A0A096MRP5_PAPAN Loading...

ADP-ribosylation factor GTPase-activating protein 2

AlphaFold DB , UniProt , Accession A0A096MRP5, Species PAPAN (Papio anubis, Olive baboon), Gene ARFGAP2, Length 521 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
1M46.8Very low82.5Confident242 Ų24291 Ų91100%1.19250%0.497SS*.  0154.90-65.9170.3-178.800107.5
2A57.2Low83.3Confident85 Ų8587.7 Ų87.770%0.70248%0.482SS*.PPolyproline II helixtrans-67.8142.8168.800000109.2
3A79.3Confident84Confident68 Ų6881 Ų8156%0.56245%0.445SS*.PPolyproline II helixtrans-67.5135.7175.100000110W74A3-W74 PolarHBondContact O-NE1 3.35Å
4E85.4Confident84.8Confident134 Ų13475.4 Ų75.463%0.62641%0.414SS*.PPolyproline II helixtrans-75.6146.8172.6-62.7-159.3138.100110.5
5P89Confident85.3Confident10 Ų1081.5 Ų81.57%0.06544%0.435CS..PPolyproline II helixtrans-66135.3179.827.4-34000111E9 I10 W72 W74 L77P5-E9 WeakPolarHBondContact CA-OE2 3.37Å; P5-I10 HydrophobicContact CB-CD1 4.42Å; P5-I10 HydrophobicContact CB-CG1 4.03Å; P5-I10 HydrophobicContact CG-CD1 4.21Å; P5-I10 HydrophobicContact CG-CG1 4.13Å; P5-W72 WeakPolarHBondContact CD-O 3.44Å; P5-W72 WeakPolarHBondContact CG-O 3.38Å; P5-W74 HydrophobicContact CB-CD2 4.01Å; P5-W74 HydrophobicContact CB-CE3 4.42Å; P5-W74 HydrophobicContact CB-CH2 4.08Å; P5-W74 HydrophobicContact CB-CZ2 3.63Å; P5-W74 HydrophobicContact CB-CZ3 4.46Å; P5-W74 HydrophobicContact CG-CD2 4.37Å; P5-W74 HydrophobicContact CG-CG 4.47Å; P5-L77 HydrophobicContact CB-CD1 3.73Å; P5-L77 HydrophobicContact CG-CD1 3.68Å
6N91.4Very high85.7Confident99 Ų9983.4 Ų83.453%0.52943%0.434SS..PPolyproline II helixtrans-73.1151.7177.6-178.810.5000110.9T8 E9 I10N6-T8 PolarHBondContact O-N 3.29Å; N6-T8 VanDerWaalsContact O-N 3.15Å; N6-E9 HydrophobicContact CB-CG 4.02Å; N6-E9 PolarHBondContact N-OE2 3.18Å; N6-E9 WeakPolarHBondContact O-CA 3.35Å; N6-E9 VanDerWaalsContact O-CB 3.28Å; N6-E9 WeakPolarHBondContact O-CB 3.41Å; N6-E9 PolarHBondContact O-N 3.19Å; N6-I10 PolarHBondContact O-N 2.89Å; N6-I10 VanDerWaalsContact O-N 3.11Å
7K91.1Very high86.2Confident118 Ų11878.8 Ų78.851%0.51341%0.41SS..Hα-helixtrans-52.7-39.8-177.2-172.6174.3-178.2175.70112.8E9 I10 Q11K7-E9 VanDerWaalsContact C-N 3.29Å; K7-E9 PolarHBondContact O-N 3.04Å; K7-I10 PolarHBondContact O-N 3.38Å; K7-Q11 WeakPolarHBondContact O-CB 3.27Å; K7-Q11 VanDerWaalsContact O-CG 3.3Å; K7-Q11 WeakPolarHBondContact O-CG 3.49Å; K7-Q11 PolarHBondContact O-N 2.61Å
8T90.8Very high86.6Confident89 Ų8977.6 Ų77.655%0.54640%0.399SS..Hα-helixtrans-63.4-35.1177.7-41.10000112.4N6 T12N6-T8 PolarHBondContact O-N 3.29Å; N6-T8 VanDerWaalsContact O-N 3.15Å; T8-T12 WeakPolarHBondContact O-CB 3.48Å; T8-T12 PolarHBondContact O-N 3.14Å; T8-T12 PolarHBondContact O-OG1 3.14Å
9E91Very high86.9Confident51 Ų5176.5 Ų76.524%0.23840%0.403CS..Hα-helixtrans-73.1-47.3180-50.8-174.3113.200110.7P5 N6 K7 Q11 T12 L13 L133P5-E9 WeakPolarHBondContact CA-OE2 3.37Å; N6-E9 HydrophobicContact CB-CG 4.02Å; N6-E9 PolarHBondContact N-OE2 3.18Å; N6-E9 WeakPolarHBondContact O-CA 3.35Å; N6-E9 VanDerWaalsContact O-CB 3.28Å; N6-E9 WeakPolarHBondContact O-CB 3.41Å; N6-E9 PolarHBondContact O-N 3.19Å; K7-E9 VanDerWaalsContact C-N 3.29Å; K7-E9 PolarHBondContact O-N 3.04Å; E9-Q11 VanDerWaalsContact C-N 3.34Å; E9-Q11 PolarHBondContact O-N 2.75Å; E9-T12 PolarHBondContact O-N 3.12Å; E9-L13 WeakPolarHBondContact O-CB 3.3Å; E9-L13 PolarHBondContact O-N 3.19Å; E9-L133 HydrophobicContact CB-CD1 3.91Å; E9-L133 HydrophobicContact CB-CD2 3.86Å; E9-L133 HydrophobicContact CB-CG 4.28Å; E9-L133 HydrophobicContact CG-CD1 3.83Å; E9-L133 HydrophobicContact CG-CG 4.46Å
10I92.9Very high87.2Confident4 Ų474.4 Ų74.42%0.02139%0.393CS..Hα-helixtrans-54.7-50.1173.8-62.5164.3000110.1P5 N6 K7 L13 F14 S70 W72 L77P5-I10 HydrophobicContact CB-CD1 4.42Å; P5-I10 HydrophobicContact CB-CG1 4.03Å; P5-I10 HydrophobicContact CG-CD1 4.21Å; P5-I10 HydrophobicContact CG-CG1 4.13Å; N6-I10 PolarHBondContact O-N 2.89Å; N6-I10 VanDerWaalsContact O-N 3.11Å; K7-I10 PolarHBondContact O-N 3.38Å; I10-L13 PolarHBondContact O-N 3.04Å; I10-F14 HydrophobicContact CG2-CD2 3.69Å; I10-F14 HydrophobicContact CG2-CE2 3.67Å; I10-F14 VanDerWaalsContact O-CD2 3.31Å; I10-F14 WeakPolarHBondContact O-CD2 3.26Å; I10-F14 PolarHBondContact O-N 2.95Å; I10-S70 VanDerWaalsContact CD1-O 3.23Å; I10-S70 WeakPolarHBondContact CD1-O 3.37Å; I10-W72 HydrophobicContact CD1-CB 3.9Å; I10-W72 HydrophobicContact CD1-CG 4.44Å; I10-W72 HydrophobicContact CG1-CB 4.22Å; I10-W72 HydrophobicContact CG2-CG 4.24Å; I10-L77 HydrophobicContact CG1-CD1 4.14Å; I10-L77 HydrophobicContact CG1-CD2 4.48Å; I10-L77 HydrophobicContact CG2-CD2 4.42Å
11Q92.4Very high87.6Confident101 Ų10175.8 Ų75.847%0.47241%0.406SS..Hα-helixtrans-64.9-41.8178.7-73.6-179.9-21.100112.5K7 E9 L13 F14 K15K7-Q11 WeakPolarHBondContact O-CB 3.27Å; K7-Q11 VanDerWaalsContact O-CG 3.3Å; K7-Q11 WeakPolarHBondContact O-CG 3.49Å; K7-Q11 PolarHBondContact O-N 2.61Å; E9-Q11 VanDerWaalsContact C-N 3.34Å; E9-Q11 PolarHBondContact O-N 2.75Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 2.9Å; Q11-F14 PolarHBondContact O-N 2.87Å; Q11-K15 WeakPolarHBondContact O-CB 3.35Å; Q11-K15 PolarHBondContact O-N 3.3Å
12T92.1Very high89.8Confident51 Ų5167.6 Ų67.631%0.31337%0.37SS..Hα-helixtrans-63.5-39.5177.9-66.40000111.7T8 E9 R16 I135T8-T12 WeakPolarHBondContact O-CB 3.48Å; T8-T12 PolarHBondContact O-N 3.14Å; T8-T12 PolarHBondContact O-OG1 3.14Å; E9-T12 PolarHBondContact O-N 3.12Å; T12-R16 PolarHBondContact O-N 3.4Å; T12-I135 HydrophobicContact CG2-CD1 4.31Å
13L93.1Very high91.7Very high1 Ų163.9 Ų63.91%0.00534%0.339CS..Hα-helixtrans-67.5-51.9175.4177.257.5000111.7E9 I10 Q11 K15 R16 L17 L77 Q81 I135 I138E9-L13 WeakPolarHBondContact O-CB 3.3Å; E9-L13 PolarHBondContact O-N 3.19Å; I10-L13 PolarHBondContact O-N 3.04Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 2.9Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.09Å; L13-R16 PolarHBondContact O-N 3.3Å; L13-R16 VanDerWaalsContact O-N 3.11Å; L13-L17 HydrophobicContact CD1-CD1 3.89Å; L13-L17 HydrophobicContact CD1-CG 3.94Å; L13-L17 HydrophobicContact CD2-CD1 4.44Å; L13-L17 HydrophobicContact CG-CD1 3.86Å; L13-L17 HydrophobicContact CG-CG 4.33Å; L13-L17 PolarHBondContact O-N 2.87Å; L13-L77 HydrophobicContact CD2-CB 3.76Å; L13-L77 HydrophobicContact CD2-CD1 4.31Å; L13-L77 HydrophobicContact CD2-CD2 4.21Å; L13-L77 HydrophobicContact CD2-CG 4.31Å; L13-Q81 HydrophobicContact CD1-CG 3.81Å; L13-Q81 VanDerWaalsContact CD1-NE2 3.32Å; L13-Q81 HydrophobicContact CD2-CG 4.1Å; L13-I135 HydrophobicContact CD1-CG1 4.39Å; L13-I138 HydrophobicContact CD1-CD1 4.48Å
14F94.6Very high92.4Very high3 Ų365 Ų651%0.01333%0.331CS..Hα-helixtrans-65.4-32.3-179.3-75.7-53.8000113.2I10 Q11 R16 L17 R18 F44 T66 W72 L77 M80I10-F14 HydrophobicContact CG2-CD2 3.69Å; I10-F14 HydrophobicContact CG2-CE2 3.67Å; I10-F14 VanDerWaalsContact O-CD2 3.31Å; I10-F14 WeakPolarHBondContact O-CD2 3.26Å; I10-F14 PolarHBondContact O-N 2.95Å; Q11-F14 PolarHBondContact O-N 2.87Å; F14-R16 VanDerWaalsContact C-N 3.28Å; F14-R16 PolarHBondContact O-N 3.17Å; F14-L17 HydrophobicContact CD1-CD1 4.14Å; F14-L17 HydrophobicContact CE1-CD1 4.3Å; F14-L17 PolarHBondContact O-N 2.88Å; F14-R18 VanDerWaalsContact O-CB 3.31Å; F14-R18 WeakPolarHBondContact O-CB 3.49Å; F14-R18 WeakPolarHBondContact O-CG 3.37Å; F14-R18 PolarHBondContact O-N 3Å; F14-F44 AromaticContact CD1-CE1 3.97Å; F14-F44 HydrophobicContact CD1-CE1 3.97Å; F14-F44 HydrophobicContact CD1-CZ 4.23Å; F14-F44 HydrophobicContact CE1-CE1 4.25Å; F14-F44 HydrophobicContact CE1-CZ 4.42Å; F14-T66 HydrophobicContact CD1-CG2 3.71Å; F14-T66 HydrophobicContact CD2-CG2 4.23Å; F14-T66 HydrophobicContact CE1-CG2 3.64Å; F14-T66 HydrophobicContact CE2-CG2 4.15Å; F14-T66 HydrophobicContact CG-CG2 4.04Å; F14-T66 HydrophobicContact CZ-CG2 3.88Å; F14-W72 HydrophobicContact CE1-CH2 4.4Å; F14-W72 HydrophobicContact CE2-CD2 4.03Å; F14-W72 AromaticContact CE2-CE2 3.68Å; F14-W72 HydrophobicContact CE2-CE3 4.37Å; F14-W72 HydrophobicContact CE2-CH2 4.16Å; F14-W72 AromaticContact CE2-CZ2 3.77Å; F14-W72 HydrophobicContact CE2-CZ2 3.77Å; F14-W72 HydrophobicContact CE2-CZ3 4.42Å; F14-W72 HydrophobicContact CZ-CD2 4.14Å; F14-W72 AromaticContact CZ-CE2 3.88Å; F14-W72 HydrophobicContact CZ-CE3 4.04Å; F14-W72 AromaticContact CZ-CH2 3.5Å; F14-W72 HydrophobicContact CZ-CH2 3.5Å; F14-W72 VanDerWaalsContact CZ-CH2 3.5Å; F14-W72 AromaticContact CZ-CZ2 3.58Å; F14-W72 HydrophobicContact CZ-CZ2 3.58Å; F14-W72 AromaticContact CZ-CZ3 3.71Å; F14-W72 HydrophobicContact CZ-CZ3 3.71Å; F14-L77 HydrophobicContact CE2-CD2 3.93Å; F14-L77 HydrophobicContact CZ-CD2 3.96Å; F14-M80 HydrophobicContact CE1-CB 4.11Å; F14-M80 HydrophobicContact CE1-CG 3.96Å; F14-M80 HydrophobicContact CZ-CG 4.24Å
15K93Very high93Very high166 Ų16660.3 Ų60.372%0.72232%0.315SS*.Hα-helixtrans-57.6-40.4171.8-177.7175.7-179.8178.80111.9Q11 L13 A19Q11-K15 WeakPolarHBondContact O-CB 3.35Å; Q11-K15 PolarHBondContact O-N 3.3Å; L13-K15 VanDerWaalsContact C-N 3.31Å; L13-K15 PolarHBondContact O-N 3.09Å; K15-A19 PolarHBondContact O-N 3.02Å
16R91.9Very high93.4Very high113 Ų11360.1 Ų60.143%0.42631%0.314SS..Hα-helixtrans-79.2-42.2177.3-75.1168.8159.2153.5-28.3112.5T12 L13 F14 R18 A19 I135T12-R16 PolarHBondContact O-N 3.4Å; L13-R16 PolarHBondContact O-N 3.3Å; L13-R16 VanDerWaalsContact O-N 3.11Å; F14-R16 VanDerWaalsContact C-N 3.28Å; F14-R16 PolarHBondContact O-N 3.17Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 2.86Å; R16-A19 VanDerWaalsContact O-CB 3.27Å; R16-A19 WeakPolarHBondContact O-CB 3.02Å; R16-A19 PolarHBondContact O-N 3.04Å; R16-I135 VanDerWaalsContact CZ-CG2 3.47Å
17L93.3Very high93.6Very high5 Ų556.4 Ų56.43%0.02629%0.293CS..Hα-helixtrans-61.9-37.6176.4-69.3173.4000112.5L13 F14 A19 V20 N23 F44 M80 Q81 I138L13-L17 HydrophobicContact CD1-CD1 3.89Å; L13-L17 HydrophobicContact CD1-CG 3.94Å; L13-L17 HydrophobicContact CD2-CD1 4.44Å; L13-L17 HydrophobicContact CG-CD1 3.86Å; L13-L17 HydrophobicContact CG-CG 4.33Å; L13-L17 PolarHBondContact O-N 2.87Å; F14-L17 HydrophobicContact CD1-CD1 4.14Å; F14-L17 HydrophobicContact CE1-CD1 4.3Å; F14-L17 PolarHBondContact O-N 2.88Å; L17-A19 VanDerWaalsContact C-N 3.31Å; L17-V20 WeakPolarHBondContact O-CB 3.35Å; L17-N23 WeakPolarHBondContact O-CB 3.49Å; L17-N23 PolarHBondContact O-ND2 2.91Å; L17-F44 HydrophobicContact CB-CE2 4.34Å; L17-F44 HydrophobicContact CB-CZ 3.74Å; L17-F44 HydrophobicContact CD1-CZ 4.28Å; L17-M80 HydrophobicContact CD1-CB 3.93Å; L17-Q81 HydrophobicContact CD1-CG 4.43Å; L17-I138 HydrophobicContact CD2-CD1 3.86Å
18R93.1Very high93.8Very high57 Ų5752.8 Ų52.822%0.21528%0.279CS..THydrogen-bonded Turntrans-81.1-5.9174.6-64.3167.777.1-150.411.8113.3F14 R16 K24 N33 P34 F44 E67F14-R18 VanDerWaalsContact O-CB 3.31Å; F14-R18 WeakPolarHBondContact O-CB 3.49Å; F14-R18 WeakPolarHBondContact O-CG 3.37Å; F14-R18 PolarHBondContact O-N 3Å; R16-R18 VanDerWaalsContact C-N 3.31Å; R16-R18 PolarHBondContact O-N 2.86Å; R18-K24 WeakPolarHBondContact O-CE 3.29Å; R18-K24 VanDerWaalsContact O-CG 3.22Å; R18-K24 WeakPolarHBondContact O-CG 3.49Å; R18-N33 PolarHBondContact NH2-O 3.23Å; R18-P34 VanDerWaalsContact CZ-O 3.28Å; R18-P34 PolarHBondContact NE-O 3.46Å; R18-P34 PolarHBondContact NH2-O 3.25Å; R18-F44 HydrophobicContact CG-CD1 4.06Å; R18-F44 HydrophobicContact CG-CE1 3.74Å; R18-F44 HydrophobicContact CG-CZ 4.35Å; R18-E67 IonicContact CZ-OE1 3.14Å; R18-E67 IonicContact NH1-OE1 2.8Å; R18-E67 PolarHBondContact NH1-OE1 3.44Å; R18-E67 IonicContact NH2-OE1 2.69Å; R18-E67 PolarHBondContact NH2-OE1 3.12Å
19A93.3Very high94.1Very high56 Ų5652.1 Ų52.146%0.46328%0.277SS..THydrogen-bonded Turntrans-74.8-28.1169.400000112.1K15 R16 L17 K24K15-A19 PolarHBondContact O-N 3.02Å; R16-A19 VanDerWaalsContact O-CB 3.27Å; R16-A19 WeakPolarHBondContact O-CB 3.02Å; R16-A19 PolarHBondContact O-N 3.04Å; L17-A19 VanDerWaalsContact C-N 3.31Å; A19-K24 WeakPolarHBondContact O-CE 3.33Å; A19-K24 PolarHBondContact O-NZ 2.79Å
20V93.3Very high94.2Very high35 Ų3551.8 Ų51.821%0.21229%0.287CS..SBendtrans-61125.2175.9-175.50000110.1L17 T22 N23 I138L17-V20 WeakPolarHBondContact O-CB 3.35Å; V20-T22 VanDerWaalsContact C-N 3.32Å; V20-T22 PolarHBondContact O-N 2.89Å; V20-N23 HydrophobicContact CB-CB 4.39Å; V20-N23 PolarHBondContact O-N 3.28Å; V20-I138 HydrophobicContact CG2-CG2 3.78Å
21P94.4Very high94.4Very high103 Ų10353.4 Ų53.467%0.66930%0.301SS*.G310 helixtrans-55.4-39.8-172.8-29.135.7000115N23 K24P21-N23 VanDerWaalsContact C-N 3.28Å; P21-N23 PolarHBondContact O-N 3.3Å; P21-K24 WeakPolarHBondContact O-CB 3.45Å; P21-K24 PolarHBondContact O-N 3Å; P21-K24 VanDerWaalsContact O-N 3.14Å
22T94.1Very high94.6Very high71 Ų7157.5 Ų57.544%0.43632%0.317SS..G310 helixtrans-69.3-22.8-179.350.90000113.6V20 K24 N85 A86V20-T22 VanDerWaalsContact C-N 3.32Å; V20-T22 PolarHBondContact O-N 2.89Å; T22-K24 VanDerWaalsContact C-N 3.35Å; T22-N85 WeakPolarHBondContact O-CB 3.33Å; T22-A86 HydrophobicContact CG2-CB 4.11Å
23N95.5Very high94.6Very high7 Ų760.5 Ų60.54%0.03733%0.332CS..G310 helixtrans-86.8-4.4175-65.2-22000112.7L17 V20 P21 A25 P34 F44 N85L17-N23 WeakPolarHBondContact O-CB 3.49Å; L17-N23 PolarHBondContact O-ND2 2.91Å; V20-N23 HydrophobicContact CB-CB 4.39Å; V20-N23 PolarHBondContact O-N 3.28Å; P21-N23 VanDerWaalsContact C-N 3.28Å; P21-N23 PolarHBondContact O-N 3.3Å; N23-A25 VanDerWaalsContact C-N 3.29Å; N23-P34 WeakPolarHBondContact O-CG 3.44Å; N23-F44 HydrophobicContact CB-CD2 3.77Å; N23-F44 HydrophobicContact CB-CE2 3.99Å; N23-F44 HydrophobicContact CB-CG 4.45Å; N23-N85 PolarHBondContact OD1-N 2.96Å
24K95.6Very high94.8Very high91 Ų9160.5 Ų60.540%0.39633%0.332SS..G310 helixtrans-84.1-0.1174.6-64.1177.5-173.7164.30113.6R18 A19 P21 T22 K32 N33 P34R18-K24 WeakPolarHBondContact O-CE 3.29Å; R18-K24 VanDerWaalsContact O-CG 3.22Å; R18-K24 WeakPolarHBondContact O-CG 3.49Å; A19-K24 WeakPolarHBondContact O-CE 3.33Å; A19-K24 PolarHBondContact O-NZ 2.79Å; P21-K24 WeakPolarHBondContact O-CB 3.45Å; P21-K24 PolarHBondContact O-N 3Å; P21-K24 VanDerWaalsContact O-N 3.14Å; T22-K24 VanDerWaalsContact C-N 3.35Å; K24-K32 CarbonylContact O-C 3.54Å; K24-K32 WeakPolarHBondContact O-CA 3.34Å; K24-N33 PolarHBondContact O-N 3.05Å; K24-P34 VanDerWaalsContact C-CD 3.5Å; K24-P34 WeakPolarHBondContact O-CD 3.49Å
25A96.8Very high94.9Very high36 Ų3661.7 Ų61.730%0.29834%0.34SS..BIsolated β-bridgetrans-122.5137.2173.400000109.8N23 A31 N85N23-A25 VanDerWaalsContact C-N 3.29Å; A25-A31 CarbonylContact C-O 3.59Å; A25-A31 WeakPolarHBondContact CA-O 3.42Å; A25-N85 PolarHBondContact O-ND2 2.85Å
26C97.2Very high95Very high5 Ų555.2 Ų55.23%0.03431%0.312CS..  trans-56.9133.7174.2177.80000111D28 C29 G30 A31 C46C26-D28 PolarHBondContact O-N 3.07Å; C26-C29 PolarHBondContact SG-SG 3.37Å; C26-G30 VanDerWaalsContact O-CA 3.29Å; C26-G30 WeakPolarHBondContact O-CA 3.15Å; C26-G30 PolarHBondContact O-N 3.41Å; C26-A31 HydrophobicContact CB-CB 4.21Å; C26-A31 PolarHBondContact N-O 3.24Å; C26-C46 HydrophobicContact CB-CB 4.21Å; C26-C46 PolarHBondContact SG-N 3.42Å
27F96.6Very high95.3Very high21 Ų2149.9 Ų49.99%0.09229%0.291CS..THydrogen-bonded Turntrans-65.3-19.2-177.4175.2-116.3000114.8V43 F44 L45 A88 F92 K105 Y106F27-V43 HydrophobicContact CB-CB 4.05Å; F27-V43 HydrophobicContact CB-CG1 4.48Å; F27-V43 HydrophobicContact CB-CG2 4.39Å; F27-V43 HydrophobicContact CD1-CB 4.09Å; F27-V43 HydrophobicContact CD1-CG1 3.99Å; F27-V43 HydrophobicContact CD1-CG2 3.92Å; F27-V43 HydrophobicContact CD2-CG1 4.46Å; F27-V43 HydrophobicContact CE1-CG1 4.34Å; F27-V43 HydrophobicContact CG-CB 4.11Å; F27-V43 HydrophobicContact CG-CG1 4.05Å; F27-V43 HydrophobicContact CG-CG2 4.39Å; F27-F44 PolarHBondContact N-O 2.96Å; F27-L45 HydrophobicContact CB-CD2 4.21Å; F27-A88 HydrophobicContact CD2-CB 4.13Å; F27-A88 HydrophobicContact CE1-CB 4.42Å; F27-A88 HydrophobicContact CE2-CB 3.61Å; F27-A88 HydrophobicContact CZ-CB 3.78Å; F27-F92 HydrophobicContact CZ-CD2 4.18Å; F27-F92 HydrophobicContact CZ-CE2 4.31Å; F27-F92 HydrophobicContact CZ-CG 4.35Å; F27-K105 VanDerWaalsContact CE1-CE 3.45Å; F27-K105 VanDerWaalsContact CE1-NZ 3.31Å; F27-K105 PolarHBondContact O-NZ 2.84Å; F27-Y106 WeakPolarHBondContact CD1-OH 3.42Å; F27-Y106 HydrophobicContact CE1-CE1 4.18Å; F27-Y106 WeakPolarHBondContact CE1-OH 3.41Å
28D95.9Very high95.5Very high43 Ų4349.6 Ų49.623%0.2329%0.29CS..THydrogen-bonded Turntrans-101.6-51.7178.4-68.3-55.6000113.1C26 L45 C49 H53 K105 Y106C26-D28 PolarHBondContact O-N 3.07Å; D28-L45 WeakPolarHBondContact OD2-CD2 3.39Å; D28-C49 HydrophobicContact CB-CB 4.42Å; D28-H53 IonicContact OD2-CD2 2.69Å; D28-H53 IonicContact OD2-NE2 2.72Å; D28-H53 PolarHBondContact OD2-NE2 2.93Å; D28-H53 VanDerWaalsContact OD2-NE2 3.12Å; D28-K105 IonicContact OD1-NZ 2.78Å; D28-K105 PolarHBondContact OD1-NZ 3.4Å; D28-Y106 VanDerWaalsContact CG-OH 3.26Å; D28-Y106 PolarHBondContact OD1-OH 2.92Å; D28-Y106 PolarHBondContact OD2-OH 3.13Å
29C95.4Very high95.7Very high74 Ų7447.4 Ų47.450%0.528%0.282SS..THydrogen-bonded Turntrans-108.9-0.4-173.168.30000115.2C26 A31C26-C29 PolarHBondContact SG-SG 3.37Å; C29-A31 PolarHBondContact O-N 3.32Å; C29-A31 VanDerWaalsContact O-N 3.11Å; C29-A31 WeakPolarHBondContact SG-CB 3.45Å
30G94.7Very high95.9Very high44 Ų4446.1 Ų46.145%0.45427%0.269SS..  trans70.9-2.5-17800000116C26C26-G30 VanDerWaalsContact O-CA 3.29Å; C26-G30 WeakPolarHBondContact O-CA 3.15Å; C26-G30 PolarHBondContact O-N 3.41Å
31A96.6Very high96Very high38 Ų3844.5 Ų44.531%0.31426%0.259SS..  trans-54.5140-179.300000113A25 C26 C29 C46A25-A31 CarbonylContact C-O 3.59Å; A25-A31 WeakPolarHBondContact CA-O 3.42Å; C26-A31 HydrophobicContact CB-CB 4.21Å; C26-A31 PolarHBondContact N-O 3.24Å; C29-A31 PolarHBondContact O-N 3.32Å; C29-A31 VanDerWaalsContact O-N 3.11Å; C29-A31 WeakPolarHBondContact SG-CB 3.45Å; A31-C46 HydrophobicContact CB-CB 4.04Å
32K95.7Very high96.2Very high187 Ų18739.6 Ų39.681%0.81323%0.227SC*.BIsolated β-bridgetrans-71.6150.3-170.3-62.5178-177.4175.50112.7K24K24-K32 CarbonylContact O-C 3.54Å; K24-K32 WeakPolarHBondContact O-CA 3.34Å
33N93.1Very high96.3Very high114 Ų11436.2 Ų36.261%0.6121%0.206SC*.SBendtrans51.752.2173.3-61.4-22.5000115.2R18 K24 S35R18-N33 PolarHBondContact NH2-O 3.23Å; K24-N33 PolarHBondContact O-N 3.05Å; N33-S35 PolarHBondContact O-N 2.95Å
34P96.3Very high96.5Very high2 Ų235.9 Ų35.91%0.01320%0.204CC..  trans-52.7133.6177.325.4-36.1000112.1R18 N23 K24 F44 L45R18-P34 VanDerWaalsContact CZ-O 3.28Å; R18-P34 PolarHBondContact NE-O 3.46Å; R18-P34 PolarHBondContact NH2-O 3.25Å; N23-P34 WeakPolarHBondContact O-CG 3.44Å; K24-P34 VanDerWaalsContact C-CD 3.5Å; K24-P34 WeakPolarHBondContact O-CD 3.49Å; P34-F44 HydrophobicContact CB-CB 3.92Å; P34-F44 HydrophobicContact CG-CB 3.65Å; P34-L45 WeakPolarHBondContact CA-O 3.36Å; P34-L45 WeakPolarHBondContact CB-O 3.5Å
35S96.1Very high96.6Very high27 Ų2731.5 Ų31.519%0.18919%0.186CC..  trans-114.9-0.5-179.555.40000113.5N33 L45 S65 T66 E67N33-S35 PolarHBondContact O-N 2.95Å; S35-L45 PolarHBondContact N-O 2.84Å; S35-S65 PolarHBondContact O-OG 3.06Å; S35-T66 PolarHBondContact O-N 3.49Å; S35-T66 PolarHBondContact O-OG1 3.49Å; S35-T66 VanDerWaalsContact O-OG1 3.12Å; S35-E67 WeakPolarHBondContact CB-OE2 3.33Å
36W97.1Very high96.6Very high31 Ų3130.3 Ų30.312%0.11718%0.175CC..EExtended strand (participates in β ladder)trans-109.6157.6172.7-66.586.8000110.2F44 L45 R54 I63 R64 S65W36-F44 CarbonylContact O-C 3.57Å; W36-F44 WeakPolarHBondContact O-CA 3.27Å; W36-L45 HydrophobicContact CB-CB 4.34Å; W36-L45 WeakPolarHBondContact CB-O 3.34Å; W36-L45 PolarHBondContact N-O 3.16Å; W36-L45 VanDerWaalsContact N-O 3.11Å; W36-L45 PolarHBondContact O-N 2.87Å; W36-R54 VanDerWaalsContact CH2-NH2 3.29Å; W36-I63 HydrophobicContact CE3-CG2 3.7Å; W36-I63 HydrophobicContact CZ3-CG2 4.25Å; W36-R64 VanDerWaalsContact CE3-C 3.45Å; W36-S65 VanDerWaalsContact CE3-N 3.34Å
37A97.3Very high96.5Very high0 Ų035.2 Ų35.20%020%0.199CC..EExtended strand (participates in β ladder)trans-137.4143.717700000111.6V43 I63 R64 T66 W72 M80A37-V43 CarbonylContact C-O 3.59Å; A37-V43 VanDerWaalsContact CA-O 3.22Å; A37-V43 WeakPolarHBondContact CA-O 3.19Å; A37-I63 WeakPolarHBondContact O-CA 3.4Å; A37-R64 PolarHBondContact N-O 3.5Å; A37-R64 PolarHBondContact O-N 3.34Å; A37-T66 HydrophobicContact CB-CG2 3.81Å; A37-W72 HydrophobicContact CB-CH2 4.24Å; A37-M80 HydrophobicContact CB-CE 3.62Å; A37-M80 HydrophobicContact CB-SD 3.84Å
38S97.4Very high96.6Very high0 Ų039.4 Ų39.40%022%0.223CC..EExtended strand (participates in β ladder)trans-98.1108.6163.7-178.50000109.3T40 Y41 G42 V43 S61 F62S38-T40 VanDerWaalsContact C-N 3.26Å; S38-T40 PolarHBondContact O-N 2.85Å; S38-Y41 PolarHBondContact O-N 3.44Å; S38-Y41 WeakPolarHBondContact OG-CD2 3.26Å; S38-G42 WeakPolarHBondContact O-CA 3.28Å; S38-G42 PolarHBondContact O-N 3.3Å; S38-V43 PolarHBondContact N-O 3.35Å; S38-V43 PolarHBondContact O-N 3.49Å; S38-S61 PolarHBondContact OG-OG 2.88Å; S38-F62 WeakPolarHBondContact CA-O 3.13Å
39I97.1Very high96.6Very high10 Ų1038.1 Ų38.15%0.05122%0.217CC..THydrogen-bonded Turntrans-66.7-32.4-177.6-66.4164.9000110.7Y41 G42 F62 R64 W72 Q76 C79I39-Y41 PolarHBondContact O-N 2.72Å; I39-G42 PolarHBondContact O-N 3.3Å; I39-F62 HydrophobicContact CB-CD1 4.11Å; I39-F62 HydrophobicContact CD1-CD1 3.52Å; I39-F62 HydrophobicContact CD1-CE1 3.62Å; I39-F62 HydrophobicContact CG1-CD1 4.35Å; I39-F62 HydrophobicContact CG2-CD1 4.45Å; I39-F62 PolarHBondContact N-O 2.89Å; I39-R64 HydrophobicContact CD1-CB 3.91Å; I39-W72 HydrophobicContact CD1-CE3 4.17Å; I39-W72 HydrophobicContact CD1-CH2 3.76Å; I39-W72 HydrophobicContact CD1-CZ3 3.54Å; I39-W72 HydrophobicContact CG1-CH2 3.75Å; I39-W72 HydrophobicContact CG1-CZ3 3.57Å; I39-Q76 HydrophobicContact CD1-CB 4.21Å; I39-Q76 HydrophobicContact CD1-CG 4.48Å; I39-Q76 HydrophobicContact CG2-CB 3.83Å; I39-Q76 HydrophobicContact CG2-CG 3.91Å; I39-C79 HydrophobicContact CG2-CB 4.46Å
40T96.8Very high96.7Very high29 Ų2934.8 Ų34.818%0.17819%0.194CC..THydrogen-bonded Turntrans-60-30.3179.2-53.40000113.1S38 L60 F62 R115S38-T40 VanDerWaalsContact C-N 3.26Å; S38-T40 PolarHBondContact O-N 2.85Å; T40-L60 WeakPolarHBondContact CG2-O 3.28Å; T40-F62 PolarHBondContact OG1-N 2.78Å; T40-R115 HydrophobicContact CG2-CB 3.57Å; T40-R115 HydrophobicContact CG2-CG 4.47Å; T40-R115 WeakPolarHBondContact O-CA 3.46Å; T40-R115 WeakPolarHBondContact O-CB 3.17Å
41Y97.3Very high96.7Very high1 Ų134.5 Ų34.50%0.00419%0.191CC..THydrogen-bonded Turntrans-118.6-5.4-179.2-53.1-68.8000113.3S38 I39 V43 L60 Y106 A111 Y114 R115S38-Y41 PolarHBondContact O-N 3.44Å; S38-Y41 WeakPolarHBondContact OG-CD2 3.26Å; I39-Y41 PolarHBondContact O-N 2.72Å; Y41-V43 VanDerWaalsContact C-N 3.34Å; Y41-V43 PolarHBondContact O-N 3.02Å; Y41-L60 VanDerWaalsContact CE2-O 3.31Å; Y41-L60 WeakPolarHBondContact CE2-O 3.26Å; Y41-L60 PolarHBondContact OH-O 3.03Å; Y41-Y106 AromaticContact CD2-CD1 3.98Å; Y41-Y106 HydrophobicContact CD2-CD1 3.98Å; Y41-Y106 AromaticContact CD2-CE1 3.89Å; Y41-Y106 HydrophobicContact CD2-CE1 3.89Å; Y41-Y106 HydrophobicContact CE1-CD1 4.36Å; Y41-Y106 AromaticContact CE2-CD1 3.42Å; Y41-Y106 HydrophobicContact CE2-CD1 3.42Å; Y41-Y106 VanDerWaalsContact CE2-CD1 3.42Å; Y41-Y106 AromaticContact CE2-CE1 3.82Å; Y41-Y106 HydrophobicContact CE2-CE1 3.82Å; Y41-Y106 HydrophobicContact CE2-CG 4.24Å; Y41-Y106 HydrophobicContact CG-CE1 4.5Å; Y41-Y106 AromaticContact CZ-CD1 3.64Å; Y41-A111 HydrophobicContact CE1-CB 3.96Å; Y41-A111 WeakPolarHBondContact CE1-O 3.28Å; Y41-Y114 HydrophobicContact CD1-CD1 4.04Å; Y41-Y114 WeakPolarHBondContact O-CE1 3.5Å; Y41-R115 HydrophobicContact CD1-CB 4.08Å; Y41-R115 HydrophobicContact CE1-CB 3.8Å; Y41-R115 HydrophobicContact CE1-CG 4.49Å
42G96.9Very high96.8Very high0 Ų036 Ų360%020%0.196CC..THydrogen-bonded Turntrans67.229.1-17700000114.1S38 I39 G84S38-G42 WeakPolarHBondContact O-CA 3.28Å; S38-G42 PolarHBondContact O-N 3.3Å; I39-G42 PolarHBondContact O-N 3.3Å; G42-G84 WeakPolarHBondContact O-CA 3.45Å; G42-G84 PolarHBondContact O-N 3.19Å
43V97.6Very high96.8Very high0 Ų027.1 Ų27.10%016%0.158CC..EExtended strand (participates in β ladder)trans-113.5153.6-173-60.90000113.4F27 A37 S38 Y41 L45 N85 A88F27-V43 HydrophobicContact CB-CB 4.05Å; F27-V43 HydrophobicContact CB-CG1 4.48Å; F27-V43 HydrophobicContact CB-CG2 4.39Å; F27-V43 HydrophobicContact CD1-CB 4.09Å; F27-V43 HydrophobicContact CD1-CG1 3.99Å; F27-V43 HydrophobicContact CD1-CG2 3.92Å; F27-V43 HydrophobicContact CD2-CG1 4.46Å; F27-V43 HydrophobicContact CE1-CG1 4.34Å; F27-V43 HydrophobicContact CG-CB 4.11Å; F27-V43 HydrophobicContact CG-CG1 4.05Å; F27-V43 HydrophobicContact CG-CG2 4.39Å; A37-V43 CarbonylContact C-O 3.59Å; A37-V43 VanDerWaalsContact CA-O 3.22Å; A37-V43 WeakPolarHBondContact CA-O 3.19Å; S38-V43 PolarHBondContact N-O 3.35Å; S38-V43 PolarHBondContact O-N 3.49Å; Y41-V43 VanDerWaalsContact C-N 3.34Å; Y41-V43 PolarHBondContact O-N 3.02Å; V43-L45 HydrophobicContact CG2-CD2 4.46Å; V43-N85 VanDerWaalsContact CA-OD1 3.29Å; V43-N85 WeakPolarHBondContact CA-OD1 3.34Å; V43-N85 WeakPolarHBondContact CB-OD1 3.49Å; V43-A88 HydrophobicContact CG1-CB 3.37Å
44F98Very high97Very high0 Ų028.3 Ų28.30%015%0.154CC..EExtended strand (participates in β ladder)trans-99135.3178-63.1-91.7000112F14 L17 R18 N23 F27 P34 W36 T66 M80 N85F14-F44 AromaticContact CD1-CE1 3.97Å; F14-F44 HydrophobicContact CD1-CE1 3.97Å; F14-F44 HydrophobicContact CD1-CZ 4.23Å; F14-F44 HydrophobicContact CE1-CE1 4.25Å; F14-F44 HydrophobicContact CE1-CZ 4.42Å; L17-F44 HydrophobicContact CB-CE2 4.34Å; L17-F44 HydrophobicContact CB-CZ 3.74Å; L17-F44 HydrophobicContact CD1-CZ 4.28Å; R18-F44 HydrophobicContact CG-CD1 4.06Å; R18-F44 HydrophobicContact CG-CE1 3.74Å; R18-F44 HydrophobicContact CG-CZ 4.35Å; N23-F44 HydrophobicContact CB-CD2 3.77Å; N23-F44 HydrophobicContact CB-CE2 3.99Å; N23-F44 HydrophobicContact CB-CG 4.45Å; F27-F44 PolarHBondContact N-O 2.96Å; P34-F44 HydrophobicContact CB-CB 3.92Å; P34-F44 HydrophobicContact CG-CB 3.65Å; W36-F44 CarbonylContact O-C 3.57Å; W36-F44 WeakPolarHBondContact O-CA 3.27Å; F44-T66 HydrophobicContact CD1-CG2 4.33Å; F44-T66 HydrophobicContact CE1-CG2 4.05Å; F44-M80 HydrophobicContact CD1-CE 4.25Å; F44-M80 HydrophobicContact CD2-CE 4.02Å; F44-M80 HydrophobicContact CE1-CE 3.9Å; F44-M80 HydrophobicContact CE2-CE 3.63Å; F44-M80 HydrophobicContact CG-CE 4.31Å; F44-M80 HydrophobicContact CZ-CE 3.55Å; F44-N85 PolarHBondContact N-OD1 3.38Å; F44-N85 PolarHBondContact O-ND2 3.09Å
45L97.6Very high97Very high0 Ų033 Ų330%019%0.187CC..EExtended strand (participates in β ladder)trans-130152.2-173.1-60.1176.4000112.1F27 D28 P34 S35 W36 V43 C49 H53 I63F27-L45 HydrophobicContact CB-CD2 4.21Å; D28-L45 WeakPolarHBondContact OD2-CD2 3.39Å; P34-L45 WeakPolarHBondContact CA-O 3.36Å; P34-L45 WeakPolarHBondContact CB-O 3.5Å; S35-L45 PolarHBondContact N-O 2.84Å; W36-L45 HydrophobicContact CB-CB 4.34Å; W36-L45 WeakPolarHBondContact CB-O 3.34Å; W36-L45 PolarHBondContact N-O 3.16Å; W36-L45 VanDerWaalsContact N-O 3.11Å; W36-L45 PolarHBondContact O-N 2.87Å; V43-L45 HydrophobicContact CG2-CD2 4.46Å; L45-C49 HydrophobicContact CB-CB 4.31Å; L45-C49 HydrophobicContact CD2-CB 4.28Å; L45-H53 HydrophobicContact CD1-CB 4.48Å; L45-I63 HydrophobicContact CD1-CD1 3.71Å
46C97.3Very high96.9Very high10 Ų1032.5 Ų32.57%0.06818%0.182CC..  trans-75.2172.916672.40000111.1C26 A31 D48 C49 S50C26-C46 HydrophobicContact CB-CB 4.21Å; C26-C46 PolarHBondContact SG-N 3.42Å; A31-C46 HydrophobicContact CB-CB 4.04Å; C46-D48 VanDerWaalsContact C-N 3.3Å; C46-D48 PolarHBondContact O-N 3.02Å; C46-D48 PolarHBondContact SG-OD2 3.44Å; C46-C49 PolarHBondContact SG-N 3.33Å; C46-S50 WeakPolarHBondContact O-CB 3.27Å; C46-S50 PolarHBondContact O-N 3.06Å
47I96.3Very high96.8Very high108 Ų10832 Ų3255%0.55419%0.187SC*.Hα-helixtrans-59.1-40.6179.6-171.3166.6000112.4S50 G51I47-S50 WeakPolarHBondContact O-CB 3.31Å; I47-S50 PolarHBondContact O-N 3.06Å; I47-S50 PolarHBondContact O-OG 3.02Å; I47-G51 PolarHBondContact O-N 3.36Å
48D97.2Very high96.7Very high109 Ų10937 Ų3758%0.58322%0.217SC*.Hα-helixtrans-69.9-49.1-175.2-32.9-83.8000111C46 S50 G51 V52C46-D48 VanDerWaalsContact C-N 3.3Å; C46-D48 PolarHBondContact O-N 3.02Å; C46-D48 PolarHBondContact SG-OD2 3.44Å; D48-S50 VanDerWaalsContact C-N 3.26Å; D48-S50 PolarHBondContact O-N 3.27Å; D48-G51 VanDerWaalsContact O-CA 3.32Å; D48-G51 WeakPolarHBondContact O-CA 3.38Å; D48-G51 PolarHBondContact O-N 3.49Å; D48-V52 PolarHBondContact O-N 3.01Å; D48-V52 VanDerWaalsContact O-N 3.08Å
49C97.1Very high96.4Very high16 Ų1643.4 Ų43.411%0.10825%0.247CC..Hα-helixtrans-63.3-32.1172.8-62.50000111.7D28 L45 C46 G51 V52 H53D28-C49 HydrophobicContact CB-CB 4.42Å; L45-C49 HydrophobicContact CB-CB 4.31Å; L45-C49 HydrophobicContact CD2-CB 4.28Å; C46-C49 PolarHBondContact SG-N 3.33Å; C49-G51 PolarHBondContact O-N 3.07Å; C49-V52 PolarHBondContact O-N 3.44Å; C49-H53 PolarHBondContact O-CD2 3.04Å; C49-H53 PolarHBondContact O-N 3.19Å
50S96.7Very high96.3Very high4 Ų443.8 Ų43.83%0.02825%0.248CC..Hα-helixtrans-62.5-31.9170.894.80000112.2C46 I47 D48 R54C46-S50 WeakPolarHBondContact O-CB 3.27Å; C46-S50 PolarHBondContact O-N 3.06Å; I47-S50 WeakPolarHBondContact O-CB 3.31Å; I47-S50 PolarHBondContact O-N 3.06Å; I47-S50 PolarHBondContact O-OG 3.02Å; D48-S50 VanDerWaalsContact C-N 3.26Å; D48-S50 PolarHBondContact O-N 3.27Å; S50-R54 WeakPolarHBondContact O-CD 3.4Å; S50-R54 WeakPolarHBondContact O-CG 3.4Å; S50-R54 PolarHBondContact O-N 3.45Å
51G96.3Very high96.3Very high38 Ų3842.5 Ų42.539%0.39224%0.241SC..Hα-helixtrans-65-50.617100000112.2I47 D48 C49 H53 R54 S55I47-G51 PolarHBondContact O-N 3.36Å; D48-G51 VanDerWaalsContact O-CA 3.32Å; D48-G51 WeakPolarHBondContact O-CA 3.38Å; D48-G51 PolarHBondContact O-N 3.49Å; C49-G51 PolarHBondContact O-N 3.07Å; G51-H53 VanDerWaalsContact C-N 3.3Å; G51-H53 PolarHBondContact O-N 3.43Å; G51-R54 WeakPolarHBondContact O-CB 3.4Å; G51-R54 PolarHBondContact O-N 3.46Å; G51-S55 PolarHBondContact O-N 2.83Å
52V97Very high96.3Very high69 Ų6945.6 Ų45.642%0.41825%0.254SS..Hα-helixtrans-58.7-41.3176.4-178.40000111.5D48 C49 R54 S55 L56 A102D48-V52 PolarHBondContact O-N 3.01Å; D48-V52 VanDerWaalsContact O-N 3.08Å; C49-V52 PolarHBondContact O-N 3.44Å; V52-R54 PolarHBondContact O-N 3.38Å; V52-S55 PolarHBondContact O-N 3.36Å; V52-S55 PolarHBondContact O-OG 3.08Å; V52-L56 PolarHBondContact O-N 3.24Å; V52-A102 HydrophobicContact CG1-CB 3.59Å
53H96.9Very high96.3Very high1 Ų146.5 Ų46.51%0.00526%0.259CS..Hα-helixtrans-67.9-20.1175.8-83.4-118.1000114.3D28 L45 C49 G51 S61 I63 Y106D28-H53 IonicContact OD2-CD2 2.69Å; D28-H53 IonicContact OD2-NE2 2.72Å; D28-H53 PolarHBondContact OD2-NE2 2.93Å; D28-H53 VanDerWaalsContact OD2-NE2 3.12Å; L45-H53 HydrophobicContact CD1-CB 4.48Å; C49-H53 PolarHBondContact O-CD2 3.04Å; C49-H53 PolarHBondContact O-N 3.19Å; G51-H53 VanDerWaalsContact C-N 3.3Å; G51-H53 PolarHBondContact O-N 3.43Å; H53-S61 VanDerWaalsContact ND1-CB 3.32Å; H53-S61 WeakPolarHBondContact ND1-CB 3.21Å; H53-S61 PolarHBondContact ND1-OG 3.32Å; H53-I63 HydrophobicContact CB-CD1 3.51Å; H53-I63 HydrophobicContact CB-CG1 3.44Å; H53-I63 VanDerWaalsContact CB-CG1 3.44Å; H53-Y106 AromaticContact CE1-CD2 3.82Å; H53-Y106 AromaticContact CE1-CE1 3.82Å; H53-Y106 AromaticContact CE1-CE2 3.25Å; H53-Y106 WeakPolarHBondContact CE1-CE2 3.41Å; H53-Y106 AromaticContact CE1-CZ 3.23Å; H53-Y106 PolarHBondContact CE1-OH 3.26Å; H53-Y106 AromaticContact NE2-CD2 3.84Å; H53-Y106 AromaticContact NE2-CE2 3.03Å; H53-Y106 WeakPolarHBondContact NE2-CE2 3.49Å; H53-Y106 AromaticContact NE2-CZ 3.32Å; H53-Y106 VanDerWaalsContact NE2-CZ 3.32Å; H53-Y106 PolarHBondContact NE2-OH 2.9Å
54R96.3Very high96.2Very high139 Ų13947.8 Ų47.853%0.52526%0.264SS..Hα-helixtrans-75.5-34.8175-72.7159.4-176.8-80.33.4111.8W36 S50 G51 V52 G57W36-R54 VanDerWaalsContact CH2-NH2 3.29Å; S50-R54 WeakPolarHBondContact O-CD 3.4Å; S50-R54 WeakPolarHBondContact O-CG 3.4Å; S50-R54 PolarHBondContact O-N 3.45Å; G51-R54 WeakPolarHBondContact O-CB 3.4Å; G51-R54 PolarHBondContact O-N 3.46Å; V52-R54 PolarHBondContact O-N 3.38Å; R54-G57 PolarHBondContact O-N 3.44Å; R54-G57 VanDerWaalsContact O-N 3.15Å
55S96.1Very high96.1Very high101 Ų10147.8 Ų47.871%0.70626%0.264SS*.Hα-helixtrans-73-2617558.30000113.1G51 V52 G57G51-S55 PolarHBondContact O-N 2.83Å; V52-S55 PolarHBondContact O-N 3.36Å; V52-S55 PolarHBondContact O-OG 3.08Å; S55-G57 PolarHBondContact O-N 3.3Å
56L94.6Very high95.9Very high17 Ų1748.2 Ų48.29%0.08927%0.266CS..THydrogen-bonded Turntrans-65.7-21167.4-61.5179.6000113.3V52 L60 A102 N103 Y106V52-L56 PolarHBondContact O-N 3.24Å; L56-L60 HydrophobicContact CB-CB 4.22Å; L56-L60 HydrophobicContact CB-CD1 4.15Å; L56-L60 HydrophobicContact CD2-CD1 4.5Å; L56-A102 HydrophobicContact CD1-CB 4.44Å; L56-N103 HydrophobicContact CD2-CB 4.18Å; L56-Y106 HydrophobicContact CD1-CD2 3.76Å; L56-Y106 HydrophobicContact CD1-CG 4.25Å
57G95Very high95.7Very high21 Ų2152.6 Ų52.622%0.21629%0.286CS..  trans78.7158.1177.800000115.3R54 S55 H59 L60 S61R54-G57 PolarHBondContact O-N 3.44Å; R54-G57 VanDerWaalsContact O-N 3.15Å; S55-G57 PolarHBondContact O-N 3.3Å; G57-H59 PolarHBondContact O-N 3.29Å; G57-H59 VanDerWaalsContact O-N 3.11Å; G57-L60 PolarHBondContact O-N 2.96Å; G57-S61 PolarHBondContact O-N 3.25Å
58V95.4Very high95.4Very high103 Ų10354.1 Ų54.162%0.62430%0.295SS*.THydrogen-bonded Turntrans-56-31.3-172.555.80000114.7L60 S61 F62V58-L60 VanDerWaalsContact C-N 3.33Å; V58-L60 PolarHBondContact O-N 3.03Å; V58-S61 CarbonylContact O-C 3.6Å; V58-F62 HydrophobicContact CG2-CB 4.22Å; V58-F62 HydrophobicContact CG2-CD2 3.68Å; V58-F62 HydrophobicContact CG2-CE2 4.5Å; V58-F62 HydrophobicContact CG2-CG 4.28Å
59H92Very high95.2Very high136 Ų13652 Ų5263%0.6328%0.283SS*.THydrogen-bonded Turntrans-74.2-21.7-178.470.7-82000113.6G57 R115G57-H59 PolarHBondContact O-N 3.29Å; G57-H59 VanDerWaalsContact O-N 3.11Å; H59-R115 PolarHBondContact O-NH1 3.24Å; H59-R115 VanDerWaalsContact O-NH1 3.12Å
60L94.1Very high94.8Very high17 Ų1754.7 Ų54.79%0.08930%0.302CS..THydrogen-bonded Turntrans-94.7-41.9168.3-66.9-178.2000111.5T40 Y41 L56 G57 V58 N107T40-L60 WeakPolarHBondContact CG2-O 3.28Å; Y41-L60 VanDerWaalsContact CE2-O 3.31Å; Y41-L60 WeakPolarHBondContact CE2-O 3.26Å; Y41-L60 PolarHBondContact OH-O 3.03Å; L56-L60 HydrophobicContact CB-CB 4.22Å; L56-L60 HydrophobicContact CB-CD1 4.15Å; L56-L60 HydrophobicContact CD2-CD1 4.5Å; G57-L60 PolarHBondContact O-N 2.96Å; V58-L60 VanDerWaalsContact C-N 3.33Å; V58-L60 PolarHBondContact O-N 3.03Å; L60-N107 WeakPolarHBondContact CD1-OD1 3.21Å
61S96.1Very high94.7Very high2 Ų259.2 Ų59.21%0.01433%0.326CS..  trans-149.3115-179.9173.80000112.9S38 H53 G57 V58 I63S38-S61 PolarHBondContact OG-OG 2.88Å; H53-S61 VanDerWaalsContact ND1-CB 3.32Å; H53-S61 WeakPolarHBondContact ND1-CB 3.21Å; H53-S61 PolarHBondContact ND1-OG 3.32Å; G57-S61 PolarHBondContact O-N 3.25Å; V58-S61 CarbonylContact O-C 3.6Å; S61-I63 PolarHBondContact O-N 3.28Å; S61-I63 VanDerWaalsContact OG-CD1 3.31Å; S61-I63 WeakPolarHBondContact OG-CD1 3.44Å
62F96.8Very high94.5Very high67 Ų6757.5 Ų57.529%0.29431%0.308SS..  trans-85.1110168.7-173-127.8000110.6S38 I39 T40 V58S38-F62 WeakPolarHBondContact CA-O 3.13Å; I39-F62 HydrophobicContact CB-CD1 4.11Å; I39-F62 HydrophobicContact CD1-CD1 3.52Å; I39-F62 HydrophobicContact CD1-CE1 3.62Å; I39-F62 HydrophobicContact CG1-CD1 4.35Å; I39-F62 HydrophobicContact CG2-CD1 4.45Å; I39-F62 PolarHBondContact N-O 2.89Å; T40-F62 PolarHBondContact OG1-N 2.78Å; V58-F62 HydrophobicContact CG2-CB 4.22Å; V58-F62 HydrophobicContact CG2-CD2 3.68Å; V58-F62 HydrophobicContact CG2-CE2 4.5Å; V58-F62 HydrophobicContact CG2-CG 4.28Å
63I97.4Very high94.4Very high18 Ų1857.5 Ų57.59%0.09231%0.305CS..EExtended strand (participates in β ladder)trans-96.3137.4-178.1-66.9-55000111.6W36 A37 L45 H53 S61W36-I63 HydrophobicContact CE3-CG2 3.7Å; W36-I63 HydrophobicContact CZ3-CG2 4.25Å; A37-I63 WeakPolarHBondContact O-CA 3.4Å; L45-I63 HydrophobicContact CD1-CD1 3.71Å; H53-I63 HydrophobicContact CB-CD1 3.51Å; H53-I63 HydrophobicContact CB-CG1 3.44Å; H53-I63 VanDerWaalsContact CB-CG1 3.44Å; S61-I63 PolarHBondContact O-N 3.28Å; S61-I63 VanDerWaalsContact OG-CD1 3.31Å; S61-I63 WeakPolarHBondContact OG-CD1 3.44Å
64R96.2Very high94.2Very high27 Ų2758 Ų5810%0.10231%0.307CS..EExtended strand (participates in β ladder)trans-147.5152.3171.4-167.7176.4-82.7157-18.2111.5W36 A37 I39 D69 N71 W72W36-R64 VanDerWaalsContact CE3-C 3.45Å; A37-R64 PolarHBondContact N-O 3.5Å; A37-R64 PolarHBondContact O-N 3.34Å; I39-R64 HydrophobicContact CD1-CB 3.91Å; R64-D69 HydrophobicContact CG-CB 3.43Å; R64-D69 VanDerWaalsContact CG-CB 3.43Å; R64-D69 VanDerWaalsContact CG-CG 3.4Å; R64-D69 WeakPolarHBondContact CG-OD2 3.49Å; R64-N71 WeakPolarHBondContact CD-O 3.42Å; R64-N71 PolarHBondContact NE-O 3.09Å; R64-N71 VanDerWaalsContact NE-O 3.17Å; R64-N71 PolarHBondContact NH1-O 3.3Å; R64-N71 VanDerWaalsContact NH1-O 3.09Å; R64-N71 PolarHBondContact NH2-O 3.34Å; R64-N71 VanDerWaalsContact NH2-O 3.09Å; R64-W72 HydrophobicContact CB-CH2 4.12Å; R64-W72 HydrophobicContact CB-CZ2 3.77Å; R64-W72 HydrophobicContact CG-CH2 4.48Å; R64-W72 HydrophobicContact CG-CZ2 3.71Å
65S95.4Very high94.1Very high1 Ų154 Ų541%0.00729%0.294CS..EExtended strand (participates in β ladder)trans-77.8142.9172.7-1780000110.9S35 W36 E67 L68 D69 W72S35-S65 PolarHBondContact O-OG 3.06Å; W36-S65 VanDerWaalsContact CE3-N 3.34Å; S65-E67 VanDerWaalsContact C-N 3.31Å; S65-E67 PolarHBondContact OG-N 3.43Å; S65-E67 VanDerWaalsContact OG-N 3.14Å; S65-L68 PolarHBondContact OG-N 2.88Å; S65-D69 WeakPolarHBondContact CA-OD2 3.46Å; S65-D69 VanDerWaalsContact CB-OD2 3.25Å; S65-D69 WeakPolarHBondContact CB-OD2 3.43Å; S65-D69 PolarHBondContact N-OD2 2.79Å; S65-W72 WeakPolarHBondContact O-CZ2 3.47Å; S65-W72 PolarHBondContact O-NE1 3.43Å
66T94.3Very high94.1Very high8 Ų850.8 Ų50.85%0.04927%0.267CS..SBendtrans-87.4-2.7172.264.90000112.9F14 S35 A37 F44 W72F14-T66 HydrophobicContact CD1-CG2 3.71Å; F14-T66 HydrophobicContact CD2-CG2 4.23Å; F14-T66 HydrophobicContact CE1-CG2 3.64Å; F14-T66 HydrophobicContact CE2-CG2 4.15Å; F14-T66 HydrophobicContact CG-CG2 4.04Å; F14-T66 HydrophobicContact CZ-CG2 3.88Å; S35-T66 PolarHBondContact O-N 3.49Å; S35-T66 PolarHBondContact O-OG1 3.49Å; S35-T66 VanDerWaalsContact O-OG1 3.12Å; A37-T66 HydrophobicContact CB-CG2 3.81Å; F44-T66 HydrophobicContact CD1-CG2 4.33Å; F44-T66 HydrophobicContact CE1-CG2 4.05Å; T66-W72 HydrophobicContact CG2-CZ2 4.44Å
67E91.6Very high94.1Very high103 Ų10350 Ų5048%0.48126%0.263SS..SBendtrans-122.4-40.7-173.7-65.8175.616700112.4R18 S35 S65R18-E67 IonicContact CZ-OE1 3.14Å; R18-E67 IonicContact NH1-OE1 2.8Å; R18-E67 PolarHBondContact NH1-OE1 3.44Å; R18-E67 IonicContact NH2-OE1 2.69Å; R18-E67 PolarHBondContact NH2-OE1 3.12Å; S35-E67 WeakPolarHBondContact CB-OE2 3.33Å; S65-E67 VanDerWaalsContact C-N 3.31Å; S65-E67 PolarHBondContact OG-N 3.43Å; S65-E67 VanDerWaalsContact OG-N 3.14Å
68L92Very high94Very high140 Ų14049 Ų4973%0.73325%0.253SS*.SBendtrans-91.1-41-175.5-57.2175.5000113.2S65 S70S65-L68 PolarHBondContact OG-N 2.88Å; L68-S70 PolarHBondContact O-N 3Å
69D91.4Very high94Very high64 Ų6444.2 Ų44.234%0.34222%0.224SC..  trans-82.9116.8-176.6-68.6-74.6000111.3R64 S65 W72R64-D69 HydrophobicContact CG-CB 3.43Å; R64-D69 VanDerWaalsContact CG-CB 3.43Å; R64-D69 VanDerWaalsContact CG-CG 3.4Å; R64-D69 WeakPolarHBondContact CG-OD2 3.49Å; S65-D69 WeakPolarHBondContact CA-OD2 3.46Å; S65-D69 VanDerWaalsContact CB-OD2 3.25Å; S65-D69 WeakPolarHBondContact CB-OD2 3.43Å; S65-D69 PolarHBondContact N-OD2 2.79Å; D69-W72 PolarHBondContact O-NE1 2.71Å; D69-W72 VanDerWaalsContact O-NE1 3.11Å
70S90.1Very high94.2Very high73 Ų7337.8 Ų37.851%0.5119%0.194SC..  trans-90.1-1817257.10000114.1I10 L68 W72I10-S70 VanDerWaalsContact CD1-O 3.23Å; I10-S70 WeakPolarHBondContact CD1-O 3.37Å; L68-S70 PolarHBondContact O-N 3Å; S70-W72 PolarHBondContact O-N 2.88Å; S70-W72 VanDerWaalsContact O-N 3.14Å
71N92.7Very high94.2Very high98 Ų9838.2 Ų38.252%0.52420%0.196SC..  trans-79.294.6175.5-179.8-31.6000109.1R64R64-N71 WeakPolarHBondContact CD-O 3.42Å; R64-N71 PolarHBondContact NE-O 3.09Å; R64-N71 VanDerWaalsContact NE-O 3.17Å; R64-N71 PolarHBondContact NH1-O 3.3Å; R64-N71 VanDerWaalsContact NH1-O 3.09Å; R64-N71 PolarHBondContact NH2-O 3.34Å; R64-N71 VanDerWaalsContact NH2-O 3.09Å
72W93.8Very high94.1Very high2 Ų239.4 Ų39.41%0.00820%0.203CC..  trans-126.5141.8171.7-78.181.7000109.7P5 I10 F14 A37 I39 R64 S65 T66 D69 S70 Q76 L77 M80P5-W72 WeakPolarHBondContact CD-O 3.44Å; P5-W72 WeakPolarHBondContact CG-O 3.38Å; I10-W72 HydrophobicContact CD1-CB 3.9Å; I10-W72 HydrophobicContact CD1-CG 4.44Å; I10-W72 HydrophobicContact CG1-CB 4.22Å; I10-W72 HydrophobicContact CG2-CG 4.24Å; F14-W72 HydrophobicContact CE1-CH2 4.4Å; F14-W72 HydrophobicContact CE2-CD2 4.03Å; F14-W72 AromaticContact CE2-CE2 3.68Å; F14-W72 HydrophobicContact CE2-CE3 4.37Å; F14-W72 HydrophobicContact CE2-CH2 4.16Å; F14-W72 AromaticContact CE2-CZ2 3.77Å; F14-W72 HydrophobicContact CE2-CZ2 3.77Å; F14-W72 HydrophobicContact CE2-CZ3 4.42Å; F14-W72 HydrophobicContact CZ-CD2 4.14Å; F14-W72 AromaticContact CZ-CE2 3.88Å; F14-W72 HydrophobicContact CZ-CE3 4.04Å; F14-W72 AromaticContact CZ-CH2 3.5Å; F14-W72 HydrophobicContact CZ-CH2 3.5Å; F14-W72 VanDerWaalsContact CZ-CH2 3.5Å; F14-W72 AromaticContact CZ-CZ2 3.58Å; F14-W72 HydrophobicContact CZ-CZ2 3.58Å; F14-W72 AromaticContact CZ-CZ3 3.71Å; F14-W72 HydrophobicContact CZ-CZ3 3.71Å; A37-W72 HydrophobicContact CB-CH2 4.24Å; I39-W72 HydrophobicContact CD1-CE3 4.17Å; I39-W72 HydrophobicContact CD1-CH2 3.76Å; I39-W72 HydrophobicContact CD1-CZ3 3.54Å; I39-W72 HydrophobicContact CG1-CH2 3.75Å; I39-W72 HydrophobicContact CG1-CZ3 3.57Å; R64-W72 HydrophobicContact CB-CH2 4.12Å; R64-W72 HydrophobicContact CB-CZ2 3.77Å; R64-W72 HydrophobicContact CG-CH2 4.48Å; R64-W72 HydrophobicContact CG-CZ2 3.71Å; S65-W72 WeakPolarHBondContact O-CZ2 3.47Å; S65-W72 PolarHBondContact O-NE1 3.43Å; T66-W72 HydrophobicContact CG2-CZ2 4.44Å; D69-W72 PolarHBondContact O-NE1 2.71Å; D69-W72 VanDerWaalsContact O-NE1 3.11Å; S70-W72 PolarHBondContact O-N 2.88Å; S70-W72 VanDerWaalsContact O-N 3.14Å; W72-Q76 HydrophobicContact CE3-CB 3.9Å; W72-Q76 HydrophobicContact CZ3-CB 4.18Å; W72-L77 HydrophobicContact CB-CD2 3.96Å; W72-L77 HydrophobicContact CB-CG 4.31Å; W72-L77 HydrophobicContact CD2-CD2 3.93Å; W72-L77 HydrophobicContact CE3-CD2 3.67Å; W72-L77 HydrophobicContact CE3-CG 4.49Å; W72-L77 HydrophobicContact CG-CD2 4.08Å; W72-L77 HydrophobicContact CZ3-CD2 4.45Å; W72-M80 HydrophobicContact CH2-CG 4.39Å; W72-M80 HydrophobicContact CZ3-CG 4.08Å
73N93.8Very high94.1Very high70 Ų7036.4 Ų36.437%0.37419%0.191SC..  trans-95.7144.9171-178.5-53.7000109.9F75 Q76 L77N73-F75 PolarHBondContact O-N 3.16Å; N73-F75 VanDerWaalsContact O-N 3.16Å; N73-F75 WeakPolarHBondContact OD1-CB 3.39Å; N73-F75 PolarHBondContact OD1-N 3.46Å; N73-Q76 HydrophobicContact CB-CG 4.15Å; N73-Q76 WeakPolarHBondContact O-CA 3.22Å; N73-Q76 WeakPolarHBondContact O-CB 3.5Å; N73-Q76 PolarHBondContact O-N 2.93Å; N73-L77 PolarHBondContact O-N 2.95Å; N73-L77 VanDerWaalsContact O-N 3.09Å
74W92.9Very high94Very high11 Ų1135.9 Ų35.94%0.04219%0.19CC..Hα-helixtrans-46.6-42.8174.4-74.5107.7000114A3 P5 Q76 L77 R78 L126 T131 L133A3-W74 PolarHBondContact O-NE1 3.35Å; P5-W74 HydrophobicContact CB-CD2 4.01Å; P5-W74 HydrophobicContact CB-CE3 4.42Å; P5-W74 HydrophobicContact CB-CH2 4.08Å; P5-W74 HydrophobicContact CB-CZ2 3.63Å; P5-W74 HydrophobicContact CB-CZ3 4.46Å; P5-W74 HydrophobicContact CG-CD2 4.37Å; P5-W74 HydrophobicContact CG-CG 4.47Å; W74-Q76 VanDerWaalsContact C-N 3.26Å; W74-Q76 PolarHBondContact O-N 3.31Å; W74-L77 HydrophobicContact CE3-CD1 4.17Å; W74-L77 HydrophobicContact CZ3-CD1 4.41Å; W74-L77 WeakPolarHBondContact O-CB 3.28Å; W74-L77 PolarHBondContact O-N 3.47Å; W74-R78 WeakPolarHBondContact O-CG 3.49Å; W74-R78 PolarHBondContact O-N 3.49Å; W74-L126 HydrophobicContact CB-CD1 3.72Å; W74-T131 HydrophobicContact CG-CG2 4.22Å; W74-T131 VanDerWaalsContact CH2-O 3.24Å; W74-T131 WeakPolarHBondContact CH2-O 3.45Å; W74-T131 WeakPolarHBondContact CZ2-O 3.39Å; W74-L133 HydrophobicContact CH2-CD2 3.95Å; W74-L133 HydrophobicContact CH2-CG 4.18Å; W74-L133 HydrophobicContact CZ3-CD2 4.02Å
75F94.4Very high93.9Very high54 Ų5434.9 Ų34.924%0.23719%0.187CC..Hα-helixtrans-54.3-43.7175.4174-104.9000112.3N73 R78 C79 R119 S123 L126N73-F75 PolarHBondContact O-N 3.16Å; N73-F75 VanDerWaalsContact O-N 3.16Å; N73-F75 WeakPolarHBondContact OD1-CB 3.39Å; N73-F75 PolarHBondContact OD1-N 3.46Å; F75-R78 WeakPolarHBondContact O-CB 3.4Å; F75-R78 PolarHBondContact O-N 2.86Å; F75-C79 VanDerWaalsContact CZ-SG 3.58Å; F75-C79 PolarHBondContact O-N 2.87Å; F75-C79 PolarHBondContact O-SG 2.92Å; F75-C79 VanDerWaalsContact O-SG 3.34Å; F75-R119 HydrophobicContact CE2-CG 4.44Å; F75-R119 HydrophobicContact CZ-CG 3.69Å; F75-S123 WeakPolarHBondContact CE2-OG 3.47Å; F75-L126 HydrophobicContact CB-CD2 4.03Å; F75-L126 HydrophobicContact CD2-CD2 4.37Å
76Q95.3Very high93.9Very high34 Ų3436.9 Ų36.916%0.15920%0.204CC..Hα-helixtrans-72.8-34.9-177.2-57.2168.3-36.400110.8I39 W72 N73 W74 C79 M80I39-Q76 HydrophobicContact CD1-CB 4.21Å; I39-Q76 HydrophobicContact CD1-CG 4.48Å; I39-Q76 HydrophobicContact CG2-CB 3.83Å; I39-Q76 HydrophobicContact CG2-CG 3.91Å; W72-Q76 HydrophobicContact CE3-CB 3.9Å; W72-Q76 HydrophobicContact CZ3-CB 4.18Å; N73-Q76 HydrophobicContact CB-CG 4.15Å; N73-Q76 WeakPolarHBondContact O-CA 3.22Å; N73-Q76 WeakPolarHBondContact O-CB 3.5Å; N73-Q76 PolarHBondContact O-N 2.93Å; W74-Q76 VanDerWaalsContact C-N 3.26Å; W74-Q76 PolarHBondContact O-N 3.31Å; Q76-C79 PolarHBondContact O-N 2.94Å; Q76-M80 WeakPolarHBondContact O-CG 3.44Å; Q76-M80 PolarHBondContact O-N 2.95Å
77L94.4Very high94Very high0 Ų040.9 Ų40.90%023%0.225CC..Hα-helixtrans-63.4-42.5168.9-61.1-177.2000111.5P5 I10 L13 F14 W72 N73 W74 C79 M80 Q81P5-L77 HydrophobicContact CB-CD1 3.73Å; P5-L77 HydrophobicContact CG-CD1 3.68Å; I10-L77 HydrophobicContact CG1-CD1 4.14Å; I10-L77 HydrophobicContact CG1-CD2 4.48Å; I10-L77 HydrophobicContact CG2-CD2 4.42Å; L13-L77 HydrophobicContact CD2-CB 3.76Å; L13-L77 HydrophobicContact CD2-CD1 4.31Å; L13-L77 HydrophobicContact CD2-CD2 4.21Å; L13-L77 HydrophobicContact CD2-CG 4.31Å; F14-L77 HydrophobicContact CE2-CD2 3.93Å; F14-L77 HydrophobicContact CZ-CD2 3.96Å; W72-L77 HydrophobicContact CB-CD2 3.96Å; W72-L77 HydrophobicContact CB-CG 4.31Å; W72-L77 HydrophobicContact CD2-CD2 3.93Å; W72-L77 HydrophobicContact CE3-CD2 3.67Å; W72-L77 HydrophobicContact CE3-CG 4.49Å; W72-L77 HydrophobicContact CG-CD2 4.08Å; W72-L77 HydrophobicContact CZ3-CD2 4.45Å; N73-L77 PolarHBondContact O-N 2.95Å; N73-L77 VanDerWaalsContact O-N 3.09Å; W74-L77 HydrophobicContact CE3-CD1 4.17Å; W74-L77 HydrophobicContact CZ3-CD1 4.41Å; W74-L77 WeakPolarHBondContact O-CB 3.28Å; W74-L77 PolarHBondContact O-N 3.47Å; L77-C79 PolarHBondContact O-N 2.88Å; L77-M80 PolarHBondContact O-N 3.39Å; L77-M80 VanDerWaalsContact O-N 3.17Å; L77-Q81 WeakPolarHBondContact O-CG 3.3Å; L77-Q81 PolarHBondContact O-N 3.06Å; L77-Q81 VanDerWaalsContact O-N 3.08Å
78R94.4Very high94.2Very high2 Ų236 Ų361%0.00820%0.202CC..Hα-helixtrans-61.5-41.7174.5-61.9-42.4179.2-164.5-5.4112.2W74 F75 M80 Q81 V82 A125 L126 G130 D132W74-R78 WeakPolarHBondContact O-CG 3.49Å; W74-R78 PolarHBondContact O-N 3.49Å; F75-R78 WeakPolarHBondContact O-CB 3.4Å; F75-R78 PolarHBondContact O-N 2.86Å; R78-M80 PolarHBondContact O-N 2.97Å; R78-Q81 WeakPolarHBondContact O-CB 3.24Å; R78-Q81 PolarHBondContact O-N 3.29Å; R78-V82 WeakPolarHBondContact O-CG2 3.4Å; R78-V82 PolarHBondContact O-N 3.36Å; R78-A125 HydrophobicContact CB-CB 4.07Å; R78-A125 HydrophobicContact CG-CB 4.1Å; R78-L126 HydrophobicContact CG-CB 4.17Å; R78-L126 HydrophobicContact CG-CD1 4.43Å; R78-G130 PolarHBondContact NH2-O 3.36Å; R78-D132 PolarHBondContact NH1-O 3.32Å; R78-D132 PolarHBondContact NH2-O 3.14Å
79C96Very high94.4Very high2 Ų231.5 Ų31.51%0.01418%0.18CC..Hα-helixtrans-56-39174.1-68.80000112.5I39 F75 Q76 L77 G83 I118I39-C79 HydrophobicContact CG2-CB 4.46Å; F75-C79 VanDerWaalsContact CZ-SG 3.58Å; F75-C79 PolarHBondContact O-N 2.87Å; F75-C79 PolarHBondContact O-SG 2.92Å; F75-C79 VanDerWaalsContact O-SG 3.34Å; Q76-C79 PolarHBondContact O-N 2.94Å; L77-C79 PolarHBondContact O-N 2.88Å; C79-G83 PolarHBondContact O-N 2.89Å; C79-G83 VanDerWaalsContact O-N 3.08Å; C79-I118 HydrophobicContact CB-CG2 3.76Å
80M95.9Very high94.6Very high1 Ų130.5 Ų30.51%0.00518%0.181CC..Hα-helixtrans-73-25.5175.2-61.4-55.9-52.900113.4F14 L17 A37 F44 W72 Q76 L77 R78F14-M80 HydrophobicContact CE1-CB 4.11Å; F14-M80 HydrophobicContact CE1-CG 3.96Å; F14-M80 HydrophobicContact CZ-CG 4.24Å; L17-M80 HydrophobicContact CD1-CB 3.93Å; A37-M80 HydrophobicContact CB-CE 3.62Å; A37-M80 HydrophobicContact CB-SD 3.84Å; F44-M80 HydrophobicContact CD1-CE 4.25Å; F44-M80 HydrophobicContact CD2-CE 4.02Å; F44-M80 HydrophobicContact CE1-CE 3.9Å; F44-M80 HydrophobicContact CE2-CE 3.63Å; F44-M80 HydrophobicContact CG-CE 4.31Å; F44-M80 HydrophobicContact CZ-CE 3.55Å; W72-M80 HydrophobicContact CH2-CG 4.39Å; W72-M80 HydrophobicContact CZ3-CG 4.08Å; Q76-M80 WeakPolarHBondContact O-CG 3.44Å; Q76-M80 PolarHBondContact O-N 2.95Å; L77-M80 PolarHBondContact O-N 3.39Å; L77-M80 VanDerWaalsContact O-N 3.17Å; R78-M80 PolarHBondContact O-N 2.97Å
81Q93.3Very high94.9Very high25 Ų2527.8 Ų27.812%0.11716%0.16CC..Hα-helixtrans-76.5-43.9174.4-70.1-174.7-55.700113.1L13 L17 L77 R78 W134L13-Q81 HydrophobicContact CD1-CG 3.81Å; L13-Q81 VanDerWaalsContact CD1-NE2 3.32Å; L13-Q81 HydrophobicContact CD2-CG 4.1Å; L17-Q81 HydrophobicContact CD1-CG 4.43Å; L77-Q81 WeakPolarHBondContact O-CG 3.3Å; L77-Q81 PolarHBondContact O-N 3.06Å; L77-Q81 VanDerWaalsContact O-N 3.08Å; R78-Q81 WeakPolarHBondContact O-CB 3.24Å; R78-Q81 PolarHBondContact O-N 3.29Å; Q81-W134 PolarHBondContact NE2-O 3.34Å
82V94.8Very high95Very high28 Ų2823.4 Ų23.417%0.1714%0.136CC..Hα-helixtrans-82.8-18.7-177.3-57.90000112.9R78 I118 L121 A125R78-V82 WeakPolarHBondContact O-CG2 3.4Å; R78-V82 PolarHBondContact O-N 3.36Å; V82-I118 HydrophobicContact CG2-CD1 4.23Å; V82-L121 HydrophobicContact CB-CB 3.86Å; V82-L121 HydrophobicContact CB-CD1 4.5Å; V82-L121 HydrophobicContact CG1-CB 4.15Å; V82-L121 HydrophobicContact CG2-CB 3.63Å; V82-A125 HydrophobicContact CG1-CB 3.97Å
83G95.1Very high95Very high3 Ų331.7 Ų31.73%0.03117%0.168CC..  trans-82.7-116174.300000112.5C79 N87 I118C79-G83 PolarHBondContact O-N 2.89Å; C79-G83 VanDerWaalsContact O-N 3.08Å; G83-N87 WeakPolarHBondContact O-CB 3.37Å; G83-N87 PolarHBondContact O-ND2 3.03Å; G83-I118 VanDerWaalsContact CA-CD1 3.5Å
84G95.3Very high95.1Very high8 Ų835.1 Ų35.18%0.08218%0.181CC..  trans86.2151.2-171.700000113G42 A86 N87 A88G42-G84 WeakPolarHBondContact O-CA 3.45Å; G42-G84 PolarHBondContact O-N 3.19Å; G84-A86 VanDerWaalsContact C-N 3.28Å; G84-A86 PolarHBondContact O-N 3.13Å; G84-N87 PolarHBondContact O-N 2.69Å; G84-A88 PolarHBondContact O-N 2.79Å; G84-A88 VanDerWaalsContact O-N 3.14Å
85N96.1Very high95.1Very high5 Ų538.6 Ų38.63%0.02720%0.198CC..Hα-helixtrans-67.1-29.4-170.2-70.28.3000112.4T22 N23 A25 V43 F44 T89T22-N85 WeakPolarHBondContact O-CB 3.33Å; N23-N85 PolarHBondContact OD1-N 2.96Å; A25-N85 PolarHBondContact O-ND2 2.85Å; V43-N85 VanDerWaalsContact CA-OD1 3.29Å; V43-N85 WeakPolarHBondContact CA-OD1 3.34Å; V43-N85 WeakPolarHBondContact CB-OD1 3.49Å; F44-N85 PolarHBondContact N-OD1 3.38Å; F44-N85 PolarHBondContact O-ND2 3.09Å; N85-T89 VanDerWaalsContact O-CB 3.29Å; N85-T89 WeakPolarHBondContact O-CB 3.3Å; N85-T89 PolarHBondContact O-N 2.81Å; N85-T89 PolarHBondContact O-OG1 2.74Å
86A95.4Very high94.9Very high44 Ų4439.2 Ų39.236%0.36422%0.219SC..Hα-helixtrans-63-50.9173.700000112.2T22 G84 A88 T89 A90T22-A86 HydrophobicContact CG2-CB 4.11Å; G84-A86 VanDerWaalsContact C-N 3.28Å; G84-A86 PolarHBondContact O-N 3.13Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A88 PolarHBondContact O-N 2.85Å; A86-T89 PolarHBondContact O-N 2.94Å; A86-A90 WeakPolarHBondContact O-CB 3.31Å; A86-A90 PolarHBondContact O-N 2.94Å
87N95.8Very high94.6Very high92 Ų9238.4 Ų38.449%0.49222%0.217SC..Hα-helixtrans-64.6-38.9-178.8-71.6-23.8000111.6G83 G84 F91G83-N87 WeakPolarHBondContact O-CB 3.37Å; G83-N87 PolarHBondContact O-ND2 3.03Å; G84-N87 PolarHBondContact O-N 2.69Å; N87-F91 VanDerWaalsContact O-CB 3.28Å; N87-F91 WeakPolarHBondContact O-CB 3.11Å; N87-F91 PolarHBondContact O-N 3.4Å
88A96Very high94.3Very high0 Ų043.7 Ų43.70%025%0.25CC..Hα-helixtrans-63-48.517300000111.8F27 V43 G84 A86 A90 F91 F92 Y114F27-A88 HydrophobicContact CD2-CB 4.13Å; F27-A88 HydrophobicContact CE1-CB 4.42Å; F27-A88 HydrophobicContact CE2-CB 3.61Å; F27-A88 HydrophobicContact CZ-CB 3.78Å; V43-A88 HydrophobicContact CG1-CB 3.37Å; G84-A88 PolarHBondContact O-N 2.79Å; G84-A88 VanDerWaalsContact O-N 3.14Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A88 PolarHBondContact O-N 2.85Å; A88-A90 VanDerWaalsContact C-N 3.35Å; A88-A90 PolarHBondContact O-N 3Å; A88-F91 PolarHBondContact O-N 2.93Å; A88-F92 WeakPolarHBondContact O-CB 3.49Å; A88-F92 VanDerWaalsContact O-CD2 3.26Å; A88-F92 WeakPolarHBondContact O-CD2 3.5Å; A88-F92 PolarHBondContact O-N 3.35Å; A88-Y114 WeakPolarHBondContact CA-OH 3.38Å; A88-Y114 HydrophobicContact CB-CD1 4.48Å; A88-Y114 HydrophobicContact CB-CE1 3.58Å; A88-Y114 PolarHBondContact N-OH 2.98Å; A88-Y114 VanDerWaalsContact N-OH 3.1Å
89T95.2Very high94.1Very high46 Ų4645.1 Ų45.128%0.28226%0.261SS..Hα-helixtrans-61-43.1179.8-57.90000111.8N85 A86 R93N85-T89 VanDerWaalsContact O-CB 3.29Å; N85-T89 WeakPolarHBondContact O-CB 3.3Å; N85-T89 PolarHBondContact O-N 2.81Å; N85-T89 PolarHBondContact O-OG1 2.74Å; A86-T89 PolarHBondContact O-N 2.94Å; T89-R93 WeakPolarHBondContact O-CB 3.33Å; T89-R93 WeakPolarHBondContact O-CD 3.04Å; T89-R93 VanDerWaalsContact O-CG 3.24Å; T89-R93 WeakPolarHBondContact O-CG 3.46Å; T89-R93 PolarHBondContact O-N 2.84Å
90A95.7Very high93.7Very high43 Ų4352.3 Ų52.336%0.35530%0.3SS..Hα-helixtrans-63.1-48.4175.400000111.5A86 A88 R93 Q94A86-A90 WeakPolarHBondContact O-CB 3.31Å; A86-A90 PolarHBondContact O-N 2.94Å; A88-A90 VanDerWaalsContact C-N 3.35Å; A88-A90 PolarHBondContact O-N 3Å; A90-R93 PolarHBondContact O-N 3.31Å; A90-Q94 WeakPolarHBondContact O-CB 3.49Å; A90-Q94 WeakPolarHBondContact O-CG 3.27Å; A90-Q94 PolarHBondContact O-N 2.81Å
91F96.4Very high93.5Very high16 Ų1656.3 Ų56.37%0.0732%0.321CS..Hα-helixtrans-65.6-42.2-176.9-170.3-87.3000113.1N87 A88 Q94 H95 A110 M113 Y114 K117N87-F91 VanDerWaalsContact O-CB 3.28Å; N87-F91 WeakPolarHBondContact O-CB 3.11Å; N87-F91 PolarHBondContact O-N 3.4Å; A88-F91 PolarHBondContact O-N 2.93Å; F91-Q94 PolarHBondContact O-N 2.88Å; F91-H95 AromaticContact CD1-ND1 3.62Å; F91-H95 AromaticContact CD2-CE1 3.67Å; F91-H95 AromaticContact CD2-ND1 3.95Å; F91-H95 AromaticContact CE1-CE1 3.68Å; F91-H95 AromaticContact CE1-ND1 3.48Å; F91-H95 WeakPolarHBondContact CE1-ND1 3.49Å; F91-H95 AromaticContact CE2-CE1 3.28Å; F91-H95 WeakPolarHBondContact CE2-CE1 3.2Å; F91-H95 AromaticContact CE2-ND1 3.85Å; F91-H95 AromaticContact CG-ND1 3.86Å; F91-H95 AromaticContact CZ-CE1 3.29Å; F91-H95 WeakPolarHBondContact CZ-CE1 3.32Å; F91-H95 AromaticContact CZ-ND1 3.62Å; F91-H95 AromaticContact CZ-NE2 3.91Å; F91-H95 PolarHBondContact O-N 2.84Å; F91-H95 PolarHBondContact O-ND1 3Å; F91-A110 WeakPolarHBondContact CE1-O 3.38Å; F91-M113 HydrophobicContact CE1-CB 4.14Å; F91-M113 HydrophobicContact CZ-CB 3.99Å; F91-Y114 HydrophobicContact CB-CD2 3.72Å; F91-Y114 HydrophobicContact CB-CE2 3.82Å; F91-Y114 AromaticContact CD1-CD2 3.4Å; F91-Y114 HydrophobicContact CD1-CD2 3.4Å; F91-Y114 HydrophobicContact CD1-CE2 4.36Å; F91-Y114 AromaticContact CD1-CG 3.77Å; F91-Y114 HydrophobicContact CD1-CG 3.77Å; F91-Y114 AromaticContact CD2-CD2 3.93Å; F91-Y114 HydrophobicContact CD2-CD2 3.93Å; F91-Y114 HydrophobicContact CD2-CE2 4.4Å; F91-Y114 AromaticContact CE1-CD2 3.93Å; F91-Y114 HydrophobicContact CE1-CD2 3.93Å; F91-Y114 HydrophobicContact CE1-CG 4.21Å; F91-Y114 HydrophobicContact CE2-CD2 4.39Å; F91-Y114 AromaticContact CG-CD2 3.39Å; F91-Y114 HydrophobicContact CG-CD2 3.39Å; F91-Y114 AromaticContact CG-CE2 3.95Å; F91-Y114 HydrophobicContact CG-CE2 3.95Å; F91-Y114 HydrophobicContact CG-CG 4.21Å; F91-Y114 HydrophobicContact CZ-CD2 4.38Å; F91-K117 HydrophobicContact CD2-CD 3.98Å; F91-K117 HydrophobicContact CE2-CD 3.68Å; F91-K117 HydrophobicContact CZ-CD 4.46Å
92F95.9Very high93.5Very high5 Ų555.7 Ų55.72%0.02232%0.32CS..Hα-helixtrans-64.4-43.3178.1-86.6-114.7000111.3F27 A88 H95 G96 C97 K105 Y106 A110 A111 Y114F27-F92 HydrophobicContact CZ-CD2 4.18Å; F27-F92 HydrophobicContact CZ-CE2 4.31Å; F27-F92 HydrophobicContact CZ-CG 4.35Å; A88-F92 WeakPolarHBondContact O-CB 3.49Å; A88-F92 VanDerWaalsContact O-CD2 3.26Å; A88-F92 WeakPolarHBondContact O-CD2 3.5Å; A88-F92 PolarHBondContact O-N 3.35Å; F92-H95 CarbonylContact O-C 3.5Å; F92-H95 PolarHBondContact O-N 2.82Å; F92-G96 PolarHBondContact O-N 3.43Å; F92-C97 CarbonylContact C-O 3.57Å; F92-C97 HydrophobicContact CB-CB 4.41Å; F92-C97 HydrophobicContact CD1-CB 3.98Å; F92-C97 PolarHBondContact O-N 2.98Å; F92-K105 HydrophobicContact CD1-CG 4.09Å; F92-K105 HydrophobicContact CE1-CG 3.75Å; F92-Y106 HydrophobicContact CZ-CD1 4.43Å; F92-Y106 HydrophobicContact CZ-CE1 4.31Å; F92-A110 HydrophobicContact CD1-CB 4.48Å; F92-A111 HydrophobicContact CE1-CB 3.98Å; F92-A111 HydrophobicContact CZ-CB 3.74Å; F92-Y114 HydrophobicContact CD2-CD1 4.45Å; F92-Y114 AromaticContact CE2-CD1 3.74Å; F92-Y114 HydrophobicContact CE2-CD1 3.74Å; F92-Y114 HydrophobicContact CE2-CG 4.05Å
93R93.8Very high93.5Very high177 Ų17758.5 Ų58.567%0.66834%0.335SS*.Hα-helixtrans-61.9-44174.6-71.4174-178.6-171.21112.5T89 A90 H95 G96T89-R93 WeakPolarHBondContact O-CB 3.33Å; T89-R93 WeakPolarHBondContact O-CD 3.04Å; T89-R93 VanDerWaalsContact O-CG 3.24Å; T89-R93 WeakPolarHBondContact O-CG 3.46Å; T89-R93 PolarHBondContact O-N 2.84Å; A90-R93 PolarHBondContact O-N 3.31Å; R93-H95 PolarHBondContact O-N 3.47Å; R93-G96 PolarHBondContact O-N 3.35Å; R93-G96 VanDerWaalsContact O-N 3.15Å
94Q95.3Very high93.4Very high142 Ų14262.5 Ų62.566%0.66436%0.359SS*.Hα-helixtrans-59.2-31.3177.2-76.6165.9-4.200113.2A90 F91A90-Q94 WeakPolarHBondContact O-CB 3.49Å; A90-Q94 WeakPolarHBondContact O-CG 3.27Å; A90-Q94 PolarHBondContact O-N 2.81Å; F91-Q94 PolarHBondContact O-N 2.88Å
95H93.8Very high93.4Very high84 Ų8463 Ų6339%0.38936%0.359SS..THydrogen-bonded Turntrans-101.524.4179.7-61.387.4000113F91 F92 R93 C97 A110 M113F91-H95 AromaticContact CD1-ND1 3.62Å; F91-H95 AromaticContact CD2-CE1 3.67Å; F91-H95 AromaticContact CD2-ND1 3.95Å; F91-H95 AromaticContact CE1-CE1 3.68Å; F91-H95 AromaticContact CE1-ND1 3.48Å; F91-H95 WeakPolarHBondContact CE1-ND1 3.49Å; F91-H95 AromaticContact CE2-CE1 3.28Å; F91-H95 WeakPolarHBondContact CE2-CE1 3.2Å; F91-H95 AromaticContact CE2-ND1 3.85Å; F91-H95 AromaticContact CG-ND1 3.86Å; F91-H95 AromaticContact CZ-CE1 3.29Å; F91-H95 WeakPolarHBondContact CZ-CE1 3.32Å; F91-H95 AromaticContact CZ-ND1 3.62Å; F91-H95 AromaticContact CZ-NE2 3.91Å; F91-H95 PolarHBondContact O-N 2.84Å; F91-H95 PolarHBondContact O-ND1 3Å; F92-H95 CarbonylContact O-C 3.5Å; F92-H95 PolarHBondContact O-N 2.82Å; R93-H95 PolarHBondContact O-N 3.47Å; H95-C97 PolarHBondContact O-N 2.98Å; H95-A110 HydrophobicContact CB-CB 3.71Å; H95-M113 HydrophobicContact CB-CE 4.27Å; H95-M113 WeakPolarHBondContact CD2-CE 3.48Å
96G89.8Confident93.4Very high66 Ų6662.9 Ų62.968%0.6836%0.358SS*.THydrogen-bonded Turntrans69.311.5173.100000115.6F92 R93 T98F92-G96 PolarHBondContact O-N 3.43Å; R93-G96 PolarHBondContact O-N 3.35Å; R93-G96 VanDerWaalsContact O-N 3.15Å; G96-T98 PolarHBondContact O-N 3.18Å
97C88.5Confident93.4Very high18 Ų1864.1 Ų64.112%0.12236%0.358CS..  trans-95.597.9-179.8-169.40000110.9F92 H95 S108 A110F92-C97 CarbonylContact C-O 3.57Å; F92-C97 HydrophobicContact CB-CB 4.41Å; F92-C97 HydrophobicContact CD1-CB 3.98Å; F92-C97 PolarHBondContact O-N 2.98Å; H95-C97 PolarHBondContact O-N 2.98Å; C97-S108 PolarHBondContact SG-OG 3.37Å; C97-A110 HydrophobicContact CB-CB 3.54Å
98T87.1Confident93.4Very high111 Ų11161 Ų6168%0.68134%0.343SS*.  trans-117.927.4172.761.60000111.9G96G96-T98 PolarHBondContact O-N 3.18Å
99A90.3Very high93.3Very high31 Ų3168.8 Ų68.826%0.25637%0.373SS..  trans-72133.4175.400000110.7T104 K105A99-T104 HydrophobicContact CB-CG2 3.92Å; A99-K105 HydrophobicContact CB-CB 4.34Å
100N87.9Confident93.4Very high154 Ų15466.8 Ų66.882%0.82436%0.361SS*.  trans-88.2-28.7176.1-64.4-26.8000112.5A102N100-A102 PolarHBondContact O-N 2.94Å
101D92.6Very high93.4Very high84 Ų8464.7 Ų64.745%0.44934%0.344SS..SBendtrans-65.7127.6171.7162.646.6000110.4N103 T104 K105D101-N103 PolarHBondContact O-N 3.47Å; D101-N103 PolarHBondContact OD1-N 2.96Å; D101-N103 PolarHBondContact OD2-N 3.08Å; D101-T104 WeakPolarHBondContact OD2-CB 3.44Å; D101-T104 PolarHBondContact OD2-N 3.49Å; D101-T104 PolarHBondContact OD2-OG1 2.89Å; D101-K105 WeakPolarHBondContact O-CB 3.48Å; D101-K105 PolarHBondContact O-N 3.46Å
102A93.1Very high93.4Very high12 Ų1267.3 Ų67.310%0.09936%0.356CS..Hα-helixtrans-62.1-39.2-18000000112.6V52 L56 N100 K105 Y106V52-A102 HydrophobicContact CG1-CB 3.59Å; L56-A102 HydrophobicContact CD1-CB 4.44Å; N100-A102 PolarHBondContact O-N 2.94Å; A102-K105 PolarHBondContact O-N 3.2Å; A102-Y106 HydrophobicContact CB-CD2 4.04Å; A102-Y106 HydrophobicContact CB-CE2 4.11Å; A102-Y106 WeakPolarHBondContact O-CB 3.43Å; A102-Y106 WeakPolarHBondContact O-CD2 3.28Å; A102-Y106 PolarHBondContact O-N 3.14Å
103N93.7Very high93.4Very high88 Ų8870 Ų7047%0.47137%0.37SS..Hα-helixtrans-65.2-51.4-176-168.5-19.2000110.7L56 D101 N107L56-N103 HydrophobicContact CD2-CB 4.18Å; D101-N103 PolarHBondContact O-N 3.47Å; D101-N103 PolarHBondContact OD1-N 2.96Å; D101-N103 PolarHBondContact OD2-N 3.08Å; N103-N107 WeakPolarHBondContact O-CB 3.44Å; N103-N107 PolarHBondContact O-N 2.86Å; N103-N107 PolarHBondContact O-ND2 3.02Å; N103-N107 VanDerWaalsContact O-ND2 3.14Å; N103-N107 PolarHBondContact OD1-ND2 3.02Å
104T94.1Very high93.6Very high87 Ų8761.8 Ų61.853%0.53434%0.339SS..Hα-helixtrans-59.7-45.5173.5-54.80000111.9A99 D101 S108A99-T104 HydrophobicContact CB-CG2 3.92Å; D101-T104 WeakPolarHBondContact OD2-CB 3.44Å; D101-T104 PolarHBondContact OD2-N 3.49Å; D101-T104 PolarHBondContact OD2-OG1 2.89Å; T104-S108 WeakPolarHBondContact O-CB 3.29Å; T104-S108 PolarHBondContact O-N 3.37Å
105K95.6Very high93.7Very high19 Ų1958.8 Ų58.88%0.08332%0.321CS..Hα-helixtrans-61.5-46.8-179.3-178179.5-177.1-177.20112.2F27 D28 F92 A99 D101 A102 S108 A111F27-K105 VanDerWaalsContact CE1-CE 3.45Å; F27-K105 VanDerWaalsContact CE1-NZ 3.31Å; F27-K105 PolarHBondContact O-NZ 2.84Å; D28-K105 IonicContact OD1-NZ 2.78Å; D28-K105 PolarHBondContact OD1-NZ 3.4Å; F92-K105 HydrophobicContact CD1-CG 4.09Å; F92-K105 HydrophobicContact CE1-CG 3.75Å; A99-K105 HydrophobicContact CB-CB 4.34Å; D101-K105 WeakPolarHBondContact O-CB 3.48Å; D101-K105 PolarHBondContact O-N 3.46Å; A102-K105 PolarHBondContact O-N 3.2Å; K105-S108 VanDerWaalsContact O-CB 3.3Å; K105-S108 WeakPolarHBondContact O-CB 3.48Å; K105-S108 PolarHBondContact O-OG 3.39Å; K105-A111 WeakPolarHBondContact O-CB 3.47Å
106Y96.1Very high93.8Very high1 Ų158 Ų580%0.00432%0.318CS..Hα-helixtrans-89.8-18.8-172.9-65.2-63.3000115F27 D28 Y41 H53 L56 F92 A102 A111F27-Y106 WeakPolarHBondContact CD1-OH 3.42Å; F27-Y106 HydrophobicContact CE1-CE1 4.18Å; F27-Y106 WeakPolarHBondContact CE1-OH 3.41Å; D28-Y106 VanDerWaalsContact CG-OH 3.26Å; D28-Y106 PolarHBondContact OD1-OH 2.92Å; D28-Y106 PolarHBondContact OD2-OH 3.13Å; Y41-Y106 AromaticContact CD2-CD1 3.98Å; Y41-Y106 HydrophobicContact CD2-CD1 3.98Å; Y41-Y106 AromaticContact CD2-CE1 3.89Å; Y41-Y106 HydrophobicContact CD2-CE1 3.89Å; Y41-Y106 HydrophobicContact CE1-CD1 4.36Å; Y41-Y106 AromaticContact CE2-CD1 3.42Å; Y41-Y106 HydrophobicContact CE2-CD1 3.42Å; Y41-Y106 VanDerWaalsContact CE2-CD1 3.42Å; Y41-Y106 AromaticContact CE2-CE1 3.82Å; Y41-Y106 HydrophobicContact CE2-CE1 3.82Å; Y41-Y106 HydrophobicContact CE2-CG 4.24Å; Y41-Y106 HydrophobicContact CG-CE1 4.5Å; Y41-Y106 AromaticContact CZ-CD1 3.64Å; H53-Y106 AromaticContact CE1-CD2 3.82Å; H53-Y106 AromaticContact CE1-CE1 3.82Å; H53-Y106 AromaticContact CE1-CE2 3.25Å; H53-Y106 WeakPolarHBondContact CE1-CE2 3.41Å; H53-Y106 AromaticContact CE1-CZ 3.23Å; H53-Y106 PolarHBondContact CE1-OH 3.26Å; H53-Y106 AromaticContact NE2-CD2 3.84Å; H53-Y106 AromaticContact NE2-CE2 3.03Å; H53-Y106 WeakPolarHBondContact NE2-CE2 3.49Å; H53-Y106 AromaticContact NE2-CZ 3.32Å; H53-Y106 VanDerWaalsContact NE2-CZ 3.32Å; H53-Y106 PolarHBondContact NE2-OH 2.9Å; L56-Y106 HydrophobicContact CD1-CD2 3.76Å; L56-Y106 HydrophobicContact CD1-CG 4.25Å; F92-Y106 HydrophobicContact CZ-CD1 4.43Å; F92-Y106 HydrophobicContact CZ-CE1 4.31Å; A102-Y106 HydrophobicContact CB-CD2 4.04Å; A102-Y106 HydrophobicContact CB-CE2 4.11Å; A102-Y106 WeakPolarHBondContact O-CB 3.43Å; A102-Y106 WeakPolarHBondContact O-CD2 3.28Å; A102-Y106 PolarHBondContact O-N 3.14Å; Y106-A111 HydrophobicContact CD1-CB 4.44Å; Y106-A111 VanDerWaalsContact O-CB 3.3Å; Y106-A111 WeakPolarHBondContact O-CB 3.44Å
107N94.8Very high94.2Very high71 Ų7159.1 Ų59.138%0.3830%0.304SS..Hα-helixtrans-80.8-16.5165.5-78.1-64.7000113.4L60 N103 Q112L60-N107 WeakPolarHBondContact CD1-OD1 3.21Å; N103-N107 WeakPolarHBondContact O-CB 3.44Å; N103-N107 PolarHBondContact O-N 2.86Å; N103-N107 PolarHBondContact O-ND2 3.02Å; N103-N107 VanDerWaalsContact O-ND2 3.14Å; N103-N107 PolarHBondContact OD1-ND2 3.02Å; N107-Q112 PolarHBondContact O-NE2 2.97Å; N107-Q112 VanDerWaalsContact O-NE2 3.1Å
108S95.6Very high94.6Very high25 Ų2558.4 Ų58.418%0.17530%0.299CS..SBendtrans-54.8153.6-179.477.80000114.1C97 T104 K105 A110 A111 Q112C97-S108 PolarHBondContact SG-OG 3.37Å; T104-S108 WeakPolarHBondContact O-CB 3.29Å; T104-S108 PolarHBondContact O-N 3.37Å; K105-S108 VanDerWaalsContact O-CB 3.3Å; K105-S108 WeakPolarHBondContact O-CB 3.48Å; K105-S108 PolarHBondContact O-OG 3.39Å; S108-A110 PolarHBondContact O-N 2.95Å; S108-A111 PolarHBondContact O-N 3.43Å; S108-A111 VanDerWaalsContact O-N 3.14Å; S108-A111 PolarHBondContact OG-N 3.11Å; S108-Q112 WeakPolarHBondContact O-CG 3.11Å; S108-Q112 PolarHBondContact O-N 2.89Å; S108-Q112 VanDerWaalsContact O-N 3.1Å
109R95.3Very high95.1Very high164 Ų16458.5 Ų58.562%0.61929%0.287SS*.Hα-helixtrans-59.8-31.9174.7-174.755.8-179-179.3-1112.6Q112 M113R109-Q112 PolarHBondContact O-N 3.42Å; R109-M113 HydrophobicContact CG-CE 4.09Å; R109-M113 HydrophobicContact CG-SD 4.22Å; R109-M113 WeakPolarHBondContact O-CG 3.46Å; R109-M113 PolarHBondContact O-N 3.4Å; R109-M113 VanDerWaalsContact O-N 3.08Å
110A96.1Very high95.4Very high4 Ų462.5 Ų62.53%0.03330%0.3CS..Hα-helixtrans-61-48.5174.500000111.5F91 F92 H95 C97 S108 Q112 M113 Y114F91-A110 WeakPolarHBondContact CE1-O 3.38Å; F92-A110 HydrophobicContact CD1-CB 4.48Å; H95-A110 HydrophobicContact CB-CB 3.71Å; C97-A110 HydrophobicContact CB-CB 3.54Å; S108-A110 PolarHBondContact O-N 2.95Å; A110-Q112 PolarHBondContact O-N 3.26Å; A110-M113 PolarHBondContact O-N 3.27Å; A110-Y114 WeakPolarHBondContact O-CB 3.35Å; A110-Y114 PolarHBondContact O-N 2.92Å
111A96.3Very high95.8Very high0 Ų058.6 Ų58.60%028%0.279CS..Hα-helixtrans-61.1-43.6175.900000112Y41 F92 K105 Y106 S108 M113 Y114 R115Y41-A111 HydrophobicContact CE1-CB 3.96Å; Y41-A111 WeakPolarHBondContact CE1-O 3.28Å; F92-A111 HydrophobicContact CE1-CB 3.98Å; F92-A111 HydrophobicContact CZ-CB 3.74Å; K105-A111 WeakPolarHBondContact O-CB 3.47Å; Y106-A111 HydrophobicContact CD1-CB 4.44Å; Y106-A111 VanDerWaalsContact O-CB 3.3Å; Y106-A111 WeakPolarHBondContact O-CB 3.44Å; S108-A111 PolarHBondContact O-N 3.43Å; S108-A111 VanDerWaalsContact O-N 3.14Å; S108-A111 PolarHBondContact OG-N 3.11Å; A111-M113 VanDerWaalsContact C-N 3.31Å; A111-M113 PolarHBondContact O-N 3.15Å; A111-Y114 PolarHBondContact O-N 3.45Å; A111-Y114 VanDerWaalsContact O-N 3.15Å; A111-R115 WeakPolarHBondContact O-CG 3.34Å; A111-R115 PolarHBondContact O-N 3.1Å
112Q96.1Very high95.9Very high71 Ų7154.6 Ų54.633%0.33226%0.257SS..Hα-helixtrans-57.3-40.9176.6-64.8171.719.900113N107 S108 R109 A110 R115N107-Q112 PolarHBondContact O-NE2 2.97Å; N107-Q112 VanDerWaalsContact O-NE2 3.1Å; S108-Q112 WeakPolarHBondContact O-CG 3.11Å; S108-Q112 PolarHBondContact O-N 2.89Å; S108-Q112 VanDerWaalsContact O-N 3.1Å; R109-Q112 PolarHBondContact O-N 3.42Å; A110-Q112 PolarHBondContact O-N 3.26Å; Q112-R115 VanDerWaalsContact O-CG 3.26Å; Q112-R115 WeakPolarHBondContact O-CG 3.46Å
113M96.8Very high96Very high62 Ų6256.9 Ų56.931%0.30527%0.273SS..Hα-helixtrans-77.1-31.1177.5-64.3-178.4-53.800112.1F91 H95 R109 A110 A111 E116 K117F91-M113 HydrophobicContact CE1-CB 4.14Å; F91-M113 HydrophobicContact CZ-CB 3.99Å; H95-M113 HydrophobicContact CB-CE 4.27Å; H95-M113 WeakPolarHBondContact CD2-CE 3.48Å; R109-M113 HydrophobicContact CG-CE 4.09Å; R109-M113 HydrophobicContact CG-SD 4.22Å; R109-M113 WeakPolarHBondContact O-CG 3.46Å; R109-M113 PolarHBondContact O-N 3.4Å; R109-M113 VanDerWaalsContact O-N 3.08Å; A110-M113 PolarHBondContact O-N 3.27Å; A111-M113 VanDerWaalsContact C-N 3.31Å; A111-M113 PolarHBondContact O-N 3.15Å; M113-E116 WeakPolarHBondContact O-CB 3.49Å; M113-E116 PolarHBondContact O-N 3.42Å; M113-K117 WeakPolarHBondContact O-CB 3.36Å; M113-K117 PolarHBondContact O-N 3.42Å
114Y97.7Very high96.1Very high4 Ų454.6 Ų54.62%0.01627%0.266CS..Hα-helixtrans-71.9-42.1178.4-163.4-122.8000112.6Y41 A88 F91 F92 A110 A111 E116 K117 I118Y41-Y114 HydrophobicContact CD1-CD1 4.04Å; Y41-Y114 WeakPolarHBondContact O-CE1 3.5Å; A88-Y114 WeakPolarHBondContact CA-OH 3.38Å; A88-Y114 HydrophobicContact CB-CD1 4.48Å; A88-Y114 HydrophobicContact CB-CE1 3.58Å; A88-Y114 PolarHBondContact N-OH 2.98Å; A88-Y114 VanDerWaalsContact N-OH 3.1Å; F91-Y114 HydrophobicContact CB-CD2 3.72Å; F91-Y114 HydrophobicContact CB-CE2 3.82Å; F91-Y114 AromaticContact CD1-CD2 3.4Å; F91-Y114 HydrophobicContact CD1-CD2 3.4Å; F91-Y114 HydrophobicContact CD1-CE2 4.36Å; F91-Y114 AromaticContact CD1-CG 3.77Å; F91-Y114 HydrophobicContact CD1-CG 3.77Å; F91-Y114 AromaticContact CD2-CD2 3.93Å; F91-Y114 HydrophobicContact CD2-CD2 3.93Å; F91-Y114 HydrophobicContact CD2-CE2 4.4Å; F91-Y114 AromaticContact CE1-CD2 3.93Å; F91-Y114 HydrophobicContact CE1-CD2 3.93Å; F91-Y114 HydrophobicContact CE1-CG 4.21Å; F91-Y114 HydrophobicContact CE2-CD2 4.39Å; F91-Y114 AromaticContact CG-CD2 3.39Å; F91-Y114 HydrophobicContact CG-CD2 3.39Å; F91-Y114 AromaticContact CG-CE2 3.95Å; F91-Y114 HydrophobicContact CG-CE2 3.95Å; F91-Y114 HydrophobicContact CG-CG 4.21Å; F91-Y114 HydrophobicContact CZ-CD2 4.38Å; F92-Y114 HydrophobicContact CD2-CD1 4.45Å; F92-Y114 AromaticContact CE2-CD1 3.74Å; F92-Y114 HydrophobicContact CE2-CD1 3.74Å; F92-Y114 HydrophobicContact CE2-CG 4.05Å; A110-Y114 WeakPolarHBondContact O-CB 3.35Å; A110-Y114 PolarHBondContact O-N 2.92Å; A111-Y114 PolarHBondContact O-N 3.45Å; A111-Y114 VanDerWaalsContact O-N 3.15Å; Y114-E116 PolarHBondContact O-N 3.14Å; Y114-K117 HydrophobicContact CD2-CD 4.43Å; Y114-K117 PolarHBondContact O-N 3.47Å; Y114-I118 HydrophobicContact CD1-CG1 4.21Å; Y114-I118 HydrophobicContact CE1-CD1 4.21Å; Y114-I118 HydrophobicContact CE1-CG1 3.93Å; Y114-I118 HydrophobicContact CE2-CD1 4.27Å; Y114-I118 HydrophobicContact CE2-CG1 4.24Å; Y114-I118 HydrophobicContact CG-CG1 4.49Å; Y114-I118 WeakPolarHBondContact O-CB 3.37Å; Y114-I118 WeakPolarHBondContact O-CG1 3.26Å; Y114-I118 PolarHBondContact O-N 3.47Å
115R96.2Very high96Very high78 Ų7850.8 Ų50.829%0.29424%0.244SC..Hα-helixtrans-62.3-31.5174.167.6-179.5-174.2177.5-1.2112.9T40 Y41 H59 A111 Q112 R119T40-R115 HydrophobicContact CG2-CB 3.57Å; T40-R115 HydrophobicContact CG2-CG 4.47Å; T40-R115 WeakPolarHBondContact O-CA 3.46Å; T40-R115 WeakPolarHBondContact O-CB 3.17Å; Y41-R115 HydrophobicContact CD1-CB 4.08Å; Y41-R115 HydrophobicContact CE1-CB 3.8Å; Y41-R115 HydrophobicContact CE1-CG 4.49Å; H59-R115 PolarHBondContact O-NH1 3.24Å; H59-R115 VanDerWaalsContact O-NH1 3.12Å; A111-R115 WeakPolarHBondContact O-CG 3.34Å; A111-R115 PolarHBondContact O-N 3.1Å; Q112-R115 VanDerWaalsContact O-CG 3.26Å; Q112-R115 WeakPolarHBondContact O-CG 3.46Å; R115-R119 PolarHBondContact O-N 3.24Å; R115-R119 VanDerWaalsContact O-N 3.14Å
116E97.3Very high95.8Very high68 Ų6852.4 Ų52.432%0.31825%0.253SS..Hα-helixtrans-67.6-52.4173.6-172.756.1-130.100110.6M113 Y114 I118 R119 Q120M113-E116 WeakPolarHBondContact O-CB 3.49Å; M113-E116 PolarHBondContact O-N 3.42Å; Y114-E116 PolarHBondContact O-N 3.14Å; E116-I118 VanDerWaalsContact C-N 3.34Å; E116-I118 PolarHBondContact O-N 3.42Å; E116-R119 PolarHBondContact O-N 2.94Å; E116-R119 VanDerWaalsContact O-N 3.13Å; E116-R119 IonicContact OE1-CZ 3.12Å; E116-R119 IonicContact OE1-NH1 3.97Å; E116-R119 PolarHBondContact OE1-NH1 3.29Å; E116-R119 IonicContact OE2-CZ 2.79Å; E116-R119 IonicContact OE2-NH1 3.29Å; E116-R119 PolarHBondContact OE2-NH1 2.82Å; E116-R119 IonicContact OE2-NH2 3.19Å; E116-R119 PolarHBondContact OE2-NH2 2.81Å; E116-Q120 WeakPolarHBondContact O-CG 3.28Å; E116-Q120 PolarHBondContact O-N 3.24Å; E116-Q120 PolarHBondContact OE1-NE2 3.27Å
117K97.3Very high95.5Very high90 Ų9056.8 Ų56.839%0.39129%0.289SS..Hα-helixtrans-55.5-44.2175.9-177.5177.1179.1179.80112.6F91 M113 Y114 Q120 L121F91-K117 HydrophobicContact CD2-CD 3.98Å; F91-K117 HydrophobicContact CE2-CD 3.68Å; F91-K117 HydrophobicContact CZ-CD 4.46Å; M113-K117 WeakPolarHBondContact O-CB 3.36Å; M113-K117 PolarHBondContact O-N 3.42Å; Y114-K117 HydrophobicContact CD2-CD 4.43Å; Y114-K117 PolarHBondContact O-N 3.47Å; K117-Q120 PolarHBondContact O-N 2.97Å; K117-L121 HydrophobicContact CG-CD1 3.87Å; K117-L121 HydrophobicContact CG-CG 4.39Å; K117-L121 WeakPolarHBondContact O-CB 3.12Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.01Å; K117-L121 PolarHBondContact O-N 2.88Å
118I97.8Very high95.2Very high2 Ų263 Ų631%0.0131%0.307CS..Hα-helixtrans-64.8-40.9177.7-69.7-67.5000111.4C79 V82 G83 Y114 E116 G122C79-I118 HydrophobicContact CB-CG2 3.76Å; V82-I118 HydrophobicContact CG2-CD1 4.23Å; G83-I118 VanDerWaalsContact CA-CD1 3.5Å; Y114-I118 HydrophobicContact CD1-CG1 4.21Å; Y114-I118 HydrophobicContact CE1-CD1 4.21Å; Y114-I118 HydrophobicContact CE1-CG1 3.93Å; Y114-I118 HydrophobicContact CE2-CD1 4.27Å; Y114-I118 HydrophobicContact CE2-CG1 4.24Å; Y114-I118 HydrophobicContact CG-CG1 4.49Å; Y114-I118 WeakPolarHBondContact O-CB 3.37Å; Y114-I118 WeakPolarHBondContact O-CG1 3.26Å; Y114-I118 PolarHBondContact O-N 3.47Å; E116-I118 VanDerWaalsContact C-N 3.34Å; E116-I118 PolarHBondContact O-N 3.42Å; I118-G122 PolarHBondContact O-N 3.08Å
119R96.7Very high94.8Very high113 Ų11364.3 Ų64.343%0.42631%0.311SS..Hα-helixtrans-62.4-45175.9-152.2-165.7-44105.711.8111.6F75 R115 E116 G122 S123F75-R119 HydrophobicContact CE2-CG 4.44Å; F75-R119 HydrophobicContact CZ-CG 3.69Å; R115-R119 PolarHBondContact O-N 3.24Å; R115-R119 VanDerWaalsContact O-N 3.14Å; E116-R119 PolarHBondContact O-N 2.94Å; E116-R119 VanDerWaalsContact O-N 3.13Å; E116-R119 IonicContact OE1-CZ 3.12Å; E116-R119 IonicContact OE1-NH1 3.97Å; E116-R119 PolarHBondContact OE1-NH1 3.29Å; E116-R119 IonicContact OE2-CZ 2.79Å; E116-R119 IonicContact OE2-NH1 3.29Å; E116-R119 PolarHBondContact OE2-NH1 2.82Å; E116-R119 IonicContact OE2-NH2 3.19Å; E116-R119 PolarHBondContact OE2-NH2 2.81Å; R119-G122 PolarHBondContact O-N 3.17Å; R119-S123 WeakPolarHBondContact O-CB 3.43Å; R119-S123 PolarHBondContact O-N 3.43Å; R119-S123 PolarHBondContact O-OG 2.73Å
120Q97.2Very high94.2Very high115 Ų11558 Ų5854%0.53730%0.297SS..Hα-helixtrans-65.2-46.9179.8-67.4174.49.100112.1E116 K117 S123 A124E116-Q120 WeakPolarHBondContact O-CG 3.28Å; E116-Q120 PolarHBondContact O-N 3.24Å; E116-Q120 PolarHBondContact OE1-NE2 3.27Å; K117-Q120 PolarHBondContact O-N 2.97Å; Q120-S123 PolarHBondContact O-N 3.2Å; Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.28Å
121L95.8Very high93.4Very high72 Ų7261.1 Ų61.138%0.37732%0.315SS..Hα-helixtrans-66.4-38.2176.7-68.8174.9000112.2V82 K117 A124 A125V82-L121 HydrophobicContact CB-CB 3.86Å; V82-L121 HydrophobicContact CB-CD1 4.5Å; V82-L121 HydrophobicContact CG1-CB 4.15Å; V82-L121 HydrophobicContact CG2-CB 3.63Å; K117-L121 HydrophobicContact CG-CD1 3.87Å; K117-L121 HydrophobicContact CG-CG 4.39Å; K117-L121 WeakPolarHBondContact O-CB 3.12Å; K117-L121 VanDerWaalsContact O-CG 3.3Å; K117-L121 WeakPolarHBondContact O-CG 3.01Å; K117-L121 PolarHBondContact O-N 2.88Å; L121-A124 PolarHBondContact O-N 3.08Å; L121-A125 WeakPolarHBondContact O-CB 3.23Å; L121-A125 PolarHBondContact O-N 3.49Å
122G95.1Very high92.5Very high0 Ų066.3 Ų66.30%034%0.343CS..Hα-helixtrans-62-44.9175.100000112.1I118 R119 A125 L126I118-G122 PolarHBondContact O-N 3.08Å; R119-G122 PolarHBondContact O-N 3.17Å; G122-A125 PolarHBondContact O-N 3.11Å; G122-L126 WeakPolarHBondContact O-CB 3.44Å; G122-L126 PolarHBondContact O-N 2.91Å
123S95.1Very high91.3Very high60 Ų6065.2 Ų65.242%0.4234%0.339SS..Hα-helixtrans-64.9-41.4174-67.60000112.3F75 R119 Q120 L126 A127F75-S123 WeakPolarHBondContact CE2-OG 3.47Å; R119-S123 WeakPolarHBondContact O-CB 3.43Å; R119-S123 PolarHBondContact O-N 3.43Å; R119-S123 PolarHBondContact O-OG 2.73Å; Q120-S123 PolarHBondContact O-N 3.2Å; S123-L126 PolarHBondContact O-N 3.43Å; S123-A127 WeakPolarHBondContact O-CB 3.29Å; S123-A127 PolarHBondContact O-N 3.15Å
124A94.7Very high90.1Very high41 Ų4165.9 Ų65.934%0.33934%0.338SS..Hα-helixtrans-65.4-39.7177.400000112.5Q120 L121 A127 R128Q120-A124 WeakPolarHBondContact O-CB 3.38Å; Q120-A124 PolarHBondContact O-N 3.28Å; L121-A124 PolarHBondContact O-N 3.08Å; A124-A127 PolarHBondContact O-N 3.48Å; A124-R128 VanDerWaalsContact O-CG 3.28Å; A124-R128 WeakPolarHBondContact O-CG 3.28Å; A124-R128 PolarHBondContact O-N 3.15Å; A124-R128 VanDerWaalsContact O-N 3.16Å
125A92.7Very high88.7Confident7 Ų766.1 Ų66.16%0.05834%0.34CS..Hα-helixtrans-68.1-38173.800000111.9R78 V82 L121 G122 R128 H129R78-A125 HydrophobicContact CB-CB 4.07Å; R78-A125 HydrophobicContact CG-CB 4.1Å; V82-A125 HydrophobicContact CG1-CB 3.97Å; L121-A125 WeakPolarHBondContact O-CB 3.23Å; L121-A125 PolarHBondContact O-N 3.49Å; G122-A125 PolarHBondContact O-N 3.11Å; A125-R128 PolarHBondContact O-N 2.91Å; A125-H129 PolarHBondContact O-CD2 3Å; A125-H129 PolarHBondContact O-N 2.76Å
126L91.3Very high86.7Confident53 Ų5368.3 Ų68.328%0.27736%0.357SS..Hα-helixtrans-65.7-39.5175-17366.8000111.9W74 F75 R78 G122 S123 R128 G130W74-L126 HydrophobicContact CB-CD1 3.72Å; F75-L126 HydrophobicContact CB-CD2 4.03Å; F75-L126 HydrophobicContact CD2-CD2 4.37Å; R78-L126 HydrophobicContact CG-CB 4.17Å; R78-L126 HydrophobicContact CG-CD1 4.43Å; G122-L126 WeakPolarHBondContact O-CB 3.44Å; G122-L126 PolarHBondContact O-N 2.91Å; S123-L126 PolarHBondContact O-N 3.43Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 3.46Å; L126-G130 WeakPolarHBondContact O-CA 3.48Å; L126-G130 PolarHBondContact O-N 2.86Å
127A90.9Very high84.4Confident92 Ų9269.8 Ų69.876%0.7637%0.367SS*.Hα-helixtrans-68.2-28.1176.300000113.4S123 A124S123-A127 WeakPolarHBondContact O-CB 3.29Å; S123-A127 PolarHBondContact O-N 3.15Å; A124-A127 PolarHBondContact O-N 3.48Å
128R88.3Confident82.4Confident202 Ų20267.5 Ų67.576%0.76236%0.359SS*.Hα-helixtrans-85.4-41.4178.8-72.6172-177.1-172.30.5113.9A124 A125 L126A124-R128 VanDerWaalsContact O-CG 3.28Å; A124-R128 WeakPolarHBondContact O-CG 3.28Å; A124-R128 PolarHBondContact O-N 3.15Å; A124-R128 VanDerWaalsContact O-N 3.16Å; A125-R128 PolarHBondContact O-N 2.91Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 3.46Å
129H85.4Confident79.7Confident53 Ų5373 Ų7325%0.24540%0.397CS..Hα-helixtrans-112-6-170.4-56.9-70.6000113.4A125 T131 D132 W134A125-H129 PolarHBondContact O-CD2 3Å; A125-H129 PolarHBondContact O-N 2.76Å; H129-T131 PolarHBondContact O-N 3.24Å; H129-D132 WeakPolarHBondContact O-CB 3.43Å; H129-D132 PolarHBondContact O-N 2.96Å; H129-W134 HydrophobicContact CB-CB 3.82Å; H129-W134 HydrophobicContact CB-CG 4.45Å; H129-W134 AromaticContact CD2-CD2 3.65Å; H129-W134 AromaticContact CD2-CE3 3.66Å; H129-W134 AromaticContact CD2-CG 3.89Å; H129-W134 AromaticContact CE1-CD1 3.55Å; H129-W134 AromaticContact CE1-CD2 3.7Å; H129-W134 AromaticContact CE1-CE2 3.8Å; H129-W134 AromaticContact CE1-CG 3.53Å; H129-W134 AromaticContact CE1-NE1 3.7Å; H129-W134 AromaticContact CG-CD2 3.95Å; H129-W134 AromaticContact CG-CG 3.67Å; H129-W134 AromaticContact ND1-CD1 3.71Å; H129-W134 AromaticContact ND1-CD2 3.98Å; H129-W134 AromaticContact ND1-CG 3.44Å; H129-W134 AromaticContact NE2-CD2 3.51Å; H129-W134 AromaticContact NE2-CE2 3.68Å; H129-W134 AromaticContact NE2-CE3 3.84Å; H129-W134 AromaticContact NE2-CG 3.84Å
130G83.3Confident76.8Confident32 Ų3271.3 Ų71.333%0.3340%0.403SS..THydrogen-bonded Turntrans50.8-129.3178.900000112.6R78 L126R78-G130 PolarHBondContact NH2-O 3.36Å; L126-G130 WeakPolarHBondContact O-CA 3.48Å; L126-G130 PolarHBondContact O-N 2.86Å
131T79.6Confident74.1Confident68 Ų6869.9 Ų69.942%0.41741%0.411SS..THydrogen-bonded Turntrans-96.115.2175.762.20000113.4W74 H129W74-T131 HydrophobicContact CG-CG2 4.22Å; W74-T131 VanDerWaalsContact CH2-O 3.24Å; W74-T131 WeakPolarHBondContact CH2-O 3.45Å; W74-T131 WeakPolarHBondContact CZ2-O 3.39Å; H129-T131 PolarHBondContact O-N 3.24Å
132D76.8Confident71.2Confident110 Ų11071.9 Ų71.959%0.58843%0.426SS*.SBendtrans-85.8150.9178179.340.8000111.9R78 H129 W134R78-D132 PolarHBondContact NH1-O 3.32Å; R78-D132 PolarHBondContact NH2-O 3.14Å; H129-D132 WeakPolarHBondContact O-CB 3.43Å; H129-D132 PolarHBondContact O-N 2.96Å; D132-W134 PolarHBondContact O-N 3.13Å
133L72.3Confident68.5Low48 Ų4877.2 Ų77.225%0.25146%0.461SS..  trans-79.760.9179.6-80.9175000112.7E9 W74 I135E9-L133 HydrophobicContact CB-CD1 3.91Å; E9-L133 HydrophobicContact CB-CD2 3.86Å; E9-L133 HydrophobicContact CB-CG 4.28Å; E9-L133 HydrophobicContact CG-CD1 3.83Å; E9-L133 HydrophobicContact CG-CG 4.46Å; W74-L133 HydrophobicContact CH2-CD2 3.95Å; W74-L133 HydrophobicContact CH2-CG 4.18Å; W74-L133 HydrophobicContact CZ3-CD2 4.02Å; L133-I135 HydrophobicContact CB-CD1 3.89Å; L133-I135 HydrophobicContact CB-CG1 4.38Å; L133-I135 HydrophobicContact CD2-CD1 3.84Å; L133-I135 HydrophobicContact CG-CD1 4.3Å; L133-I135 VanDerWaalsContact O-CG1 3.31Å; L133-I135 WeakPolarHBondContact O-CG1 3.04Å; L133-I135 PolarHBondContact O-N 3.43Å
134W70Confident65.3Low76 Ų7681.9 Ų81.929%0.28848%0.481SS..  trans-56.9108.7165.9176.758.2000110.5Q81 H129 D132 N137Q81-W134 PolarHBondContact NE2-O 3.34Å; H129-W134 HydrophobicContact CB-CB 3.82Å; H129-W134 HydrophobicContact CB-CG 4.45Å; H129-W134 AromaticContact CD2-CD2 3.65Å; H129-W134 AromaticContact CD2-CE3 3.66Å; H129-W134 AromaticContact CD2-CG 3.89Å; H129-W134 AromaticContact CE1-CD1 3.55Å; H129-W134 AromaticContact CE1-CD2 3.7Å; H129-W134 AromaticContact CE1-CE2 3.8Å; H129-W134 AromaticContact CE1-CG 3.53Å; H129-W134 AromaticContact CE1-NE1 3.7Å; H129-W134 AromaticContact CG-CD2 3.95Å; H129-W134 AromaticContact CG-CG 3.67Å; H129-W134 AromaticContact ND1-CD1 3.71Å; H129-W134 AromaticContact ND1-CD2 3.98Å; H129-W134 AromaticContact ND1-CG 3.44Å; H129-W134 AromaticContact NE2-CD2 3.51Å; H129-W134 AromaticContact NE2-CE2 3.68Å; H129-W134 AromaticContact NE2-CE3 3.84Å; H129-W134 AromaticContact NE2-CG 3.84Å; D132-W134 PolarHBondContact O-N 3.13Å; W134-N137 HydrophobicContact CZ2-CB 4.3Å
135I68.4Low62.4Low9 Ų987.6 Ų87.65%0.04650%0.5CS..  trans-138.1-20.2-174-67.4172.2000112.8T12 L13 R16 L133 N137 I138T12-I135 HydrophobicContact CG2-CD1 4.31Å; L13-I135 HydrophobicContact CD1-CG1 4.39Å; R16-I135 VanDerWaalsContact CZ-CG2 3.47Å; L133-I135 HydrophobicContact CB-CD1 3.89Å; L133-I135 HydrophobicContact CB-CG1 4.38Å; L133-I135 HydrophobicContact CD2-CD1 3.84Å; L133-I135 HydrophobicContact CG-CD1 4.3Å; L133-I135 VanDerWaalsContact O-CG1 3.31Å; L133-I135 WeakPolarHBondContact O-CG1 3.04Å; L133-I135 PolarHBondContact O-N 3.43Å; I135-N137 VanDerWaalsContact C-N 3.3Å; I135-N137 PolarHBondContact O-N 2.98Å; I135-N137 VanDerWaalsContact O-N 3.12Å; I135-I138 PolarHBondContact O-N 3.24Å
136D56Low59.5Low123 Ų12392.1 Ų92.166%0.65853%0.531SS*.THydrogen-bonded Turntrans-74-12.1-157.8-50.1-71.5000115.9
137N48.4Very low57.1Low100 Ų10095.4 Ų95.454%0.53556%0.556SS.*THydrogen-bonded Turntrans-94.80.8-177.6-159.835.9000115W134 I135 S140W134-N137 HydrophobicContact CZ2-CB 4.3Å; I135-N137 VanDerWaalsContact C-N 3.3Å; I135-N137 PolarHBondContact O-N 2.98Å; I135-N137 VanDerWaalsContact O-N 3.12Å; N137-S140 PolarHBondContact O-N 3.19Å
138I54.4Low54.4Low42 Ų42100.2 Ų100.222%0.21556%0.563CS.*G310 helixtrans-74.7-27-176.1-62.4167000111.8L13 L17 V20 I135 S140L13-I138 HydrophobicContact CD1-CD1 4.48Å; L17-I138 HydrophobicContact CD2-CD1 3.86Å; V20-I138 HydrophobicContact CG2-CG2 3.78Å; I135-I138 PolarHBondContact O-N 3.24Å; I138-S140 VanDerWaalsContact C-N 3.28Å; I138-S140 PolarHBondContact O-N 3.09Å
139S40.5Very low52.1Low116 Ų11699.2 Ų99.281%0.81156%0.564SS**G310 helixtrans-69.9-23.4177.2-56.10000113.6A141S139-A141 VanDerWaalsContact C-N 3.28Å; S139-A141 PolarHBondContact O-N 2.87Å
140S37.6Very low50.1Low78 Ų78106.5 Ų106.555%0.54560%0.595SS.*G310 helixtrans-87.111.7-173-52.40000113.9N137 I138 V142N137-S140 PolarHBondContact O-N 3.19Å; I138-S140 VanDerWaalsContact C-N 3.28Å; I138-S140 PolarHBondContact O-N 3.09Å; S140-V142 PolarHBondContact O-N 3.3Å
141A39.1Very low48Very low86 Ų86112 Ų11271%0.71162%0.617SS**  trans-76.640-177.100000114.4S139S139-A141 VanDerWaalsContact C-N 3.28Å; S139-A141 PolarHBondContact O-N 2.87Å
142V35.3Very low46.4Very low113 Ų113113.7 Ų113.769%0.68563%0.631SS**SBendtrans-83.7137.9155.3-177.30000106.4S140 N144S140-V142 PolarHBondContact O-N 3.3Å; V142-N144 PolarHBondContact O-N 2.88Å
143P38Very low45.5Very low113 Ų113112.8 Ų112.873%0.73463%0.627SS**  trans-74.474.5-177.131.2-36.5000111.7
144N27.8Very low45.5Very low157 Ų157116.4 Ų116.484%0.8464%0.641SS**  trans-75.3124.1172.3-154.533.1000109.6V142V142-N144 PolarHBondContact O-N 2.88Å
145H35.3Very low44.8Very low162 Ų162120.1 Ų120.175%0.7566%0.659SS**  trans-82.8134.8-174.5-89.3-116.8000112
146S31.5Very low44.4Very low101 Ų101124.1 Ų124.171%0.70668%0.684SS**SBendtrans61.8156.2164.7-68.20000118.4
147P40.5Very low44.4Very low123 Ų123124.9 Ų124.980%0.79968%0.684SS**  trans-76.9121.8156.231.9-29.4000108.8K149P147-K149 PolarHBondContact O-N 3.16Å
148E33.8Very low44.9Very low193 Ų193126.3 Ų126.390%0.90269%0.687SS**  trans-66.4105.5174.2-68.2-173134.800110.5
149K40.8Very low44.7Very low180 Ų180129.4 Ų129.478%0.78371%0.708SS**  trans-70.6132.4144.4-80.1-172.5173.6-1750107P147 D151P147-K149 PolarHBondContact O-N 3.16Å; K149-D151 PolarHBondContact O-N 2.89Å
150K42.5Very low45Very low206 Ų206131.7 Ų131.790%0.89671%0.706SS**  trans-7871.5-179.1-170.5-178.3179.5-179.20109.9
151D40.2Very low45.2Very low148 Ų148133.2 Ų133.279%0.79171%0.714SS**  trans-68.4129171.6-67.2-26000108.6K149K149-D151 PolarHBondContact O-N 2.89Å
152S45.4Very low45.2Very low104 Ų104135.5 Ų135.573%0.72772%0.722SS**  trans-75.6134.6-176.345.40000111.6F154S152-F154 PolarHBondContact O-N 2.69Å
153D58.5Low45.1Very low91 Ų91134.6 Ų134.649%0.48773%0.726SS.*  trans-66.7105.6179.3171.936.7000112.1F155 T156D153-F155 PolarHBondContact O-N 2.79Å; D153-F155 PolarHBondContact OD1-N 2.77Å; D153-F155 VanDerWaalsContact OD1-N 3.14Å; D153-T156 PolarHBondContact O-N 3.4Å; D153-T156 VanDerWaalsContact O-N 3.12Å; D153-T156 WeakPolarHBondContact OD2-CB 3.22Å; D153-T156 PolarHBondContact OD2-N 2.69Å; D153-T156 VanDerWaalsContact OD2-N 3.14Å; D153-T156 PolarHBondContact OD2-OG1 3.36Å
154F70.9Confident45Very low124 Ų124140.4 Ų140.454%0.54473%0.733SS.*Hα-helixtrans-56.2-29179.4178.9-97.5000114S152 H158S152-F154 PolarHBondContact O-N 2.69Å; F154-H158 AromaticContact CE2-CE1 3.44Å; F154-H158 VanDerWaalsContact CE2-CE1 3.44Å; F154-H158 WeakPolarHBondContact CE2-CE1 3.48Å; F154-H158 AromaticContact CE2-ND1 3.86Å; F154-H158 AromaticContact CZ-CE1 3.69Å; F154-H158 AromaticContact CZ-ND1 3.9Å; F154-H158 PolarHBondContact O-ND1 2.86Å
155F56.1Low45.4Very low153 Ų153140 Ų14067%0.67173%0.731SS**Hα-helixtrans-77-29.4179.4-75.4-88.1000112.9D153 E157 T159D153-F155 PolarHBondContact O-N 2.79Å; D153-F155 PolarHBondContact OD1-N 2.77Å; D153-F155 VanDerWaalsContact OD1-N 3.14Å; F155-E157 VanDerWaalsContact C-N 3.32Å; F155-T159 PolarHBondContact O-OG1 3.41Å
156T59.7Low45.3Very low94 Ų94136.6 Ų136.658%0.57773%0.731SS**Hα-helixtrans-68.4-30.8172.8-66.70000112.1D153D153-T156 PolarHBondContact O-N 3.4Å; D153-T156 VanDerWaalsContact O-N 3.12Å; D153-T156 WeakPolarHBondContact OD2-CB 3.22Å; D153-T156 PolarHBondContact OD2-N 2.69Å; D153-T156 VanDerWaalsContact OD2-N 3.14Å; D153-T156 PolarHBondContact OD2-OG1 3.36Å
157E56.4Low45.8Very low139 Ų139137.4 Ų137.465%0.6573%0.734SS**Hα-helixtrans-73-34.3-179.3-169.3170.3-159.600113.4F155F155-E157 VanDerWaalsContact C-N 3.32Å
158H57.9Low45.3Very low129 Ų129136 Ų13660%0.59773%0.732SS**THydrogen-bonded Turntrans-943.7-173-73.179.8000115.2F154F154-H158 AromaticContact CE2-CE1 3.44Å; F154-H158 VanDerWaalsContact CE2-CE1 3.44Å; F154-H158 WeakPolarHBondContact CE2-CE1 3.48Å; F154-H158 AromaticContact CE2-ND1 3.86Å; F154-H158 AromaticContact CZ-CE1 3.69Å; F154-H158 AromaticContact CZ-ND1 3.9Å; F154-H158 PolarHBondContact O-ND1 2.86Å
159T51Low45.2Very low108 Ų108133.4 Ų133.466%0.66373%0.73SS**  trans-116.218.7-171.6-40.30000113.6F155 P161F155-T159 PolarHBondContact O-OG1 3.41Å; T159-P161 WeakPolarHBondContact O-CD 3.18Å
160Q46Very low44.7Very low163 Ų163131.9 Ų131.976%0.76273%0.726SS**PPolyproline II helixtrans-87.6117.6172.8-66.8-166.53.800111.9
161P43.3Very low44.8Very low110 Ų110127.5 Ų127.571%0.71472%0.718SS**PPolyproline II helixtrans-76142.8165.332.2-33000110.2T159 A163T159-P161 WeakPolarHBondContact O-CD 3.18Å; P161-A163 PolarHBondContact O-N 3.5Å
162P38.1Very low44.2Very low135 Ų135125.5 Ų125.588%0.87772%0.716SS**PPolyproline II helixtrans-73.3117.3179.529-33.6000111.2
163A33.6Very low43.4Very low94 Ų94124 Ų12478%0.77772%0.717SS**  trans-122.9144.4170.300000110.2P161P161-A163 PolarHBondContact O-N 3.5Å
164W36.3Very low41.9Very low235 Ų235125.3 Ų125.389%0.8973%0.728SS**  trans-95.7168.3-164.740.5-84.9000112.9
165D34.9Very low40Very low148 Ų148127.4 Ų127.479%0.79174%0.74SS**  trans-70154.9-162-66.1-91.7000118.4
166A34.7Very low38.7Very low90 Ų90128.8 Ų128.874%0.74475%0.748SS**  trans78.7161.7146.200000119.3
167P41.5Very low37.8Very low118 Ų118130.1 Ų130.177%0.76676%0.759SS**  -138.6162.3-54.538.9-25.3000115.1
168A29.8Very low36.7Very low93 Ų93127.8 Ų127.877%0.76976%0.763SS**  trans60.9134.9153.100000121.1
169T31.2Very low35.8Very low139 Ų139127.1 Ų127.185%0.85377%0.77SS**  172121.4121.1-720000111.4
170E31.2Very low34.8Very low149 Ų149127.7 Ų127.770%0.69678%0.778SS**  trans-72.8154.2163.1-99.6-107.2178.800109.7S172E170-S172 PolarHBondContact OE2-N 3.04Å; E170-S172 PolarHBondContact OE2-OG 3.38Å
171P43.2Very low34Very low114 Ų114123.7 Ų123.774%0.7477%0.774SS**  -153.3153.261.240.9-19.6000121.3
172S28.3Very low33.2Very low106 Ų106127.5 Ų127.574%0.74178%0.782SS**  trans30.8140.9130.3-620000123.7E170E170-S172 PolarHBondContact OE2-N 3.04Å; E170-S172 PolarHBondContact OE2-OG 3.38Å
173G28.6Very low32.8Very low72 Ų72125.8 Ų125.874%0.74277%0.773SS**  trans119121152.300000116
174T26.3Very low32.6Very low119 Ų119127 Ų12773%0.7378%0.775SS**  cis129.4129.7-7-65.70000111.2
175Q31Very low32.1Very low168 Ų168119.2 Ų119.279%0.78577%0.768SS**  trans71.8135.3178.8-66.3150.518.900115.7
176Q28.9Very low31.7Very low181 Ų181121.1 Ų121.185%0.84678%0.777SS**  cis77.7151.540.2-74.5-168.9-35.200114.9
177P41.3Very low31.6Very low123 Ų123121.7 Ų121.780%0.79978%0.782SS**  cis-130-167.9-0.437.4-17.5000115
178A32.9Very low31.1Very low90 Ų90124.4 Ų124.474%0.74479%0.785SS**  trans-87.4177.6171.400000113.1
179P40.5Very low31.7Very low115 Ų115125.8 Ų125.875%0.74779%0.786SS**  -153.2169.695.941.2-24.1000117.4
180S28.5Very low31.8Very low119 Ų119126 Ų12683%0.83278%0.777SS**  trans40.7149.2143.6-58.20000123.3
181A30.7Very low31.8Very low80 Ų80126.8 Ų126.866%0.66178%0.781SS**  cis-169.4168.4-15.100000110.3
182E26.4Very low31.4Very low190 Ų190125.1 Ų125.189%0.88878%0.784SS**  trans18.1141.3146.1-64.5178.3141.900121.6
183S29.3Very low31.8Very low98 Ų98126 Ų12669%0.68579%0.787SS**  cis-168170.9-3.366.30000112.3
184S29.3Very low32.1Very low119 Ų119130.1 Ų130.183%0.83279%0.792SS**  trans67129154.9-48.60000119.2
185G25.5Very low32.4Very low72 Ų72129.5 Ų129.574%0.74279%0.788SS**  cis174.2-165.9-2.500000113.5
186L27.6Very low32.6Very low188 Ų188127.2 Ų127.298%0.98478%0.782SS**  trans72.396.4172.2-74.1161.8000120.2
187A30.9Very low32.9Very low102 Ų102124.9 Ų124.984%0.84377%0.774SS**  trans-162.9151.3135.200000110.5
188Q32.7Very low32.4Very low176 Ų176126.6 Ų126.682%0.82278%0.776SS**  trans-98.2156.5175.1-65.3176.5-66.200112
189P41.7Very low32.4Very low122 Ų122125 Ų12579%0.79277%0.768SS**  trans-112.5139.814935.5-26000111.4
190E32Very low32Very low143 Ų143126.9 Ų126.967%0.66878%0.777SS**  trans-136.5145.5177.4-92.2-7647.100112.9
191H33Very low32.2Very low166 Ų166126.1 Ų126.177%0.76977%0.772SS**  trans57.1102.1156.2-73.744.6000121.3
192G34Very low32.8Very low78 Ų78128.3 Ų128.380%0.80478%0.78SS**  82.3124.6101.600000121.3
193P37.6Very low32.9Very low125 Ų125128.8 Ų128.881%0.81278%0.779SS**  trans-113.7121.6170.435.9-25000114.7
194N33.9Very low32.9Very low159 Ų159128.6 Ų128.685%0.8578%0.783SS**  trans-177.7159.9166-117-22.7000110.2
195T32.8Very low32.7Very low106 Ų106127.9 Ų127.965%0.6578%0.778SS**  cis-111.7-128.3-6.5470000109.8
196D33.9Very low33Very low120 Ų120131.6 Ų131.664%0.64278%0.78SS**  cis-155141.7-0.4-14339.1000113.7
197L35.5Very low33.2Very low131 Ų131130.1 Ų130.169%0.68677%0.768SS**  trans20140.4131-59.5-176.4000120.5
198L31.9Very low33.3Very low159 Ų159130.6 Ų130.683%0.83276%0.756SS**  cis-152.4173.33.7-82131.8000107.9
199G31.9Very low33.6Very low56 Ų56131 Ų13158%0.57776%0.755SS**  cis151.6-179.6-1.300000112.3
200T33.3Very low33.4Very low155 Ų155131.2 Ų131.295%0.95176%0.76SS**  trans83.6160.1169.778.40000120.4
201S31.4Very low33.6Very low103 Ų103129.7 Ų129.772%0.7277%0.765SS**  trans-139.4159.5-176139.70000109.5
202P44.1Very low33.9Very low127 Ų127128.4 Ų128.483%0.82576%0.762SS**  trans-120.7-176.1148.735.7-25.2000112.9
203K27.5Very low34.2Very low199 Ų199132.8 Ų132.887%0.86577%0.765SS**  trans-147146.6-157.7178.9-175.1-179.6-1780112.3
204A29.3Very low34.1Very low94 Ų94130.1 Ų130.178%0.77776%0.761SS**  trans71.2154.7176.500000114.9
205S26.5Very low34.2Very low104 Ų104132.6 Ų132.673%0.72776%0.764SS**  cis-159.5169.321.7-149.40000114.5
206L32.3Very low34.6Very low150 Ų150137.7 Ų137.779%0.78578%0.777SS**  trans73.1134.6154.8-70170.7000123
207E30.1Very low35.1Very low158 Ų158141.4 Ų141.474%0.73879%0.787SS**  trans67.3143.8144.3-66.1-131128.500120.5
208L34.1Very low35.4Very low111 Ų111141.4 Ų141.458%0.58180%0.795SS**  cis-152160.13.5-115.8166.4000113.1
209K39.3Very low35.6Very low185 Ų185138.6 Ų138.680%0.80480%0.795SS**  trans63.4108.2155.4-66.4163.5-169.8171.10119.4
210S36.3Very low35.8Very low127 Ų127140.8 Ų140.889%0.88881%0.808SS**  trans-118.8139.514660.90000111
211S36.1Very low36.1Very low111 Ų111138.4 Ų138.478%0.77680%0.803SS**  trans-166.2136.6171.9-165.60000105
212I40.3Very low36.8Very low138 Ų138143.4 Ų143.471%0.70881%0.812SS**  -166.9139.771.7-85.5173.8000108.3
213I39Very low36.7Very low171 Ų171147.5 Ų147.588%0.87782%0.817SS**  trans64.1140.9166.6-67.7163.7000116
214G35.8Very low37.2Very low69 Ų69140.9 Ų140.971%0.71181%0.806SS**  cis-150.7171.63.800000112.8
215K37.7Very low37.7Very low210 Ų210145.3 Ų145.391%0.91382%0.815SS**  trans-114.3135.4-160.1-56.1163.8-176.9168.30114
216K41.3Very low38.4Very low213 Ų213144.1 Ų144.193%0.92682%0.82SS**  trans-140.4147141.9-73.8-163.4177.8178.50110.3
217K42.9Very low38.8Very low198 Ų198141.8 Ų141.886%0.86182%0.822SS**  trans-86.7163-176.5-66.4-179.5177.5177.60111.4
218P42Very low39.9Very low132 Ų132144.8 Ų144.886%0.85783%0.832SS**  -118.5171.699.735-34.6000113.4
219A37.2Very low40.2Very low99 Ų99149.2 Ų149.282%0.81885%0.847SS**  trans-96.9150.2-175.700000112.5
220A34.9Very low40.2Very low103 Ų103143.5 Ų143.585%0.85184%0.841SS**  trans-102.5144.617300000111.3
221A39.5Very low41Very low104 Ų104146.5 Ų146.586%0.8685%0.846SS**  trans-128.3121164.500000108.8
222K46.8Very low41.1Very low209 Ų209144.6 Ų144.691%0.90984%0.844SS**  trans-96.1122.6179-73.8-176.2177.4-179.70111
223K42.4Very low41.7Very low212 Ų212143 Ų14392%0.92285%0.851SS**  trans-159138.4147.4-98.2173.1-176179.60106.3
224G37.4Very low42.9Very low61 Ų61143.3 Ų143.363%0.62985%0.849SS**  cis132.5122.30.100000110.4
225L39.3Very low44.1Very low186 Ų186150 Ų15097%0.97486%0.858SS**  trans67.9139-174.3-59.3123.6000115.3
226G42.7Very low45.1Very low80 Ų80143.4 Ų143.483%0.82584%0.836SS**  trans-100.315017200000111.4
227A39.8Very low46.2Very low101 Ų101136.4 Ų136.484%0.83581%0.813SS**  trans-144.4144.117100000109.7K229A227-K229 PolarHBondContact O-N 3.01Å
228K53.5Low47.1Very low220 Ų220131.6 Ų131.696%0.95781%0.805SS**  trans-70.7118.8178.2-66.6178.3179.81780110.2
229K39.9Very low48Very low204 Ų204133.1 Ų133.189%0.88780%0.8SS**  trans-154.2120.8167.7-144.6169.6-175.4177.10105A227A227-K229 PolarHBondContact O-N 3.01Å
230G39.8Very low49.5Very low66 Ų66130 Ų13068%0.6877%0.773SS**  cis110.1113.332.600000106G232G230-G232 PolarHBondContact O-N 2.97Å
231L53.1Low51.2Low190 Ų190131 Ų131100%0.99576%0.758SS**  trans-63.390.5-170.3-75163.7000111.2A233L231-A233 PolarHBondContact O-N 2.86Å
232G38.1Very low53.3Low70 Ų70129.6 Ų129.672%0.72274%0.742SS**  trans-88.5103.1-178.700000111.3G230 Q234G230-G232 PolarHBondContact O-N 2.97Å; G232-Q234 PolarHBondContact O-N 2.82Å; G232-Q234 VanDerWaalsContact O-N 3.1Å
233A53.2Low55.1Low104 Ų104124.1 Ų124.186%0.8672%0.719SS**  trans-63.6109.5166.300000109.3L231 K235L231-A233 PolarHBondContact O-N 2.86Å; A233-K235 PolarHBondContact O-N 3.14Å; A233-K235 VanDerWaalsContact O-N 3.08Å
234Q63.5Low57Low179 Ų179118.9 Ų118.984%0.83670%0.7SS**  trans-74.3102.4178.3-176.3155.7-40.800109.4G232 V236G232-Q234 PolarHBondContact O-N 2.82Å; G232-Q234 VanDerWaalsContact O-N 3.1Å; Q234-V236 PolarHBondContact O-N 3.2Å
235K60.5Low59.4Low209 Ų209121.4 Ų121.491%0.90970%0.696SS**  trans-67.193179.2-171.8-178-178.6-1780110.4A233A233-K235 PolarHBondContact O-N 3.14Å; A233-K235 VanDerWaalsContact O-N 3.08Å
236V58.6Low61.8Low72 Ų72119 Ų11944%0.43667%0.674SS.*  trans-67.1155.5173.1-125.20000110.9Q234 S240 F241Q234-V236 PolarHBondContact O-N 3.2Å; V236-S240 VanDerWaalsContact CG1-OG 3.23Å; V236-S240 WeakPolarHBondContact CG1-OG 3.38Å; V236-F241 HydrophobicContact CB-CE2 4.12Å; V236-F241 HydrophobicContact CB-CZ 4.35Å; V236-F241 HydrophobicContact CG2-CE2 4.25Å; V236-F241 HydrophobicContact CG2-CZ 3.97Å
237S64.9Low63.9Low65 Ų65121.4 Ų121.446%0.45566%0.664SS.*  trans-68.1149.9179-179.10000111.2Q239 S240 F241S237-Q239 PolarHBondContact O-N 3.36Å; S237-Q239 PolarHBondContact OG-N 3.29Å; S237-S240 PolarHBondContact N-OG 3.14Å; S237-S240 PolarHBondContact O-N 3.05Å; S237-S240 PolarHBondContact O-OG 2.9Å; S237-F241 VanDerWaalsContact O-CD2 3.26Å; S237-F241 WeakPolarHBondContact O-CD2 3.24Å
238S61.1Low66Low98 Ų98119.3 Ų119.369%0.68565%0.646SS**Hα-helixtrans-55.1-36.2171.8470000111.9S240 F241S238-S240 VanDerWaalsContact C-N 3.29Å; S238-S240 PolarHBondContact O-N 2.91Å; S238-F241 PolarHBondContact O-N 3.25Å
239Q62.5Low67.7Low163 Ų163114.1 Ų114.176%0.76263%0.626SS**Hα-helixtrans-65.2-26.2177.9-68.3177.7-16.900113.9S237S237-Q239 PolarHBondContact O-N 3.36Å; S237-Q239 PolarHBondContact OG-N 3.29Å
240S67.6Low70.2Confident34 Ų34108.5 Ų108.524%0.23861%0.608CS.*Hα-helixtrans-78.3-24.8177.337.70000113.7V236 S237 S238 I244V236-S240 VanDerWaalsContact CG1-OG 3.23Å; V236-S240 WeakPolarHBondContact CG1-OG 3.38Å; S237-S240 PolarHBondContact N-OG 3.14Å; S237-S240 PolarHBondContact O-N 3.05Å; S237-S240 PolarHBondContact O-OG 2.9Å; S238-S240 VanDerWaalsContact C-N 3.29Å; S238-S240 PolarHBondContact O-N 2.91Å; S240-I244 WeakPolarHBondContact O-CB 3.39Å; S240-I244 WeakPolarHBondContact O-CD1 3.21Å; S240-I244 WeakPolarHBondContact O-CG1 3.31Å; S240-I244 PolarHBondContact O-N 3.37Å; S240-I244 VanDerWaalsContact O-N 3.1Å
241F70.9Confident72.4Confident124 Ų124108.1 Ų108.154%0.54460%0.599SS.*Hα-helixtrans-67-46178.5-73.3-83.2000111.4V236 S237 S238 E243 I244 E245V236-F241 HydrophobicContact CB-CE2 4.12Å; V236-F241 HydrophobicContact CB-CZ 4.35Å; V236-F241 HydrophobicContact CG2-CE2 4.25Å; V236-F241 HydrophobicContact CG2-CZ 3.97Å; S237-F241 VanDerWaalsContact O-CD2 3.26Å; S237-F241 WeakPolarHBondContact O-CD2 3.24Å; S238-F241 PolarHBondContact O-N 3.25Å; F241-E243 VanDerWaalsContact C-N 3.34Å; F241-E243 PolarHBondContact O-N 2.95Å; F241-I244 PolarHBondContact O-N 3.25Å; F241-E245 VanDerWaalsContact O-CB 3.29Å; F241-E245 WeakPolarHBondContact O-CB 3.26Å; F241-E245 PolarHBondContact O-N 2.99Å
242S84.4Confident74.1Confident75 Ų75105.9 Ų105.952%0.52458%0.583SS.*Hα-helixtrans-64-34.4179.4-54.70000113.5R246S242-R246 VanDerWaalsContact O-CB 3.23Å; S242-R246 WeakPolarHBondContact O-CB 3.39Å; S242-R246 PolarHBondContact O-N 3.48Å
243E84.8Confident76.5Confident93 Ų93109.4 Ų109.444%0.43558%0.578SS.*Hα-helixtrans-76.1-36176.8-174.159.5-167.100112.2F241 R246 Q247F241-E243 VanDerWaalsContact C-N 3.34Å; F241-E243 PolarHBondContact O-N 2.95Å; E243-R246 PolarHBondContact O-N 3.37Å; E243-R246 IonicContact OE1-CZ 3.62Å; E243-R246 IonicContact OE1-NE 2.69Å; E243-R246 IonicContact OE1-NH2 3.23Å; E243-R246 PolarHBondContact OE1-NH2 2.93Å; E243-R246 IonicContact OE2-CZ 3.84Å; E243-R246 IonicContact OE2-NE 2.97Å; E243-R246 PolarHBondContact OE2-NE 2.68Å; E243-R246 IonicContact OE2-NH2 3.36Å; E243-R246 PolarHBondContact OE2-NH2 2.81Å; E243-Q247 VanDerWaalsContact O-CB 3.28Å; E243-Q247 WeakPolarHBondContact O-CB 3.29Å; E243-Q247 PolarHBondContact O-N 3.19Å
244I82Confident78.2Confident102 Ų102108.8 Ų108.852%0.52356%0.561SS.*Hα-helixtrans-65.4-42.3172.8-69.6166.6000110.7S240 F241 Q247 A248S240-I244 WeakPolarHBondContact O-CB 3.39Å; S240-I244 WeakPolarHBondContact O-CD1 3.21Å; S240-I244 WeakPolarHBondContact O-CG1 3.31Å; S240-I244 PolarHBondContact O-N 3.37Å; S240-I244 VanDerWaalsContact O-N 3.1Å; F241-I244 PolarHBondContact O-N 3.25Å; I244-Q247 PolarHBondContact O-N 2.91Å; I244-A248 WeakPolarHBondContact O-CB 3.29Å; I244-A248 PolarHBondContact O-N 2.88Å
245E87.3Confident79.3Confident115 Ų115109.6 Ų109.654%0.53756%0.556SS.*Hα-helixtrans-62.1-47.3174.4178.4174.1-148.400111.5F241 Q247 A248 Q249F241-E245 VanDerWaalsContact O-CB 3.29Å; F241-E245 WeakPolarHBondContact O-CB 3.26Å; F241-E245 PolarHBondContact O-N 2.99Å; E245-Q247 VanDerWaalsContact C-N 3.32Å; E245-Q247 PolarHBondContact O-N 2.86Å; E245-A248 WeakPolarHBondContact O-CB 3.3Å; E245-A248 PolarHBondContact O-N 3.21Å; E245-Q249 WeakPolarHBondContact O-CG 3.5Å; E245-Q249 PolarHBondContact O-N 2.87Å
246R89.7Confident80.7Confident134 Ų134106.3 Ų106.351%0.50654%0.544SS..Hα-helixtrans-60.4-40.6175-166-176.877.4843.2111.9S242 E243 V250S242-R246 VanDerWaalsContact O-CB 3.23Å; S242-R246 WeakPolarHBondContact O-CB 3.39Å; S242-R246 PolarHBondContact O-N 3.48Å; E243-R246 PolarHBondContact O-N 3.37Å; E243-R246 IonicContact OE1-CZ 3.62Å; E243-R246 IonicContact OE1-NE 2.69Å; E243-R246 IonicContact OE1-NH2 3.23Å; E243-R246 PolarHBondContact OE1-NH2 2.93Å; E243-R246 IonicContact OE2-CZ 3.84Å; E243-R246 IonicContact OE2-NE 2.97Å; E243-R246 PolarHBondContact OE2-NE 2.68Å; E243-R246 IonicContact OE2-NH2 3.36Å; E243-R246 PolarHBondContact OE2-NH2 2.81Å; R246-V250 VanDerWaalsContact O-CG2 3.29Å; R246-V250 WeakPolarHBondContact O-CG2 3.22Å; R246-V250 PolarHBondContact O-N 3.46Å
247Q86.5Confident82Confident131 Ų131108.2 Ų108.261%0.61255%0.548SS*.Hα-helixtrans-67-38.1176.5-170.4174.614.900111.9E243 I244 E245 V250 A251E243-Q247 VanDerWaalsContact O-CB 3.28Å; E243-Q247 WeakPolarHBondContact O-CB 3.29Å; E243-Q247 PolarHBondContact O-N 3.19Å; I244-Q247 PolarHBondContact O-N 2.91Å; E245-Q247 VanDerWaalsContact C-N 3.32Å; E245-Q247 PolarHBondContact O-N 2.86Å; Q247-V250 PolarHBondContact O-N 3.34Å; Q247-A251 WeakPolarHBondContact O-CB 3.47Å; Q247-A251 PolarHBondContact O-N 3.49Å
248A84.3Confident82.9Confident57 Ų57111 Ų11147%0.47155%0.553SS.*Hα-helixtrans-64.6-47.3174.200000111.8I244 E245 V250 A251 E252I244-A248 WeakPolarHBondContact O-CB 3.29Å; I244-A248 PolarHBondContact O-N 2.88Å; E245-A248 WeakPolarHBondContact O-CB 3.3Å; E245-A248 PolarHBondContact O-N 3.21Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 PolarHBondContact O-N 3.41Å; A248-A251 PolarHBondContact O-N 3.27Å; A248-A251 VanDerWaalsContact O-N 3.14Å; A248-E252 WeakPolarHBondContact O-CB 3.41Å; A248-E252 PolarHBondContact O-N 3.11Å
249Q88.6Confident84.1Confident112 Ų112108.7 Ų108.752%0.52354%0.541SS..Hα-helixtrans-60.4-39176.7-69.9174.111.700112.4E245 K253E245-Q249 WeakPolarHBondContact O-CG 3.5Å; E245-Q249 PolarHBondContact O-N 2.87Å; Q249-K253 VanDerWaalsContact O-CB 3.28Å; Q249-K253 WeakPolarHBondContact O-CB 3.31Å; Q249-K253 PolarHBondContact O-N 3.24Å
250V92.1Very high85.2Confident85 Ų85103 Ų10352%0.51552%0.521SS..Hα-helixtrans-66.6-40.6174.61700000111.5R246 Q247 A248 L254R246-V250 VanDerWaalsContact O-CG2 3.29Å; R246-V250 WeakPolarHBondContact O-CG2 3.22Å; R246-V250 PolarHBondContact O-N 3.46Å; Q247-V250 PolarHBondContact O-N 3.34Å; A248-V250 VanDerWaalsContact C-N 3.32Å; A248-V250 PolarHBondContact O-N 3.41Å; V250-L254 VanDerWaalsContact O-CB 3.3Å; V250-L254 WeakPolarHBondContact O-CB 3.39Å; V250-L254 PolarHBondContact O-N 3.39Å
251A86.3Confident86Confident59 Ų59104.3 Ų104.349%0.48853%0.526SS..Hα-helixtrans-67.8-39.7177.400000112.6Q247 A248 R255Q247-A251 WeakPolarHBondContact O-CB 3.47Å; Q247-A251 PolarHBondContact O-N 3.49Å; A248-A251 PolarHBondContact O-N 3.27Å; A248-A251 VanDerWaalsContact O-N 3.14Å; A251-R255 WeakPolarHBondContact O-CB 3.23Å; A251-R255 PolarHBondContact O-N 3.19Å
252E88.8Confident86.6Confident142 Ų142101 Ų10166%0.66452%0.522SS*.Hα-helixtrans-64.7-49.5175.2-177.1162.3-13700111.2A248 L254 R255 E256A248-E252 WeakPolarHBondContact O-CB 3.41Å; A248-E252 PolarHBondContact O-N 3.11Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 2.67Å; E252-R255 CarbonylContact O-C 3.56Å; E252-R255 WeakPolarHBondContact O-CB 3.36Å; E252-R255 PolarHBondContact O-N 3.1Å; E252-R255 VanDerWaalsContact O-N 3.08Å; E252-E256 PolarHBondContact O-N 3.14Å
253K89.1Confident86.5Confident144 Ų144104.1 Ų104.163%0.62653%0.526SS*.Hα-helixtrans-60.7-39176.9-173.8170.6-176.3171.50112.9Q249 E256 Q257Q249-K253 VanDerWaalsContact O-CB 3.28Å; Q249-K253 WeakPolarHBondContact O-CB 3.31Å; Q249-K253 PolarHBondContact O-N 3.24Å; K253-E256 PolarHBondContact O-N 3.08Å; K253-Q257 WeakPolarHBondContact O-CB 3.47Å; K253-Q257 PolarHBondContact O-N 3.46Å
254L88.7Confident86.5Confident92 Ų92104.9 Ų104.948%0.48253%0.527SS..Hα-helixtrans-65.5-39.1174.5-178.762000111.6V250 E252 Q257 Q258V250-L254 VanDerWaalsContact O-CB 3.3Å; V250-L254 WeakPolarHBondContact O-CB 3.39Å; V250-L254 PolarHBondContact O-N 3.39Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 2.67Å; L254-Q257 PolarHBondContact O-N 3.33Å; L254-Q258 WeakPolarHBondContact O-CB 3.49Å; L254-Q258 VanDerWaalsContact O-CG 3.31Å; L254-Q258 WeakPolarHBondContact O-CG 3.3Å; L254-Q258 PolarHBondContact O-N 3.28Å
255R87.4Confident86.3Confident196 Ų196106.5 Ų106.574%0.7453%0.533SS*.Hα-helixtrans-69.9-38.5176.9-172.7-179.7-178.1-1740.2112.3A251 E252 Q258 A259A251-R255 WeakPolarHBondContact O-CB 3.23Å; A251-R255 PolarHBondContact O-N 3.19Å; E252-R255 CarbonylContact O-C 3.56Å; E252-R255 WeakPolarHBondContact O-CB 3.36Å; E252-R255 PolarHBondContact O-N 3.1Å; E252-R255 VanDerWaalsContact O-N 3.08Å; R255-Q258 PolarHBondContact O-N 3.25Å; R255-A259 WeakPolarHBondContact O-CB 3.44Å; R255-A259 PolarHBondContact O-N 2.93Å
256E89.2Confident86Confident139 Ų139103.9 Ų103.965%0.6553%0.531SS*.Hα-helixtrans-62.1-45.7172.4-176.1-179.9-151.900110.7E252 K253 A259 A260E252-E256 PolarHBondContact O-N 3.14Å; K253-E256 PolarHBondContact O-N 3.08Å; E256-A259 CarbonylContact O-C 3.52Å; E256-A259 PolarHBondContact O-N 3.09Å; E256-A259 VanDerWaalsContact O-N 3.14Å; E256-A260 PolarHBondContact O-N 3.1Å
257Q86.2Confident85.6Confident113 Ų113103.1 Ų103.153%0.52853%0.533SS..Hα-helixtrans-62.7-43.8177-169.8165.48.700111.9K253 L254 A259 A260 D261K253-Q257 WeakPolarHBondContact O-CB 3.47Å; K253-Q257 PolarHBondContact O-N 3.46Å; L254-Q257 PolarHBondContact O-N 3.33Å; Q257-A259 VanDerWaalsContact C-N 3.31Å; Q257-A259 PolarHBondContact O-N 3.14Å; Q257-A260 PolarHBondContact O-N 3.12Å; Q257-D261 PolarHBondContact O-N 2.94Å
258Q83.4Confident85.5Confident122 Ų122103.3 Ų103.357%0.5753%0.534SS*.Hα-helixtrans-60.5-37.9172.1-74.6174.21.300112.5L254 R255 A262L254-Q258 WeakPolarHBondContact O-CB 3.49Å; L254-Q258 VanDerWaalsContact O-CG 3.31Å; L254-Q258 WeakPolarHBondContact O-CG 3.3Å; L254-Q258 PolarHBondContact O-N 3.28Å; R255-Q258 PolarHBondContact O-N 3.25Å; Q258-A262 WeakPolarHBondContact O-CB 3.48Å; Q258-A262 PolarHBondContact O-N 3.39Å
259A86.4Confident85.5Confident51 Ų51104.3 Ų104.342%0.42154%0.537SS..Hα-helixtrans-70.6-33.6175.800000112.6R255 E256 Q257 K263R255-A259 WeakPolarHBondContact O-CB 3.44Å; R255-A259 PolarHBondContact O-N 2.93Å; E256-A259 CarbonylContact O-C 3.52Å; E256-A259 PolarHBondContact O-N 3.09Å; E256-A259 VanDerWaalsContact O-N 3.14Å; Q257-A259 VanDerWaalsContact C-N 3.31Å; Q257-A259 PolarHBondContact O-N 3.14Å; A259-K263 WeakPolarHBondContact O-CG 3.48Å; A259-K263 PolarHBondContact O-N 3.46Å; A259-K263 VanDerWaalsContact O-N 3.13Å
260A84.9Confident85.1Confident42 Ų42105.1 Ų105.135%0.34754%0.543SS..Hα-helixtrans-69.6-43.917400000111.7E256 Q257 K263 K264E256-A260 PolarHBondContact O-N 3.1Å; Q257-A260 PolarHBondContact O-N 3.12Å; A260-K263 WeakPolarHBondContact O-CB 3.46Å; A260-K263 PolarHBondContact O-N 2.93Å; A260-K264 WeakPolarHBondContact O-CG 3.37Å; A260-K264 PolarHBondContact O-N 2.86Å
261D84.4Confident85.1Confident62 Ų62105.3 Ų105.333%0.33254%0.544SS..Hα-helixtrans-72.7-32.2179.1-65.8-28.4000111.9Q257 K264 Q265Q257-D261 PolarHBondContact O-N 2.94Å; D261-K264 PolarHBondContact O-N 3.1Å; D261-K264 WeakPolarHBondContact OD1-CE 3.21Å; D261-K264 IonicContact OD1-NZ 3.91Å; D261-K264 PolarHBondContact OD1-NZ 2.89Å; D261-Q265 WeakPolarHBondContact O-CG 3.43Å; D261-Q265 PolarHBondContact O-N 3.3Å
262A84.6Confident85.3Confident56 Ų56104.9 Ų104.946%0.46354%0.54SS..Hα-helixtrans-65.1-3516900000112.9Q258 A266Q258-A262 WeakPolarHBondContact O-CB 3.48Å; Q258-A262 PolarHBondContact O-N 3.39Å; A262-A266 WeakPolarHBondContact O-CB 3.42Å; A262-A266 PolarHBondContact O-N 3.33Å
263K82.6Confident85.3Confident140 Ų140101.4 Ų101.461%0.60953%0.531SS*.Hα-helixtrans-65.3-47.2171.4-76.8172.9-179.2-179.60111.4A259 A260 Q265 A266 E267A259-K263 WeakPolarHBondContact O-CG 3.48Å; A259-K263 PolarHBondContact O-N 3.46Å; A259-K263 VanDerWaalsContact O-N 3.13Å; A260-K263 WeakPolarHBondContact O-CB 3.46Å; A260-K263 PolarHBondContact O-N 2.93Å; K263-Q265 VanDerWaalsContact C-N 3.34Å; K263-Q265 PolarHBondContact O-N 2.92Å; K263-A266 WeakPolarHBondContact O-CB 3.29Å; K263-A266 PolarHBondContact O-N 3.2Å; K263-A266 VanDerWaalsContact O-N 3.09Å; K263-E267 WeakPolarHBondContact O-CG 3.45Å; K263-E267 PolarHBondContact O-N 3.22Å
264K84.2Confident85.3Confident108 Ų10899.3 Ų99.347%0.4753%0.525SS..Hα-helixtrans-56.2-46.4175-66.3171.2-164.3160.30111.7A260 D261 A266 E267 E268A260-K264 WeakPolarHBondContact O-CG 3.37Å; A260-K264 PolarHBondContact O-N 2.86Å; D261-K264 PolarHBondContact O-N 3.1Å; D261-K264 WeakPolarHBondContact OD1-CE 3.21Å; D261-K264 IonicContact OD1-NZ 3.91Å; D261-K264 PolarHBondContact OD1-NZ 2.89Å; K264-A266 VanDerWaalsContact C-N 3.31Å; K264-A266 PolarHBondContact O-N 2.82Å; K264-E267 PolarHBondContact O-N 2.81Å; K264-E268 WeakPolarHBondContact O-CB 3.38Å; K264-E268 WeakPolarHBondContact O-CG 3.4Å; K264-E268 PolarHBondContact O-N 2.99Å
265Q78Confident85.4Confident137 Ų137104.1 Ų104.164%0.6454%0.537SS*.Hα-helixtrans-63.2-34.9177.2-73.9-177.7-5.800112.9D261 K263 S269D261-Q265 WeakPolarHBondContact O-CG 3.43Å; D261-Q265 PolarHBondContact O-N 3.3Å; K263-Q265 VanDerWaalsContact C-N 3.34Å; K263-Q265 PolarHBondContact O-N 2.92Å; Q265-S269 WeakPolarHBondContact O-CB 3.29Å; Q265-S269 PolarHBondContact O-N 3.47Å
266A81.2Confident85.5Confident59 Ų59100 Ų10049%0.48853%0.529SS..Hα-helixtrans-69-39.6173.600000112.4A262 K263 K264 M270A262-A266 WeakPolarHBondContact O-CB 3.42Å; A262-A266 PolarHBondContact O-N 3.33Å; K263-A266 WeakPolarHBondContact O-CB 3.29Å; K263-A266 PolarHBondContact O-N 3.2Å; K263-A266 VanDerWaalsContact O-N 3.09Å; K264-A266 VanDerWaalsContact C-N 3.31Å; K264-A266 PolarHBondContact O-N 2.82Å; A266-M270 WeakPolarHBondContact O-CB 3.44Å; A266-M270 PolarHBondContact O-N 2.95Å
267E80.6Confident85.4Confident119 Ų11995.7 Ų95.756%0.55652%0.517SS*.Hα-helixtrans-67.2-46.3175.3-71.9165.9-165.900111.4K263 K264 S269 M270 V271K263-E267 WeakPolarHBondContact O-CG 3.45Å; K263-E267 PolarHBondContact O-N 3.22Å; K264-E267 PolarHBondContact O-N 2.81Å; E267-S269 VanDerWaalsContact C-N 3.35Å; E267-S269 PolarHBondContact O-N 2.65Å; E267-M270 WeakPolarHBondContact O-CB 3.45Å; E267-M270 PolarHBondContact O-N 3.04Å; E267-M270 VanDerWaalsContact O-N 3.13Å; E267-V271 WeakPolarHBondContact O-CG2 3.5Å; E267-V271 PolarHBondContact O-N 2.82Å
268E84.1Confident85.3Confident134 Ų13497.7 Ų97.763%0.62652%0.521SS*.Hα-helixtrans-60.1-42173.4-73.9176.3170.800111.7K264 M270 V271 A272K264-E268 WeakPolarHBondContact O-CB 3.38Å; K264-E268 WeakPolarHBondContact O-CG 3.4Å; K264-E268 PolarHBondContact O-N 2.99Å; E268-M270 VanDerWaalsContact C-N 3.32Å; E268-M270 PolarHBondContact O-N 2.84Å; E268-V271 PolarHBondContact O-N 2.77Å; E268-A272 VanDerWaalsContact O-CB 3.27Å; E268-A272 WeakPolarHBondContact O-CB 3.38Å; E268-A272 PolarHBondContact O-N 2.67Å
269S85.9Confident85.6Confident78 Ų7897.4 Ų97.455%0.54552%0.519SS..Hα-helixtrans-65.2-33.9174.4-174.90000112.7Q265 E267 S273Q265-S269 WeakPolarHBondContact O-CB 3.29Å; Q265-S269 PolarHBondContact O-N 3.47Å; E267-S269 VanDerWaalsContact C-N 3.35Å; E267-S269 PolarHBondContact O-N 2.65Å; S269-S273 PolarHBondContact O-N 3.42Å; S269-S273 VanDerWaalsContact O-N 3.08Å; S269-S273 PolarHBondContact O-OG 3.25Å
270M80.1Confident85.7Confident130 Ų130101.2 Ų101.264%0.6453%0.529SS*.Hα-helixtrans-71.9-41.9175.1-169.6-175.5-59.400111.4A266 E267 E268 A272 S273 M274A266-M270 WeakPolarHBondContact O-CB 3.44Å; A266-M270 PolarHBondContact O-N 2.95Å; E267-M270 WeakPolarHBondContact O-CB 3.45Å; E267-M270 PolarHBondContact O-N 3.04Å; E267-M270 VanDerWaalsContact O-N 3.13Å; E268-M270 VanDerWaalsContact C-N 3.32Å; E268-M270 PolarHBondContact O-N 2.84Å; M270-A272 VanDerWaalsContact C-N 3.33Å; M270-S273 PolarHBondContact O-N 3.14Å; M270-S273 PolarHBondContact O-OG 3.12Å; M270-M274 WeakPolarHBondContact O-CB 3.4Å; M270-M274 PolarHBondContact O-N 3.39Å
271V90.6Very high85.5Confident88 Ų88105 Ų10553%0.53354%0.542SS..Hα-helixtrans-65.2-38.2174.5171.60000111E267 E268 R275E267-V271 WeakPolarHBondContact O-CG2 3.5Å; E267-V271 PolarHBondContact O-N 2.82Å; E268-V271 PolarHBondContact O-N 2.77Å; V271-R275 VanDerWaalsContact O-CB 3.28Å; V271-R275 WeakPolarHBondContact O-CB 3.4Å; V271-R275 PolarHBondContact O-N 2.82Å
272A90.1Very high85.5Confident50 Ų50106.6 Ų106.641%0.41355%0.548SS..Hα-helixtrans-64.5-45.9175.300000112.4E268 M270 R275 L276E268-A272 VanDerWaalsContact O-CB 3.27Å; E268-A272 WeakPolarHBondContact O-CB 3.38Å; E268-A272 PolarHBondContact O-N 2.67Å; M270-A272 VanDerWaalsContact C-N 3.33Å; A272-R275 PolarHBondContact O-N 3.11Å; A272-L276 WeakPolarHBondContact O-CG 3.05Å; A272-L276 PolarHBondContact O-N 3.4Å
273S90.3Very high85.7Confident69 Ų69108.7 Ų108.748%0.48355%0.55SS.*Hα-helixtrans-67.2-38.6177.664.50000112.3S269 M270 L276 A277S269-S273 PolarHBondContact O-N 3.42Å; S269-S273 VanDerWaalsContact O-N 3.08Å; S269-S273 PolarHBondContact O-OG 3.25Å; M270-S273 PolarHBondContact O-N 3.14Å; M270-S273 PolarHBondContact O-OG 3.12Å; S273-L276 PolarHBondContact O-N 2.89Å; S273-A277 PolarHBondContact O-N 3.02Å
274M88.1Confident85.5Confident100 Ų100105.2 Ų105.249%0.49354%0.538SS..Hα-helixtrans-63.6-39.6172.5-177.9159.855.500112.2M270 L276 A277 Y278M270-M274 WeakPolarHBondContact O-CB 3.4Å; M270-M274 PolarHBondContact O-N 3.39Å; M274-L276 VanDerWaalsContact C-N 3.35Å; M274-L276 PolarHBondContact O-N 3.28Å; M274-A277 PolarHBondContact O-N 2.78Å; M274-Y278 HydrophobicContact CG-CD2 4.06Å; M274-Y278 HydrophobicContact CG-CE2 3.83Å; M274-Y278 VanDerWaalsContact O-CD2 3.27Å; M274-Y278 WeakPolarHBondContact O-CD2 3.22Å; M274-Y278 PolarHBondContact O-N 3.04Å; M274-Y278 HydrophobicContact SD-CE2 4.44Å
275R91.3Very high85.5Confident193 Ų193105.8 Ų105.873%0.72854%0.537SS*.Hα-helixtrans-63.5-38.8174.9-172.1177.8-172.4131.62.2112.3V271 A272 Y278 Q279V271-R275 VanDerWaalsContact O-CB 3.28Å; V271-R275 WeakPolarHBondContact O-CB 3.4Å; V271-R275 PolarHBondContact O-N 2.82Å; A272-R275 PolarHBondContact O-N 3.11Å; R275-Y278 PolarHBondContact O-N 2.9Å; R275-Q279 PolarHBondContact O-N 3.44Å; R275-Q279 VanDerWaalsContact O-N 3.07Å
276L89.2Confident85.8Confident111 Ų111104.9 Ų104.958%0.58153%0.531SS*.Hα-helixtrans-65.3-42.1174.4-71.5170.2000111.6A272 S273 M274 Y278 Q279 E280A272-L276 WeakPolarHBondContact O-CG 3.05Å; A272-L276 PolarHBondContact O-N 3.4Å; S273-L276 PolarHBondContact O-N 2.89Å; M274-L276 VanDerWaalsContact C-N 3.35Å; M274-L276 PolarHBondContact O-N 3.28Å; L276-Y278 PolarHBondContact O-N 2.88Å; L276-Q279 WeakPolarHBondContact O-CA 3.06Å; L276-Q279 WeakPolarHBondContact O-CB 3.25Å; L276-Q279 PolarHBondContact O-N 2.85Å; L276-E280 PolarHBondContact O-N 2.77Å
277A86.9Confident85.9Confident47 Ų47107.3 Ų107.339%0.38853%0.531SS..Hα-helixtrans-60.4-41.8174.800000112.5S273 M274 Q279 E280 L281S273-A277 PolarHBondContact O-N 3.02Å; M274-A277 PolarHBondContact O-N 2.78Å; A277-Q279 VanDerWaalsContact C-N 3.3Å; A277-Q279 PolarHBondContact O-N 3.2Å; A277-E280 PolarHBondContact O-N 3.44Å; A277-L281 WeakPolarHBondContact O-CG 3.34Å; A277-L281 PolarHBondContact O-N 3.4Å
278Y83.7Confident85.5Confident155 Ų155106.5 Ų106.561%0.60853%0.527SS*.Hα-helixtrans-62.6-35.1172.1-83-66.9000113M274 R275 L276 Q282M274-Y278 HydrophobicContact CG-CD2 4.06Å; M274-Y278 HydrophobicContact CG-CE2 3.83Å; M274-Y278 VanDerWaalsContact O-CD2 3.27Å; M274-Y278 WeakPolarHBondContact O-CD2 3.22Å; M274-Y278 PolarHBondContact O-N 3.04Å; M274-Y278 HydrophobicContact SD-CE2 4.44Å; R275-Y278 PolarHBondContact O-N 2.9Å; L276-Y278 PolarHBondContact O-N 2.88Å; Y278-Q282 VanDerWaalsContact O-CG 3.26Å; Y278-Q282 WeakPolarHBondContact O-CG 3.03Å; Y278-Q282 PolarHBondContact O-N 2.9Å
279Q91.1Very high85.2Confident116 Ų116104.2 Ų104.254%0.54252%0.517SS..Hα-helixtrans-71.3-38.9176.7-173.2170.6-5.300112R275 L276 A277 Q282 I283R275-Q279 PolarHBondContact O-N 3.44Å; R275-Q279 VanDerWaalsContact O-N 3.07Å; L276-Q279 WeakPolarHBondContact O-CA 3.06Å; L276-Q279 WeakPolarHBondContact O-CB 3.25Å; L276-Q279 PolarHBondContact O-N 2.85Å; A277-Q279 VanDerWaalsContact C-N 3.3Å; A277-Q279 PolarHBondContact O-N 3.2Å; Q279-Q282 PolarHBondContact O-N 2.84Å; Q279-I283 HydrophobicContact CG-CD1 4.24Å; Q279-I283 WeakPolarHBondContact O-CG1 3.42Å; Q279-I283 PolarHBondContact O-N 2.89Å
280E87.8Confident84.9Confident132 Ų132107 Ų10762%0.61752%0.519SS*.Hα-helixtrans-63.3-45.6175-171164.9-145.600111.4L276 A277 Q282 I283 D284L276-E280 PolarHBondContact O-N 2.77Å; A277-E280 PolarHBondContact O-N 3.44Å; E280-Q282 VanDerWaalsContact C-N 3.31Å; E280-Q282 PolarHBondContact O-N 3.17Å; E280-I283 WeakPolarHBondContact O-CB 3.17Å; E280-I283 PolarHBondContact O-N 3.07Å; E280-D284 PolarHBondContact O-N 3.11Å
281L80.3Confident84.6Confident120 Ų120106 Ų10663%0.62851%0.511SS*.Hα-helixtrans-58.5-38.1173.4-71.3170.3000112.9A277 R285A277-L281 WeakPolarHBondContact O-CG 3.34Å; A277-L281 PolarHBondContact O-N 3.4Å; L281-R285 WeakPolarHBondContact O-CB 3.3Å; L281-R285 PolarHBondContact O-N 2.68Å
282Q84.7Confident83.3Confident96 Ų96105.9 Ų105.945%0.44951%0.507SS..Hα-helixtrans-71.3-30.5175.2-69.5-78.8-1200112.7Y278 Q279 E280 K286Y278-Q282 VanDerWaalsContact O-CG 3.26Å; Y278-Q282 WeakPolarHBondContact O-CG 3.03Å; Y278-Q282 PolarHBondContact O-N 2.9Å; Q279-Q282 PolarHBondContact O-N 2.84Å; E280-Q282 VanDerWaalsContact C-N 3.31Å; E280-Q282 PolarHBondContact O-N 3.17Å; Q282-K286 WeakPolarHBondContact O-CB 3.44Å; Q282-K286 WeakPolarHBondContact O-CG 3.09Å; Q282-K286 PolarHBondContact O-N 3.09Å
283I88.6Confident82.3Confident100 Ų100109.5 Ų109.551%0.51352%0.515SS..Hα-helixtrans-70.3-48.2174.2-71.7163.8000110Q279 E280 K286 K287Q279-I283 HydrophobicContact CG-CD1 4.24Å; Q279-I283 WeakPolarHBondContact O-CG1 3.42Å; Q279-I283 PolarHBondContact O-N 2.89Å; E280-I283 WeakPolarHBondContact O-CB 3.17Å; E280-I283 PolarHBondContact O-N 3.07Å; I283-K286 PolarHBondContact O-N 3.49Å; I283-K287 WeakPolarHBondContact O-CB 3.49Å; I283-K287 PolarHBondContact O-N 2.96Å
284D79.4Confident81.1Confident68 Ų68112.8 Ų112.836%0.36453%0.527SS..Hα-helixtrans-67.7-37.6179.4-91.2-14.5000111.9E280 K286 K287 E288E280-D284 PolarHBondContact O-N 3.11Å; D284-K286 VanDerWaalsContact C-N 3.33Å; D284-K286 PolarHBondContact O-N 2.9Å; D284-K287 CarbonylContact O-C 3.53Å; D284-K287 WeakPolarHBondContact O-CA 3.32Å; D284-K287 WeakPolarHBondContact O-CB 3.31Å; D284-K287 PolarHBondContact O-N 3.42Å; D284-K287 WeakPolarHBondContact OD1-CD 3.44Å; D284-K287 IonicContact OD1-NZ 3.15Å; D284-K287 PolarHBondContact OD1-NZ 3.22Å; D284-E288 WeakPolarHBondContact O-CG 3.49Å; D284-E288 PolarHBondContact O-N 3.49Å
285R83.8Confident79.8Confident119 Ų119112.7 Ų112.745%0.44953%0.528SS..Hα-helixtrans-58.2-44.8171.9-154.3-166.282.6-129.7-4.1111.9L281 K287 E288 E289L281-R285 WeakPolarHBondContact O-CB 3.3Å; L281-R285 PolarHBondContact O-N 2.68Å; R285-K287 VanDerWaalsContact C-N 3.3Å; R285-K287 PolarHBondContact O-N 3.28Å; R285-E288 PolarHBondContact O-N 3.36Å; R285-E289 IonicContact CZ-OE1 2.77Å; R285-E289 IonicContact NE-OE1 2.65Å; R285-E289 PolarHBondContact NE-OE1 3.44Å; R285-E289 IonicContact NH2-OE1 2.67Å; R285-E289 PolarHBondContact NH2-OE1 3.45Å; R285-E289 IonicContact NH2-OE2 2.69Å; R285-E289 WeakPolarHBondContact O-CB 3.46Å; R285-E289 VanDerWaalsContact O-CG 3.29Å; R285-E289 WeakPolarHBondContact O-CG 3.23Å; R285-E289 PolarHBondContact O-N 3.04Å
286K84.6Confident77.8Confident118 Ų118111.8 Ų111.851%0.51353%0.532SS..Hα-helixtrans-66.4-28.9175.3-75.7177177.8-179.40113.6Q282 I283 D284 K290Q282-K286 WeakPolarHBondContact O-CB 3.44Å; Q282-K286 WeakPolarHBondContact O-CG 3.09Å; Q282-K286 PolarHBondContact O-N 3.09Å; I283-K286 PolarHBondContact O-N 3.49Å; D284-K286 VanDerWaalsContact C-N 3.33Å; D284-K286 PolarHBondContact O-N 2.9Å; K286-K290 WeakPolarHBondContact O-CB 3.26Å; K286-K290 VanDerWaalsContact O-CG 3.26Å; K286-K290 WeakPolarHBondContact O-CG 3.49Å; K286-K290 PolarHBondContact O-N 3.22Å
287K82.6Confident76.8Confident111 Ų111109 Ų10948%0.48353%0.531SS..Hα-helixtrans-74.1-34.2175.3-168.5-170-165.5-1800110.8I283 D284 R285 K291I283-K287 WeakPolarHBondContact O-CB 3.49Å; I283-K287 PolarHBondContact O-N 2.96Å; D284-K287 CarbonylContact O-C 3.53Å; D284-K287 WeakPolarHBondContact O-CA 3.32Å; D284-K287 WeakPolarHBondContact O-CB 3.31Å; D284-K287 PolarHBondContact O-N 3.42Å; D284-K287 WeakPolarHBondContact OD1-CD 3.44Å; D284-K287 IonicContact OD1-NZ 3.15Å; D284-K287 PolarHBondContact OD1-NZ 3.22Å; R285-K287 VanDerWaalsContact C-N 3.3Å; R285-K287 PolarHBondContact O-N 3.28Å; K287-K291 VanDerWaalsContact O-CG 3.27Å; K287-K291 WeakPolarHBondContact O-CG 3.31Å; K287-K291 PolarHBondContact O-N 3.11Å
288E73.4Confident75.3Confident102 Ų102114.9 Ų114.948%0.47755%0.547SS..Hα-helixtrans-75.4-43.1172.6-65.8-164.4145.300112.6D284 R285 K290 K291 L292D284-E288 WeakPolarHBondContact O-CG 3.49Å; D284-E288 PolarHBondContact O-N 3.49Å; R285-E288 PolarHBondContact O-N 3.36Å; E288-K290 VanDerWaalsContact C-N 3.26Å; E288-K290 PolarHBondContact O-N 3.32Å; E288-K291 HydrophobicContact CG-CD 4.45Å; E288-K291 WeakPolarHBondContact O-CB 3.39Å; E288-K291 PolarHBondContact O-N 3.39Å; E288-K291 VanDerWaalsContact O-N 3.09Å; E288-L292 WeakPolarHBondContact O-CB 3.5Å; E288-L292 WeakPolarHBondContact O-CG 3.18Å; E288-L292 PolarHBondContact O-N 2.95Å
289E76.3Confident74.2Confident86 Ų86115.7 Ų115.740%0.40255%0.554SS.*Hα-helixtrans-50.9-47.6167.7-73.1164.5-174.800110.7R285 L292 Q293R285-E289 IonicContact CZ-OE1 2.77Å; R285-E289 IonicContact NE-OE1 2.65Å; R285-E289 PolarHBondContact NE-OE1 3.44Å; R285-E289 IonicContact NH2-OE1 2.67Å; R285-E289 PolarHBondContact NH2-OE1 3.45Å; R285-E289 IonicContact NH2-OE2 2.69Å; R285-E289 WeakPolarHBondContact O-CB 3.46Å; R285-E289 VanDerWaalsContact O-CG 3.29Å; R285-E289 WeakPolarHBondContact O-CG 3.23Å; R285-E289 PolarHBondContact O-N 3.04Å; E289-L292 PolarHBondContact O-N 3.32Å; E289-Q293 WeakPolarHBondContact O-CB 3.47Å; E289-Q293 PolarHBondContact O-N 3.44Å
290K79.3Confident72.8Confident136 Ų136116.1 Ų116.159%0.59155%0.551SS**Hα-helixtrans-67.3-36.7175.6-76179178.1-170.90114.2K286 E288 L292 Q293 N294K286-K290 WeakPolarHBondContact O-CB 3.26Å; K286-K290 VanDerWaalsContact O-CG 3.26Å; K286-K290 WeakPolarHBondContact O-CG 3.49Å; K286-K290 PolarHBondContact O-N 3.22Å; E288-K290 VanDerWaalsContact C-N 3.26Å; E288-K290 PolarHBondContact O-N 3.32Å; K290-L292 VanDerWaalsContact C-N 3.33Å; K290-Q293 PolarHBondContact O-N 3.19Å; K290-N294 WeakPolarHBondContact O-CB 3.18Å; K290-N294 PolarHBondContact O-N 2.9Å
291K75.6Confident71.5Confident109 Ų109116.3 Ų116.347%0.47455%0.551SS.*Hα-helixtrans-61.3-42.7171.5-74.8166.7-171.8168.90110.9K287 E288 N294 L295K287-K291 VanDerWaalsContact O-CG 3.27Å; K287-K291 WeakPolarHBondContact O-CG 3.31Å; K287-K291 PolarHBondContact O-N 3.11Å; E288-K291 HydrophobicContact CG-CD 4.45Å; E288-K291 WeakPolarHBondContact O-CB 3.39Å; E288-K291 PolarHBondContact O-N 3.39Å; E288-K291 VanDerWaalsContact O-N 3.09Å; K291-N294 PolarHBondContact O-N 3.12Å; K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.35Å; K291-L295 PolarHBondContact O-N 3.19Å
292L62.1Low70.4Confident86 Ų86116.3 Ų116.345%0.4555%0.548SS..Hα-helixtrans-72.2-28.3179.3-67.7170.6000112.8E288 E289 K290 R300E288-L292 WeakPolarHBondContact O-CB 3.5Å; E288-L292 WeakPolarHBondContact O-CG 3.18Å; E288-L292 PolarHBondContact O-N 2.95Å; E289-L292 PolarHBondContact O-N 3.32Å; K290-L292 VanDerWaalsContact C-N 3.33Å; L292-R300 PolarHBondContact O-NH1 2.63Å
293Q68.7Low69.3Low126 Ų126113.8 Ų113.859%0.58954%0.544SS*.Hα-helixtrans-74.5-37.6170.9-168.717416.800111.8E289 K290 L295E289-Q293 WeakPolarHBondContact O-CB 3.47Å; E289-Q293 PolarHBondContact O-N 3.44Å; K290-Q293 PolarHBondContact O-N 3.19Å; Q293-L295 PolarHBondContact O-N 3.36Å; Q293-L295 VanDerWaalsContact O-N 3.17Å
294N66.3Low68.1Low137 Ų137116 Ų11673%0.73355%0.552SS**SBendtrans-72.10.6172.5-68.3-9.7000113.7K290 K291K290-N294 WeakPolarHBondContact O-CB 3.18Å; K290-N294 PolarHBondContact O-N 2.9Å; K291-N294 PolarHBondContact O-N 3.12Å
295L59.8Low67.4Low98 Ų98123.7 Ų123.751%0.51358%0.576SS.*SBendtrans-110.658175.5-73170.7000110.6K291 Q293K291-L295 VanDerWaalsContact O-CG 3.3Å; K291-L295 WeakPolarHBondContact O-CG 3.35Å; K291-L295 PolarHBondContact O-N 3.19Å; Q293-L295 PolarHBondContact O-N 3.36Å; Q293-L295 VanDerWaalsContact O-N 3.17Å
296E49.6Very low66.4Low175 Ų175124.3 Ų124.382%0.81859%0.587SS**  trans-74.4150.5175.7-86.4-176.315500113.5
297G67.6Low64.8Low53 Ų53121.8 Ų121.855%0.54660%0.595SS.*SBendtrans92.4-177.117800000115.3K299 R300G297-K299 PolarHBondContact O-N 3.26Å; G297-R300 PolarHBondContact O-N 2.67Å
298K56.8Low63.4Low169 Ų169123.9 Ų123.974%0.73561%0.608SS**THydrogen-bonded Turntrans-57-13.6-164.7-64.9-177.5176.8-178.90116.3R300 Q302K298-R300 VanDerWaalsContact C-N 3.34Å; K298-Q302 WeakPolarHBondContact O-CG 3.25Å; K298-Q302 PolarHBondContact O-N 3.25Å
299K59.9Low62.2Low172 Ų172121.4 Ų121.475%0.74861%0.611SS**Hα-helixtrans-67.1-31.1172.4-84.4-176.1172.7178.70113.1G297 Q302 A303G297-K299 PolarHBondContact O-N 3.26Å; K299-Q302 PolarHBondContact O-N 3.36Å; K299-A303 WeakPolarHBondContact O-CB 3.19Å; K299-A303 PolarHBondContact O-N 2.91Å
300R61.2Low61Low125 Ų125125.1 Ų125.147%0.47263%0.632SS.*Hα-helixtrans-69.1-51.1-179.7-177.9168.8167.6164.3-8.7111.6L292 G297 K298 Q302 A303 E304L292-R300 PolarHBondContact O-NH1 2.63Å; G297-R300 PolarHBondContact O-N 2.67Å; K298-R300 VanDerWaalsContact C-N 3.34Å; R300-Q302 VanDerWaalsContact C-N 3.27Å; R300-Q302 PolarHBondContact O-N 3.02Å; R300-A303 PolarHBondContact O-N 3.49Å; R300-A303 VanDerWaalsContact O-N 3.16Å; R300-E304 PolarHBondContact O-N 2.98Å
301E61Low59.3Low136 Ų136124 Ų12464%0.63664%0.637SS**Hα-helixtrans-55-41.3171.1-95.9-175.1122.800112.3R305E301-R305 WeakPolarHBondContact O-CB 3.37Å; E301-R305 PolarHBondContact O-N 2.78Å
302Q57.8Low57.7Low121 Ų121124.5 Ų124.557%0.56565%0.654SS**Hα-helixtrans-66.8-40.6177.3-77-178.9-23.500112.5K298 K299 R300 E304 R305 L306K298-Q302 WeakPolarHBondContact O-CG 3.25Å; K298-Q302 PolarHBondContact O-N 3.25Å; K299-Q302 PolarHBondContact O-N 3.36Å; R300-Q302 VanDerWaalsContact C-N 3.27Å; R300-Q302 PolarHBondContact O-N 3.02Å; Q302-E304 VanDerWaalsContact C-N 3.34Å; Q302-E304 PolarHBondContact O-N 3.29Å; Q302-R305 PolarHBondContact O-N 3.39Å; Q302-L306 WeakPolarHBondContact O-CB 3.35Å; Q302-L306 WeakPolarHBondContact O-CD1 3.32Å; Q302-L306 WeakPolarHBondContact O-CG 3.22Å; Q302-L306 PolarHBondContact O-N 3.14Å
303A61.4Low56.8Low43 Ų43131.5 Ų131.536%0.35567%0.674SS.*Hα-helixtrans-64.5-38.9176.900000112.4K299 R300 G307 M308K299-A303 WeakPolarHBondContact O-CB 3.19Å; K299-A303 PolarHBondContact O-N 2.91Å; R300-A303 PolarHBondContact O-N 3.49Å; R300-A303 VanDerWaalsContact O-N 3.16Å; A303-G307 PolarHBondContact O-N 3.24Å; A303-M308 PolarHBondContact O-N 3.1Å
304E63.9Low55.4Low145 Ų145130.4 Ų130.468%0.67868%0.68SS**Hα-helixtrans-66.3-48.8175.1-167.3169.9165.500111.2R300 Q302 L306 G307R300-E304 PolarHBondContact O-N 2.98Å; Q302-E304 VanDerWaalsContact C-N 3.34Å; Q302-E304 PolarHBondContact O-N 3.29Å; E304-L306 VanDerWaalsContact C-N 3.3Å; E304-L306 PolarHBondContact O-N 3.36Å; E304-G307 PolarHBondContact O-N 3.08Å
305R63.8Low54.1Low230 Ų230128.8 Ų128.887%0.86868%0.68SS**Hα-helixtrans-72.1-17.6179.5-164170.4-175.8136.30.3114.4E301 Q302 G307E301-R305 WeakPolarHBondContact O-CB 3.37Å; E301-R305 PolarHBondContact O-N 2.78Å; Q302-R305 PolarHBondContact O-N 3.39Å; R305-G307 VanDerWaalsContact C-N 3.32Å
306L62.3Low53.5Low132 Ų132130.7 Ų130.769%0.69170%0.695SS**THydrogen-bonded Turntrans-86.81.8168.9-73.4167.9000113Q302 E304 M308Q302-L306 WeakPolarHBondContact O-CB 3.35Å; Q302-L306 WeakPolarHBondContact O-CD1 3.32Å; Q302-L306 WeakPolarHBondContact O-CG 3.22Å; Q302-L306 PolarHBondContact O-N 3.14Å; E304-L306 VanDerWaalsContact C-N 3.3Å; E304-L306 PolarHBondContact O-N 3.36Å; L306-M308 VanDerWaalsContact C-N 3.27Å; L306-M308 HydrophobicContact CB-CG 4.49Å; L306-M308 PolarHBondContact O-N 3.47Å
307G52Low53Low65 Ų65127.7 Ų127.767%0.6769%0.694SS**THydrogen-bonded Turntrans70.819.3178.300000114.3A303 E304 R305 G309A303-G307 PolarHBondContact O-N 3.24Å; E304-G307 PolarHBondContact O-N 3.08Å; R305-G307 VanDerWaalsContact C-N 3.32Å; G307-G309 PolarHBondContact O-N 2.83Å
308M53.1Low52.1Low155 Ų155134.1 Ų134.176%0.76471%0.709SS**  trans-82.715.8174.6-64.8-178.463.600112.7A303 L306A303-M308 PolarHBondContact O-N 3.1Å; L306-M308 VanDerWaalsContact C-N 3.27Å; L306-M308 HydrophobicContact CB-CG 4.49Å; L306-M308 PolarHBondContact O-N 3.47Å
309G46.9Very low51.3Low51 Ų51130.6 Ų130.653%0.52671%0.706SS.*SBendtrans-84.6111.6176.100000113.7G307 V311G307-G309 PolarHBondContact O-N 2.83Å; G309-V311 PolarHBondContact O-N 3.15Å
310L51.4Low50.8Low163 Ų163129.1 Ų129.185%0.85371%0.711SS**SBendtrans61.636.3136.9-147.975000120.2
311V43.6Very low50.1Low114 Ų114130.2 Ų130.269%0.69173%0.725SS**  trans-136.6104.2151.7-173.70000111G309 R313G309-V311 PolarHBondContact O-N 3.15Å; V311-R313 HydrophobicContact CG1-CG 4.13Å; V311-R313 PolarHBondContact O-N 3.36Å
312S42.7Very low49.5Very low119 Ų119129.9 Ų129.983%0.83274%0.738SS**  trans-74.1108.1166.2-166.20000108.9S314S312-S314 PolarHBondContact O-N 3.07Å
313R43.6Very low49.1Very low233 Ų233133.3 Ų133.388%0.87975%0.754SS**  trans-79.774.6-167-69.2-172.6175.3-161.7-1.1113.8V311V311-R313 HydrophobicContact CG1-CG 4.13Å; V311-R313 PolarHBondContact O-N 3.36Å
314S38.7Very low48.1Very low102 Ų102139.1 Ų139.171%0.71378%0.776SS**  trans-90.397.7159.155.50000110.7S312S312-S314 PolarHBondContact O-N 3.07Å
315S38.6Very low47.3Very low104 Ų104140.7 Ų140.773%0.72778%0.783SS**SBendtrans27.2106.1158.157.90000119.7
316V48.8Very low46.6Very low138 Ų138135.6 Ų135.684%0.83678%0.777SS**  trans46.795.6141.6-169.60000117.4
317S38.5Very low45.9Very low112 Ų112136.6 Ų136.678%0.78378%0.782SS**  trans-155.5117146.6-80.10000109
318H47.6Very low45.9Very low187 Ų187141.9 Ų141.987%0.86679%0.789SS**  trans-81.6128166.4-77.7-97.7000108.2
319S41.1Very low45.4Very low96 Ų96142.8 Ų142.867%0.67179%0.791SS**  trans-145.9103.4171.6-72.20000109L321S319-L321 VanDerWaalsContact C-N 3.26Å; S319-L321 PolarHBondContact O-N 3.08Å
320V48.3Very low45.4Very low141 Ų141148.9 Ų148.986%0.85581%0.806SS**  trans-82.171.3-175.5-1740000109
321L47.5Very low45.3Very low147 Ų147147.2 Ų147.277%0.7780%0.803SS**  trans-140.111.8-176.2-72178.3000114.6S319S319-L321 VanDerWaalsContact C-N 3.26Å; S319-L321 PolarHBondContact O-N 3.08Å
322S47.8Very low45.3Very low130 Ų130147.4 Ų147.491%0.90981%0.806SS**SBendtrans-101.97172.4-640000114.2
323E49.5Very low45.1Very low192 Ų192148.4 Ų148.490%0.89781%0.807SS**  trans-130.164.3177.9-164163.9-130.700110.2
324M39.8Very low44.6Very low165 Ų165143.1 Ų143.181%0.81381%0.806SS**  trans-124.276.4168.6-177.3170.7169.400108.5V326M324-V326 PolarHBondContact O-N 2.94Å
325Q46.9Very low44.4Very low179 Ų179142 Ų14284%0.83680%0.803SS**  trans-72.3124.5169.7-175.7169.1-12.200108.5I327Q325-I327 PolarHBondContact O-N 3.06Å; Q325-I327 VanDerWaalsContact O-N 3.09Å
326V49.2Very low44.2Very low122 Ų122147 Ų14774%0.73981%0.812SS**  trans-68.3109.8174178.10000107.9M324 E328M324-V326 PolarHBondContact O-N 2.94Å; V326-E328 PolarHBondContact O-N 2.81Å
327I49.4Very low43.3Very low153 Ų153146 Ų14679%0.78581%0.811SS**  trans-75.9104.6169.3-60.8175.1000106.5Q325 Q329Q325-I327 PolarHBondContact O-N 3.06Å; Q325-I327 VanDerWaalsContact O-N 3.09Å; I327-Q329 PolarHBondContact O-N 2.92Å
328E51.2Low43.1Very low177 Ų177145.5 Ų145.583%0.82781%0.807SS**  trans-67.6118171.6-170.7164.3-166.400108.6V326 E330V326-E328 PolarHBondContact O-N 2.81Å; E328-E330 PolarHBondContact O-N 3.31Å
329Q42.1Very low42.6Very low173 Ų173147.4 Ų147.481%0.80881%0.807SS**  trans-81.588.9-171.1-172.6177.8-1.700110.6I327 T331I327-Q329 PolarHBondContact O-N 2.92Å; Q329-T331 PolarHBondContact O-N 3.39Å
330E48.2Very low42.5Very low180 Ų180148 Ų14884%0.84181%0.811SS**  trans-54.2134.6171-67.5-166.9145.100111.2E328 P332E328-E330 PolarHBondContact O-N 3.31Å; E330-P332 VanDerWaalsContact O-CD 3.26Å; E330-P332 WeakPolarHBondContact O-CD 3.38Å
331T47.6Very low41.9Very low128 Ų128148.5 Ų148.579%0.78580%0.804SS**  trans-81.8114-174.8530000111.7Q329Q329-T331 PolarHBondContact O-N 3.39Å
332P43.9Very low41.2Very low117 Ų117148 Ų14876%0.7680%0.801SS**PPolyproline II helixtrans-69.6138.7172.629.5-34.3000110.8E330 S334E330-P332 VanDerWaalsContact O-CD 3.26Å; E330-P332 WeakPolarHBondContact O-CD 3.38Å; P332-S334 PolarHBondContact O-N 3.41Å
333V38.6Very low40.5Very low141 Ų141147.6 Ų147.686%0.85579%0.789SS**PPolyproline II helixtrans-68.7120.9-173.9-170.20000111
334S33Very low39.9Very low121 Ų121145 Ų14585%0.84678%0.781SS**PPolyproline II helixtrans-73.5128.4177.7-177.60000112P332P332-S334 PolarHBondContact O-N 3.41Å
335A33.8Very low39.5Very low80 Ų80145.8 Ų145.866%0.66178%0.78SS**  trans-14681.8179.800000113.5
336K34.8Very low38.8Very low209 Ų209143.7 Ų143.791%0.90978%0.775SS**  trans71.5154.7158.9-57168.7-172.9174.60115.1
337S30.7Very low38Very low116 Ų116144.5 Ų144.581%0.81178%0.775SS**  cis-168.1172.9-19.6-178.90000108.8
338S34.8Very low37.2Very low101 Ų101143.4 Ų143.471%0.70678%0.775SS**  trans74.1121.8179.6-156.50000114.2
339R36.4Very low36.3Very low228 Ų228138.6 Ų138.686%0.8677%0.773SS**  57.9131.363.3-73.6-179.3157.6156.5-5.5111.9
340S37.9Very low35.9Very low109 Ų109137.3 Ų137.376%0.76278%0.777SS**  cis-161170.73243.40000111.3
341Q35.7Very low35Very low150 Ų150138.4 Ų138.470%0.70178%0.779SS**  cis175.5123.3-18.1168.7-174-57.600109.9
342L33.5Very low34.2Very low137 Ų137136 Ų13672%0.71777%0.773SS**  trans57.4163.8158.1-56.9174.3000117.7
343D32.8Very low33.7Very low122 Ų122136.5 Ų136.565%0.65278%0.779SS**  cis-153.3140.8-16.5-108.3-24.8000106.3
344L37.4Very low33.4Very low137 Ų137132.7 Ų132.772%0.71777%0.768SS**  72.6150.192-159.662.3000115.8
345F31.5Very low34Very low181 Ų181133 Ų13379%0.79477%0.767SS**  trans74.1148.8-174.2-59-81.2000116.2
346D32.2Very low34.3Very low136 Ų136135.3 Ų135.373%0.72778%0.776SS**  cis-161.6168.4-35.3-139.9-50.9000110.6
347D33Very low34.4Very low139 Ų139134.7 Ų134.774%0.74377%0.773SS**  trans55.4149.3153.6-141.921.1000125.2
348V31.8Very low34.6Very low130 Ų130138.9 Ų138.979%0.78877%0.772SS**  trans-1.2135.2161.4163.90000121.3
349G31.9Very low34.5Very low76 Ų76142 Ų14278%0.78477%0.773SS**  trans179.8119.5157.100000116.4
350T34.4Very low34.5Very low146 Ų146136.9 Ų136.990%0.89676%0.763SS**  trans-97.6124.3175.8-560000112.6
351F29.4Very low34.4Very low202 Ų202139.2 Ų139.289%0.88677%0.767SS**  trans-163.1171.9140.2-157.3-113.5000112.7
352A30.8Very low34.9Very low79 Ų79137.6 Ų137.665%0.65377%0.769SS**  trans-101.4149.9-172.100000114.7
353S34.3Very low34.9Very low126 Ų126140.6 Ų140.688%0.88178%0.777SS**  trans-152.3157.5147.764.10000110.1
354G31.5Very low35Very low62 Ų62140.8 Ų140.864%0.63979%0.788SS**PPolyproline II helixtrans-91.2164.4-170.500000114.9
355P45.4Very low35Very low127 Ų127142.6 Ų142.683%0.82580%0.797SS**PPolyproline II helixtrans-69.3133.3-17928-34.4000112.6
356P41Very low34.9Very low129 Ų129137.2 Ų137.284%0.83879%0.792SS**PPolyproline II helixtrans-77.3173.6174.532.4-35.1000112.9
357K35.1Very low35Very low196 Ų196139.4 Ų139.485%0.85280%0.798SS**  trans-105.9141.8-164.3-53.4170.6-175.6174.30113.6
358Y35.7Very low35Very low204 Ų204138.2 Ų138.280%0.880%0.801SS**  trans-148.1122.8135.8-129.8-106.4000105.5
359K33.5Very low34.8Very low167 Ų167141.4 Ų141.473%0.72681%0.805SS**  58.5133.262.1-76.7-162.5165.8-157.80111.7
360D34.9Very low34.8Very low119 Ų119141.2 Ų141.264%0.63680%0.802SS**  cis-132.6158.918.1-73.6-64.5000113.6
361N37.2Very low34.7Very low159 Ų159138.5 Ų138.585%0.8579%0.789SS**  trans-138.4116173.5-121.114.2000109.5F363N361-F363 PolarHBondContact O-N 3.24Å
362P45.1Very low34.6Very low115 Ų115137.8 Ų137.875%0.74778%0.781SS**  trans-96.158.2-161.638.1-38.6000115.3
363F35Very low34.6Very low201 Ų201144 Ų14488%0.88279%0.787SS**  trans-147.487.1168.4-79.1-69.9000111.9N361N361-F363 PolarHBondContact O-N 3.24Å
364S33.4Very low34.3Very low125 Ų125144.3 Ų144.387%0.87478%0.779SS**  trans-166.1106.6164.7-96.80000113.2
365L37.4Very low34.2Very low176 Ų176146.5 Ų146.592%0.92178%0.78SS**  trans-120132.8141.6-73161.9000103.3
366G31Very low33.4Very low67 Ų67147.9 Ų147.969%0.69178%0.781SS**  cis89.4104.13800000107.7
367E32.5Very low33Very low182 Ų182145.8 Ų145.885%0.8577%0.774SS**  cis179.3165.60.6-122.5-177.5153.700104.8
368S32.9Very low32.7Very low114 Ų114140.5 Ų140.580%0.79777%0.767SS**  trans50.995152.8-59.70000121.2
369F29.4Very low32.5Very low198 Ų198143.3 Ų143.387%0.86878%0.777SS**  trans-142.2140.7137.8-170.6-96.6000110.4
370G30.2Very low32.2Very low71 Ų71139.2 Ų139.273%0.73278%0.781SS**  trans-173.5113.5-178.400000116.5
371S33Very low32Very low89 Ų89142.4 Ų142.462%0.62280%0.795SS**  trans-161.9133.6160.748.10000106.6
372R28.1Very low31.7Very low187 Ų187141 Ų14171%0.70679%0.787SS**  56.5117.171-157.8-179.7-168.5-179.73.4109.7
373W30.2Very low30.9Very low210 Ų210143.8 Ų143.880%0.79578%0.783SS**  cis-135.6160.538.9-40.273.9000109.2
374D28Very low30.5Very low133 Ų133141.4 Ų141.471%0.71178%0.784SS**  cis91138.222.5-148-2.1000116.5
375T28.2Very low30.4Very low108 Ų108141.6 Ų141.666%0.66377%0.771SS**  trans64.8116.2175.338.20000122.6
376D29.6Very low29.9Very low156 Ų156140.5 Ų140.583%0.83476%0.762SS**  58.1150.8122.1-75.1-13.3000123.6
377A33Very low29.8Very low84 Ų84145 Ų14569%0.69476%0.763SS**  cis-169-179.6-9.500000112.6
378A27.9Very low29.7Very low86 Ų86145 Ų14571%0.71176%0.763SS**  trans86.6115.8145.500000122.2
379W32.4Very low30.4Very low263 Ų263145 Ų145100%0.99676%0.759SS**  trans13.8131.6138.2-54.694.6000121.7
380G27.6Very low30.3Very low80 Ų80144.6 Ų144.683%0.82576%0.76SS**  trans-149150.3158.300000110.3
381M29.8Very low30.3Very low187 Ų187146.9 Ų146.992%0.92176%0.76SS**  trans-139.7129.9-162-171.4158.769.400115.4
382D30.3Very low30.2Very low130 Ų130148 Ų14870%0.69576%0.763SS**  trans66.2144.3151.4-152.3-140.7000123.7
383R28.2Very low30.3Very low172 Ų172146.2 Ų146.265%0.64977%0.766SS**  trans36.5127.5160-82.8160.799.1-174.86.5124.1E385R383-E385 IonicContact CZ-OE2 3.21Å; R383-E385 IonicContact NE-OE2 2.93Å; R383-E385 PolarHBondContact NE-OE2 3.03Å; R383-E385 IonicContact NH2-OE2 3.51Å; R383-E385 PolarHBondContact NH2-OE2 3.35Å
384V28Very low30.2Very low151 Ų151141.1 Ų141.192%0.91576%0.762SS**  -128.9158.9120.5-178.60000107.8
385E29.9Very low30.3Very low129 Ų129140.1 Ų140.160%0.60377%0.765SS**  trans-131.4-176.8-165.4-154.7168.214000112.5R383R383-E385 IonicContact CZ-OE2 3.21Å; R383-E385 IonicContact NE-OE2 2.93Å; R383-E385 PolarHBondContact NE-OE2 3.03Å; R383-E385 IonicContact NH2-OE2 3.51Å; R383-E385 PolarHBondContact NH2-OE2 3.35Å
386E27.7Very low30.6Very low153 Ų153142.4 Ų142.472%0.71577%0.772SS**  trans79.7142.8-177.4-52.5-150.3140.400116.4
387K29.7Very low30.8Very low163 Ų163145.6 Ų145.671%0.70977%0.773SS**  cis-152.6149.5-0.9-128.7177.6-174.286.40111.4
388E28.7Very low30.7Very low182 Ų182147.7 Ų147.785%0.8578%0.779SS**  trans-84.2-179.5165.2-82.4-165.7172.100111.1
389P47.5Very low31Very low112 Ų112151.3 Ų151.373%0.72778%0.784SS**  cis-140.6172.510.643.4-26000118.1
390E28.5Very low31Very low191 Ų191142.8 Ų142.889%0.89377%0.765SS**  -157.5165.1124.4-165.6153.3-171.400110.9
391V30.2Very low31.1Very low118 Ų118147.1 Ų147.172%0.71576%0.764SS**  trans-109.7138.6-165.9-159.50000108.3
392T30.1Very low31.2Very low112 Ų112149.9 Ų149.969%0.68776%0.764SS**  -177.7138.785.541.40000114.8
393I30.2Very low31.1Very low150 Ų150148.2 Ų148.277%0.76977%0.769SS**  trans57.9122.6130.8-58.3170.9000118.3
394S29.2Very low31.3Very low104 Ų104146.6 Ų146.673%0.72778%0.778SS**  cis-163.8148.2-4.9-108.90000112.7
395S29.7Very low31.5Very low111 Ų111147.8 Ų147.878%0.77678%0.779SS**  trans22.8138.7141.4-128.30000120.2
396I34.5Very low31.5Very low156 Ų156152.6 Ų152.680%0.879%0.792SS**  cis-144.9150.140.2-71171.3000111.6
397R32.9Very low31.8Very low224 Ų224157.1 Ų157.185%0.84580%0.802SS**  trans-88.6149.6171.8-58.7176.6-178.7172.8-0.7112.2
398P32.5Very low31.7Very low127 Ų127158 Ų15883%0.82581%0.809SS**  trans-74.8146.1161.432.4-33.1000111.6
399I33.4Very low31.9Very low162 Ų162155.9 Ų155.983%0.83181%0.808SS**  trans-126.2163.4167.8-89.6178.4000108.9
400S32.8Very low31Very low85 Ų85157 Ų15759%0.59480%0.803SS**  trans-33.5161.8-180-154.10000119.5
401E30.1Very low31.3Very low171 Ų171153.7 Ų153.780%0.79980%0.801SS**  trans65.1103.9155.1-74.7146-105.200120.8
402R30.4Very low31.4Very low245 Ų245157 Ų15793%0.92580%0.801SS**  -154.2140.6100.8-154.4162.9-175.180.3-0.6112.3
403A29.5Very low31.4Very low95 Ų95156.9 Ų156.979%0.78581%0.805SS**  trans-81.4145.3-174.200000114.2
404T32.5Very low32.1Very low137 Ų137156.1 Ų156.184%0.8481%0.813SS**  trans-94.8119.9168.749.30000111R406T404-R406 PolarHBondContact O-N 3.41Å; T404-R406 VanDerWaalsContact O-N 3.16Å
405N32.5Very low32.3Very low176 Ų176154 Ų15494%0.94181%0.808SS**  trans-72.2107.2176-86.4-55000111.5
406R29.8Very low32.7Very low231 Ų231156.9 Ų156.987%0.87281%0.814SS**  trans-120.3121158.6-172.4176.9-174.9174.70.7107.6T404 E408T404-R406 PolarHBondContact O-N 3.41Å; T404-R406 VanDerWaalsContact O-N 3.16Å; R406-E408 PolarHBondContact O-N 3.3Å
407R33.3Very low33.5Very low248 Ų248159.2 Ų159.294%0.93682%0.821SS**  trans-69.2125.1173.7-74.6179.2173.4161.9-3.3109
408E28.1Very low34.3Very low180 Ų180151.9 Ų151.984%0.84180%0.804SS**  trans-81162.3165.6-60.5-153.1128.600110.8R406R406-E408 PolarHBondContact O-N 3.3Å
409V33.1Very low35.6Very low139 Ų139149.6 Ų149.684%0.84279%0.792SS**  trans-99.4112.1165.11740000106.1S411V409-S411 PolarHBondContact O-N 2.87Å
410E27.7Very low37.3Very low134 Ų134146.2 Ų146.263%0.62677%0.772SS**  trans-62.6105.7-179.4-77.1-175.568.200111.6R412E410-R412 HydrophobicContact CB-CG 4.16Å; E410-R412 PolarHBondContact O-N 3.16Å; E410-R412 IonicContact OE1-CZ 3.4Å; E410-R412 IonicContact OE1-NE 2.67Å; E410-R412 PolarHBondContact OE1-NE 2.74Å; E410-R412 IonicContact OE1-NH2 2.61Å; E410-R412 PolarHBondContact OE1-NH2 3.4Å; E410-R412 IonicContact OE2-NH2 2.74Å; E410-R412 PolarHBondContact OE2-NH2 3.27Å
411S35.5Very low38.8Very low122 Ų122143.7 Ų143.785%0.85376%0.756SS**  trans-73.589.4163.9560000109.5V409V409-S411 PolarHBondContact O-N 2.87Å
412R31.5Very low40.6Very low187 Ų187146.1 Ų146.171%0.70676%0.758SS**  trans-81138.9179.8-71.3-165.9171.1-164.7-0.4112.9E410E410-R412 HydrophobicContact CB-CG 4.16Å; E410-R412 PolarHBondContact O-N 3.16Å; E410-R412 IonicContact OE1-CZ 3.4Å; E410-R412 IonicContact OE1-NE 2.67Å; E410-R412 PolarHBondContact OE1-NE 2.74Å; E410-R412 IonicContact OE1-NH2 2.61Å; E410-R412 PolarHBondContact OE1-NH2 3.4Å; E410-R412 IonicContact OE2-NH2 2.74Å; E410-R412 PolarHBondContact OE2-NH2 3.27Å
413S31.4Very low42.7Very low110 Ų110141.6 Ų141.677%0.76975%0.747SS**  trans51.189.4166.555.10000117.2G415S413-G415 PolarHBondContact O-N 3.27Å
414S43.8Very low44.8Very low134 Ų134143.8 Ų143.894%0.93774%0.739SS**  trans-62.4106.4141.452.50000108.8
415G33.8Very low46.9Very low61 Ų61140.3 Ų140.363%0.62971%0.712SS**  trans-140107-175.900000112.3S413S413-G415 PolarHBondContact O-N 3.27Å
416L38.7Very low49Very low171 Ų171136 Ų13690%0.89570%0.702SS**  trans50.1103.8167-56.6176.7000116.4S418L416-S418 VanDerWaalsContact C-N 3.31Å; L416-S418 PolarHBondContact O-N 3.23Å
417E50Low51.4Low205 Ų205129 Ų12996%0.95870%0.702SS**  trans-63.789.5162.7-72-175.586.500110.6S419E417-S419 PolarHBondContact O-N 3.05Å
418S49.3Very low53.5Low69 Ų69119.5 Ų119.548%0.48368%0.676SS.*  trans-72.7117.6179.2-167.30000111L416 E420L416-S418 VanDerWaalsContact C-N 3.31Å; L416-S418 PolarHBondContact O-N 3.23Å; S418-E420 PolarHBondContact O-N 2.9Å; S418-E420 VanDerWaalsContact O-N 3.09Å; S418-E420 WeakPolarHBondContact OG-CB 3.41Å; S418-E420 PolarHBondContact OG-OE2 2.94Å; S418-E420 VanDerWaalsContact OG-OE2 3.11Å
419S59.8Low56Low80 Ų80121.3 Ų121.356%0.55968%0.681SS**THydrogen-bonded Turntrans-62.3-12172.754.10000113.4E417 A421 R422 Q423E417-S419 PolarHBondContact O-N 3.05Å; S419-A421 PolarHBondContact O-N 2.99Å; S419-R422 WeakPolarHBondContact O-CA 3.21Å; S419-R422 VanDerWaalsContact O-CB 3.28Å; S419-R422 WeakPolarHBondContact O-CB 3.36Å; S419-R422 PolarHBondContact O-N 2.97Å; S419-Q423 PolarHBondContact O-N 3.43Å
420E70.1Confident57.9Low91 Ų91118.9 Ų118.943%0.42568%0.675SS.*Hα-helixtrans-52.9-44.2178.2-176.9-174.8171.500114.3S418 R422 Q423 K424S418-E420 PolarHBondContact O-N 2.9Å; S418-E420 VanDerWaalsContact O-N 3.09Å; S418-E420 WeakPolarHBondContact OG-CB 3.41Å; S418-E420 PolarHBondContact OG-OE2 2.94Å; S418-E420 VanDerWaalsContact OG-OE2 3.11Å; E420-R422 PolarHBondContact O-N 3.18Å; E420-Q423 PolarHBondContact O-N 3.29Å; E420-Q423 VanDerWaalsContact O-N 3.16Å; E420-K424 HydrophobicContact CG-CD 3.96Å; E420-K424 HydrophobicContact CG-CG 4.42Å; E420-K424 WeakPolarHBondContact O-CB 3.31Å; E420-K424 WeakPolarHBondContact O-CG 3.25Å; E420-K424 PolarHBondContact O-N 2.97Å; E420-K424 WeakPolarHBondContact OE1-CE 3.34Å; E420-K424 IonicContact OE1-NZ 3.5Å; E420-K424 PolarHBondContact OE1-NZ 3.12Å
421A63.2Low60.2Low31 Ų31115.8 Ų115.826%0.25666%0.662SS.*Hα-helixtrans-62.9-35.7176.900000111.4S419 F425 F436S419-A421 PolarHBondContact O-N 2.99Å; A421-F425 WeakPolarHBondContact O-CD2 3.14Å; A421-F425 PolarHBondContact O-N 3.42Å; A421-F425 VanDerWaalsContact O-N 3.16Å; A421-F436 HydrophobicContact CB-CD2 4.39Å; A421-F436 HydrophobicContact CB-CE2 4.04Å
422R67.9Low62Low223 Ų223112.3 Ų112.384%0.84264%0.638SS**Hα-helixtrans-73-27.2177.5-134.7173.1-172.8164.41.7112.5S419 E420S419-R422 WeakPolarHBondContact O-CA 3.21Å; S419-R422 VanDerWaalsContact O-CB 3.28Å; S419-R422 WeakPolarHBondContact O-CB 3.36Å; S419-R422 PolarHBondContact O-N 2.97Å; E420-R422 PolarHBondContact O-N 3.18Å
423Q74.8Confident64Low150 Ų150106.8 Ų106.870%0.70163%0.628SS**Hα-helixtrans-79.3-47.2171.2-71-177-18.400112.1S419 E420 F425 A426S419-Q423 PolarHBondContact O-N 3.43Å; E420-Q423 PolarHBondContact O-N 3.29Å; E420-Q423 VanDerWaalsContact O-N 3.16Å; Q423-F425 VanDerWaalsContact C-N 3.32Å; Q423-F425 PolarHBondContact O-N 2.96Å; Q423-A426 PolarHBondContact O-N 3.36Å
424K74.9Confident66Low140 Ų140104.7 Ų104.761%0.60961%0.608SS**Hα-helixtrans-61.6-35.7-178.1-77.3177.7172173.60113.3E420E420-K424 HydrophobicContact CG-CD 3.96Å; E420-K424 HydrophobicContact CG-CG 4.42Å; E420-K424 WeakPolarHBondContact O-CB 3.31Å; E420-K424 WeakPolarHBondContact O-CG 3.25Å; E420-K424 PolarHBondContact O-N 2.97Å; E420-K424 WeakPolarHBondContact OE1-CE 3.34Å; E420-K424 IonicContact OE1-NZ 3.5Å; E420-K424 PolarHBondContact OE1-NZ 3.12Å
425F76.1Confident67.5Low64 Ų64102 Ų10228%0.28158%0.582SS.*THydrogen-bonded Turntrans-11118.1-175.7-57.3-62.6000114.2A421 Q423 G427 A428 I431 M435A421-F425 WeakPolarHBondContact O-CD2 3.14Å; A421-F425 PolarHBondContact O-N 3.42Å; A421-F425 VanDerWaalsContact O-N 3.16Å; Q423-F425 VanDerWaalsContact C-N 3.32Å; Q423-F425 PolarHBondContact O-N 2.96Å; F425-G427 PolarHBondContact O-N 3.04Å; F425-A428 HydrophobicContact CB-CB 4.13Å; F425-A428 WeakPolarHBondContact O-CB 3.49Å; F425-A428 PolarHBondContact O-N 3.41Å; F425-I431 HydrophobicContact CB-CG2 3.96Å; F425-I431 HydrophobicContact CD1-CG2 3.94Å; F425-I431 HydrophobicContact CD2-CD1 4.38Å; F425-I431 HydrophobicContact CD2-CG2 4.48Å; F425-I431 HydrophobicContact CG-CG2 3.87Å; F425-M435 HydrophobicContact CE1-CE 3.93Å; F425-M435 HydrophobicContact CZ-CE 4.45Å
426A76.8Confident69.6Low87 Ų87104.3 Ų104.372%0.71958%0.575SS**THydrogen-bonded Turntrans-56.5-24.9-175.900000115.2Q423Q423-A426 PolarHBondContact O-N 3.36Å
427G79Confident71.4Confident84 Ų84102.6 Ų102.687%0.86656%0.56SS**THydrogen-bonded Turntrans-104.73.5176.300000115.3F425F425-G427 PolarHBondContact O-N 3.04Å
428A77.6Confident72.1Confident47 Ų4794.6 Ų94.639%0.38853%0.533SS..  trans-81.5124.1-175.200000111.5F425 A430 I431F425-A428 HydrophobicContact CB-CB 4.13Å; F425-A428 WeakPolarHBondContact O-CB 3.49Å; F425-A428 PolarHBondContact O-N 3.41Å; A428-A430 VanDerWaalsContact C-N 3.27Å; A428-A430 PolarHBondContact O-N 3.16Å; A428-I431 HydrophobicContact CB-CG2 3.74Å
429K80.8Confident72.8Confident218 Ų21899.3 Ų99.395%0.94854%0.54SS*.SBendtrans-73-20.1-179.6-167.6164.3-177.8172.60113.6
430A74.4Confident72.6Confident88 Ų88100.3 Ų100.373%0.72754%0.536SS*.  trans-157157.4164.900000108.4A428A428-A430 VanDerWaalsContact C-N 3.27Å; A428-A430 PolarHBondContact O-N 3.16Å
431I74.8Confident72Confident70 Ų70102.5 Ų102.536%0.35955%0.548SS..  trans-131.8148.716859.1179.8000108.8F425 A428 F436F425-I431 HydrophobicContact CB-CG2 3.96Å; F425-I431 HydrophobicContact CD1-CG2 3.94Å; F425-I431 HydrophobicContact CD2-CD1 4.38Å; F425-I431 HydrophobicContact CD2-CG2 4.48Å; F425-I431 HydrophobicContact CG-CG2 3.87Å; A428-I431 HydrophobicContact CB-CG2 3.74Å; I431-F436 HydrophobicContact CD1-CB 4.03Å; I431-F436 HydrophobicContact CD1-CD2 3.75Å; I431-F436 HydrophobicContact CD1-CG 4.3Å
432S74.3Confident71.9Confident48 Ų48107.1 Ų107.134%0.33657%0.568SS.*  trans-76.2158.717275.80000110.6D434 M435 F436S432-D434 VanDerWaalsContact C-N 3.27Å; S432-D434 PolarHBondContact O-N 3.42Å; S432-M435 PolarHBondContact O-N 2.96Å; S432-M435 WeakPolarHBondContact OG-CB 3.12Å; S432-M435 WeakPolarHBondContact OG-CG 3.18Å; S432-M435 PolarHBondContact OG-N 3.01Å; S432-F436 PolarHBondContact O-N 3.43Å; S432-F436 VanDerWaalsContact O-N 3.12Å
433S73.4Confident71.8Confident72 Ų7299.4 Ų99.450%0.50355%0.552SS.*Hα-helixtrans-57.6-43.7173.7-176.50000111F436 F437S433-F436 WeakPolarHBondContact O-CB 3.43Å; S433-F436 PolarHBondContact O-N 2.99Å; S433-F437 WeakPolarHBondContact O-CD2 3.33Å; S433-F437 PolarHBondContact O-N 3.06Å
434D73.3Confident71.6Confident65 Ų6596.6 Ų96.635%0.34854%0.539SS..Hα-helixtrans-76.1-25.5-175.2-59.3-76.9000113.3S432 G438 R439S432-D434 VanDerWaalsContact C-N 3.27Å; S432-D434 PolarHBondContact O-N 3.42Å; D434-G438 CarbonylContact O-C 3.59Å; D434-G438 PolarHBondContact O-N 2.96Å; D434-R439 HydrophobicContact CB-CB 4.17Å; D434-R439 PolarHBondContact O-N 3.32Å; D434-R439 WeakPolarHBondContact OD1-CD 3.34Å; D434-R439 IonicContact OD1-NH1 3.79Å; D434-R439 PolarHBondContact OD1-NH1 3.23Å
435M74.9Confident71.5Confident78 Ų7898.4 Ų98.438%0.38454%0.543SS..Hα-helixtrans-66.6-40.2164.6-75.9175.179.600111.9F425 S432 G438 E440F425-M435 HydrophobicContact CE1-CE 3.93Å; F425-M435 HydrophobicContact CZ-CE 4.45Å; S432-M435 PolarHBondContact O-N 2.96Å; S432-M435 WeakPolarHBondContact OG-CB 3.12Å; S432-M435 WeakPolarHBondContact OG-CG 3.18Å; S432-M435 PolarHBondContact OG-N 3.01Å; M435-G438 PolarHBondContact O-N 3.24Å; M435-E440 WeakPolarHBondContact CG-OE2 3.35Å
436F76.8Confident71.5Confident110 Ų110100.1 Ų100.148%0.48255%0.552SS.*Hα-helixtrans-68.3-36.8178.5-177.6-101.2000112.2A421 I431 S432 S433A421-F436 HydrophobicContact CB-CD2 4.39Å; A421-F436 HydrophobicContact CB-CE2 4.04Å; I431-F436 HydrophobicContact CD1-CB 4.03Å; I431-F436 HydrophobicContact CD1-CD2 3.75Å; I431-F436 HydrophobicContact CD1-CG 4.3Å; S432-F436 PolarHBondContact O-N 3.43Å; S432-F436 VanDerWaalsContact O-N 3.12Å; S433-F436 WeakPolarHBondContact O-CB 3.43Å; S433-F436 PolarHBondContact O-N 2.99Å
437F78Confident71.4Confident134 Ų13498.2 Ų98.259%0.58854%0.536SS*.THydrogen-bonded Turntrans-93.59.4176.5-61.7-62.5000114.4S433 R439S433-F437 WeakPolarHBondContact O-CD2 3.33Å; S433-F437 PolarHBondContact O-N 3.06Å; F437-R439 VanDerWaalsContact C-N 3.31Å; F437-R439 PolarHBondContact O-N 2.86Å
438G63.4Low71.3Confident37 Ų37101 Ų10138%0.38152%0.521SS..THydrogen-bonded Turntrans71.68.7170.100000117.3D434 M435 E440 M441D434-G438 CarbonylContact O-C 3.59Å; D434-G438 PolarHBondContact O-N 2.96Å; M435-G438 PolarHBondContact O-N 3.24Å; G438-E440 VanDerWaalsContact C-N 3.34Å; G438-E440 PolarHBondContact O-N 3.06Å; G438-M441 PolarHBondContact O-N 2.85Å
439R64.3Low71.3Confident169 Ų169100.9 Ų100.964%0.63852%0.517SS*.THydrogen-bonded Turntrans-69.8-22.3-168-76.2172.6159.4-170.4-6.1115.5D434 F437 M441D434-R439 HydrophobicContact CB-CB 4.17Å; D434-R439 PolarHBondContact O-N 3.32Å; D434-R439 WeakPolarHBondContact OD1-CD 3.34Å; D434-R439 IonicContact OD1-NH1 3.79Å; D434-R439 PolarHBondContact OD1-NH1 3.23Å; F437-R439 VanDerWaalsContact C-N 3.31Å; F437-R439 PolarHBondContact O-N 2.86Å; R439-M441 VanDerWaalsContact C-N 3.3Å; R439-M441 PolarHBondContact O-N 2.69Å
440E56.2Low71.2Confident100 Ų10095.1 Ų95.147%0.46749%0.489SS..Hα-helixtrans-71.1-24-179.9-69.6-179.5140.600113M435 G438 D442 A443 E444M435-E440 WeakPolarHBondContact CG-OE2 3.35Å; G438-E440 VanDerWaalsContact C-N 3.34Å; G438-E440 PolarHBondContact O-N 3.06Å; E440-D442 PolarHBondContact O-N 2.94Å; E440-A443 PolarHBondContact O-N 3.43Å; E440-E444 WeakPolarHBondContact O-CB 3.46Å; E440-E444 PolarHBondContact O-N 3.44Å
441M57.8Low71.4Confident138 Ų13896.2 Ų96.268%0.6848%0.482SS*.Hα-helixtrans-64.4-44.3-174.8-70.4-70156.900112.3G438 R439 Y445G438-M441 PolarHBondContact O-N 2.85Å; R439-M441 VanDerWaalsContact C-N 3.3Å; R439-M441 PolarHBondContact O-N 2.69Å; M441-Y445 WeakPolarHBondContact O-CB 3.36Å; M441-Y445 PolarHBondContact O-N 2.93Å
442D59.9Low71.7Confident128 Ų128100.4 Ų100.468%0.68450%0.5SS*.Hα-helixtrans-68.6-41.1177.3-63.4-41.3000111.3E440 Y445 E446E440-D442 PolarHBondContact O-N 2.94Å; D442-Y445 PolarHBondContact O-N 3.21Å; D442-E446 WeakPolarHBondContact O-CB 3.41Å; D442-E446 PolarHBondContact O-N 2.85Å
443A66.9Low71.7Confident60 Ų60104.8 Ų104.850%0.49652%0.515SS..Hα-helixtrans-68.1-43.2-179.800000112.8E440 A447E440-A443 PolarHBondContact O-N 3.43Å; A443-A447 VanDerWaalsContact O-CB 3.23Å; A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 3.39Å
444E69.6Low71.8Confident91 Ų91102.7 Ų102.743%0.42550%0.498SS..Hα-helixtrans-66.2-39.6172.8-78.3-146.9132.600111.8E440 R448E440-E444 WeakPolarHBondContact O-CB 3.46Å; E440-E444 PolarHBondContact O-N 3.44Å; E444-R448 VanDerWaalsContact O-CB 3.29Å; E444-R448 WeakPolarHBondContact O-CB 3.29Å; E444-R448 VanDerWaalsContact O-CG 3.26Å; E444-R448 WeakPolarHBondContact O-CG 3.26Å; E444-R448 PolarHBondContact O-N 2.82Å; E444-R448 IonicContact OE1-CZ 3.17Å; E444-R448 IonicContact OE1-NH2 3.37Å; E444-R448 PolarHBondContact OE1-NH2 3.47Å; E444-R448 IonicContact OE2-CZ 3.51Å; E444-R448 IonicContact OE2-NH1 2.77Å; E444-R448 PolarHBondContact OE2-NH1 3.46Å; E444-R448 IonicContact OE2-NH2 2.74Å; E444-R448 PolarHBondContact OE2-NH2 2.87Å
445Y73.9Confident72.2Confident178 Ų178104.7 Ų104.770%0.69852%0.518SS*.Hα-helixtrans-66.1-43.8178.7-175.9-98.5000111.3M441 D442 R448 S449M441-Y445 WeakPolarHBondContact O-CB 3.36Å; M441-Y445 PolarHBondContact O-N 2.93Å; D442-Y445 PolarHBondContact O-N 3.21Å; Y445-R448 PolarHBondContact O-N 3.34Å; Y445-S449 VanDerWaalsContact O-CB 3.28Å; Y445-S449 WeakPolarHBondContact O-CB 3.4Å; Y445-S449 PolarHBondContact O-N 2.69Å
446E74.8Confident72.2Confident100 Ų100104.4 Ų104.447%0.46753%0.534SS..Hα-helixtrans-64.9-45.5174.9-169.1179.3-168.700111.5D442 R448 S449 R450D442-E446 WeakPolarHBondContact O-CB 3.41Å; D442-E446 PolarHBondContact O-N 2.85Å; E446-R448 PolarHBondContact O-N 3.48Å; E446-S449 WeakPolarHBondContact O-CB 3.23Å; E446-S449 PolarHBondContact O-N 3Å; E446-R450 VanDerWaalsContact CD-NH2 3.29Å; E446-R450 HydrophobicContact CG-CG 4.45Å; E446-R450 WeakPolarHBondContact O-CG 3.35Å; E446-R450 PolarHBondContact O-N 3.41Å; E446-R450 IonicContact OE1-CZ 2.82Å; E446-R450 IonicContact OE1-NE 2.79Å; E446-R450 PolarHBondContact OE1-NE 3.43Å; E446-R450 IonicContact OE1-NH2 2.69Å; E446-R450 PolarHBondContact OE1-NH2 3.16Å; E446-R450 IonicContact OE2-NH2 3.18Å
447A75.7Confident72.1Confident48 Ų48102 Ų10240%0.39753%0.531SS..Hα-helixtrans-61.3-41.9176.700000112.4A443 L451A443-A447 VanDerWaalsContact O-CB 3.23Å; A443-A447 WeakPolarHBondContact O-CB 3.47Å; A443-A447 PolarHBondContact O-N 3.39Å; A447-L451 WeakPolarHBondContact O-CB 3.39Å; A447-L451 WeakPolarHBondContact O-CG 3.44Å; A447-L451 PolarHBondContact O-N 3.04Å
448R77.6Confident72.1Confident143 Ų143104.3 Ų104.354%0.5455%0.55SS..Hα-helixtrans-65.8-39.5174.1-74.8178.4-176121.713.6111.9E444 Y445 E446 L451 Q452E444-R448 VanDerWaalsContact O-CB 3.29Å; E444-R448 WeakPolarHBondContact O-CB 3.29Å; E444-R448 VanDerWaalsContact O-CG 3.26Å; E444-R448 WeakPolarHBondContact O-CG 3.26Å; E444-R448 PolarHBondContact O-N 2.82Å; E444-R448 IonicContact OE1-CZ 3.17Å; E444-R448 IonicContact OE1-NH2 3.37Å; E444-R448 PolarHBondContact OE1-NH2 3.47Å; E444-R448 IonicContact OE2-CZ 3.51Å; E444-R448 IonicContact OE2-NH1 2.77Å; E444-R448 PolarHBondContact OE2-NH1 3.46Å; E444-R448 IonicContact OE2-NH2 2.74Å; E444-R448 PolarHBondContact OE2-NH2 2.87Å; Y445-R448 PolarHBondContact O-N 3.34Å; E446-R448 PolarHBondContact O-N 3.48Å; R448-L451 PolarHBondContact O-N 3.34Å; R448-Q452 VanDerWaalsContact O-CB 3.28Å; R448-Q452 WeakPolarHBondContact O-CB 3.35Å; R448-Q452 PolarHBondContact O-N 3.49Å
449S76.7Confident72.5Confident43 Ų43106.6 Ų106.630%0.30157%0.565SS.*Hα-helixtrans-62.4-47.6175.3-175.70000111.8Y445 E446 Q452 Q453Y445-S449 VanDerWaalsContact O-CB 3.28Å; Y445-S449 WeakPolarHBondContact O-CB 3.4Å; Y445-S449 PolarHBondContact O-N 2.69Å; E446-S449 WeakPolarHBondContact O-CB 3.23Å; E446-S449 PolarHBondContact O-N 3Å; S449-Q452 PolarHBondContact O-N 2.8Å; S449-Q453 WeakPolarHBondContact O-CG 3.28Å; S449-Q453 PolarHBondContact O-N 3.36Å
450R78.7Confident73Confident98 Ų98103 Ų10337%0.3756%0.557SS.*Hα-helixtrans-59.8-46.9174.6-68.2176-173.8-1617.1111.3E446 Q452 Q453 L454E446-R450 VanDerWaalsContact CD-NH2 3.29Å; E446-R450 HydrophobicContact CG-CG 4.45Å; E446-R450 WeakPolarHBondContact O-CG 3.35Å; E446-R450 PolarHBondContact O-N 3.41Å; E446-R450 IonicContact OE1-CZ 2.82Å; E446-R450 IonicContact OE1-NE 2.79Å; E446-R450 PolarHBondContact OE1-NE 3.43Å; E446-R450 IonicContact OE1-NH2 2.69Å; E446-R450 PolarHBondContact OE1-NH2 3.16Å; E446-R450 IonicContact OE2-NH2 3.18Å; R450-Q452 VanDerWaalsContact C-N 3.34Å; R450-Q452 PolarHBondContact O-N 3.31Å; R450-Q453 PolarHBondContact O-N 3.25Å; R450-L454 WeakPolarHBondContact O-CG 3.28Å; R450-L454 PolarHBondContact O-N 3.5Å
451L78.1Confident73.6Confident110 Ų110100.9 Ų100.958%0.57655%0.554SS**Hα-helixtrans-61.8-38.8175.5-77169.1000112.9A447 R448 Q453 L454 S455A447-L451 WeakPolarHBondContact O-CB 3.39Å; A447-L451 WeakPolarHBondContact O-CG 3.44Å; A447-L451 PolarHBondContact O-N 3.04Å; R448-L451 PolarHBondContact O-N 3.34Å; L451-Q453 VanDerWaalsContact C-N 3.32Å; L451-Q453 PolarHBondContact O-N 3.04Å; L451-L454 PolarHBondContact O-N 3.49Å; L451-S455 WeakPolarHBondContact O-CB 3.28Å; L451-S455 PolarHBondContact O-N 3.37Å
452Q81.2Confident74Confident159 Ų15998.3 Ų98.374%0.74355%0.55SS*.Hα-helixtrans-67.4-32.9177.5-172.8171.70.300112.3R448 S449 R450R448-Q452 VanDerWaalsContact O-CB 3.28Å; R448-Q452 WeakPolarHBondContact O-CB 3.35Å; R448-Q452 PolarHBondContact O-N 3.49Å; S449-Q452 PolarHBondContact O-N 2.8Å; R450-Q452 VanDerWaalsContact C-N 3.34Å; R450-Q452 PolarHBondContact O-N 3.31Å
453Q74.8Confident74.5Confident139 Ų13995.1 Ų95.165%0.6554%0.537SS*.Hα-helixtrans-70.6-42.9171.6-67.6170.624.300111.8S449 R450 L451 S455S449-Q453 WeakPolarHBondContact O-CG 3.28Å; S449-Q453 PolarHBondContact O-N 3.36Å; R450-Q453 PolarHBondContact O-N 3.25Å; L451-Q453 VanDerWaalsContact C-N 3.32Å; L451-Q453 PolarHBondContact O-N 3.04Å; Q453-S455 VanDerWaalsContact C-N 3.31Å; Q453-S455 PolarHBondContact O-N 2.74Å
454L75.4Confident74.8Confident28 Ų2896.7 Ų96.715%0.14754%0.537CS..Hα-helixtrans-69.6-24.5179.3-67.9174.1000113.6R450 L451 G456 S457 I460 D464 L465R450-L454 WeakPolarHBondContact O-CG 3.28Å; R450-L454 PolarHBondContact O-N 3.5Å; L451-L454 PolarHBondContact O-N 3.49Å; L454-G456 PolarHBondContact O-N 3.06Å; L454-S457 PolarHBondContact O-N 2.74Å; L454-I460 HydrophobicContact CB-CD1 4.2Å; L454-I460 HydrophobicContact CD1-CG2 4.39Å; L454-I460 HydrophobicContact CD2-CD1 4.44Å; L454-I460 HydrophobicContact CD2-CG1 4.21Å; L454-I460 HydrophobicContact CD2-CG2 3.97Å; L454-D464 HydrophobicContact CD2-CB 4.41Å; L454-L465 HydrophobicContact CD1-CD1 4.16Å
455S80.8Confident74.9Confident108 Ų10896.4 Ų96.476%0.75554%0.538SS*.THydrogen-bonded Turntrans-57.7-20179.1-165.70000114.5L451 Q453L451-S455 WeakPolarHBondContact O-CB 3.28Å; L451-S455 PolarHBondContact O-N 3.37Å; Q453-S455 VanDerWaalsContact C-N 3.31Å; Q453-S455 PolarHBondContact O-N 2.74Å
456G75.9Confident75Confident71 Ų7195 Ų9573%0.73254%0.536SS*.THydrogen-bonded Turntrans-91.1-3.7175.500000115.7L454L454-G456 PolarHBondContact O-N 3.06Å
457S75.4Confident74.3Confident61 Ų6192 Ų9243%0.42753%0.531SS..  trans-107.8116.9-164-65.80000113.4L454 A459L454-S457 PolarHBondContact O-N 2.74Å; S457-A459 PolarHBondContact O-N 3.48Å; S457-A459 VanDerWaalsContact O-N 3.16Å
458N76.1Confident73Confident182 Ų18296.1 Ų96.197%0.97355%0.547SS*.SBendtrans-70.8-4.2177.8-74.6-35.6000114.7
459A72.4Confident71.8Confident85 Ų8597.7 Ų97.770%0.70256%0.562SS**SBendtrans-147.9142.9169.300000108.6S457S457-A459 PolarHBondContact O-N 3.48Å; S457-A459 VanDerWaalsContact O-N 3.16Å
460I74.6Confident70Confident92 Ų92103 Ų10347%0.47259%0.587SS.*  trans-123.7125.4-179.6-59.7176.9000107.7L454 L465L454-I460 HydrophobicContact CB-CD1 4.2Å; L454-I460 HydrophobicContact CD1-CG2 4.39Å; L454-I460 HydrophobicContact CD2-CD1 4.44Å; L454-I460 HydrophobicContact CD2-CG1 4.21Å; L454-I460 HydrophobicContact CD2-CG2 3.97Å; I460-L465 HydrophobicContact CG2-CB 4.22Å
461S69.5Low68Low57 Ų57101.7 Ų101.740%0.39960%0.604SS.*  trans-82.4150.2172.4-177.20000110.9S463 D464 L465S461-S463 VanDerWaalsContact CB-OG 3.25Å; S461-S463 WeakPolarHBondContact CB-OG 3.14Å; S461-S463 PolarHBondContact O-N 2.61Å; S461-S463 PolarHBondContact OG-N 2.87Å; S461-S463 PolarHBondContact OG-OG 3.22Å; S461-D464 VanDerWaalsContact CB-OD2 3.31Å; S461-D464 WeakPolarHBondContact CB-OD2 3.34Å; S461-D464 PolarHBondContact O-N 3Å; S461-L465 PolarHBondContact O-N 3.24Å
462S65.1Low66Low84 Ų84101.3 Ų101.359%0.58762%0.617SS**Hα-helixtrans-63.2-25.2173.7-166.60000112.4D464 F466S462-D464 VanDerWaalsContact C-N 3.31Å; S462-F466 WeakPolarHBondContact O-CD2 3.07Å; S462-F466 PolarHBondContact O-N 2.84Å
463S71.9Confident63.9Low60 Ų60103.1 Ų103.142%0.4263%0.625SS.*Hα-helixtrans-61-40.517147.20000112.3S461 G467S461-S463 VanDerWaalsContact CB-OG 3.25Å; S461-S463 WeakPolarHBondContact CB-OG 3.14Å; S461-S463 PolarHBondContact O-N 2.61Å; S461-S463 PolarHBondContact OG-N 2.87Å; S461-S463 PolarHBondContact OG-OG 3.22Å; S463-G467 WeakPolarHBondContact O-CA 3.39Å; S463-G467 PolarHBondContact O-N 3.11Å
464D72.9Confident61.8Low93 Ų93100.3 Ų100.350%0.49763%0.633SS.*Hα-helixtrans-87.1-26.2-167.3-42.8-17.4000110.9L454 S461 S462L454-D464 HydrophobicContact CD2-CB 4.41Å; S461-D464 VanDerWaalsContact CB-OD2 3.31Å; S461-D464 WeakPolarHBondContact CB-OD2 3.34Å; S461-D464 PolarHBondContact O-N 3Å; S462-D464 VanDerWaalsContact C-N 3.31Å
465L71.2Confident59.9Low85 Ų85104.2 Ų104.245%0.44567%0.67SS.*Hα-helixtrans-77-40.7175-176.361000112.5L454 I460 S461L454-L465 HydrophobicContact CD1-CD1 4.16Å; I460-L465 HydrophobicContact CG2-CB 4.22Å; S461-L465 PolarHBondContact O-N 3.24Å
466F76.6Confident57.8Low150 Ų150103 Ų10366%0.65868%0.675SS**Hα-helixtrans-101.9-27.6-173.5-65.8-69.8000114.3S462S462-F466 WeakPolarHBondContact O-CD2 3.07Å; S462-F466 PolarHBondContact O-N 2.84Å
467G60.4Low55.7Low35 Ų35105.4 Ų105.436%0.36168%0.68SS.*THydrogen-bonded Turntrans71.781.9178.400000112.9S463 M469S463-G467 WeakPolarHBondContact O-CA 3.39Å; S463-G467 PolarHBondContact O-N 3.11Å; G467-M469 PolarHBondContact O-N 2.81Å
468D46.9Very low54.4Low136 Ų136109 Ų10973%0.72770%0.699SS**  trans-62.6120.5177.7-16272.5000110.9
469M53.7Low52.5Low175 Ų175106.1 Ų106.186%0.86269%0.694SS**  trans-133.652.4-169.3-92.1-71.9106.200112G467G467-M469 PolarHBondContact O-N 2.81Å
470D39.4Very low51.3Low154 Ų154110.8 Ų110.882%0.82471%0.705SS**  trans-125.8117.7175.1-104.7-48.2000113.8
471G35.3Very low49.7Very low71 Ų71109.3 Ų109.373%0.73271%0.713SS**  trans78.951.7139.800000120.5H473G471-H473 VanDerWaalsContact C-N 3.32Å; G471-H473 PolarHBondContact O-N 3.16Å
472A37Very low48.3Very low103 Ų103114.6 Ų114.685%0.85174%0.737SS**  trans-73.367.9174.100000115.5
473H35.9Very low47.4Very low196 Ų196117.4 Ų117.491%0.90775%0.75SS**  trans-148.5128.8166.7-81.1-33.1000113.1G471G471-H473 VanDerWaalsContact C-N 3.32Å; G471-H473 PolarHBondContact O-N 3.16Å
474G30.8Very low45.8Very low80 Ų80122 Ų12283%0.82577%0.769SS**  trans104.268.8156.900000118.5
475A35.9Very low44.3Very low110 Ų110123.5 Ų123.591%0.90978%0.784SS**  trans19.6123.815100000121.5
476G37.2Very low43Very low83 Ų83126.2 Ų126.286%0.85680%0.804SS**  115.180.4123.100000119.1
477S31.7Very low41.3Very low121 Ų121123.3 Ų123.385%0.84681%0.808SS**  trans-149139.7142.4-168.20000110.4
478V48Very low40.8Very low137 Ų137125.9 Ų125.983%0.8381%0.813SS**  trans-97.7141.9-179.6-70.70000111.1
479S36.3Very low41.3Very low122 Ų122125.7 Ų125.785%0.85381%0.811SS**  trans-128.1111.9165.1-77.60000109.1G481S479-G481 PolarHBondContact O-N 3.42Å
480L47.6Very low41.6Very low182 Ų182120.4 Ų120.495%0.95380%0.795SS**  trans-84.896.9-172.3-168.287000110.2
481G40.9Very low42.4Very low61 Ų61119.7 Ų119.763%0.62979%0.787SS**  trans-170.655.2-171.700000117.6S479S479-G481 PolarHBondContact O-N 3.42Å
482N39.6Very low43.1Very low168 Ų168123.7 Ų123.790%0.89878%0.784SS**  trans-178.391.5143.9-95.5-17.5000111.1
483V45.8Very low44Very low144 Ų144126 Ų12687%0.87378%0.775SS**  trans-111.285.1168.8-178.20000108.9
484L38.4Very low45Very low157 Ų157124 Ų12482%0.82277%0.766SS**  trans-163.3121.2159-104.5179.1000108.9T486L484-T486 PolarHBondContact O-N 3.09Å
485P42.1Very low45.9Very low124 Ų124122 Ų12281%0.80575%0.746SS**  trans-86.3100.7179.332.4-32000111.3A487P485-A487 PolarHBondContact O-N 2.95Å
486T42.4Very low46.6Very low141 Ų141121.4 Ų121.487%0.86573%0.731SS**  trans-79.9116.2165.6-48.40000108.5L484 D488L484-T486 PolarHBondContact O-N 3.09Å; T486-D488 PolarHBondContact O-N 3.31Å
487A42.3Very low47.4Very low89 Ų89126 Ų12674%0.73673%0.727SS**  trans-70.3128.6-164.100000114.6P485 I489P485-A487 PolarHBondContact O-N 2.95Å; A487-I489 PolarHBondContact O-N 2.9Å
488D49Very low48.4Very low89 Ų89123.8 Ų123.848%0.47671%0.712SS.*  trans-72.994.7165.6-172.8-30.5000109.9T486 A490 Q491T486-D488 PolarHBondContact O-N 3.31Å; D488-A490 VanDerWaalsContact C-N 3.27Å; D488-A490 PolarHBondContact O-N 3.5Å; D488-A490 WeakPolarHBondContact OD1-CA 3.38Å; D488-A490 WeakPolarHBondContact OD1-CB 3.44Å; D488-A490 PolarHBondContact OD1-N 2.75Å; D488-Q491 PolarHBondContact OD1-N 3.27Å; D488-Q491 WeakPolarHBondContact OD2-CG 3.36Å; D488-Q491 PolarHBondContact OD2-NE2 3.12Å
489I58.5Low48.5Very low132 Ų132121.9 Ų121.968%0.67770%0.701SS**THydrogen-bonded Turntrans-84.20.5179.1-152.9166.3000113.1A487A487-I489 PolarHBondContact O-N 2.9Å
490A58.5Low49.2Very low64 Ų64119.8 Ų119.853%0.52969%0.69SS.*THydrogen-bonded Turntrans-89-49.6179.800000111.3D488 F492 K493D488-A490 VanDerWaalsContact C-N 3.27Å; D488-A490 PolarHBondContact O-N 3.5Å; D488-A490 WeakPolarHBondContact OD1-CA 3.38Å; D488-A490 WeakPolarHBondContact OD1-CB 3.44Å; D488-A490 PolarHBondContact OD1-N 2.75Å; A490-F492 VanDerWaalsContact C-N 3.3Å; A490-F492 PolarHBondContact O-N 3.26Å; A490-K493 PolarHBondContact O-N 3.16Å; A490-K493 VanDerWaalsContact O-N 3.12Å
491Q56.7Low49.4Very low139 Ų139113.5 Ų113.565%0.6567%0.669SS**Hα-helixtrans-58.6-39.2-176.7-70.9-176.53800112.9D488 K493 Q494 G495D488-Q491 PolarHBondContact OD1-N 3.27Å; D488-Q491 WeakPolarHBondContact OD2-CG 3.36Å; D488-Q491 PolarHBondContact OD2-NE2 3.12Å; Q491-K493 VanDerWaalsContact C-N 3.28Å; Q491-K493 PolarHBondContact O-N 3.16Å; Q491-Q494 PolarHBondContact O-N 3.46Å; Q491-G495 PolarHBondContact O-N 3.26Å; Q491-G495 VanDerWaalsContact O-N 3.16Å
492F50.9Low50Low156 Ų156118.4 Ų118.468%0.68467%0.673SS**Hα-helixtrans-59.4-35.7178.9-171.3-104.7000113.2A490 V496A490-F492 VanDerWaalsContact C-N 3.3Å; A490-F492 PolarHBondContact O-N 3.26Å; F492-V496 HydrophobicContact CE1-CG2 4.43Å; F492-V496 HydrophobicContact CZ-CG2 4.37Å
493K56.3Low50.4Low151 Ų151117.4 Ų117.466%0.65767%0.665SS**Hα-helixtrans-76.8-21.2-177.2-72.6-178.7177.51760113.9A490 Q491A490-K493 PolarHBondContact O-N 3.16Å; A490-K493 VanDerWaalsContact O-N 3.12Å; Q491-K493 VanDerWaalsContact C-N 3.28Å; Q491-K493 PolarHBondContact O-N 3.16Å
494Q55.7Low50.7Low153 Ų153113.9 Ų113.972%0.71565%0.651SS**Hα-helixtrans-85.6-37.5172-76.1178.6-32.900112Q491 V496 K497 S498Q491-Q494 PolarHBondContact O-N 3.46Å; Q494-V496 PolarHBondContact O-N 3.25Å; Q494-K497 PolarHBondContact O-N 3.19Å; Q494-S498 PolarHBondContact O-N 2.67Å
495G50.3Low51.6Low40 Ų40112.2 Ų112.241%0.41265%0.647SS.*Hα-helixtrans-54.6-46.9178.800000113.7Q491 K497 S498Q491-G495 PolarHBondContact O-N 3.26Å; Q491-G495 VanDerWaalsContact O-N 3.16Å; G495-K497 VanDerWaalsContact C-N 3.26Å; G495-K497 PolarHBondContact O-N 3.34Å; G495-S498 PolarHBondContact O-N 2.93Å; G495-S498 VanDerWaalsContact O-N 3.16Å
496V50.2Low52.1Low96 Ų96112.6 Ų112.658%0.58264%0.642SS**Hα-helixtrans-64.8-26.3-177.5-1790000113.1F492 Q494F492-V496 HydrophobicContact CE1-CG2 4.43Å; F492-V496 HydrophobicContact CZ-CG2 4.37Å; Q494-V496 PolarHBondContact O-N 3.25Å
497K53.6Low52.6Low179 Ų179109 Ų10978%0.77863%0.626SS**Hα-helixtrans-81.1-22.2176.8-74.3-171.1174.1-174.60114Q494 G495Q494-K497 PolarHBondContact O-N 3.19Å; G495-K497 VanDerWaalsContact C-N 3.26Å; G495-K497 PolarHBondContact O-N 3.34Å
498S52.5Low53.1Low76 Ų76111 Ų11153%0.53163%0.625SS.*Hα-helixtrans-79.7-34.9-176.7-162.20000113.1Q494 G495Q494-S498 PolarHBondContact O-N 2.67Å; G495-S498 PolarHBondContact O-N 2.93Å; G495-S498 VanDerWaalsContact O-N 3.16Å
499V51.5Low53.5Low97 Ų97109.4 Ų109.459%0.58863%0.629SS**Hα-helixtrans-72.9-37.4-175.2-178.50000112.4G501 K502V499-G501 VanDerWaalsContact C-N 3.27Å; V499-G501 PolarHBondContact O-N 3.47Å; V499-K502 PolarHBondContact O-N 3.23Å
500A51.3Low53.4Low77 Ų77107.3 Ų107.364%0.63662%0.622SS**Hα-helixtrans-59.2-34.1-177.600000113.6K502A500-K502 PolarHBondContact O-N 3.17Å
501G51.3Low53.3Low50 Ų50110.6 Ų110.652%0.51563%0.628SS.*Hα-helixtrans-73.3-21.6-179.600000114.9V499V499-G501 VanDerWaalsContact C-N 3.27Å; V499-G501 PolarHBondContact O-N 3.47Å
502K53.8Low53.2Low164 Ų164109.5 Ų109.571%0.71363%0.627SS**Hα-helixtrans-98.2-10-170-70.4-172.1175.8-177.60115.4V499 A500V499-K502 PolarHBondContact O-N 3.23Å; A500-K502 PolarHBondContact O-N 3.17Å
503M48.3Very low53.6Low148 Ų148104.6 Ų104.673%0.72961%0.612SS**Hα-helixtrans-88.8-27.5169.5-75.7-172.2168.300113.4V505 L506M503-V505 VanDerWaalsContact C-N 3.27Å; M503-V505 PolarHBondContact O-N 3.24Å; M503-L506 PolarHBondContact O-N 3.33Å
504A51.3Low53.6Low69 Ų69102.3 Ų102.357%0.5761%0.606SS**Hα-helixtrans-62.2-30-176.600000114.1
505V56.4Low53.7Low122 Ų122101.7 Ų101.774%0.73960%0.603SS**Hα-helixtrans-81-22.2-175.8-177.10000112.9M503M503-V505 VanDerWaalsContact C-N 3.27Å; M503-V505 PolarHBondContact O-N 3.24Å
506L52.3Low53.9Low132 Ų132107.2 Ų107.269%0.69162%0.624SS**Hα-helixtrans-87.4-21.5-179.5-74.4167.4000113.6M503M503-L506 PolarHBondContact O-N 3.33Å
507A53.4Low54.3Low65 Ų65112 Ų11254%0.53763%0.631SS.*Hα-helixtrans-69.6-42.7-177.300000113.5G509 V510A507-G509 VanDerWaalsContact C-N 3.32Å; A507-G509 PolarHBondContact O-N 3.45Å; A507-V510 PolarHBondContact O-N 3.37Å
508N52.7Low54.7Low133 Ų133113.2 Ų113.271%0.71163%0.632SS**Hα-helixtrans-69.8-24.3-177.4-90.5-9.9000114
509G57.4Low55Low55 Ų55113 Ų11357%0.56764%0.641SS**Hα-helixtrans-71.6-33.5178.600000113.5A507A507-G509 VanDerWaalsContact C-N 3.32Å; A507-G509 PolarHBondContact O-N 3.45Å
510V57.1Low55Low87 Ų87113.2 Ų113.253%0.52765%0.648SS.*Hα-helixtrans-81-38.5-175.2-178.90000111.7A507 N512 S513 L514A507-V510 PolarHBondContact O-N 3.37Å; V510-N512 PolarHBondContact O-N 3.4Å; V510-S513 PolarHBondContact O-N 3.45Å; V510-S513 VanDerWaalsContact O-N 3.13Å; V510-S513 PolarHBondContact O-OG 2.71Å; V510-L514 HydrophobicContact CG1-CD1 4.27Å; V510-L514 PolarHBondContact O-N 3.13Å
511M55.8Low54.7Low133 Ų133124.2 Ų124.266%0.65568%0.675SS**Hα-helixtrans-66.2-40.6-171-163.2152.1-175.800113.3S513 L514 Q515M511-S513 VanDerWaalsContact C-N 3.3Å; M511-S513 PolarHBondContact O-N 3.38Å; M511-L514 PolarHBondContact O-N 3.23Å; M511-Q515 PolarHBondContact O-N 3.16Å
512N55.8Low54.9Low116 Ų116127.9 Ų127.962%0.6268%0.683SS**Hα-helixtrans-61.8-37.5173.6-71.91000112V510 L514 Q515 D516V510-N512 PolarHBondContact O-N 3.4Å; N512-L514 PolarHBondContact O-N 3.26Å; N512-Q515 PolarHBondContact O-N 3.3Å; N512-D516 PolarHBondContact O-N 3.2Å
513S57.8Low55Low54 Ų54126 Ų12638%0.37868%0.681SS.*Hα-helixtrans-70.5-13.6-178.179.40000115.1V510 M511V510-S513 PolarHBondContact O-N 3.45Å; V510-S513 VanDerWaalsContact O-N 3.13Å; V510-S513 PolarHBondContact O-OG 2.71Å; M511-S513 VanDerWaalsContact C-N 3.3Å; M511-S513 PolarHBondContact O-N 3.38Å
514L56.1Low55.3Low102 Ų102124.8 Ų124.853%0.53468%0.679SS.*Hα-helixtrans-94.1-36.4172.7-83.7162.2000112V510 M511 N512 R517 Y518V510-L514 HydrophobicContact CG1-CD1 4.27Å; V510-L514 PolarHBondContact O-N 3.13Å; M511-L514 PolarHBondContact O-N 3.23Å; N512-L514 PolarHBondContact O-N 3.26Å; L514-R517 PolarHBondContact O-N 3.26Å; L514-R517 VanDerWaalsContact O-N 3.16Å; L514-Y518 PolarHBondContact O-N 3.3Å
515Q58.1Low55.6Low140 Ų140128.1 Ų128.165%0.65469%0.685SS**Hα-helixtrans-68-40-179.4-165.8157.5-9.600112M511 N512 R517 G519M511-Q515 PolarHBondContact O-N 3.16Å; N512-Q515 PolarHBondContact O-N 3.3Å; Q515-R517 PolarHBondContact O-N 3.23Å; Q515-G519 PolarHBondContact O-N 3.22Å
516D55.6Low55.5Low157 Ų157128.4 Ų128.484%0.8468%0.682SS**Hα-helixtrans-64.9-16.9172.2-91.3-14.6000114.1N512N512-D516 PolarHBondContact O-N 3.2Å
517R58.4Low55.7Low196 Ų196128.2 Ų128.274%0.7468%0.681SS**Hα-helixtrans-108.3-3.9-173.1-138.6-171.2-59.4-154.31.6115.4L514 Q515L514-R517 PolarHBondContact O-N 3.26Å; L514-R517 VanDerWaalsContact O-N 3.16Å; Q515-R517 PolarHBondContact O-N 3.23Å
518Y60.8Low55.9Low205 Ų205132.7 Ų132.780%0.80469%0.691SS**Hα-helixtrans-1323174-83.5-81.7000113.9L514 S520L514-Y518 PolarHBondContact O-N 3.3Å; Y518-S520 PolarHBondContact O-N 3.17Å; Y518-S520 VanDerWaalsContact O-N 3.17Å
519G59.1Low56.2Low70 Ų70132.7 Ų132.772%0.72269%0.69SS**  trans-8023.6179.800000116.4Q515Q515-G519 PolarHBondContact O-N 3.22Å
520S52.7Low56.1Low103 Ų103139.2 Ų139.272%0.7270%0.7SS**  trans-147.274.7-176.3-175.50000113.1Y518Y518-S520 PolarHBondContact O-N 3.17Å; Y518-S520 VanDerWaalsContact O-N 3.17Å
521Y45.3Very low56Low307 Ų307143.9 Ų143.9100%1.20472%0.715SS**  trans-159.10146.1-107.5-65.2000110.4

Retrieved 521 of 521 residues in 795.4 ms (Link to these results)

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