å; L81-Y87 HydrophobicContact CD2-CE2 3.85Å; L81-Y87 HydrophobicContact CD2-CG 4.3Å; R82-Y87 WeakPolarHBondContact O-CD2 3.31Å; S83-Y87 WeakPolarHBondContact CA-O 3.5Å; D85-Y87 HydrophobicContact CB-CD2 3.77Å; D85-Y87 HydrophobicContact CB-CE2 3.62Å; Y87-L91 HydrophobicContact CD1-CD2 3.8Å; Y87-L91 HydrophobicContact CG-CD2 4.46Å
88K87.6Confident88.8Confident164 Ų16437.6 Ų37.671%0.71320%0.202SC*.  trans-63139.8171.1-65.7-176.2178.2-177.60109.4S90 L91 C92K88-S90 PolarHBondContact O-N 3.16Å; K88-L91 HydrophobicContact CB-CB 4.5Å; K88-L91 WeakPolarHBondContact O-CA 3.35Å; K88-L91 WeakPolarHBondContact O-CB 3.45Å; K88-L91 PolarHBondContact O-N 2.93Å; K88-C92 PolarHBondContact O-N 3.13Å; K88-C92 PolarHBondContact O-SG 2.79Å
89L87.7Confident89.2Confident28 Ų2836 Ų3615%0.14719%0.194CC..Hα-helixtrans-56.9-36.1178.4-77170000113.4L91 C92 V93 K140 I142 H214L89-L91 PolarHBondContact O-N 3.41Å; L89-C92 WeakPolarHBondContact O-CB 3.31Å; L89-C92 PolarHBondContact O-N 3.15Å; L89-V93 WeakPolarHBondContact O-CG2 3.4Å; L89-V93 PolarHBondContact O-N 2.88Å; L89-K140 WeakPolarHBondContact CD1-O 3.49Å; L89-I142 HydrophobicContact CB-CG1 3.94Å; L89-H214 HydrophobicContact CD2-CB 4.21Å
90S86.7Confident89.7Confident50 Ų5036.2 Ų36.235%0.3519%0.191SC..Hα-helixtrans-62.9-23.5174.562.30000113.6K88 T94K88-S90 PolarHBondContact O-N 3.16Å; S90-T94 PolarHBondContact O-OG1 3.07Å
91L88.6Confident90.1Very high42 Ų4237.5 Ų37.522%0.2220%0.198CC..Hα-helixtrans-80.5-44.6170.1-165.373.1000110.5M1 P53 L81 Y87 K88 L89 V93 T94M1-L91 HydrophobicContact CE-CD1 3.53Å; P53-L91 HydrophobicContact CB-CD1 3.56Å; P53-L91 HydrophobicContact CB-CD2 4.3Å; P53-L91 HydrophobicContact CB-CG 3.66Å; L81-L91 HydrophobicContact CD1-CD2 4.36Å; L81-L91 HydrophobicContact CD1-CG 4.21Å; Y87-L91 HydrophobicContact CD1-CD2 3.8Å; Y87-L91 HydrophobicContact CG-CD2 4.46Å; K88-L91 HydrophobicContact CB-CB 4.5Å; K88-L91 WeakPolarHBondContact O-CA 3.35Å; K88-L91 WeakPolarHBondContact O-CB 3.45Å; K88-L91 PolarHBondContact O-N 2.93Å; L89-L91 PolarHBondContact O-N 3.41Å; L91-V93 VanDerWaalsContact C-N 3.28Å; L91-V93 PolarHBondContact O-N 2.81Å; L91-T94 VanDerWaalsContact O-CB 3.29Å; L91-T94 WeakPolarHBondContact O-CB 3.13Å; L91-T94 PolarHBondContact O-N 3.33Å; L91-T94 VanDerWaalsContact O-N 3.09Å; L91-T94 PolarHBondContact O-OG1 3.3Å
92C89.4Confident90.6Very high5 Ų537.3 Ų37.33%0.03420%0.197CC..Hα-helixtrans-56.1-40.1-179.8-58.70000113L81 K88 L89 P95L81-C92 HydrophobicContact CB-CB 4.35Å; K88-C92 PolarHBondContact O-N 3.13Å; K88-C92 PolarHBondContact O-SG 2.79Å; L89-C92 WeakPolarHBondContact O-CB 3.31Å; L89-C92 PolarHBondContact O-N 3.15Å; C92-P95 VanDerWaalsContact O-CD 3.24Å; C92-P95 WeakPolarHBondContact O-CD 3.3Å
93V91.9Very high91Very high1 Ų133.8 Ų33.81%0.00619%0.194CC..THydrogen-bonded Turntrans-88.71.8-179.3-590000115L89 L91 P95 I96 I97 I142 H214 T218L89-V93 WeakPolarHBondContact O-CG2 3.4Å; L89-V93 PolarHBondContact O-N 2.88Å; L91-V93 VanDerWaalsContact C-N 3.28Å; L91-V93 PolarHBondContact O-N 2.81Å; V93-P95 VanDerWaalsContact C-CD 3.41Å; V93-P95 VanDerWaalsContact C-N 3.31Å; V93-I96 WeakPolarHBondContact O-CB 3.32Å; V93-I96 PolarHBondContact O-N 2.77Å; V93-I96 VanDerWaalsContact O-N 3.1Å; V93-I97 HydrophobicContact CG2-CD1 4.24Å; V93-I97 PolarHBondContact O-N 2.86Å; V93-I142 HydrophobicContact CB-CD1 4.1Å; V93-I142 HydrophobicContact CG1-CD1 3.42Å; V93-I142 VanDerWaalsContact CG1-CD1 3.42Å; V93-I142 HydrophobicContact CG1-CG1 4.35Å; V93-I142 HydrophobicContact CG2-CD1 3.77Å; V93-I142 HydrophobicContact CG2-CG1 4.38Å; V93-H214 HydrophobicContact CG1-CB 4.09Å; V93-T218 HydrophobicContact CB-CG2 4.01Å; V93-T218 WeakPolarHBondContact CG1-OG1 3.29Å; V93-T218 HydrophobicContact CG2-CG2 4.11Å
94T92.5Very high91.6Very high0 Ų032.9 Ų32.90%019%0.187CC..Hα-helixtrans-55.6-40.9178-66.30000112.8M1 I6 P53 S90 L91 I96 I97 I98M1-T94 HydrophobicContact CE-CG2 3.64Å; M1-T94 HydrophobicContact SD-CG2 3.59Å; M1-T94 VanDerWaalsContact SD-CG2 3.59Å; I6-T94 HydrophobicContact CG1-CG2 4.35Å; P53-T94 HydrophobicContact CG-CG2 4.21Å; S90-T94 PolarHBondContact O-OG1 3.07Å; L91-T94 VanDerWaalsContact O-CB 3.29Å; L91-T94 WeakPolarHBondContact O-CB 3.13Å; L91-T94 PolarHBondContact O-N 3.33Å; L91-T94 VanDerWaalsContact O-N 3.09Å; L91-T94 PolarHBondContact O-OG1 3.3Å; T94-I96 VanDerWaalsContact C-N 3.27Å; T94-I96 PolarHBondContact O-N 2.79Å; T94-I97 PolarHBondContact O-N 3.3Å; T94-I97 VanDerWaalsContact O-N 3.09Å; T94-I98 HydrophobicContact CG2-CD1 3.72Å; T94-I98 HydrophobicContact CG2-CG1 4.15Å; T94-I98 WeakPolarHBondContact O-CG1 3.4Å; T94-I98 PolarHBondContact O-N 3.2Å
95P94.1Very high92.1Very high10 Ų1038.8 Ų38.87%0.06521%0.208CC..Hα-helixtrans-56.1-39.5175.5-26.436.7000113.4F52 P53 I77 C92 V93 I97 I98 M99F52-P95 HydrophobicContact CE1-CG 4.31Å; F52-P95 HydrophobicContact CZ-CB 4.01Å; F52-P95 HydrophobicContact CZ-CG 3.79Å; P53-P95 HydrophobicContact CG-CG 4.37Å; I77-P95 HydrophobicContact CD1-CB 3.92Å; I77-P95 HydrophobicContact CG1-CB 3.95Å; C92-P95 VanDerWaalsContact O-CD 3.24Å; C92-P95 WeakPolarHBondContact O-CD 3.3Å; V93-P95 VanDerWaalsContact C-CD 3.41Å; V93-P95 VanDerWaalsContact C-N 3.31Å; P95-I97 PolarHBondContact O-N 2.96Å; P95-I98 PolarHBondContact O-N 2.88Å; P95-M99 WeakPolarHBondContact O-CB 3.47Å; P95-M99 VanDerWaalsContact O-CG 3.28Å; P95-M99 WeakPolarHBondContact O-CG 3.29Å; P95-M99 PolarHBondContact O-N 2.79Å
96I94.8Very high92.7Very high1 Ų136.1 Ų36.11%0.00520%0.195CC..Hα-helixtrans-63.1-42.2176-58.3-60.8000111.3V26 V93 T94 M99 Q100 V107 L109 D215 T218 A219 M224V26-I96 HydrophobicContact CG2-CD1 3.85Å; V93-I96 WeakPolarHBondContact O-CB 3.32Å; V93-I96 PolarHBondContact O-N 2.77Å; V93-I96 VanDerWaalsContact O-N 3.1Å; T94-I96 VanDerWaalsContact C-N 3.27Å; T94-I96 PolarHBondContact O-N 2.79Å; I96-M99 HydrophobicContact CD1-SD 4.41Å; I96-M99 WeakPolarHBondContact O-CB 3.42Å; I96-M99 PolarHBondContact O-N 2.71Å; I96-Q100 PolarHBondContact O-N 2.84Å; I96-V107 HydrophobicContact CD1-CG1 4.12Å; I96-L109 HydrophobicContact CD1-CD2 4.36Å; I96-D215 HydrophobicContact CD1-CB 4.02Å; I96-D215 HydrophobicContact CG1-CB 3.95Å; I96-T218 HydrophobicContact CB-CG2 4.21Å; I96-T218 HydrophobicContact CG2-CG2 3.83Å; I96-A219 HydrophobicContact CG2-CB 3.8Å; I96-M224 HydrophobicContact CG2-CE 3.5Å
97I94.1Very high93.3Very high11 Ų1132.8 Ų32.86%0.05616%0.16CC..Hα-helixtrans-67.1-39.4178-59.6166.7000110.8I6 V93 T94 P95 Q100 K101 M144 T218I6-I97 HydrophobicContact CD1-CG2 4.11Å; I6-I97 HydrophobicContact CG2-CG2 4.29Å; V93-I97 HydrophobicContact CG2-CD1 4.24Å; V93-I97 PolarHBondContact O-N 2.86Å; T94-I97 PolarHBondContact O-N 3.3Å; T94-I97 VanDerWaalsContact O-N 3.09Å; P95-I97 PolarHBondContact O-N 2.96Å; I97-Q100 PolarHBondContact O-N 3.32Å; I97-K101 HydrophobicContact CG2-CD 4.45Å; I97-K101 WeakPolarHBondContact O-CG 3.46Å; I97-K101 PolarHBondContact O-N 2.84Å; I97-K101 VanDerWaalsContact O-N 3.1Å; I97-M144 HydrophobicContact CD1-CE 4.06Å; I97-M144 HydrophobicContact CG1-CE 4.47Å; I97-T218 HydrophobicContact CG1-CG2 4Å
98I95.4Very high93.8Very high1 Ų131.2 Ų31.21%0.00515%0.154CC..Hα-helixtrans-62.7-48.1175.1-70.2171.4000109.6I6 A9 V10 L13 F52 T94 P95 Q100 K101 L102I6-I98 HydrophobicContact CG2-CG1 4.17Å; A9-I98 HydrophobicContact CB-CD1 3.77Å; A9-I98 HydrophobicContact CB-CG1 4.45Å; V10-I98 HydrophobicContact CG2-CB 4.48Å; V10-I98 HydrophobicContact CG2-CG1 4.42Å; V10-I98 HydrophobicContact CG2-CG2 4.1Å; L13-I98 HydrophobicContact CD1-CG2 3.74Å; F52-I98 HydrophobicContact CD2-CD1 3.48Å; F52-I98 VanDerWaalsContact CD2-CD1 3.48Å; F52-I98 HydrophobicContact CE2-CD1 3.66Å; T94-I98 HydrophobicContact CG2-CD1 3.72Å; T94-I98 HydrophobicContact CG2-CG1 4.15Å; T94-I98 WeakPolarHBondContact O-CG1 3.4Å; T94-I98 PolarHBondContact O-N 3.2Å; P95-I98 PolarHBondContact O-N 2.88Å; I98-Q100 VanDerWaalsContact C-N 3.32Å; I98-Q100 PolarHBondContact O-N 2.96Å; I98-K101 CarbonylContact O-C 3.56Å; I98-K101 PolarHBondContact O-N 2.9Å; I98-L102 HydrophobicContact CG2-CD1 3.96Å; I98-L102 HydrophobicContact CG2-CG 4.24Å; I98-L102 WeakPolarHBondContact O-CG 3.38Å; I98-L102 PolarHBondContact O-N 2.81Å
99M96.4Very high94.2Very high2 Ų223.4 Ų23.41%0.0112%0.12CC..Hα-helixtrans-52.7-48.3175.6-75.8177.1162.900112V26 V75 I77 P95 I96 K101 L102 G103 I104V26-M99 HydrophobicContact CG2-CE 4.32Å; V26-M99 HydrophobicContact CG2-SD 4.4Å; V75-M99 HydrophobicContact CB-CE 4.32Å; V75-M99 HydrophobicContact CG1-CE 3.86Å; I77-M99 HydrophobicContact CD1-CE 4.17Å; I77-M99 HydrophobicContact CG1-CE 3.53Å; P95-M99 WeakPolarHBondContact O-CB 3.47Å; P95-M99 VanDerWaalsContact O-CG 3.28Å; P95-M99 WeakPolarHBondContact O-CG 3.29Å; P95-M99 PolarHBondContact O-N 2.79Å; I96-M99 HydrophobicContact CD1-SD 4.41Å; I96-M99 WeakPolarHBondContact O-CB 3.42Å; I96-M99 PolarHBondContact O-N 2.71Å; M99-K101 VanDerWaalsContact C-N 3.33Å; M99-K101 PolarHBondContact O-N 3.35Å; M99-L102 WeakPolarHBondContact O-CB 3.46Å; M99-L102 PolarHBondContact O-N 3.5Å; M99-L102 VanDerWaalsContact O-N 3.14Å; M99-G103 PolarHBondContact O-N 2.95Å; M99-I104 HydrophobicContact CB-CB 4.3Å; M99-I104 HydrophobicContact CB-CD1 3.77Å; M99-I104 HydrophobicContact CB-CG1 4.5Å; M99-I104 HydrophobicContact CG-CD1 3.79Å; M99-I104 VanDerWaalsContact O-CB 3.32Å; M99-I104 WeakPolarHBondContact O-CB 3.26Å; M99-I104 PolarHBondContact O-N 2.87Å
100Q95.4Very high94.6Very high58 Ų5822 Ų2227%0.27111%0.113SC..Hα-helixtrans-58.7-43.6176.2-179.8-97.4-7.300112.4I96 I97 I98 L102 G103 C222 M224I96-Q100 PolarHBondContact O-N 2.84Å; I97-Q100 PolarHBondContact O-N 3.32Å; I98-Q100 VanDerWaalsContact C-N 3.32Å; I98-Q100 PolarHBondContact O-N 2.96Å; Q100-L102 VanDerWaalsContact C-N 3.27Å; Q100-L102 PolarHBondContact O-N 3.33Å; Q100-G103 PolarHBondContact O-N 3.3Å; Q100-C222 HydrophobicContact CB-CB 4.16Å; Q100-C222 HydrophobicContact CG-CB 3.96Å; Q100-M224 HydrophobicContact CB-CE 3.92Å; Q100-M224 HydrophobicContact CB-CG 4.47Å; Q100-M224 HydrophobicContact CB-SD 3.79Å; Q100-M224 HydrophobicContact CG-CG 4.49Å; Q100-M224 HydrophobicContact CG-SD 4.41Å
101K95.3Very high94.9Very high60 Ų6020.1 Ų20.126%0.26110%0.1SC..Hα-helixtrans-71.9-20179.3-71.7-179-180-66.20113.9I6 V10 K14 I97 I98 M99I6-K101 HydrophobicContact CG2-CD 3.47Å; I6-K101 VanDerWaalsContact CG2-CD 3.47Å; V10-K101 HydrophobicContact CB-CB 4.49Å; V10-K101 HydrophobicContact CG1-CB 4.1Å; V10-K101 HydrophobicContact CG2-CB 3.56Å; V10-K101 HydrophobicContact CG2-CD 4.08Å; V10-K101 HydrophobicContact CG2-CG 4.49Å; K14-K101 WeakPolarHBondContact CE-O 3.31Å; K14-K101 PolarHBondContact NZ-O 3.35Å; I97-K101 HydrophobicContact CG2-CD 4.45Å; I97-K101 WeakPolarHBondContact O-CG 3.46Å; I97-K101 PolarHBondContact O-N 2.84Å; I97-K101 VanDerWaalsContact O-N 3.1Å; I98-K101 CarbonylContact O-C 3.56Å; I98-K101 PolarHBondContact O-N 2.9Å; M99-K101 VanDerWaalsContact C-N 3.33Å; M99-K101 PolarHBondContact O-N 3.35Å
102L96.8Very high95.2Very high4 Ų419.1 Ų19.12%0.0219%0.094CC..THydrogen-bonded Turntrans-75.4-9.9168.4-66.7174.5000112.5V10 L13 K14 M17 T20 P21 V75 I98 M99 Q100V10-L102 HydrophobicContact CG1-CD2 4.13Å; L13-L102 HydrophobicContact CB-CD1 4.37Å; L13-L102 HydrophobicContact CB-CD2 3.92Å; L13-L102 HydrophobicContact CD1-CD1 4.04Å; K14-L102 HydrophobicContact CG-CD2 3.8Å; M17-L102 HydrophobicContact CE-CB 4.46Å; M17-L102 HydrophobicContact CE-CD1 3.88Å; M17-L102 HydrophobicContact CE-CD2 3.61Å; M17-L102 HydrophobicContact CE-CG 4.17Å; T20-L102 WeakPolarHBondContact CG2-O 3.39Å; P21-L102 HydrophobicContact CG-CB 4.24Å; V75-L102 HydrophobicContact CG2-CD1 4.42Å; I98-L102 HydrophobicContact CG2-CD1 3.96Å; I98-L102 HydrophobicContact CG2-CG 4.24Å; I98-L102 WeakPolarHBondContact O-CG 3.38Å; I98-L102 PolarHBondContact O-N 2.81Å; M99-L102 WeakPolarHBondContact O-CB 3.46Å; M99-L102 PolarHBondContact O-N 3.5Å; M99-L102 VanDerWaalsContact O-N 3.14Å; Q100-L102 VanDerWaalsContact C-N 3.27Å; Q100-L102 PolarHBondContact O-N 3.33Å
103G96.1Very high95.5Very high32 Ų3218.9 Ų18.933%0.339%0.092SC..THydrogen-bonded Turntrans99.54178.100000114.3M99 Q100M99-G103 PolarHBondContact O-N 2.95Å; Q100-G103 PolarHBondContact O-N 3.3Å
104I97.7Very high95.7Very high1 Ų118.9 Ų18.91%0.0059%0.092CC..  trans-63.3135.8177.7-64.4176000109.5P21 G24 V75 M99 T106 V107 M224P21-I104 HydrophobicContact CB-CD1 4.14Å; P21-I104 HydrophobicContact CB-CG1 4.07Å; P21-I104 HydrophobicContact CG-CD1 3.86Å; P21-I104 HydrophobicContact CG-CG1 3.73Å; G24-I104 VanDerWaalsContact N-CG2 3.31Å; V75-I104 HydrophobicContact CB-CD1 3.97Å; V75-I104 HydrophobicContact CG2-CD1 4.12Å; M99-I104 HydrophobicContact CB-CB 4.3Å; M99-I104 HydrophobicContact CB-CD1 3.77Å; M99-I104 HydrophobicContact CB-CG1 4.5Å; M99-I104 HydrophobicContact CG-CD1 3.79Å; M99-I104 VanDerWaalsContact O-CB 3.32Å; M99-I104 WeakPolarHBondContact O-CB 3.26Å; M99-I104 PolarHBondContact O-N 2.87Å; I104-T106 WeakPolarHBondContact CG2-O 3.42Å; I104-V107 HydrophobicContact CG2-CG2 4.37Å; I104-M224 HydrophobicContact CG2-SD 4.34Å; I104-M224 VanDerWaalsContact O-SD 3.37Å
105R95.9Very high95.9Very high166 Ų16620.4 Ų20.463%0.62610%0.099SC*.  trans-112.3-19.4179.7-61.6-60.2-174.3169.61.4113.5M224 D225R105-M224 CarbonylContact O-C 3.46Å; R105-M224 VanDerWaalsContact O-CA 3.28Å; R105-M224 WeakPolarHBondContact O-CA 3.32Å; R105-M224 WeakPolarHBondContact O-CB 2.97Å; R105-D225 PolarHBondContact O-N 2.87Å
106T97.8Very high96.1Very high17 Ų1720.2 Ų20.210%0.10410%0.098CC..EExtended strand (participates in β ladder)trans-127.8134.1179-54.30000109.9V23 G24 I104 D225 L270V23-T106 WeakPolarHBondContact CA-O 3.22Å; G24-T106 PolarHBondContact N-O 3.04Å; I104-T106 WeakPolarHBondContact CG2-O 3.42Å; T106-D225 CarbonylContact C-O 3.48Å; T106-D225 VanDerWaalsContact CA-O 3.31Å; T106-D225 WeakPolarHBondContact CA-O 3.35Å; T106-D225 HydrophobicContact CG2-CB 4.31Å; T106-L270 HydrophobicContact CG2-CD1 4.03Å
107V97.9Very high96.1Very high0 Ų021 Ų210%010%0.103CC..EExtended strand (participates in β ladder)trans-119127.8174.4-176.50000109.9G24 V26 I96 I104 L109 A219 M224 D225 I227G24-V107 CarbonylContact O-C 3.59Å; G24-V107 VanDerWaalsContact O-CA 3.29Å; G24-V107 WeakPolarHBondContact O-CA 3.35Å; V26-V107 HydrophobicContact CG2-CG1 4.28Å; I96-V107 HydrophobicContact CD1-CG1 4.12Å; I104-V107 HydrophobicContact CG2-CG2 4.37Å; V107-L109 HydrophobicContact CG1-CD2 3.53Å; V107-L109 HydrophobicContact CG1-CG 4.15Å; V107-A219 HydrophobicContact CG2-CB 4.39Å; V107-M224 HydrophobicContact CG2-CE 3.77Å; V107-M224 HydrophobicContact CG2-SD 3.75Å; V107-D225 PolarHBondContact N-O 3.1Å; V107-I227 PolarHBondContact O-N 3.5Å
108F97.4Very high96.1Very high2 Ų227.1 Ų27.11%0.00914%0.136CC..EExtended strand (participates in β ladder)trans-101.4113.6171.4178.5-151000110.4G24 I25 V26 T110 F165 I227 A229 L259G24-F108 PolarHBondContact O-N 3.34Å; I25-F108 CarbonylContact C-O 3.52Å; I25-F108 VanDerWaalsContact CA-O 3.32Å; I25-F108 WeakPolarHBondContact CA-O 3.34Å; I25-F108 HydrophobicContact CG2-CD1 4.19Å; V26-F108 PolarHBondContact N-O 3.06Å; F108-T110 HydrophobicContact CD1-CG2 4.27Å; F108-T110 HydrophobicContact CD2-CG2 4.29Å; F108-T110 HydrophobicContact CE1-CG2 3.7Å; F108-T110 HydrophobicContact CE2-CG2 3.76Å; F108-T110 HydrophobicContact CZ-CG2 3.44Å; F108-T110 VanDerWaalsContact CZ-CG2 3.44Å; F108-F165 HydrophobicContact CE1-CE2 4.43Å; F108-F165 AromaticContact CE2-CE2 3.89Å; F108-F165 HydrophobicContact CE2-CE2 3.89Å; F108-F165 AromaticContact CZ-CE2 3.67Å; F108-F165 HydrophobicContact CZ-CE2 3.67Å; F108-F165 HydrophobicContact CZ-CZ 4.19Å; F108-I227 CarbonylContact C-O 3.57Å; F108-I227 WeakPolarHBondContact CA-O 3.38Å; F108-I227 HydrophobicContact CB-CG2 3.84Å; F108-I227 HydrophobicContact CD2-CG2 3.78Å; F108-I227 HydrophobicContact CG-CG2 4.11Å; F108-A229 HydrophobicContact CE2-CB 3.95Å; F108-A229 HydrophobicContact CZ-CB 4.4Å; F108-L259 HydrophobicContact CZ-CD1 4Å; F108-L259 HydrophobicContact CZ-CG 4.4Å
109L96.9Very high96.1Very high0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-100.2123.1179-53.7176.1000109.8V26 I96 V107 I212 D215 A216 V226 I227 A228 A229V26-L109 HydrophobicContact CB-CD2 3.69Å; V26-L109 HydrophobicContact CG2-CD2 3.75Å; I96-L109 HydrophobicContact CD1-CD2 4.36Å; V107-L109 HydrophobicContact CG1-CD2 3.53Å; V107-L109 HydrophobicContact CG1-CG 4.15Å; L109-I212 HydrophobicContact CB-CB 4.43Å; L109-I212 HydrophobicContact CB-CG2 4.17Å; L109-I212 HydrophobicContact CD1-CB 4.2Å; L109-D215 HydrophobicContact CD1-CB 3.99Å; L109-D215 HydrophobicContact CD2-CB 3.99Å; L109-A216 HydrophobicContact CD1-CB 3.83Å; L109-V226 HydrophobicContact CD1-CG1 3.99Å; L109-V226 HydrophobicContact CG-CG1 4.49Å; L109-I227 PolarHBondContact N-O 3.32Å; L109-A228 HydrophobicContact CB-CB 3.91Å; L109-A228 CarbonylContact O-C 3.58Å; L109-A228 WeakPolarHBondContact O-CA 3.46Å; L109-A229 PolarHBondContact O-N 2.76Å
110T95.3Very high96.1Very high0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-109.6150.7171.870.10000110.6V26 C27 G28 R80 F108 A229 L259V26-T110 PolarHBondContact O-N 3.47Å; V26-T110 PolarHBondContact O-OG1 2.72Å; C27-T110 WeakPolarHBondContact CA-OG1 2.85Å; G28-T110 VanDerWaalsContact CA-O 3.29Å; G28-T110 WeakPolarHBondContact CA-O 3.37Å; G28-T110 PolarHBondContact N-O 3.01Å; G28-T110 VanDerWaalsContact N-O 3.08Å; G28-T110 PolarHBondContact N-OG1 3.03Å; R80-T110 PolarHBondContact NH2-O 3.26Å; F108-T110 HydrophobicContact CD1-CG2 4.27Å; F108-T110 HydrophobicContact CD2-CG2 4.29Å; F108-T110 HydrophobicContact CE1-CG2 3.7Å; F108-T110 HydrophobicContact CE2-CG2 3.76Å; F108-T110 HydrophobicContact CZ-CG2 3.44Å; F108-T110 VanDerWaalsContact CZ-CG2 3.44Å; T110-A229 CarbonylContact C-O 3.56Å; T110-A229 VanDerWaalsContact CA-O 3.31Å; T110-A229 WeakPolarHBondContact CA-O 3.4Å; T110-L259 HydrophobicContact CG2-CD2 3.94Å; T110-L259 HydrophobicContact CG2-CG 4.31Å
111T94.3Very high96.1Very high10 Ų1037.8 Ų37.86%0.06119%0.185CC..EExtended strand (participates in β ladder)trans-154.7161.8175.8-168.10000111.7T29 Y183 I212 A229 A230 V231T29-T111 WeakPolarHBondContact CG2-O 3.35Å; T111-Y183 HydrophobicContact CG2-CE2 4.13Å; T111-I212 HydrophobicContact CG2-CD1 4.15Å; T111-I212 HydrophobicContact CG2-CG2 4.16Å; T111-A229 PolarHBondContact N-O 2.88Å; T111-A230 HydrophobicContact CG2-CB 3.71Å; T111-A230 CarbonylContact O-C 3.52Å; T111-A230 WeakPolarHBondContact O-CA 3.3Å; T111-V231 PolarHBondContact O-N 2.95Å
112M93.7Very high96.1Very high20 Ų2036.9 Ų36.910%0.09918%0.182CC..EExtended strand (participates in β ladder)trans-84.2150.6153.3-59.8-54.8-67.600109.7G28 T29 V231 Y239 L252G28-M112 PolarHBondContact O-N 2.95Å; T29-M112 HydrophobicContact CG2-CG 4.47Å; T29-M112 HydrophobicContact CG2-SD 3.78Å; M112-V231 WeakPolarHBondContact CA-O 3.34Å; M112-V231 HydrophobicContact CE-CB 3.93Å; M112-V231 HydrophobicContact CE-CG1 3.68Å; M112-V231 HydrophobicContact SD-CB 3.68Å; M112-V231 HydrophobicContact SD-CG1 4Å; M112-Y239 HydrophobicContact CB-CD2 3.99Å; M112-Y239 HydrophobicContact CB-CE2 3.32Å; M112-Y239 HydrophobicContact CE-CD2 4.29Å; M112-Y239 HydrophobicContact CG-CD2 4.18Å; M112-Y239 HydrophobicContact CG-CE2 4Å; M112-L252 HydrophobicContact CE-CB 4.19Å; M112-L252 HydrophobicContact CE-CD1 4.1Å; M112-L252 HydrophobicContact CE-CD2 3.86Å; M112-L252 HydrophobicContact CE-CG 4.27Å
113A95.6Very high96Very high0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-145.6154.1171.600000110.2Y183 A207 V208 A230 V231 L232 G233 Y239A113-Y183 HydrophobicContact CB-CD2 4.18Å; A113-Y183 HydrophobicContact CB-CE2 3.81Å; A113-A207 HydrophobicContact CB-CB 3.98Å; A113-V208 CarbonylContact C-O 3.59Å; A113-V208 VanDerWaalsContact CA-O 3.3Å; A113-V208 WeakPolarHBondContact CA-O 3.27Å; A113-V208 WeakPolarHBondContact CB-O 3.18Å; A113-A230 HydrophobicContact CB-CB 3.82Å; A113-V231 PolarHBondContact N-O 3.14Å; A113-L232 HydrophobicContact CB-CD2 4.18Å; A113-L232 CarbonylContact O-C 3.46Å; A113-L232 WeakPolarHBondContact O-CA 3.3Å; A113-G233 PolarHBondContact O-N 3.04Å; A113-Y239 WeakPolarHBondContact CA-OH 3.36Å
114G96.4Very high96.1Very high1 Ų135.9 Ų35.91%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-79.9134.5167.300000110.5A207 V208 D234 Y239G114-A207 CarbonylContact O-C 3.53Å; G114-A207 VanDerWaalsContact O-CA 3.26Å; G114-A207 WeakPolarHBondContact O-CA 3.47Å; G114-V208 PolarHBondContact N-O 2.88Å; G114-V208 PolarHBondContact O-N 3.41Å; G114-D234 VanDerWaalsContact CA-O 3.3Å; G114-D234 WeakPolarHBondContact CA-O 3.48Å; G114-Y239 PolarHBondContact N-OH 2.82Å
115K97.2Very high96Very high33 Ų3335.8 Ų35.814%0.14317%0.17CC..EExtended strand (participates in β ladder)trans-68.4132.7176.376.3-167.4-162.981.40110.5Y120 I122 L232 G233 E235K115-Y120 WeakPolarHBondContact CD-O 3.48Å; K115-Y120 PolarHBondContact NZ-O 2.85Å; K115-I122 HydrophobicContact CD-CG1 3.99Å; K115-L232 HydrophobicContact CB-CB 4.22Å; K115-L232 HydrophobicContact CB-CD1 4.22Å; K115-G233 PolarHBondContact N-O 2.85Å; K115-E235 VanDerWaalsContact O-CB 3.29Å; K115-E235 WeakPolarHBondContact O-CB 3.31Å
116L97.8Very high96.1Very high6 Ų627.9 Ų27.93%0.03114%0.14CC..  trans-109.7-28.3173.6-66.6-179.7000112.9L197 L200 R201 A205 D206 V208 E235L116-L197 HydrophobicContact CD2-CB 4.34Å; L116-L197 HydrophobicContact CD2-CD2 3.61Å; L116-L200 HydrophobicContact CD1-CB 3.72Å; L116-L200 HydrophobicContact CD1-CD1 4.37Å; L116-R201 HydrophobicContact CB-CG 4.15Å; L116-R201 PolarHBondContact O-NE 2.91Å; L116-A205 WeakPolarHBondContact CB-O 3.33Å; L116-A205 HydrophobicContact CD1-CB 3.75Å; L116-D206 PolarHBondContact N-O 3.49Å; L116-V208 HydrophobicContact CD1-CB 4.06Å; L116-V208 HydrophobicContact CD1-CG1 4.42Å; L116-V208 HydrophobicContact CD2-CB 4.44Å; L116-V208 HydrophobicContact CD2-CG1 3.92Å; L116-V208 HydrophobicContact CG-CB 4.28Å; L116-V208 HydrophobicContact CG-CG1 4.13Å; L116-E235 HydrophobicContact CD2-CB 4.45Å
117S95.5Very high96.2Very high17 Ų1727.1 Ų27.112%0.11914%0.135CC..SBendtrans-77.9134176.9-177.70000111.3H119 Y120 D206S117-H119 PolarHBondContact O-N 2.93Å; S117-H119 PolarHBondContact OG-N 3.2Å; S117-Y120 PolarHBondContact O-N 3.48Å; S117-D206 PolarHBondContact N-O 3.36Å
118D93.1Very high96.2Very high140 Ų14027.1 Ų27.175%0.74914%0.135SC*.THydrogen-bonded Turntrans-69.7-13.3175-63-34.6000112.7Y120D118-Y120 VanDerWaalsContact C-N 3.25Å
119H94.8Very high96.2Very high161 Ų16130.9 Ų30.975%0.74515%0.152SC*.THydrogen-bonded Turntrans-80.7-7175.1-59.2-55.3000113.4S117S117-H119 PolarHBondContact O-N 2.93Å; S117-H119 PolarHBondContact OG-N 3.2Å
120Y96.7Very high96.2Very high14 Ų1435 Ų356%0.05517%0.174CC..  trans-108.1143.8-176.4-59.5-12.9000110.9K115 S117 D118 M126 H179 E180 D206 L232K115-Y120 WeakPolarHBondContact CD-O 3.48Å; K115-Y120 PolarHBondContact NZ-O 2.85Å; S117-Y120 PolarHBondContact O-N 3.48Å; D118-Y120 VanDerWaalsContact C-N 3.25Å; Y120-M126 HydrophobicContact CE2-CG 4.1Å; Y120-M126 HydrophobicContact CE2-SD 3.77Å; Y120-H179 HydrophobicContact CD1-CB 4.06Å; Y120-H179 AromaticContact CD1-CD2 3.46Å; Y120-H179 VanDerWaalsContact CD1-CD2 3.46Å; Y120-H179 WeakPolarHBondContact CD1-CD2 3.47Å; Y120-H179 AromaticContact CD1-CE1 3.91Å; Y120-H179 AromaticContact CD1-CG 3.54Å; Y120-H179 AromaticContact CD1-ND1 3.85Å; Y120-H179 AromaticContact CD1-NE2 3.7Å; Y120-H179 HydrophobicContact CE1-CB 3.4Å; Y120-H179 AromaticContact CE1-CD2 3.76Å; Y120-H179 AromaticContact CE1-CG 3.33Å; Y120-H179 AromaticContact CE1-ND1 3.68Å; Y120-H179 HydrophobicContact CE2-CB 4.42Å; Y120-E180 PolarHBondContact OH-O 3.47Å; Y120-D206 HydrophobicContact CE2-CB 3.61Å; Y120-L232 HydrophobicContact CD2-CD1 3.32Å; Y120-L232 HydrophobicContact CE2-CD1 4.12Å; Y120-L232 HydrophobicContact CG-CD1 3.75Å
121E96.9Very high96.3Very high110 Ų11036.5 Ų36.551%0.51418%0.18SC..  trans-104.8157174.5-67.4-59.6154.600111.9G123 D124E121-G123 PolarHBondContact O-N 2.92Å; E121-D124 PolarHBondContact N-OD2 3.24Å; E121-D124 WeakPolarHBondContact O-CB 3.48Å; E121-D124 PolarHBondContact O-N 3.29Å; E121-D124 VanDerWaalsContact O-N 3.1Å
122I95.5Very high96.3Very high40 Ų4037.5 Ų37.521%0.20519%0.185CC..THydrogen-bonded Turntrans-61.3129.3170.1-65.2179.7000108.2K115 L232 D234 T248 K251 L252K115-I122 HydrophobicContact CD-CG1 3.99Å; I122-L232 CarbonylContact C-O 3.55Å; I122-L232 WeakPolarHBondContact CA-O 3.16Å; I122-D234 HydrophobicContact CD1-CB 4.1Å; I122-T248 HydrophobicContact CG2-CG2 3.83Å; I122-K251 VanDerWaalsContact O-CD 3.29Å; I122-K251 WeakPolarHBondContact O-CD 3.41Å; I122-K251 WeakPolarHBondContact O-CE 3.35Å; I122-K251 PolarHBondContact O-NZ 3.44Å; I122-L252 HydrophobicContact CG2-CD2 3.82Å; I122-L252 HydrophobicContact CG2-CG 4.3Å
123G94.4Very high96.4Very high3 Ų337.6 Ų37.63%0.03118%0.184CC..THydrogen-bonded Turntrans94.7-9.3-175.100000114.3E121 L232 S255E121-G123 PolarHBondContact O-N 2.92Å; G123-L232 PolarHBondContact N-O 3.16Å; G123-S255 WeakPolarHBondContact CA-OG 3.33Å; G123-S255 WeakPolarHBondContact O-CB 3.26Å; G123-S255 PolarHBondContact O-OG 2.92Å
124D97.1Very high96.3Very high12 Ų1239 Ų396%0.06419%0.192CC..  trans-66.2153173.6-71.6-1.4000110.8E121 P177 H179 L232E121-D124 PolarHBondContact N-OD2 3.24Å; E121-D124 WeakPolarHBondContact O-CB 3.48Å; E121-D124 PolarHBondContact O-N 3.29Å; E121-D124 VanDerWaalsContact O-N 3.1Å; D124-P177 HydrophobicContact CB-CB 4.49Å; D124-P177 WeakPolarHBondContact OD1-CB 3.24Å; D124-H179 IonicContact OD2-CD2 2.87Å; D124-H179 IonicContact OD2-CE1 3.98Å; D124-H179 IonicContact OD2-NE2 2.58Å; D124-H179 PolarHBondContact OD2-NE2 3.18Å; D124-L232 HydrophobicContact CB-CD1 4.16Å; D124-L232 WeakPolarHBondContact O-CB 3.26Å; D124-L232 WeakPolarHBondContact O-CG 3.49Å; D124-L232 PolarHBondContact O-N 3.4Å
125I96.9Very high96Very high0 Ų039.4 Ų39.40%019%0.194CC..EExtended strand (participates in β ladder)trans-100.3129.5172.8-64.5170.9000108.1P176 P177 I178 H179 A229 A230 V231 D258 L259 I262I125-P176 HydrophobicContact CD1-CB 4.06Å; I125-P176 HydrophobicContact CD1-CG 4Å; I125-P177 PolarHBondContact N-O 2.88Å; I125-I178 HydrophobicContact CB-CG1 4.22Å; I125-I178 HydrophobicContact CG2-CG1 4.44Å; I125-I178 CarbonylContact O-C 3.59Å; I125-I178 VanDerWaalsContact O-CA 3.26Å; I125-I178 WeakPolarHBondContact O-CA 3.44Å; I125-H179 PolarHBondContact O-N 3Å; I125-A229 HydrophobicContact CG2-CB 4.43Å; I125-A230 CarbonylContact C-O 3.49Å; I125-A230 WeakPolarHBondContact CA-O 3.38Å; I125-V231 HydrophobicContact CG1-CG2 4.45Å; I125-D258 HydrophobicContact CD1-CB 4.46Å; I125-L259 HydrophobicContact CD1-CB 3.95Å; I125-L259 HydrophobicContact CD1-CD1 4.41Å; I125-L259 HydrophobicContact CG2-CD1 3.96Å; I125-I262 HydrophobicContact CD1-CD1 3.9Å
126M98Very high95.6Very high0 Ų038.9 Ų38.90%020%0.198CC..EExtended strand (participates in β ladder)trans-113.4118.3174.2-172.1-166.57600110.1Y120 V128 H179 Y183 D206 A207 A229 A230 L232Y120-M126 HydrophobicContact CE2-CG 4.1Å; Y120-M126 HydrophobicContact CE2-SD 3.77Å; M126-V128 HydrophobicContact CE-CG2 4.29Å; M126-H179 CarbonylContact C-O 3.55Å; M126-H179 WeakPolarHBondContact CA-O 2.98Å; M126-Y183 HydrophobicContact CE-CD2 4.43Å; M126-D206 HydrophobicContact SD-CB 3.95Å; M126-A207 HydrophobicContact CE-CB 3.6Å; M126-A207 HydrophobicContact SD-CB 3.73Å; M126-A229 CarbonylContact O-C 3.57Å; M126-A229 VanDerWaalsContact O-CA 3.32Å; M126-A229 WeakPolarHBondContact O-CA 3.3Å; M126-A230 PolarHBondContact N-O 3.14Å; M126-A230 PolarHBondContact O-N 3.28Å; M126-L232 HydrophobicContact CB-CD1 4.07Å; M126-L232 HydrophobicContact CB-CD2 4Å; M126-L232 HydrophobicContact CB-CG 4.12Å
127L98.2Very high95.2Very high0 Ų044.3 Ų44.30%023%0.226CC..EExtended strand (participates in β ladder)trans-78.2131.1167.7-168.765.9000109.9K129 R162 F165 H179 E180 G181 I227 A228 A229L127-K129 PolarHBondContact O-N 2.72Å; L127-R162 HydrophobicContact CD2-CB 3.44Å; L127-R162 VanDerWaalsContact CD2-CB 3.44Å; L127-R162 HydrophobicContact CD2-CG 3.53Å; L127-R162 HydrophobicContact CG-CB 4.47Å; L127-R162 HydrophobicContact CG-CG 4.04Å; L127-F165 HydrophobicContact CD1-CB 4.48Å; L127-F165 HydrophobicContact CD1-CD1 3.91Å; L127-F165 HydrophobicContact CD1-CD2 4.45Å; L127-F165 HydrophobicContact CD1-CE1 4.24Å; L127-F165 HydrophobicContact CD1-CG 4.02Å; L127-F165 HydrophobicContact CD2-CB 4.23Å; L127-F165 HydrophobicContact CD2-CD1 4.15Å; L127-F165 HydrophobicContact CD2-CG 4.42Å; L127-H179 PolarHBondContact N-O 3.26Å; L127-E180 HydrophobicContact CB-CG 4.38Å; L127-E180 HydrophobicContact CD2-CG 4.49Å; L127-E180 WeakPolarHBondContact O-CA 3.32Å; L127-G181 PolarHBondContact O-N 3.33Å; L127-I227 HydrophobicContact CD1-CD1 3.51Å; L127-I227 HydrophobicContact CD1-CG1 3.95Å; L127-I227 HydrophobicContact CD2-CD1 4.35Å; L127-I227 HydrophobicContact CG-CD1 4.22Å; L127-A228 WeakPolarHBondContact CD1-O 3.42Å; L127-A229 HydrophobicContact CD1-CB 4.29Å
128V98.2Very high94.9Very high0 Ų051 Ų510%025%0.254CS..EExtended strand (participates in β ladder)trans-79.1112-176.1-175.20000109M126 D130 Y157 I212 A228M126-V128 HydrophobicContact CE-CG2 4.29Å; V128-D130 WeakPolarHBondContact CG1-O 3.37Å; V128-Y157 HydrophobicContact CB-CD1 4.41Å; V128-Y157 HydrophobicContact CB-CE1 4.17Å; V128-Y157 HydrophobicContact CG1-CD1 4.36Å; V128-Y157 HydrophobicContact CG1-CD2 4.12Å; V128-Y157 HydrophobicContact CG1-CE1 3.93Å; V128-Y157 HydrophobicContact CG1-CE2 3.66Å; V128-Y157 HydrophobicContact CG1-CG 4.43Å; V128-Y157 WeakPolarHBondContact O-CB 3.28Å; V128-I212 HydrophobicContact CG2-CD1 4.19Å; V128-A228 HydrophobicContact CB-CB 3.98Å; V128-A228 HydrophobicContact CG2-CB 3.81Å; V128-A228 PolarHBondContact N-O 2.79Å
129K97.2Very high94.2Very high82 Ų8247.6 Ų47.636%0.35725%0.251SS..EExtended strand (participates in β ladder)trans-87.9-29.9174.177.2-166.7170.3-153.70112.3L127 E180 G181 I182 D206L127-K129 PolarHBondContact O-N 2.72Å; K129-E180 HydrophobicContact CB-CB 4.36Å; K129-E180 HydrophobicContact CD-CB 4.18Å; K129-E180 PolarHBondContact NZ-O 3.19Å; K129-G181 PolarHBondContact N-O 3.36Å; K129-I182 HydrophobicContact CG-CG1 4.48Å; K129-D206 IonicContact NZ-OD2 3.32Å
130D96.8Very high93.2Very high86 Ų8646.3 Ų46.346%0.4624%0.243SC..EExtended strand (participates in β ladder)trans-157.8171172.7-151.8-8.5000110.7V128 I182 Y183V128-D130 WeakPolarHBondContact CG1-O 3.37Å; D130-I182 HydrophobicContact CB-CG1 4.43Å; D130-I182 WeakPolarHBondContact O-CA 3.44Å; D130-Y183 PolarHBondContact O-N 3.2Å
131H97.2Very high91.9Very high31 Ų3147 Ų4714%0.14426%0.255CS..EExtended strand (participates in β ladder)trans-133.9158.9175.167.1-139.9000114.5Y157 Y183H131-Y157 HydrophobicContact CB-CE2 4.17Å; H131-Y157 AromaticContact CG-CE2 3.96Å; H131-Y157 AromaticContact ND1-CE2 3.42Å; H131-Y157 WeakPolarHBondContact ND1-CE2 3.37Å; H131-Y157 AromaticContact ND1-CZ 3.52Å; H131-Y157 PolarHBondContact ND1-OH 3.4Å; H131-Y183 CarbonylContact C-O 3.52Å; H131-Y183 WeakPolarHBondContact CA-O 3.44Å; H131-Y183 HydrophobicContact CB-CD1 4.48Å; H131-Y183 VanDerWaalsContact CB-O 3.24Å; H131-Y183 WeakPolarHBondContact CB-O 3.29Å
132I96.1Very high90.5Very high31 Ų3143 Ų4316%0.15924%0.237CC..EExtended strand (participates in β ladder)trans-114106.1165.3-52.3175.9000107.4I134 I137 I182 Y183 A184 M185 L203 A205I132-I134 HydrophobicContact CG2-CD1 3.49Å; I132-I134 VanDerWaalsContact CG2-CD1 3.49Å; I132-I134 HydrophobicContact CG2-CG1 4.07Å; I132-I134 PolarHBondContact O-N 3.23Å; I132-I137 HydrophobicContact CG2-CD1 4.1Å; I132-I182 HydrophobicContact CD1-CG2 4.12Å; I132-I182 HydrophobicContact CG1-CG2 3.83Å; I132-Y183 PolarHBondContact N-O 3.26Å; I132-A184 HydrophobicContact CB-CB 4.39Å; I132-A184 WeakPolarHBondContact O-CA 3.46Å; I132-M185 PolarHBondContact O-N 3.32Å; I132-L203 HydrophobicContact CD1-CB 3.75Å; I132-L203 HydrophobicContact CD1-CD1 4.35Å; I132-A205 HydrophobicContact CD1-CB 4.31Å
133Y94.2Very high88.8Confident22 Ų2244.8 Ų44.89%0.08626%0.264CS..EExtended strand (participates in β ladder)trans-91.480.2179.8-174.3-158.3000110.9P135 G136 I137 M185 C213 H214Y133-P135 HydrophobicContact CD2-CB 4.38Å; Y133-P135 HydrophobicContact CD2-CG 4.32Å; Y133-P135 HydrophobicContact CE2-CB 3.76Å; Y133-P135 HydrophobicContact CE2-CG 3.92Å; Y133-G136 WeakPolarHBondContact O-CA 3.31Å; Y133-G136 PolarHBondContact O-N 2.67Å; Y133-I137 PolarHBondContact O-N 2.96Å; Y133-M185 HydrophobicContact CD2-CB 4.19Å; Y133-M185 HydrophobicContact CD2-CG 4.28Å; Y133-M185 HydrophobicContact CD2-SD 3.71Å; Y133-M185 HydrophobicContact CE2-CE 3.98Å; Y133-M185 HydrophobicContact CE2-CG 4.45Å; Y133-M185 HydrophobicContact CE2-SD 3.5Å; Y133-M185 WeakPolarHBondContact CE2-SD 3.32Å; Y133-C213 HydrophobicContact CD1-CB 4.1Å; Y133-C213 HydrophobicContact CD2-CB 3.59Å; Y133-C213 HydrophobicContact CE2-CB 4.24Å; Y133-C213 HydrophobicContact CG-CB 3.54Å; Y133-H214 HydrophobicContact CE1-CB 4.42Å
134I94.5Very high86.8Confident30 Ų3045.6 Ų45.615%0.15427%0.268CS..Hα-helixtrans-55-50-173-59-69.4000112.5I132 G136 I137 F138 M185 L200 L203I132-I134 HydrophobicContact CG2-CD1 3.49Å; I132-I134 VanDerWaalsContact CG2-CD1 3.49Å; I132-I134 HydrophobicContact CG2-CG1 4.07Å; I132-I134 PolarHBondContact O-N 3.23Å; I134-G136 PolarHBondContact O-N 3.37Å; I134-I137 PolarHBondContact O-N 3.32Å; I134-F138 HydrophobicContact CG2-CD2 4.01Å; I134-F138 HydrophobicContact CG2-CE2 3.85Å; I134-F138 VanDerWaalsContact O-CD2 3.27Å; I134-F138 WeakPolarHBondContact O-CD2 3.28Å; I134-F138 PolarHBondContact O-N 2.93Å; I134-M185 WeakPolarHBondContact CB-O 3.2Å; I134-M185 PolarHBondContact N-O 2.85Å; I134-L200 HydrophobicContact CD1-CD2 4.38Å; I134-L200 HydrophobicContact CG1-CD2 4.31Å; I134-L203 HydrophobicContact CD1-CD1 4.37Å
135P90.6Very high84.6Confident9 Ų953.3 Ų53.36%0.05830%0.304CS..Hα-helixtrans-57.4-36.1174.1-2532.8000113.6Y133 F138 K140 M185 N187Y133-P135 HydrophobicContact CD2-CB 4.38Å; Y133-P135 HydrophobicContact CD2-CG 4.32Å; Y133-P135 HydrophobicContact CE2-CB 3.76Å; Y133-P135 HydrophobicContact CE2-CG 3.92Å; P135-F138 PolarHBondContact O-N 2.68Å; P135-K140 HydrophobicContact CB-CB 4.16Å; P135-K140 CarbonylContact O-C 3.54Å; P135-K140 WeakPolarHBondContact O-CA 3.12Å; P135-K140 VanDerWaalsContact O-CB 3.3Å; P135-K140 WeakPolarHBondContact O-CB 3.32Å; P135-K140 PolarHBondContact O-N 3.27Å; P135-M185 WeakPolarHBondContact CD-O 3.45Å; P135-N187 HydrophobicContact CG-CB 4.05Å
136G89Confident82.3Confident23 Ų2362.1 Ų62.124%0.23735%0.345CS..Iπ-helixtrans-63.5-43.9177.800000112.9Y133 I134 F138 G139Y133-G136 WeakPolarHBondContact O-CA 3.31Å; Y133-G136 PolarHBondContact O-N 2.67Å; I134-G136 PolarHBondContact O-N 3.37Å; G136-F138 PolarHBondContact O-N 3.33Å; G136-G139 PolarHBondContact O-N 3.41Å; G136-G139 VanDerWaalsContact O-N 3.09Å
137I89Confident79.9Confident120 Ų12072 Ų7262%0.61539%0.388SS*.Iπ-helixtrans-58.7-37.7177.6-66.4169.3000111.2I132 Y133 I134 G139I132-I137 HydrophobicContact CG2-CD1 4.1Å; Y133-I137 PolarHBondContact O-N 2.96Å; I134-I137 PolarHBondContact O-N 3.32Å; I137-G139 VanDerWaalsContact C-N 3.26Å; I137-G139 PolarHBondContact O-N 2.64Å
138F87.6Confident77.8Confident158 Ų15875.4 Ų75.469%0.69340%0.401SS*.Iπ-helixtrans-88.725178.6-65-69.2000113.9I134 P135 G136 K140I134-F138 HydrophobicContact CG2-CD2 4.01Å; I134-F138 HydrophobicContact CG2-CE2 3.85Å; I134-F138 VanDerWaalsContact O-CD2 3.27Å; I134-F138 WeakPolarHBondContact O-CD2 3.28Å; I134-F138 PolarHBondContact O-N 2.93Å; P135-F138 PolarHBondContact O-N 2.68Å; G136-F138 PolarHBondContact O-N 3.33Å; F138-K140 PolarHBondContact O-N 3.45Å; F138-K140 VanDerWaalsContact O-N 3.16Å
139G80Confident75.7Confident68 Ų6879.6 Ų79.670%0.70142%0.423SS*.Iπ-helixtrans73.74.1173.600000115.1G136 I137 G141G136-G139 PolarHBondContact O-N 3.41Å; G136-G139 VanDerWaalsContact O-N 3.09Å; I137-G139 VanDerWaalsContact C-N 3.26Å; I137-G139 PolarHBondContact O-N 2.64Å; G139-G141 PolarHBondContact O-N 3.49Å
140K74.1Confident73.8Confident133 Ų13378.4 Ų78.458%0.57843%0.428SS*.Iπ-helixtrans-86.628.5168.5-58.4-177.6178.6177.30111.3L89 P135 F138L89-K140 WeakPolarHBondContact CD1-O 3.49Å; P135-K140 HydrophobicContact CB-CB 4.16Å; P135-K140 CarbonylContact O-C 3.54Å; P135-K140 WeakPolarHBondContact O-CA 3.12Å; P135-K140 VanDerWaalsContact O-CB 3.3Å; P135-K140 WeakPolarHBondContact O-CB 3.32Å; P135-K140 PolarHBondContact O-N 3.27Å; F138-K140 PolarHBondContact O-N 3.45Å; F138-K140 VanDerWaalsContact O-N 3.16Å
141G69.1Low72.4Confident28 Ų2879.1 Ų79.129%0.28944%0.438SS..SBendtrans-72.2176.1167.100000111.1G139 G143G139-G141 PolarHBondContact O-N 3.49Å; G141-G143 PolarHBondContact O-N 2.69Å; G141-G143 VanDerWaalsContact O-N 3.16Å
142I66.4Low71Confident28 Ų2881.1 Ų81.114%0.14445%0.452CS..  trans-76.4108.3171-55.3148.2000106.5L89 V93 M144 H214 T218L89-I142 HydrophobicContact CB-CG1 3.94Å; V93-I142 HydrophobicContact CB-CD1 4.1Å; V93-I142 HydrophobicContact CG1-CD1 3.42Å; V93-I142 VanDerWaalsContact CG1-CD1 3.42Å; V93-I142 HydrophobicContact CG1-CG1 4.35Å; V93-I142 HydrophobicContact CG2-CD1 3.77Å; V93-I142 HydrophobicContact CG2-CG1 4.38Å; I142-M144 HydrophobicContact CB-CG 4.01Å; I142-M144 HydrophobicContact CG2-CG 3.33Å; I142-M144 HydrophobicContact CG2-SD 4.35Å; I142-M144 PolarHBondContact O-N 3.08Å; I142-H214 HydrophobicContact CD1-CB 4.1Å; I142-T218 WeakPolarHBondContact CD1-OG1 3.43Å
143G59.6Low69.5Low76 Ų7684.8 Ų84.878%0.78448%0.48SS*.  trans-65.589.4161.400000108G141G141-G143 PolarHBondContact O-N 2.69Å; G141-G143 VanDerWaalsContact O-N 3.16Å
144M53.4Low68.5Low21 Ų2185.8 Ų85.810%0.10350%0.497CS..  trans-84.1151.4172.1-59.9-173100.600108.8I97 I142 R148 N149 T218I97-M144 HydrophobicContact CD1-CE 4.06Å; I97-M144 HydrophobicContact CG1-CE 4.47Å; I142-M144 HydrophobicContact CB-CG 4.01Å; I142-M144 HydrophobicContact CG2-CG 3.33Å; I142-M144 HydrophobicContact CG2-SD 4.35Å; I142-M144 PolarHBondContact O-N 3.08Å; M144-R148 HydrophobicContact CB-CB 3.68Å; M144-R148 HydrophobicContact CE-CB 4.36Å; M144-R148 HydrophobicContact CE-CG 4.46Å; M144-R148 HydrophobicContact CG-CB 4.26Å; M144-R148 HydrophobicContact SD-CB 3.62Å; M144-R148 HydrophobicContact SD-CG 4.32Å; M144-N149 PolarHBondContact O-ND2 2.88Å; M144-T218 HydrophobicContact CE-CG2 3.9Å; M144-T218 HydrophobicContact SD-CG2 4.5Å
145E51.3Low68.2Low174 Ų17492.5 Ų92.581%0.81352%0.52SS*.  trans-48.4141.7167.8-67.2173.3174.300110K147 R148E145-K147 PolarHBondContact O-N 2.93Å; E145-R148 PolarHBondContact O-N 3.35Å
146E46.8Very low68.4Low185 Ų18592.5 Ų92.586%0.86452%0.52SS*.G310 helixtrans-39.4-35.2-163.9-63.4177.8162.300115.8R148 N149E146-R148 PolarHBondContact O-N 3.42Å; E146-R148 VanDerWaalsContact O-N 3.17Å; E146-N149 PolarHBondContact O-N 2.94Å
147K47.7Very low68.8Low208 Ų20891.4 Ų91.490%0.90451%0.509SS*.G310 helixtrans-67.4-10.9-178.7-67.8-173.4177.8179.70115.4E145E145-K147 PolarHBondContact O-N 2.93Å
148R54.5Low69.1Low71 Ų7190 Ų9027%0.26850%0.498SS..G310 helixtrans-114.51.6-178.6-63.1-177.2-170.31798.3114.2M144 E145 E146 A150 N221M144-R148 HydrophobicContact CB-CB 3.68Å; M144-R148 HydrophobicContact CE-CB 4.36Å; M144-R148 HydrophobicContact CE-CG 4.46Å; M144-R148 HydrophobicContact CG-CB 4.26Å; M144-R148 HydrophobicContact SD-CB 3.62Å; M144-R148 HydrophobicContact SD-CG 4.32Å; E145-R148 PolarHBondContact O-N 3.35Å; E146-R148 PolarHBondContact O-N 3.42Å; E146-R148 VanDerWaalsContact O-N 3.17Å; R148-A150 PolarHBondContact O-N 3.04Å; R148-N221 WeakPolarHBondContact O-CB 3.37Å; R148-N221 PolarHBondContact O-ND2 3.01Å
149N54.5Low69.6Low87 Ų8787.3 Ų87.347%0.46549%0.487SS..  trans-88.939.2174.9-64.5-30.7000111.7M144 E146 P151M144-N149 PolarHBondContact O-ND2 2.88Å; E146-N149 PolarHBondContact O-N 2.94Å; N149-P151 WeakPolarHBondContact O-CD 3.46Å
150A57.4Low70.4Confident57 Ų5791.6 Ų91.647%0.47149%0.487SS..  trans-61.8127169.300000107.3R148 V152 N221R148-A150 PolarHBondContact O-N 3.04Å; A150-V152 PolarHBondContact O-N 2.77Å; A150-N221 PolarHBondContact O-OD1 3.46Å
151P66.8Low71.5Confident102 Ų10285.7 Ų85.766%0.66246%0.462SS*.  trans-54.9145.3168.823.5-31.4000108.1N149 S153N149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-S153 VanDerWaalsContact C-N 3.28Å; P151-S153 PolarHBondContact O-N 2.83Å
152V69Low72.9Confident73 Ų7385.1 Ų85.144%0.44245%0.451SS..  trans-62.498.1169.8178.10000106.7A150 G154 L156 Y220A150-V152 PolarHBondContact O-N 2.77Å; V152-G154 WeakPolarHBondContact CG1-O 3.04Å; V152-L156 HydrophobicContact CG1-CB 4.27Å; V152-L156 HydrophobicContact CG2-CD1 4.38Å; V152-Y220 HydrophobicContact CB-CE1 4.36Å; V152-Y220 HydrophobicContact CG1-CE1 4.3Å; V152-Y220 HydrophobicContact CG2-CD1 4.23Å; V152-Y220 HydrophobicContact CG2-CE1 4.23Å
153S63.6Low74.4Confident108 Ų10887.6 Ų87.676%0.75546%0.464SS*.  trans-96.7-1.5-17257.70000112.5P151 Y220P151-S153 VanDerWaalsContact C-N 3.28Å; P151-S153 PolarHBondContact O-N 2.83Å; S153-Y220 PolarHBondContact N-OH 3.15Å
154G74.5Confident76.2Confident42 Ų4285.7 Ų85.743%0.43344%0.436SS..SBendtrans-149.2-172.4176.300000112V152 L156 Y220V152-G154 WeakPolarHBondContact CG1-O 3.04Å; G154-L156 PolarHBondContact O-N 2.58Å; G154-L156 VanDerWaalsContact O-N 3.16Å; G154-Y220 PolarHBondContact N-OH 3.43Å
155R87.5Confident78.4Confident171 Ų17184.7 Ų84.765%0.64543%0.431SS*.  trans-70.3111.3177.9-65.4-173.7-179.5-174.11.1110.1Y157 E159R155-Y157 VanDerWaalsContact C-N 3.32Å; R155-Y157 PolarHBondContact O-N 2.84Å; R155-E159 IonicContact CZ-OE2 2.94Å; R155-E159 IonicContact NH1-OE2 3.01Å; R155-E159 PolarHBondContact NH1-OE2 3.01Å
156L94.4Very high80.5Confident9 Ų978.7 Ų78.75%0.04740%0.403CS..SBendtrans-59.3-44.8177.1-169.9153.5000111.2V152 G154 A216 V217 Y220 V226V152-L156 HydrophobicContact CG1-CB 4.27Å; V152-L156 HydrophobicContact CG2-CD1 4.38Å; G154-L156 PolarHBondContact O-N 2.58Å; G154-L156 VanDerWaalsContact O-N 3.16Å; L156-A216 HydrophobicContact CD2-CB 3.87Å; L156-V217 HydrophobicContact CD1-CG2 4.13Å; L156-Y220 HydrophobicContact CB-CD2 4.38Å; L156-Y220 HydrophobicContact CD1-CG 4.32Å; L156-Y220 HydrophobicContact CG-CD2 4.11Å; L156-Y220 HydrophobicContact CG-CG 4.13Å; L156-V226 HydrophobicContact CD2-CB 3.95Å; L156-V226 HydrophobicContact CD2-CG1 4.06Å; L156-V226 HydrophobicContact CD2-CG2 4.24Å
157Y97.1Very high82.9Confident1 Ų173.8 Ų73.80%0.00438%0.382CS..BIsolated β-bridgetrans-95.9106.3174.9-55.4-79.5000109.5V128 H131 R155 R162 A216 V226 A228V128-Y157 HydrophobicContact CB-CD1 4.41Å; V128-Y157 HydrophobicContact CB-CE1 4.17Å; V128-Y157 HydrophobicContact CG1-CD1 4.36Å; V128-Y157 HydrophobicContact CG1-CD2 4.12Å; V128-Y157 HydrophobicContact CG1-CE1 3.93Å; V128-Y157 HydrophobicContact CG1-CE2 3.66Å; V128-Y157 HydrophobicContact CG1-CG 4.43Å; V128-Y157 WeakPolarHBondContact O-CB 3.28Å; H131-Y157 HydrophobicContact CB-CE2 4.17Å; H131-Y157 AromaticContact CG-CE2 3.96Å; H131-Y157 AromaticContact ND1-CE2 3.42Å; H131-Y157 WeakPolarHBondContact ND1-CE2 3.37Å; H131-Y157 AromaticContact ND1-CZ 3.52Å; H131-Y157 PolarHBondContact ND1-OH 3.4Å; R155-Y157 VanDerWaalsContact C-N 3.32Å; R155-Y157 PolarHBondContact O-N 2.84Å; Y157-R162 PolarHBondContact O-NH1 3.43Å; Y157-A216 HydrophobicContact CE1-CB 4.49Å; Y157-A216 WeakPolarHBondContact OH-CB 3.4Å; Y157-V226 HydrophobicContact CD1-CG1 4.17Å; Y157-V226 HydrophobicContact CE1-CG1 3.83Å; Y157-A228 HydrophobicContact CD1-CB 4.43Å; Y157-A228 HydrophobicContact CE1-CB 3.74Å
158K96.3Very high85.3Confident91 Ų9163.9 Ų63.940%0.39634%0.339SS..  trans-74.4132.8-175.3-66.3-177.9176.6-179.90111.6K160 L161 R162 D225K158-K160 PolarHBondContact O-N 3.37Å; K158-L161 HydrophobicContact CB-CD1 4.1Å; K158-L161 HydrophobicContact CB-CG 4.15Å; K158-L161 HydrophobicContact CD-CD1 4.43Å; K158-L161 PolarHBondContact O-N 3.17Å; K158-L161 VanDerWaalsContact O-N 3.14Å; K158-R162 PolarHBondContact O-N 3.45Å; K158-D225 WeakPolarHBondContact CE-OD1 3.34Å; K158-D225 IonicContact NZ-OD1 2.78Å; K158-D225 PolarHBondContact NZ-OD1 2.99Å; K158-D225 IonicContact NZ-OD2 3.98Å; K158-D225 PolarHBondContact NZ-OD2 2.79Å
159E96.7Very high87.3Confident100 Ų10060.7 Ų60.747%0.46733%0.327SS..Hα-helixtrans-56.5-46.2178.2-170.5169.8152.200112.4R155 L161 R162 D163R155-E159 IonicContact CZ-OE2 2.94Å; R155-E159 IonicContact NH1-OE2 3.01Å; R155-E159 PolarHBondContact NH1-OE2 3.01Å; E159-L161 VanDerWaalsContact C-N 3.25Å; E159-L161 PolarHBondContact O-N 2.95Å; E159-L161 VanDerWaalsContact O-N 3.14Å; E159-R162 CarbonylContact O-C 3.47Å; E159-R162 WeakPolarHBondContact O-CA 3.23Å; E159-R162 WeakPolarHBondContact O-CB 3.5Å; E159-R162 PolarHBondContact O-N 3.02Å; E159-D163 PolarHBondContact O-N 3.25Å
160K97.4Very high89.2Confident159 Ų15964 Ų6469%0.69133%0.333SS*.Hα-helixtrans-52.6-39.6176.1-177.9-178.8177.3-175.80113.7K158 R162 L164K158-K160 PolarHBondContact O-N 3.37Å; K160-R162 VanDerWaalsContact C-N 3.33Å; K160-L164 WeakPolarHBondContact O-CG 3.47Å; K160-L164 PolarHBondContact O-N 2.92Å; K160-L164 VanDerWaalsContact O-N 3.12Å
161L98Very high91Very high9 Ų965.8 Ų65.85%0.04733%0.332CS..Hα-helixtrans-72.6-33.2179.1-61.7175.1000111.1K158 E159 F165 D225 I227 F266 L270K158-L161 HydrophobicContact CB-CD1 4.1Å; K158-L161 HydrophobicContact CB-CG 4.15Å; K158-L161 HydrophobicContact CD-CD1 4.43Å; K158-L161 PolarHBondContact O-N 3.17Å; K158-L161 VanDerWaalsContact O-N 3.14Å; E159-L161 VanDerWaalsContact C-N 3.25Å; E159-L161 PolarHBondContact O-N 2.95Å; E159-L161 VanDerWaalsContact O-N 3.14Å; L161-F165 WeakPolarHBondContact O-CB 3.39Å; L161-F165 PolarHBondContact O-N 2.79Å; L161-D225 HydrophobicContact CD1-CB 3.81Å; L161-I227 HydrophobicContact CB-CB 4.45Å; L161-I227 HydrophobicContact CB-CD1 4.11Å; L161-F266 HydrophobicContact CD2-CZ 4.4Å; L161-F266 WeakPolarHBondContact O-CE2 3.48Å; L161-L270 HydrophobicContact CD2-CD2 3.85Å
162R98Very high92.3Very high16 Ų1661.2 Ų61.26%0.0630%0.302CS..Hα-helixtrans-67.9-41.7174.3-62-159.9-57-77.9-5.7112.2L127 Y157 K158 E159 K160 L164 F165 Q166 E180 I227L127-R162 HydrophobicContact CD2-CB 3.44Å; L127-R162 VanDerWaalsContact CD2-CB 3.44Å; L127-R162 HydrophobicContact CD2-CG 3.53Å; L127-R162 HydrophobicContact CG-CB 4.47Å; L127-R162 HydrophobicContact CG-CG 4.04Å; Y157-R162 PolarHBondContact O-NH1 3.43Å; K158-R162 PolarHBondContact O-N 3.45Å; E159-R162 CarbonylContact O-C 3.47Å; E159-R162 WeakPolarHBondContact O-CA 3.23Å; E159-R162 WeakPolarHBondContact O-CB 3.5Å; E159-R162 PolarHBondContact O-N 3.02Å; K160-R162 VanDerWaalsContact C-N 3.33Å; R162-L164 PolarHBondContact O-N 2.93Å; R162-F165 WeakPolarHBondContact O-CB 3.12Å; R162-F165 PolarHBondContact O-N 3.38Å; R162-F165 VanDerWaalsContact O-N 3.15Å; R162-Q166 VanDerWaalsContact O-CG 3.31Å; R162-Q166 WeakPolarHBondContact O-CG 3.3Å; R162-Q166 PolarHBondContact O-N 3.31Å; R162-E180 IonicContact CZ-OE2 3.58Å; R162-E180 IonicContact NE-OE1 3.89Å; R162-E180 PolarHBondContact NE-OE1 2.91Å; R162-E180 IonicContact NE-OE2 2.84Å; R162-E180 PolarHBondContact NE-OE2 3.37Å; R162-E180 IonicContact NH2-OE2 3.52Å; R162-I227 HydrophobicContact CG-CD1 3.85Å
163D98.1Very high93.4Very high79 Ų7964.5 Ų64.542%0.42231%0.313SS..Hα-helixtrans-60.7-45.1175-62.5-30.6000111.7E159 F165 Q166 I167E159-D163 PolarHBondContact O-N 3.25Å; D163-F165 VanDerWaalsContact C-N 3.3Å; D163-F165 PolarHBondContact O-N 3.37Å; D163-Q166 PolarHBondContact O-N 3.09Å; D163-I167 WeakPolarHBondContact O-CG1 3.48Å; D163-I167 PolarHBondContact O-N 3.31Å
164L98.1Very high94.6Very high36 Ų3663.7 Ų63.719%0.18831%0.305CS..Hα-helixtrans-61.8-39.1175-72.5175.3000111.9K160 R162 I167 A168 F266 L269 L270K160-L164 WeakPolarHBondContact O-CG 3.47Å; K160-L164 PolarHBondContact O-N 2.92Å; K160-L164 VanDerWaalsContact O-N 3.12Å; R162-L164 PolarHBondContact O-N 2.93Å; L164-I167 HydrophobicContact CD2-CD1 4.43Å; L164-I167 PolarHBondContact O-N 3.48Å; L164-A168 WeakPolarHBondContact O-CB 3.44Å; L164-A168 PolarHBondContact O-N 3.42Å; L164-F266 HydrophobicContact CB-CD2 4.01Å; L164-F266 HydrophobicContact CB-CE2 3.94Å; L164-L269 HydrophobicContact CD2-CB 4.47Å; L164-L270 HydrophobicContact CD1-CD2 4.09Å
165F98Very high95.3Very high0 Ų068.6 Ų68.60%031%0.311CS..Hα-helixtrans-64.8-41.8176.1-166.6-85.9000111.8F108 L127 L161 R162 D163 I167 A168 A169 I178 I227 A229 L259 I262 F266F108-F165 HydrophobicContact CE1-CE2 4.43Å; F108-F165 AromaticContact CE2-CE2 3.89Å; F108-F165 HydrophobicContact CE2-CE2 3.89Å; F108-F165 AromaticContact CZ-CE2 3.67Å; F108-F165 HydrophobicContact CZ-CE2 3.67Å; F108-F165 HydrophobicContact CZ-CZ 4.19Å; L127-F165 HydrophobicContact CD1-CB 4.48Å; L127-F165 HydrophobicContact CD1-CD1 3.91Å; L127-F165 HydrophobicContact CD1-CD2 4.45Å; L127-F165 HydrophobicContact CD1-CE1 4.24Å; L127-F165 HydrophobicContact CD1-CG 4.02Å; L127-F165 HydrophobicContact CD2-CB 4.23Å; L127-F165 HydrophobicContact CD2-CD1 4.15Å; L127-F165 HydrophobicContact CD2-CG 4.42Å; L161-F165 WeakPolarHBondContact O-CB 3.39Å; L161-F165 PolarHBondContact O-N 2.79Å; R162-F165 WeakPolarHBondContact O-CB 3.12Å; R162-F165 PolarHBondContact O-N 3.38Å; R162-F165 VanDerWaalsContact O-N 3.15Å; D163-F165 VanDerWaalsContact C-N 3.3Å; D163-F165 PolarHBondContact O-N 3.37Å; F165-I167 VanDerWaalsContact C-N 3.35Å; F165-I167 PolarHBondContact O-N 3.23Å; F165-A168 WeakPolarHBondContact O-CB 3.4Å; F165-A168 PolarHBondContact O-N 3.17Å; F165-A169 WeakPolarHBondContact O-CB 3.46Å; F165-A169 PolarHBondContact O-N 3.13Å; F165-I178 HydrophobicContact CE1-CD1 4.27Å; F165-I227 HydrophobicContact CD2-CG1 4.37Å; F165-A229 HydrophobicContact CZ-CB 4.26Å; F165-L259 HydrophobicContact CZ-CD1 3.68Å; F165-I262 HydrophobicContact CD1-CG2 4.02Å; F165-I262 HydrophobicContact CD2-CG2 4.27Å; F165-I262 HydrophobicContact CE1-CG2 3.54Å; F165-I262 HydrophobicContact CE2-CG2 3.81Å; F165-I262 HydrophobicContact CG-CG2 4.36Å; F165-I262 HydrophobicContact CZ-CB 4.13Å; F165-I262 HydrophobicContact CZ-CG2 3.42Å; F165-I262 VanDerWaalsContact CZ-CG2 3.42Å; F165-F266 HydrophobicContact CB-CD2 4.01Å; F165-F266 HydrophobicContact CB-CE2 4.44Å; F165-F266 HydrophobicContact CD2-CB 3.98Å; F165-F266 HydrophobicContact CD2-CD1 4.21Å; F165-F266 HydrophobicContact CD2-CD2 4.14Å; F165-F266 AromaticContact CD2-CG 3.83Å; F165-F266 HydrophobicContact CD2-CG 3.83Å
166Q97.2Very high95.3Very high49 Ų4961 Ų6123%0.22928%0.283CS..Hα-helixtrans-63.6-38.4174.1-69.1-80.917.200112R162 D163 A169 R170R162-Q166 VanDerWaalsContact O-CG 3.31Å; R162-Q166 WeakPolarHBondContact O-CG 3.3Å; R162-Q166 PolarHBondContact O-N 3.31Å; D163-Q166 PolarHBondContact O-N 3.09Å; Q166-A169 PolarHBondContact O-N 3.06Å; Q166-R170 WeakPolarHBondContact O-CG 3.47Å; Q166-R170 PolarHBondContact O-N 3.15Å
167I97.3Very high95.2Very high81 Ų8163.9 Ų63.942%0.41530%0.302SS..Hα-helixtrans-62.9-45.9173.1-69.8159.9000110.5D163 L164 F165 A169 R170 L269D163-I167 WeakPolarHBondContact O-CG1 3.48Å; D163-I167 PolarHBondContact O-N 3.31Å; L164-I167 HydrophobicContact CD2-CD1 4.43Å; L164-I167 PolarHBondContact O-N 3.48Å; F165-I167 VanDerWaalsContact C-N 3.35Å; F165-I167 PolarHBondContact O-N 3.23Å; I167-A169 VanDerWaalsContact C-N 3.29Å; I167-A169 PolarHBondContact O-N 3.32Å; I167-R170 PolarHBondContact O-N 3.14Å; I167-L269 HydrophobicContact CB-CD1 4.33Å; I167-L269 HydrophobicContact CG2-CD1 3.89Å
168A97Very high95.2Very high0 Ų065.2 Ų65.20%031%0.31CS..Hα-helixtrans-59.9-40.5176.800000112.1L164 F165 R170 Q171 I262 K265 F266 L269L164-A168 WeakPolarHBondContact O-CB 3.44Å; L164-A168 PolarHBondContact O-N 3.42Å; F165-A168 WeakPolarHBondContact O-CB 3.4Å; F165-A168 PolarHBondContact O-N 3.17Å; A168-R170 VanDerWaalsContact C-N 3.3Å; A168-R170 PolarHBondContact O-N 3.2Å; A168-Q171 WeakPolarHBondContact O-CB 3.42Å; A168-Q171 PolarHBondContact O-N 3.41Å; A168-Q171 VanDerWaalsContact O-N 3.12Å; A168-I262 HydrophobicContact CB-CG2 4.16Å; A168-K265 HydrophobicContact CB-CB 3.84Å; A168-F266 HydrophobicContact CB-CB 3.75Å; A168-F266 VanDerWaalsContact CB-N 3.3Å; A168-L269 HydrophobicContact CB-CD1 4.04Å
169A96.4Very high95.2Very high4 Ų463.2 Ų63.23%0.03330%0.302CS..Hα-helixtrans-62.7-34.5178.600000114.1F165 Q166 I167 Q171 V172 I178 I262F165-A169 WeakPolarHBondContact O-CB 3.46Å; F165-A169 PolarHBondContact O-N 3.13Å; Q166-A169 PolarHBondContact O-N 3.06Å; I167-A169 VanDerWaalsContact C-N 3.29Å; I167-A169 PolarHBondContact O-N 3.32Å; A169-Q171 PolarHBondContact O-N 2.94Å; A169-Q171 VanDerWaalsContact O-N 3.14Å; A169-V172 PolarHBondContact O-N 2.86Å; A169-I178 HydrophobicContact CB-CD1 3.14Å; A169-I178 HydrophobicContact CB-CG1 4.46Å; A169-I262 HydrophobicContact CB-CD1 4.16Å; A169-I262 HydrophobicContact CB-CG1 4.28Å; A169-I262 HydrophobicContact CB-CG2 3.99Å
170R95.5Very high95.3Very high156 Ų15661.2 Ų61.259%0.58929%0.292SS*.THydrogen-bonded Turntrans-65.7-14.3177.2-69.2173-171.8-172.43.2113.7Q166 I167 A168 R175Q166-R170 WeakPolarHBondContact O-CG 3.47Å; Q166-R170 PolarHBondContact O-N 3.15Å; I167-R170 PolarHBondContact O-N 3.14Å; A168-R170 VanDerWaalsContact C-N 3.3Å; A168-R170 PolarHBondContact O-N 3.2Å; R170-R175 PolarHBondContact O-NH2 3.4Å
171Q94.3Very high95.3Very high95 Ų9553.6 Ų53.644%0.44426%0.259SS..THydrogen-bonded Turntrans-96.8-0.2-179.9-57.7174.815.300113.1A168 A169 K265A168-Q171 WeakPolarHBondContact O-CB 3.42Å; A168-Q171 PolarHBondContact O-N 3.41Å; A168-Q171 VanDerWaalsContact O-N 3.12Å; A169-Q171 PolarHBondContact O-N 2.94Å; A169-Q171 VanDerWaalsContact O-N 3.14Å; Q171-K265 HydrophobicContact CB-CD 3.55Å; Q171-K265 WeakPolarHBondContact O-CE 3.48Å; Q171-K265 PolarHBondContact O-NZ 3.46Å
172V93.2Very high95.3Very high6 Ų655 Ų554%0.03627%0.266CS..SBendtrans-101.3134.4175.6-179.80000108.8A169 C261 I262 K265A169-V172 PolarHBondContact O-N 2.86Å; V172-C261 HydrophobicContact CG1-CB 4.36Å; V172-C261 HydrophobicContact CG2-CB 4.3Å; V172-I262 HydrophobicContact CB-CG1 4.23Å; V172-I262 HydrophobicContact CG2-CB 4.43Å; V172-I262 HydrophobicContact CG2-CG1 3.65Å; V172-K265 HydrophobicContact CG2-CD 3.73Å
173E92.3Very high95.3Very high142 Ų14254.3 Ų54.366%0.66426%0.263SS*.SBendtrans-125.8134.6178.1-67-63.9167.400110.3R175E173-R175 PolarHBondContact OE2-N 3.44Å
174P88.7Confident95.3Very high92 Ų9250.5 Ų50.560%0.59724%0.243SC*.SBendcis-65.4148.6-5.331.1-35.4000111P176P174-P176 WeakPolarHBondContact O-CD 3.2Å
175R89Confident95.2Very high145 Ų14548.8 Ų48.855%0.54723%0.234SC..  trans-68.5113.9179.1-175174.6-65.7168.51.8110.6R170 E173R170-R175 PolarHBondContact O-NH2 3.4Å; E173-R175 PolarHBondContact OE2-N 3.44Å
176P87.7Confident95.1Very high11 Ų1150.2 Ų50.27%0.07124%0.241CC..  trans-72148.5175.131.3-34.5000110.2I125 P174 I178 D258 I262I125-P176 HydrophobicContact CD1-CB 4.06Å; I125-P176 HydrophobicContact CD1-CG 4Å; P174-P176 WeakPolarHBondContact O-CD 3.2Å; P176-I178 HydrophobicContact CG-CG1 4.47Å; P176-I178 PolarHBondContact O-N 3.18Å; P176-D258 HydrophobicContact CB-CB 4.44Å; P176-D258 HydrophobicContact CG-CB 4.22Å; P176-I262 HydrophobicContact CG-CD1 3.67Å
177P93.3Very high94.8Very high69 Ų6950.7 Ų50.745%0.44825%0.246SC..  trans-61.4126.1169.2-21.133.1000110.6D124 I125D124-P177 HydrophobicContact CB-CB 4.49Å; D124-P177 WeakPolarHBondContact OD1-CB 3.24Å; I125-P177 PolarHBondContact N-O 2.88Å
178I96.2Very high94.4Very high30 Ų3047.5 Ų47.515%0.15423%0.233CC..EExtended strand (participates in β ladder)trans-123.6124.8177.3-57.1-173.9000110.3I125 F165 A169 P176 I262I125-I178 HydrophobicContact CB-CG1 4.22Å; I125-I178 HydrophobicContact CG2-CG1 4.44Å; I125-I178 CarbonylContact O-C 3.59Å; I125-I178 VanDerWaalsContact O-CA 3.26Å; I125-I178 WeakPolarHBondContact O-CA 3.44Å; F165-I178 HydrophobicContact CE1-CD1 4.27Å; A169-I178 HydrophobicContact CB-CD1 3.14Å; A169-I178 HydrophobicContact CB-CG1 4.46Å; P176-I178 HydrophobicContact CG-CG1 4.47Å; P176-I178 PolarHBondContact O-N 3.18Å; I178-I262 HydrophobicContact CD1-CD1 3.69Å
179H97.4Very high94.1Very high49 Ų4952 Ų5223%0.22726%0.262CS..EExtended strand (participates in β ladder)trans-113.8161.5177.9-53.7-74000111.4Y120 D124 I125 M126 L127Y120-H179 HydrophobicContact CD1-CB 4.06Å; Y120-H179 AromaticContact CD1-CD2 3.46Å; Y120-H179 VanDerWaalsContact CD1-CD2 3.46Å; Y120-H179 WeakPolarHBondContact CD1-CD2 3.47Å; Y120-H179 AromaticContact CD1-CE1 3.91Å; Y120-H179 AromaticContact CD1-CG 3.54Å; Y120-H179 AromaticContact CD1-ND1 3.85Å; Y120-H179 AromaticContact CD1-NE2 3.7Å; Y120-H179 HydrophobicContact CE1-CB 3.4Å; Y120-H179 AromaticContact CE1-CD2 3.76Å; Y120-H179 AromaticContact CE1-CG 3.33Å; Y120-H179 AromaticContact CE1-ND1 3.68Å; Y120-H179 HydrophobicContact CE2-CB 4.42Å; D124-H179 IonicContact OD2-CD2 2.87Å; D124-H179 IonicContact OD2-CE1 3.98Å; D124-H179 IonicContact OD2-NE2 2.58Å; D124-H179 PolarHBondContact OD2-NE2 3.18Å; I125-H179 PolarHBondContact O-N 3Å; M126-H179 CarbonylContact C-O 3.55Å; M126-H179 WeakPolarHBondContact CA-O 2.98Å; L127-H179 PolarHBondContact N-O 3.26Å
180E97.9Very high93.8Very high57 Ų5755.2 Ų55.227%0.26629%0.289SS..EExtended strand (participates in β ladder)trans-112.7122.7167.3-68.5-161.1-17700111.1Y120 L127 K129 R162Y120-E180 PolarHBondContact OH-O 3.47Å; L127-E180 HydrophobicContact CB-CG 4.38Å; L127-E180 HydrophobicContact CD2-CG 4.49Å; L127-E180 WeakPolarHBondContact O-CA 3.32Å; K129-E180 HydrophobicContact CB-CB 4.36Å; K129-E180 HydrophobicContact CD-CB 4.18Å; K129-E180 PolarHBondContact NZ-O 3.19Å; R162-E180 IonicContact CZ-OE2 3.58Å; R162-E180 IonicContact NE-OE1 3.89Å; R162-E180 PolarHBondContact NE-OE1 2.91Å; R162-E180 IonicContact NE-OE2 2.84Å; R162-E180 PolarHBondContact NE-OE2 3.37Å; R162-E180 IonicContact NH2-OE2 3.52Å
181G97.9Very high93.6Very high0 Ų049.6 Ų49.60%027%0.273CS..EExtended strand (participates in β ladder)trans-145.3165.2-171.600000115.3L127 K129 D206L127-G181 PolarHBondContact O-N 3.33Å; K129-G181 PolarHBondContact N-O 3.36Å; G181-D206 WeakPolarHBondContact CA-OD2 3.42Å
182I98.2Very high93.6Very high39 Ų3945.6 Ų45.620%0.226%0.256CS..EExtended strand (participates in β ladder)trans-86.4120.3174.4-58.8-178.7000108.7K129 D130 I132 D206 A207K129-I182 HydrophobicContact CG-CG1 4.48Å; D130-I182 HydrophobicContact CB-CG1 4.43Å; D130-I182 WeakPolarHBondContact O-CA 3.44Å; I132-I182 HydrophobicContact CD1-CG2 4.12Å; I132-I182 HydrophobicContact CG1-CG2 3.83Å; I182-D206 PolarHBondContact N-OD2 3.34Å; I182-D206 PolarHBondContact O-N 3.43Å; I182-A207 PolarHBondContact O-N 2.81Å
183Y98.3Very high93.7Very high0 Ų049.1 Ų49.10%028%0.278CS..EExtended strand (participates in β ladder)trans-95120.2178.8174.3-94.3000111.3T111 A113 M126 D130 H131 I132 M185 A207 G209 M210 G211 I212T111-Y183 HydrophobicContact CG2-CE2 4.13Å; A113-Y183 HydrophobicContact CB-CD2 4.18Å; A113-Y183 HydrophobicContact CB-CE2 3.81Å; M126-Y183 HydrophobicContact CE-CD2 4.43Å; D130-Y183 PolarHBondContact O-N 3.2Å; H131-Y183 CarbonylContact C-O 3.52Å; H131-Y183 WeakPolarHBondContact CA-O 3.44Å; H131-Y183 HydrophobicContact CB-CD1 4.48Å; H131-Y183 VanDerWaalsContact CB-O 3.24Å; H131-Y183 WeakPolarHBondContact CB-O 3.29Å; I132-Y183 PolarHBondContact N-O 3.26Å; Y183-M185 HydrophobicContact CE1-CB 3.85Å; Y183-A207 HydrophobicContact CD2-CB 4.45Å; Y183-G209 VanDerWaalsContact OH-C 3.25Å; Y183-G209 WeakPolarHBondContact OH-CA 3.32Å; Y183-M210 PolarHBondContact OH-N 3.05Å; Y183-G211 VanDerWaalsContact CE1-O 3.23Å; Y183-G211 WeakPolarHBondContact CE1-O 3.32Å; Y183-G211 PolarHBondContact OH-N 3.36Å; Y183-G211 PolarHBondContact OH-O 2.98Å; Y183-I212 HydrophobicContact CD1-CD1 3.85Å; Y183-I212 HydrophobicContact CD1-CG1 3.92Å; Y183-I212 HydrophobicContact CE1-CD1 3.76Å; Y183-I212 HydrophobicContact CE1-CG1 3.37Å; Y183-I212 HydrophobicContact CG-CD1 4.24Å
184A97.9Very high93.9Very high0 Ų045.9 Ų45.90%026%0.262CS..EExtended strand (participates in β ladder)trans-91.3125.6170.900000111I132 L200 A205 A207 V208 G209I132-A184 HydrophobicContact CB-CB 4.39Å; I132-A184 WeakPolarHBondContact O-CA 3.46Å; A184-L200 HydrophobicContact CB-CD1 4.25Å; A184-L200 HydrophobicContact CB-CD2 3.93Å; A184-A205 HydrophobicContact CB-CB 3.69Å; A184-A207 PolarHBondContact N-O 2.89Å; A184-V208 CarbonylContact O-C 3.5Å; A184-V208 WeakPolarHBondContact O-CA 3.4Å; A184-G209 PolarHBondContact O-N 3.24Å
185M96.2Very high94.3Very high0 Ų046.8 Ų46.80%027%0.267CS..EExtended strand (participates in β ladder)trans-99120.6170.3-178-176166.300110.4I132 Y133 I134 P135 Y183 G209 M210 G211 C213 H214I132-M185 PolarHBondContact O-N 3.32Å; Y133-M185 HydrophobicContact CD2-CB 4.19Å; Y133-M185 HydrophobicContact CD2-CG 4.28Å; Y133-M185 HydrophobicContact CD2-SD 3.71Å; Y133-M185 HydrophobicContact CE2-CE 3.98Å; Y133-M185 HydrophobicContact CE2-CG 4.45Å; Y133-M185 HydrophobicContact CE2-SD 3.5Å; Y133-M185 WeakPolarHBondContact CE2-SD 3.32Å; I134-M185 WeakPolarHBondContact CB-O 3.2Å; I134-M185 PolarHBondContact N-O 2.85Å; P135-M185 WeakPolarHBondContact CD-O 3.45Å; Y183-M185 HydrophobicContact CE1-CB 3.85Å; M185-G209 WeakPolarHBondContact CA-O 3.37Å; M185-M210 WeakPolarHBondContact CE-O 3.5Å; M185-G211 VanDerWaalsContact SD-O 3.35Å; M185-C213 HydrophobicContact CB-CB 4.03Å; M185-C213 WeakPolarHBondContact CB-SG 3.31Å; M185-C213 HydrophobicContact CG-CB 4.48Å; M185-C213 HydrophobicContact SD-CB 3.67Å; M185-H214 VanDerWaalsContact CE-ND1 3.28Å; M185-H214 WeakPolarHBondContact CE-ND1 3.43Å
186I94.8Very high94.7Very high29 Ų2944.7 Ų44.715%0.14926%0.263CS..PPolyproline II helixtrans-96.8168.2164.163171.1000110.4A192 L200 V208 G209 M210I186-A192 HydrophobicContact CD1-CB 4.24Å; I186-L200 HydrophobicContact CG2-CD1 4.14Å; I186-V208 HydrophobicContact CD1-CG2 4.2Å; I186-V208 HydrophobicContact CG1-CG2 4.12Å; I186-V208 HydrophobicContact CG2-CG2 4.14Å; I186-G209 WeakPolarHBondContact CG1-O 3.39Å; I186-G209 PolarHBondContact N-O 3Å; I186-M210 HydrophobicContact CD1-CE 4.39Å; I186-M210 HydrophobicContact CG1-CG 4.09Å; I186-M210 WeakPolarHBondContact O-CA 3.47Å
187N90.6Very high95.2Very high60 Ų6044.2 Ų44.232%0.32126%0.26SS..  trans-72.2-31.8-176.6-172.175.2000113.6F84 P135F84-N187 WeakPolarHBondContact CB-O 3.48Å; F84-N187 WeakPolarHBondContact CD1-O 3.37Å; P135-N187 HydrophobicContact CG-CB 4.05Å
188G90.2Very high95.4Very high14 Ų1444.5 Ų44.514%0.14426%0.258CS..  trans66.8-179.2-163.300000112.8
189P89.7Confident95.5Very high94 Ų9448.5 Ų48.561%0.6127%0.274SS*.SBendcis-82.8-12.20.734-33.4000113.4F84F84-P189 HydrophobicContact CB-CB 4.39Å; F84-P189 HydrophobicContact CD2-CB 3.8Å; F84-P189 HydrophobicContact CE2-CB 4.32Å; F84-P189 HydrophobicContact CG-CB 4.32Å
190A90.9Very high95.5Very high72 Ų7246.4 Ų46.460%0.59526%0.264SS*.SBendtrans-64.4136.3175.400000110.2M210A190-M210 WeakPolarHBondContact O-CE 3.22Å
191C91.1Very high95.5Very high37 Ų3746.5 Ų46.525%0.2526%0.262CS..PPolyproline II helixtrans-71.1151.9165.6-610000109M210 Y236C191-M210 HydrophobicContact CB-CE 4.46Å; C191-Y236 WeakPolarHBondContact CB-O 3.19Å; C191-Y236 PolarHBondContact SG-O 3.32Å; C191-Y236 VanDerWaalsContact SG-O 3.41Å
192A93.6Very high95.5Very high12 Ų1250.2 Ų50.210%0.09929%0.289CS..PPolyproline II helixtrans-65.6140.8179.200000111I186 E196 L197I186-A192 HydrophobicContact CD1-CB 4.24Å; A192-E196 WeakPolarHBondContact CA-OE2 3.34Å; A192-E196 HydrophobicContact CB-CB 3.84Å; A192-L197 HydrophobicContact CB-CD2 3.69Å; A192-L197 HydrophobicContact CB-CG 3.89Å
193T95.4Very high95.5Very high79 Ų7951.7 Ų51.749%0.48530%0.297SS..PPolyproline II helixtrans-68.4163.5166.3610000110.8T195 E196 L197T193-T195 VanDerWaalsContact C-N 3.25Å; T193-T195 PolarHBondContact O-N 2.94Å; T193-E196 WeakPolarHBondContact CB-OE2 3.17Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.22Å; T193-E196 PolarHBondContact N-OE2 2.93Å; T193-E196 WeakPolarHBondContact O-CB 3.31Å; T193-E196 PolarHBondContact O-N 3.38Å; T193-E196 VanDerWaalsContact OG1-CG 3.31Å; T193-E196 WeakPolarHBondContact OG1-CG 3.5Å; T193-E196 PolarHBondContact OG1-N 3.08Å; T193-E196 PolarHBondContact OG1-OE2 2.87Å; T193-L197 WeakPolarHBondContact O-CG 3.39Å; T193-L197 PolarHBondContact O-N 3.14Å
194E96.6Very high95.4Very high74 Ų7459.1 Ų59.135%0.34633%0.329SS..Hα-helixtrans-57.7-37.6178.9-174.752.5-142.600112.8L197 N198 R201 Y236E194-L197 PolarHBondContact O-N 3.39Å; E194-N198 WeakPolarHBondContact O-CB 3.39Å; E194-N198 PolarHBondContact O-N 3.4Å; E194-N198 PolarHBondContact O-ND2 2.93Å; E194-N198 PolarHBondContact OE1-ND2 3.24Å; E194-R201 IonicContact OE1-NH1 3.69Å; E194-R201 PolarHBondContact OE1-NH1 2.89Å; E194-Y236 PolarHBondContact OE2-OH 3.11Å; E194-Y236 VanDerWaalsContact OE2-OH 3.11Å
195T97.9Very high95.4Very high112 Ų11259.3 Ų59.369%0.68733%0.331SS*.Hα-helixtrans-65.6-40.2175.4-54.90000111.9T193 N198 F199T193-T195 VanDerWaalsContact C-N 3.25Å; T193-T195 PolarHBondContact O-N 2.94Å; T195-N198 PolarHBondContact O-N 2.87Å; T195-F199 PolarHBondContact O-N 3.49Å
196E97.4Very high95.5Very high101 Ų10160.7 Ų60.747%0.47234%0.338SS..Hα-helixtrans-67.8-38.4175.4-70.7166.6135.400111.6A192 T193 F199 L200A192-E196 WeakPolarHBondContact CA-OE2 3.34Å; A192-E196 HydrophobicContact CB-CB 3.84Å; T193-E196 WeakPolarHBondContact CB-OE2 3.17Å; T193-E196 WeakPolarHBondContact CG2-OE2 3.22Å; T193-E196 PolarHBondContact N-OE2 2.93Å; T193-E196 WeakPolarHBondContact O-CB 3.31Å; T193-E196 PolarHBondContact O-N 3.38Å; T193-E196 VanDerWaalsContact OG1-CG 3.31Å; T193-E196 WeakPolarHBondContact OG1-CG 3.5Å; T193-E196 PolarHBondContact OG1-N 3.08Å; T193-E196 PolarHBondContact OG1-OE2 2.87Å; E196-F199 WeakPolarHBondContact O-CB 3.39Å; E196-F199 PolarHBondContact O-N 3.05Å; E196-L200 WeakPolarHBondContact O-CG 3.42Å; E196-L200 PolarHBondContact O-N 2.89Å
197L97.8Very high95.7Very high0 Ų059.3 Ų59.30%033%0.331CS..Hα-helixtrans-61.9-44.6173.2-65.8173000111.1L116 A192 T193 E194 F199 L200 R201 V208 E235 Y236L116-L197 HydrophobicContact CD2-CB 4.34Å; L116-L197 HydrophobicContact CD2-CD2 3.61Å; A192-L197 HydrophobicContact CB-CD2 3.69Å; A192-L197 HydrophobicContact CB-CG 3.89Å; T193-L197 WeakPolarHBondContact O-CG 3.39Å; T193-L197 PolarHBondContact O-N 3.14Å; E194-L197 PolarHBondContact O-N 3.39Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3.26Å; L197-L200 PolarHBondContact O-N 3.34Å; L197-L200 VanDerWaalsContact O-N 3.15Å; L197-R201 WeakPolarHBondContact O-CG 3.24Å; L197-R201 PolarHBondContact O-N 2.82Å; L197-V208 HydrophobicContact CD2-CG1 3.96Å; L197-E235 HydrophobicContact CD1-CB 4.03Å; L197-E235 HydrophobicContact CD1-CG 3.96Å; L197-E235 HydrophobicContact CD2-CB 4.37Å; L197-Y236 HydrophobicContact CD1-CD1 4.04Å; L197-Y236 HydrophobicContact CD1-CE1 3.93Å
198N97.9Very high96Very high76 Ų7656.9 Ų56.941%0.40632%0.318SS..Hα-helixtrans-63.4-36.9175.2-74.5-43.3000112.9E194 T195 R201 S202E194-N198 WeakPolarHBondContact O-CB 3.39Å; E194-N198 PolarHBondContact O-N 3.4Å; E194-N198 PolarHBondContact O-ND2 2.93Å; E194-N198 PolarHBondContact OE1-ND2 3.24Å; T195-N198 PolarHBondContact O-N 2.87Å; N198-R201 PolarHBondContact O-N 3.48Å; N198-R201 PolarHBondContact OD1-NH1 2.89Å; N198-S202 WeakPolarHBondContact O-CB 3.42Å; N198-S202 PolarHBondContact O-N 3.16Å
199F98Very high96.3Very high114 Ų11456.4 Ų56.450%0.531%0.313SS..Hα-helixtrans-59.6-48170.5171.9-106.2000111.1T195 E196 L197 R201 S202 L203T195-F199 PolarHBondContact O-N 3.49Å; E196-F199 WeakPolarHBondContact O-CB 3.39Å; E196-F199 PolarHBondContact O-N 3.05Å; L197-F199 VanDerWaalsContact C-N 3.32Å; L197-F199 PolarHBondContact O-N 3.26Å; F199-R201 PolarHBondContact O-N 3.41Å; F199-S202 WeakPolarHBondContact O-CB 3.33Å; F199-S202 PolarHBondContact O-N 3.2Å; F199-S202 VanDerWaalsContact O-N 3.14Å; F199-S202 PolarHBondContact O-OG 3.03Å; F199-L203 HydrophobicContact CD1-CD1 4.35Å; F199-L203 HydrophobicContact CE1-CD1 3.7Å; F199-L203 HydrophobicContact CE2-CD1 4.31Å; F199-L203 HydrophobicContact CE2-CG 4.44Å; F199-L203 HydrophobicContact CZ-CD1 3.68Å; F199-L203 HydrophobicContact CZ-CG 4.29Å; F199-L203 PolarHBondContact O-N 3.3Å
200L98Very high96.5Very high4 Ų453.3 Ų53.32%0.02129%0.291CS..Hα-helixtrans-63.1-40177.3-64.1177.9000112.8L116 I134 A184 I186 E196 L197 S202 L203 K204 A205 V208L116-L200 HydrophobicContact CD1-CB 3.72Å; L116-L200 HydrophobicContact CD1-CD1 4.37Å; I134-L200 HydrophobicContact CD1-CD2 4.38Å; I134-L200 HydrophobicContact CG1-CD2 4.31Å; A184-L200 HydrophobicContact CB-CD1 4.25Å; A184-L200 HydrophobicContact CB-CD2 3.93Å; I186-L200 HydrophobicContact CG2-CD1 4.14Å; E196-L200 WeakPolarHBondContact O-CG 3.42Å; E196-L200 PolarHBondContact O-N 2.89Å; L197-L200 PolarHBondContact O-N 3.34Å; L197-L200 VanDerWaalsContact O-N 3.15Å; L200-S202 VanDerWaalsContact C-N 3.3Å; L200-S202 PolarHBondContact O-N 3.26Å; L200-L203 CarbonylContact O-C 3.59Å; L200-L203 WeakPolarHBondContact O-CB 3.19Å; L200-L203 PolarHBondContact O-N 2.8Å; L200-L203 VanDerWaalsContact O-N 3.15Å; L200-K204 PolarHBondContact O-N 2.94Å; L200-A205 HydrophobicContact CB-CB 4.26Å; L200-A205 WeakPolarHBondContact O-CB 3.35Å; L200-A205 PolarHBondContact O-N 3.34Å; L200-A205 VanDerWaalsContact O-N 3.1Å; L200-V208 HydrophobicContact CD1-CB 3.93Å; L200-V208 HydrophobicContact CD1-CG2 3.52Å
201R97.7Very high96.5Very high59 Ų5950.1 Ų50.122%0.22327%0.265CS..Hα-helixtrans-60.5-39.4172.7-70.3179-170.41160.3111.8L116 E194 L197 N198 F199 L203 K204L116-R201 HydrophobicContact CB-CG 4.15Å; L116-R201 PolarHBondContact O-NE 2.91Å; E194-R201 IonicContact OE1-NH1 3.69Å; E194-R201 PolarHBondContact OE1-NH1 2.89Å; L197-R201 WeakPolarHBondContact O-CG 3.24Å; L197-R201 PolarHBondContact O-N 2.82Å; N198-R201 PolarHBondContact O-N 3.48Å; N198-R201 PolarHBondContact OD1-NH1 2.89Å; F199-R201 PolarHBondContact O-N 3.41Å; R201-L203 PolarHBondContact O-N 2.8Å; R201-K204 WeakPolarHBondContact O-CA 3.36Å; R201-K204 PolarHBondContact O-N 3.31Å
202S97.8Very high96.6Very high79 Ų7948.3 Ų48.355%0.55225%0.253SS*.Hα-helixtrans-63.9-29.6177.281.10000112.7N198 F199 L200 K204N198-S202 WeakPolarHBondContact O-CB 3.42Å; N198-S202 PolarHBondContact O-N 3.16Å; F199-S202 WeakPolarHBondContact O-CB 3.33Å; F199-S202 PolarHBondContact O-N 3.2Å; F199-S202 VanDerWaalsContact O-N 3.14Å; F199-S202 PolarHBondContact O-OG 3.03Å; L200-S202 VanDerWaalsContact C-N 3.3Å; L200-S202 PolarHBondContact O-N 3.26Å; S202-K204 PolarHBondContact O-N 3.27Å
203L97.1Very high96.6Very high70 Ų7047.8 Ų47.837%0.36625%0.248SC..THydrogen-bonded Turntrans-80.96.7171.7-60.4179.7000113.6I132 I134 F199 L200 R201 A205I132-L203 HydrophobicContact CD1-CB 3.75Å; I132-L203 HydrophobicContact CD1-CD1 4.35Å; I134-L203 HydrophobicContact CD1-CD1 4.37Å; F199-L203 HydrophobicContact CD1-CD1 4.35Å; F199-L203 HydrophobicContact CE1-CD1 3.7Å; F199-L203 HydrophobicContact CE2-CD1 4.31Å; F199-L203 HydrophobicContact CE2-CG 4.44Å; F199-L203 HydrophobicContact CZ-CD1 3.68Å; F199-L203 HydrophobicContact CZ-CG 4.29Å; F199-L203 PolarHBondContact O-N 3.3Å; L200-L203 CarbonylContact O-C 3.59Å; L200-L203 WeakPolarHBondContact O-CB 3.19Å; L200-L203 PolarHBondContact O-N 2.8Å; L200-L203 VanDerWaalsContact O-N 3.15Å; R201-L203 PolarHBondContact O-N 2.8Å; L203-A205 VanDerWaalsContact C-N 3.26Å; L203-A205 PolarHBondContact O-N 3.08Å
204K97.3Very high96.5Very high155 Ų15544.1 Ų44.167%0.67423%0.226SC*.THydrogen-bonded Turntrans62.826.8-177.5-51.5-61.4-175-1790114L200 R201 S202L200-K204 PolarHBondContact O-N 2.94Å; R201-K204 WeakPolarHBondContact O-CA 3.36Å; R201-K204 PolarHBondContact O-N 3.31Å; S202-K204 PolarHBondContact O-N 3.27Å
205A98.1Very high96.3Very high5 Ų540.9 Ų40.94%0.04121%0.211CC..  trans-70.1132.6168.800000110.2L116 I132 A184 L200 L203L116-A205 WeakPolarHBondContact CB-O 3.33Å; L116-A205 HydrophobicContact CD1-CB 3.75Å; I132-A205 HydrophobicContact CD1-CB 4.31Å; A184-A205 HydrophobicContact CB-CB 3.69Å; L200-A205 HydrophobicContact CB-CB 4.26Å; L200-A205 WeakPolarHBondContact O-CB 3.35Å; L200-A205 PolarHBondContact O-N 3.34Å; L200-A205 VanDerWaalsContact O-N 3.1Å; L203-A205 VanDerWaalsContact C-N 3.26Å; L203-A205 PolarHBondContact O-N 3.08Å
206D98.5Very high96.2Very high28 Ų2835.6 Ų35.615%0.1518%0.178CC..SBendtrans-94.4-22.2-179.7-62.4-65.1000112.1L116 S117 Y120 M126 K129 G181 I182L116-D206 PolarHBondContact N-O 3.49Å; S117-D206 PolarHBondContact N-O 3.36Å; Y120-D206 HydrophobicContact CE2-CB 3.61Å; M126-D206 HydrophobicContact SD-CB 3.95Å; K129-D206 IonicContact NZ-OD2 3.32Å; G181-D206 WeakPolarHBondContact CA-OD2 3.42Å; I182-D206 PolarHBondContact N-OD2 3.34Å; I182-D206 PolarHBondContact O-N 3.43Å
207A98.1Very high96Very high0 Ų032.2 Ų32.20%017%0.165CC..EExtended strand (participates in β ladder)trans-147.1156.7172.900000112.1A113 G114 M126 I182 Y183 A184 L232A113-A207 HydrophobicContact CB-CB 3.98Å; G114-A207 CarbonylContact O-C 3.53Å; G114-A207 VanDerWaalsContact O-CA 3.26Å; G114-A207 WeakPolarHBondContact O-CA 3.47Å; M126-A207 HydrophobicContact CE-CB 3.6Å; M126-A207 HydrophobicContact SD-CB 3.73Å; I182-A207 PolarHBondContact O-N 2.81Å; Y183-A207 HydrophobicContact CD2-CB 4.45Å; A184-A207 PolarHBondContact N-O 2.89Å; A207-L232 HydrophobicContact CB-CD2 3.72Å
208V97.8Very high95.7Very high9 Ų932.2 Ų32.26%0.05517%0.165CC..EExtended strand (participates in β ladder)trans-122.4134.7175.8600000111.5A113 G114 L116 A184 I186 L197 L200A113-V208 CarbonylContact C-O 3.59Å; A113-V208 VanDerWaalsContact CA-O 3.3Å; A113-V208 WeakPolarHBondContact CA-O 3.27Å; A113-V208 WeakPolarHBondContact CB-O 3.18Å; G114-V208 PolarHBondContact N-O 2.88Å; G114-V208 PolarHBondContact O-N 3.41Å; L116-V208 HydrophobicContact CD1-CB 4.06Å; L116-V208 HydrophobicContact CD1-CG1 4.42Å; L116-V208 HydrophobicContact CD2-CB 4.44Å; L116-V208 HydrophobicContact CD2-CG1 3.92Å; L116-V208 HydrophobicContact CG-CB 4.28Å; L116-V208 HydrophobicContact CG-CG1 4.13Å; A184-V208 CarbonylContact O-C 3.5Å; A184-V208 WeakPolarHBondContact O-CA 3.4Å; I186-V208 HydrophobicContact CD1-CG2 4.2Å; I186-V208 HydrophobicContact CG1-CG2 4.12Å; I186-V208 HydrophobicContact CG2-CG2 4.14Å; L197-V208 HydrophobicContact CD2-CG1 3.96Å; L200-V208 HydrophobicContact CD1-CB 3.93Å; L200-V208 HydrophobicContact CD1-CG2 3.52Å
209G95.7Very high95.5Very high4 Ų428.6 Ų28.64%0.04115%0.145CC..EExtended strand (participates in β ladder)trans-147.8-172.8171.300000112.4Y183 A184 M185 I186Y183-G209 VanDerWaalsContact OH-C 3.25Å; Y183-G209 WeakPolarHBondContact OH-CA 3.32Å; A184-G209 PolarHBondContact O-N 3.24Å; M185-G209 WeakPolarHBondContact CA-O 3.37Å; I186-G209 WeakPolarHBondContact CG1-O 3.39Å; I186-G209 PolarHBondContact N-O 3Å
210M93.1Very high95.3Very high29 Ų2925.8 Ų25.814%0.14313%0.132CC..SBendtrans-121.713-171.6-53.5177.4-177.400113F84 Y183 M185 I186 A190 C191 L240F84-M210 HydrophobicContact CD1-CB 4.35Å; F84-M210 HydrophobicContact CE1-CB 3.62Å; F84-M210 HydrophobicContact CE1-SD 4.32Å; F84-M210 HydrophobicContact CZ-CB 4.31Å; F84-M210 HydrophobicContact CZ-SD 4.32Å; Y183-M210 PolarHBondContact OH-N 3.05Å; M185-M210 WeakPolarHBondContact CE-O 3.5Å; I186-M210 HydrophobicContact CD1-CE 4.39Å; I186-M210 HydrophobicContact CG1-CG 4.09Å; I186-M210 WeakPolarHBondContact O-CA 3.47Å; A190-M210 WeakPolarHBondContact O-CE 3.22Å; C191-M210 HydrophobicContact CB-CE 4.46Å; M210-L240 HydrophobicContact CE-CD1 3.91Å; M210-L240 HydrophobicContact SD-CD1 4.18Å
211G90.9Very high94.9Very high5 Ų527.1 Ų27.15%0.05214%0.139CC..SBendtrans-144.4-169.8-174.800000113.8Y183 M185 C213Y183-G211 VanDerWaalsContact CE1-O 3.23Å; Y183-G211 WeakPolarHBondContact CE1-O 3.32Å; Y183-G211 PolarHBondContact OH-N 3.36Å; Y183-G211 PolarHBondContact OH-O 2.98Å; M185-G211 VanDerWaalsContact SD-O 3.35Å; G211-C213 VanDerWaalsContact C-N 3.3Å; G211-C213 PolarHBondContact O-N 2.92Å
212I93.9Very high94.5Very high0 Ų025.2 Ų25.20%013%0.134CC..SBendtrans67.8-34.1172.973.3159000118.5L109 T111 V128 Y183 H214 D215 A216 A228L109-I212 HydrophobicContact CB-CB 4.43Å; L109-I212 HydrophobicContact CB-CG2 4.17Å; L109-I212 HydrophobicContact CD1-CB 4.2Å; T111-I212 HydrophobicContact CG2-CD1 4.15Å; T111-I212 HydrophobicContact CG2-CG2 4.16Å; V128-I212 HydrophobicContact CG2-CD1 4.19Å; Y183-I212 HydrophobicContact CD1-CD1 3.85Å; Y183-I212 HydrophobicContact CD1-CG1 3.92Å; Y183-I212 HydrophobicContact CE1-CD1 3.76Å; Y183-I212 HydrophobicContact CE1-CG1 3.37Å; Y183-I212 HydrophobicContact CG-CD1 4.24Å; I212-H214 PolarHBondContact O-N 2.86Å; I212-D215 WeakPolarHBondContact O-CB 3.21Å; I212-D215 PolarHBondContact O-N 3.17Å; I212-D215 VanDerWaalsContact O-N 3.17Å; I212-A216 VanDerWaalsContact O-CB 3.32Å; I212-A216 WeakPolarHBondContact O-CB 3.43Å; I212-A216 PolarHBondContact O-N 3.4Å; I212-A228 HydrophobicContact CD1-CB 4.05Å
213C94.5Very high94.2Very high0 Ų024 Ų240%014%0.135CC..Hα-helixtrans-66.4-37.3-173.7-63.50000113Y133 M185 G211 D215 A216 V217Y133-C213 HydrophobicContact CD1-CB 4.1Å; Y133-C213 HydrophobicContact CD2-CB 3.59Å; Y133-C213 HydrophobicContact CE2-CB 4.24Å; Y133-C213 HydrophobicContact CG-CB 3.54Å; M185-C213 HydrophobicContact CB-CB 4.03Å; M185-C213 WeakPolarHBondContact CB-SG 3.31Å; M185-C213 HydrophobicContact CG-CB 4.48Å; M185-C213 HydrophobicContact SD-CB 3.67Å; G211-C213 VanDerWaalsContact C-N 3.3Å; G211-C213 PolarHBondContact O-N 2.92Å; C213-D215 VanDerWaalsContact C-N 3.35Å; C213-A216 PolarHBondContact O-N 2.9Å; C213-V217 WeakPolarHBondContact O-CB 3.49Å; C213-V217 VanDerWaalsContact O-CG2 3.3Å; C213-V217 WeakPolarHBondContact O-CG2 3.22Å; C213-V217 PolarHBondContact O-N 3.08Å
214H91.8Very high94.1Very high3 Ų321 Ų211%0.01412%0.119CC..Hα-helixtrans-65.7-37.5174.448.9-85.6000112.3L89 V93 Y133 I142 M185 I212 T218L89-H214 HydrophobicContact CD2-CB 4.21Å; V93-H214 HydrophobicContact CG1-CB 4.09Å; Y133-H214 HydrophobicContact CE1-CB 4.42Å; I142-H214 HydrophobicContact CD1-CB 4.1Å; M185-H214 VanDerWaalsContact CE-ND1 3.28Å; M185-H214 WeakPolarHBondContact CE-ND1 3.43Å; I212-H214 PolarHBondContact O-N 2.86Å; H214-T218 WeakPolarHBondContact O-CB 3.33Å; H214-T218 PolarHBondContact O-N 2.9Å; H214-T218 PolarHBondContact O-OG1 2.87Å
215D94Very high94Very high6 Ų615.8 Ų15.83%0.03210%0.098CC..Hα-helixtrans-65.8-46174.8-62.1-41.9000110.7R80 I96 L109 I212 C213 T218 A219R80-D215 IonicContact NH1-OD2 2.79Å; R80-D215 PolarHBondContact NH1-OD2 3.42Å; I96-D215 HydrophobicContact CD1-CB 4.02Å; I96-D215 HydrophobicContact CG1-CB 3.95Å; L109-D215 HydrophobicContact CD1-CB 3.99Å; L109-D215 HydrophobicContact CD2-CB 3.99Å; I212-D215 WeakPolarHBondContact O-CB 3.21Å; I212-D215 PolarHBondContact O-N 3.17Å; I212-D215 VanDerWaalsContact O-N 3.17Å; C213-D215 VanDerWaalsContact C-N 3.35Å; D215-T218 PolarHBondContact O-N 3.5Å; D215-A219 VanDerWaalsContact O-CB 3.29Å; D215-A219 WeakPolarHBondContact O-CB 3.35Å; D215-A219 PolarHBondContact O-N 2.99Å
216A95.1Very high94Very high0 Ų015.6 Ų15.60%010%0.097CC..Hα-helixtrans-61.5-49.4179.800000112L109 L156 Y157 I212 C213 T218 A219 Y220 V226L109-A216 HydrophobicContact CD1-CB 3.83Å; L156-A216 HydrophobicContact CD2-CB 3.87Å; Y157-A216 HydrophobicContact CE1-CB 4.49Å; Y157-A216 WeakPolarHBondContact OH-CB 3.4Å; I212-A216 VanDerWaalsContact O-CB 3.32Å; I212-A216 WeakPolarHBondContact O-CB 3.43Å; I212-A216 PolarHBondContact O-N 3.4Å; C213-A216 PolarHBondContact O-N 2.9Å; A216-T218 VanDerWaalsContact C-N 3.35Å; A216-T218 PolarHBondContact O-N 3.26Å; A216-A219 PolarHBondContact O-N 3.46Å; A216-Y220 WeakPolarHBondContact O-CB 3.41Å; A216-Y220 PolarHBondContact O-N 2.88Å; A216-V226 HydrophobicContact CB-CG1 4.05Å
217V92.7Very high94Very high31 Ų3114.2 Ų14.219%0.1889%0.089CC..Hα-helixtrans-63.1-41.9176.6172.10000110.9L156 C213 A219 Y220 N221L156-V217 HydrophobicContact CD1-CG2 4.13Å; C213-V217 WeakPolarHBondContact O-CB 3.49Å; C213-V217 VanDerWaalsContact O-CG2 3.3Å; C213-V217 WeakPolarHBondContact O-CG2 3.22Å; C213-V217 PolarHBondContact O-N 3.08Å; V217-A219 PolarHBondContact O-N 3.46Å; V217-Y220 PolarHBondContact O-N 3.26Å; V217-N221 WeakPolarHBondContact O-CB 3.31Å; V217-N221 VanDerWaalsContact O-CG 3.24Å; V217-N221 PolarHBondContact O-N 3.36Å
218T91.3Very high94Very high0 Ų014.2 Ų14.20%09%0.089CC..Hα-helixtrans-63.5-44.4177.4-58.50000111.6V93 I96 I97 I142 M144 H214 D215 A216 N221 C222V93-T218 HydrophobicContact CB-CG2 4.01Å; V93-T218 WeakPolarHBondContact CG1-OG1 3.29Å; V93-T218 HydrophobicContact CG2-CG2 4.11Å; I96-T218 HydrophobicContact CB-CG2 4.21Å; I96-T218 HydrophobicContact CG2-CG2 3.83Å; I97-T218 HydrophobicContact CG1-CG2 4Å; I142-T218 WeakPolarHBondContact CD1-OG1 3.43Å; M144-T218 HydrophobicContact CE-CG2 3.9Å; M144-T218 HydrophobicContact SD-CG2 4.5Å; H214-T218 WeakPolarHBondContact O-CB 3.33Å; H214-T218 PolarHBondContact O-N 2.9Å; H214-T218 PolarHBondContact O-OG1 2.87Å; D215-T218 PolarHBondContact O-N 3.5Å; A216-T218 VanDerWaalsContact C-N 3.35Å; A216-T218 PolarHBondContact O-N 3.26Å; T218-N221 PolarHBondContact O-N 2.94Å; T218-C222 VanDerWaalsContact O-CB 3.26Å; T218-C222 WeakPolarHBondContact O-CB 3.37Å; T218-C222 PolarHBondContact O-N 3.33Å; T218-C222 PolarHBondContact O-SG 2.89Å
219A93.9Very high93.9Very high0 Ų013.8 Ų13.80%09%0.087CC..Hα-helixtrans-61.9-47179.300000111.1I96 V107 D215 A216 V217 N221 C222 G223 M224 V226I96-A219 HydrophobicContact CG2-CB 3.8Å; V107-A219 HydrophobicContact CG2-CB 4.39Å; D215-A219 VanDerWaalsContact O-CB 3.29Å; D215-A219 WeakPolarHBondContact O-CB 3.35Å; D215-A219 PolarHBondContact O-N 2.99Å; A216-A219 PolarHBondContact O-N 3.46Å; V217-A219 PolarHBondContact O-N 3.46Å; A219-N221 PolarHBondContact O-N 3.01Å; A219-C222 CarbonylContact O-C 3.51Å; A219-C222 WeakPolarHBondContact O-CA 3.48Å; A219-C222 WeakPolarHBondContact O-CB 3.35Å; A219-C222 PolarHBondContact O-N 2.59Å; A219-C222 VanDerWaalsContact O-N 3.1Å; A219-G223 PolarHBondContact O-N 3.19Å; A219-M224 HydrophobicContact CB-CB 4.31Å; A219-M224 HydrophobicContact CB-CE 3.69Å; A219-M224 WeakPolarHBondContact O-CB 3.25Å; A219-M224 PolarHBondContact O-N 2.73Å; A219-V226 HydrophobicContact CB-CG2 3.59Å
220Y93.2Very high94Very high54 Ų5413.6 Ų13.621%0.2129%0.085CC..Hα-helixtrans-57.9-49.3175.4178.4-93.8000112.1V152 S153 G154 L156 A216 V217 C222 G223V152-Y220 HydrophobicContact CB-CE1 4.36Å; V152-Y220 HydrophobicContact CG1-CE1 4.3Å; V152-Y220 HydrophobicContact CG2-CD1 4.23Å; V152-Y220 HydrophobicContact CG2-CE1 4.23Å; S153-Y220 PolarHBondContact N-OH 3.15Å; G154-Y220 PolarHBondContact N-OH 3.43Å; L156-Y220 HydrophobicContact CB-CD2 4.38Å; L156-Y220 HydrophobicContact CD1-CG 4.32Å; L156-Y220 HydrophobicContact CG-CD2 4.11Å; L156-Y220 HydrophobicContact CG-CG 4.13Å; A216-Y220 WeakPolarHBondContact O-CB 3.41Å; A216-Y220 PolarHBondContact O-N 2.88Å; V217-Y220 PolarHBondContact O-N 3.26Å; Y220-C222 PolarHBondContact O-N 3.12Å; Y220-G223 WeakPolarHBondContact O-CA 3.37Å; Y220-G223 PolarHBondContact O-N 3.21Å
221N89.9Confident94.1Very high33 Ų3312.2 Ų12.218%0.1768%0.078CC..Hα-helixtrans-66.1-21178.2-69.5-10.2000112.9R148 A150 V217 T218 A219 G223R148-N221 WeakPolarHBondContact O-CB 3.37Å; R148-N221 PolarHBondContact O-ND2 3.01Å; A150-N221 PolarHBondContact O-OD1 3.46Å; V217-N221 WeakPolarHBondContact O-CB 3.31Å; V217-N221 VanDerWaalsContact O-CG 3.24Å; V217-N221 PolarHBondContact O-N 3.36Å; T218-N221 PolarHBondContact O-N 2.94Å; A219-N221 PolarHBondContact O-N 3.01Å; N221-G223 VanDerWaalsContact C-N 3.26Å
222C89.8Confident94.4Very high18 Ų1812 Ų1212%0.1228%0.076CC..THydrogen-bonded Turntrans-853.4172.3-70.90000113.1Q100 T218 A219 Y220 M224Q100-C222 HydrophobicContact CB-CB 4.16Å; Q100-C222 HydrophobicContact CG-CB 3.96Å; T218-C222 VanDerWaalsContact O-CB 3.26Å; T218-C222 WeakPolarHBondContact O-CB 3.37Å; T218-C222 PolarHBondContact O-N 3.33Å; T218-C222 PolarHBondContact O-SG 2.89Å; A219-C222 CarbonylContact O-C 3.51Å; A219-C222 WeakPolarHBondContact O-CA 3.48Å; A219-C222 WeakPolarHBondContact O-CB 3.35Å; A219-C222 PolarHBondContact O-N 2.59Å; A219-C222 VanDerWaalsContact O-N 3.1Å; Y220-C222 PolarHBondContact O-N 3.12Å; C222-M224 HydrophobicContact CB-CE 4.16Å
223G91.2Very high94.4Very high55 Ų5512 Ų1257%0.5678%0.076SC*.THydrogen-bonded Turntrans73.625.6-179.600000113.7A219 Y220 N221A219-G223 PolarHBondContact O-N 3.19Å; Y220-G223 WeakPolarHBondContact O-CA 3.37Å; Y220-G223 PolarHBondContact O-N 3.21Å; N221-G223 VanDerWaalsContact C-N 3.26Å
224M94.5Very high94.4Very high5 Ų512.5 Ų12.53%0.0258%0.078CC..  trans-98.6150.4174.4-61.7-172.9-6900111.2I96 Q100 I104 R105 V107 A219 C222I96-M224 HydrophobicContact CG2-CE 3.5Å; Q100-M224 HydrophobicContact CB-CE 3.92Å; Q100-M224 HydrophobicContact CB-CG 4.47Å; Q100-M224 HydrophobicContact CB-SD 3.79Å; Q100-M224 HydrophobicContact CG-CG 4.49Å; Q100-M224 HydrophobicContact CG-SD 4.41Å; I104-M224 HydrophobicContact CG2-SD 4.34Å; I104-M224 VanDerWaalsContact O-SD 3.37Å; R105-M224 CarbonylContact O-C 3.46Å; R105-M224 VanDerWaalsContact O-CA 3.28Å; R105-M224 WeakPolarHBondContact O-CA 3.32Å; R105-M224 WeakPolarHBondContact O-CB 2.97Å; V107-M224 HydrophobicContact CG2-CE 3.77Å; V107-M224 HydrophobicContact CG2-SD 3.75Å; A219-M224 HydrophobicContact CB-CB 4.31Å; A219-M224 HydrophobicContact CB-CE 3.69Å; A219-M224 WeakPolarHBondContact O-CB 3.25Å; A219-M224 PolarHBondContact O-N 2.73Å; C222-M224 HydrophobicContact CB-CE 4.16Å
225D96.7Very high94.4Very high47 Ų4714.5 Ų14.525%0.2519%0.088SC..EExtended strand (participates in β ladder)trans-79.4134.9171.5-81.36.5000110.3R105 T106 V107 K158 L161R105-D225 PolarHBondContact O-N 2.87Å; T106-D225 CarbonylContact C-O 3.48Å; T106-D225 VanDerWaalsContact CA-O 3.31Å; T106-D225 WeakPolarHBondContact CA-O 3.35Å; T106-D225 HydrophobicContact CG2-CB 4.31Å; V107-D225 PolarHBondContact N-O 3.1Å; K158-D225 WeakPolarHBondContact CE-OD1 3.34Å; K158-D225 IonicContact NZ-OD1 2.78Å; K158-D225 PolarHBondContact NZ-OD1 2.99Å; K158-D225 IonicContact NZ-OD2 3.98Å; K158-D225 PolarHBondContact NZ-OD2 2.79Å; L161-D225 HydrophobicContact CD1-CB 3.81Å
226V97.6Very high94.3Very high0 Ų018.6 Ų18.60%010%0.103CC..EExtended strand (participates in β ladder)trans-118.3130-175.3-174.30000110.2L109 L156 Y157 A216 A219L109-V226 HydrophobicContact CD1-CG1 3.99Å; L109-V226 HydrophobicContact CG-CG1 4.49Å; L156-V226 HydrophobicContact CD2-CB 3.95Å; L156-V226 HydrophobicContact CD2-CG1 4.06Å; L156-V226 HydrophobicContact CD2-CG2 4.24Å; Y157-V226 HydrophobicContact CD1-CG1 4.17Å; Y157-V226 HydrophobicContact CE1-CG1 3.83Å; A216-V226 HydrophobicContact CB-CG1 4.05Å; A219-V226 HydrophobicContact CB-CG2 3.59Å
227I98Very high93.9Very high0 Ų018.8 Ų18.80%011%0.105CC..EExtended strand (participates in β ladder)trans-126138.7165.3-172.666.7000107.8V107 F108 L109 L127 L161 R162 F165 F266V107-I227 PolarHBondContact O-N 3.5Å; F108-I227 CarbonylContact C-O 3.57Å; F108-I227 WeakPolarHBondContact CA-O 3.38Å; F108-I227 HydrophobicContact CB-CG2 3.84Å; F108-I227 HydrophobicContact CD2-CG2 3.78Å; F108-I227 HydrophobicContact CG-CG2 4.11Å; L109-I227 PolarHBondContact N-O 3.32Å; L127-I227 HydrophobicContact CD1-CD1 3.51Å; L127-I227 HydrophobicContact CD1-CG1 3.95Å; L127-I227 HydrophobicContact CD2-CD1 4.35Å; L127-I227 HydrophobicContact CG-CD1 4.22Å; L161-I227 HydrophobicContact CB-CB 4.45Å; L161-I227 HydrophobicContact CB-CD1 4.11Å; R162-I227 HydrophobicContact CG-CD1 3.85Å; F165-I227 HydrophobicContact CD2-CG1 4.37Å; I227-F266 HydrophobicContact CB-CZ 4.36Å; I227-F266 HydrophobicContact CG1-CZ 4.41Å; I227-F266 HydrophobicContact CG2-CE1 3.66Å; I227-F266 HydrophobicContact CG2-CZ 3.82Å
228A97.9Very high93.6Very high0 Ų022.1 Ų22.10%012%0.117CC..EExtended strand (participates in β ladder)trans-140.4142.8-179.700000111.5L109 L127 V128 Y157 I212L109-A228 HydrophobicContact CB-CB 3.91Å; L109-A228 CarbonylContact O-C 3.58Å; L109-A228 WeakPolarHBondContact O-CA 3.46Å; L127-A228 WeakPolarHBondContact CD1-O 3.42Å; V128-A228 HydrophobicContact CB-CB 3.98Å; V128-A228 HydrophobicContact CG2-CB 3.81Å; V128-A228 PolarHBondContact N-O 2.79Å; Y157-A228 HydrophobicContact CD1-CB 4.43Å; Y157-A228 HydrophobicContact CE1-CB 3.74Å; I212-A228 HydrophobicContact CD1-CB 4.05Å
229A97.3Very high92.9Very high0 Ų023.7 Ų23.70%012%0.123CC..EExtended strand (participates in β ladder)trans-138.6142.7178.700000110.8F108 L109 T110 T111 I125 M126 L127 F165 L259F108-A229 HydrophobicContact CE2-CB 3.95Å; F108-A229 HydrophobicContact CZ-CB 4.4Å; L109-A229 PolarHBondContact O-N 2.76Å; T110-A229 CarbonylContact C-O 3.56Å; T110-A229 VanDerWaalsContact CA-O 3.31Å; T110-A229 WeakPolarHBondContact CA-O 3.4Å; T111-A229 PolarHBondContact N-O 2.88Å; I125-A229 HydrophobicContact CG2-CB 4.43Å; M126-A229 CarbonylContact O-C 3.57Å; M126-A229 VanDerWaalsContact O-CA 3.32Å; M126-A229 WeakPolarHBondContact O-CA 3.3Å; L127-A229 HydrophobicContact CD1-CB 4.29Å; F165-A229 HydrophobicContact CZ-CB 4.26Å; A229-L259 HydrophobicContact CB-CD1 3.6Å; A229-L259 HydrophobicContact CB-CD2 4.2Å
230A96.6Very high92.3Very high0 Ų028 Ų280%015%0.146CC..EExtended strand (participates in β ladder)trans-118.4135.4177.800000110.6T111 A113 I125 M126 L232T111-A230 HydrophobicContact CG2-CB 3.71Å; T111-A230 CarbonylContact O-C 3.52Å; T111-A230 WeakPolarHBondContact O-CA 3.3Å; A113-A230 HydrophobicContact CB-CB 3.82Å; I125-A230 CarbonylContact C-O 3.49Å; I125-A230 WeakPolarHBondContact CA-O 3.38Å; M126-A230 PolarHBondContact N-O 3.14Å; M126-A230 PolarHBondContact O-N 3.28Å; A230-L232 HydrophobicContact CB-CD2 4.39Å
231V95.7Very high91.6Very high0 Ų029.6 Ų29.60%016%0.155CC..EExtended strand (participates in β ladder)trans-85127.7162.1176.80000107.7T29 T111 M112 A113 I125 L252 L259T29-V231 HydrophobicContact CG2-CB 4.28Å; T29-V231 HydrophobicContact CG2-CG2 3.89Å; T111-V231 PolarHBondContact O-N 2.95Å; M112-V231 WeakPolarHBondContact CA-O 3.34Å; M112-V231 HydrophobicContact CE-CB 3.93Å; M112-V231 HydrophobicContact CE-CG1 3.68Å; M112-V231 HydrophobicContact SD-CB 3.68Å; M112-V231 HydrophobicContact SD-CG1 4Å; A113-V231 PolarHBondContact N-O 3.14Å; I125-V231 HydrophobicContact CG1-CG2 4.45Å; V231-L252 HydrophobicContact CG1-CD2 4.05Å; V231-L259 HydrophobicContact CG2-CB 4.31Å; V231-L259 HydrophobicContact CG2-CD2 3.83Å
232L96.3Very high91.1Very high0 Ų037.3 Ų37.30%019%0.187CC..EExtended strand (participates in β ladder)trans-89.1120.4-172.1-61.8-174.3000111.8A113 K115 Y120 I122 G123 D124 M126 A207 A230 L252A113-L232 HydrophobicContact CB-CD2 4.18Å; A113-L232 CarbonylContact O-C 3.46Å; A113-L232 WeakPolarHBondContact O-CA 3.3Å; K115-L232 HydrophobicContact CB-CB 4.22Å; K115-L232 HydrophobicContact CB-CD1 4.22Å; Y120-L232 HydrophobicContact CD2-CD1 3.32Å; Y120-L232 HydrophobicContact CE2-CD1 4.12Å; Y120-L232 HydrophobicContact CG-CD1 3.75Å; I122-L232 CarbonylContact C-O 3.55Å; I122-L232 WeakPolarHBondContact CA-O 3.16Å; G123-L232 PolarHBondContact N-O 3.16Å; D124-L232 HydrophobicContact CB-CD1 4.16Å; D124-L232 WeakPolarHBondContact O-CB 3.26Å; D124-L232 WeakPolarHBondContact O-CG 3.49Å; D124-L232 PolarHBondContact O-N 3.4Å; M126-L232 HydrophobicContact CB-CD1 4.07Å; M126-L232 HydrophobicContact CB-CD2 4Å; M126-L232 HydrophobicContact CB-CG 4.12Å; A207-L232 HydrophobicContact CB-CD2 3.72Å; A230-L232 HydrophobicContact CB-CD2 4.39Å; L232-L252 VanDerWaalsContact O-CD2 3.22Å; L232-L252 WeakPolarHBondContact O-CD2 2.96Å
233G95.1Very high90.7Very high0 Ų045 Ų450%021%0.214CC..EExtended strand (participates in β ladder)trans-102.8-167.8167.400000111.9A113 K115A113-G233 PolarHBondContact O-N 3.04Å; K115-G233 PolarHBondContact N-O 2.85Å
234D94.4Very high90.5Very high11 Ų1144 Ų446%0.05920%0.196CC..  trans-65.6146.4172.870.9105.4000112G114 I122 Y236 G237 K238 Y239G114-D234 VanDerWaalsContact CA-O 3.3Å; G114-D234 WeakPolarHBondContact CA-O 3.48Å; I122-D234 HydrophobicContact CD1-CB 4.1Å; D234-Y236 PolarHBondContact O-N 3.37Å; D234-Y236 WeakPolarHBondContact OD1-CB 3.11Å; D234-Y236 PolarHBondContact OD1-N 3.27Å; D234-G237 PolarHBondContact O-N 3.19Å; D234-G237 VanDerWaalsContact O-N 3.11Å; D234-G237 PolarHBondContact OD1-N 3.08Å; D234-G237 VanDerWaalsContact OD1-N 3.08Å; D234-K238 VanDerWaalsContact CG-N 3.32Å; D234-K238 WeakPolarHBondContact OD1-CB 3.46Å; D234-K238 VanDerWaalsContact OD1-CG 3.25Å; D234-K238 WeakPolarHBondContact OD1-CG 3.48Å; D234-K238 PolarHBondContact OD1-N 2.77Å; D234-K238 WeakPolarHBondContact OD2-CB 3.44Å; D234-K238 PolarHBondContact OD2-N 2.88Å; D234-Y239 WeakPolarHBondContact O-CE1 3.49Å; D234-Y239 WeakPolarHBondContact OD2-CD1 3.37Å; D234-Y239 PolarHBondContact OD2-N 3.28Å
235E91.2Very high90.4Very high45 Ų4548 Ų4821%0.2122%0.218CC..THydrogen-bonded Turntrans-58.9-26.7-179.758.2-88.4-148.400113.7K115 L116 L197 G237K115-E235 VanDerWaalsContact O-CB 3.29Å; K115-E235 WeakPolarHBondContact O-CB 3.31Å; L116-E235 HydrophobicContact CD2-CB 4.45Å; L197-E235 HydrophobicContact CD1-CB 4.03Å; L197-E235 HydrophobicContact CD1-CG 3.96Å; L197-E235 HydrophobicContact CD2-CB 4.37Å; E235-G237 VanDerWaalsContact C-N 3.31Å
236Y91.6Very high90.1Very high92 Ų9253.5 Ų53.536%0.36124%0.236SC..THydrogen-bonded Turntrans-86.7-0.2-178.6-53.6-75.2000113.4C191 E194 L197 D234 K238C191-Y236 WeakPolarHBondContact CB-O 3.19Å; C191-Y236 PolarHBondContact SG-O 3.32Å; C191-Y236 VanDerWaalsContact SG-O 3.41Å; E194-Y236 PolarHBondContact OE2-OH 3.11Å; E194-Y236 VanDerWaalsContact OE2-OH 3.11Å; L197-Y236 HydrophobicContact CD1-CD1 4.04Å; L197-Y236 HydrophobicContact CD1-CE1 3.93Å; D234-Y236 PolarHBondContact O-N 3.37Å; D234-Y236 WeakPolarHBondContact OD1-CB 3.11Å; D234-Y236 PolarHBondContact OD1-N 3.27Å; Y236-K238 VanDerWaalsContact C-N 3.3Å; Y236-K238 PolarHBondContact O-N 2.97Å
237G87.5Confident89.9Confident4 Ų459.3 Ų59.34%0.04127%0.267CS..  trans66.426.9178.700000114D234 E235 Y239 L240 Q241D234-G237 PolarHBondContact O-N 3.19Å; D234-G237 VanDerWaalsContact O-N 3.11Å; D234-G237 PolarHBondContact OD1-N 3.08Å; D234-G237 VanDerWaalsContact OD1-N 3.08Å; E235-G237 VanDerWaalsContact C-N 3.31Å; G237-Y239 PolarHBondContact O-N 2.87Å; G237-L240 VanDerWaalsContact O-CB 3.31Å; G237-L240 WeakPolarHBondContact O-CB 3.36Å; G237-L240 PolarHBondContact O-N 3.27Å; G237-Q241 PolarHBondContact O-N 2.85Å
238K85.4Confident89.6Confident100 Ų10060.5 Ų60.544%0.43527%0.274SS..THydrogen-bonded Turntrans-58.3-30.3176.2-65.6171.2-177.4174.60111.7D234 Y236 L240 Q241 K242 R243 V244D234-K238 VanDerWaalsContact CG-N 3.32Å; D234-K238 WeakPolarHBondContact OD1-CB 3.46Å; D234-K238 VanDerWaalsContact OD1-CG 3.25Å; D234-K238 WeakPolarHBondContact OD1-CG 3.48Å; D234-K238 PolarHBondContact OD1-N 2.77Å; D234-K238 WeakPolarHBondContact OD2-CB 3.44Å; D234-K238 PolarHBondContact OD2-N 2.88Å; Y236-K238 VanDerWaalsContact C-N 3.3Å; Y236-K238 PolarHBondContact O-N 2.97Å; K238-L240 VanDerWaalsContact C-N 3.29Å; K238-L240 PolarHBondContact O-N 2.81Å; K238-Q241 CarbonylContact O-C 3.56Å; K238-Q241 PolarHBondContact O-N 3.01Å; K238-Q241 VanDerWaalsContact O-N 3.08Å; K238-K242 PolarHBondContact O-N 2.96Å; K238-K242 VanDerWaalsContact O-N 3.14Å; K238-R243 HydrophobicContact CB-CB 4.32Å; K238-R243 PolarHBondContact O-N 2.81Å; K238-V244 HydrophobicContact CB-CG1 3.99Å
239Y77.4Confident89.3Confident34 Ų3466.3 Ų66.313%0.13330%0.297CS..THydrogen-bonded Turntrans-59.6-35.4171.966.7-90.9000113.1M112 A113 G114 D234 G237 Q241 K242 L252M112-Y239 HydrophobicContact CB-CD2 3.99Å; M112-Y239 HydrophobicContact CB-CE2 3.32Å; M112-Y239 HydrophobicContact CE-CD2 4.29Å; M112-Y239 HydrophobicContact CG-CD2 4.18Å; M112-Y239 HydrophobicContact CG-CE2 4Å; A113-Y239 WeakPolarHBondContact CA-OH 3.36Å; G114-Y239 PolarHBondContact N-OH 2.82Å; D234-Y239 WeakPolarHBondContact O-CE1 3.49Å; D234-Y239 WeakPolarHBondContact OD2-CD1 3.37Å; D234-Y239 PolarHBondContact OD2-N 3.28Å; G237-Y239 PolarHBondContact O-N 2.87Å; Y239-Q241 VanDerWaalsContact C-N 3.3Å; Y239-Q241 PolarHBondContact O-N 2.81Å; Y239-K242 PolarHBondContact O-N 2.75Å; Y239-L252 HydrophobicContact CG-CD1 4.46Å
240L81.2Confident89Confident91 Ų9169.6 Ų69.648%0.47631%0.313SS..THydrogen-bonded Turntrans-69.4-31.4174.7-61.6173.5000111.7M210 G237 K238 K242M210-L240 HydrophobicContact CE-CD1 3.91Å; M210-L240 HydrophobicContact SD-CD1 4.18Å; G237-L240 VanDerWaalsContact O-CB 3.31Å; G237-L240 WeakPolarHBondContact O-CB 3.36Å; G237-L240 PolarHBondContact O-N 3.27Å; K238-L240 VanDerWaalsContact C-N 3.29Å; K238-L240 PolarHBondContact O-N 2.81Å; L240-K242 VanDerWaalsContact C-N 3.3Å
241Q78.4Confident88.8Confident86 Ų8674.3 Ų74.340%0.40233%0.333SS..THydrogen-bonded Turntrans-85.5-1.8-179.2-58.617740.100112.9G237 K238 Y239 R243G237-Q241 PolarHBondContact O-N 2.85Å; K238-Q241 CarbonylContact O-C 3.56Å; K238-Q241 PolarHBondContact O-N 3.01Å; K238-Q241 VanDerWaalsContact O-N 3.08Å; Y239-Q241 VanDerWaalsContact C-N 3.3Å; Y239-Q241 PolarHBondContact O-N 2.81Å; Q241-R243 HydrophobicContact CB-CB 4.21Å; Q241-R243 HydrophobicContact CB-CG 3.9Å; Q241-R243 PolarHBondContact O-N 2.86Å
242K78.5Confident88.7Confident195 Ų19574.9 Ų74.985%0.84834%0.336SS*.THydrogen-bonded Turntrans54.335.9-169.5-55179.8179.6179.30112.4K238 Y239 L240K238-K242 PolarHBondContact O-N 2.96Å; K238-K242 VanDerWaalsContact O-N 3.14Å; Y239-K242 PolarHBondContact O-N 2.75Å; L240-K242 VanDerWaalsContact C-N 3.3Å
243R83Confident88.4Confident180 Ų18077.7 Ų77.768%0.67935%0.349SS*.  trans-11338.3-179-68.5-179.6178.1-179.6-9.3111.8K238 Q241K238-R243 HydrophobicContact CB-CB 4.32Å; K238-R243 PolarHBondContact O-N 2.81Å; Q241-R243 HydrophobicContact CB-CB 4.21Å; Q241-R243 HydrophobicContact CB-CG 3.9Å; Q241-R243 PolarHBondContact O-N 2.86Å
244V86.2Confident88.2Confident33 Ų3381.7 Ų81.720%0.237%0.367CS..SBendtrans-106.3152172.2-68.10000108.8K238 T248K238-V244 HydrophobicContact CB-CG1 3.99Å; V244-T248 HydrophobicContact CB-CG2 3.81Å; V244-T248 HydrophobicContact CG1-CG2 3.92Å; V244-T248 HydrophobicContact CG2-CG2 4.42Å
245D92.1Very high88.2Confident89 Ų8981.6 Ų81.648%0.47637%0.367SS..  trans-64164.8170.462.388.4000111.2D247 T248 Y249D245-D247 VanDerWaalsContact C-N 3.33Å; D245-D247 PolarHBondContact O-N 3.29Å; D245-D247 PolarHBondContact OD1-N 3.38Å; D245-T248 PolarHBondContact O-N 3.24Å; D245-T248 PolarHBondContact OD1-N 3.18Å; D245-T248 PolarHBondContact OD1-OG1 3.12Å; D245-T248 WeakPolarHBondContact OD2-CB 3.16Å; D245-T248 PolarHBondContact OD2-OG1 3.14Å; D245-Y249 PolarHBondContact O-N 3.2Å
246Y90.3Very high88.2Confident164 Ų16479.5 Ų79.564%0.64336%0.358SS*.Hα-helixtrans-60.8-40.7-175.6179.1-98.5000112.6Y249 Q250Y246-Y249 WeakPolarHBondContact O-CB 3.4Å; Y246-Y249 PolarHBondContact O-N 3.03Å; Y246-Q250 HydrophobicContact CD1-CG 4.15Å; Y246-Q250 HydrophobicContact CE1-CG 3.72Å; Y246-Q250 HydrophobicContact CE2-CG 4.15Å; Y246-Q250 VanDerWaalsContact CE2-NE2 3.29Å; Y246-Q250 WeakPolarHBondContact O-CG 3.47Å; Y246-Q250 PolarHBondContact O-N 3.43Å; Y246-Q250 PolarHBondContact OH-NE2 2.97Å
247D93.4Very high88.2Confident121 Ų12180.1 Ų80.165%0.64736%0.359SS*.Hα-helixtrans-68.9-44.2-176.7-63.7-25.2000110.7D245 Y249 Q250 K251D245-D247 VanDerWaalsContact C-N 3.33Å; D245-D247 PolarHBondContact O-N 3.29Å; D245-D247 PolarHBondContact OD1-N 3.38Å; D247-Y249 VanDerWaalsContact C-N 3.32Å; D247-Y249 PolarHBondContact O-N 3.49Å; D247-Q250 PolarHBondContact O-N 3.18Å; D247-K251 WeakPolarHBondContact O-CB 3.31Å; D247-K251 PolarHBondContact O-N 3.34Å
248T93Very high88.5Confident25 Ų2580.8 Ų80.815%0.15336%0.362CS..Hα-helixtrans-58.4-44.2171.9-65.30000111.2I122 V244 D245 K251 L252I122-T248 HydrophobicContact CG2-CG2 3.83Å; V244-T248 HydrophobicContact CB-CG2 3.81Å; V244-T248 HydrophobicContact CG1-CG2 3.92Å; V244-T248 HydrophobicContact CG2-CG2 4.42Å; D245-T248 PolarHBondContact O-N 3.24Å; D245-T248 PolarHBondContact OD1-N 3.18Å; D245-T248 PolarHBondContact OD1-OG1 3.12Å; D245-T248 WeakPolarHBondContact OD2-CB 3.16Å; D245-T248 PolarHBondContact OD2-OG1 3.14Å; T248-K251 PolarHBondContact O-N 3.27Å; T248-L252 HydrophobicContact CG2-CD1 4.18Å; T248-L252 HydrophobicContact CG2-CG 4.43Å; T248-L252 WeakPolarHBondContact O-CG 3.33Å; T248-L252 PolarHBondContact O-N 3.49Å
249Y91.1Very high88.9Confident123 Ų12376 Ų7648%0.48234%0.341SS..Hα-helixtrans-60.5-46.7177.2176.7-102.6000112.5D245 Y246 D247 K251 L252 K253D245-Y249 PolarHBondContact O-N 3.2Å; Y246-Y249 WeakPolarHBondContact O-CB 3.4Å; Y246-Y249 PolarHBondContact O-N 3.03Å; D247-Y249 VanDerWaalsContact C-N 3.32Å; D247-Y249 PolarHBondContact O-N 3.49Å; Y249-K251 VanDerWaalsContact C-N 3.34Å; Y249-L252 PolarHBondContact O-N 2.92Å; Y249-K253 WeakPolarHBondContact O-CB 3.29Å; Y249-K253 PolarHBondContact O-N 2.75Å; Y249-K253 VanDerWaalsContact O-N 3.08Å
250Q91.6Very high89.6Confident69 Ų6974.9 Ų74.932%0.32234%0.337SS..Hα-helixtrans-64.7-39.4177.7-66.9-57.3-27.600111.8Y246 D247 K253 Q254Y246-Q250 HydrophobicContact CD1-CG 4.15Å; Y246-Q250 HydrophobicContact CE1-CG 3.72Å; Y246-Q250 HydrophobicContact CE2-CG 4.15Å; Y246-Q250 VanDerWaalsContact CE2-NE2 3.29Å; Y246-Q250 WeakPolarHBondContact O-CG 3.47Å; Y246-Q250 PolarHBondContact O-N 3.43Å; Y246-Q250 PolarHBondContact OH-NE2 2.97Å; D247-Q250 PolarHBondContact O-N 3.18Å; Q250-K253 PolarHBondContact O-N 3.19Å; Q250-Q254 WeakPolarHBondContact O-CB 3.38Å; Q250-Q254 PolarHBondContact O-N 3.4Å
251K92.5Very high90.1Very high99 Ų9972.3 Ų72.343%0.4333%0.327SS..Hα-helixtrans-59.7-50.7176.3-169.3179-172.3-171.60111.4I122 D247 T248 Y249 K253 Q254 S255I122-K251 VanDerWaalsContact O-CD 3.29Å; I122-K251 WeakPolarHBondContact O-CD 3.41Å; I122-K251 WeakPolarHBondContact O-CE 3.35Å; I122-K251 PolarHBondContact O-NZ 3.44Å; D247-K251 WeakPolarHBondContact O-CB 3.31Å; D247-K251 PolarHBondContact O-N 3.34Å; T248-K251 PolarHBondContact O-N 3.27Å; Y249-K251 VanDerWaalsContact C-N 3.34Å; K251-K253 VanDerWaalsContact C-N 3.29Å; K251-K253 PolarHBondContact O-N 2.85Å; K251-Q254 PolarHBondContact O-N 3.33Å; K251-Q254 VanDerWaalsContact O-N 3.17Å; K251-S255 PolarHBondContact O-N 3.03Å; K251-S255 PolarHBondContact O-OG 3.25Å; K251-S255 VanDerWaalsContact O-OG 3.08Å
252L92.3Very high90.9Very high12 Ų1268.2 Ų68.26%0.06331%0.307CS..Hα-helixtrans-61.8-37.4178.6-66.8178.1000112.7M112 I122 V231 L232 Y239 T248 Y249 S256M112-L252 HydrophobicContact CE-CB 4.19Å; M112-L252 HydrophobicContact CE-CD1 4.1Å; M112-L252 HydrophobicContact CE-CD2 3.86Å; M112-L252 HydrophobicContact CE-CG 4.27Å; I122-L252 HydrophobicContact CG2-CD2 3.82Å; I122-L252 HydrophobicContact CG2-CG 4.3Å; V231-L252 HydrophobicContact CG1-CD2 4.05Å; L232-L252 VanDerWaalsContact O-CD2 3.22Å; L232-L252 WeakPolarHBondContact O-CD2 2.96Å; Y239-L252 HydrophobicContact CG-CD1 4.46Å; T248-L252 HydrophobicContact CG2-CD1 4.18Å; T248-L252 HydrophobicContact CG2-CG 4.43Å; T248-L252 WeakPolarHBondContact O-CG 3.33Å; T248-L252 PolarHBondContact O-N 3.49Å; Y249-L252 PolarHBondContact O-N 2.92Å; L252-S256 WeakPolarHBondContact O-CB 3.46Å; L252-S256 PolarHBondContact O-N 3.47Å; L252-S256 PolarHBondContact O-OG 3.22Å
253K90.5Very high91.7Very high59 Ų5959 Ų5926%0.25727%0.268SS..Hα-helixtrans-65.4-43.1174.8-170.8177.7-175.9179.30111.6D32 Y249 Q250 K251 S256 R257D32-K253 WeakPolarHBondContact OD1-CE 3.42Å; Y249-K253 WeakPolarHBondContact O-CB 3.29Å; Y249-K253 PolarHBondContact O-N 2.75Å; Y249-K253 VanDerWaalsContact O-N 3.08Å; Q250-K253 PolarHBondContact O-N 3.19Å; K251-K253 VanDerWaalsContact C-N 3.29Å; K251-K253 PolarHBondContact O-N 2.85Å; K253-S256 PolarHBondContact O-N 3.1Å; K253-R257 WeakPolarHBondContact O-CG 3.38Å; K253-R257 PolarHBondContact O-N 2.99Å; K253-R257 VanDerWaalsContact O-N 3.13Å
254Q91.6Very high92.2Very high84 Ų8453 Ų5339%0.39325%0.248SC..Hα-helixtrans-62.8-47.4175.8-173.756.64500111.1Q250 K251 S256 R257 D258Q250-Q254 WeakPolarHBondContact O-CB 3.38Å; Q250-Q254 PolarHBondContact O-N 3.4Å; K251-Q254 PolarHBondContact O-N 3.33Å; K251-Q254 VanDerWaalsContact O-N 3.17Å; Q254-S256 PolarHBondContact O-N 2.91Å; Q254-R257 WeakPolarHBondContact O-CB 3.46Å; Q254-R257 PolarHBondContact O-N 3.41Å; Q254-D258 PolarHBondContact NE2-OD1 2.67Å; Q254-D258 VanDerWaalsContact O-CG 3.24Å; Q254-D258 PolarHBondContact O-N 2.74Å
255S93Very high92.7Very high8 Ų854.5 Ų54.56%0.05625%0.252CS..Hα-helixtrans-59.9-33.5176.7-56.90000113.2G123 K251 D258 L259G123-S255 WeakPolarHBondContact CA-OG 3.33Å; G123-S255 WeakPolarHBondContact O-CB 3.26Å; G123-S255 PolarHBondContact O-OG 2.92Å; K251-S255 PolarHBondContact O-N 3.03Å; K251-S255 PolarHBondContact O-OG 3.25Å; K251-S255 VanDerWaalsContact O-OG 3.08Å; S255-D258 PolarHBondContact O-N 2.76Å; S255-L259 VanDerWaalsContact O-CB 3.32Å; S255-L259 WeakPolarHBondContact O-CB 3.41Å; S255-L259 PolarHBondContact O-N 2.93Å
256S92.4Very high92.9Very high2 Ų250.3 Ų50.31%0.01423%0.229CC..Hα-helixtrans-67.5-39.9175.2-63.30000112.1D32 L252 K253 Q254 L259 L260D32-S256 WeakPolarHBondContact OD2-CB 3.39Å; L252-S256 WeakPolarHBondContact O-CB 3.46Å; L252-S256 PolarHBondContact O-N 3.47Å; L252-S256 PolarHBondContact O-OG 3.22Å; K253-S256 PolarHBondContact O-N 3.1Å; Q254-S256 PolarHBondContact O-N 2.91Å; S256-L259 PolarHBondContact O-N 2.85Å; S256-L260 WeakPolarHBondContact O-CG 3.1Å; S256-L260 PolarHBondContact O-N 2.88Å; S256-L260 VanDerWaalsContact O-N 3.14Å
257R91.3Very high93.2Very high104 Ų10442.5 Ų42.539%0.39220%0.198SC..Hα-helixtrans-67.3-43.1172.9-68168.5175.2-177.1-11.5112.1D32 K253 Q254 L259 L260 C261D32-R257 IonicContact OD1-NE 3.49Å; K253-R257 WeakPolarHBondContact O-CG 3.38Å; K253-R257 PolarHBondContact O-N 2.99Å; K253-R257 VanDerWaalsContact O-N 3.13Å; Q254-R257 WeakPolarHBondContact O-CB 3.46Å; Q254-R257 PolarHBondContact O-N 3.41Å; R257-L259 VanDerWaalsContact C-N 3.27Å; R257-L259 PolarHBondContact O-N 2.79Å; R257-L260 PolarHBondContact O-N 3.4Å; R257-L260 VanDerWaalsContact O-N 3.15Å; R257-C261 PolarHBondContact O-N 3.11Å
258D92.9Very high93.3Very high18 Ų1838.6 Ų38.610%0.09618%0.177CC..Hα-helixtrans-60-42.9176.5-63.2-20.7000109.8I125 P176 Q254 S255 L260 C261 I262I125-D258 HydrophobicContact CD1-CB 4.46Å; P176-D258 HydrophobicContact CB-CB 4.44Å; P176-D258 HydrophobicContact CG-CB 4.22Å; Q254-D258 PolarHBondContact NE2-OD1 2.67Å; Q254-D258 VanDerWaalsContact O-CG 3.24Å; Q254-D258 PolarHBondContact O-N 2.74Å; S255-D258 PolarHBondContact O-N 2.76Å; D258-L260 VanDerWaalsContact C-N 3.34Å; D258-L260 PolarHBondContact O-N 3.44Å; D258-C261 WeakPolarHBondContact O-CB 3.45Å; D258-C261 PolarHBondContact O-N 3.15Å; D258-I262 WeakPolarHBondContact O-CG1 3.29Å; D258-I262 PolarHBondContact O-N 3.37Å
259L94.3Very high93.4Very high1 Ų140.6 Ų40.61%0.00519%0.187CC..Hα-helixtrans-59.1-41.9175.1179.558.3000112.8T29 F108 T110 I125 F165 A229 V231 S255 S256 R257 I262 G263T29-L259 HydrophobicContact CG2-CD2 4.3Å; F108-L259 HydrophobicContact CZ-CD1 4Å; F108-L259 HydrophobicContact CZ-CG 4.4Å; T110-L259 HydrophobicContact CG2-CD2 3.94Å; T110-L259 HydrophobicContact CG2-CG 4.31Å; I125-L259 HydrophobicContact CD1-CB 3.95Å; I125-L259 HydrophobicContact CD1-CD1 4.41Å; I125-L259 HydrophobicContact CG2-CD1 3.96Å; F165-L259 HydrophobicContact CZ-CD1 3.68Å; A229-L259 HydrophobicContact CB-CD1 3.6Å; A229-L259 HydrophobicContact CB-CD2 4.2Å; V231-L259 HydrophobicContact CG2-CB 4.31Å; V231-L259 HydrophobicContact CG2-CD2 3.83Å; S255-L259 VanDerWaalsContact O-CB 3.32Å; S255-L259 WeakPolarHBondContact O-CB 3.41Å; S255-L259 PolarHBondContact O-N 2.93Å; S256-L259 PolarHBondContact O-N 2.85Å; R257-L259 VanDerWaalsContact C-N 3.27Å; R257-L259 PolarHBondContact O-N 2.79Å; L259-I262 PolarHBondContact O-N 2.92Å; L259-G263 PolarHBondContact O-N 3.1Å
260L91.8Very high93.5Very high9 Ų938.2 Ų38.25%0.04718%0.182CC..Hα-helixtrans-66.2-40.5175.9-68177.7000111.8D32 L34 S256 R257 D258 G263 E264D32-L260 HydrophobicContact CB-CD1 4.22Å; L34-L260 HydrophobicContact CD1-CD2 4.22Å; S256-L260 WeakPolarHBondContact O-CG 3.1Å; S256-L260 PolarHBondContact O-N 2.88Å; S256-L260 VanDerWaalsContact O-N 3.14Å; R257-L260 PolarHBondContact O-N 3.4Å; R257-L260 VanDerWaalsContact O-N 3.15Å; D258-L260 VanDerWaalsContact C-N 3.34Å; D258-L260 PolarHBondContact O-N 3.44Å; L260-G263 CarbonylContact O-C 3.51Å; L260-G263 WeakPolarHBondContact O-CA 3.45Å; L260-G263 PolarHBondContact O-N 3.37Å; L260-E264 PolarHBondContact O-N 3.44Å
261C92.6Very high93.6Very high37 Ų3736.7 Ų36.725%0.2518%0.175CC..Hα-helixtrans-62.6-43175.5-1730000111.9V172 R257 D258 G263 E264 K265V172-C261 HydrophobicContact CG1-CB 4.36Å; V172-C261 HydrophobicContact CG2-CB 4.3Å; R257-C261 PolarHBondContact O-N 3.11Å; D258-C261 WeakPolarHBondContact O-CB 3.45Å; D258-C261 PolarHBondContact O-N 3.15Å; C261-G263 VanDerWaalsContact C-N 3.32Å; C261-E264 PolarHBondContact O-N 3.4Å; C261-K265 WeakPolarHBondContact O-CG 3.35Å; C261-K265 PolarHBondContact O-N 3.44Å; C261-K265 VanDerWaalsContact O-N 3.17Å
262I94.8Very high93.7Very high0 Ų033.4 Ų33.40%016%0.162CC..Hα-helixtrans-62.2-44.4172.8-61.1164.4000109.9I125 F165 A168 A169 V172 P176 I178 D258 L259 E264 K265 F266I125-I262 HydrophobicContact CD1-CD1 3.9Å; F165-I262 HydrophobicContact CD1-CG2 4.02Å; F165-I262 HydrophobicContact CD2-CG2 4.27Å; F165-I262 HydrophobicContact CE1-CG2 3.54Å; F165-I262 HydrophobicContact CE2-CG2 3.81Å; F165-I262 HydrophobicContact CG-CG2 4.36Å; F165-I262 HydrophobicContact CZ-CB 4.13Å; F165-I262 HydrophobicContact CZ-CG2 3.42Å; F165-I262 VanDerWaalsContact CZ-CG2 3.42Å; A168-I262 HydrophobicContact CB-CG2 4.16Å; A169-I262 HydrophobicContact CB-CD1 4.16Å; A169-I262 HydrophobicContact CB-CG1 4.28Å; A169-I262 HydrophobicContact CB-CG2 3.99Å; V172-I262 HydrophobicContact CB-CG1 4.23Å; V172-I262 HydrophobicContact CG2-CB 4.43Å; V172-I262 HydrophobicContact CG2-CG1 3.65Å; P176-I262 HydrophobicContact CG-CD1 3.67Å; I178-I262 HydrophobicContact CD1-CD1 3.69Å; D258-I262 WeakPolarHBondContact O-CG1 3.29Å; D258-I262 PolarHBondContact O-N 3.37Å; L259-I262 PolarHBondContact O-N 2.92Å; I262-E264 PolarHBondContact O-N 2.9Å; I262-K265 PolarHBondContact O-N 3.15Å; I262-F266 WeakPolarHBondContact O-CB 3.42Å; I262-F266 PolarHBondContact O-N 3.44Å
263G94.5Very high93.8Very high2 Ų234.6 Ų34.62%0.02117%0.167CC..Hα-helixtrans-56.4-45.2177.200000113.1L259 L260 C261 F266 I267L259-G263 PolarHBondContact O-N 3.1Å; L260-G263 CarbonylContact O-C 3.51Å; L260-G263 WeakPolarHBondContact O-CA 3.45Å; L260-G263 PolarHBondContact O-N 3.37Å; C261-G263 VanDerWaalsContact C-N 3.32Å; G263-F266 PolarHBondContact O-N 3.14Å; G263-I267 WeakPolarHBondContact O-CB 3.43Å; G263-I267 WeakPolarHBondContact O-CD1 3.39Å; G263-I267 VanDerWaalsContact O-CG1 3.24Å; G263-I267 WeakPolarHBondContact O-CG1 3.5Å; G263-I267 PolarHBondContact O-N 2.93Å
264E94.1Very high94Very high55 Ų5533.1 Ų33.126%0.25716%0.162SC..Hα-helixtrans-56-55.1172.8174174.2-174.300110.6L69 L260 C261 I262 F266 I267 N268L69-E264 HydrophobicContact CD1-CB 3.86Å; L69-E264 HydrophobicContact CD1-CG 3.88Å; L69-E264 HydrophobicContact CD2-CB 4.17Å; L69-E264 HydrophobicContact CG-CB 3.89Å; L69-E264 HydrophobicContact CG-CG 3.89Å; L260-E264 PolarHBondContact O-N 3.44Å; C261-E264 PolarHBondContact O-N 3.4Å; I262-E264 PolarHBondContact O-N 2.9Å; E264-F266 VanDerWaalsContact C-N 3.32Å; E264-F266 PolarHBondContact O-N 2.91Å; E264-I267 PolarHBondContact O-N 2.62Å; E264-N268 PolarHBondContact O-N 3.37Å; E264-N268 PolarHBondContact O-ND2 3.28Å
265K95.7Very high94.1Very high64 Ų6429.9 Ų29.928%0.27815%0.147SC..Hα-helixtrans-60.9-41.7-178.6-65.5-176.6-171.9-1050112.1A168 Q171 V172 C261 I262 N268 L269A168-K265 HydrophobicContact CB-CB 3.84Å; Q171-K265 HydrophobicContact CB-CD 3.55Å; Q171-K265 WeakPolarHBondContact O-CE 3.48Å; Q171-K265 PolarHBondContact O-NZ 3.46Å; V172-K265 HydrophobicContact CG2-CD 3.73Å; C261-K265 WeakPolarHBondContact O-CG 3.35Å; C261-K265 PolarHBondContact O-N 3.44Å; C261-K265 VanDerWaalsContact O-N 3.17Å; I262-K265 PolarHBondContact O-N 3.15Å; K265-N268 PolarHBondContact O-N 3.32Å; K265-L269 WeakPolarHBondContact O-CG 3.41Å; K265-L269 PolarHBondContact O-N 3.18Å
266F96.7Very high94.2Very high0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-59.3-47.7175.4162.9-104.1000111.6L161 L164 F165 A168 I227 I262 G263 E264 N268 L269 L270L161-F266 HydrophobicContact CD2-CZ 4.4Å; L161-F266 WeakPolarHBondContact O-CE2 3.48Å; L164-F266 HydrophobicContact CB-CD2 4.01Å; L164-F266 HydrophobicContact CB-CE2 3.94Å; F165-F266 HydrophobicContact CB-CD2 4.01Å; F165-F266 HydrophobicContact CB-CE2 4.44Å; F165-F266 HydrophobicContact CD2-CB 3.98Å; F165-F266 HydrophobicContact CD2-CD1 4.21Å; F165-F266 HydrophobicContact CD2-CD2 4.14Å; F165-F266 AromaticContact CD2-CG 3.83Å; F165-F266 HydrophobicContact CD2-CG 3.83Å; A168-F266 HydrophobicContact CB-CB 3.75Å; A168-F266 VanDerWaalsContact CB-N 3.3Å; I227-F266 HydrophobicContact CB-CZ 4.36Å; I227-F266 HydrophobicContact CG1-CZ 4.41Å; I227-F266 HydrophobicContact CG2-CE1 3.66Å; I227-F266 HydrophobicContact CG2-CZ 3.82Å; I262-F266 WeakPolarHBondContact O-CB 3.42Å; I262-F266 PolarHBondContact O-N 3.44Å; G263-F266 PolarHBondContact O-N 3.14Å; E264-F266 VanDerWaalsContact C-N 3.32Å; E264-F266 PolarHBondContact O-N 2.91Å; F266-N268 PolarHBondContact O-N 2.78Å; F266-L269 WeakPolarHBondContact O-CB 3.46Å; F266-L269 PolarHBondContact O-N 2.85Å; F266-L270 HydrophobicContact CE1-CD1 3.79Å; F266-L270 HydrophobicContact CE1-CG 4.32Å; F266-L270 HydrophobicContact CE2-CD2 4.01Å; F266-L270 HydrophobicContact CE2-CG 4.31Å; F266-L270 HydrophobicContact CZ-CD1 3.84Å; F266-L270 HydrophobicContact CZ-CD2 3.86Å; F266-L270 HydrophobicContact CZ-CG 4.04Å; F266-L270 PolarHBondContact O-N 2.94Å
267I96.5Very high94.3Very high0 Ų033.5 Ų33.50%016%0.163CC..Hα-helixtrans-61.8-35.6179.3-75.3167.4000111.4V23 I25 L69 K72 V74 G263 E264 L269 L270V23-I267 HydrophobicContact CB-CG1 4.46Å; V23-I267 HydrophobicContact CG1-CD1 4.01Å; V23-I267 HydrophobicContact CG1-CG1 4.05Å; V23-I267 HydrophobicContact CG2-CG1 4.38Å; V23-I267 HydrophobicContact CG2-CG2 4.24Å; I25-I267 HydrophobicContact CD1-CD1 3.54Å; I25-I267 HydrophobicContact CG1-CD1 3.97Å; L69-I267 HydrophobicContact CD2-CD1 3.71Å; K72-I267 HydrophobicContact CB-CG2 3.68Å; K72-I267 HydrophobicContact CG-CG2 3.84Å; V74-I267 HydrophobicContact CG1-CG2 4.01Å; G263-I267 WeakPolarHBondContact O-CB 3.43Å; G263-I267 WeakPolarHBondContact O-CD1 3.39Å; G263-I267 VanDerWaalsContact O-CG1 3.24Å; G263-I267 WeakPolarHBondContact O-CG1 3.5Å; G263-I267 PolarHBondContact O-N 2.93Å; E264-I267 PolarHBondContact O-N 2.62Å; I267-L269 PolarHBondContact O-N 2.9Å; I267-L270 PolarHBondContact O-N 2.85Å
268N95.5Very high94.6Very high39 Ų3928.1 Ų28.121%0.20915%0.146CC..Hα-helixtrans-73.5-14.3176.4-74.2-93.7000113.2L69 G70 H71 E264 K265 F266L69-N268 PolarHBondContact O-ND2 3.22Å; G70-N268 WeakPolarHBondContact CA-OD1 3.49Å; H71-N268 PolarHBondContact CE1-O 3.37Å; H71-N268 PolarHBondContact CE1-OD1 3.33Å; H71-N268 VanDerWaalsContact CE1-OD1 3.23Å; H71-N268 PolarHBondContact N-OD1 3.01Å; H71-N268 PolarHBondContact ND1-OD1 3.36Å; E264-N268 PolarHBondContact O-N 3.37Å; E264-N268 PolarHBondContact O-ND2 3.28Å; K265-N268 PolarHBondContact O-N 3.32Å; F266-N268 PolarHBondContact O-N 2.78Å
269L96Very high94.7Very high67 Ų6728.9 Ų28.935%0.35115%0.15SC..Hα-helixtrans-89.6-12.7172.6-66.7173.7000113.8L164 I167 A168 K265 F266 I267L164-L269 HydrophobicContact CD2-CB 4.47Å; I167-L269 HydrophobicContact CB-CD1 4.33Å; I167-L269 HydrophobicContact CG2-CD1 3.89Å; A168-L269 HydrophobicContact CB-CD1 4.04Å; K265-L269 WeakPolarHBondContact O-CG 3.41Å; K265-L269 PolarHBondContact O-N 3.18Å; F266-L269 WeakPolarHBondContact O-CB 3.46Å; F266-L269 PolarHBondContact O-N 2.85Å; I267-L269 PolarHBondContact O-N 2.9Å
270L94Very high94.7Very high73 Ų7331.5 Ų31.538%0.38216%0.163SC..  trans-75.90176.1-67177000112.2V23 K72 T106 L161 L164 F266 I267V23-L270 HydrophobicContact CG2-CD1 3.76Å; K72-L270 WeakPolarHBondContact CE-OXT 3.28Å; K72-L270 PolarHBondContact NZ-OXT 2.96Å; T106-L270 HydrophobicContact CG2-CD1 4.03Å; L161-L270 HydrophobicContact CD2-CD2 3.85Å; L164-L270 HydrophobicContact CD1-CD2 4.09Å; F266-L270 HydrophobicContact CE1-CD1 3.79Å; F266-L270 HydrophobicContact CE1-CG 4.32Å; F266-L270 HydrophobicContact CE2-CD2 4.01Å; F266-L270 HydrophobicContact CE2-CG 4.31Å; F266-L270 HydrophobicContact CZ-CD1 3.84Å; F266-L270 HydrophobicContact CZ-CD2 3.86Å; F266-L270 HydrophobicContact CZ-CG 4.04Å; F266-L270 PolarHBondContact O-N 2.94Å; I267-L270 PolarHBondContact O-N 2.85Å

Retrieved 270 of 270 residues in 174.2 ms (Link to these results)

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