X2JFU0_DROME Loading...

Merlin, isoform B

AlphaFold DB (Q24564), UniProt , Accession X2JFU0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Mer, Length 635 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
1M43.7Very low52Low241 Ų241152 Ų152100%1.18781%0.809SS**  0135.90-68.3178.6172.800107.6
2S42.8Very low55.1Low124 Ų124141.3 Ų141.387%0.86775%0.752SS**  trans-114.8111.7-164.9-53.80000112
3P48.3Very low58Low107 Ų107133.9 Ų133.970%0.69572%0.719SS**  trans-109.359.6-170.440.6-33.7000113.8
4F49.6Very low60.6Low204 Ų204124.6 Ų124.690%0.89567%0.669SS**  trans-131.285.6175-72.3-70.1000112.2
5G41.7Very low63Low77 Ų77120.9 Ų120.979%0.79464%0.641SS**  trans-73.3134.1170.300000111.7K7G5-K7 PolarHBondContact O-N 3.25Å
6S40.2Very low65.1Low115 Ų115113.3 Ų113.380%0.80460%0.601SS**  trans-70.9116.6-177.546.20000112.1K8S6-K8 PolarHBondContact O-N 2.78Å
7K45.2Very low67Low197 Ų197107.8 Ų107.886%0.85757%0.574SS**  trans-67.7105171.3-74.6-179178.3174.40109.5G5 N9G5-K7 PolarHBondContact O-N 3.25Å; K7-N9 PolarHBondContact O-N 3.08Å
8K49.2Very low68.5Low196 Ų196102.6 Ų102.685%0.85255%0.547SS*.  trans-64.293.4165.9-73.9-173.6175.6-1770109.5S6 R10S6-K8 PolarHBondContact O-N 2.78Å; K8-R10 PolarHBondContact O-N 3.1Å
9N53.5Low69.7Low131 Ų131100.9 Ų100.970%0.70154%0.535SS*.  trans-60.3105.3164.7-95.93.5000108.1K7 S11K7-N9 PolarHBondContact O-N 3.08Å; N9-S11 PolarHBondContact O-N 2.82Å
10R72Confident70.9Confident220 Ų220100.2 Ų100.283%0.8353%0.531SS*.  trans-73.4113.3169.7-62.2-177.4-177.6-171.30.2107.5K8 P29K8-R10 PolarHBondContact O-N 3.1Å; R10-P29 WeakPolarHBondContact O-CG 3.37Å
11S85.8Confident72Confident60 Ų6097.2 Ų97.242%0.4252%0.518SS..PPolyproline II helixtrans-68.5158169.654.80000111.1N9 L27N9-S11 PolarHBondContact O-N 2.82Å; S11-L27 CarbonylContact C-O 3.51Å; S11-L27 WeakPolarHBondContact CA-O 3.48Å; S11-L27 WeakPolarHBondContact CB-O 3.11Å
12L88.9Confident74.5Confident24 Ų2491.2 Ų91.213%0.12649%0.487CS..EExtended strand (participates in β ladder)trans-90.7120.4167.1-50.8177.8000108.1K26 L27 R73 Y86L12-K26 CarbonylContact O-C 3.58Å; L12-K26 WeakPolarHBondContact O-CA 3.29Å; L12-L27 HydrophobicContact CB-CB 4.35Å; L12-L27 PolarHBondContact N-O 3.47Å; L12-L27 PolarHBondContact O-N 2.7Å; L12-R73 HydrophobicContact CD1-CB 4.03Å; L12-R73 HydrophobicContact CD1-CG 4.05Å; L12-Y86 HydrophobicContact CB-CD2 4.35Å; L12-Y86 HydrophobicContact CB-CE2 4.03Å; L12-Y86 HydrophobicContact CD1-CE2 4.42Å; L12-Y86 HydrophobicContact CD2-CE2 4.1Å; L12-Y86 HydrophobicContact CG-CE2 4.4Å
13S93.1Very high77Confident45 Ų4586.7 Ų86.732%0.31545%0.453SS..EExtended strand (participates in β ladder)trans-81.7131.5172.6-61.10000109.8Y86S13-Y86 PolarHBondContact O-N 3.43Å
14V94.7Very high79.2Confident3 Ų387.5 Ų87.52%0.01845%0.448CS..EExtended strand (participates in β ladder)trans-132.5140-175.4-179.10000109.5V16 E24 F25 L27 L36 Y86 F88V14-V16 HydrophobicContact CG1-CG2 4.1Å; V14-E24 CarbonylContact O-C 3.54Å; V14-E24 WeakPolarHBondContact O-CA 3.28Å; V14-F25 PolarHBondContact N-O 3.28Å; V14-F25 PolarHBondContact O-N 3.1Å; V14-L27 HydrophobicContact CG2-CD1 3.7Å; V14-L27 HydrophobicContact CG2-CG 3.86Å; V14-L36 HydrophobicContact CG1-CD1 3.89Å; V14-L36 HydrophobicContact CG1-CD2 3.92Å; V14-Y86 CarbonylContact C-O 3.53Å; V14-Y86 WeakPolarHBondContact CA-O 3.47Å; V14-Y86 HydrophobicContact CG2-CD2 4.4Å; V14-F88 HydrophobicContact CG1-CD2 3.59Å; V14-F88 HydrophobicContact CG1-CE2 3.65Å
15R96Very high81.4Confident69 Ų6979 Ų7926%0.2641%0.411SS..EExtended strand (participates in β ladder)trans-116.4138.4165.1-174.4-179.7-61.6-177.92.6109.5E22 L23 E24 V85 Y86 V87 F88R15-E22 WeakPolarHBondContact CD-OE2 3.13Å; R15-E22 IonicContact CZ-OE2 3.22Å; R15-E22 IonicContact NE-OE2 2.83Å; R15-E22 IonicContact NH1-OE1 3.33Å; R15-E22 IonicContact NH1-OE2 2.85Å; R15-E22 PolarHBondContact NH1-OE2 3.01Å; R15-L23 CarbonylContact C-O 3.58Å; R15-L23 WeakPolarHBondContact CA-O 3.22Å; R15-E24 HydrophobicContact CB-CG 4.37Å; R15-E24 HydrophobicContact CG-CG 4.21Å; R15-E24 IonicContact CZ-OE1 3.85Å; R15-E24 IonicContact NE-OE1 2.81Å; R15-E24 PolarHBondContact NE-OE1 2.85Å; R15-E24 IonicContact NH2-OE1 3.34Å; R15-E24 PolarHBondContact NH2-OE1 2.7Å; R15-V85 HydrophobicContact CB-CG1 3.85Å; R15-Y86 PolarHBondContact N-O 3.08Å; R15-V87 WeakPolarHBondContact O-CA 3.36Å; R15-F88 PolarHBondContact O-N 3.47Å
16V97.2Very high83.8Confident0 Ų083.3 Ų83.30%041%0.407CS..EExtended strand (participates in β ladder)trans-126121.4172.8-176.50000108.4V14 L23 F25 L36 V40 L54 F88 F90V14-V16 HydrophobicContact CG1-CG2 4.1Å; V16-L23 PolarHBondContact N-O 3.33Å; V16-L23 PolarHBondContact O-N 3.05Å; V16-F25 HydrophobicContact CB-CE2 4.47Å; V16-F25 HydrophobicContact CG2-CD2 4.24Å; V16-F25 HydrophobicContact CG2-CE2 4.2Å; V16-L36 HydrophobicContact CG2-CD1 4.06Å; V16-V40 HydrophobicContact CB-CG2 4.08Å; V16-V40 HydrophobicContact CG1-CG1 4.33Å; V16-V40 HydrophobicContact CG1-CG2 3.91Å; V16-V40 HydrophobicContact CG2-CG2 3.77Å; V16-L54 HydrophobicContact CB-CD2 4.45Å; V16-L54 HydrophobicContact CG1-CD2 3.46Å; V16-L54 VanDerWaalsContact CG1-CD2 3.46Å; V16-L54 HydrophobicContact CG2-CD2 4.13Å; V16-F88 CarbonylContact C-O 3.55Å; V16-F88 VanDerWaalsContact CA-O 3.31Å; V16-F88 WeakPolarHBondContact CA-O 3.43Å; V16-F88 HydrophobicContact CG2-CB 4.32Å; V16-F88 HydrophobicContact CG2-CD2 4.47Å; V16-F90 HydrophobicContact CG1-CB 3.75Å
17S96.9Very high86.4Confident20 Ų2078.4 Ų78.414%0.1437%0.372CS..EExtended strand (participates in β ladder)trans-106.2131.2177.9-46.50000109.9S21 E22 F88 S89 F90S17-S21 WeakPolarHBondContact CA-O 3.44Å; S17-E22 PolarHBondContact OG-OE1 2.96Å; S17-F88 PolarHBondContact N-O 2.87Å; S17-S89 CarbonylContact O-C 3.51Å; S17-S89 WeakPolarHBondContact O-CA 3.46Å; S17-F90 PolarHBondContact O-N 3.15Å
18T94.3Very high88.6Confident14 Ų1475.3 Ų75.39%0.08636%0.36CS..  trans-90.5-163.7162.960.40000108.5D20 S21 F90 L111T18-D20 VanDerWaalsContact C-N 3.34Å; T18-D20 VanDerWaalsContact CB-OD1 3.27Å; T18-D20 WeakPolarHBondContact CB-OD1 3.39Å; T18-D20 PolarHBondContact OG1-N 3.02Å; T18-D20 PolarHBondContact OG1-OD1 2.76Å; T18-S21 PolarHBondContact N-O 3.42Å; T18-S21 PolarHBondContact OG1-N 2.89Å; T18-S21 PolarHBondContact OG1-O 2.93Å; T18-S21 PolarHBondContact OG1-OG 3.36Å; T18-F90 HydrophobicContact CG2-CB 4.17Å; T18-F90 HydrophobicContact CG2-CD1 4.16Å; T18-L111 HydrophobicContact CG2-CD2 4.19Å
19F92.2Very high90.5Very high71 Ų7167.9 Ų67.931%0.31133%0.332SS..SBendtrans-81.9-13.6170.7-76.4-75.9000113.5Y91 L114 Q115 Q118F19-Y91 HydrophobicContact CD1-CE1 4.49Å; F19-Y91 HydrophobicContact CD2-CD1 4.01Å; F19-Y91 AromaticContact CD2-CE1 3.82Å; F19-Y91 HydrophobicContact CD2-CE1 3.82Å; F19-Y91 AromaticContact CE1-CE1 4Å; F19-Y91 HydrophobicContact CE1-CE1 4Å; F19-Y91 AromaticContact CE2-CD1 3.31Å; F19-Y91 HydrophobicContact CE2-CD1 3.31Å; F19-Y91 AromaticContact CE2-CE1 3.21Å; F19-Y91 HydrophobicContact CE2-CE1 3.21Å; F19-Y91 HydrophobicContact CE2-CG 4.37Å; F19-Y91 HydrophobicContact CG-CE1 4.41Å; F19-Y91 AromaticContact CZ-CD1 3.81Å; F19-Y91 HydrophobicContact CZ-CD1 3.81Å; F19-Y91 AromaticContact CZ-CE1 3.32Å; F19-Y91 HydrophobicContact CZ-CE1 3.32Å; F19-Y91 AromaticContact CZ-CZ 3.85Å; F19-L114 HydrophobicContact CB-CB 3.63Å; F19-L114 HydrophobicContact CB-CD1 3.68Å; F19-L114 HydrophobicContact CB-CG 4.23Å; F19-L114 HydrophobicContact CD2-CB 4.2Å; F19-L114 HydrophobicContact CG-CB 4.04Å; F19-Q115 HydrophobicContact CD2-CB 4.05Å; F19-Q115 VanDerWaalsContact CE2-CA 3.47Å; F19-Q115 HydrophobicContact CE2-CB 3.44Å; F19-Q115 VanDerWaalsContact CE2-CB 3.44Å; F19-Q115 HydrophobicContact CE2-CG 3.65Å; F19-Q115 HydrophobicContact CZ-CB 4.16Å; F19-Q115 HydrophobicContact CZ-CG 4.04Å; F19-Q118 HydrophobicContact CD1-CB 4.37Å; F19-Q118 HydrophobicContact CE1-CB 3.82Å; F19-Q118 HydrophobicContact CE1-CG 3.93Å; F19-Q118 HydrophobicContact CZ-CB 4.34Å
20D91.9Very high92.3Very high86 Ų8670.8 Ų70.846%0.4633%0.333SS..SBendtrans-127.7-10.8-171.459.7-33.5000114.4T18 H110 L114T18-D20 VanDerWaalsContact C-N 3.34Å; T18-D20 VanDerWaalsContact CB-OD1 3.27Å; T18-D20 WeakPolarHBondContact CB-OD1 3.39Å; T18-D20 PolarHBondContact OG1-N 3.02Å; T18-D20 PolarHBondContact OG1-OD1 2.76Å; D20-H110 IonicContact OD2-CD2 2.74Å; D20-L114 HydrophobicContact CB-CD1 3.71Å
21S94.3Very high93.4Very high38 Ų3860.7 Ų60.727%0.26630%0.297SS..  trans-147.7154.6-175.677.10000113.4S17 T18S17-S21 WeakPolarHBondContact CA-O 3.44Å; T18-S21 PolarHBondContact N-O 3.42Å; T18-S21 PolarHBondContact OG1-N 2.89Å; T18-S21 PolarHBondContact OG1-O 2.93Å; T18-S21 PolarHBondContact OG1-OG 3.36Å
22E95.9Very high94Very high115 Ų11559 Ų5954%0.53729%0.285SS..EExtended strand (participates in β ladder)trans-116.6132.2163-61-148.7125.100109.9R15 S17R15-E22 WeakPolarHBondContact CD-OE2 3.13Å; R15-E22 IonicContact CZ-OE2 3.22Å; R15-E22 IonicContact NE-OE2 2.83Å; R15-E22 IonicContact NH1-OE1 3.33Å; R15-E22 IonicContact NH1-OE2 2.85Å; R15-E22 PolarHBondContact NH1-OE2 3.01Å; S17-E22 PolarHBondContact OG-OE1 2.96Å
23L95.7Very high94.4Very high28 Ų2857.9 Ų57.915%0.14728%0.279CS..EExtended strand (participates in β ladder)trans-117.9122.5-178.6-53.4176.1000109.6R15 V16 F25 V40 T43 I44R15-L23 CarbonylContact C-O 3.58Å; R15-L23 WeakPolarHBondContact CA-O 3.22Å; V16-L23 PolarHBondContact N-O 3.33Å; V16-L23 PolarHBondContact O-N 3.05Å; L23-F25 HydrophobicContact CB-CD2 4.44Å; L23-F25 HydrophobicContact CB-CE2 3.55Å; L23-F25 HydrophobicContact CB-CZ 3.67Å; L23-F25 HydrophobicContact CD1-CE2 4.29Å; L23-F25 HydrophobicContact CD1-CZ 4.06Å; L23-F25 HydrophobicContact CG-CZ 4.44Å; L23-V40 HydrophobicContact CD1-CG1 4.25Å; L23-T43 HydrophobicContact CD1-CG2 4.26Å; L23-T43 HydrophobicContact CD2-CG2 4.04Å; L23-I44 HydrophobicContact CD1-CG2 3.85Å
24E95.5Very high94.6Very high125 Ų12559 Ų5958%0.58428%0.279SS*.EExtended strand (participates in β ladder)trans-107.4129176.6-65.7-155.5151.200112.5V14 R15V14-E24 CarbonylContact O-C 3.54Å; V14-E24 WeakPolarHBondContact O-CA 3.28Å; R15-E24 HydrophobicContact CB-CG 4.37Å; R15-E24 HydrophobicContact CG-CG 4.21Å; R15-E24 IonicContact CZ-OE1 3.85Å; R15-E24 IonicContact NE-OE1 2.81Å; R15-E24 PolarHBondContact NE-OE1 2.85Å; R15-E24 IonicContact NH2-OE1 3.34Å; R15-E24 PolarHBondContact NH2-OE1 2.7Å
25F94.5Very high94.7Very high26 Ų2662.8 Ų62.811%0.11430%0.3CS..EExtended strand (participates in β ladder)trans-128.4157.4-175.4-57.2-67.5000112.3V14 V16 L23 L36 L39 V40 T43V14-F25 PolarHBondContact N-O 3.28Å; V14-F25 PolarHBondContact O-N 3.1Å; V16-F25 HydrophobicContact CB-CE2 4.47Å; V16-F25 HydrophobicContact CG2-CD2 4.24Å; V16-F25 HydrophobicContact CG2-CE2 4.2Å; L23-F25 HydrophobicContact CB-CD2 4.44Å; L23-F25 HydrophobicContact CB-CE2 3.55Å; L23-F25 HydrophobicContact CB-CZ 3.67Å; L23-F25 HydrophobicContact CD1-CE2 4.29Å; L23-F25 HydrophobicContact CD1-CZ 4.06Å; L23-F25 HydrophobicContact CG-CZ 4.44Å; F25-L36 HydrophobicContact CD2-CD1 4.1Å; F25-L39 HydrophobicContact CB-CD2 3.97Å; F25-L39 HydrophobicContact CD1-CD1 4.44Å; F25-L39 HydrophobicContact CD1-CD2 3.46Å; F25-L39 VanDerWaalsContact CD1-CD2 3.46Å; F25-L39 HydrophobicContact CD1-CG 3.76Å; F25-L39 HydrophobicContact CD2-CD2 4.43Å; F25-L39 HydrophobicContact CE1-CD1 4.3Å; F25-L39 HydrophobicContact CE1-CD2 3.99Å; F25-L39 HydrophobicContact CE1-CG 3.72Å; F25-L39 HydrophobicContact CG-CD2 3.7Å; F25-L39 HydrophobicContact CG-CG 4.27Å; F25-L39 HydrophobicContact CZ-CG 4.21Å; F25-V40 HydrophobicContact CE2-CG2 3.78Å; F25-V40 HydrophobicContact CZ-CG2 4.39Å; F25-T43 HydrophobicContact CE1-CG2 4.47Å; F25-T43 HydrophobicContact CZ-CG2 4.33Å
26K93.9Very high94.8Very high166 Ų16659.5 Ų59.572%0.72229%0.288SS*.EExtended strand (participates in β ladder)trans-121.5100.1171.6-72.7173-176.6164.70109.2L12L12-K26 CarbonylContact O-C 3.58Å; L12-K26 WeakPolarHBondContact O-CA 3.29Å
27L92.9Very high94.8Very high13 Ų1360 Ų607%0.06829%0.289CS..EExtended strand (participates in β ladder)trans-85.4158.8-179.7-55.9-177.7000112.1S11 L12 V14 A31 L36 L39 V72S11-L27 CarbonylContact C-O 3.51Å; S11-L27 WeakPolarHBondContact CA-O 3.48Å; S11-L27 WeakPolarHBondContact CB-O 3.11Å; L12-L27 HydrophobicContact CB-CB 4.35Å; L12-L27 PolarHBondContact N-O 3.47Å; L12-L27 PolarHBondContact O-N 2.7Å; V14-L27 HydrophobicContact CG2-CD1 3.7Å; V14-L27 HydrophobicContact CG2-CG 3.86Å; L27-A31 HydrophobicContact CB-CB 3.95Å; L27-A31 HydrophobicContact CD1-CB 4.04Å; L27-A31 HydrophobicContact CG-CB 4.47Å; L27-L36 HydrophobicContact CD1-CB 3.92Å; L27-L36 HydrophobicContact CD1-CD1 4.12Å; L27-L36 HydrophobicContact CD1-CD2 4.29Å; L27-L36 HydrophobicContact CD1-CG 4.31Å; L27-L36 HydrophobicContact CD2-CD1 4.22Å; L27-L39 HydrophobicContact CD2-CD2 3.95Å; L27-V72 HydrophobicContact CD1-CG2 4.01Å
28E92.3Very high94.8Very high131 Ų13160.4 Ų60.461%0.61229%0.29SS*.  trans-70.5150.1165.1-65.7-153160.200112.1R30 A31E28-R30 PolarHBondContact O-N 3.06Å; E28-A31 WeakPolarHBondContact O-CB 3.1Å; E28-A31 PolarHBondContact O-N 3.43Å
29P88.7Confident94.9Very high40 Ų4062 Ų6226%0.2630%0.298SS..THydrogen-bonded Turntrans-57.7-1.6172.5-31.339.8000117.3R10 R73R10-P29 WeakPolarHBondContact O-CG 3.37Å; P29-R73 WeakPolarHBondContact O-CD 3.34Å; P29-R73 PolarHBondContact O-NH1 3.17Å
30R92.5Very high95.2Very high192 Ų19258.7 Ų58.773%0.72528%0.283SS*.THydrogen-bonded Turntrans-114.3-7.5-179.7-72.1-177.9171.9-172.3-3.5113.5E28 S32 R71E28-R30 PolarHBondContact O-N 3.06Å; R30-S32 PolarHBondContact O-N 2.87Å; R30-R71 WeakPolarHBondContact O-CD 3.29Å; R30-R71 WeakPolarHBondContact O-CG 3.42Å; R30-R71 PolarHBondContact O-NE 2.9Å
31A95.1Very high95.5Very high8 Ų854.7 Ų54.77%0.06626%0.263CS..  trans-55.1130.8-176.100000112.5L27 E28 D35 R71 V72L27-A31 HydrophobicContact CB-CB 3.95Å; L27-A31 HydrophobicContact CD1-CB 4.04Å; L27-A31 HydrophobicContact CG-CB 4.47Å; E28-A31 WeakPolarHBondContact O-CB 3.1Å; E28-A31 PolarHBondContact O-N 3.43Å; A31-D35 WeakPolarHBondContact CA-OD2 3.48Å; A31-D35 HydrophobicContact CB-CB 4.05Å; A31-R71 WeakPolarHBondContact O-CA 3.48Å; A31-R71 WeakPolarHBondContact O-CB 3.5Å; A31-V72 PolarHBondContact O-N 3.39Å
32S96.9Very high95.6Very high25 Ų2559.1 Ų59.118%0.17527%0.273CS..BIsolated β-bridgetrans-72.7170.2169.368.30000111.5R30 Q34 D35 M68 K70 V72R30-S32 PolarHBondContact O-N 2.87Å; S32-Q34 PolarHBondContact OG-N 2.79Å; S32-D35 VanDerWaalsContact CB-OD2 3.31Å; S32-D35 WeakPolarHBondContact CB-OD2 3.42Å; S32-D35 PolarHBondContact N-OD2 3.35Å; S32-D35 PolarHBondContact O-N 3.46Å; S32-D35 PolarHBondContact OG-N 3.24Å; S32-D35 PolarHBondContact OG-OD2 3.36Å; S32-M68 WeakPolarHBondContact CB-O 3.35Å; S32-K70 CarbonylContact C-O 3.59Å; S32-K70 WeakPolarHBondContact CA-O 3.42Å; S32-V72 WeakPolarHBondContact O-CG2 3.28Å
33G96.9Very high95.6Very high0 Ų057.2 Ų57.20%027%0.269CS..Hα-helixtrans-62.8-35.6168.200000111.8L36 F37 M68 K70G33-L36 PolarHBondContact O-N 2.98Å; G33-F37 WeakPolarHBondContact O-CB 3.19Å; G33-F37 PolarHBondContact O-N 3.46Å; G33-M68 PolarHBondContact N-O 2.96Å; G33-M68 VanDerWaalsContact N-O 3.13Å; G33-K70 PolarHBondContact N-O 2.95Å
34Q97.4Very high95.6Very high68 Ų6857.5 Ų57.532%0.31827%0.271SS..Hα-helixtrans-60.8-44.7175.3-164.768.646.300111.9S32 L36 F37 D38 M68S32-Q34 PolarHBondContact OG-N 2.79Å; Q34-L36 VanDerWaalsContact C-N 3.26Å; Q34-L36 PolarHBondContact O-N 2.81Å; Q34-F37 PolarHBondContact O-N 3.47Å; Q34-F37 VanDerWaalsContact O-N 3.14Å; Q34-D38 PolarHBondContact NE2-OD1 3.35Å; Q34-D38 WeakPolarHBondContact O-CB 3.49Å; Q34-D38 PolarHBondContact O-N 3.06Å; Q34-M68 HydrophobicContact CB-CB 4.16Å; Q34-M68 PolarHBondContact N-O 3.06Å
35D97.3Very high95.6Very high84 Ų8453.5 Ų53.545%0.44926%0.263SS..Hα-helixtrans-58.6-38.1-179.7-67.3-63.9000112.4A31 S32 L39A31-D35 WeakPolarHBondContact CA-OD2 3.48Å; A31-D35 HydrophobicContact CB-CB 4.05Å; S32-D35 VanDerWaalsContact CB-OD2 3.31Å; S32-D35 WeakPolarHBondContact CB-OD2 3.42Å; S32-D35 PolarHBondContact N-OD2 3.35Å; S32-D35 PolarHBondContact O-N 3.46Å; S32-D35 PolarHBondContact OG-N 3.24Å; S32-D35 PolarHBondContact OG-OD2 3.36Å; D35-L39 WeakPolarHBondContact O-CB 3.43Å; D35-L39 PolarHBondContact O-N 2.66Å
36L97.4Very high95.7Very high0 Ų052.3 Ų52.30%026%0.258CS..Hα-helixtrans-73.9-44.8175.1175.457.6000111.4V14 V16 F25 L27 G33 Q34 L39 V40 L54 L66 V72 F88V14-L36 HydrophobicContact CG1-CD1 3.89Å; V14-L36 HydrophobicContact CG1-CD2 3.92Å; V16-L36 HydrophobicContact CG2-CD1 4.06Å; F25-L36 HydrophobicContact CD2-CD1 4.1Å; L27-L36 HydrophobicContact CD1-CB 3.92Å; L27-L36 HydrophobicContact CD1-CD1 4.12Å; L27-L36 HydrophobicContact CD1-CD2 4.29Å; L27-L36 HydrophobicContact CD1-CG 4.31Å; L27-L36 HydrophobicContact CD2-CD1 4.22Å; G33-L36 PolarHBondContact O-N 2.98Å; Q34-L36 VanDerWaalsContact C-N 3.26Å; Q34-L36 PolarHBondContact O-N 2.81Å; L36-L39 WeakPolarHBondContact O-CB 3.38Å; L36-L39 PolarHBondContact O-N 3.08Å; L36-V40 HydrophobicContact CD1-CG2 4.33Å; L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 3.29Å; L36-L54 HydrophobicContact CB-CD1 4.42Å; L36-L54 HydrophobicContact CD2-CD1 3.88Å; L36-L54 HydrophobicContact CG-CD1 3.73Å; L36-L66 HydrophobicContact CD2-CD2 4.12Å; L36-V72 HydrophobicContact CB-CG2 4.33Å; L36-V72 HydrophobicContact CD2-CG2 4.27Å; L36-F88 HydrophobicContact CD2-CD2 3.82Å; L36-F88 HydrophobicContact CD2-CE2 3.7Å; L36-F88 HydrophobicContact CD2-CG 4.45Å; L36-F88 HydrophobicContact CD2-CZ 4.27Å
37F98Very high95.9Very high9 Ų947.9 Ų47.94%0.03924%0.237CC..Hα-helixtrans-62.8-46.3-179.2-172.2-111.5000112G33 Q34 L39 V40 C41 S49 F52 L54 M68 F90G33-F37 WeakPolarHBondContact O-CB 3.19Å; G33-F37 PolarHBondContact O-N 3.46Å; Q34-F37 PolarHBondContact O-N 3.47Å; Q34-F37 VanDerWaalsContact O-N 3.14Å; F37-L39 PolarHBondContact O-N 3.31Å; F37-V40 PolarHBondContact O-N 2.96Å; F37-C41 WeakPolarHBondContact O-CB 3.47Å; F37-C41 PolarHBondContact O-N 2.78Å; F37-C41 PolarHBondContact O-SG 3.35Å; F37-S49 WeakPolarHBondContact CZ-O 3.35Å; F37-F52 HydrophobicContact CE2-CB 4.09Å; F37-F52 HydrophobicContact CZ-CB 4.08Å; F37-F52 WeakPolarHBondContact CZ-O 3.33Å; F37-L54 HydrophobicContact CB-CD1 4.16Å; F37-L54 HydrophobicContact CD2-CD1 4.1Å; F37-L54 HydrophobicContact CD2-CG 4.15Å; F37-M68 HydrophobicContact CB-CE 4.01Å; F37-M68 HydrophobicContact CB-SD 3.92Å; F37-M68 HydrophobicContact CD1-CE 3.79Å; F37-M68 HydrophobicContact CD1-SD 4.44Å; F37-M68 HydrophobicContact CD2-CE 3.59Å; F37-M68 HydrophobicContact CE1-CE 4.05Å; F37-M68 HydrophobicContact CE2-CE 3.87Å; F37-M68 HydrophobicContact CG-CE 3.53Å; F37-M68 HydrophobicContact CG-SD 4.1Å; F37-M68 HydrophobicContact CZ-CE 4.08Å; F37-F90 HydrophobicContact CD2-CD2 4.43Å; F37-F90 AromaticContact CD2-CE2 3.96Å; F37-F90 HydrophobicContact CD2-CE2 3.96Å; F37-F90 HydrophobicContact CE2-CD2 4.22Å; F37-F90 AromaticContact CE2-CE2 3.53Å; F37-F90 HydrophobicContact CE2-CE2 3.53Å; F37-F90 HydrophobicContact CE2-CZ 4.38Å; F37-F90 HydrophobicContact CZ-CE2 4.36Å
38D97.5Very high96.1Very high30 Ų3047.2 Ų47.216%0.1623%0.233CC..Hα-helixtrans-64.3-29.5174.9-70.8-11.5000112.1Q34 R42Q34-D38 PolarHBondContact NE2-OD1 3.35Å; Q34-D38 WeakPolarHBondContact O-CB 3.49Å; Q34-D38 PolarHBondContact O-N 3.06Å; D38-R42 VanDerWaalsContact O-CB 3.28Å; D38-R42 WeakPolarHBondContact O-CB 3.25Å; D38-R42 VanDerWaalsContact O-CG 3.29Å; D38-R42 WeakPolarHBondContact O-CG 3.3Å; D38-R42 PolarHBondContact O-N 2.91Å; D38-R42 VanDerWaalsContact O-N 3.13Å; D38-R42 PolarHBondContact O-NE 2.85Å
39L96.8Very high96.3Very high48 Ų4842.8 Ų42.825%0.25122%0.217SC..Hα-helixtrans-71.7-41.9174.5-176.860.5000111.6F25 L27 D35 L36 F37 T43F25-L39 HydrophobicContact CB-CD2 3.97Å; F25-L39 HydrophobicContact CD1-CD1 4.44Å; F25-L39 HydrophobicContact CD1-CD2 3.46Å; F25-L39 VanDerWaalsContact CD1-CD2 3.46Å; F25-L39 HydrophobicContact CD1-CG 3.76Å; F25-L39 HydrophobicContact CD2-CD2 4.43Å; F25-L39 HydrophobicContact CE1-CD1 4.3Å; F25-L39 HydrophobicContact CE1-CD2 3.99Å; F25-L39 HydrophobicContact CE1-CG 3.72Å; F25-L39 HydrophobicContact CG-CD2 3.7Å; F25-L39 HydrophobicContact CG-CG 4.27Å; F25-L39 HydrophobicContact CZ-CG 4.21Å; L27-L39 HydrophobicContact CD2-CD2 3.95Å; D35-L39 WeakPolarHBondContact O-CB 3.43Å; D35-L39 PolarHBondContact O-N 2.66Å; L36-L39 WeakPolarHBondContact O-CB 3.38Å; L36-L39 PolarHBondContact O-N 3.08Å; F37-L39 PolarHBondContact O-N 3.31Å; L39-T43 WeakPolarHBondContact O-CB 3.33Å; L39-T43 PolarHBondContact O-N 2.62Å; L39-T43 VanDerWaalsContact O-N 3.09Å; L39-T43 PolarHBondContact O-OG1 3.4Å
40V97.5Very high96.6Very high0 Ų043.9 Ų43.90%022%0.216CC..Hα-helixtrans-61.2-56.9173.4174.60000110.1V16 L23 F25 L36 F37 R42 T43 I44 L54 F90V16-V40 HydrophobicContact CB-CG2 4.08Å; V16-V40 HydrophobicContact CG1-CG1 4.33Å; V16-V40 HydrophobicContact CG1-CG2 3.91Å; V16-V40 HydrophobicContact CG2-CG2 3.77Å; L23-V40 HydrophobicContact CD1-CG1 4.25Å; F25-V40 HydrophobicContact CE2-CG2 3.78Å; F25-V40 HydrophobicContact CZ-CG2 4.39Å; L36-V40 HydrophobicContact CD1-CG2 4.33Å; L36-V40 WeakPolarHBondContact O-CG2 3.49Å; L36-V40 PolarHBondContact O-N 3.29Å; F37-V40 PolarHBondContact O-N 2.96Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.49Å; V40-T43 WeakPolarHBondContact O-CA 3.21Å; V40-T43 WeakPolarHBondContact O-CB 3.33Å; V40-T43 PolarHBondContact O-N 3.22Å; V40-I44 HydrophobicContact CG1-CD1 4.46Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 3.5Å; V40-I44 VanDerWaalsContact O-N 3.08Å; V40-L54 HydrophobicContact CG2-CD2 4.46Å; V40-F90 HydrophobicContact CB-CD2 4.38Å; V40-F90 HydrophobicContact CB-CE2 4.47Å; V40-F90 HydrophobicContact CG1-CB 4.46Å; V40-F90 HydrophobicContact CG1-CD2 3.52Å; V40-F90 HydrophobicContact CG1-CE2 3.74Å; V40-F90 HydrophobicContact CG1-CG 3.95Å; V40-F90 HydrophobicContact CG1-CZ 4.37Å
41C97.5Very high96.9Very high3 Ų335 Ų352%0.0218%0.182CC..Hα-helixtrans-55.3-43.3-178.3-68.60000112.4F37 T43 I44 G45 L46F37-C41 WeakPolarHBondContact O-CB 3.47Å; F37-C41 PolarHBondContact O-N 2.78Å; F37-C41 PolarHBondContact O-SG 3.35Å; C41-T43 PolarHBondContact O-N 3.17Å; C41-I44 PolarHBondContact O-N 3.42Å; C41-G45 PolarHBondContact O-N 2.92Å; C41-L46 WeakPolarHBondContact CB-O 3.38Å; C41-L46 PolarHBondContact O-N 3.49Å
42R96.8Very high97.1Very high131 Ų13135.1 Ų35.149%0.49418%0.181SC..Hα-helixtrans-62.6-38173.1-82.5177.5-67.2173-1.4113.5D38 V40 H528D38-R42 VanDerWaalsContact O-CB 3.28Å; D38-R42 WeakPolarHBondContact O-CB 3.25Å; D38-R42 VanDerWaalsContact O-CG 3.29Å; D38-R42 WeakPolarHBondContact O-CG 3.3Å; D38-R42 PolarHBondContact O-N 2.91Å; D38-R42 VanDerWaalsContact O-N 3.13Å; D38-R42 PolarHBondContact O-NE 2.85Å; V40-R42 VanDerWaalsContact C-N 3.32Å; V40-R42 PolarHBondContact O-N 3.49Å; R42-H528 VanDerWaalsContact CG-CD2 3.49Å; R42-H528 WeakPolarHBondContact CG-CD2 3.42Å; R42-H528 WeakPolarHBondContact CG-NE2 3.44Å
43T96.8Very high97.1Very high74 Ų7434.1 Ų34.145%0.45418%0.175SC..Hα-helixtrans-70-35-177.6-58.20000111.8L23 F25 L39 V40 C41L23-T43 HydrophobicContact CD1-CG2 4.26Å; L23-T43 HydrophobicContact CD2-CG2 4.04Å; F25-T43 HydrophobicContact CE1-CG2 4.47Å; F25-T43 HydrophobicContact CZ-CG2 4.33Å; L39-T43 WeakPolarHBondContact O-CB 3.33Å; L39-T43 PolarHBondContact O-N 2.62Å; L39-T43 VanDerWaalsContact O-N 3.09Å; L39-T43 PolarHBondContact O-OG1 3.4Å; V40-T43 WeakPolarHBondContact O-CA 3.21Å; V40-T43 WeakPolarHBondContact O-CB 3.33Å; V40-T43 PolarHBondContact O-N 3.22Å; C41-T43 PolarHBondContact O-N 3.17Å
44I95.7Very high97.1Very high35 Ų3534.1 Ų34.118%0.17918%0.175CC..Hα-helixtrans-93.8-2.5177.967.4177.6000114L23 V40 C41 L46 F90 L111L23-I44 HydrophobicContact CD1-CG2 3.85Å; V40-I44 HydrophobicContact CG1-CD1 4.46Å; V40-I44 WeakPolarHBondContact O-CG1 3.44Å; V40-I44 PolarHBondContact O-N 3.5Å; V40-I44 VanDerWaalsContact O-N 3.08Å; C41-I44 PolarHBondContact O-N 3.42Å; I44-L46 VanDerWaalsContact C-N 3.34Å; I44-L46 HydrophobicContact CD1-CB 3.76Å; I44-L46 HydrophobicContact CD1-CD1 4.14Å; I44-L46 HydrophobicContact CG1-CB 3.67Å; I44-L46 PolarHBondContact O-N 2.98Å; I44-F90 HydrophobicContact CD1-CD1 4.36Å; I44-F90 HydrophobicContact CD1-CE1 3.73Å; I44-F90 HydrophobicContact CD1-CZ 4.01Å; I44-L111 HydrophobicContact CD1-CD1 4.01Å
45G95.8Very high97.1Very high41 Ų4133.1 Ų33.142%0.42317%0.17SC..THydrogen-bonded Turntrans73.418.1-179.400000115.5C41 Q105C41-G45 PolarHBondContact O-N 2.92Å; G45-Q105 PolarHBondContact O-NE2 2.88Å
46L96.6Very high97.1Very high1 Ų130.3 Ų30.31%0.00515%0.153CC..  trans-91.1123.8-174.2-172.9146.4000111.7C41 I44 F52 I107 L111C41-L46 WeakPolarHBondContact CB-O 3.38Å; C41-L46 PolarHBondContact O-N 3.49Å; I44-L46 VanDerWaalsContact C-N 3.34Å; I44-L46 HydrophobicContact CD1-CB 3.76Å; I44-L46 HydrophobicContact CD1-CD1 4.14Å; I44-L46 HydrophobicContact CG1-CB 3.67Å; I44-L46 PolarHBondContact O-N 2.98Å; L46-F52 HydrophobicContact CD1-CD2 4.11Å; L46-F52 HydrophobicContact CD1-CE2 3.56Å; L46-F52 HydrophobicContact CD1-CZ 3.8Å; L46-F52 HydrophobicContact CD2-CD2 3.82Å; L46-F52 HydrophobicContact CD2-CE2 3.93Å; L46-F52 HydrophobicContact CG-CE2 4.32Å; L46-I107 HydrophobicContact CB-CG2 4.21Å; L46-I107 HydrophobicContact CD1-CG1 4.49Å; L46-I107 HydrophobicContact CD1-CG2 4.48Å; L46-L111 HydrophobicContact CD1-CD1 3.83Å
47R96.7Very high96.9Very high72 Ų7233.3 Ų33.327%0.27217%0.172SC..  trans-105.3-26179.2-59.6172.963.6-176.31.1112.5S49 E311 M315R47-S49 PolarHBondContact O-N 2.93Å; R47-E311 IonicContact CZ-OE1 3.21Å; R47-E311 IonicContact NE-OE1 2.71Å; R47-E311 VanDerWaalsContact NH2-CG 3.28Å; R47-E311 IonicContact NH2-OE1 3.36Å; R47-E311 PolarHBondContact NH2-OE1 2.94Å; R47-M315 HydrophobicContact CB-CE 3.72Å; R47-M315 HydrophobicContact CB-SD 4.02Å; R47-M315 VanDerWaalsContact CZ-CG 3.47Å
48E97.4Very high96.6Very high0 Ų033.6 Ų33.60%017%0.174CC..  trans-75.243.7176.6-59.2175.486.200112.6W50 Y51 I104 Q105 T108 M315E48-W50 HydrophobicContact CB-CH2 4.19Å; E48-W50 HydrophobicContact CB-CZ2 3.86Å; E48-W50 HydrophobicContact CG-CH2 3.97Å; E48-W50 HydrophobicContact CG-CZ2 3.78Å; E48-W50 PolarHBondContact O-N 2.61Å; E48-W50 VanDerWaalsContact O-N 3.07Å; E48-Y51 HydrophobicContact CB-CD2 4.14Å; E48-Y51 HydrophobicContact CB-CE2 4.12Å; E48-Y51 WeakPolarHBondContact O-CD2 3.47Å; E48-Y51 PolarHBondContact O-N 3.47Å; E48-I104 PolarHBondContact OE1-N 2.91Å; E48-I104 PolarHBondContact OE2-N 3.5Å; E48-Q105 WeakPolarHBondContact OE2-CB 3.12Å; E48-Q105 WeakPolarHBondContact OE2-CG 3.35Å; E48-Q105 PolarHBondContact OE2-N 3.47Å; E48-T108 HydrophobicContact CB-CG2 3.94Å; E48-T108 HydrophobicContact CG-CG2 4.47Å; E48-T108 WeakPolarHBondContact OE2-CB 3.42Å; E48-T108 WeakPolarHBondContact OE2-CG2 3.27Å; E48-T108 PolarHBondContact OE2-OG1 3.34Å; E48-M315 HydrophobicContact CG-CE 3.51Å
49S96.6Very high96.3Very high37 Ų3736.4 Ų36.426%0.25919%0.192SC..G310 helixtrans-64.5-17.5-169.162.60000113.7F37 R47 Y51 F52F37-S49 WeakPolarHBondContact CZ-O 3.35Å; R47-S49 PolarHBondContact O-N 2.93Å; S49-Y51 PolarHBondContact O-N 3.37Å; S49-Y51 VanDerWaalsContact O-N 3.17Å; S49-F52 PolarHBondContact O-N 3.04Å
50W96.4Very high96Very high63 Ų6342.6 Ų42.624%0.23921%0.212CC..G310 helixtrans-65.5-14.4-178.554.476.1000115.1E48 L300 I312 M315E48-W50 HydrophobicContact CB-CH2 4.19Å; E48-W50 HydrophobicContact CB-CZ2 3.86Å; E48-W50 HydrophobicContact CG-CH2 3.97Å; E48-W50 HydrophobicContact CG-CZ2 3.78Å; E48-W50 PolarHBondContact O-N 2.61Å; E48-W50 VanDerWaalsContact O-N 3.07Å; W50-L300 HydrophobicContact CB-CD2 4.16Å; W50-L300 HydrophobicContact CG-CD2 4.2Å; W50-I312 HydrophobicContact CH2-CD1 4.33Å; W50-I312 HydrophobicContact CH2-CG1 4.03Å; W50-M315 HydrophobicContact CH2-CE 4.33Å
51Y98.1Very high95.6Very high7 Ų747.1 Ų47.13%0.02724%0.244CC..G310 helixtrans-83-24.6171.3-59.2-60.6000113.5E48 S49 A92 K93 F94 E102 L103 T108 F112E48-Y51 HydrophobicContact CB-CD2 4.14Å; E48-Y51 HydrophobicContact CB-CE2 4.12Å; E48-Y51 WeakPolarHBondContact O-CD2 3.47Å; E48-Y51 PolarHBondContact O-N 3.47Å; S49-Y51 PolarHBondContact O-N 3.37Å; S49-Y51 VanDerWaalsContact O-N 3.17Å; Y51-A92 CarbonylContact O-C 3.53Å; Y51-K93 PolarHBondContact O-N 2.62Å; Y51-F94 PolarHBondContact O-N 3.5Å; Y51-E102 PolarHBondContact OH-O 2.92Å; Y51-L103 HydrophobicContact CD2-CD2 4.34Å; Y51-L103 HydrophobicContact CE2-CD2 3.78Å; Y51-T108 HydrophobicContact CD2-CG2 4.07Å; Y51-T108 HydrophobicContact CE2-CG2 4.32Å; Y51-F112 HydrophobicContact CD1-CE2 4.39Å; Y51-F112 HydrophobicContact CD1-CZ 4.09Å; Y51-F112 AromaticContact CD2-CE2 3.8Å; Y51-F112 HydrophobicContact CD2-CE2 3.8Å; Y51-F112 HydrophobicContact CD2-CZ 4.3Å; Y51-F112 HydrophobicContact CE2-CE2 4.44Å; Y51-F112 AromaticContact CG-CE2 3.77Å; Y51-F112 HydrophobicContact CG-CE2 3.77Å; Y51-F112 AromaticContact CG-CZ 3.81Å; Y51-F112 HydrophobicContact CG-CZ 3.81Å
52F98.3Very high95.3Very high10 Ų1049.3 Ų49.34%0.04426%0.255CS..EExtended strand (participates in β ladder)trans-102.4163.8-161.8-61-89.4000113.8F37 L46 S49 F90 Y91 A92 T108 L111 F112F37-F52 HydrophobicContact CE2-CB 4.09Å; F37-F52 HydrophobicContact CZ-CB 4.08Å; F37-F52 WeakPolarHBondContact CZ-O 3.33Å; L46-F52 HydrophobicContact CD1-CD2 4.11Å; L46-F52 HydrophobicContact CD1-CE2 3.56Å; L46-F52 HydrophobicContact CD1-CZ 3.8Å; L46-F52 HydrophobicContact CD2-CD2 3.82Å; L46-F52 HydrophobicContact CD2-CE2 3.93Å; L46-F52 HydrophobicContact CG-CE2 4.32Å; S49-F52 PolarHBondContact O-N 3.04Å; F52-F90 HydrophobicContact CB-CE1 3.94Å; F52-F90 HydrophobicContact CB-CE2 3.9Å; F52-F90 HydrophobicContact CB-CZ 3.49Å; F52-F90 VanDerWaalsContact CB-CZ 3.49Å; F52-F90 HydrophobicContact CD1-CD1 4.06Å; F52-F90 AromaticContact CD1-CE1 3.41Å; F52-F90 HydrophobicContact CD1-CE1 3.41Å; F52-F90 VanDerWaalsContact CD1-CE1 3.41Å; F52-F90 AromaticContact CD1-CZ 3.89Å; F52-F90 HydrophobicContact CD1-CZ 3.89Å; F52-F90 HydrophobicContact CD2-CE1 4.44Å; F52-F90 HydrophobicContact CD2-CZ 4.27Å; F52-F90 HydrophobicContact CE1-CE1 4.05Å; F52-F90 AromaticContact CG-CE1 3.66Å; F52-F90 HydrophobicContact CG-CE1 3.66Å; F52-F90 HydrophobicContact CG-CE2 4.48Å; F52-F90 AromaticContact CG-CZ 3.61Å; F52-F90 HydrophobicContact CG-CZ 3.61Å; F52-Y91 CarbonylContact C-O 3.46Å; F52-Y91 WeakPolarHBondContact CA-O 3.49Å; F52-A92 HydrophobicContact CD1-CB 4.27Å; F52-A92 HydrophobicContact CE1-CB 4.12Å; F52-T108 HydrophobicContact CE2-CG2 3.98Å; F52-T108 HydrophobicContact CZ-CG2 4.09Å; F52-L111 HydrophobicContact CE1-CB 3.98Å; F52-L111 HydrophobicContact CE1-CD1 4.21Å; F52-L111 HydrophobicContact CZ-CB 4.29Å; F52-L111 HydrophobicContact CZ-CD1 4.47Å; F52-F112 HydrophobicContact CZ-CD2 4.3Å; F52-F112 HydrophobicContact CZ-CE2 4.18Å
53G97.6Very high95.2Very high4 Ų446.5 Ų46.54%0.04125%0.253CS..EExtended strand (participates in β ladder)trans-153.8168.1169.500000111.5Y91G53-Y91 PolarHBondContact N-O 2.87Å; G53-Y91 PolarHBondContact O-N 2.98Å; G53-Y91 VanDerWaalsContact O-N 3.12Å
54L98Very high95Very high0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-99.5116.4171.2-71.5162000108.8V16 L36 F37 V40 L66 F88 S89 F90V16-L54 HydrophobicContact CB-CD2 4.45Å; V16-L54 HydrophobicContact CG1-CD2 3.46Å; V16-L54 VanDerWaalsContact CG1-CD2 3.46Å; V16-L54 HydrophobicContact CG2-CD2 4.13Å; L36-L54 HydrophobicContact CB-CD1 4.42Å; L36-L54 HydrophobicContact CD2-CD1 3.88Å; L36-L54 HydrophobicContact CG-CD1 3.73Å; F37-L54 HydrophobicContact CB-CD1 4.16Å; F37-L54 HydrophobicContact CD2-CD1 4.1Å; F37-L54 HydrophobicContact CD2-CG 4.15Å; V40-L54 HydrophobicContact CG2-CD2 4.46Å; L54-L66 HydrophobicContact CB-CB 3.91Å; L54-L66 HydrophobicContact CB-CD2 3.93Å; L54-L66 HydrophobicContact CD1-CD2 3.71Å; L54-L66 HydrophobicContact CG-CD2 4.48Å; L54-L66 WeakPolarHBondContact O-CB 3.45Å; L54-L66 PolarHBondContact O-N 3.35Å; L54-F88 HydrophobicContact CB-CB 4.29Å; L54-F88 HydrophobicContact CB-CD1 4.19Å; L54-F88 HydrophobicContact CB-CG 4.45Å; L54-F88 HydrophobicContact CD2-CB 3.85Å; L54-S89 WeakPolarHBondContact CA-O 3.33Å; L54-F90 HydrophobicContact CD2-CB 4.06Å; L54-F90 HydrophobicContact CD2-CD2 3.98Å; L54-F90 HydrophobicContact CG-CD2 4.37Å
55Q97Very high95Very high47 Ų4743.1 Ų43.122%0.2223%0.23CC..EExtended strand (participates in β ladder)trans-93.9145.6176.2-169.3178.581.600109.8V63 S64 W65 F88 S89 Y91Q55-V63 HydrophobicContact CG-CG1 3.49Å; Q55-V63 VanDerWaalsContact CG-CG1 3.49Å; Q55-S64 CarbonylContact C-O 3.56Å; Q55-S64 WeakPolarHBondContact CA-O 3.35Å; Q55-W65 HydrophobicContact CB-CE3 4.05Å; Q55-W65 HydrophobicContact CB-CH2 4.42Å; Q55-W65 HydrophobicContact CB-CZ3 4Å; Q55-F88 CarbonylContact O-C 3.52Å; Q55-F88 WeakPolarHBondContact O-CA 3.36Å; Q55-S89 PolarHBondContact N-O 2.88Å; Q55-S89 PolarHBondContact O-N 3.26Å; Q55-Y91 HydrophobicContact CB-CD2 4.39Å
56Y95.9Very high95.1Very high24 Ų2441.7 Ų41.79%0.09421%0.213CC..EExtended strand (participates in β ladder)trans-148.9166.7176.265.4-83000111.6D58 V63 S64 L66 Q75 V77 F88Y56-D58 HydrophobicContact CE2-CB 3.96Å; Y56-V63 WeakPolarHBondContact O-CA 3.45Å; Y56-S64 WeakPolarHBondContact CD1-O 3.42Å; Y56-S64 VanDerWaalsContact CZ-CB 3.49Å; Y56-S64 PolarHBondContact N-O 3.02Å; Y56-S64 PolarHBondContact O-N 2.94Å; Y56-L66 HydrophobicContact CD1-CB 4.4Å; Y56-L66 HydrophobicContact CE1-CB 4.33Å; Y56-L66 HydrophobicContact CE1-CD1 4.35Å; Y56-Q75 PolarHBondContact OH-O 3.45Å; Y56-V77 HydrophobicContact CD1-CG2 4.41Å; Y56-V77 HydrophobicContact CD2-CB 3.91Å; Y56-V77 HydrophobicContact CD2-CG1 3.85Å; Y56-V77 HydrophobicContact CD2-CG2 3.68Å; Y56-V77 HydrophobicContact CE1-CG2 4.45Å; Y56-V77 HydrophobicContact CE2-CB 4.22Å; Y56-V77 HydrophobicContact CE2-CG2 3.72Å; Y56-V77 HydrophobicContact CG-CB 4.49Å; Y56-V77 HydrophobicContact CG-CG1 4.11Å; Y56-V77 HydrophobicContact CG-CG2 4.04Å; Y56-F88 HydrophobicContact CD1-CD1 4.18Å; Y56-F88 AromaticContact CD1-CE1 3.95Å; Y56-F88 HydrophobicContact CD1-CE1 3.95Å; Y56-F88 HydrophobicContact CG-CD1 4.27Å; Y56-F88 HydrophobicContact CG-CE1 4Å
57V94Very high95Very high63 Ų6344.4 Ų44.438%0.38223%0.225SC..EExtended strand (participates in β ladder)trans-95.7125.3169.1-178.30000108.8E78V57-E78 WeakPolarHBondContact O-CB 3.43Å; V57-E78 PolarHBondContact O-N 3.19Å
58D92Very high94.9Very high15 Ų1542.8 Ų42.88%0.0822%0.221CC..BIsolated β-bridgetrans-80.1165.5177.3102-50.8000112Y56 R60 S61 N62 R76Y56-D58 HydrophobicContact CE2-CB 3.96Å; D58-R60 PolarHBondContact O-N 3.29Å; D58-R60 WeakPolarHBondContact OD1-CA 3.36Å; D58-R60 VanDerWaalsContact OD1-CB 3.32Å; D58-R60 WeakPolarHBondContact OD1-CB 3.39Å; D58-R60 PolarHBondContact OD1-N 2.79Å; D58-S61 WeakPolarHBondContact O-CA 3.36Å; D58-S61 PolarHBondContact O-N 3.27Å; D58-S61 PolarHBondContact OD1-N 3Å; D58-N62 PolarHBondContact N-O 2.93Å; D58-N62 WeakPolarHBondContact OD1-CB 3.47Å; D58-N62 PolarHBondContact OD1-N 3.44Å; D58-N62 PolarHBondContact OD1-ND2 2.92Å; D58-R76 CarbonylContact C-O 3.52Å; D58-R76 VanDerWaalsContact CA-O 3.3Å; D58-R76 WeakPolarHBondContact CA-O 3.42Å
59T90.4Very high94.7Very high90 Ų9048.8 Ų48.855%0.55225%0.249SC*.THydrogen-bonded Turntrans-60.27.8175.653.70000116.2R76T59-R76 WeakPolarHBondContact CG2-O 3.44Å; T59-R76 PolarHBondContact N-O 2.88Å
60R90.3Very high94.6Very high178 Ų17852.9 Ų52.967%0.67226%0.262SS*.THydrogen-bonded Turntrans-121.616.2171.6-62167.3162.1-157-9111.5D58 N62D58-R60 PolarHBondContact O-N 3.29Å; D58-R60 WeakPolarHBondContact OD1-CA 3.36Å; D58-R60 VanDerWaalsContact OD1-CB 3.32Å; D58-R60 WeakPolarHBondContact OD1-CB 3.39Å; D58-R60 PolarHBondContact OD1-N 2.79Å; R60-N62 VanDerWaalsContact C-N 3.27Å; R60-N62 WeakPolarHBondContact CB-ND2 3.42Å; R60-N62 PolarHBondContact O-N 3.24Å; R60-N62 PolarHBondContact O-ND2 3.26Å; R60-N62 VanDerWaalsContact O-ND2 3.17Å
61S90.7Very high94.6Very high94 Ų9454.7 Ų54.766%0.65727%0.269SS*.SBendtrans62.122.6-176.8-49.70000115.3D58D58-S61 WeakPolarHBondContact O-CA 3.36Å; D58-S61 PolarHBondContact O-N 3.27Å; D58-S61 PolarHBondContact OD1-N 3Å
62N91.3Very high94.4Very high50 Ų5054.4 Ų54.427%0.26727%0.267SS..  trans-91.2128.1176.6-55.9-84.2000111.2D58 R60 S64D58-N62 PolarHBondContact N-O 2.93Å; D58-N62 WeakPolarHBondContact OD1-CB 3.47Å; D58-N62 PolarHBondContact OD1-N 3.44Å; D58-N62 PolarHBondContact OD1-ND2 2.92Å; R60-N62 VanDerWaalsContact C-N 3.27Å; R60-N62 WeakPolarHBondContact CB-ND2 3.42Å; R60-N62 PolarHBondContact O-N 3.24Å; R60-N62 PolarHBondContact O-ND2 3.26Å; R60-N62 VanDerWaalsContact O-ND2 3.17Å; N62-S64 PolarHBondContact O-N 2.97Å; N62-S64 PolarHBondContact O-OG 3.44Å
63V92.9Very high94Very high72 Ų7258.8 Ų58.844%0.43628%0.284SS..EExtended strand (participates in β ladder)trans-63.5123.6169-176.30000109.1Q55 Y56 H285Q55-V63 HydrophobicContact CG-CG1 3.49Å; Q55-V63 VanDerWaalsContact CG-CG1 3.49Å; Y56-V63 WeakPolarHBondContact O-CA 3.45Å; V63-H285 PolarHBondContact O-CE1 3.2Å; V63-H285 PolarHBondContact O-NE2 3.34Å
64S93.9Very high93.8Very high8 Ų862.6 Ų62.66%0.05630%0.303CS..EExtended strand (participates in β ladder)trans-138.5148.2-166-640000111.1Q55 Y56 N62 H285Q55-S64 CarbonylContact C-O 3.56Å; Q55-S64 WeakPolarHBondContact CA-O 3.35Å; Y56-S64 WeakPolarHBondContact CD1-O 3.42Å; Y56-S64 VanDerWaalsContact CZ-CB 3.49Å; Y56-S64 PolarHBondContact N-O 3.02Å; Y56-S64 PolarHBondContact O-N 2.94Å; N62-S64 PolarHBondContact O-N 2.97Å; N62-S64 PolarHBondContact O-OG 3.44Å; S64-H285 PolarHBondContact OG-CE1 3.46Å; S64-H285 VanDerWaalsContact OG-CE1 3.28Å
65W95.9Very high93.5Very high29 Ų2963.4 Ų63.411%0.1131%0.307CS..EExtended strand (participates in β ladder)trans-98.1135.6173.4-66.197.8000111.1Q55 K67 K93Q55-W65 HydrophobicContact CB-CE3 4.05Å; Q55-W65 HydrophobicContact CB-CH2 4.42Å; Q55-W65 HydrophobicContact CB-CZ3 4Å; W65-K67 PolarHBondContact O-N 3.03Å; W65-K93 HydrophobicContact CD2-CD 3.69Å; W65-K93 HydrophobicContact CD2-CG 4.09Å; W65-K93 HydrophobicContact CE3-CB 4.31Å; W65-K93 HydrophobicContact CE3-CD 3.99Å; W65-K93 HydrophobicContact CE3-CG 4.35Å; W65-K93 HydrophobicContact CG-CD 3.96Å; W65-K93 HydrophobicContact CH2-CB 3.68Å; W65-K93 HydrophobicContact CH2-CG 4.08Å; W65-K93 HydrophobicContact CZ2-CB 3.92Å; W65-K93 HydrophobicContact CZ2-CD 4.35Å; W65-K93 HydrophobicContact CZ2-CG 3.81Å; W65-K93 HydrophobicContact CZ3-CB 3.9Å; W65-K93 HydrophobicContact CZ3-CD 4.43Å; W65-K93 HydrophobicContact CZ3-CG 4.35Å
66L96.4Very high93.1Very high11 Ų1168.3 Ų68.36%0.05832%0.323CS..PPolyproline II helixtrans-63.6127.5177.4-168.468.9000110.4L36 L54 Y56 F88L36-L66 HydrophobicContact CD2-CD2 4.12Å; L54-L66 HydrophobicContact CB-CB 3.91Å; L54-L66 HydrophobicContact CB-CD2 3.93Å; L54-L66 HydrophobicContact CD1-CD2 3.71Å; L54-L66 HydrophobicContact CG-CD2 4.48Å; L54-L66 WeakPolarHBondContact O-CB 3.45Å; L54-L66 PolarHBondContact O-N 3.35Å; Y56-L66 HydrophobicContact CD1-CB 4.4Å; Y56-L66 HydrophobicContact CE1-CB 4.33Å; Y56-L66 HydrophobicContact CE1-CD1 4.35Å; L66-F88 HydrophobicContact CD1-CE1 3.92Å; L66-F88 HydrophobicContact CD1-CZ 4.43Å; L66-F88 HydrophobicContact CD2-CE1 4.36Å
67K95.2Very high92.8Very high59 Ų5967.7 Ų67.726%0.25732%0.322SS..PPolyproline II helixtrans-82.9124.8173.3-57.5-70.5171.8157.40108.4W65 E69 K70 Q75 D292W65-K67 PolarHBondContact O-N 3.03Å; K67-E69 VanDerWaalsContact C-N 3.31Å; K67-E69 PolarHBondContact O-N 2.75Å; K67-K70 HydrophobicContact CB-CB 4.25Å; K67-K70 HydrophobicContact CB-CD 4.07Å; K67-K70 HydrophobicContact CB-CG 4.22Å; K67-K70 HydrophobicContact CG-CD 4.37Å; K67-K70 PolarHBondContact O-N 2.96Å; K67-Q75 VanDerWaalsContact CB-OE1 3.31Å; K67-Q75 PolarHBondContact O-NE2 3.39Å; K67-D292 IonicContact NZ-OD1 3.82Å; K67-D292 PolarHBondContact NZ-OD1 3.4Å; K67-D292 IonicContact NZ-OD2 3.62Å; K67-D292 PolarHBondContact NZ-OD2 3.15Å
68M94.6Very high92.4Very high37 Ų3769.3 Ų69.318%0.18233%0.326CS..THydrogen-bonded Turntrans-69.9-32.6-171.5-59.2-48.8-175.600112.1S32 G33 Q34 F37 K70S32-M68 WeakPolarHBondContact CB-O 3.35Å; G33-M68 PolarHBondContact N-O 2.96Å; G33-M68 VanDerWaalsContact N-O 3.13Å; Q34-M68 HydrophobicContact CB-CB 4.16Å; Q34-M68 PolarHBondContact N-O 3.06Å; F37-M68 HydrophobicContact CB-CE 4.01Å; F37-M68 HydrophobicContact CB-SD 3.92Å; F37-M68 HydrophobicContact CD1-CE 3.79Å; F37-M68 HydrophobicContact CD1-SD 4.44Å; F37-M68 HydrophobicContact CD2-CE 3.59Å; F37-M68 HydrophobicContact CE1-CE 4.05Å; F37-M68 HydrophobicContact CE2-CE 3.87Å; F37-M68 HydrophobicContact CG-CE 3.53Å; F37-M68 HydrophobicContact CG-SD 4.1Å; F37-M68 HydrophobicContact CZ-CE 4.08Å; M68-K70 VanDerWaalsContact C-N 3.31Å; M68-K70 PolarHBondContact O-N 3.46Å
69E93.3Very high92Very high126 Ų12671.9 Ų71.959%0.58934%0.339SS*.THydrogen-bonded Turntrans-78.1-15.1-174.8-39.277.3-17400112.8K67K67-E69 VanDerWaalsContact C-N 3.31Å; K67-E69 PolarHBondContact O-N 2.75Å
70K95.1Very high91.5Very high123 Ų12372.5 Ų72.554%0.53534%0.335SS..SBendtrans-106.6148.5-174.5-63.7-179.5-174.7177.60110.8S32 G33 K67 M68 Q75S32-K70 CarbonylContact C-O 3.59Å; S32-K70 WeakPolarHBondContact CA-O 3.42Å; G33-K70 PolarHBondContact N-O 2.95Å; K67-K70 HydrophobicContact CB-CB 4.25Å; K67-K70 HydrophobicContact CB-CD 4.07Å; K67-K70 HydrophobicContact CB-CG 4.22Å; K67-K70 HydrophobicContact CG-CD 4.37Å; K67-K70 PolarHBondContact O-N 2.96Å; M68-K70 VanDerWaalsContact C-N 3.31Å; M68-K70 PolarHBondContact O-N 3.46Å; K70-Q75 HydrophobicContact CB-CG 3.87Å; K70-Q75 PolarHBondContact O-NE2 2.86Å
71R95.3Very high90.4Very high102 Ų10268.8 Ų68.839%0.38534%0.343SS..BIsolated β-bridgetrans-64.1139176.3-58.5-166.2-176.599.86.7111.7R30 A31 R73 D74 Q75R30-R71 WeakPolarHBondContact O-CD 3.29Å; R30-R71 WeakPolarHBondContact O-CG 3.42Å; R30-R71 PolarHBondContact O-NE 2.9Å; A31-R71 WeakPolarHBondContact O-CA 3.48Å; A31-R71 WeakPolarHBondContact O-CB 3.5Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 HydrophobicContact CB-CG 4.24Å; R71-R73 PolarHBondContact O-N 2.91Å; R71-D74 HydrophobicContact CB-CB 4.06Å; R71-D74 WeakPolarHBondContact CB-OD2 3.41Å; R71-D74 WeakPolarHBondContact CD-OD2 3.3Å; R71-D74 IonicContact NH1-OD2 3.61Å; R71-D74 PolarHBondContact NH1-OD2 3.42Å; R71-D74 PolarHBondContact O-N 3.45Å; R71-Q75 WeakPolarHBondContact O-CG 3.47Å
72V93.7Very high89.6Confident0 Ų068.9 Ų68.90%034%0.344CS..G310 helixtrans-51.2-52.2-178.7-176.30000111.4L27 A31 S32 L36 D74 Q75 F88L27-V72 HydrophobicContact CD1-CG2 4.01Å; A31-V72 PolarHBondContact O-N 3.39Å; S32-V72 WeakPolarHBondContact O-CG2 3.28Å; L36-V72 HydrophobicContact CB-CG2 4.33Å; L36-V72 HydrophobicContact CD2-CG2 4.27Å; V72-D74 VanDerWaalsContact C-N 3.28Å; V72-D74 PolarHBondContact O-N 3.23Å; V72-Q75 PolarHBondContact O-N 2.93Å; V72-F88 HydrophobicContact CG1-CE1 4.49Å; V72-F88 HydrophobicContact CG1-CE2 3.96Å; V72-F88 HydrophobicContact CG1-CZ 3.48Å; V72-F88 VanDerWaalsContact CG1-CZ 3.48Å
73R90.9Very high88.8Confident102 Ų10269.7 Ų69.739%0.38535%0.348SS..G310 helixtrans-63.8-22177.452.8153.7-118.1-142.73.7115.8L12 P29 R71 Q75 Y86L12-R73 HydrophobicContact CD1-CB 4.03Å; L12-R73 HydrophobicContact CD1-CG 4.05Å; P29-R73 WeakPolarHBondContact O-CD 3.34Å; P29-R73 PolarHBondContact O-NH1 3.17Å; R71-R73 VanDerWaalsContact C-N 3.33Å; R71-R73 HydrophobicContact CB-CG 4.24Å; R71-R73 PolarHBondContact O-N 2.91Å; R73-Q75 VanDerWaalsContact C-N 3.29Å; R73-Y86 WeakPolarHBondContact CB-OH 3.46Å
74D92.7Very high88.4Confident84 Ų8471.8 Ų71.845%0.44936%0.357SS..G310 helixtrans-89.84.2-176.7-63.3-21.4000111.2R71 V72R71-D74 HydrophobicContact CB-CB 4.06Å; R71-D74 WeakPolarHBondContact CB-OD2 3.41Å; R71-D74 WeakPolarHBondContact CD-OD2 3.3Å; R71-D74 IonicContact NH1-OD2 3.61Å; R71-D74 PolarHBondContact NH1-OD2 3.42Å; R71-D74 PolarHBondContact O-N 3.45Å; V72-D74 VanDerWaalsContact C-N 3.28Å; V72-D74 PolarHBondContact O-N 3.23Å
75Q92.5Very high88.3Confident17 Ų1771.9 Ų71.98%0.07936%0.357CS..G310 helixtrans-104.411.2-174.4-68.7-173.166.100116Y56 K67 K70 R71 V72 R73 V77Y56-Q75 PolarHBondContact OH-O 3.45Å; K67-Q75 VanDerWaalsContact CB-OE1 3.31Å; K67-Q75 PolarHBondContact O-NE2 3.39Å; K70-Q75 HydrophobicContact CB-CG 3.87Å; K70-Q75 PolarHBondContact O-NE2 2.86Å; R71-Q75 WeakPolarHBondContact O-CG 3.47Å; V72-Q75 PolarHBondContact O-N 2.93Å; R73-Q75 VanDerWaalsContact C-N 3.29Å; Q75-V77 VanDerWaalsContact C-N 3.27Å; Q75-V77 HydrophobicContact CB-CG2 4.36Å; Q75-V77 PolarHBondContact O-N 3.4Å
76R88.5Confident88.1Confident150 Ų15072 Ų7257%0.56636%0.357SS*.  trans59.131.1178.9-51.4-178.7179.9167.3-0.3115.2D58 T59D58-R76 CarbonylContact C-O 3.52Å; D58-R76 VanDerWaalsContact CA-O 3.3Å; D58-R76 WeakPolarHBondContact CA-O 3.42Å; T59-R76 WeakPolarHBondContact CG2-O 3.44Å; T59-R76 PolarHBondContact N-O 2.88Å
77V88.8Confident88Confident11 Ų1174 Ų747%0.06737%0.371CS..BIsolated β-bridgetrans-60.1134.3169.9-174.80000109.4Y56 Q75 Y86 F88Y56-V77 HydrophobicContact CD1-CG2 4.41Å; Y56-V77 HydrophobicContact CD2-CB 3.91Å; Y56-V77 HydrophobicContact CD2-CG1 3.85Å; Y56-V77 HydrophobicContact CD2-CG2 3.68Å; Y56-V77 HydrophobicContact CE1-CG2 4.45Å; Y56-V77 HydrophobicContact CE2-CB 4.22Å; Y56-V77 HydrophobicContact CE2-CG2 3.72Å; Y56-V77 HydrophobicContact CG-CB 4.49Å; Y56-V77 HydrophobicContact CG-CG1 4.11Å; Y56-V77 HydrophobicContact CG-CG2 4.04Å; Q75-V77 VanDerWaalsContact C-N 3.27Å; Q75-V77 HydrophobicContact CB-CG2 4.36Å; Q75-V77 PolarHBondContact O-N 3.4Å; V77-Y86 HydrophobicContact CB-CD1 3.8Å; V77-Y86 HydrophobicContact CB-CE1 4.24Å; V77-Y86 HydrophobicContact CG1-CD1 3.82Å; V77-Y86 HydrophobicContact CG2-CD1 4.5Å; V77-F88 HydrophobicContact CB-CZ 4.5Å; V77-F88 HydrophobicContact CG1-CE1 4.01Å; V77-F88 HydrophobicContact CG1-CZ 3.87Å; V77-F88 HydrophobicContact CG2-CE1 3.94Å; V77-F88 HydrophobicContact CG2-CZ 3.95Å
78E85Confident88.1Confident98 Ų9871.3 Ų71.346%0.45836%0.359SS..PPolyproline II helixtrans-68.8137.4173.8-170.7166.4-168.700110.9V57V57-E78 WeakPolarHBondContact O-CB 3.43Å; V57-E78 PolarHBondContact O-N 3.19Å
79L84.3Confident88.3Confident69 Ų6971 Ų7136%0.36136%0.36SS..EExtended strand (participates in β ladder)trans-96.3128.6179.6-80.2170.2000109.9A81 Y86L79-A81 PolarHBondContact O-N 3.46Å; L79-Y86 HydrophobicContact CD2-CD1 3.74Å; L79-Y86 HydrophobicContact CD2-CD2 3.77Å; L79-Y86 HydrophobicContact CD2-CE1 3.74Å; L79-Y86 HydrophobicContact CD2-CE2 3.73Å; L79-Y86 HydrophobicContact CD2-CG 3.77Å; L79-Y86 HydrophobicContact CG-CD1 4.45Å; L79-Y86 HydrophobicContact CG-CE1 4.21Å
80H80.7Confident88.5Confident102 Ų10265.1 Ų65.147%0.47233%0.332SS..EExtended strand (participates in β ladder)trans-65.8120-179.2-168.3-89.9000111S82 N83 N84 V85 V87H80-S82 PolarHBondContact CE1-OG 3Å; H80-S82 VanDerWaalsContact CE1-OG 3.23Å; H80-S82 PolarHBondContact ND1-OG 3.39Å; H80-S82 PolarHBondContact O-N 3.07Å; H80-S82 VanDerWaalsContact O-N 3.07Å; H80-N83 PolarHBondContact O-N 3.48Å; H80-N83 PolarHBondContact O-OD1 3.14Å; H80-N84 PolarHBondContact O-N 3.25Å; H80-V85 PolarHBondContact N-O 2.81Å; H80-V87 HydrophobicContact CB-CG2 4.06Å
81A66.7Low88.6Confident101 Ų10161.7 Ų61.784%0.83532%0.317SS*.THydrogen-bonded Turntrans-63.1-23.5-16100000115L79L79-A81 PolarHBondContact O-N 3.46Å
82S73Confident88.7Confident96 Ų9657 Ų5767%0.67130%0.299SS*.THydrogen-bonded Turntrans-78.8-22.4-178.9630000114.6H80H80-S82 PolarHBondContact CE1-OG 3Å; H80-S82 VanDerWaalsContact CE1-OG 3.23Å; H80-S82 PolarHBondContact ND1-OG 3.39Å; H80-S82 PolarHBondContact O-N 3.07Å; H80-S82 VanDerWaalsContact O-N 3.07Å
83N75.5Confident88.9Confident67 Ų6758.1 Ų58.136%0.35831%0.305SS..THydrogen-bonded Turntrans-146.5-3.4-164.761.45000115.6H80 V85H80-N83 PolarHBondContact O-N 3.48Å; H80-N83 PolarHBondContact O-OD1 3.14Å; N83-V85 HydrophobicContact CB-CG2 4.08Å; N83-V85 VanDerWaalsContact CG-CG2 3.41Å; N83-V85 WeakPolarHBondContact ND2-CG2 3.29Å; N83-V85 PolarHBondContact O-N 2.84Å; N83-V85 WeakPolarHBondContact OD1-CB 3.29Å; N83-V85 PolarHBondContact OD1-N 2.97Å; N83-V85 VanDerWaalsContact OD1-N 3.13Å
84N84Confident89.3Confident115 Ų11554.3 Ų54.362%0.61529%0.291SS*.THydrogen-bonded Turntrans55.335.9-173.3-62.9-70.2000113.3H80H80-N84 PolarHBondContact O-N 3.25Å
85V91.4Very high89.5Confident11 Ų1151.2 Ų51.27%0.06727%0.273CS..EExtended strand (participates in β ladder)trans-90.9136.2172.2174.60000109.5R15 H80 N83 V87R15-V85 HydrophobicContact CB-CG1 3.85Å; H80-V85 PolarHBondContact N-O 2.81Å; N83-V85 HydrophobicContact CB-CG2 4.08Å; N83-V85 VanDerWaalsContact CG-CG2 3.41Å; N83-V85 WeakPolarHBondContact ND2-CG2 3.29Å; N83-V85 PolarHBondContact O-N 2.84Å; N83-V85 WeakPolarHBondContact OD1-CB 3.29Å; N83-V85 PolarHBondContact OD1-N 2.97Å; N83-V85 VanDerWaalsContact OD1-N 3.13Å; V85-V87 HydrophobicContact CG1-CG2 4.42Å
86Y92.7Very high89.7Confident30 Ų3050.6 Ų50.612%0.11827%0.271CS..EExtended strand (participates in β ladder)trans-77.8127.5165.8-62.9-91.8000108.7L12 S13 V14 R15 R73 V77 L79L12-Y86 HydrophobicContact CB-CD2 4.35Å; L12-Y86 HydrophobicContact CB-CE2 4.03Å; L12-Y86 HydrophobicContact CD1-CE2 4.42Å; L12-Y86 HydrophobicContact CD2-CE2 4.1Å; L12-Y86 HydrophobicContact CG-CE2 4.4Å; S13-Y86 PolarHBondContact O-N 3.43Å; V14-Y86 CarbonylContact C-O 3.53Å; V14-Y86 WeakPolarHBondContact CA-O 3.47Å; V14-Y86 HydrophobicContact CG2-CD2 4.4Å; R15-Y86 PolarHBondContact N-O 3.08Å; R73-Y86 WeakPolarHBondContact CB-OH 3.46Å; V77-Y86 HydrophobicContact CB-CD1 3.8Å; V77-Y86 HydrophobicContact CB-CE1 4.24Å; V77-Y86 HydrophobicContact CG1-CD1 3.82Å; V77-Y86 HydrophobicContact CG2-CD1 4.5Å; L79-Y86 HydrophobicContact CD2-CD1 3.74Å; L79-Y86 HydrophobicContact CD2-CD2 3.77Å; L79-Y86 HydrophobicContact CD2-CE1 3.74Å; L79-Y86 HydrophobicContact CD2-CE2 3.73Å; L79-Y86 HydrophobicContact CD2-CG 3.77Å; L79-Y86 HydrophobicContact CG-CD1 4.45Å; L79-Y86 HydrophobicContact CG-CE1 4.21Å
87V94.6Very high90Very high55 Ų5545.1 Ų45.133%0.33325%0.252SS..EExtended strand (participates in β ladder)trans-109.6133.4-179.4-177.30000109.8R15 H80 V85R15-V87 WeakPolarHBondContact O-CA 3.36Å; H80-V87 HydrophobicContact CB-CG2 4.06Å; V85-V87 HydrophobicContact CG1-CG2 4.42Å
88F97.3Very high90.2Very high1 Ų145.2 Ų45.20%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-132152.1174.8-57.4-86.6000110.9V14 R15 V16 S17 L36 L54 Q55 Y56 L66 V72 V77V14-F88 HydrophobicContact CG1-CD2 3.59Å; V14-F88 HydrophobicContact CG1-CE2 3.65Å; R15-F88 PolarHBondContact O-N 3.47Å; V16-F88 CarbonylContact C-O 3.55Å; V16-F88 VanDerWaalsContact CA-O 3.31Å; V16-F88 WeakPolarHBondContact CA-O 3.43Å; V16-F88 HydrophobicContact CG2-CB 4.32Å; V16-F88 HydrophobicContact CG2-CD2 4.47Å; S17-F88 PolarHBondContact N-O 2.87Å; L36-F88 HydrophobicContact CD2-CD2 3.82Å; L36-F88 HydrophobicContact CD2-CE2 3.7Å; L36-F88 HydrophobicContact CD2-CG 4.45Å; L36-F88 HydrophobicContact CD2-CZ 4.27Å; L54-F88 HydrophobicContact CB-CB 4.29Å; L54-F88 HydrophobicContact CB-CD1 4.19Å; L54-F88 HydrophobicContact CB-CG 4.45Å; L54-F88 HydrophobicContact CD2-CB 3.85Å; Q55-F88 CarbonylContact O-C 3.52Å; Q55-F88 WeakPolarHBondContact O-CA 3.36Å; Y56-F88 HydrophobicContact CD1-CD1 4.18Å; Y56-F88 AromaticContact CD1-CE1 3.95Å; Y56-F88 HydrophobicContact CD1-CE1 3.95Å; Y56-F88 HydrophobicContact CG-CD1 4.27Å; Y56-F88 HydrophobicContact CG-CE1 4Å; L66-F88 HydrophobicContact CD1-CE1 3.92Å; L66-F88 HydrophobicContact CD1-CZ 4.43Å; L66-F88 HydrophobicContact CD2-CE1 4.36Å; V72-F88 HydrophobicContact CG1-CE1 4.49Å; V72-F88 HydrophobicContact CG1-CE2 3.96Å; V72-F88 HydrophobicContact CG1-CZ 3.48Å; V72-F88 VanDerWaalsContact CG1-CZ 3.48Å; V77-F88 HydrophobicContact CB-CZ 4.5Å; V77-F88 HydrophobicContact CG1-CE1 4.01Å; V77-F88 HydrophobicContact CG1-CZ 3.87Å; V77-F88 HydrophobicContact CG2-CE1 3.94Å; V77-F88 HydrophobicContact CG2-CZ 3.95Å
89S97.6Very high90.6Very high30 Ų3040.6 Ų40.621%0.2123%0.23CC..EExtended strand (participates in β ladder)trans-107.3132166.3-50.70000110S17 L54 Q55S17-S89 CarbonylContact O-C 3.51Å; S17-S89 WeakPolarHBondContact O-CA 3.46Å; L54-S89 WeakPolarHBondContact CA-O 3.33Å; Q55-S89 PolarHBondContact N-O 2.88Å; Q55-S89 PolarHBondContact O-N 3.26Å
90F98.1Very high91Very high3 Ų339.5 Ų39.51%0.01323%0.228CC..EExtended strand (participates in β ladder)trans-95.7105.9177.6-177.8-90.8000109.9V16 S17 T18 F37 V40 I44 F52 L54 L111V16-F90 HydrophobicContact CG1-CB 3.75Å; S17-F90 PolarHBondContact O-N 3.15Å; T18-F90 HydrophobicContact CG2-CB 4.17Å; T18-F90 HydrophobicContact CG2-CD1 4.16Å; F37-F90 HydrophobicContact CD2-CD2 4.43Å; F37-F90 AromaticContact CD2-CE2 3.96Å; F37-F90 HydrophobicContact CD2-CE2 3.96Å; F37-F90 HydrophobicContact CE2-CD2 4.22Å; F37-F90 AromaticContact CE2-CE2 3.53Å; F37-F90 HydrophobicContact CE2-CE2 3.53Å; F37-F90 HydrophobicContact CE2-CZ 4.38Å; F37-F90 HydrophobicContact CZ-CE2 4.36Å; V40-F90 HydrophobicContact CB-CD2 4.38Å; V40-F90 HydrophobicContact CB-CE2 4.47Å; V40-F90 HydrophobicContact CG1-CB 4.46Å; V40-F90 HydrophobicContact CG1-CD2 3.52Å; V40-F90 HydrophobicContact CG1-CE2 3.74Å; V40-F90 HydrophobicContact CG1-CG 3.95Å; V40-F90 HydrophobicContact CG1-CZ 4.37Å; I44-F90 HydrophobicContact CD1-CD1 4.36Å; I44-F90 HydrophobicContact CD1-CE1 3.73Å; I44-F90 HydrophobicContact CD1-CZ 4.01Å; F52-F90 HydrophobicContact CB-CE1 3.94Å; F52-F90 HydrophobicContact CB-CE2 3.9Å; F52-F90 HydrophobicContact CB-CZ 3.49Å; F52-F90 VanDerWaalsContact CB-CZ 3.49Å; F52-F90 HydrophobicContact CD1-CD1 4.06Å; F52-F90 AromaticContact CD1-CE1 3.41Å; F52-F90 HydrophobicContact CD1-CE1 3.41Å; F52-F90 VanDerWaalsContact CD1-CE1 3.41Å; F52-F90 AromaticContact CD1-CZ 3.89Å; F52-F90 HydrophobicContact CD1-CZ 3.89Å; F52-F90 HydrophobicContact CD2-CE1 4.44Å; F52-F90 HydrophobicContact CD2-CZ 4.27Å; F52-F90 HydrophobicContact CE1-CE1 4.05Å; F52-F90 AromaticContact CG-CE1 3.66Å; F52-F90 HydrophobicContact CG-CE1 3.66Å; F52-F90 HydrophobicContact CG-CE2 4.48Å; F52-F90 AromaticContact CG-CZ 3.61Å; F52-F90 HydrophobicContact CG-CZ 3.61Å; L54-F90 HydrophobicContact CD2-CB 4.06Å; L54-F90 HydrophobicContact CD2-CD2 3.98Å; L54-F90 HydrophobicContact CG-CD2 4.37Å; F90-L111 HydrophobicContact CD1-CD1 4.41Å; F90-L111 HydrophobicContact CE1-CD1 4.01Å
91Y97.8Very high91.4Very high51 Ų5139.6 Ų39.620%0.223%0.229CC..EExtended strand (participates in β ladder)trans-132.2152.7-171.5-65.4-31.1000111.7F19 F52 G53 Q55 K93F19-Y91 HydrophobicContact CD1-CE1 4.49Å; F19-Y91 HydrophobicContact CD2-CD1 4.01Å; F19-Y91 AromaticContact CD2-CE1 3.82Å; F19-Y91 HydrophobicContact CD2-CE1 3.82Å; F19-Y91 AromaticContact CE1-CE1 4Å; F19-Y91 HydrophobicContact CE1-CE1 4Å; F19-Y91 AromaticContact CE2-CD1 3.31Å; F19-Y91 HydrophobicContact CE2-CD1 3.31Å; F19-Y91 AromaticContact CE2-CE1 3.21Å; F19-Y91 HydrophobicContact CE2-CE1 3.21Å; F19-Y91 HydrophobicContact CE2-CG 4.37Å; F19-Y91 HydrophobicContact CG-CE1 4.41Å; F19-Y91 AromaticContact CZ-CD1 3.81Å; F19-Y91 HydrophobicContact CZ-CD1 3.81Å; F19-Y91 AromaticContact CZ-CE1 3.32Å; F19-Y91 HydrophobicContact CZ-CE1 3.32Å; F19-Y91 AromaticContact CZ-CZ 3.85Å; F52-Y91 CarbonylContact C-O 3.46Å; F52-Y91 WeakPolarHBondContact CA-O 3.49Å; G53-Y91 PolarHBondContact N-O 2.87Å; G53-Y91 PolarHBondContact O-N 2.98Å; G53-Y91 VanDerWaalsContact O-N 3.12Å; Q55-Y91 HydrophobicContact CB-CD2 4.39Å; Y91-K93 PolarHBondContact O-N 2.88Å
92A97.8Very high92.7Very high3 Ų336 Ų363%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-64.7118.216700000109.3Y51 F52 F112 Q115Y51-A92 CarbonylContact O-C 3.53Å; F52-A92 HydrophobicContact CD1-CB 4.27Å; F52-A92 HydrophobicContact CE1-CB 4.12Å; A92-F112 HydrophobicContact CB-CD1 4.07Å; A92-F112 HydrophobicContact CB-CE1 3.59Å; A92-F112 HydrophobicContact CB-CE2 4.47Å; A92-F112 HydrophobicContact CB-CZ 3.82Å; A92-Q115 PolarHBondContact O-NE2 3.24Å
93K97.4Very high93.9Very high25 Ų2532.2 Ų32.211%0.10917%0.167CC..  trans-92.9-28.9175.7-176.5175.9-179.2179.50111.7Y51 W65 Y91 L293Y51-K93 PolarHBondContact O-N 2.62Å; W65-K93 HydrophobicContact CD2-CD 3.69Å; W65-K93 HydrophobicContact CD2-CG 4.09Å; W65-K93 HydrophobicContact CE3-CB 4.31Å; W65-K93 HydrophobicContact CE3-CD 3.99Å; W65-K93 HydrophobicContact CE3-CG 4.35Å; W65-K93 HydrophobicContact CG-CD 3.96Å; W65-K93 HydrophobicContact CH2-CB 3.68Å; W65-K93 HydrophobicContact CH2-CG 4.08Å; W65-K93 HydrophobicContact CZ2-CB 3.92Å; W65-K93 HydrophobicContact CZ2-CD 4.35Å; W65-K93 HydrophobicContact CZ2-CG 3.81Å; W65-K93 HydrophobicContact CZ3-CB 3.9Å; W65-K93 HydrophobicContact CZ3-CD 4.43Å; W65-K93 HydrophobicContact CZ3-CG 4.35Å; Y91-K93 PolarHBondContact O-N 2.88Å; K93-L293 HydrophobicContact CG-CD2 3.92Å
94F98.3Very high94.9Very high22 Ų2230.1 Ų30.110%0.09616%0.156CC..SBendtrans-126.5144.4-179.6-53.1-73.4000109.9Y51 F112 L293 L300Y51-F94 PolarHBondContact O-N 3.5Å; F94-F112 WeakPolarHBondContact O-CZ 3.25Å; F94-L293 HydrophobicContact CD1-CD2 4.49Å; F94-L293 HydrophobicContact CE1-CD2 3.99Å; F94-L300 HydrophobicContact CB-CD1 3.38Å; F94-L300 HydrophobicContact CD1-CD1 4.31Å; F94-L300 HydrophobicContact CD2-CD1 4.13Å; F94-L300 HydrophobicContact CG-CD1 3.69Å
95F98.1Very high95.4Very high19 Ų1926.7 Ų26.78%0.08314%0.136CC..  trans-107.9154.9-178.3-72.9-101.8000111F112 V116 Y211 S232 R304F95-F112 HydrophobicContact CD1-CD1 4.18Å; F95-F112 AromaticContact CD1-CE1 3.72Å; F95-F112 HydrophobicContact CD1-CE1 3.72Å; F95-F112 HydrophobicContact CE1-CD1 4.18Å; F95-F112 HydrophobicContact CE1-CE1 4.02Å; F95-F112 HydrophobicContact CG-CE1 4.19Å; F95-V116 HydrophobicContact CE1-CG2 3.99Å; F95-Y211 AromaticContact CD1-CE1 3.92Å; F95-Y211 HydrophobicContact CD1-CE1 3.92Å; F95-Y211 HydrophobicContact CD1-CE2 4.14Å; F95-Y211 AromaticContact CD1-CZ 3.65Å; F95-Y211 HydrophobicContact CE1-CE2 4.21Å; F95-S232 WeakPolarHBondContact O-CB 3.27Å; F95-R304 PolarHBondContact O-NH2 3.21Å
96P96.7Very high95.6Very high4 Ų429.8 Ų29.83%0.02615%0.149CC..  trans-61.6164.3167.327.2-34.3000112.2V99 E102 L103 S232P96-V99 HydrophobicContact CG-CB 4.35Å; P96-V99 HydrophobicContact CG-CG1 3.72Å; P96-E102 WeakPolarHBondContact CA-OE2 3.29Å; P96-E102 HydrophobicContact CB-CB 3.77Å; P96-E102 HydrophobicContact CB-CG 4.29Å; P96-L103 HydrophobicContact CG-CD2 4.3Å; P96-S232 PolarHBondContact O-OG 3.26Å
97E93.7Very high95.8Very high35 Ų3530.5 Ų30.516%0.16416%0.155CC..SBendtrans-83.5-30.2159.8-74.6174.4-122.200110.9E102 V233 Y301 R304 R305E97-E102 WeakPolarHBondContact CA-OE1 3.38Å; E97-E102 WeakPolarHBondContact CB-OE1 3.29Å; E97-E102 PolarHBondContact N-OE1 2.93Å; E97-V233 HydrophobicContact CG-CG2 3.89Å; E97-Y301 WeakPolarHBondContact OE1-CD2 3.44Å; E97-R304 WeakPolarHBondContact OE1-CD 3.41Å; E97-R304 IonicContact OE1-CZ 3.51Å; E97-R304 IonicContact OE1-NE 3.86Å; E97-R304 PolarHBondContact OE1-NE 3.04Å; E97-R304 IonicContact OE1-NH1 3.81Å; E97-R304 PolarHBondContact OE1-NH1 2.94Å; E97-R305 IonicContact OE1-CZ 2.64Å; E97-R305 IonicContact OE1-NH1 2.75Å; E97-R305 PolarHBondContact OE1-NH1 3.34Å; E97-R305 IonicContact OE1-NH2 3.69Å; E97-R305 IonicContact OE2-CZ 2.71Å; E97-R305 IonicContact OE2-NH1 2.75Å; E97-R305 PolarHBondContact OE2-NH1 3.11Å; E97-R305 IonicContact OE2-NH2 3.89Å; E97-R305 PolarHBondContact OE2-NH2 3.06Å
98N92.9Very high96Very high12 Ų1227.9 Ų27.96%0.06414%0.139CC..  trans-143.9116.2167.8178.7-13.3000111.8S100 E101 E102N98-S100 PolarHBondContact O-N 3.3Å; N98-S100 VanDerWaalsContact O-N 3.12Å; N98-S100 PolarHBondContact OD1-N 3.07Å; N98-S100 PolarHBondContact OD1-OG 2.8Å; N98-E101 HydrophobicContact CB-CB 4.47Å; N98-E101 HydrophobicContact CB-CG 4.46Å; N98-E101 WeakPolarHBondContact ND2-CG 3.46Å; N98-E101 PolarHBondContact O-N 3.4Å; N98-E102 PolarHBondContact N-OE1 2.94Å; N98-E102 WeakPolarHBondContact O-CB 3.43Å; N98-E102 PolarHBondContact O-N 2.88Å
99V94.9Very high96Very high1 Ų128.5 Ų28.51%0.00614%0.142CC..Hα-helixtrans-57.4-31.7-176.3-57.90000113.5P96 L103 M199 L202 K203 Q206 Y211P96-V99 HydrophobicContact CG-CB 4.35Å; P96-V99 HydrophobicContact CG-CG1 3.72Å; V99-L103 HydrophobicContact CB-CD1 4.05Å; V99-L103 HydrophobicContact CG1-CD1 4.48Å; V99-L103 WeakPolarHBondContact O-CB 3.24Å; V99-L103 VanDerWaalsContact O-CG 3.32Å; V99-L103 WeakPolarHBondContact O-CG 3.47Å; V99-L103 PolarHBondContact O-N 2.88Å; V99-M199 HydrophobicContact CG2-SD 4.02Å; V99-L202 HydrophobicContact CB-CB 4.3Å; V99-L202 HydrophobicContact CG1-CB 4.26Å; V99-L202 HydrophobicContact CG2-CB 4.04Å; V99-K203 HydrophobicContact CG2-CB 4.46Å; V99-K203 HydrophobicContact CG2-CG 3.87Å; V99-Q206 HydrophobicContact CG1-CB 4.2Å; V99-Y211 WeakPolarHBondContact CG1-OH 3.31Å
100S90.9Very high96Very high46 Ų4628 Ų2832%0.32214%0.137SC..Hα-helixtrans-87.2-10.9-171640000114.9N98N98-S100 PolarHBondContact O-N 3.3Å; N98-S100 VanDerWaalsContact O-N 3.12Å; N98-S100 PolarHBondContact OD1-N 3.07Å; N98-S100 PolarHBondContact OD1-OG 2.8Å
101E89.7Confident96Very high104 Ų10428.2 Ų28.249%0.48614%0.137SC..Hα-helixtrans-110-22.3177.2-61.3-76-170.600112.1N98 N565N98-E101 HydrophobicContact CB-CB 4.47Å; N98-E101 HydrophobicContact CB-CG 4.46Å; N98-E101 WeakPolarHBondContact ND2-CG 3.46Å; N98-E101 PolarHBondContact O-N 3.4Å; E101-N565 PolarHBondContact OE1-ND2 2.68Å
102E94.5Very high96.1Very high25 Ų2525.8 Ų25.812%0.11713%0.128CC..Hα-helixtrans-108.3-20.6-171.3-84.9-179.9-10500116.2Y51 P96 E97 N98 R304Y51-E102 PolarHBondContact OH-O 2.92Å; P96-E102 WeakPolarHBondContact CA-OE2 3.29Å; P96-E102 HydrophobicContact CB-CB 3.77Å; P96-E102 HydrophobicContact CB-CG 4.29Å; E97-E102 WeakPolarHBondContact CA-OE1 3.38Å; E97-E102 WeakPolarHBondContact CB-OE1 3.29Å; E97-E102 PolarHBondContact N-OE1 2.93Å; N98-E102 PolarHBondContact N-OE1 2.94Å; N98-E102 WeakPolarHBondContact O-CB 3.43Å; N98-E102 PolarHBondContact O-N 2.88Å; E102-R304 VanDerWaalsContact CD-NE 3.27Å; E102-R304 IonicContact OE1-NE 3.84Å; E102-R304 PolarHBondContact OE1-NE 3.37Å; E102-R304 IonicContact OE2-CZ 2.74Å; E102-R304 VanDerWaalsContact OE2-CZ 3.22Å; E102-R304 IonicContact OE2-NE 3.09Å; E102-R304 PolarHBondContact OE2-NE 3.38Å; E102-R304 IonicContact OE2-NH2 3.7Å; E102-R304 PolarHBondContact OE2-NH2 3.06Å
103L97.2Very high96.1Very high17 Ų1725.8 Ų25.89%0.08913%0.128CC..  trans-95.6119.9178.7-54.8-175.7000109.5Y51 P96 V99 T108 F112 L202Y51-L103 HydrophobicContact CD2-CD2 4.34Å; Y51-L103 HydrophobicContact CE2-CD2 3.78Å; P96-L103 HydrophobicContact CG-CD2 4.3Å; V99-L103 HydrophobicContact CB-CD1 4.05Å; V99-L103 HydrophobicContact CG1-CD1 4.48Å; V99-L103 WeakPolarHBondContact O-CB 3.24Å; V99-L103 VanDerWaalsContact O-CG 3.32Å; V99-L103 WeakPolarHBondContact O-CG 3.47Å; V99-L103 PolarHBondContact O-N 2.88Å; L103-T108 HydrophobicContact CD2-CG2 4.02Å; L103-F112 HydrophobicContact CD1-CB 4.35Å; L103-F112 HydrophobicContact CD1-CD2 3.97Å; L103-F112 HydrophobicContact CD1-CG 4.28Å; L103-F112 HydrophobicContact CD2-CD2 3.75Å; L103-F112 HydrophobicContact CD2-CE2 3.61Å; L103-F112 HydrophobicContact CD2-CZ 4.46Å; L103-L202 HydrophobicContact CD1-CD1 4.07Å
104I96.8Very high96.1Very high24 Ų2425.8 Ų25.812%0.12313%0.128CC..  trans-107.3-39.1-166.7-52164.9000112.2E48 I312 M315 K316 A319E48-I104 PolarHBondContact OE1-N 2.91Å; E48-I104 PolarHBondContact OE2-N 3.5Å; I104-I312 HydrophobicContact CD1-CG2 3.99Å; I104-M315 HydrophobicContact CD1-CB 4.36Å; I104-M315 HydrophobicContact CD1-CE 4.28Å; I104-M315 HydrophobicContact CG2-CB 3.9Å; I104-M315 WeakPolarHBondContact CG2-O 3.12Å; I104-K316 HydrophobicContact CD1-CG 3.85Å; I104-K316 HydrophobicContact CG1-CG 3.94Å; I104-K316 HydrophobicContact CG2-CG 4.15Å; I104-A319 HydrophobicContact CG2-CB 3.84Å; I104-A319 WeakPolarHBondContact O-CB 3.47Å
105Q95.9Very high96.1Very high43 Ų4325.8 Ų25.820%0.20113%0.129CC..SBendtrans-102.3142.9-178.4-56-178.3-99.800112.1G45 E48 I107 T108 Q109 M315G45-Q105 PolarHBondContact O-NE2 2.88Å; E48-Q105 WeakPolarHBondContact OE2-CB 3.12Å; E48-Q105 WeakPolarHBondContact OE2-CG 3.35Å; E48-Q105 PolarHBondContact OE2-N 3.47Å; Q105-I107 VanDerWaalsContact C-N 3.28Å; Q105-I107 HydrophobicContact CB-CG2 4.03Å; Q105-I107 PolarHBondContact O-N 2.95Å; Q105-T108 WeakPolarHBondContact O-CB 3.32Å; Q105-T108 PolarHBondContact O-N 3.01Å; Q105-T108 VanDerWaalsContact O-N 3.08Å; Q105-Q109 PolarHBondContact O-N 3.09Å; Q105-M315 HydrophobicContact CG-CE 4.29Å
106E95.4Very high96.1Very high75 Ų7525 Ų2535%0.3513%0.125SC..Hα-helixtrans-59.7-34.9176.8-68.8167.8-167.700112.5Q109 H110 D195 R326E106-Q109 PolarHBondContact O-N 3.43Å; E106-H110 WeakPolarHBondContact O-CB 3.39Å; E106-H110 PolarHBondContact O-N 3.14Å; E106-D195 HydrophobicContact CG-CB 4.15Å; E106-R326 IonicContact OE1-CZ 3.16Å; E106-R326 IonicContact OE1-NE 2.62Å; E106-R326 IonicContact OE1-NH1 3.84Å; E106-R326 PolarHBondContact OE1-NH1 2.97Å; E106-R326 IonicContact OE1-NH2 3.22Å; E106-R326 PolarHBondContact OE1-NH2 3.29Å; E106-R326 IonicContact OE2-CZ 3.4Å; E106-R326 VanDerWaalsContact OE2-CZ 3.24Å; E106-R326 IonicContact OE2-NH1 3.96Å; E106-R326 PolarHBondContact OE2-NH1 3.03Å; E106-R326 IonicContact OE2-NH2 2.73Å; E106-R326 PolarHBondContact OE2-NH2 3.17Å
107I96.3Very high96.2Very high46 Ų4627.1 Ų27.124%0.23613%0.134CC..Hα-helixtrans-66-40.2174.1-176.460000112.7L46 Q105 H110 L111L46-I107 HydrophobicContact CB-CG2 4.21Å; L46-I107 HydrophobicContact CD1-CG1 4.49Å; L46-I107 HydrophobicContact CD1-CG2 4.48Å; Q105-I107 VanDerWaalsContact C-N 3.28Å; Q105-I107 HydrophobicContact CB-CG2 4.03Å; Q105-I107 PolarHBondContact O-N 2.95Å; I107-H110 PolarHBondContact O-N 2.97Å; I107-L111 HydrophobicContact CD1-CD1 4.2Å; I107-L111 HydrophobicContact CD1-CG 4.22Å; I107-L111 HydrophobicContact CG1-CD1 4.19Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 2.9Å; I107-L111 VanDerWaalsContact O-N 3.1Å
108T97.8Very high96.4Very high0 Ų028.9 Ų28.90%014%0.142CC..Hα-helixtrans-62.5-47.8176.2-53.20000110E48 Y51 F52 L103 Q105 L111 F112E48-T108 HydrophobicContact CB-CG2 3.94Å; E48-T108 HydrophobicContact CG-CG2 4.47Å; E48-T108 WeakPolarHBondContact OE2-CB 3.42Å; E48-T108 WeakPolarHBondContact OE2-CG2 3.27Å; E48-T108 PolarHBondContact OE2-OG1 3.34Å; Y51-T108 HydrophobicContact CD2-CG2 4.07Å; Y51-T108 HydrophobicContact CE2-CG2 4.32Å; F52-T108 HydrophobicContact CE2-CG2 3.98Å; F52-T108 HydrophobicContact CZ-CG2 4.09Å; L103-T108 HydrophobicContact CD2-CG2 4.02Å; Q105-T108 WeakPolarHBondContact O-CB 3.32Å; Q105-T108 PolarHBondContact O-N 3.01Å; Q105-T108 VanDerWaalsContact O-N 3.08Å; T108-L111 PolarHBondContact O-N 3.32Å; T108-F112 HydrophobicContact CG2-CD2 4.11Å; T108-F112 HydrophobicContact CG2-CE2 4.17Å; T108-F112 WeakPolarHBondContact O-CD2 3.45Å; T108-F112 PolarHBondContact O-N 2.87Å; T108-F112 VanDerWaalsContact O-N 3.1Å
109Q98Very high96.6Very high13 Ų1329.5 Ų29.56%0.06115%0.148CC..Hα-helixtrans-59.8-45.6177.2-169.6-168.7-84.200111.7Q105 E106 L111 F112 F113 D195 M199 L202Q105-Q109 PolarHBondContact O-N 3.09Å; E106-Q109 PolarHBondContact O-N 3.43Å; Q109-L111 PolarHBondContact O-N 2.6Å; Q109-F112 PolarHBondContact O-N 3.37Å; Q109-F113 WeakPolarHBondContact O-CB 3.47Å; Q109-F113 PolarHBondContact O-N 2.97Å; Q109-D195 PolarHBondContact NE2-O 3.33Å; Q109-M199 HydrophobicContact CG-CE 4.18Å; Q109-L202 HydrophobicContact CG-CD1 3.91Å
110H98.1Very high96.7Very high21 Ų2129.6 Ų29.610%0.09715%0.148CC..Hα-helixtrans-61.1-45.4-179.6-169.953.4000112.2D20 E106 I107 F112 F113 L114 R194 E198D20-H110 IonicContact OD2-CD2 2.74Å; E106-H110 WeakPolarHBondContact O-CB 3.39Å; E106-H110 PolarHBondContact O-N 3.14Å; I107-H110 PolarHBondContact O-N 2.97Å; H110-F112 PolarHBondContact O-N 3.41Å; H110-F113 AromaticContact ND1-CD1 3.94Å; H110-F113 WeakPolarHBondContact O-CB 3.18Å; H110-F113 PolarHBondContact O-N 3.5Å; H110-L114 WeakPolarHBondContact NE2-CD1 3.43Å; H110-L114 WeakPolarHBondContact O-CG 3.41Å; H110-L114 PolarHBondContact O-N 3.45Å; H110-R194 PolarHBondContact CE1-NH2 3.48Å; H110-R194 PolarHBondContact ND1-NH2 3.31Å; H110-R194 PolarHBondContact NE2-NH2 2.64Å; H110-E198 VanDerWaalsContact CA-OE2 3.3Å; H110-E198 WeakPolarHBondContact CA-OE2 3.29Å; H110-E198 WeakPolarHBondContact CB-OE2 3.27Å; H110-E198 IonicContact CE1-OE1 2.76Å; H110-E198 PolarHBondContact CE1-OE1 2.84Å; H110-E198 IonicContact CG-OE1 3.57Å; H110-E198 IonicContact CG-OE2 2.66Å; H110-E198 IonicContact ND1-OE1 2.66Å; H110-E198 PolarHBondContact ND1-OE1 3.48Å; H110-E198 IonicContact ND1-OE2 2.63Å; H110-E198 PolarHBondContact ND1-OE2 2.94Å
111L98.2Very high97Very high6 Ų628.6 Ų28.63%0.03114%0.139CC..Hα-helixtrans-66.3-37178.3-67.7172.1000112.4T18 I44 L46 F52 F90 I107 T108 Q109 Q115T18-L111 HydrophobicContact CG2-CD2 4.19Å; I44-L111 HydrophobicContact CD1-CD1 4.01Å; L46-L111 HydrophobicContact CD1-CD1 3.83Å; F52-L111 HydrophobicContact CE1-CB 3.98Å; F52-L111 HydrophobicContact CE1-CD1 4.21Å; F52-L111 HydrophobicContact CZ-CB 4.29Å; F52-L111 HydrophobicContact CZ-CD1 4.47Å; F90-L111 HydrophobicContact CD1-CD1 4.41Å; F90-L111 HydrophobicContact CE1-CD1 4.01Å; I107-L111 HydrophobicContact CD1-CD1 4.2Å; I107-L111 HydrophobicContact CD1-CG 4.22Å; I107-L111 HydrophobicContact CG1-CD1 4.19Å; I107-L111 WeakPolarHBondContact O-CG 3.4Å; I107-L111 PolarHBondContact O-N 2.9Å; I107-L111 VanDerWaalsContact O-N 3.1Å; T108-L111 PolarHBondContact O-N 3.32Å; Q109-L111 PolarHBondContact O-N 2.6Å; L111-Q115 WeakPolarHBondContact O-CB 3.34Å; L111-Q115 PolarHBondContact O-N 2.94Å; L111-Q115 VanDerWaalsContact O-N 3.1Å
112F98.6Very high97.3Very high0 Ų026.2 Ų26.20%013%0.134CC..Hα-helixtrans-63.6-45.8170.2-93.1-72.7000111.9Y51 F52 A92 F94 F95 L103 T108 Q109 H110 L114 Q115 V116 L202Y51-F112 HydrophobicContact CD1-CE2 4.39Å; Y51-F112 HydrophobicContact CD1-CZ 4.09Å; Y51-F112 AromaticContact CD2-CE2 3.8Å; Y51-F112 HydrophobicContact CD2-CE2 3.8Å; Y51-F112 HydrophobicContact CD2-CZ 4.3Å; Y51-F112 HydrophobicContact CE2-CE2 4.44Å; Y51-F112 AromaticContact CG-CE2 3.77Å; Y51-F112 HydrophobicContact CG-CE2 3.77Å; Y51-F112 AromaticContact CG-CZ 3.81Å; Y51-F112 HydrophobicContact CG-CZ 3.81Å; F52-F112 HydrophobicContact CZ-CD2 4.3Å; F52-F112 HydrophobicContact CZ-CE2 4.18Å; A92-F112 HydrophobicContact CB-CD1 4.07Å; A92-F112 HydrophobicContact CB-CE1 3.59Å; A92-F112 HydrophobicContact CB-CE2 4.47Å; A92-F112 HydrophobicContact CB-CZ 3.82Å; F94-F112 WeakPolarHBondContact O-CZ 3.25Å; F95-F112 HydrophobicContact CD1-CD1 4.18Å; F95-F112 AromaticContact CD1-CE1 3.72Å; F95-F112 HydrophobicContact CD1-CE1 3.72Å; F95-F112 HydrophobicContact CE1-CD1 4.18Å; F95-F112 HydrophobicContact CE1-CE1 4.02Å; F95-F112 HydrophobicContact CG-CE1 4.19Å; L103-F112 HydrophobicContact CD1-CB 4.35Å; L103-F112 HydrophobicContact CD1-CD2 3.97Å; L103-F112 HydrophobicContact CD1-CG 4.28Å; L103-F112 HydrophobicContact CD2-CD2 3.75Å; L103-F112 HydrophobicContact CD2-CE2 3.61Å; L103-F112 HydrophobicContact CD2-CZ 4.46Å; T108-F112 HydrophobicContact CG2-CD2 4.11Å; T108-F112 HydrophobicContact CG2-CE2 4.17Å; T108-F112 WeakPolarHBondContact O-CD2 3.45Å; T108-F112 PolarHBondContact O-N 2.87Å; T108-F112 VanDerWaalsContact O-N 3.1Å; Q109-F112 PolarHBondContact O-N 3.37Å; H110-F112 PolarHBondContact O-N 3.41Å; F112-L114 PolarHBondContact O-N 3.43Å; F112-Q115 PolarHBondContact O-N 3.49Å; F112-V116 WeakPolarHBondContact O-CB 3.28Å; F112-V116 WeakPolarHBondContact O-CG2 3.38Å; F112-V116 PolarHBondContact O-N 2.9Å; F112-L202 HydrophobicContact CB-CD1 3.91Å; F112-L202 HydrophobicContact CB-CD2 4.14Å
113F98.6Very high97.2Very high4 Ų427.6 Ų27.62%0.01814%0.141CC..Hα-helixtrans-56.5-50.7177.1156.6-99.4000111.1Q109 H110 Q115 V116 K117 A139 V142 E198 Y201 L202Q109-F113 WeakPolarHBondContact O-CB 3.47Å; Q109-F113 PolarHBondContact O-N 2.97Å; H110-F113 AromaticContact ND1-CD1 3.94Å; H110-F113 WeakPolarHBondContact O-CB 3.18Å; H110-F113 PolarHBondContact O-N 3.5Å; F113-Q115 PolarHBondContact O-N 2.65Å; F113-V116 PolarHBondContact O-N 2.97Å; F113-K117 HydrophobicContact CZ-CD 4.06Å; F113-K117 WeakPolarHBondContact O-CB 3.2Å; F113-K117 PolarHBondContact O-N 2.87Å; F113-A139 HydrophobicContact CE2-CB 4.37Å; F113-A139 HydrophobicContact CZ-CB 4.26Å; F113-V142 HydrophobicContact CD1-CG1 4.37Å; F113-V142 HydrophobicContact CE1-CB 4.04Å; F113-V142 HydrophobicContact CE1-CG1 3.61Å; F113-V142 HydrophobicContact CE1-CG2 4.11Å; F113-V142 HydrophobicContact CE2-CG2 4.03Å; F113-V142 HydrophobicContact CZ-CB 3.82Å; F113-V142 HydrophobicContact CZ-CG1 3.94Å; F113-V142 HydrophobicContact CZ-CG2 3.68Å; F113-E198 HydrophobicContact CB-CB 4.16Å; F113-E198 HydrophobicContact CB-CG 4.23Å; F113-E198 HydrophobicContact CD1-CG 3.93Å; F113-E198 HydrophobicContact CD2-CB 4.47Å; F113-E198 HydrophobicContact CD2-CG 4.23Å; F113-E198 HydrophobicContact CE1-CG 4.4Å; F113-E198 HydrophobicContact CG-CB 4.2Å; F113-E198 HydrophobicContact CG-CG 3.85Å; F113-Y201 AromaticContact CD2-CD1 3.76Å; F113-Y201 HydrophobicContact CD2-CD1 3.76Å; F113-Y201 HydrophobicContact CD2-CD2 4.07Å; F113-Y201 HydrophobicContact CD2-CE1 4.32Å; F113-Y201 AromaticContact CD2-CG 3.67Å; F113-Y201 HydrophobicContact CD2-CG 3.67Å; F113-Y201 HydrophobicContact CE2-CD1 4.18Å; F113-Y201 AromaticContact CE2-CD2 3.67Å; F113-Y201 HydrophobicContact CE2-CD2 3.67Å; F113-Y201 HydrophobicContact CE2-CE2 4.04Å; F113-Y201 AromaticContact CE2-CG 3.78Å; F113-Y201 HydrophobicContact CE2-CG 3.78Å; F113-L202 HydrophobicContact CB-CD1 4.31Å; F113-L202 HydrophobicContact CB-CG 4.36Å
114L98Very high97.1Very high24 Ų2432 Ų3213%0.12617%0.165CC..Hα-helixtrans-61.2-45.3-179.9-69.4177.3000112.3F19 D20 H110 F112 Q118F19-L114 HydrophobicContact CB-CB 3.63Å; F19-L114 HydrophobicContact CB-CD1 3.68Å; F19-L114 HydrophobicContact CB-CG 4.23Å; F19-L114 HydrophobicContact CD2-CB 4.2Å; F19-L114 HydrophobicContact CG-CB 4.04Å; D20-L114 HydrophobicContact CB-CD1 3.71Å; H110-L114 WeakPolarHBondContact NE2-CD1 3.43Å; H110-L114 WeakPolarHBondContact O-CG 3.41Å; H110-L114 PolarHBondContact O-N 3.45Å; F112-L114 PolarHBondContact O-N 3.43Å; L114-Q118 PolarHBondContact O-N 3.3Å
115Q98.2Very high97.1Very high23 Ų2331.4 Ų31.411%0.10716%0.162CC..Hα-helixtrans-65-46.6179.9-174.2168.9-36.400111.9F19 A92 L111 F112 F113 Q118 S119F19-Q115 HydrophobicContact CD2-CB 4.05Å; F19-Q115 VanDerWaalsContact CE2-CA 3.47Å; F19-Q115 HydrophobicContact CE2-CB 3.44Å; F19-Q115 VanDerWaalsContact CE2-CB 3.44Å; F19-Q115 HydrophobicContact CE2-CG 3.65Å; F19-Q115 HydrophobicContact CZ-CB 4.16Å; F19-Q115 HydrophobicContact CZ-CG 4.04Å; A92-Q115 PolarHBondContact O-NE2 3.24Å; L111-Q115 WeakPolarHBondContact O-CB 3.34Å; L111-Q115 PolarHBondContact O-N 2.94Å; L111-Q115 VanDerWaalsContact O-N 3.1Å; F112-Q115 PolarHBondContact O-N 3.49Å; F113-Q115 PolarHBondContact O-N 2.65Å; Q115-Q118 PolarHBondContact O-N 2.94Å; Q115-S119 PolarHBondContact O-N 2.71Å; Q115-S119 PolarHBondContact O-OG 3.43Å
116V98.4Very high97.2Very high1 Ų129.8 Ų29.81%0.00615%0.154CC..Hα-helixtrans-66.8-39.6-179.91760000110.7F95 F112 F113 Q118 S119 I120 I125 Y201 L202 A205 Y211F95-V116 HydrophobicContact CE1-CG2 3.99Å; F112-V116 WeakPolarHBondContact O-CB 3.28Å; F112-V116 WeakPolarHBondContact O-CG2 3.38Å; F112-V116 PolarHBondContact O-N 2.9Å; F113-V116 PolarHBondContact O-N 2.97Å; V116-Q118 PolarHBondContact O-N 3.4Å; V116-S119 PolarHBondContact O-N 2.91Å; V116-I120 HydrophobicContact CG1-CD1 4.04Å; V116-I120 WeakPolarHBondContact O-CG1 3.46Å; V116-I120 PolarHBondContact O-N 3.35Å; V116-I125 HydrophobicContact CG1-CD1 4.48Å; V116-Y201 HydrophobicContact CG1-CE1 4.24Å; V116-L202 HydrophobicContact CB-CD2 4.1Å; V116-L202 HydrophobicContact CG1-CD2 4.46Å; V116-L202 HydrophobicContact CG2-CD2 3.91Å; V116-A205 HydrophobicContact CG1-CB 3.58Å; V116-Y211 HydrophobicContact CG1-CD2 4.08Å; V116-Y211 HydrophobicContact CG1-CE2 4.04Å; V116-Y211 HydrophobicContact CG2-CD2 4.32Å; V116-Y211 HydrophobicContact CG2-CE2 3.72Å
117K98Very high97.2Very high50 Ų5026.2 Ų26.222%0.21714%0.137CC..Hα-helixtrans-57.6-47.6171.8-173.1-165.473.170.30111.3F113 I120 L121 A139 Y201F113-K117 HydrophobicContact CZ-CD 4.06Å; F113-K117 WeakPolarHBondContact O-CB 3.2Å; F113-K117 PolarHBondContact O-N 2.87Å; K117-I120 PolarHBondContact O-N 3.36Å; K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 VanDerWaalsContact NZ-CD1 3.27Å; K117-L121 WeakPolarHBondContact O-CG 3.41Å; K117-L121 PolarHBondContact O-N 3.41Å; K117-A139 HydrophobicContact CD-CB 4Å; K117-Y201 WeakPolarHBondContact CA-OH 2.85Å; K117-Y201 HydrophobicContact CB-CE1 4.35Å
118Q97.1Very high97.2Very high71 Ų7127.4 Ų27.433%0.33214%0.139SC..Hα-helixtrans-64.6-43.2179.1-166.760.929.500111.8F19 L114 Q115 V116 I120 L121 S122F19-Q118 HydrophobicContact CD1-CB 4.37Å; F19-Q118 HydrophobicContact CE1-CB 3.82Å; F19-Q118 HydrophobicContact CE1-CG 3.93Å; F19-Q118 HydrophobicContact CZ-CB 4.34Å; L114-Q118 PolarHBondContact O-N 3.3Å; Q115-Q118 PolarHBondContact O-N 2.94Å; V116-Q118 PolarHBondContact O-N 3.4Å; Q118-I120 PolarHBondContact O-N 2.83Å; Q118-L121 PolarHBondContact O-N 2.98Å; Q118-S122 WeakPolarHBondContact O-CB 3.36Å; Q118-S122 PolarHBondContact O-N 2.92Å; Q118-S122 PolarHBondContact O-OG 3.5Å; Q118-S122 VanDerWaalsContact O-OG 3.06Å
119S97.3Very high97.1Very high25 Ų2527.7 Ų27.718%0.17514%0.141CC..Hα-helixtrans-62.8-27.6177.5-61.10000113.8Q115 V116 S122 D124 I125Q115-S119 PolarHBondContact O-N 2.71Å; Q115-S119 PolarHBondContact O-OG 3.43Å; V116-S119 PolarHBondContact O-N 2.91Å; S119-S122 WeakPolarHBondContact CA-OG 3.38Å; S119-S122 PolarHBondContact O-OG 3.39Å; S119-D124 PolarHBondContact O-N 2.89Å; S119-I125 PolarHBondContact O-N 3.47Å
120I97.9Very high97Very high4 Ų427.4 Ų27.42%0.02114%0.139CC..Hα-helixtrans-77-45.9173.2-72.1169.4000110.4V116 K117 Q118 S122 M123 I125 C127 L135 P164 Y201 A205 L208V116-I120 HydrophobicContact CG1-CD1 4.04Å; V116-I120 WeakPolarHBondContact O-CG1 3.46Å; V116-I120 PolarHBondContact O-N 3.35Å; K117-I120 PolarHBondContact O-N 3.36Å; Q118-I120 PolarHBondContact O-N 2.83Å; I120-S122 VanDerWaalsContact C-N 3.31Å; I120-S122 PolarHBondContact O-N 3.38Å; I120-M123 PolarHBondContact O-N 2.8Å; I120-I125 HydrophobicContact CG1-CB 4.01Å; I120-I125 HydrophobicContact CG1-CG2 4.03Å; I120-C127 HydrophobicContact CG1-CB 4.49Å; I120-C127 HydrophobicContact CG2-CB 3.73Å; I120-L135 HydrophobicContact CD1-CD1 3.78Å; I120-P164 HydrophobicContact CG2-CG 4.08Å; I120-P164 WeakPolarHBondContact O-CG 3.29Å; I120-Y201 HydrophobicContact CD1-CE1 4.44Å; I120-A205 HydrophobicContact CD1-CB 4.15Å; I120-L208 HydrophobicContact CD1-CD1 3.73Å; I120-L208 HydrophobicContact CG1-CD1 4.22Å
121L96.8Very high96.8Very high24 Ų2426.5 Ų26.513%0.12614%0.136CC..Hα-helixtrans-62.8-35.3178.8-68169.7000112.9K117 Q118 M123 E161K117-L121 HydrophobicContact CG-CD1 4.08Å; K117-L121 VanDerWaalsContact NZ-CD1 3.27Å; K117-L121 WeakPolarHBondContact O-CG 3.41Å; K117-L121 PolarHBondContact O-N 3.41Å; Q118-L121 PolarHBondContact O-N 2.98Å; L121-M123 VanDerWaalsContact C-N 3.27Å; L121-M123 PolarHBondContact O-N 3.11Å; L121-E161 WeakPolarHBondContact CD1-O 3.48Å; L121-E161 WeakPolarHBondContact CD2-O 3.39Å
122S95.2Very high96.8Very high55 Ų5526.4 Ų26.439%0.38514%0.136SC..THydrogen-bonded Turntrans-77-6.5174.361.80000114.5Q118 S119 I120 D124Q118-S122 WeakPolarHBondContact O-CB 3.36Å; Q118-S122 PolarHBondContact O-N 2.92Å; Q118-S122 PolarHBondContact O-OG 3.5Å; Q118-S122 VanDerWaalsContact O-OG 3.06Å; S119-S122 WeakPolarHBondContact CA-OG 3.38Å; S119-S122 PolarHBondContact O-OG 3.39Å; I120-S122 VanDerWaalsContact C-N 3.31Å; I120-S122 PolarHBondContact O-N 3.38Å; S122-D124 WeakPolarHBondContact CB-OD2 3.49Å; S122-D124 PolarHBondContact O-N 3.22Å; S122-D124 PolarHBondContact OG-N 3.38Å; S122-D124 PolarHBondContact OG-OD2 2.85Å
123M93.4Very high96.7Very high53 Ų5326.4 Ų26.426%0.26114%0.136SC..THydrogen-bonded Turntrans61.818.6-170-60.6-74.3-73.300115I120 L121 I125 Y126 P164I120-M123 PolarHBondContact O-N 2.8Å; L121-M123 VanDerWaalsContact C-N 3.27Å; L121-M123 PolarHBondContact O-N 3.11Å; M123-I125 VanDerWaalsContact C-N 3.28Å; M123-Y126 HydrophobicContact CE-CD2 4.02Å; M123-Y126 HydrophobicContact CE-CE2 4.46Å; M123-P164 HydrophobicContact CG-CB 3.88Å; M123-P164 HydrophobicContact SD-CB 3.43Å; M123-P164 WeakPolarHBondContact SD-CB 3.36Å; M123-P164 HydrophobicContact SD-CG 4.08Å
124D95.4Very high96.5Very high111 Ų11126.2 Ų26.259%0.59414%0.135SC*.SBendtrans-66.4-33.4169-71.4-58.6000111.6S119 S122 M210S119-D124 PolarHBondContact O-N 2.89Å; S122-D124 WeakPolarHBondContact CB-OD2 3.49Å; S122-D124 PolarHBondContact O-N 3.22Å; S122-D124 PolarHBondContact OG-N 3.38Å; S122-D124 PolarHBondContact OG-OD2 2.85Å; D124-M210 WeakPolarHBondContact O-CE 3.25Å
125I97.6Very high96.5Very high11 Ų1125.1 Ų25.16%0.05613%0.129CC..SBendtrans-109.4112.5165.7-63.5172.8000107.3V116 S119 I120 M123 C127 L208 M210 Y211V116-I125 HydrophobicContact CG1-CD1 4.48Å; S119-I125 PolarHBondContact O-N 3.47Å; I120-I125 HydrophobicContact CG1-CB 4.01Å; I120-I125 HydrophobicContact CG1-CG2 4.03Å; M123-I125 VanDerWaalsContact C-N 3.28Å; I125-C127 PolarHBondContact O-N 3.43Å; I125-L208 HydrophobicContact CG2-CB 4.09Å; I125-L208 HydrophobicContact CG2-CD1 3.78Å; I125-M210 HydrophobicContact CG2-CB 4.27Å; I125-Y211 HydrophobicContact CD1-CD2 4.4Å
126Y97.1Very high96.5Very high9 Ų924.2 Ų24.24%0.03513%0.125CC..  trans-60.1128.6171.8175.6-100.1000111M123 R128 M210 L244 L599 D600M123-Y126 HydrophobicContact CE-CD2 4.02Å; M123-Y126 HydrophobicContact CE-CE2 4.46Å; Y126-R128 HydrophobicContact CE1-CG 3.9Å; Y126-M210 WeakPolarHBondContact CB-SD 3.16Å; Y126-L244 HydrophobicContact CD1-CD1 4.11Å; Y126-L244 HydrophobicContact CD1-CD2 3.98Å; Y126-L244 HydrophobicContact CE1-CD1 4.32Å; Y126-L244 HydrophobicContact CG-CD2 4.29Å; Y126-L599 HydrophobicContact CD2-CB 3.6Å; Y126-L599 HydrophobicContact CD2-CD1 4.06Å; Y126-L599 HydrophobicContact CD2-CG 4.47Å; Y126-L599 HydrophobicContact CE2-CB 3.83Å; Y126-L599 HydrophobicContact CG-CB 4.01Å; Y126-L599 HydrophobicContact CG-CD1 4.32Å; Y126-D600 VanDerWaalsContact CE2-OD1 3.31Å; Y126-D600 WeakPolarHBondContact CE2-OD1 3.09Å; Y126-D600 WeakPolarHBondContact OH-CA 3.39Å; Y126-D600 PolarHBondContact OH-OD1 3.2Å
127C96.3Very high96.4Very high0 Ų024.2 Ų24.20%013%0.125CC..  trans-128.8135.3173.7-163.50000109.3I120 I125 L208I120-C127 HydrophobicContact CG1-CB 4.49Å; I120-C127 HydrophobicContact CG2-CB 3.73Å; I125-C127 PolarHBondContact O-N 3.43Å; C127-L208 HydrophobicContact CB-CD1 4.04Å; C127-L208 HydrophobicContact CB-CD2 4.49Å
128R95.3Very high96.3Very high71 Ų7122.2 Ų22.227%0.26812%0.116SC..  trans-65.7153177.5-78.2-177.3-78132.2-4.6111.3Y126 E130 A131 S132 S603Y126-R128 HydrophobicContact CE1-CG 3.9Å; R128-E130 IonicContact CZ-OE1 2.67Å; R128-E130 IonicContact NH1-OE1 3.45Å; R128-E130 PolarHBondContact NH1-OE1 2.78Å; R128-E130 PolarHBondContact O-N 2.9Å; R128-A131 HydrophobicContact CB-CB 4.4Å; R128-A131 PolarHBondContact O-N 3.2Å; R128-A131 VanDerWaalsContact O-N 3.12Å; R128-S132 WeakPolarHBondContact O-CB 3.44Å; R128-S132 PolarHBondContact O-N 3.34Å; R128-S132 PolarHBondContact O-OG 2.85Å; R128-S603 WeakPolarHBondContact CD-OG 3.47Å
129P95.7Very high96.3Very high6 Ų619.3 Ų19.34%0.03910%0.104CC..Hα-helixtrans-51-50178-31.838.9000114.5A131 S132 V133 V167 Y171 I587P129-A131 VanDerWaalsContact C-N 3.32Å; P129-A131 PolarHBondContact O-N 2.78Å; P129-S132 WeakPolarHBondContact O-CB 3.47Å; P129-S132 PolarHBondContact O-N 3.09Å; P129-V133 PolarHBondContact O-N 3.47Å; P129-V133 VanDerWaalsContact O-N 3.12Å; P129-V167 HydrophobicContact CB-CG1 3.82Å; P129-V167 HydrophobicContact CG-CG1 4.17Å; P129-V167 HydrophobicContact CG-CG2 4.47Å; P129-Y171 HydrophobicContact CB-CE2 3.73Å; P129-Y171 WeakPolarHBondContact CB-OH 3.19Å; P129-Y171 HydrophobicContact CG-CE2 3.74Å; P129-Y171 WeakPolarHBondContact CG-OH 3.34Å; P129-I587 HydrophobicContact CB-CD1 3.63Å
130E95Very high96.2Very high6 Ų618.1 Ų18.13%0.02810%0.096CC..Hα-helixtrans-65.5-33.3179.665.7-85.7-158.600113.2R128 L134 L580 L583 R584 I587R128-E130 IonicContact CZ-OE1 2.67Å; R128-E130 IonicContact NH1-OE1 3.45Å; R128-E130 PolarHBondContact NH1-OE1 2.78Å; R128-E130 PolarHBondContact O-N 2.9Å; E130-L134 PolarHBondContact O-N 3.32Å; E130-L580 HydrophobicContact CG-CB 4.41Å; E130-L580 HydrophobicContact CG-CD2 4.21Å; E130-L583 HydrophobicContact CB-CB 3.85Å; E130-L583 WeakPolarHBondContact O-CD1 2.94Å; E130-R584 HydrophobicContact CB-CB 3.95Å; E130-R584 HydrophobicContact CG-CB 3.98Å; E130-R584 HydrophobicContact CG-CG 4.45Å; E130-R584 WeakPolarHBondContact OE1-CD 3.48Å; E130-R584 IonicContact OE1-NE 3.91Å; E130-I587 HydrophobicContact CB-CD1 4.35Å
131A95.5Very high96.1Very high3 Ų318 Ų183%0.02510%0.096CC..Hα-helixtrans-75.2-34.6175.700000111.6R128 P129 L134 L135 L580R128-A131 HydrophobicContact CB-CB 4.4Å; R128-A131 PolarHBondContact O-N 3.2Å; R128-A131 VanDerWaalsContact O-N 3.12Å; P129-A131 VanDerWaalsContact C-N 3.32Å; P129-A131 PolarHBondContact O-N 2.78Å; A131-L134 PolarHBondContact O-N 2.93Å; A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 VanDerWaalsContact O-CG 3.28Å; A131-L135 WeakPolarHBondContact O-CG 3.38Å; A131-L135 PolarHBondContact O-N 3.09Å; A131-L580 HydrophobicContact CB-CD2 4.02Å
132S97.1Very high96Very high4 Ų417.5 Ų17.53%0.0289%0.093CC..Hα-helixtrans-64.2-41.8177.1-590000111.6R128 P129 A136R128-S132 WeakPolarHBondContact O-CB 3.44Å; R128-S132 PolarHBondContact O-N 3.34Å; R128-S132 PolarHBondContact O-OG 2.85Å; P129-S132 WeakPolarHBondContact O-CB 3.47Å; P129-S132 PolarHBondContact O-N 3.09Å; S132-A136 VanDerWaalsContact O-CB 3.24Å; S132-A136 WeakPolarHBondContact O-CB 3.17Å; S132-A136 PolarHBondContact O-N 2.95Å
133V96.4Very high95.9Very high0 Ų020.7 Ų20.70%010%0.102CC..Hα-helixtrans-65.4-42.3175.7179.10000112.1P129 A136 S137 L163 W178 R181 I182 L583P129-V133 PolarHBondContact O-N 3.47Å; P129-V133 VanDerWaalsContact O-N 3.12Å; V133-A136 WeakPolarHBondContact O-CB 3.36Å; V133-A136 PolarHBondContact O-N 3.49Å; V133-S137 PolarHBondContact O-N 2.87Å; V133-S137 VanDerWaalsContact O-N 3.1Å; V133-L163 HydrophobicContact CG2-CD1 4.44Å; V133-L163 HydrophobicContact CG2-CD2 4.06Å; V133-W178 HydrophobicContact CG2-CE3 3.89Å; V133-W178 HydrophobicContact CG2-CZ3 3.56Å; V133-R181 HydrophobicContact CG1-CB 3.97Å; V133-I182 HydrophobicContact CG1-CG1 4.02Å; V133-L583 HydrophobicContact CB-CD1 4.23Å; V133-L583 HydrophobicContact CB-CD2 3.99Å; V133-L583 HydrophobicContact CG1-CD1 4.24Å; V133-L583 HydrophobicContact CG1-CD2 3.53Å
134L95.9Very high95.9Very high0 Ų022 Ų220%011%0.105CC..Hα-helixtrans-67-42.3177.8-175.258.6000111.8E130 A131 A136 S137 Y138 W185 I204 V576 Q579 L580 L583E130-L134 PolarHBondContact O-N 3.32Å; A131-L134 PolarHBondContact O-N 2.93Å; L134-A136 VanDerWaalsContact C-N 3.33Å; L134-A136 PolarHBondContact O-N 3.38Å; L134-S137 PolarHBondContact O-N 3.28Å; L134-S137 PolarHBondContact O-OG 3.1Å; L134-Y138 HydrophobicContact CD1-CE2 4.01Å; L134-Y138 HydrophobicContact CG-CD2 4.4Å; L134-Y138 HydrophobicContact CG-CE2 3.92Å; L134-Y138 WeakPolarHBondContact O-CD2 3.43Å; L134-Y138 PolarHBondContact O-N 3.15Å; L134-W185 HydrophobicContact CD1-CB 4.37Å; L134-W185 HydrophobicContact CD1-CG 4.44Å; L134-I204 HydrophobicContact CD2-CD1 4.15Å; L134-V576 HydrophobicContact CD2-CG1 3.88Å; L134-Q579 HydrophobicContact CD2-CB 4.24Å; L134-L580 HydrophobicContact CB-CD2 4.22Å; L134-L580 HydrophobicContact CD2-CD2 3.82Å; L134-L580 HydrophobicContact CD2-CG 4.03Å; L134-L583 HydrophobicContact CB-CD1 3.86Å
135L97.4Very high95.7Very high1 Ų117.9 Ų17.91%0.0059%0.088CC..Hα-helixtrans-64.4-37.7174-72.9177.4000111.8I120 A131 S137 Y138 A139 Y201 I204 A205I120-L135 HydrophobicContact CD1-CD1 3.78Å; A131-L135 WeakPolarHBondContact O-CB 3.48Å; A131-L135 VanDerWaalsContact O-CG 3.28Å; A131-L135 WeakPolarHBondContact O-CG 3.38Å; A131-L135 PolarHBondContact O-N 3.09Å; L135-S137 PolarHBondContact O-N 3.03Å; L135-Y138 PolarHBondContact O-N 2.88Å; L135-A139 PolarHBondContact O-N 2.84Å; L135-Y201 HydrophobicContact CB-CD2 4.14Å; L135-Y201 HydrophobicContact CB-CE2 3.59Å; L135-Y201 HydrophobicContact CD2-CD1 4.04Å; L135-Y201 HydrophobicContact CD2-CD2 3.73Å; L135-Y201 HydrophobicContact CD2-CE1 4.13Å; L135-Y201 HydrophobicContact CD2-CE2 3.86Å; L135-Y201 HydrophobicContact CD2-CG 3.79Å; L135-Y201 WeakPolarHBondContact CD2-O 3.33Å; L135-Y201 HydrophobicContact CG-CE2 4.24Å; L135-Y201 WeakPolarHBondContact O-CD2 3.16Å; L135-Y201 WeakPolarHBondContact O-CE2 3.17Å; L135-I204 HydrophobicContact CD2-CB 3.97Å; L135-I204 HydrophobicContact CD2-CG2 3.89Å; L135-I204 HydrophobicContact CG-CG2 4.23Å; L135-A205 HydrophobicContact CD1-CB 4.49Å
136A97.5Very high95.4Very high4 Ų420.8 Ų20.83%0.03311%0.108CC..Hα-helixtrans-60.7-41174.900000112.3S132 V133 L134 A139 V140 L162 L163 I182S132-A136 VanDerWaalsContact O-CB 3.24Å; S132-A136 WeakPolarHBondContact O-CB 3.17Å; S132-A136 PolarHBondContact O-N 2.95Å; V133-A136 WeakPolarHBondContact O-CB 3.36Å; V133-A136 PolarHBondContact O-N 3.49Å; L134-A136 VanDerWaalsContact C-N 3.33Å; L134-A136 PolarHBondContact O-N 3.38Å; A136-A139 PolarHBondContact O-N 2.91Å; A136-V140 WeakPolarHBondContact O-CG2 3.48Å; A136-V140 PolarHBondContact O-N 3.35Å; A136-L162 HydrophobicContact CB-CB 4.36Å; A136-L162 VanDerWaalsContact CB-O 3.31Å; A136-L162 WeakPolarHBondContact CB-O 3.5Å; A136-L163 HydrophobicContact CB-CD2 4.02Å; A136-I182 HydrophobicContact CB-CD1 3.9Å; A136-I182 HydrophobicContact CB-CG1 4.06Å; A136-I182 HydrophobicContact CB-CG2 4.42Å
137S96.3Very high95.2Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-67.3-36.3178.7730000112.9V133 L134 L135 H141 I182 W185 H189V133-S137 PolarHBondContact O-N 2.87Å; V133-S137 VanDerWaalsContact O-N 3.1Å; L134-S137 PolarHBondContact O-N 3.28Å; L134-S137 PolarHBondContact O-OG 3.1Å; L135-S137 PolarHBondContact O-N 3.03Å; S137-H141 PolarHBondContact O-N 2.82Å; S137-I182 WeakPolarHBondContact CB-O 3.34Å; S137-W185 WeakPolarHBondContact OG-CB 3.46Å; S137-H189 PolarHBondContact OG-NE2 2.83Å
138Y96.9Very high94.9Very high9 Ų925.2 Ų25.24%0.03513%0.129CC..Hα-helixtrans-63.8-45168.5-72.2-64000111.5L134 L135 V140 H141 V142 H189 M192 V197 E200 I204L134-Y138 HydrophobicContact CD1-CE2 4.01Å; L134-Y138 HydrophobicContact CG-CD2 4.4Å; L134-Y138 HydrophobicContact CG-CE2 3.92Å; L134-Y138 WeakPolarHBondContact O-CD2 3.43Å; L134-Y138 PolarHBondContact O-N 3.15Å; L135-Y138 PolarHBondContact O-N 2.88Å; Y138-V140 VanDerWaalsContact C-N 3.34Å; Y138-V140 PolarHBondContact O-N 2.87Å; Y138-H141 WeakPolarHBondContact O-CB 3.21Å; Y138-H141 PolarHBondContact O-N 2.7Å; Y138-H141 VanDerWaalsContact O-N 3.1Å; Y138-V142 WeakPolarHBondContact O-CG2 3.39Å; Y138-V142 PolarHBondContact O-N 3.49Å; Y138-V142 VanDerWaalsContact O-N 3.07Å; Y138-H189 AromaticContact CD1-CD2 3.79Å; Y138-H189 AromaticContact CD1-CE1 3.45Å; Y138-H189 VanDerWaalsContact CD1-CE1 3.45Å; Y138-H189 WeakPolarHBondContact CD1-CE1 3.4Å; Y138-H189 AromaticContact CD1-CG 3.99Å; Y138-H189 AromaticContact CD1-ND1 3.76Å; Y138-H189 AromaticContact CD1-NE2 3.44Å; Y138-H189 WeakPolarHBondContact CD1-NE2 3.29Å; Y138-H189 AromaticContact CE1-CE1 3.12Å; Y138-H189 WeakPolarHBondContact CE1-CE1 3.13Å; Y138-H189 AromaticContact CE1-CG 3.93Å; Y138-H189 AromaticContact CE1-ND1 3.27Å; Y138-H189 VanDerWaalsContact CE1-ND1 3.27Å; Y138-H189 WeakPolarHBondContact CE1-ND1 3.39Å; Y138-H189 AromaticContact CE1-NE2 3.66Å; Y138-H189 AromaticContact CE2-CE1 3.9Å; Y138-H189 AromaticContact CG-CE1 3.98Å; Y138-H189 AromaticContact CG-NE2 3.74Å; Y138-H189 AromaticContact CZ-CE1 3.37Å; Y138-H189 AromaticContact CZ-ND1 3.83Å; Y138-H189 PolarHBondContact N-NE2 2.98Å; Y138-M192 HydrophobicContact CE1-CE 4.31Å; Y138-M192 HydrophobicContact CE1-SD 4.41Å; Y138-V197 HydrophobicContact CD1-CG1 4.06Å; Y138-V197 VanDerWaalsContact O-CG1 3.24Å; Y138-V197 WeakPolarHBondContact O-CG1 3.48Å; Y138-E200 HydrophobicContact CE1-CB 4.11Å; Y138-E200 HydrophobicContact CE1-CG 4.36Å; Y138-I204 HydrophobicContact CD2-CD1 4.3Å; Y138-I204 HydrophobicContact CE2-CD1 3.54Å
139A97Very high94.5Very high9 Ų929.8 Ų29.87%0.07415%0.148CC..Hα-helixtrans-62.7-38.1179.500000113F113 K117 L135 A136 H141 V142 Q143 Y201F113-A139 HydrophobicContact CE2-CB 4.37Å; F113-A139 HydrophobicContact CZ-CB 4.26Å; K117-A139 HydrophobicContact CD-CB 4Å; L135-A139 PolarHBondContact O-N 2.84Å; A136-A139 PolarHBondContact O-N 2.91Å; A139-H141 VanDerWaalsContact C-N 3.35Å; A139-V142 PolarHBondContact O-N 2.94Å; A139-Q143 PolarHBondContact O-N 2.88Å; A139-Y201 HydrophobicContact CB-CD2 4.48Å; A139-Y201 HydrophobicContact CB-CE2 4.12Å
140V95.6Very high94.1Very high0 Ų036.1 Ų36.10%018%0.177CC..Hα-helixtrans-58.8-45.1171.2166.20000110.7A136 Y138 V142 Q143 Y144 L157 L162 I182 Y186A136-V140 WeakPolarHBondContact O-CG2 3.48Å; A136-V140 PolarHBondContact O-N 3.35Å; Y138-V140 VanDerWaalsContact C-N 3.34Å; Y138-V140 PolarHBondContact O-N 2.87Å; V140-V142 VanDerWaalsContact C-N 3.28Å; V140-V142 PolarHBondContact O-N 3.25Å; V140-Q143 PolarHBondContact O-N 3.18Å; V140-Q143 VanDerWaalsContact O-N 3.11Å; V140-Y144 HydrophobicContact CG1-CD2 3.9Å; V140-Y144 HydrophobicContact CG1-CE2 4.44Å; V140-Y144 WeakPolarHBondContact O-CD2 3.27Å; V140-Y144 PolarHBondContact O-N 3.41Å; V140-L157 HydrophobicContact CG1-CD1 4.1Å; V140-L157 HydrophobicContact CG1-CD2 3.71Å; V140-L157 HydrophobicContact CG2-CD1 4.07Å; V140-L157 HydrophobicContact CG2-CD2 4Å; V140-L162 HydrophobicContact CG2-CD1 3.71Å; V140-L162 HydrophobicContact CG2-CD2 3.8Å; V140-L162 HydrophobicContact CG2-CG 4.41Å; V140-I182 HydrophobicContact CG2-CG2 3.9Å; V140-Y186 HydrophobicContact CG1-CD1 3.49Å; V140-Y186 VanDerWaalsContact CG1-CD1 3.49Å; V140-Y186 HydrophobicContact CG1-CD2 4.03Å; V140-Y186 HydrophobicContact CG1-CE1 3.55Å; V140-Y186 HydrophobicContact CG1-CE2 4.1Å; V140-Y186 HydrophobicContact CG1-CG 3.77Å
141H95Very high93.7Very high3 Ų340.4 Ų40.41%0.01420%0.203CC..Hα-helixtrans-65.4-27.5177-169.2-55000113.4S137 Y138 A139 G145 P146 Y186 M192 V197S137-H141 PolarHBondContact O-N 2.82Å; Y138-H141 WeakPolarHBondContact O-CB 3.21Å; Y138-H141 PolarHBondContact O-N 2.7Å; Y138-H141 VanDerWaalsContact O-N 3.1Å; A139-H141 VanDerWaalsContact C-N 3.35Å; H141-G145 WeakPolarHBondContact CA-O 3.38Å; H141-G145 CarbonylContact O-C 3.58Å; H141-G145 VanDerWaalsContact O-CA 3.31Å; H141-G145 WeakPolarHBondContact O-CA 3.29Å; H141-G145 PolarHBondContact O-N 2.89Å; H141-G145 VanDerWaalsContact O-N 3.14Å; H141-P146 WeakPolarHBondContact NE2-CA 3.47Å; H141-Y186 HydrophobicContact CB-CD2 3.81Å; H141-Y186 HydrophobicContact CB-CE2 3.72Å; H141-Y186 AromaticContact CD2-CE2 3.95Å; H141-M192 PolarHBondContact CE1-O 3.27Å; H141-M192 VanDerWaalsContact CE1-O 3.3Å; H141-V197 HydrophobicContact CB-CG1 4.13Å
142V95.2Very high93.4Very high13 Ų1341.2 Ų41.28%0.07921%0.206CC..Hα-helixtrans-71-40.1171-178.80000111.6F113 Y138 A139 V140 R194 V197 E198F113-V142 HydrophobicContact CD1-CG1 4.37Å; F113-V142 HydrophobicContact CE1-CB 4.04Å; F113-V142 HydrophobicContact CE1-CG1 3.61Å; F113-V142 HydrophobicContact CE1-CG2 4.11Å; F113-V142 HydrophobicContact CE2-CG2 4.03Å; F113-V142 HydrophobicContact CZ-CB 3.82Å; F113-V142 HydrophobicContact CZ-CG1 3.94Å; F113-V142 HydrophobicContact CZ-CG2 3.68Å; Y138-V142 WeakPolarHBondContact O-CG2 3.39Å; Y138-V142 PolarHBondContact O-N 3.49Å; Y138-V142 VanDerWaalsContact O-N 3.07Å; A139-V142 PolarHBondContact O-N 2.94Å; V140-V142 VanDerWaalsContact C-N 3.28Å; V140-V142 PolarHBondContact O-N 3.25Å; V142-R194 HydrophobicContact CG1-CG 4.15Å; V142-V197 HydrophobicContact CG2-CB 4.45Å; V142-V197 HydrophobicContact CG2-CG1 3.52Å; V142-E198 HydrophobicContact CB-CG 4.47Å; V142-E198 HydrophobicContact CG1-CG 4.03Å; V142-E198 VanDerWaalsContact CG1-OE1 3.27Å; V142-E198 WeakPolarHBondContact CG1-OE1 3.41Å; V142-E198 HydrophobicContact CG2-CG 3.53Å
143Q92.8Very high92.9Very high121 Ų12148.2 Ų48.257%0.56524%0.236SC*.Hα-helixtrans-77.2-38.8-174.5-179.4173.9-18.500113.4A139 V140A139-Q143 PolarHBondContact O-N 2.88Å; V140-Q143 PolarHBondContact O-N 3.18Å; V140-Q143 VanDerWaalsContact O-N 3.11Å
144Y92.2Very high92.3Very high81 Ų8154.4 Ų54.432%0.31827%0.269SS..Hα-helixtrans-113-9.9-172.3-60.2-83.8000114.1V140 M156 L157V140-Y144 HydrophobicContact CG1-CD2 3.9Å; V140-Y144 HydrophobicContact CG1-CE2 4.44Å; V140-Y144 WeakPolarHBondContact O-CD2 3.27Å; V140-Y144 PolarHBondContact O-N 3.41Å; Y144-M156 HydrophobicContact CD1-CE 3.3Å; Y144-M156 HydrophobicContact CE1-CE 3.84Å; Y144-M156 HydrophobicContact CE1-CG 4.21Å; Y144-M156 HydrophobicContact CG-CE 3.9Å; Y144-M156 PolarHBondContact OH-O 2.96Å; Y144-L157 HydrophobicContact CD2-CD2 4.07Å; Y144-L157 HydrophobicContact CE2-CD2 3.6Å
145G92.2Very high91.8Very high24 Ų2456.5 Ų56.525%0.24729%0.29CS..  trans91.7-166.2-174.200000112.5H141 Y186H141-G145 WeakPolarHBondContact CA-O 3.38Å; H141-G145 CarbonylContact O-C 3.58Å; H141-G145 VanDerWaalsContact O-CA 3.31Å; H141-G145 WeakPolarHBondContact O-CA 3.29Å; H141-G145 PolarHBondContact O-N 2.89Å; H141-G145 VanDerWaalsContact O-N 3.14Å; G145-Y186 VanDerWaalsContact O-CE2 3.27Å; G145-Y186 WeakPolarHBondContact O-CE2 3.4Å; G145-Y186 PolarHBondContact O-OH 3.28Å
146P91.8Very high91.4Very high73 Ų7359.6 Ų59.647%0.47431%0.306SS..SBendtrans-61.9149.6172.3-20.333.2000112.4H141 D148 Y186H141-P146 WeakPolarHBondContact NE2-CA 3.47Å; P146-D148 PolarHBondContact O-N 2.74Å; P146-Y186 PolarHBondContact O-OH 3.48Å
147Y92.1Very high91Very high44 Ų4459.7 Ų59.717%0.17331%0.305CS..  trans-63.2131.3171.9-177.8-86.9000110.4Y152 K183 Y186 M187Y147-Y152 HydrophobicContact CD2-CD2 4.02Å; Y147-Y152 HydrophobicContact CD2-CG 4.28Å; Y147-Y152 HydrophobicContact CE2-CD1 4.02Å; Y147-Y152 AromaticContact CE2-CD2 3.71Å; Y147-Y152 HydrophobicContact CE2-CD2 3.71Å; Y147-Y152 HydrophobicContact CE2-CE2 4.25Å; Y147-Y152 AromaticContact CE2-CG 3.58Å; Y147-Y152 HydrophobicContact CE2-CG 3.58Å; Y147-K183 HydrophobicContact CE2-CG 4.2Å; Y147-Y186 AromaticContact CD2-CD1 3.7Å; Y147-Y186 HydrophobicContact CD2-CD1 3.7Å; Y147-Y186 AromaticContact CD2-CE1 3.7Å; Y147-Y186 HydrophobicContact CD2-CE1 3.7Å; Y147-Y186 HydrophobicContact CD2-CG 4.37Å; Y147-Y186 HydrophobicContact CG-CE1 4.42Å; Y147-M187 HydrophobicContact CD1-CB 4.42Å; Y147-M187 HydrophobicContact CD1-CG 3.75Å; Y147-M187 HydrophobicContact CD1-SD 4.49Å; Y147-M187 HydrophobicContact CD2-CG 3.87Å; Y147-M187 HydrophobicContact CE1-CG 3.83Å; Y147-M187 HydrophobicContact CE1-SD 4.01Å; Y147-M187 HydrophobicContact CE2-CG 3.94Å; Y147-M187 HydrophobicContact CE2-SD 4.49Å; Y147-M187 HydrophobicContact CG-CB 4.43Å; Y147-M187 HydrophobicContact CG-CG 3.77Å
148D89.3Confident90.1Very high58 Ų5862.9 Ų62.931%0.3133%0.332SS..  trans-133.6130.2171.9160.843.6000109P146 E150 T151 Y152P146-D148 PolarHBondContact O-N 2.74Å; D148-E150 VanDerWaalsContact C-N 3.3Å; D148-E150 PolarHBondContact O-N 2.81Å; D148-E150 PolarHBondContact OD1-N 2.84Å; D148-T151 VanDerWaalsContact OD2-CB 3.29Å; D148-T151 WeakPolarHBondContact OD2-CB 3.27Å; D148-T151 VanDerWaalsContact OD2-CG2 3.27Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.44Å; D148-T151 PolarHBondContact OD2-N 2.93Å; D148-T151 PolarHBondContact OD2-OG1 3.14Å; D148-Y152 WeakPolarHBondContact O-CB 3.36Å; D148-Y152 PolarHBondContact O-N 3.21Å
149Y87.8Confident88.9Confident167 Ų16766.4 Ų66.466%0.65537%0.371SS*.THydrogen-bonded Turntrans-74.3-18-176.291-74.9000113.3
150E87.1Confident88.1Confident139 Ų13967.4 Ų67.465%0.6538%0.382SS*.THydrogen-bonded Turntrans-84.9-33.5179.3-56-167176.700112.4D148D148-E150 VanDerWaalsContact C-N 3.3Å; D148-E150 PolarHBondContact O-N 2.81Å; D148-E150 PolarHBondContact OD1-N 2.84Å
151T87Confident87.7Confident95 Ų9574.8 Ų74.858%0.58342%0.417SS*.THydrogen-bonded Turntrans-97.8-26.3179.855.70000114.8D148D148-T151 VanDerWaalsContact OD2-CB 3.29Å; D148-T151 WeakPolarHBondContact OD2-CB 3.27Å; D148-T151 VanDerWaalsContact OD2-CG2 3.27Å; D148-T151 WeakPolarHBondContact OD2-CG2 3.44Å; D148-T151 PolarHBondContact OD2-N 2.93Å; D148-T151 PolarHBondContact OD2-OG1 3.14Å
152Y88.2Confident87.5Confident20 Ų2076 Ų768%0.07842%0.423CS..  trans-64.4141.6176.8-172.8-85000111.8Y147 D148 M156 L157 E179 K183 Y186Y147-Y152 HydrophobicContact CD2-CD2 4.02Å; Y147-Y152 HydrophobicContact CD2-CG 4.28Å; Y147-Y152 HydrophobicContact CE2-CD1 4.02Å; Y147-Y152 AromaticContact CE2-CD2 3.71Å; Y147-Y152 HydrophobicContact CE2-CD2 3.71Å; Y147-Y152 HydrophobicContact CE2-CE2 4.25Å; Y147-Y152 AromaticContact CE2-CG 3.58Å; Y147-Y152 HydrophobicContact CE2-CG 3.58Å; D148-Y152 WeakPolarHBondContact O-CB 3.36Å; D148-Y152 PolarHBondContact O-N 3.21Å; Y152-M156 HydrophobicContact CD2-SD 4.16Å; Y152-L157 HydrophobicContact CE2-CG 4.38Å; Y152-E179 PolarHBondContact OH-OE1 3.38Å; Y152-K183 HydrophobicContact CE1-CD 3.64Å; Y152-K183 HydrophobicContact CE1-CG 4.23Å; Y152-Y186 HydrophobicContact CD2-CE1 4.09Å; Y152-Y186 HydrophobicContact CE2-CD1 4.36Å; Y152-Y186 HydrophobicContact CE2-CE1 4.13Å
153K87.9Confident87.6Confident151 Ų15176.4 Ų76.466%0.65743%0.425SS*.  trans-134.4139.4178.3-65.4172.9-1731720109.5G155 M156K153-G155 PolarHBondContact O-N 3.37Å; K153-M156 WeakPolarHBondContact O-CB 3.46Å; K153-M156 PolarHBondContact O-N 2.68Å
154D83.6Confident87.7Confident131 Ų13170.8 Ų70.870%0.70140%0.399SS*.THydrogen-bonded Turntrans-65.4135.2177.2-56.7-46.8000110.3K183D154-K183 IonicContact OD1-NZ 3.72Å; D154-K183 PolarHBondContact OD1-NZ 2.98Å
155G85.1Confident87.7Confident43 Ų4373.9 Ų73.944%0.44341%0.414SS..THydrogen-bonded Turntrans85.42.3-170.200000114.3K153 L157 A158 E179K153-G155 PolarHBondContact O-N 3.37Å; G155-L157 PolarHBondContact O-N 2.87Å; G155-A158 WeakPolarHBondContact O-CB 3.43Å; G155-A158 PolarHBondContact O-N 3.11Å; G155-E179 WeakPolarHBondContact CA-OE1 3.05Å; G155-E179 WeakPolarHBondContact CA-OE2 3.5Å; G155-E179 PolarHBondContact N-OE1 3.35Å; G155-E179 VanDerWaalsContact N-OE1 3.09Å
156M87.8Confident87.6Confident67 Ų6774.1 Ų74.133%0.3342%0.416SS..SBendtrans-64.8-22.6173.7178.2167.6169.600112.6Y144 Y152 K153 E179Y144-M156 HydrophobicContact CD1-CE 3.3Å; Y144-M156 HydrophobicContact CE1-CE 3.84Å; Y144-M156 HydrophobicContact CE1-CG 4.21Å; Y144-M156 HydrophobicContact CG-CE 3.9Å; Y144-M156 PolarHBondContact OH-O 2.96Å; Y152-M156 HydrophobicContact CD2-SD 4.16Å; K153-M156 WeakPolarHBondContact O-CB 3.46Å; K153-M156 PolarHBondContact O-N 2.68Å; M156-E179 PolarHBondContact N-OE1 2.93Å
157L89.2Confident87.8Confident5 Ų570.7 Ų70.73%0.02639%0.394CS..SBendtrans-99.1-14.6177.2-52.4-173.9000113.4V140 Y144 Y152 G155 G159 G160 L162 E179 I182V140-L157 HydrophobicContact CG1-CD1 4.1Å; V140-L157 HydrophobicContact CG1-CD2 3.71Å; V140-L157 HydrophobicContact CG2-CD1 4.07Å; V140-L157 HydrophobicContact CG2-CD2 4Å; Y144-L157 HydrophobicContact CD2-CD2 4.07Å; Y144-L157 HydrophobicContact CE2-CD2 3.6Å; Y152-L157 HydrophobicContact CE2-CG 4.38Å; G155-L157 PolarHBondContact O-N 2.87Å; L157-G159 PolarHBondContact O-N 2.85Å; L157-G160 PolarHBondContact O-N 3.07Å; L157-L162 HydrophobicContact CB-CD1 3.82Å; L157-L162 HydrophobicContact CD1-CD1 4.28Å; L157-L162 HydrophobicContact CG-CD1 4.45Å; L157-E179 HydrophobicContact CB-CG 3.92Å; L157-E179 WeakPolarHBondContact CB-OE1 3.47Å; L157-E179 HydrophobicContact CD1-CG 4.2Å; L157-E179 HydrophobicContact CG-CG 4.29Å; L157-E179 PolarHBondContact N-OE1 2.87Å; L157-I182 HydrophobicContact CD1-CG2 4.04Å
158A78.3Confident87.8Confident68 Ų6870.7 Ų70.756%0.56240%0.398SS*.THydrogen-bonded Turntrans-60.8-10.1-173.400000116.3G155 E179G155-A158 WeakPolarHBondContact O-CB 3.43Å; G155-A158 PolarHBondContact O-N 3.11Å; A158-E179 PolarHBondContact N-OE2 2.83Å
159G72.7Confident88Confident82 Ų8271.8 Ų71.885%0.84540%0.404SS*.THydrogen-bonded Turntrans-100.2-0.1173.700000115.4L157L157-G159 PolarHBondContact O-N 2.85Å
160G78.4Confident88.3Confident31 Ų3164 Ų6432%0.3237%0.374SS..SBendtrans-95.3136.3-173.600000114.3L157 L162L157-G160 PolarHBondContact O-N 3.07Å; G160-L162 PolarHBondContact O-N 3.4Å
161E88.4Confident88.7Confident155 Ų15558.3 Ų58.372%0.72435%0.347SS*.  trans-72.475.3162-66.8-173.6168.700109.5L121L121-E161 WeakPolarHBondContact CD1-O 3.48Å; L121-E161 WeakPolarHBondContact CD2-O 3.39Å
162L91Very high89.1Confident28 Ų2861.2 Ų61.215%0.14735%0.353CS..  trans-91.4-26.4-174.3-63.9-175.1000113.9A136 V140 L157 G160 I182A136-L162 HydrophobicContact CB-CB 4.36Å; A136-L162 VanDerWaalsContact CB-O 3.31Å; A136-L162 WeakPolarHBondContact CB-O 3.5Å; V140-L162 HydrophobicContact CG2-CD1 3.71Å; V140-L162 HydrophobicContact CG2-CD2 3.8Å; V140-L162 HydrophobicContact CG2-CG 4.41Å; L157-L162 HydrophobicContact CB-CD1 3.82Å; L157-L162 HydrophobicContact CD1-CD1 4.28Å; L157-L162 HydrophobicContact CG-CD1 4.45Å; G160-L162 PolarHBondContact O-N 3.4Å; L162-I182 HydrophobicContact CB-CD1 4.04Å; L162-I182 HydrophobicContact CD1-CD1 4.09Å
163L95.7Very high89.3Confident21 Ų2161.1 Ų61.111%0.1135%0.354CS..SBendtrans-124.3145.8179.4-66.6174.6000110.2V133 A136 T168 W178 I182V133-L163 HydrophobicContact CG2-CD1 4.44Å; V133-L163 HydrophobicContact CG2-CD2 4.06Å; A136-L163 HydrophobicContact CB-CD2 4.02Å; L163-T168 HydrophobicContact CB-CG2 3.88Å; L163-T168 HydrophobicContact CD1-CG2 4.21Å; L163-W178 HydrophobicContact CD1-CB 4.02Å; L163-W178 HydrophobicContact CD1-CD2 3.53Å; L163-W178 HydrophobicContact CD1-CE3 3.51Å; L163-W178 HydrophobicContact CD1-CG 3.81Å; L163-W178 HydrophobicContact CD1-CZ3 4.12Å; L163-I182 HydrophobicContact CD1-CD1 4.28Å; L163-I182 HydrophobicContact CG-CD1 4.18Å
164P95.2Very high89.5Confident3 Ų357 Ų572%0.01934%0.341CS..  trans-63.2137.7172.5-14.528000109.9I120 M123 G166 V167 T168I120-P164 HydrophobicContact CG2-CG 4.08Å; I120-P164 WeakPolarHBondContact O-CG 3.29Å; M123-P164 HydrophobicContact CG-CB 3.88Å; M123-P164 HydrophobicContact SD-CB 3.43Å; M123-P164 WeakPolarHBondContact SD-CB 3.36Å; M123-P164 HydrophobicContact SD-CG 4.08Å; P164-G166 PolarHBondContact O-N 3.26Å; P164-G166 VanDerWaalsContact O-N 3.14Å; P164-V167 HydrophobicContact CB-CG2 4.33Å; P164-V167 HydrophobicContact CG-CG2 4.18Å; P164-V167 WeakPolarHBondContact O-CA 3.37Å; P164-V167 WeakPolarHBondContact O-CB 3.32Å; P164-V167 PolarHBondContact O-N 2.84Å; P164-T168 PolarHBondContact O-N 3.16Å
165K92.1Very high89.9Confident147 Ų14754.9 Ų54.964%0.63934%0.335SS*.Hα-helixtrans-57.2-34.2-179.5179.2170.4173.61720113V167 T168 D169K165-V167 PolarHBondContact O-N 2.87Å; K165-T168 WeakPolarHBondContact CA-OG1 3.25Å; K165-T168 PolarHBondContact O-N 2.74Å; K165-T168 PolarHBondContact O-OG1 2.97Å; K165-T168 VanDerWaalsContact O-OG1 3.04Å; K165-D169 VanDerWaalsContact CE-CG 3.47Å; K165-D169 VanDerWaalsContact CE-OD1 3.32Å; K165-D169 WeakPolarHBondContact CE-OD1 3.42Å; K165-D169 WeakPolarHBondContact CE-OD2 3.48Å; K165-D169 WeakPolarHBondContact CG-OD1 3.26Å; K165-D169 IonicContact NZ-OD2 3.29Å; K165-D169 WeakPolarHBondContact O-CB 3.36Å; K165-D169 PolarHBondContact O-N 3.49Å
166G91.9Very high90.2Very high28 Ų2858.3 Ų58.329%0.28934%0.339SS..Hα-helixtrans-61.4-19.9174.800000114.3P164 Q170P164-G166 PolarHBondContact O-N 3.26Å; P164-G166 VanDerWaalsContact O-N 3.14Å; G166-Q170 WeakPolarHBondContact O-CG 3.47Å; G166-Q170 PolarHBondContact O-NE2 2.79Å
167V94.3Very high90.4Very high1 Ų157.8 Ų57.81%0.00634%0.337CS..Hα-helixtrans-85.9-47.3171.3173.30000110.7P129 P164 K165 D169 Q170 Y171 W178P129-V167 HydrophobicContact CB-CG1 3.82Å; P129-V167 HydrophobicContact CG-CG1 4.17Å; P129-V167 HydrophobicContact CG-CG2 4.47Å; P164-V167 HydrophobicContact CB-CG2 4.33Å; P164-V167 HydrophobicContact CG-CG2 4.18Å; P164-V167 WeakPolarHBondContact O-CA 3.37Å; P164-V167 WeakPolarHBondContact O-CB 3.32Å; P164-V167 PolarHBondContact O-N 2.84Å; K165-V167 PolarHBondContact O-N 2.87Å; V167-D169 VanDerWaalsContact C-N 3.34Å; V167-D169 PolarHBondContact O-N 2.99Å; V167-Q170 PolarHBondContact O-N 3.38Å; V167-Y171 WeakPolarHBondContact O-CD2 3.36Å; V167-W178 HydrophobicContact CG1-CH2 4.21Å
168T93.6Very high90.7Very high44 Ų4458.1 Ų58.127%0.2734%0.338SS..Hα-helixtrans-63.3-39.7-176.855.80000112.5L163 P164 K165 Q170 Y171L163-T168 HydrophobicContact CB-CG2 3.88Å; L163-T168 HydrophobicContact CD1-CG2 4.21Å; P164-T168 PolarHBondContact O-N 3.16Å; K165-T168 WeakPolarHBondContact CA-OG1 3.25Å; K165-T168 PolarHBondContact O-N 2.74Å; K165-T168 PolarHBondContact O-OG1 2.97Å; K165-T168 VanDerWaalsContact O-OG1 3.04Å; T168-Q170 PolarHBondContact O-N 2.95Å; T168-Q170 VanDerWaalsContact O-N 3.17Å; T168-Y171 PolarHBondContact O-N 3.22Å
169D93Very high91.4Very high82 Ų8255.6 Ų55.644%0.43931%0.314SS..THydrogen-bonded Turntrans-67.6-13.9-178.6-70.110.2000112.8K165 V167 N595K165-D169 VanDerWaalsContact CE-CG 3.47Å; K165-D169 VanDerWaalsContact CE-OD1 3.32Å; K165-D169 WeakPolarHBondContact CE-OD1 3.42Å; K165-D169 WeakPolarHBondContact CE-OD2 3.48Å; K165-D169 WeakPolarHBondContact CG-OD1 3.26Å; K165-D169 IonicContact NZ-OD2 3.29Å; K165-D169 WeakPolarHBondContact O-CB 3.36Å; K165-D169 PolarHBondContact O-N 3.49Å; V167-D169 VanDerWaalsContact C-N 3.34Å; V167-D169 PolarHBondContact O-N 2.99Å; D169-N595 PolarHBondContact O-ND2 2.95Å
170Q93.8Very high92.4Very high4 Ų458 Ų582%0.01930%0.304CS..THydrogen-bonded Turntrans-87.7-4.6179.6-75.1-174.56500114.8G166 V167 T168 I592 N595 D600G166-Q170 WeakPolarHBondContact O-CG 3.47Å; G166-Q170 PolarHBondContact O-NE2 2.79Å; V167-Q170 PolarHBondContact O-N 3.38Å; T168-Q170 PolarHBondContact O-N 2.95Å; T168-Q170 VanDerWaalsContact O-N 3.17Å; Q170-I592 PolarHBondContact O-N 3.35Å; Q170-N595 HydrophobicContact CG-CB 4.27Å; Q170-N595 WeakPolarHBondContact CG-O 3.34Å; Q170-D600 VanDerWaalsContact NE2-CG 3.26Å; Q170-D600 PolarHBondContact NE2-OD1 3.14Å; Q170-D600 PolarHBondContact NE2-OD2 3.36Å
171Y95.4Very high93.1Very high18 Ų1859.6 Ų59.67%0.07130%0.3CS..BIsolated β-bridgetrans-133.9141-174.9-64.7-101000112.3P129 V167 T168 M173 W178 I587 H590 K591P129-Y171 HydrophobicContact CB-CE2 3.73Å; P129-Y171 WeakPolarHBondContact CB-OH 3.19Å; P129-Y171 HydrophobicContact CG-CE2 3.74Å; P129-Y171 WeakPolarHBondContact CG-OH 3.34Å; V167-Y171 WeakPolarHBondContact O-CD2 3.36Å; T168-Y171 PolarHBondContact O-N 3.22Å; Y171-M173 PolarHBondContact O-N 2.85Å; Y171-W178 AromaticContact CD2-CH2 3.94Å; Y171-W178 HydrophobicContact CD2-CH2 3.94Å; Y171-W178 AromaticContact CD2-CZ2 3.95Å; Y171-W178 HydrophobicContact CD2-CZ2 3.95Å; Y171-W178 HydrophobicContact CE2-CH2 4.47Å; Y171-W178 HydrophobicContact CG-CH2 4.08Å; Y171-W178 HydrophobicContact CG-CZ2 4.01Å; Y171-I587 HydrophobicContact CD1-CB 4.13Å; Y171-I587 VanDerWaalsContact CD1-O 3.27Å; Y171-I587 WeakPolarHBondContact CD1-O 3.5Å; Y171-I587 HydrophobicContact CE1-CB 3.81Å; Y171-I587 HydrophobicContact CE1-CD1 4.16Å; Y171-I587 HydrophobicContact CE1-CG1 3.7Å; Y171-I587 VanDerWaalsContact CE1-O 3.29Å; Y171-I587 WeakPolarHBondContact CE1-O 3.26Å; Y171-H590 CarbonylContact C-O 2.99Å; Y171-H590 WeakPolarHBondContact CA-O 3.45Å; Y171-H590 HydrophobicContact CD1-CB 4.22Å; Y171-K591 HydrophobicContact CD1-CB 3.9Å; Y171-K591 HydrophobicContact CD1-CG 4.33Å; Y171-K591 HydrophobicContact CE1-CB 3.58Å; Y171-K591 HydrophobicContact CE1-CD 4.29Å; Y171-K591 HydrophobicContact CE1-CG 3.8Å
172Q94.7Very high93.4Very high156 Ų15652.4 Ų52.473%0.72927%0.267SS*.SBendtrans-79.467.6170.5-166169.75800110.2H590 I592Q172-H590 PolarHBondContact N-O 2.85Å; Q172-H590 PolarHBondContact O-ND1 3.29Å; Q172-I592 HydrophobicContact CB-CD1 4.27Å; Q172-I592 HydrophobicContact CB-CG1 4.38Å
173M93.1Very high93.5Very high19 Ų1953.3 Ų53.39%0.09427%0.269CS..  trans-130.5140177.9-69.1179.758.100109.7Y171 M177 W178 R181 I587 H590Y171-M173 PolarHBondContact O-N 2.85Å; M173-M177 HydrophobicContact CB-CB 4.19Å; M173-M177 HydrophobicContact CB-CE 4.37Å; M173-M177 HydrophobicContact CB-SD 4.36Å; M173-M177 HydrophobicContact CE-CB 4Å; M173-M177 HydrophobicContact CG-CE 3.96Å; M173-W178 HydrophobicContact CB-CD2 4.47Å; M173-W178 HydrophobicContact CB-CZ2 4.41Å; M173-W178 HydrophobicContact CE-CD2 3.8Å; M173-W178 HydrophobicContact CE-CE3 3.72Å; M173-W178 HydrophobicContact CE-CG 4.33Å; M173-W178 HydrophobicContact CE-CH2 4.47Å; M173-W178 HydrophobicContact CE-CZ3 4.06Å; M173-W178 HydrophobicContact SD-CD2 4.36Å; M173-W178 HydrophobicContact SD-CE3 4.33Å; M173-W178 HydrophobicContact SD-CH2 4.01Å; M173-W178 HydrophobicContact SD-CZ2 4.04Å; M173-W178 HydrophobicContact SD-CZ3 4.14Å; M173-R181 HydrophobicContact CE-CG 4.04Å; M173-I587 HydrophobicContact CE-CG2 4.5Å; M173-I587 HydrophobicContact SD-CB 4.34Å; M173-I587 HydrophobicContact SD-CG2 4.16Å; M173-H590 HydrophobicContact CG-CB 3.63Å; M173-H590 HydrophobicContact SD-CB 4.11Å
174T92.3Very high93.4Very high63 Ų6355.2 Ų55.239%0.38728%0.282SS..  trans-82165.8176.176.40000111.1E176 M177 W178T174-E176 WeakPolarHBondContact CB-OE2 3.46Å; T174-E176 PolarHBondContact O-N 2.89Å; T174-E176 PolarHBondContact OG1-N 3.39Å; T174-E176 PolarHBondContact OG1-OE2 3.48Å; T174-M177 HydrophobicContact CG2-SD 4.11Å; T174-M177 PolarHBondContact O-N 3.48Å; T174-M177 VanDerWaalsContact O-N 3.15Å; T174-M177 WeakPolarHBondContact OG1-CG 3.29Å; T174-M177 PolarHBondContact OG1-N 3.38Å; T174-W178 VanDerWaalsContact O-CD1 3.28Å; T174-W178 PolarHBondContact O-N 2.95Å; T174-W178 VanDerWaalsContact O-N 3.11Å
175P91.5Very high93.2Very high87 Ų8756.1 Ų56.157%0.56529%0.285SS*.Hα-helixtrans-54.9-37.8174.2-2636.3000112.9W178 E179P175-W178 PolarHBondContact O-N 2.89Å; P175-E179 PolarHBondContact O-N 3.17Å
176E91.2Very high93.3Very high115 Ų11549.4 Ų49.454%0.53726%0.256SS..Hα-helixtrans-67.1-40.3178.5-52.275.1-163.300111.2T174 W178 E179 E180T174-E176 WeakPolarHBondContact CB-OE2 3.46Å; T174-E176 PolarHBondContact O-N 2.89Å; T174-E176 PolarHBondContact OG1-N 3.39Å; T174-E176 PolarHBondContact OG1-OE2 3.48Å; E176-W178 VanDerWaalsContact C-N 3.28Å; E176-W178 PolarHBondContact O-N 2.9Å; E176-E179 PolarHBondContact O-N 3.19Å; E176-E180 PolarHBondContact O-N 2.83Å
177M93.3Very high93.4Very high56 Ų5652.1 Ų52.128%0.27626%0.262SS..Hα-helixtrans-64.8-31.1174.2-65.2173.87000112.5M173 T174 R181 H590M173-M177 HydrophobicContact CB-CB 4.19Å; M173-M177 HydrophobicContact CB-CE 4.37Å; M173-M177 HydrophobicContact CB-SD 4.36Å; M173-M177 HydrophobicContact CE-CB 4Å; M173-M177 HydrophobicContact CG-CE 3.96Å; T174-M177 HydrophobicContact CG2-SD 4.11Å; T174-M177 PolarHBondContact O-N 3.48Å; T174-M177 VanDerWaalsContact O-N 3.15Å; T174-M177 WeakPolarHBondContact OG1-CG 3.29Å; T174-M177 PolarHBondContact OG1-N 3.38Å; M177-R181 WeakPolarHBondContact O-CG 2.97Å; M177-R181 PolarHBondContact O-N 3.25Å; M177-H590 VanDerWaalsContact CE-CE1 3.46Å; M177-H590 WeakPolarHBondContact CE-CE1 3.32Å
178W94.5Very high93.2Very high12 Ų1256.3 Ų56.35%0.04528%0.284CS..Hα-helixtrans-74.5-40.8171.3-72.1116.9000111.8V133 L163 V167 Y171 M173 T174 P175 E176 E180 R181 I182 I587V133-W178 HydrophobicContact CG2-CE3 3.89Å; V133-W178 HydrophobicContact CG2-CZ3 3.56Å; L163-W178 HydrophobicContact CD1-CB 4.02Å; L163-W178 HydrophobicContact CD1-CD2 3.53Å; L163-W178 HydrophobicContact CD1-CE3 3.51Å; L163-W178 HydrophobicContact CD1-CG 3.81Å; L163-W178 HydrophobicContact CD1-CZ3 4.12Å; V167-W178 HydrophobicContact CG1-CH2 4.21Å; Y171-W178 AromaticContact CD2-CH2 3.94Å; Y171-W178 HydrophobicContact CD2-CH2 3.94Å; Y171-W178 AromaticContact CD2-CZ2 3.95Å; Y171-W178 HydrophobicContact CD2-CZ2 3.95Å; Y171-W178 HydrophobicContact CE2-CH2 4.47Å; Y171-W178 HydrophobicContact CG-CH2 4.08Å; Y171-W178 HydrophobicContact CG-CZ2 4.01Å; M173-W178 HydrophobicContact CB-CD2 4.47Å; M173-W178 HydrophobicContact CB-CZ2 4.41Å; M173-W178 HydrophobicContact CE-CD2 3.8Å; M173-W178 HydrophobicContact CE-CE3 3.72Å; M173-W178 HydrophobicContact CE-CG 4.33Å; M173-W178 HydrophobicContact CE-CH2 4.47Å; M173-W178 HydrophobicContact CE-CZ3 4.06Å; M173-W178 HydrophobicContact SD-CD2 4.36Å; M173-W178 HydrophobicContact SD-CE3 4.33Å; M173-W178 HydrophobicContact SD-CH2 4.01Å; M173-W178 HydrophobicContact SD-CZ2 4.04Å; M173-W178 HydrophobicContact SD-CZ3 4.14Å; T174-W178 VanDerWaalsContact O-CD1 3.28Å; T174-W178 PolarHBondContact O-N 2.95Å; T174-W178 VanDerWaalsContact O-N 3.11Å; P175-W178 PolarHBondContact O-N 2.89Å; E176-W178 VanDerWaalsContact C-N 3.28Å; E176-W178 PolarHBondContact O-N 2.9Å; W178-E180 VanDerWaalsContact C-N 3.33Å; W178-E180 PolarHBondContact O-N 2.89Å; W178-R181 PolarHBondContact O-N 3.08Å; W178-I182 VanDerWaalsContact O-CG1 3.3Å; W178-I182 WeakPolarHBondContact O-CG1 3.41Å; W178-I182 PolarHBondContact O-N 3.49Å; W178-I587 HydrophobicContact CH2-CG2 4.44Å; W178-I587 HydrophobicContact CZ3-CG2 4Å
179E93.3Very high93Very high16 Ų1654.4 Ų54.48%0.07527%0.272CS..Hα-helixtrans-57.5-43.3173.7175160-163.300111.3Y152 G155 M156 L157 A158 P175 E176 R181 I182 K183Y152-E179 PolarHBondContact OH-OE1 3.38Å; G155-E179 WeakPolarHBondContact CA-OE1 3.05Å; G155-E179 WeakPolarHBondContact CA-OE2 3.5Å; G155-E179 PolarHBondContact N-OE1 3.35Å; G155-E179 VanDerWaalsContact N-OE1 3.09Å; M156-E179 PolarHBondContact N-OE1 2.93Å; L157-E179 HydrophobicContact CB-CG 3.92Å; L157-E179 WeakPolarHBondContact CB-OE1 3.47Å; L157-E179 HydrophobicContact CD1-CG 4.2Å; L157-E179 HydrophobicContact CG-CG 4.29Å; L157-E179 PolarHBondContact N-OE1 2.87Å; A158-E179 PolarHBondContact N-OE2 2.83Å; P175-E179 PolarHBondContact O-N 3.17Å; E176-E179 PolarHBondContact O-N 3.19Å; E179-R181 PolarHBondContact O-N 3.38Å; E179-I182 PolarHBondContact O-N 3.11Å; E179-K183 WeakPolarHBondContact O-CB 3.27Å; E179-K183 PolarHBondContact O-N 2.95Å
180E92.9Very high92.6Very high133 Ų13355.6 Ų55.662%0.62128%0.275SS*.Hα-helixtrans-58.8-47.4174.6-75.2-171.9146.900112.7E176 W178 I182 K183 T184E176-E180 PolarHBondContact O-N 2.83Å; W178-E180 VanDerWaalsContact C-N 3.33Å; W178-E180 PolarHBondContact O-N 2.89Å; E180-I182 PolarHBondContact O-N 3.44Å; E180-K183 PolarHBondContact O-N 3.39Å; E180-T184 PolarHBondContact O-N 3.08Å; E180-T184 PolarHBondContact O-OG1 3.34Å
181R93.4Very high92.3Very high64 Ų6458.6 Ų58.624%0.24230%0.295CS..Hα-helixtrans-63-42.3178.1-61.9-66.4-179-164.7-4.6111.8V133 M173 M177 W178 E179 T184 W185 E586V133-R181 HydrophobicContact CG1-CB 3.97Å; M173-R181 HydrophobicContact CE-CG 4.04Å; M177-R181 WeakPolarHBondContact O-CG 2.97Å; M177-R181 PolarHBondContact O-N 3.25Å; W178-R181 PolarHBondContact O-N 3.08Å; E179-R181 PolarHBondContact O-N 3.38Å; R181-T184 PolarHBondContact O-N 2.99Å; R181-W185 VanDerWaalsContact O-CD1 3.23Å; R181-E586 WeakPolarHBondContact CD-OE2 3.46Å; R181-E586 IonicContact CZ-OE2 2.85Å; R181-E586 IonicContact NE-OE2 3.98Å; R181-E586 IonicContact NH1-OE1 3.8Å; R181-E586 IonicContact NH1-OE2 3.26Å; R181-E586 PolarHBondContact NH1-OE2 3Å; R181-E586 PolarHBondContact NH2-O 2.93Å
182I95.3Very high92Very high4 Ų459.8 Ų59.82%0.02130%0.302CS..Hα-helixtrans-66.6-43.1178.2-66.4168000110.1V133 A136 S137 V140 L157 L162 L163 W178 E179 E180 T184 W185 Y186V133-I182 HydrophobicContact CG1-CG1 4.02Å; A136-I182 HydrophobicContact CB-CD1 3.9Å; A136-I182 HydrophobicContact CB-CG1 4.06Å; A136-I182 HydrophobicContact CB-CG2 4.42Å; S137-I182 WeakPolarHBondContact CB-O 3.34Å; V140-I182 HydrophobicContact CG2-CG2 3.9Å; L157-I182 HydrophobicContact CD1-CG2 4.04Å; L162-I182 HydrophobicContact CB-CD1 4.04Å; L162-I182 HydrophobicContact CD1-CD1 4.09Å; L163-I182 HydrophobicContact CD1-CD1 4.28Å; L163-I182 HydrophobicContact CG-CD1 4.18Å; W178-I182 VanDerWaalsContact O-CG1 3.3Å; W178-I182 WeakPolarHBondContact O-CG1 3.41Å; W178-I182 PolarHBondContact O-N 3.49Å; E179-I182 PolarHBondContact O-N 3.11Å; E180-I182 PolarHBondContact O-N 3.44Å; I182-T184 PolarHBondContact O-N 3.44Å; I182-W185 PolarHBondContact O-N 3.4Å; I182-Y186 VanDerWaalsContact O-CB 3.28Å; I182-Y186 WeakPolarHBondContact O-CB 3.45Å; I182-Y186 PolarHBondContact O-N 2.98Å
183K93.9Very high91.8Very high47 Ų4754.4 Ų54.420%0.20428%0.28CS..Hα-helixtrans-58.7-44.5176-176.5-176.3-178.6-178.90111.5Y147 Y152 D154 E179 E180 W185 Y186 M187Y147-K183 HydrophobicContact CE2-CG 4.2Å; Y152-K183 HydrophobicContact CE1-CD 3.64Å; Y152-K183 HydrophobicContact CE1-CG 4.23Å; D154-K183 IonicContact OD1-NZ 3.72Å; D154-K183 PolarHBondContact OD1-NZ 2.98Å; E179-K183 WeakPolarHBondContact O-CB 3.27Å; E179-K183 PolarHBondContact O-N 2.95Å; E180-K183 PolarHBondContact O-N 3.39Å; K183-W185 PolarHBondContact O-N 2.88Å; K183-Y186 PolarHBondContact O-N 2.97Å; K183-M187 WeakPolarHBondContact O-CG 3.49Å; K183-M187 PolarHBondContact O-N 2.88Å
184T92.6Very high91.9Very high61 Ų6159.6 Ų59.637%0.37430%0.298SS..Hα-helixtrans-52.9-51.4177.5-56.90000111.8E180 R181 I182E180-T184 PolarHBondContact O-N 3.08Å; E180-T184 PolarHBondContact O-OG1 3.34Å; R181-T184 PolarHBondContact O-N 2.99Å; I182-T184 PolarHBondContact O-N 3.44Å
185W92.3Very high91.9Very high22 Ų2257.5 Ų57.58%0.08328%0.284CS..Hα-helixtrans-78.5-21.5-179.5-62.4106.6000114L134 S137 R181 I182 K183 M187 D188 H189 Q579 T582 L583L134-W185 HydrophobicContact CD1-CB 4.37Å; L134-W185 HydrophobicContact CD1-CG 4.44Å; S137-W185 WeakPolarHBondContact OG-CB 3.46Å; R181-W185 VanDerWaalsContact O-CD1 3.23Å; I182-W185 PolarHBondContact O-N 3.4Å; K183-W185 PolarHBondContact O-N 2.88Å; W185-M187 VanDerWaalsContact C-N 3.33Å; W185-D188 HydrophobicContact CE3-CB 4.36Å; W185-D188 VanDerWaalsContact CZ3-OD2 3.27Å; W185-D188 WeakPolarHBondContact CZ3-OD2 3.45Å; W185-D188 PolarHBondContact O-N 3.02Å; W185-H189 PolarHBondContact O-CD2 2.73Å; W185-H189 VanDerWaalsContact O-CD2 3.3Å; W185-H189 PolarHBondContact O-CE1 3.04Å; W185-H189 PolarHBondContact O-NE2 3.37Å; W185-H189 VanDerWaalsContact O-NE2 3.16Å; W185-Q579 HydrophobicContact CE3-CB 4.39Å; W185-Q579 HydrophobicContact CE3-CG 4Å; W185-Q579 HydrophobicContact CH2-CB 3.99Å; W185-Q579 HydrophobicContact CH2-CG 3.81Å; W185-Q579 HydrophobicContact CZ2-CB 4.37Å; W185-Q579 HydrophobicContact CZ3-CB 4.04Å; W185-Q579 HydrophobicContact CZ3-CG 3.47Å; W185-Q579 VanDerWaalsContact CZ3-CG 3.47Å; W185-T582 HydrophobicContact CH2-CG2 4.36Å; W185-T582 HydrophobicContact CZ2-CG2 3.95Å; W185-L583 HydrophobicContact CG-CD1 4.47Å; W185-L583 HydrophobicContact CZ2-CG 4.26Å
186Y94.1Very high92Very high6 Ų655 Ų552%0.02427%0.265CS..Hα-helixtrans-66.3-35.3174.8172.4-147.4000111.6V140 H141 G145 P146 Y147 Y152 I182 K183V140-Y186 HydrophobicContact CG1-CD1 3.49Å; V140-Y186 VanDerWaalsContact CG1-CD1 3.49Å; V140-Y186 HydrophobicContact CG1-CD2 4.03Å; V140-Y186 HydrophobicContact CG1-CE1 3.55Å; V140-Y186 HydrophobicContact CG1-CE2 4.1Å; V140-Y186 HydrophobicContact CG1-CG 3.77Å; H141-Y186 HydrophobicContact CB-CD2 3.81Å; H141-Y186 HydrophobicContact CB-CE2 3.72Å; H141-Y186 AromaticContact CD2-CE2 3.95Å; G145-Y186 VanDerWaalsContact O-CE2 3.27Å; G145-Y186 WeakPolarHBondContact O-CE2 3.4Å; G145-Y186 PolarHBondContact O-OH 3.28Å; P146-Y186 PolarHBondContact O-OH 3.48Å; Y147-Y186 AromaticContact CD2-CD1 3.7Å; Y147-Y186 HydrophobicContact CD2-CD1 3.7Å; Y147-Y186 AromaticContact CD2-CE1 3.7Å; Y147-Y186 HydrophobicContact CD2-CE1 3.7Å; Y147-Y186 HydrophobicContact CD2-CG 4.37Å; Y147-Y186 HydrophobicContact CG-CE1 4.42Å; Y152-Y186 HydrophobicContact CD2-CE1 4.09Å; Y152-Y186 HydrophobicContact CE2-CD1 4.36Å; Y152-Y186 HydrophobicContact CE2-CE1 4.13Å; I182-Y186 VanDerWaalsContact O-CB 3.28Å; I182-Y186 WeakPolarHBondContact O-CB 3.45Å; I182-Y186 PolarHBondContact O-N 2.98Å; K183-Y186 PolarHBondContact O-N 2.97Å
187M93Very high92.3Very high85 Ų8549.6 Ų49.642%0.41924%0.24SC..Hα-helixtrans-63.2-39.9173.5-60.1-173.2-47.500112.7Y147 K183 W185 H189 E190Y147-M187 HydrophobicContact CD1-CB 4.42Å; Y147-M187 HydrophobicContact CD1-CG 3.75Å; Y147-M187 HydrophobicContact CD1-SD 4.49Å; Y147-M187 HydrophobicContact CD2-CG 3.87Å; Y147-M187 HydrophobicContact CE1-CG 3.83Å; Y147-M187 HydrophobicContact CE1-SD 4.01Å; Y147-M187 HydrophobicContact CE2-CG 3.94Å; Y147-M187 HydrophobicContact CE2-SD 4.49Å; Y147-M187 HydrophobicContact CG-CB 4.43Å; Y147-M187 HydrophobicContact CG-CG 3.77Å; K183-M187 WeakPolarHBondContact O-CG 3.49Å; K183-M187 PolarHBondContact O-N 2.88Å; W185-M187 VanDerWaalsContact C-N 3.33Å; M187-H189 PolarHBondContact O-N 3.23Å; M187-H189 VanDerWaalsContact O-N 3.08Å; M187-E190 PolarHBondContact O-N 2.83Å
188D90.5Very high92.5Very high88 Ų8847.2 Ų47.247%0.47123%0.228SC..THydrogen-bonded Turntrans-65.7-10.2-176.3-9116.2000114.3W185W185-D188 HydrophobicContact CE3-CB 4.36Å; W185-D188 VanDerWaalsContact CZ3-OD2 3.27Å; W185-D188 WeakPolarHBondContact CZ3-OD2 3.45Å; W185-D188 PolarHBondContact O-N 3.02Å
189H90Very high92.5Very high4 Ų447.6 Ų47.62%0.01923%0.231CC..THydrogen-bonded Turntrans-86.8-13-178.4-61.1-32.1000114.1S137 Y138 W185 M187 M192S137-H189 PolarHBondContact OG-NE2 2.83Å; Y138-H189 AromaticContact CD1-CD2 3.79Å; Y138-H189 AromaticContact CD1-CE1 3.45Å; Y138-H189 VanDerWaalsContact CD1-CE1 3.45Å; Y138-H189 WeakPolarHBondContact CD1-CE1 3.4Å; Y138-H189 AromaticContact CD1-CG 3.99Å; Y138-H189 AromaticContact CD1-ND1 3.76Å; Y138-H189 AromaticContact CD1-NE2 3.44Å; Y138-H189 WeakPolarHBondContact CD1-NE2 3.29Å; Y138-H189 AromaticContact CE1-CE1 3.12Å; Y138-H189 WeakPolarHBondContact CE1-CE1 3.13Å; Y138-H189 AromaticContact CE1-CG 3.93Å; Y138-H189 AromaticContact CE1-ND1 3.27Å; Y138-H189 VanDerWaalsContact CE1-ND1 3.27Å; Y138-H189 WeakPolarHBondContact CE1-ND1 3.39Å; Y138-H189 AromaticContact CE1-NE2 3.66Å; Y138-H189 AromaticContact CE2-CE1 3.9Å; Y138-H189 AromaticContact CG-CE1 3.98Å; Y138-H189 AromaticContact CG-NE2 3.74Å; Y138-H189 AromaticContact CZ-CE1 3.37Å; Y138-H189 AromaticContact CZ-ND1 3.83Å; Y138-H189 PolarHBondContact N-NE2 2.98Å; W185-H189 PolarHBondContact O-CD2 2.73Å; W185-H189 VanDerWaalsContact O-CD2 3.3Å; W185-H189 PolarHBondContact O-CE1 3.04Å; W185-H189 PolarHBondContact O-NE2 3.37Å; W185-H189 VanDerWaalsContact O-NE2 3.16Å; M187-H189 PolarHBondContact O-N 3.23Å; M187-H189 VanDerWaalsContact O-N 3.08Å; H189-M192 VanDerWaalsContact O-CB 3.27Å; H189-M192 WeakPolarHBondContact O-CB 3.14Å; H189-M192 WeakPolarHBondContact O-CG 3.34Å; H189-M192 PolarHBondContact O-N 2.7Å
190E84.8Confident92.6Very high107 Ų10748.3 Ų48.350%0.523%0.234SC..THydrogen-bonded Turntrans-63.8129.3171.5-168-172.7179.600108.9M187 K337M187-E190 PolarHBondContact O-N 2.83Å; E190-K337 IonicContact OE1-NZ 2.71Å; E190-K337 PolarHBondContact OE1-NZ 3.2Å; E190-K337 VanDerWaalsContact OE1-NZ 3.09Å
191P86.3Confident92.8Very high68 Ų6842.2 Ų42.244%0.44221%0.205SC..THydrogen-bonded Turncis-111.130.517.142.4-35.3000114.8R330 I334P191-R330 VanDerWaalsContact O-CZ 3.27Å; P191-R330 PolarHBondContact O-NE 3Å; P191-R330 VanDerWaalsContact O-NE 3.13Å; P191-R330 PolarHBondContact O-NH2 2.86Å; P191-I334 HydrophobicContact CB-CD1 4.18Å; P191-I334 HydrophobicContact CG-CD1 4.35Å
192M89.4Confident92.9Very high43 Ų4339.2 Ų39.221%0.21219%0.194CC..  trans-58.5139.2-175-66.4176.663.600112.1Y138 H141 H189 E196 V197 E200Y138-M192 HydrophobicContact CE1-CE 4.31Å; Y138-M192 HydrophobicContact CE1-SD 4.41Å; H141-M192 PolarHBondContact CE1-O 3.27Å; H141-M192 VanDerWaalsContact CE1-O 3.3Å; H189-M192 VanDerWaalsContact O-CB 3.27Å; H189-M192 WeakPolarHBondContact O-CB 3.14Å; H189-M192 WeakPolarHBondContact O-CG 3.34Å; H189-M192 PolarHBondContact O-N 2.7Å; M192-E196 HydrophobicContact CB-CB 4.23Å; M192-E196 HydrophobicContact CE-CB 4.06Å; M192-E196 WeakPolarHBondContact CE-O 3.41Å; M192-V197 HydrophobicContact CB-CG2 3.64Å; M192-V197 HydrophobicContact CE-CG2 4.08Å; M192-E200 HydrophobicContact CE-CB 3.9Å; M192-E200 HydrophobicContact CE-CG 4.4Å
193T91.2Very high92.9Very high43 Ų4340.7 Ų40.726%0.26420%0.2SC..  trans-79.7161.7171.748.20000110.9D195 E196 V197T193-D195 WeakPolarHBondContact CB-OD1 3.37Å; T193-D195 PolarHBondContact O-N 3.33Å; T193-D195 PolarHBondContact OG1-OD1 2.6Å; T193-E196 PolarHBondContact N-OE2 3.47Å; T193-E196 WeakPolarHBondContact O-CA 3.29Å; T193-E196 WeakPolarHBondContact O-CB 3.45Å; T193-E196 PolarHBondContact O-N 3.11Å; T193-E196 VanDerWaalsContact OG1-CD 3.29Å; T193-E196 VanDerWaalsContact OG1-CG 3.32Å; T193-E196 WeakPolarHBondContact OG1-CG 3.44Å; T193-E196 PolarHBondContact OG1-OE2 3.01Å; T193-V197 PolarHBondContact O-N 3.43Å
194R93.7Very high92.9Very high128 Ų12839 Ų3948%0.48319%0.193SC..Hα-helixtrans-55.1-38.5179.1175.7168.8160.4-178.4-12.7112.7H110 V142 V197 E198H110-R194 PolarHBondContact CE1-NH2 3.48Å; H110-R194 PolarHBondContact ND1-NH2 3.31Å; H110-R194 PolarHBondContact NE2-NH2 2.64Å; V142-R194 HydrophobicContact CG1-CG 4.15Å; R194-V197 PolarHBondContact O-N 3.42Å; R194-E198 HydrophobicContact CG-CG 4.35Å; R194-E198 VanDerWaalsContact CG-OE1 3.26Å; R194-E198 WeakPolarHBondContact CG-OE1 3.44Å; R194-E198 IonicContact CZ-OE1 2.63Å; R194-E198 IonicContact NE-OE1 3.54Å; R194-E198 PolarHBondContact NE-OE1 3.45Å; R194-E198 IonicContact NH2-OE1 3.9Å; R194-E198 WeakPolarHBondContact O-CB 3.4Å; R194-E198 VanDerWaalsContact O-CG 3.31Å; R194-E198 WeakPolarHBondContact O-CG 3.33Å; R194-E198 PolarHBondContact O-N 3.01Å
195D93.8Very high93Very high18 Ų1836.1 Ų36.110%0.09618%0.176CC..Hα-helixtrans-67.9-33.3174.667.4-67000113E106 Q109 T193 M199 K323E106-D195 HydrophobicContact CG-CB 4.15Å; Q109-D195 PolarHBondContact NE2-O 3.33Å; T193-D195 WeakPolarHBondContact CB-OD1 3.37Å; T193-D195 PolarHBondContact O-N 3.33Å; T193-D195 PolarHBondContact OG1-OD1 2.6Å; D195-M199 VanDerWaalsContact O-CB 3.23Å; D195-M199 WeakPolarHBondContact O-CB 3.39Å; D195-M199 PolarHBondContact O-N 3.46Å; D195-K323 IonicContact OD2-NZ 2.84Å; D195-K323 PolarHBondContact OD2-NZ 2.77Å
196E93.7Very high93.2Very high36 Ų3635.2 Ų35.217%0.16817%0.173CC..Hα-helixtrans-71.4-38.3174.6-70.5171.2170.900111.3M192 T193 E200 R330M192-E196 HydrophobicContact CB-CB 4.23Å; M192-E196 HydrophobicContact CE-CB 4.06Å; M192-E196 WeakPolarHBondContact CE-O 3.41Å; T193-E196 PolarHBondContact N-OE2 3.47Å; T193-E196 WeakPolarHBondContact O-CA 3.29Å; T193-E196 WeakPolarHBondContact O-CB 3.45Å; T193-E196 PolarHBondContact O-N 3.11Å; T193-E196 VanDerWaalsContact OG1-CD 3.29Å; T193-E196 VanDerWaalsContact OG1-CG 3.32Å; T193-E196 WeakPolarHBondContact OG1-CG 3.44Å; T193-E196 PolarHBondContact OG1-OE2 3.01Å; E196-E200 PolarHBondContact O-N 2.91Å; E196-R330 IonicContact OE1-CZ 3.63Å; E196-R330 IonicContact OE1-NH1 2.73Å; E196-R330 PolarHBondContact OE1-NH1 3.05Å; E196-R330 IonicContact OE1-NH2 3.58Å; E196-R330 IonicContact OE2-CZ 3.96Å; E196-R330 IonicContact OE2-NH1 2.91Å; E196-R330 PolarHBondContact OE2-NH1 3.06Å; E196-R330 IonicContact OE2-NH2 2.7Å; E196-R330 PolarHBondContact OE2-NH2 3.02Å
197V95.8Very high93.1Very high0 Ų036.8 Ų36.80%018%0.181CC..Hα-helixtrans-68.1-48.2177.5165.60000112.3Y138 H141 V142 M192 T193 R194 M199 E200 Y201Y138-V197 HydrophobicContact CD1-CG1 4.06Å; Y138-V197 VanDerWaalsContact O-CG1 3.24Å; Y138-V197 WeakPolarHBondContact O-CG1 3.48Å; H141-V197 HydrophobicContact CB-CG1 4.13Å; V142-V197 HydrophobicContact CG2-CB 4.45Å; V142-V197 HydrophobicContact CG2-CG1 3.52Å; M192-V197 HydrophobicContact CB-CG2 3.64Å; M192-V197 HydrophobicContact CE-CG2 4.08Å; T193-V197 PolarHBondContact O-N 3.43Å; R194-V197 PolarHBondContact O-N 3.42Å; V197-M199 VanDerWaalsContact C-N 3.28Å; V197-M199 PolarHBondContact O-N 2.93Å; V197-E200 PolarHBondContact O-N 2.86Å; V197-Y201 PolarHBondContact O-N 3.35Å
198E97.6Very high93.1Very high6 Ų633.6 Ų33.63%0.02817%0.166CC..Hα-helixtrans-63.4-35.9177.3-72.2174.7-168.500111.8H110 F113 V142 R194 L202H110-E198 VanDerWaalsContact CA-OE2 3.3Å; H110-E198 WeakPolarHBondContact CA-OE2 3.29Å; H110-E198 WeakPolarHBondContact CB-OE2 3.27Å; H110-E198 IonicContact CE1-OE1 2.76Å; H110-E198 PolarHBondContact CE1-OE1 2.84Å; H110-E198 IonicContact CG-OE1 3.57Å; H110-E198 IonicContact CG-OE2 2.66Å; H110-E198 IonicContact ND1-OE1 2.66Å; H110-E198 PolarHBondContact ND1-OE1 3.48Å; H110-E198 IonicContact ND1-OE2 2.63Å; H110-E198 PolarHBondContact ND1-OE2 2.94Å; F113-E198 HydrophobicContact CB-CB 4.16Å; F113-E198 HydrophobicContact CB-CG 4.23Å; F113-E198 HydrophobicContact CD1-CG 3.93Å; F113-E198 HydrophobicContact CD2-CB 4.47Å; F113-E198 HydrophobicContact CD2-CG 4.23Å; F113-E198 HydrophobicContact CE1-CG 4.4Å; F113-E198 HydrophobicContact CG-CB 4.2Å; F113-E198 HydrophobicContact CG-CG 3.85Å; V142-E198 HydrophobicContact CB-CG 4.47Å; V142-E198 HydrophobicContact CG1-CG 4.03Å; V142-E198 VanDerWaalsContact CG1-OE1 3.27Å; V142-E198 WeakPolarHBondContact CG1-OE1 3.41Å; V142-E198 HydrophobicContact CG2-CG 3.53Å; R194-E198 HydrophobicContact CG-CG 4.35Å; R194-E198 VanDerWaalsContact CG-OE1 3.26Å; R194-E198 WeakPolarHBondContact CG-OE1 3.44Å; R194-E198 IonicContact CZ-OE1 2.63Å; R194-E198 IonicContact NE-OE1 3.54Å; R194-E198 PolarHBondContact NE-OE1 3.45Å; R194-E198 IonicContact NH2-OE1 3.9Å; R194-E198 WeakPolarHBondContact O-CB 3.4Å; R194-E198 VanDerWaalsContact O-CG 3.31Å; R194-E198 WeakPolarHBondContact O-CG 3.33Å; R194-E198 PolarHBondContact O-N 3.01Å; E198-L202 WeakPolarHBondContact O-CB 3.45Å; E198-L202 WeakPolarHBondContact O-CG 3.32Å; E198-L202 PolarHBondContact O-N 3.15Å; E198-L202 VanDerWaalsContact O-N 3.1Å
199M95.8Very high93.4Very high21 Ų2130.6 Ų30.610%0.10315%0.15CC..Hα-helixtrans-66.5-42.8173.1175.553.658.300112.1V99 Q109 D195 V197 L202 K203V99-M199 HydrophobicContact CG2-SD 4.02Å; Q109-M199 HydrophobicContact CG-CE 4.18Å; D195-M199 VanDerWaalsContact O-CB 3.23Å; D195-M199 WeakPolarHBondContact O-CB 3.39Å; D195-M199 PolarHBondContact O-N 3.46Å; V197-M199 VanDerWaalsContact C-N 3.28Å; V197-M199 PolarHBondContact O-N 2.93Å; M199-L202 PolarHBondContact O-N 3.28Å; M199-K203 HydrophobicContact CG-CD 4.13Å; M199-K203 HydrophobicContact CG-CG 4.49Å; M199-K203 VanDerWaalsContact O-CG 3.29Å; M199-K203 WeakPolarHBondContact O-CG 3.46Å; M199-K203 PolarHBondContact O-N 3.21Å; M199-K203 HydrophobicContact SD-CD 4.23Å; M199-K203 HydrophobicContact SD-CG 4Å
200E93.7Very high93.7Very high30 Ų3031 Ų3114%0.1415%0.152CC..Hα-helixtrans-70.1-36.8179.1-146.462.9-144.200112.4Y138 M192 E196 V197 L202 K203 I204 Y569Y138-E200 HydrophobicContact CE1-CB 4.11Å; Y138-E200 HydrophobicContact CE1-CG 4.36Å; M192-E200 HydrophobicContact CE-CB 3.9Å; M192-E200 HydrophobicContact CE-CG 4.4Å; E196-E200 PolarHBondContact O-N 2.91Å; V197-E200 PolarHBondContact O-N 2.86Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 2.71Å; E200-K203 PolarHBondContact O-N 3.17Å; E200-K203 WeakPolarHBondContact OE1-CD 3.49Å; E200-K203 IonicContact OE1-NZ 3.2Å; E200-K203 VanDerWaalsContact OE2-CD 3.26Å; E200-K203 WeakPolarHBondContact OE2-CD 3.38Å; E200-K203 IonicContact OE2-NZ 3.5Å; E200-K203 PolarHBondContact OE2-NZ 2.93Å; E200-I204 WeakPolarHBondContact O-CG1 3.45Å; E200-I204 PolarHBondContact O-N 2.86Å; E200-I204 VanDerWaalsContact O-N 3.11Å; E200-Y569 WeakPolarHBondContact OE1-CE2 3.33Å; E200-Y569 VanDerWaalsContact OE1-CZ 3.31Å; E200-Y569 PolarHBondContact OE1-OH 3.16Å
201Y97.1Very high94.3Very high6 Ų626.6 Ų26.62%0.02413%0.131CC..Hα-helixtrans-53.3-51.8167.2-173.5-71.3000110.9F113 V116 K117 I120 L135 A139 V197 K203 I204 A205F113-Y201 AromaticContact CD2-CD1 3.76Å; F113-Y201 HydrophobicContact CD2-CD1 3.76Å; F113-Y201 HydrophobicContact CD2-CD2 4.07Å; F113-Y201 HydrophobicContact CD2-CE1 4.32Å; F113-Y201 AromaticContact CD2-CG 3.67Å; F113-Y201 HydrophobicContact CD2-CG 3.67Å; F113-Y201 HydrophobicContact CE2-CD1 4.18Å; F113-Y201 AromaticContact CE2-CD2 3.67Å; F113-Y201 HydrophobicContact CE2-CD2 3.67Å; F113-Y201 HydrophobicContact CE2-CE2 4.04Å; F113-Y201 AromaticContact CE2-CG 3.78Å; F113-Y201 HydrophobicContact CE2-CG 3.78Å; V116-Y201 HydrophobicContact CG1-CE1 4.24Å; K117-Y201 WeakPolarHBondContact CA-OH 2.85Å; K117-Y201 HydrophobicContact CB-CE1 4.35Å; I120-Y201 HydrophobicContact CD1-CE1 4.44Å; L135-Y201 HydrophobicContact CB-CD2 4.14Å; L135-Y201 HydrophobicContact CB-CE2 3.59Å; L135-Y201 HydrophobicContact CD2-CD1 4.04Å; L135-Y201 HydrophobicContact CD2-CD2 3.73Å; L135-Y201 HydrophobicContact CD2-CE1 4.13Å; L135-Y201 HydrophobicContact CD2-CE2 3.86Å; L135-Y201 HydrophobicContact CD2-CG 3.79Å; L135-Y201 WeakPolarHBondContact CD2-O 3.33Å; L135-Y201 HydrophobicContact CG-CE2 4.24Å; L135-Y201 WeakPolarHBondContact O-CD2 3.16Å; L135-Y201 WeakPolarHBondContact O-CE2 3.17Å; A139-Y201 HydrophobicContact CB-CD2 4.48Å; A139-Y201 HydrophobicContact CB-CE2 4.12Å; V197-Y201 PolarHBondContact O-N 3.35Å; Y201-K203 PolarHBondContact O-N 3.11Å; Y201-I204 PolarHBondContact O-N 3.39Å; Y201-A205 HydrophobicContact CD1-CB 4.36Å; Y201-A205 HydrophobicContact CE1-CB 4.23Å; Y201-A205 VanDerWaalsContact O-CB 3.3Å; Y201-A205 WeakPolarHBondContact O-CB 3.3Å; Y201-A205 PolarHBondContact O-N 3.47Å
202L97.4Very high94.8Very high0 Ų023.7 Ų23.70%011%0.113CC..Hα-helixtrans-66.1-36.9-178.5-77.2172.6000113V99 L103 Q109 F112 F113 V116 E198 M199 E200 I204 A205 Q206V99-L202 HydrophobicContact CB-CB 4.3Å; V99-L202 HydrophobicContact CG1-CB 4.26Å; V99-L202 HydrophobicContact CG2-CB 4.04Å; L103-L202 HydrophobicContact CD1-CD1 4.07Å; Q109-L202 HydrophobicContact CG-CD1 3.91Å; F112-L202 HydrophobicContact CB-CD1 3.91Å; F112-L202 HydrophobicContact CB-CD2 4.14Å; F113-L202 HydrophobicContact CB-CD1 4.31Å; F113-L202 HydrophobicContact CB-CG 4.36Å; V116-L202 HydrophobicContact CB-CD2 4.1Å; V116-L202 HydrophobicContact CG1-CD2 4.46Å; V116-L202 HydrophobicContact CG2-CD2 3.91Å; E198-L202 WeakPolarHBondContact O-CB 3.45Å; E198-L202 WeakPolarHBondContact O-CG 3.32Å; E198-L202 PolarHBondContact O-N 3.15Å; E198-L202 VanDerWaalsContact O-N 3.1Å; M199-L202 PolarHBondContact O-N 3.28Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 2.71Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 3.23Å; L202-A205 PolarHBondContact O-N 3.33Å; L202-Q206 WeakPolarHBondContact O-CB 3.36Å; L202-Q206 PolarHBondContact O-N 2.98Å
203K94.2Very high95.2Very high36 Ų3622.6 Ų22.616%0.15711%0.109CC..Hα-helixtrans-64.8-34.2176.7-76.6162.9170.1179.80113.2V99 M199 E200 Y201 Q206 Y569V99-K203 HydrophobicContact CG2-CB 4.46Å; V99-K203 HydrophobicContact CG2-CG 3.87Å; M199-K203 HydrophobicContact CG-CD 4.13Å; M199-K203 HydrophobicContact CG-CG 4.49Å; M199-K203 VanDerWaalsContact O-CG 3.29Å; M199-K203 WeakPolarHBondContact O-CG 3.46Å; M199-K203 PolarHBondContact O-N 3.21Å; M199-K203 HydrophobicContact SD-CD 4.23Å; M199-K203 HydrophobicContact SD-CG 4Å; E200-K203 PolarHBondContact O-N 3.17Å; E200-K203 WeakPolarHBondContact OE1-CD 3.49Å; E200-K203 IonicContact OE1-NZ 3.2Å; E200-K203 VanDerWaalsContact OE2-CD 3.26Å; E200-K203 WeakPolarHBondContact OE2-CD 3.38Å; E200-K203 IonicContact OE2-NZ 3.5Å; E200-K203 PolarHBondContact OE2-NZ 2.93Å; Y201-K203 PolarHBondContact O-N 3.11Å; K203-Q206 WeakPolarHBondContact O-CG 3.28Å; K203-Q206 PolarHBondContact O-NE2 3.45Å; K203-Y569 HydrophobicContact CB-CE1 3.92Å; K203-Y569 HydrophobicContact CB-CE2 4.38Å; K203-Y569 HydrophobicContact CD-CD2 4.4Å; K203-Y569 HydrophobicContact CD-CE2 3.77Å; K203-Y569 HydrophobicContact CG-CE2 4.47Å
204I93.3Very high95.5Very high11 Ų1122.7 Ų22.76%0.05611%0.108CC..Hα-helixtrans-77.5-41.8174.5-65.1169000110.1L134 L135 Y138 E200 Y201 L202 Q206 D207 V576L134-I204 HydrophobicContact CD2-CD1 4.15Å; L135-I204 HydrophobicContact CD2-CB 3.97Å; L135-I204 HydrophobicContact CD2-CG2 3.89Å; L135-I204 HydrophobicContact CG-CG2 4.23Å; Y138-I204 HydrophobicContact CD2-CD1 4.3Å; Y138-I204 HydrophobicContact CE2-CD1 3.54Å; E200-I204 WeakPolarHBondContact O-CG1 3.45Å; E200-I204 PolarHBondContact O-N 2.86Å; E200-I204 VanDerWaalsContact O-N 3.11Å; Y201-I204 PolarHBondContact O-N 3.39Å; L202-I204 VanDerWaalsContact C-N 3.33Å; L202-I204 PolarHBondContact O-N 3.23Å; I204-Q206 VanDerWaalsContact C-N 3.35Å; I204-Q206 PolarHBondContact O-N 3.46Å; I204-D207 PolarHBondContact O-N 2.88Å; I204-V576 HydrophobicContact CD1-CG1 3.88Å; I204-V576 HydrophobicContact CD1-CG2 4.1Å; I204-V576 HydrophobicContact CG1-CG1 4.07Å
205A96.3Very high95.7Very high0 Ų018.4 Ų18.40%09%0.092CC..Hα-helixtrans-68.8-29.3-178.400000113.6V116 I120 L135 Y201 L202 D207 L208 Y211V116-A205 HydrophobicContact CG1-CB 3.58Å; I120-A205 HydrophobicContact CD1-CB 4.15Å; L135-A205 HydrophobicContact CD1-CB 4.49Å; Y201-A205 HydrophobicContact CD1-CB 4.36Å; Y201-A205 HydrophobicContact CE1-CB 4.23Å; Y201-A205 VanDerWaalsContact O-CB 3.3Å; Y201-A205 WeakPolarHBondContact O-CB 3.3Å; Y201-A205 PolarHBondContact O-N 3.47Å; L202-A205 PolarHBondContact O-N 3.33Å; A205-D207 PolarHBondContact O-N 3.39Å; A205-L208 HydrophobicContact CB-CD1 4.48Å; A205-L208 WeakPolarHBondContact O-CB 3.38Å; A205-L208 WeakPolarHBondContact O-CG 3.43Å; A205-L208 PolarHBondContact O-N 3.09Å; A205-Y211 HydrophobicContact CB-CD2 4.49Å; A205-Y211 VanDerWaalsContact O-CB 3.3Å; A205-Y211 WeakPolarHBondContact O-CB 3.37Å; A205-Y211 VanDerWaalsContact O-CD2 3.27Å; A205-Y211 WeakPolarHBondContact O-CD2 3.47Å
206Q94.8Very high95.9Very high4 Ų418 Ų182%0.0199%0.089CC..THydrogen-bonded Turntrans-63.1-24.9178.484.1-167-34.900113.2V99 L202 K203 I204 L208 Y211 K613 Y614V99-Q206 HydrophobicContact CG1-CB 4.2Å; L202-Q206 WeakPolarHBondContact O-CB 3.36Å; L202-Q206 PolarHBondContact O-N 2.98Å; K203-Q206 WeakPolarHBondContact O-CG 3.28Å; K203-Q206 PolarHBondContact O-NE2 3.45Å; I204-Q206 VanDerWaalsContact C-N 3.35Å; I204-Q206 PolarHBondContact O-N 3.46Å; Q206-L208 VanDerWaalsContact C-N 3.33Å; Q206-Y211 HydrophobicContact CB-CD1 4.05Å; Q206-Y211 HydrophobicContact CB-CE1 3.73Å; Q206-Y211 HydrophobicContact CB-CE2 4.3Å; Q206-Y211 HydrophobicContact CB-CG 4.49Å; Q206-K613 PolarHBondContact O-NZ 2.92Å; Q206-Y614 PolarHBondContact O-OH 2.9Å
207D91.7Very high96.1Very high39 Ų3919.5 Ų19.521%0.20910%0.102CC..THydrogen-bonded Turntrans-80.6-14.7-176.1-62.2-5.4000112.7I204 A205 H566 L570 K613 Y614I204-D207 PolarHBondContact O-N 2.88Å; A205-D207 PolarHBondContact O-N 3.39Å; D207-H566 IonicContact OD1-CE1 3.79Å; D207-H566 PolarHBondContact OD1-CE1 3.22Å; D207-H566 IonicContact OD1-NE2 3.17Å; D207-L570 WeakPolarHBondContact OD2-CD2 3.42Å; D207-K613 WeakPolarHBondContact O-CD 3.44Å; D207-Y614 HydrophobicContact CB-CE2 4.29Å; D207-Y614 PolarHBondContact OD1-OH 3.27Å
208L94.6Very high96.1Very high17 Ų1719.8 Ų19.89%0.08910%0.104CC..SBendtrans-65.2133.2176.7-58.8174.7000110.1I120 I125 C127 A205 Q206 M210 Y211 K613I120-L208 HydrophobicContact CD1-CD1 3.73Å; I120-L208 HydrophobicContact CG1-CD1 4.22Å; I125-L208 HydrophobicContact CG2-CB 4.09Å; I125-L208 HydrophobicContact CG2-CD1 3.78Å; C127-L208 HydrophobicContact CB-CD1 4.04Å; C127-L208 HydrophobicContact CB-CD2 4.49Å; A205-L208 HydrophobicContact CB-CD1 4.48Å; A205-L208 WeakPolarHBondContact O-CB 3.38Å; A205-L208 WeakPolarHBondContact O-CG 3.43Å; A205-L208 PolarHBondContact O-N 3.09Å; Q206-L208 VanDerWaalsContact C-N 3.33Å; L208-M210 PolarHBondContact O-N 2.95Å; L208-M210 VanDerWaalsContact O-N 3.11Å; L208-Y211 VanDerWaalsContact O-CB 3.29Å; L208-Y211 WeakPolarHBondContact O-CB 3.27Å; L208-Y211 PolarHBondContact O-N 2.94Å; L208-K613 PolarHBondContact O-NZ 2.79Å
209D95.3Very high96.1Very high26 Ų2620.9 Ų20.914%0.13911%0.111CC..THydrogen-bonded Turntrans-60.3-30.9-169.8-56.5-90.8000113.8L244 K613D209-L244 HydrophobicContact CB-CB 4.43Å; D209-L244 HydrophobicContact CB-CD2 4.44Å; D209-K613 VanDerWaalsContact OD1-CA 3.3Å; D209-K613 WeakPolarHBondContact OD1-CA 2.92Å; D209-K613 WeakPolarHBondContact OD1-CB 3.18Å; D209-K613 PolarHBondContact OD1-N 2.61Å
210M97.7Very high96.1Very high13 Ų1320 Ų206%0.06411%0.106CC..THydrogen-bonded Turntrans-84.6-11.4176.9-58.1-170.364.300114.4D124 I125 Y126 L208 G212 V213 Y215 K243 L244D124-M210 WeakPolarHBondContact O-CE 3.25Å; I125-M210 HydrophobicContact CG2-CB 4.27Å; Y126-M210 WeakPolarHBondContact CB-SD 3.16Å; L208-M210 PolarHBondContact O-N 2.95Å; L208-M210 VanDerWaalsContact O-N 3.11Å; M210-G212 PolarHBondContact O-N 3.41Å; M210-V213 PolarHBondContact O-N 2.94Å; M210-Y215 HydrophobicContact CB-CE2 4.29Å; M210-Y215 HydrophobicContact CE-CD2 4.33Å; M210-Y215 HydrophobicContact CE-CE2 3.67Å; M210-Y215 HydrophobicContact CG-CE2 4.4Å; M210-Y215 WeakPolarHBondContact CG-OH 3.37Å; M210-K243 HydrophobicContact CE-CB 4.38Å; M210-K243 HydrophobicContact CE-CD 4.25Å; M210-L244 HydrophobicContact CG-CD2 3.67Å; M210-L244 HydrophobicContact SD-CD2 3.89Å
211Y97.7Very high96.1Very high14 Ų1423.2 Ų23.26%0.05512%0.12CC..THydrogen-bonded Turntrans-62.8128.5-178.8172.4-80.6000111.7F95 V99 V116 I125 A205 Q206 L208 V213 K613F95-Y211 AromaticContact CD1-CE1 3.92Å; F95-Y211 HydrophobicContact CD1-CE1 3.92Å; F95-Y211 HydrophobicContact CD1-CE2 4.14Å; F95-Y211 AromaticContact CD1-CZ 3.65Å; F95-Y211 HydrophobicContact CE1-CE2 4.21Å; V99-Y211 WeakPolarHBondContact CG1-OH 3.31Å; V116-Y211 HydrophobicContact CG1-CD2 4.08Å; V116-Y211 HydrophobicContact CG1-CE2 4.04Å; V116-Y211 HydrophobicContact CG2-CD2 4.32Å; V116-Y211 HydrophobicContact CG2-CE2 3.72Å; I125-Y211 HydrophobicContact CD1-CD2 4.4Å; A205-Y211 HydrophobicContact CB-CD2 4.49Å; A205-Y211 VanDerWaalsContact O-CB 3.3Å; A205-Y211 WeakPolarHBondContact O-CB 3.37Å; A205-Y211 VanDerWaalsContact O-CD2 3.27Å; A205-Y211 WeakPolarHBondContact O-CD2 3.47Å; Q206-Y211 HydrophobicContact CB-CD1 4.05Å; Q206-Y211 HydrophobicContact CB-CE1 3.73Å; Q206-Y211 HydrophobicContact CB-CE2 4.3Å; Q206-Y211 HydrophobicContact CB-CG 4.49Å; L208-Y211 VanDerWaalsContact O-CB 3.29Å; L208-Y211 WeakPolarHBondContact O-CB 3.27Å; L208-Y211 PolarHBondContact O-N 2.94Å; Y211-V213 VanDerWaalsContact C-N 3.26Å; Y211-V213 PolarHBondContact O-N 2.87Å; Y211-K613 PolarHBondContact O-NZ 3.17Å; Y211-K613 VanDerWaalsContact O-NZ 3.16Å
212G97Very high96Very high7 Ų727.5 Ų27.57%0.07214%0.143CC..THydrogen-bonded Turntrans74.39.1177.900000114.9M210M210-G212 PolarHBondContact O-N 3.41Å
213V97.9Very high95.9Very high20 Ų2035.6 Ų35.612%0.12118%0.178CC..  trans-100.1115.8-175.7-170.40000111.2M210 Y211 Y215 T231 Y238M210-V213 PolarHBondContact O-N 2.94Å; Y211-V213 VanDerWaalsContact C-N 3.26Å; Y211-V213 PolarHBondContact O-N 2.87Å; V213-Y215 HydrophobicContact CB-CD2 4.19Å; V213-Y215 HydrophobicContact CB-CE2 3.56Å; V213-Y215 HydrophobicContact CG1-CD1 4.15Å; V213-Y215 HydrophobicContact CG1-CD2 3.94Å; V213-Y215 HydrophobicContact CG1-CE1 3.79Å; V213-Y215 HydrophobicContact CG1-CE2 3.56Å; V213-Y215 HydrophobicContact CG1-CG 4.22Å; V213-Y215 VanDerWaalsContact CG1-CZ 3.47Å; V213-Y215 WeakPolarHBondContact O-CD2 3.26Å; V213-T231 HydrophobicContact CB-CG2 4.31Å; V213-T231 HydrophobicContact CG1-CG2 4.08Å; V213-T231 HydrophobicContact CG2-CG2 3.92Å; V213-Y238 HydrophobicContact CG1-CE2 4.34Å
214N97.4Very high96Very high44 Ų4436.2 Ų36.224%0.23519%0.185CC..EExtended strand (participates in β ladder)trans-89.1106.9172.2-69.2-103.2000109.2F216 G229 V230 L293N214-F216 HydrophobicContact CB-CE2 3.75Å; N214-F216 HydrophobicContact CB-CZ 4.3Å; N214-F216 WeakPolarHBondContact O-CD2 3.49Å; N214-F216 WeakPolarHBondContact O-CE2 3.27Å; N214-G229 WeakPolarHBondContact O-CA 3.43Å; N214-V230 HydrophobicContact CB-CB 4.31Å; N214-V230 PolarHBondContact N-O 3.01Å; N214-V230 PolarHBondContact O-N 3.4Å; N214-L293 HydrophobicContact CB-CD1 3.95Å
215Y97.5Very high96.2Very high38 Ų3841.4 Ų41.415%0.14921%0.207CC..EExtended strand (participates in β ladder)trans-89.3128.9-174.8-67.9-89.7000113.4M210 V213 W227 L228 Y238 K243M210-Y215 HydrophobicContact CB-CE2 4.29Å; M210-Y215 HydrophobicContact CE-CD2 4.33Å; M210-Y215 HydrophobicContact CE-CE2 3.67Å; M210-Y215 HydrophobicContact CG-CE2 4.4Å; M210-Y215 WeakPolarHBondContact CG-OH 3.37Å; V213-Y215 HydrophobicContact CB-CD2 4.19Å; V213-Y215 HydrophobicContact CB-CE2 3.56Å; V213-Y215 HydrophobicContact CG1-CD1 4.15Å; V213-Y215 HydrophobicContact CG1-CD2 3.94Å; V213-Y215 HydrophobicContact CG1-CE1 3.79Å; V213-Y215 HydrophobicContact CG1-CE2 3.56Å; V213-Y215 HydrophobicContact CG1-CG 4.22Å; V213-Y215 VanDerWaalsContact CG1-CZ 3.47Å; V213-Y215 WeakPolarHBondContact O-CD2 3.26Å; Y215-W227 HydrophobicContact CD1-CB 4.26Å; Y215-L228 CarbonylContact C-O 3.51Å; Y215-L228 WeakPolarHBondContact CA-O 3.43Å; Y215-Y238 HydrophobicContact CD1-CD2 4.41Å; Y215-Y238 HydrophobicContact CD1-CE2 4.44Å; Y215-Y238 HydrophobicContact CE1-CD1 4.39Å; Y215-Y238 HydrophobicContact CE1-CD2 4.04Å; Y215-Y238 HydrophobicContact CE1-CE1 4.19Å; Y215-Y238 AromaticContact CE1-CE2 3.85Å; Y215-Y238 HydrophobicContact CE1-CE2 3.85Å; Y215-Y238 HydrophobicContact CE1-CG 4.32Å; Y215-Y238 AromaticContact CE1-CZ 3.93Å; Y215-K243 HydrophobicContact CD1-CB 4.39Å; Y215-K243 HydrophobicContact CD1-CD 3.91Å; Y215-K243 HydrophobicContact CD1-CG 4Å; Y215-K243 HydrophobicContact CE1-CB 3.74Å; Y215-K243 HydrophobicContact CE1-CD 4.07Å; Y215-K243 HydrophobicContact CE1-CG 3.85Å; Y215-K243 HydrophobicContact CG-CD 4.15Å; Y215-K243 PolarHBondContact OH-O 3.46Å
216F97.3Very high96.3Very high11 Ų1141.8 Ų41.85%0.04821%0.209CC..EExtended strand (participates in β ladder)trans-127.2134.2178.3-63.7-78.3000112.1N214 I218 W227 L228 V230 I286 M289 I290 L293N214-F216 HydrophobicContact CB-CE2 3.75Å; N214-F216 HydrophobicContact CB-CZ 4.3Å; N214-F216 WeakPolarHBondContact O-CD2 3.49Å; N214-F216 WeakPolarHBondContact O-CE2 3.27Å; F216-I218 PolarHBondContact O-N 3.21Å; F216-W227 CarbonylContact O-C 3.47Å; F216-W227 VanDerWaalsContact O-CA 3.3Å; F216-W227 WeakPolarHBondContact O-CA 3.36Å; F216-L228 HydrophobicContact CB-CB 4.38Å; F216-L228 PolarHBondContact N-O 3.02Å; F216-L228 PolarHBondContact O-N 3.29Å; F216-V230 HydrophobicContact CD2-CG2 4.01Å; F216-V230 HydrophobicContact CE2-CG2 3.93Å; F216-I286 HydrophobicContact CD1-CG2 3.71Å; F216-I286 HydrophobicContact CE1-CG2 4.31Å; F216-M289 HydrophobicContact CE1-CE 3.81Å; F216-M289 HydrophobicContact CE1-CG 4.39Å; F216-M289 HydrophobicContact CZ-CE 4.28Å; F216-M289 HydrophobicContact CZ-CG 4.24Å; F216-I290 HydrophobicContact CB-CD1 3.9Å; F216-I290 HydrophobicContact CB-CG1 4.14Å; F216-I290 HydrophobicContact CD1-CD1 4.02Å; F216-I290 HydrophobicContact CD1-CG1 3.62Å; F216-I290 HydrophobicContact CD2-CD1 4.37Å; F216-I290 HydrophobicContact CD2-CG1 3.66Å; F216-I290 HydrophobicContact CE1-CG1 3.87Å; F216-I290 HydrophobicContact CE2-CG1 3.91Å; F216-I290 HydrophobicContact CG-CD1 3.82Å; F216-I290 HydrophobicContact CG-CG1 3.5Å; F216-I290 HydrophobicContact CZ-CG1 4.02Å; F216-L293 HydrophobicContact CE2-CD1 3.86Å; F216-L293 HydrophobicContact CZ-CD1 3.58Å
217P97.2Very high96.4Very high67 Ų6744.5 Ų44.544%0.43522%0.22SC..EExtended strand (participates in β ladder)trans-74.2124.2175.430.8-32.7000110.1W227P217-W227 HydrophobicContact CB-CE3 4.36Å; P217-W227 HydrophobicContact CB-CZ3 4.21Å; P217-W227 HydrophobicContact CG-CZ3 4.43Å
218I97.5Very high96.7Very high6 Ų642.7 Ų42.73%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-132.5168.6-178.861.8153.8000111.3F216 L226 L228 I237 F279 Y280 F632F216-I218 PolarHBondContact O-N 3.21Å; I218-L226 HydrophobicContact CD1-CB 4.31Å; I218-L226 HydrophobicContact CG1-CB 4.03Å; I218-L226 WeakPolarHBondContact CG1-O 3.48Å; I218-L226 PolarHBondContact N-O 3Å; I218-L226 PolarHBondContact O-N 2.74Å; I218-L226 VanDerWaalsContact O-O 3.06Å; I218-L228 HydrophobicContact CD1-CB 4.01Å; I218-L228 HydrophobicContact CG1-CB 4.17Å; I218-L228 HydrophobicContact CG2-CB 3.86Å; I218-I237 HydrophobicContact CD1-CD1 4.11Å; I218-F279 HydrophobicContact CB-CD2 3.84Å; I218-F279 HydrophobicContact CB-CG 4.48Å; I218-F279 HydrophobicContact CD1-CB 3.91Å; I218-F279 HydrophobicContact CD1-CD2 4.2Å; I218-F279 HydrophobicContact CD1-CG 4.06Å; I218-F279 HydrophobicContact CG2-CD2 3.46Å; I218-F279 VanDerWaalsContact CG2-CD2 3.46Å; I218-F279 HydrophobicContact CG2-CE2 3.65Å; I218-F279 HydrophobicContact CG2-CG 4.4Å; I218-Y280 CarbonylContact C-O 3.54Å; I218-Y280 VanDerWaalsContact CA-O 3.26Å; I218-Y280 WeakPolarHBondContact CA-O 3.31Å; I218-F632 HydrophobicContact CD1-CE2 4.19Å; I218-F632 HydrophobicContact CD1-CZ 4.44Å
219T97.4Very high96.9Very high29 Ų2941.9 Ų41.918%0.17821%0.205CC..EExtended strand (participates in β ladder)trans-130.1151.5162.469.40000112.2T224 F279 Y280T219-T224 WeakPolarHBondContact CA-O 3.45Å; T219-T224 WeakPolarHBondContact CB-O 3.45Å; T219-F279 CarbonylContact O-C 3.52Å; T219-F279 WeakPolarHBondContact O-CA 3.19Å; T219-Y280 PolarHBondContact N-O 2.79Å; T219-Y280 PolarHBondContact O-N 2.62Å
220N95.6Very high97Very high1 Ų140.6 Ų40.61%0.00520%0.199CC..  trans-81.8-170.416772-0.1000111.5N222 K223 T224 L226 F632 L635N220-N222 VanDerWaalsContact C-N 3.31Å; N220-N222 PolarHBondContact O-N 3.17Å; N220-N222 WeakPolarHBondContact OD1-CA 3.49Å; N220-N222 WeakPolarHBondContact OD1-CB 3.31Å; N220-N222 PolarHBondContact OD1-N 2.8Å; N220-K223 PolarHBondContact O-N 3.03Å; N220-K223 PolarHBondContact OD1-N 2.81Å; N220-T224 PolarHBondContact N-O 3.34Å; N220-T224 PolarHBondContact OD1-N 2.79Å; N220-T224 VanDerWaalsContact OD1-N 3.09Å; N220-L226 HydrophobicContact CB-CD1 4.4Å; N220-F632 HydrophobicContact CB-CD1 4.23Å; N220-F632 HydrophobicContact CB-CE1 3.43Å; N220-F632 VanDerWaalsContact CB-CE1 3.43Å; N220-F632 HydrophobicContact CB-CE2 4.09Å; N220-F632 HydrophobicContact CB-CZ 3.35Å; N220-F632 PolarHBondContact ND2-O 2.93Å; N220-L635 PolarHBondContact ND2-OXT 2.94Å
221K94Very high97Very high98 Ų9840.6 Ų40.643%0.42620%0.2SC..THydrogen-bonded Turntrans-65-31177.3-66.9-172.7-166.283.50113.7K223 Y280 E633K221-K223 PolarHBondContact O-N 3.48Å; K221-Y280 HydrophobicContact CG-CE2 4.13Å; K221-E633 WeakPolarHBondContact CD-OE2 3.44Å; K221-E633 VanDerWaalsContact CG-OE2 3.23Å; K221-E633 WeakPolarHBondContact CG-OE2 3.4Å; K221-E633 IonicContact NZ-OE1 3.39Å; K221-E633 PolarHBondContact NZ-OE1 2.8Å; K221-E633 IonicContact NZ-OE2 3.91Å; K221-E633 PolarHBondContact NZ-OE2 3.42Å
222N94Very high96.9Very high97 Ų9740.5 Ų40.552%0.51920%0.201SC..THydrogen-bonded Turntrans-72.2-9.7176.7-56.5-24.3000112.5N220 T224 E633 L635N220-N222 VanDerWaalsContact C-N 3.31Å; N220-N222 PolarHBondContact O-N 3.17Å; N220-N222 WeakPolarHBondContact OD1-CA 3.49Å; N220-N222 WeakPolarHBondContact OD1-CB 3.31Å; N220-N222 PolarHBondContact OD1-N 2.8Å; N222-T224 VanDerWaalsContact C-N 3.25Å; N222-E633 PolarHBondContact ND2-O 3.13Å; N222-L635 PolarHBondContact ND2-OXT 2.97Å
223K94.6Very high96.8Very high170 Ų17042.1 Ų42.174%0.73921%0.209SC*.  trans69.716.6-171.5-49.7173.9-175.1171.60113.7N220 K221 K225N220-K223 PolarHBondContact O-N 3.03Å; N220-K223 PolarHBondContact OD1-N 2.81Å; K221-K223 PolarHBondContact O-N 3.48Å; K223-K225 PolarHBondContact O-N 3.21Å
224T97Very high96.6Very high49 Ų4941.2 Ų41.230%0.30120%0.204SC..  trans-60130.1167.4-60.60000108.8T219 N220 N222 L226 L635T219-T224 WeakPolarHBondContact CA-O 3.45Å; T219-T224 WeakPolarHBondContact CB-O 3.45Å; N220-T224 PolarHBondContact N-O 3.34Å; N220-T224 PolarHBondContact OD1-N 2.79Å; N220-T224 VanDerWaalsContact OD1-N 3.09Å; N222-T224 VanDerWaalsContact C-N 3.25Å; T224-L226 HydrophobicContact CG2-CD2 4.1Å; T224-L226 HydrophobicContact CG2-CG 4.2Å; T224-L635 VanDerWaalsContact CB-O 3.24Å; T224-L635 WeakPolarHBondContact CB-O 3.43Å; T224-L635 WeakPolarHBondContact CG2-O 3.33Å; T224-L635 VanDerWaalsContact OG1-C 3.25Å; T224-L635 PolarHBondContact OG1-O 2.8Å; T224-L635 PolarHBondContact OG1-OXT 3.17Å
225K97.5Very high96.6Very high119 Ų11939.1 Ų39.152%0.51719%0.193SC..EExtended strand (participates in β ladder)trans-78.3130176.6-62.7175.1179.2173.50110K223 E240K223-K225 PolarHBondContact O-N 3.21Å; K225-E240 HydrophobicContact CB-CB 4.31Å; K225-E240 HydrophobicContact CD-CG 4.45Å; K225-E240 WeakPolarHBondContact CD-OE1 3.48Å; K225-E240 WeakPolarHBondContact CD-OE2 3.5Å; K225-E240 WeakPolarHBondContact CE-OE1 3.4Å; K225-E240 IonicContact NZ-OE1 3.73Å; K225-E240 PolarHBondContact NZ-OE1 3.11Å; K225-E240 IonicContact NZ-OE2 2.84Å; K225-E240 PolarHBondContact NZ-OE2 2.88Å
226L97.9Very high96.6Very high9 Ų937.7 Ų37.75%0.04719%0.188CC..EExtended strand (participates in β ladder)trans-140.9164.7-177.7-61.6169.5000108.7I218 N220 T224 I237 Y238 F632 L635I218-L226 HydrophobicContact CD1-CB 4.31Å; I218-L226 HydrophobicContact CG1-CB 4.03Å; I218-L226 WeakPolarHBondContact CG1-O 3.48Å; I218-L226 PolarHBondContact N-O 3Å; I218-L226 PolarHBondContact O-N 2.74Å; I218-L226 VanDerWaalsContact O-O 3.06Å; N220-L226 HydrophobicContact CB-CD1 4.4Å; T224-L226 HydrophobicContact CG2-CD2 4.1Å; T224-L226 HydrophobicContact CG2-CG 4.2Å; L226-I237 HydrophobicContact CB-CG2 4.06Å; L226-I237 HydrophobicContact CD1-CG2 3.97Å; L226-I237 HydrophobicContact CG-CG2 4.43Å; L226-Y238 CarbonylContact C-O 3.58Å; L226-Y238 VanDerWaalsContact CA-O 3.32Å; L226-Y238 WeakPolarHBondContact CA-O 3.44Å; L226-Y238 WeakPolarHBondContact CB-O 3.45Å; L226-Y238 WeakPolarHBondContact CD2-O 3.41Å; L226-F632 HydrophobicContact CD1-CD2 4.04Å; L226-F632 HydrophobicContact CD1-CE2 3.56Å; L226-F632 HydrophobicContact CD1-CZ 4.35Å; L226-L635 HydrophobicContact CD1-CB 4.28Å; L226-L635 HydrophobicContact CD1-CD1 3.82Å; L226-L635 HydrophobicContact CD2-CD1 3.95Å
227W98.1Very high96.7Very high61 Ų6137.2 Ų37.223%0.23119%0.185CC..EExtended strand (participates in β ladder)trans-106136.8164.9-58.485.3000110.7Y215 F216 P217 I237 Y238 E240 K243Y215-W227 HydrophobicContact CD1-CB 4.26Å; F216-W227 CarbonylContact O-C 3.47Å; F216-W227 VanDerWaalsContact O-CA 3.3Å; F216-W227 WeakPolarHBondContact O-CA 3.36Å; P217-W227 HydrophobicContact CB-CE3 4.36Å; P217-W227 HydrophobicContact CB-CZ3 4.21Å; P217-W227 HydrophobicContact CG-CZ3 4.43Å; W227-I237 WeakPolarHBondContact O-CA 3.48Å; W227-Y238 PolarHBondContact N-O 3.4Å; W227-Y238 PolarHBondContact O-N 3.36Å; W227-E240 PolarHBondContact NE1-O 2.88Å; W227-E240 VanDerWaalsContact NE1-O 3.11Å; W227-K243 VanDerWaalsContact CZ2-CE 3.47Å
228L98.2Very high96.7Very high0 Ų034.1 Ų34.10%017%0.165CC..EExtended strand (participates in β ladder)trans-91.7122.1164175.371.5000108.3Y215 F216 I218 V230 L235 I237 F279 I290Y215-L228 CarbonylContact C-O 3.51Å; Y215-L228 WeakPolarHBondContact CA-O 3.43Å; F216-L228 HydrophobicContact CB-CB 4.38Å; F216-L228 PolarHBondContact N-O 3.02Å; F216-L228 PolarHBondContact O-N 3.29Å; I218-L228 HydrophobicContact CD1-CB 4.01Å; I218-L228 HydrophobicContact CG1-CB 4.17Å; I218-L228 HydrophobicContact CG2-CB 3.86Å; L228-V230 HydrophobicContact CD2-CG2 4.14Å; L228-V230 HydrophobicContact CG-CG2 4.24Å; L228-L235 HydrophobicContact CD1-CB 4.16Å; L228-L235 HydrophobicContact CD1-CD1 4.5Å; L228-L235 HydrophobicContact CD1-CD2 4.21Å; L228-I237 HydrophobicContact CD1-CD1 3.6Å; L228-F279 HydrophobicContact CD2-CE1 4.08Å; L228-F279 HydrophobicContact CD2-CE2 3.98Å; L228-F279 HydrophobicContact CD2-CZ 3.52Å; L228-I290 HydrophobicContact CD2-CG2 3.98Å
229G98.3Very high96.7Very high0 Ų037.1 Ų37.10%018%0.181CC..EExtended strand (participates in β ladder)trans-99.9115.8167.300000110.8N214 N236N214-G229 WeakPolarHBondContact O-CA 3.43Å; G229-N236 PolarHBondContact N-O 2.94Å; G229-N236 PolarHBondContact O-N 3.49Å
230V98.1Very high96.6Very high0 Ų039.9 Ų39.90%019%0.192CC..EExtended strand (participates in β ladder)trans-90.5124172-171.60000108.8N214 F216 L228 L235 W252 L293N214-V230 HydrophobicContact CB-CB 4.31Å; N214-V230 PolarHBondContact N-O 3.01Å; N214-V230 PolarHBondContact O-N 3.4Å; F216-V230 HydrophobicContact CD2-CG2 4.01Å; F216-V230 HydrophobicContact CE2-CG2 3.93Å; L228-V230 HydrophobicContact CD2-CG2 4.14Å; L228-V230 HydrophobicContact CG-CG2 4.24Å; V230-L235 HydrophobicContact CB-CD2 4.1Å; V230-L235 HydrophobicContact CG1-CD2 3.92Å; V230-L235 HydrophobicContact CG2-CD2 3.82Å; V230-W252 HydrophobicContact CG1-CH2 4.26Å; V230-W252 HydrophobicContact CG1-CZ2 4.01Å; V230-L293 HydrophobicContact CG1-CB 4Å
231T97.4Very high96.6Very high13 Ų1348.9 Ų48.98%0.0823%0.226CC..  trans-132.1170.6-17275.50000112.4V213 V233 G234 W252 N297V213-T231 HydrophobicContact CB-CG2 4.31Å; V213-T231 HydrophobicContact CG1-CG2 4.08Å; V213-T231 HydrophobicContact CG2-CG2 3.92Å; T231-V233 PolarHBondContact O-N 3.34Å; T231-V233 PolarHBondContact OG1-N 2.99Å; T231-G234 PolarHBondContact N-O 3.49Å; T231-G234 PolarHBondContact OG1-N 3.26Å; T231-G234 PolarHBondContact OG1-O 3.38Å; T231-W252 PolarHBondContact O-NE1 3.04Å; T231-N297 WeakPolarHBondContact O-CB 3.44Å; T231-N297 PolarHBondContact O-OD1 2.7Å
232S95.8Very high96.7Very high12 Ų1244.8 Ų44.88%0.08421%0.209CC..SBendtrans-64.9-23.3174.353.30000114F95 P96 N297 R304F95-S232 WeakPolarHBondContact O-CB 3.27Å; P96-S232 PolarHBondContact O-OG 3.26Å; S232-N297 WeakPolarHBondContact CA-OD1 3.23Å; S232-R304 PolarHBondContact O-NH1 2.58Å
233V93.2Very high96.8Very high40 Ų4042.7 Ų42.724%0.24220%0.195CC..SBendtrans-97.7-30.3-177.6-179.70000113.1E97 T231 W252E97-V233 HydrophobicContact CG-CG2 3.89Å; T231-V233 PolarHBondContact O-N 3.34Å; T231-V233 PolarHBondContact OG1-N 2.99Å; V233-W252 VanDerWaalsContact O-CD1 3.29Å; V233-W252 PolarHBondContact O-N 3.49Å
234G95.1Very high96.9Very high1 Ų134.6 Ų34.61%0.0116%0.16CC..EExtended strand (participates in β ladder)trans171.1-158-176.800000114.4T231 F250T231-G234 PolarHBondContact N-O 3.49Å; T231-G234 PolarHBondContact OG1-N 3.26Å; T231-G234 PolarHBondContact OG1-O 3.38Å; G234-F250 CarbonylContact C-O 3.59Å; G234-F250 WeakPolarHBondContact CA-O 3.5Å
235L97.3Very high96.8Very high0 Ų033.4 Ų33.40%015%0.153CC..EExtended strand (participates in β ladder)trans-108.1126.1176.2-63.3-178.4000110.7L228 V230 T249 F250 W252 I255 I267L228-L235 HydrophobicContact CD1-CB 4.16Å; L228-L235 HydrophobicContact CD1-CD1 4.5Å; L228-L235 HydrophobicContact CD1-CD2 4.21Å; V230-L235 HydrophobicContact CB-CD2 4.1Å; V230-L235 HydrophobicContact CG1-CD2 3.92Å; V230-L235 HydrophobicContact CG2-CD2 3.82Å; L235-T249 CarbonylContact O-C 3.57Å; L235-T249 VanDerWaalsContact O-CA 3.3Å; L235-T249 WeakPolarHBondContact O-CA 3.32Å; L235-T249 PolarHBondContact O-OG1 3.38Å; L235-F250 PolarHBondContact N-O 2.79Å; L235-F250 PolarHBondContact O-N 2.91Å; L235-W252 HydrophobicContact CD1-CH2 4.3Å; L235-W252 HydrophobicContact CD1-CZ3 4.34Å; L235-W252 HydrophobicContact CD2-CH2 3.49Å; L235-W252 VanDerWaalsContact CD2-CH2 3.49Å; L235-W252 HydrophobicContact CD2-CZ2 3.95Å; L235-W252 HydrophobicContact CD2-CZ3 4.31Å; L235-W252 HydrophobicContact CG-CH2 3.72Å; L235-W252 HydrophobicContact CG-CZ2 4.31Å; L235-W252 HydrophobicContact CG-CZ3 4.07Å; L235-I255 HydrophobicContact CD1-CD1 3.8Å; L235-I255 HydrophobicContact CG-CD1 4.05Å; L235-I267 HydrophobicContact CD1-CD1 3.42Å; L235-I267 VanDerWaalsContact CD1-CD1 3.42Å
236N97.7Very high96.8Very high9 Ų928.3 Ų28.35%0.04813%0.131CC..EExtended strand (participates in β ladder)trans-109.9146.3177.1-72.4-12.3000110.5G229 Y238 P246 T249G229-N236 PolarHBondContact N-O 2.94Å; G229-N236 PolarHBondContact O-N 3.49Å; N236-Y238 HydrophobicContact CB-CD2 4.24Å; N236-Y238 HydrophobicContact CB-CE2 3.36Å; N236-Y238 PolarHBondContact ND2-OH 3.08Å; N236-P246 HydrophobicContact CB-CB 4.07Å; N236-T249 WeakPolarHBondContact OD1-CB 3.36Å; N236-T249 PolarHBondContact OD1-OG1 3.2Å
237I98Very high96.7Very high0 Ų031 Ų310%014%0.143CC..EExtended strand (participates in β ladder)trans-117135.1173.3-47.9-62.9000110.1I218 L226 W227 L228 P246 K247 T248 F277 F632I218-I237 HydrophobicContact CD1-CD1 4.11Å; L226-I237 HydrophobicContact CB-CG2 4.06Å; L226-I237 HydrophobicContact CD1-CG2 3.97Å; L226-I237 HydrophobicContact CG-CG2 4.43Å; W227-I237 WeakPolarHBondContact O-CA 3.48Å; L228-I237 HydrophobicContact CD1-CD1 3.6Å; I237-P246 CarbonylContact O-C 3.51Å; I237-P246 WeakPolarHBondContact O-CA 3.44Å; I237-K247 PolarHBondContact O-N 3.26Å; I237-T248 HydrophobicContact CB-CG2 3.8Å; I237-T248 HydrophobicContact CG1-CG2 3.82Å; I237-T248 PolarHBondContact N-O 3.18Å; I237-T248 PolarHBondContact O-N 3.12Å; I237-F277 HydrophobicContact CD1-CE1 4.4Å; I237-F277 HydrophobicContact CD1-CE2 4.45Å; I237-F277 HydrophobicContact CD1-CZ 3.63Å; I237-F277 HydrophobicContact CG1-CZ 4.22Å; I237-F632 HydrophobicContact CB-CD2 4.46Å; I237-F632 HydrophobicContact CD1-CE2 4.35Å; I237-F632 HydrophobicContact CG1-CD2 4.06Å; I237-F632 HydrophobicContact CG1-CE2 4.35Å; I237-F632 HydrophobicContact CG2-CD2 3.92Å; I237-F632 HydrophobicContact CG2-CE2 3.96Å
238Y98Very high96.5Very high3 Ų328.2 Ų28.21%0.01213%0.133CC..EExtended strand (participates in β ladder)trans-128.4156.7-174.6-58.1-100.6000110.9V213 Y215 L226 W227 N236 D242 K243 P246V213-Y238 HydrophobicContact CG1-CE2 4.34Å; Y215-Y238 HydrophobicContact CD1-CD2 4.41Å; Y215-Y238 HydrophobicContact CD1-CE2 4.44Å; Y215-Y238 HydrophobicContact CE1-CD1 4.39Å; Y215-Y238 HydrophobicContact CE1-CD2 4.04Å; Y215-Y238 HydrophobicContact CE1-CE1 4.19Å; Y215-Y238 AromaticContact CE1-CE2 3.85Å; Y215-Y238 HydrophobicContact CE1-CE2 3.85Å; Y215-Y238 HydrophobicContact CE1-CG 4.32Å; Y215-Y238 AromaticContact CE1-CZ 3.93Å; L226-Y238 CarbonylContact C-O 3.58Å; L226-Y238 VanDerWaalsContact CA-O 3.32Å; L226-Y238 WeakPolarHBondContact CA-O 3.44Å; L226-Y238 WeakPolarHBondContact CB-O 3.45Å; L226-Y238 WeakPolarHBondContact CD2-O 3.41Å; W227-Y238 PolarHBondContact N-O 3.4Å; W227-Y238 PolarHBondContact O-N 3.36Å; N236-Y238 HydrophobicContact CB-CD2 4.24Å; N236-Y238 HydrophobicContact CB-CE2 3.36Å; N236-Y238 PolarHBondContact ND2-OH 3.08Å; Y238-D242 WeakPolarHBondContact CB-O 3.38Å; Y238-K243 WeakPolarHBondContact CD1-O 3.31Å; Y238-K243 WeakPolarHBondContact CE1-O 3.24Å; Y238-P246 HydrophobicContact CD1-CB 4.13Å; Y238-P246 HydrophobicContact CE1-CB 3.81Å; Y238-P246 HydrophobicContact CE1-CG 4.17Å; Y238-P246 HydrophobicContact CE2-CB 4.48Å
239D96.6Very high96.4Very high68 Ų6828.4 Ų28.436%0.36413%0.134SC..EExtended strand (participates in β ladder)trans-69.5152.3171.6-173.4-54.3000110.4R241 D242D239-R241 PolarHBondContact O-N 3.32Å; D239-R241 PolarHBondContact OD1-N 2.98Å; D239-D242 HydrophobicContact CB-CB 4.23Å; D239-D242 PolarHBondContact O-N 3.43Å
240E95.9Very high96.2Very high88 Ų8828.4 Ų28.441%0.41113%0.134SC..THydrogen-bonded Turntrans-48.2-33.4173.5-177.7174.2-148.300112.2K225 W227K225-E240 HydrophobicContact CB-CB 4.31Å; K225-E240 HydrophobicContact CD-CG 4.45Å; K225-E240 WeakPolarHBondContact CD-OE1 3.48Å; K225-E240 WeakPolarHBondContact CD-OE2 3.5Å; K225-E240 WeakPolarHBondContact CE-OE1 3.4Å; K225-E240 IonicContact NZ-OE1 3.73Å; K225-E240 PolarHBondContact NZ-OE1 3.11Å; K225-E240 IonicContact NZ-OE2 2.84Å; K225-E240 PolarHBondContact NZ-OE2 2.88Å; W227-E240 PolarHBondContact NE1-O 2.88Å; W227-E240 VanDerWaalsContact NE1-O 3.11Å
241R95.7Very high96Very high190 Ų19029.7 Ų29.772%0.71714%0.14SC*.THydrogen-bonded Turntrans-103.9-4.8-172.9-57-174.8-177.6-1640.7116.3D239 N598D239-R241 PolarHBondContact O-N 3.32Å; D239-R241 PolarHBondContact OD1-N 2.98Å; R241-N598 PolarHBondContact O-ND2 3.11Å
242D96.4Very high95.8Very high11 Ų1129 Ų296%0.05914%0.136CC..BIsolated β-bridgetrans-136.592.3-174.2173.114.6000110.9Y238 D239 L244 T245 K247 L602Y238-D242 WeakPolarHBondContact CB-O 3.38Å; D239-D242 HydrophobicContact CB-CB 4.23Å; D239-D242 PolarHBondContact O-N 3.43Å; D242-L244 PolarHBondContact OD1-N 3.01Å; D242-L244 VanDerWaalsContact OD1-N 3.13Å; D242-T245 PolarHBondContact OD1-N 3.09Å; D242-T245 PolarHBondContact OD1-OG1 3.08Å; D242-T245 WeakPolarHBondContact OD2-CB 3.34Å; D242-T245 PolarHBondContact OD2-OG1 3.39Å; D242-K247 IonicContact OD2-NZ 2.73Å; D242-K247 PolarHBondContact OD2-NZ 3.14Å; D242-L602 HydrophobicContact CB-CD1 3.85Å; D242-L602 HydrophobicContact CB-CD2 4.25Å
243K96.5Very high95.6Very high53 Ų5330.2 Ų30.223%0.2314%0.141CC..SBendtrans-83.3-7.8175.9-74.4-171.1175.4-175.40114.1M210 Y215 W227 Y238M210-K243 HydrophobicContact CE-CB 4.38Å; M210-K243 HydrophobicContact CE-CD 4.25Å; Y215-K243 HydrophobicContact CD1-CB 4.39Å; Y215-K243 HydrophobicContact CD1-CD 3.91Å; Y215-K243 HydrophobicContact CD1-CG 4Å; Y215-K243 HydrophobicContact CE1-CB 3.74Å; Y215-K243 HydrophobicContact CE1-CD 4.07Å; Y215-K243 HydrophobicContact CE1-CG 3.85Å; Y215-K243 HydrophobicContact CG-CD 4.15Å; Y215-K243 PolarHBondContact OH-O 3.46Å; W227-K243 VanDerWaalsContact CZ2-CE 3.47Å; Y238-K243 WeakPolarHBondContact CD1-O 3.31Å; Y238-K243 WeakPolarHBondContact CE1-O 3.24Å
244L95.8Very high95.5Very high1 Ų129.3 Ų29.31%0.00513%0.134CC..SBendtrans-85.9-47.8-179.6-56.1-173.9000110.5Y126 D209 M210 D242 P246 L599 L602Y126-L244 HydrophobicContact CD1-CD1 4.11Å; Y126-L244 HydrophobicContact CD1-CD2 3.98Å; Y126-L244 HydrophobicContact CE1-CD1 4.32Å; Y126-L244 HydrophobicContact CG-CD2 4.29Å; D209-L244 HydrophobicContact CB-CB 4.43Å; D209-L244 HydrophobicContact CB-CD2 4.44Å; M210-L244 HydrophobicContact CG-CD2 3.67Å; M210-L244 HydrophobicContact SD-CD2 3.89Å; D242-L244 PolarHBondContact OD1-N 3.01Å; D242-L244 VanDerWaalsContact OD1-N 3.13Å; L244-P246 WeakPolarHBondContact O-CD 3.45Å; L244-L599 HydrophobicContact CD1-CB 4.44Å; L244-L599 HydrophobicContact CD1-CD2 4.47Å; L244-L599 WeakPolarHBondContact CD1-O 3.48Å; L244-L599 HydrophobicContact CD2-CD2 4.23Å; L244-L599 HydrophobicContact CG-CD2 4.04Å; L244-L602 HydrophobicContact CD1-CB 3.99Å
245T96.1Very high95.3Very high24 Ų2429.2 Ų29.215%0.14713%0.134CC..SBendtrans-100.9104.3-173.2-31.70000111.2D242 Q606 T616D242-T245 PolarHBondContact OD1-N 3.09Å; D242-T245 PolarHBondContact OD1-OG1 3.08Å; D242-T245 WeakPolarHBondContact OD2-CB 3.34Å; D242-T245 PolarHBondContact OD2-OG1 3.39Å; T245-Q606 PolarHBondContact OG1-NE2 2.75Å; T245-T616 HydrophobicContact CG2-CG2 3.9Å
246P96.6Very high94.9Very high11 Ų1134.6 Ų34.67%0.07115%0.154CC..  trans-62142.3171.524-29.9000110.5N236 I237 Y238 L244 T616 L617 L620N236-P246 HydrophobicContact CB-CB 4.07Å; I237-P246 CarbonylContact O-C 3.51Å; I237-P246 WeakPolarHBondContact O-CA 3.44Å; Y238-P246 HydrophobicContact CD1-CB 4.13Å; Y238-P246 HydrophobicContact CE1-CB 3.81Å; Y238-P246 HydrophobicContact CE1-CG 4.17Å; Y238-P246 HydrophobicContact CE2-CB 4.48Å; L244-P246 WeakPolarHBondContact O-CD 3.45Å; P246-T616 HydrophobicContact CG-CG2 4.2Å; P246-L617 HydrophobicContact CG-CD2 4.3Å; P246-L620 HydrophobicContact CB-CD1 3.84Å; P246-L620 HydrophobicContact CG-CD1 3.72Å; P246-L620 WeakPolarHBondContact O-CD1 3.12Å
247K95.3Very high94.5Very high66 Ų6634.6 Ų34.629%0.28715%0.154SC..SBendtrans-90.2-27.1175.9-50.4-50.6-172.5-160.50111.9I237 D242 L620 F631I237-K247 PolarHBondContact O-N 3.26Å; D242-K247 IonicContact OD2-NZ 2.73Å; D242-K247 PolarHBondContact OD2-NZ 3.14Å; K247-L620 VanDerWaalsContact O-CD2 3.31Å; K247-L620 WeakPolarHBondContact O-CD2 3.43Å; K247-F631 HydrophobicContact CB-CE1 4Å; K247-F631 HydrophobicContact CB-CZ 4.4Å; K247-F631 VanDerWaalsContact O-CE1 3.27Å; K247-F631 WeakPolarHBondContact O-CE1 3.09Å
248T95.5Very high94.2Very high3 Ų334.6 Ų34.62%0.01815%0.154CC..EExtended strand (participates in β ladder)trans-154.8163.9171-173.40000110.8I237 F250 R628 F631 F632I237-T248 HydrophobicContact CB-CG2 3.8Å; I237-T248 HydrophobicContact CG1-CG2 3.82Å; I237-T248 PolarHBondContact N-O 3.18Å; I237-T248 PolarHBondContact O-N 3.12Å; T248-F250 HydrophobicContact CG2-CE2 4.38Å; T248-R628 WeakPolarHBondContact OG1-CB 3.27Å; T248-R628 WeakPolarHBondContact OG1-CG 3.33Å; T248-F631 HydrophobicContact CG2-CD1 4.35Å; T248-F632 HydrophobicContact CG2-CB 4.41Å
249T95.7Very high94Very high3 Ų335.4 Ų35.42%0.01816%0.159CC..EExtended strand (participates in β ladder)trans-142.6151.4-177.6-170.30000111L235 N236 L620 K621 R628L235-T249 CarbonylContact O-C 3.57Å; L235-T249 VanDerWaalsContact O-CA 3.3Å; L235-T249 WeakPolarHBondContact O-CA 3.32Å; L235-T249 PolarHBondContact O-OG1 3.38Å; N236-T249 WeakPolarHBondContact OD1-CB 3.36Å; N236-T249 PolarHBondContact OD1-OG1 3.2Å; T249-L620 HydrophobicContact CG2-CB 3.74Å; T249-K621 HydrophobicContact CG2-CG 4.24Å; T249-R628 WeakPolarHBondContact O-CD 3.2Å; T249-R628 PolarHBondContact O-NH1 2.8Å
250F94.4Very high93.9Very high0 Ų033.3 Ų33.30%015%0.147CC..EExtended strand (participates in β ladder)trans-132.8116.4171.9-58.2-77.2000108.5G234 L235 T248 E254 I255 F277 T625 R628 V629G234-F250 CarbonylContact C-O 3.59Å; G234-F250 WeakPolarHBondContact CA-O 3.5Å; L235-F250 PolarHBondContact N-O 2.79Å; L235-F250 PolarHBondContact O-N 2.91Å; T248-F250 HydrophobicContact CG2-CE2 4.38Å; F250-E254 WeakPolarHBondContact CA-OE2 3.34Å; F250-I255 HydrophobicContact CB-CD1 4.36Å; F250-F277 AromaticContact CD2-CD1 3.97Å; F250-F277 HydrophobicContact CD2-CD1 3.97Å; F250-F277 AromaticContact CD2-CE1 3.93Å; F250-F277 HydrophobicContact CD2-CE1 3.93Å; F250-F277 HydrophobicContact CD2-CZ 4.43Å; F250-F277 AromaticContact CE2-CD1 3.93Å; F250-F277 HydrophobicContact CE2-CD1 3.93Å; F250-F277 HydrophobicContact CE2-CD2 4.1Å; F250-F277 AromaticContact CE2-CE1 3.93Å; F250-F277 HydrophobicContact CE2-CE1 3.93Å; F250-F277 HydrophobicContact CE2-CE2 4.1Å; F250-F277 HydrophobicContact CE2-CG 4.06Å; F250-F277 HydrophobicContact CE2-CZ 4.05Å; F250-F277 HydrophobicContact CZ-CD2 4.39Å; F250-F277 HydrophobicContact CZ-CG 4.35Å; F250-T625 HydrophobicContact CD1-CG2 3.95Å; F250-T625 HydrophobicContact CE1-CG2 4.2Å; F250-R628 HydrophobicContact CE1-CB 3.76Å; F250-R628 HydrophobicContact CZ-CB 4.14Å; F250-V629 HydrophobicContact CE1-CG2 3.69Å; F250-V629 HydrophobicContact CZ-CG2 3.94Å
251Q93.2Very high93.8Very high27 Ų2735.2 Ų35.213%0.12616%0.16CC..EExtended strand (participates in β ladder)trans-75.5154.4-178.4-66.1-175.8-114.100111.1N253 E254 K621Q251-N253 WeakPolarHBondContact CB-OD1 3.24Å; Q251-N253 PolarHBondContact O-N 2.7Å; Q251-E254 HydrophobicContact CB-CG 4.33Å; Q251-E254 PolarHBondContact N-OE2 2.85Å; Q251-E254 WeakPolarHBondContact O-CB 3.48Å; Q251-E254 PolarHBondContact O-N 3.4Å; Q251-K621 VanDerWaalsContact CD-CE 3.47Å; Q251-K621 VanDerWaalsContact OE1-CD 3.22Å
252W93.9Very high93.7Very high0 Ų031 Ų310%015%0.152CC..G310 helixtrans-60.2-27.7-179.3-71.3125.1000113.8V230 T231 V233 L235 E254 I255 C294 N297 H298 Y301V230-W252 HydrophobicContact CG1-CH2 4.26Å; V230-W252 HydrophobicContact CG1-CZ2 4.01Å; T231-W252 PolarHBondContact O-NE1 3.04Å; V233-W252 VanDerWaalsContact O-CD1 3.29Å; V233-W252 PolarHBondContact O-N 3.49Å; L235-W252 HydrophobicContact CD1-CH2 4.3Å; L235-W252 HydrophobicContact CD1-CZ3 4.34Å; L235-W252 HydrophobicContact CD2-CH2 3.49Å; L235-W252 VanDerWaalsContact CD2-CH2 3.49Å; L235-W252 HydrophobicContact CD2-CZ2 3.95Å; L235-W252 HydrophobicContact CD2-CZ3 4.31Å; L235-W252 HydrophobicContact CG-CH2 3.72Å; L235-W252 HydrophobicContact CG-CZ2 4.31Å; L235-W252 HydrophobicContact CG-CZ3 4.07Å; W252-E254 PolarHBondContact O-N 3.06Å; W252-I255 HydrophobicContact CE3-CB 4.46Å; W252-I255 HydrophobicContact CE3-CD1 3.67Å; W252-I255 HydrophobicContact CZ3-CD1 3.75Å; W252-I255 PolarHBondContact O-N 3.18Å; W252-C294 HydrophobicContact CH2-CB 3.8Å; W252-C294 HydrophobicContact CZ3-CB 4.2Å; W252-N297 HydrophobicContact CZ2-CB 3.74Å; W252-H298 HydrophobicContact CD2-CB 4.1Å; W252-H298 HydrophobicContact CE3-CB 3.92Å; W252-H298 HydrophobicContact CZ3-CB 4.41Å; W252-Y301 HydrophobicContact CB-CD1 3.48Å; W252-Y301 VanDerWaalsContact CB-CD1 3.48Å; W252-Y301 HydrophobicContact CB-CD2 3.75Å; W252-Y301 HydrophobicContact CB-CE1 3.69Å; W252-Y301 HydrophobicContact CB-CE2 3.91Å; W252-Y301 HydrophobicContact CB-CG 3.52Å; W252-Y301 AromaticContact CD1-CD2 3.56Å; W252-Y301 AromaticContact CD1-CG 3.73Å; W252-Y301 HydrophobicContact CG-CD1 4.39Å; W252-Y301 HydrophobicContact CG-CD2 4.06Å; W252-Y301 AromaticContact CG-CG 3.97Å; W252-Y301 HydrophobicContact CG-CG 3.97Å
253N90.2Very high93.6Very high36 Ų3634 Ų3419%0.19317%0.165CC..G310 helixtrans-72.1-10.9172.769.8-56.8000114.7Q251 V270 Y301 F548 M555Q251-N253 WeakPolarHBondContact CB-OD1 3.24Å; Q251-N253 PolarHBondContact O-N 2.7Å; N253-V270 WeakPolarHBondContact O-CG2 3.31Å; N253-Y301 HydrophobicContact CB-CE1 4.07Å; N253-Y301 WeakPolarHBondContact CB-OH 3.24Å; N253-Y301 PolarHBondContact OD1-OH 2.83Å; N253-Y301 VanDerWaalsContact OD1-OH 3.06Å; N253-F548 HydrophobicContact CB-CE1 4.06Å; N253-F548 HydrophobicContact CB-CZ 4.41Å; N253-M555 HydrophobicContact CB-CG 4.22Å; N253-M555 HydrophobicContact CB-SD 3.52Å; N253-M555 VanDerWaalsContact CB-SD 3.52Å
254E91.4Very high93.6Very high21 Ų2135.3 Ų35.310%0.09817%0.17CC..G310 helixtrans-91.5-10.3174.4-56.3-176.3101.600112.5F250 Q251 W252 L269 V270 T625 R628F250-E254 WeakPolarHBondContact CA-OE2 3.34Å; Q251-E254 HydrophobicContact CB-CG 4.33Å; Q251-E254 PolarHBondContact N-OE2 2.85Å; Q251-E254 WeakPolarHBondContact O-CB 3.48Å; Q251-E254 PolarHBondContact O-N 3.4Å; W252-E254 PolarHBondContact O-N 3.06Å; E254-L269 CarbonylContact O-C 3.5Å; E254-L269 VanDerWaalsContact O-CA 3.25Å; E254-L269 WeakPolarHBondContact O-CA 3.37Å; E254-L269 VanDerWaalsContact O-CD2 3.28Å; E254-L269 WeakPolarHBondContact O-CD2 3.44Å; E254-V270 PolarHBondContact O-N 3.19Å; E254-T625 HydrophobicContact CB-CG2 4.29Å; E254-T625 WeakPolarHBondContact OE1-CB 3.35Å; E254-T625 VanDerWaalsContact OE1-CG2 3.23Å; E254-T625 WeakPolarHBondContact OE1-CG2 3.33Å; E254-T625 PolarHBondContact OE1-OG1 3.13Å; E254-R628 VanDerWaalsContact CD-NH1 3.34Å; E254-R628 IonicContact OE1-CZ 3.19Å; E254-R628 IonicContact OE1-NH1 2.92Å; E254-R628 PolarHBondContact OE1-NH1 3.19Å; E254-R628 VanDerWaalsContact OE1-NH1 3.13Å; E254-R628 IonicContact OE1-NH2 2.69Å; E254-R628 PolarHBondContact OE1-NH2 3.37Å; E254-R628 IonicContact OE2-CZ 2.67Å; E254-R628 IonicContact OE2-NH1 3.86Å; E254-R628 PolarHBondContact OE2-NH1 3.1Å; E254-R628 IonicContact OE2-NH2 3.79Å
255I91.6Very high93.6Very high0 Ų035.3 Ų35.30%017%0.17CC..EExtended strand (participates in β ladder)trans-103.9115.9-169.5-66.9169000110.1L235 F250 W252 V258 I267 L269L235-I255 HydrophobicContact CD1-CD1 3.8Å; L235-I255 HydrophobicContact CG-CD1 4.05Å; F250-I255 HydrophobicContact CB-CD1 4.36Å; W252-I255 HydrophobicContact CE3-CB 4.46Å; W252-I255 HydrophobicContact CE3-CD1 3.67Å; W252-I255 HydrophobicContact CZ3-CD1 3.75Å; W252-I255 PolarHBondContact O-N 3.18Å; I255-V258 HydrophobicContact CG2-CG2 3.71Å; I255-I267 HydrophobicContact CG1-CG2 4.05Å; I255-I267 HydrophobicContact CG2-CG2 4.08Å; I255-L269 HydrophobicContact CG1-CD2 4.44Å
256R88.9Confident93.6Very high113 Ų11335.3 Ų35.343%0.42617%0.17SC..EExtended strand (participates in β ladder)trans-90.9-29.3179.1179.7-178.6-67.8-79.61113.3R268 L269 V270 P545R256-R268 WeakPolarHBondContact CA-O 3.46Å; R256-R268 WeakPolarHBondContact CB-O 3.28Å; R256-R268 PolarHBondContact N-O 2.95Å; R256-L269 VanDerWaalsContact CB-O 3.32Å; R256-L269 WeakPolarHBondContact CB-O 3.18Å; R256-L269 PolarHBondContact NE-O 2.88Å; R256-V270 HydrophobicContact CB-CG2 4.12Å; R256-V270 PolarHBondContact NE-O 3.29Å; R256-V270 PolarHBondContact NH2-O 3.17Å; R256-P545 VanDerWaalsContact O-CD 3.23Å; R256-P545 WeakPolarHBondContact O-CD 3.3Å; R256-P545 WeakPolarHBondContact O-CG 3.27Å
257H88.3Confident93.5Very high9 Ų934.9 Ų34.94%0.04217%0.167CC..EExtended strand (participates in β ladder)trans-161.1146.3-177.9-167.5-97.4000111.6S259 I267 R268 D542 F543 E544H257-S259 PolarHBondContact CE1-OG 3.03Å; H257-I267 WeakPolarHBondContact O-CA 3.4Å; H257-R268 HydrophobicContact CB-CB 3.84Å; H257-R268 HydrophobicContact CB-CG 3.98Å; H257-R268 VanDerWaalsContact CB-NE 3.32Å; H257-R268 PolarHBondContact CD2-NH2 2.92Å; H257-R268 VanDerWaalsContact CG-NE 3.34Å; H257-R268 PolarHBondContact N-O 2.93Å; H257-R268 VanDerWaalsContact N-O 3.13Å; H257-R268 PolarHBondContact ND1-NE 3.31Å; H257-R268 PolarHBondContact NE2-NH2 3.16Å; H257-R268 PolarHBondContact O-N 2.91Å; H257-D542 IonicContact CE1-OD1 2.94Å; H257-D542 PolarHBondContact CE1-OD1 3.49Å; H257-F543 PolarHBondContact CD2-O 2.96Å; H257-E544 IonicContact CD2-OE1 3.66Å
258V93.2Very high93.3Very high0 Ų036.1 Ų36.10%017%0.17CC..EExtended strand (participates in β ladder)trans-128.5125.3171.2-172.60000108.7I255 F265 I267 L291 C294 F543I255-V258 HydrophobicContact CG2-CG2 3.71Å; V258-F265 HydrophobicContact CG1-CD1 4.31Å; V258-F265 HydrophobicContact CG1-CE1 4.48Å; V258-I267 HydrophobicContact CG1-CG1 4.15Å; V258-I267 HydrophobicContact CG2-CG1 4.27Å; V258-L291 HydrophobicContact CB-CD1 4.18Å; V258-L291 HydrophobicContact CG1-CD1 3.91Å; V258-L291 WeakPolarHBondContact O-CD1 3.38Å; V258-C294 HydrophobicContact CG1-CB 4.27Å; V258-C294 HydrophobicContact CG2-CB 4.36Å; V258-F543 HydrophobicContact CB-CD1 4.47Å; V258-F543 PolarHBondContact N-O 2.72Å; V258-F543 PolarHBondContact O-N 3.37Å
259S93.5Very high93.2Very high19 Ų1936.3 Ų36.313%0.13317%0.171CC..EExtended strand (participates in β ladder)trans-152.2169.7167.559.70000111.7H257 F265 T266 D542H257-S259 PolarHBondContact CE1-OG 3.03Å; S259-F265 WeakPolarHBondContact O-CA 3.43Å; S259-T266 PolarHBondContact N-O 3.3Å; S259-T266 PolarHBondContact O-N 2.92Å; S259-D542 WeakPolarHBondContact CB-OD1 3.45Å; S259-D542 PolarHBondContact OG-OD1 3.06Å; S259-D542 VanDerWaalsContact OG-OD1 3.11Å
260F94.7Very high92.9Very high24 Ų2438.1 Ų38.111%0.10518%0.182CC..EExtended strand (participates in β ladder)trans-138.7153.2175.172.9-88.8000112D262 K264 F265 L284 N287 K288 L291 D541F260-D262 WeakPolarHBondContact CD2-O 3.48Å; F260-K264 CarbonylContact C-O 3.57Å; F260-K264 WeakPolarHBondContact CA-O 3.46Å; F260-F265 HydrophobicContact CB-CD1 3.83Å; F260-F265 HydrophobicContact CB-CD2 3.9Å; F260-F265 HydrophobicContact CB-CE1 3.87Å; F260-F265 HydrophobicContact CB-CE2 3.95Å; F260-F265 HydrophobicContact CB-CG 3.85Å; F260-F265 HydrophobicContact CB-CZ 3.93Å; F260-F265 AromaticContact CD1-CE1 3.95Å; F260-F265 HydrophobicContact CD1-CE1 3.95Å; F260-F265 AromaticContact CD1-CZ 3.85Å; F260-F265 HydrophobicContact CD1-CZ 3.85Å; F260-F265 HydrophobicContact CG-CE1 4.26Å; F260-F265 HydrophobicContact CG-CE2 4.27Å; F260-F265 HydrophobicContact CG-CZ 4.04Å; F260-L284 HydrophobicContact CE2-CD1 3.62Å; F260-L284 HydrophobicContact CZ-CD1 4.03Å; F260-N287 HydrophobicContact CD1-CB 4.29Å; F260-N287 HydrophobicContact CD2-CB 3.93Å; F260-N287 HydrophobicContact CE1-CB 4.19Å; F260-N287 HydrophobicContact CE2-CB 3.83Å; F260-N287 HydrophobicContact CG-CB 4.18Å; F260-N287 HydrophobicContact CZ-CB 3.98Å; F260-K288 HydrophobicContact CE1-CG 4.4Å; F260-K288 HydrophobicContact CZ-CG 3.92Å; F260-L291 HydrophobicContact CD1-CB 4.39Å; F260-L291 HydrophobicContact CD1-CD2 4.26Å; F260-L291 HydrophobicContact CE1-CB 4.27Å; F260-L291 HydrophobicContact CE1-CD2 3.97Å; F260-D541 HydrophobicContact CD1-CB 4.47Å; F260-D541 HydrophobicContact CE1-CB 3.73Å; F260-D541 HydrophobicContact CZ-CB 3.9Å; F260-D541 WeakPolarHBondContact CZ-OD2 3.47Å
261D93.2Very high92.6Very high129 Ų12941.8 Ų41.869%0.6920%0.202SC*.EExtended strand (participates in β ladder)trans-127.3118.4172.4178.625.8000108.6K263 K264D261-K263 PolarHBondContact O-N 3.09Å; D261-K264 PolarHBondContact N-O 3.32Å; D261-K264 PolarHBondContact O-N 3.38Å
262D92.3Very high92.3Very high101 Ų10145 Ų4554%0.5423%0.233SC..THydrogen-bonded Turntrans44.5-89.2-164.2177.946.7000112.9F260 N287F260-D262 WeakPolarHBondContact CD2-O 3.48Å; D262-N287 PolarHBondContact O-ND2 3.3Å
263K94.8Very high92.1Very high75 Ų7553.8 Ų53.833%0.32627%0.271SS..THydrogen-bonded Turntrans-109.2-13.1-176.9-70.6171.6179.1-159.10114.6D261 Y280 S281 Q282D261-K263 PolarHBondContact O-N 3.09Å; K263-Y280 CarbonylContact O-C 3.58Å; K263-Y280 WeakPolarHBondContact O-CA 3.43Å; K263-S281 VanDerWaalsContact CA-O 3.29Å; K263-S281 WeakPolarHBondContact CA-O 3.43Å; K263-S281 VanDerWaalsContact CB-O 3.28Å; K263-S281 WeakPolarHBondContact CB-O 3.46Å; K263-S281 WeakPolarHBondContact CG-O 3.28Å; K263-S281 PolarHBondContact O-N 2.85Å; K263-Q282 WeakPolarHBondContact CE-O 3.33Å
264K96.4Very high92.1Very high80 Ų8052.6 Ų52.635%0.34827%0.265SS..EExtended strand (participates in β ladder)trans-99.1112.2-170.8179.4-161.9169.6-159.50110.4F260 D261 I278 Y280F260-K264 CarbonylContact C-O 3.57Å; F260-K264 WeakPolarHBondContact CA-O 3.46Å; D261-K264 PolarHBondContact N-O 3.32Å; D261-K264 PolarHBondContact O-N 3.38Å; K264-I278 HydrophobicContact CG-CG2 4.04Å; K264-Y280 HydrophobicContact CB-CD1 3.88Å; K264-Y280 HydrophobicContact CB-CE1 3.76Å; K264-Y280 HydrophobicContact CD-CE1 4.39Å; K264-Y280 HydrophobicContact CG-CD1 4.17Å; K264-Y280 HydrophobicContact CG-CE1 3.69Å
265F96.8Very high92.1Very high0 Ų055.3 Ų55.30%029%0.286CS..EExtended strand (participates in β ladder)trans-77.3144.8165.7-83.8-95.4000111.5V258 S259 F260 I278 F279 N287 I290V258-F265 HydrophobicContact CG1-CD1 4.31Å; V258-F265 HydrophobicContact CG1-CE1 4.48Å; S259-F265 WeakPolarHBondContact O-CA 3.43Å; F260-F265 HydrophobicContact CB-CD1 3.83Å; F260-F265 HydrophobicContact CB-CD2 3.9Å; F260-F265 HydrophobicContact CB-CE1 3.87Å; F260-F265 HydrophobicContact CB-CE2 3.95Å; F260-F265 HydrophobicContact CB-CG 3.85Å; F260-F265 HydrophobicContact CB-CZ 3.93Å; F260-F265 AromaticContact CD1-CE1 3.95Å; F260-F265 HydrophobicContact CD1-CE1 3.95Å; F260-F265 AromaticContact CD1-CZ 3.85Å; F260-F265 HydrophobicContact CD1-CZ 3.85Å; F260-F265 HydrophobicContact CG-CE1 4.26Å; F260-F265 HydrophobicContact CG-CE2 4.27Å; F260-F265 HydrophobicContact CG-CZ 4.04Å; F265-I278 WeakPolarHBondContact O-CA 3.4Å; F265-F279 HydrophobicContact CB-CD1 3.81Å; F265-F279 HydrophobicContact CB-CD2 3.98Å; F265-F279 HydrophobicContact CB-CE1 3.48Å; F265-F279 VanDerWaalsContact CB-CE1 3.48Å; F265-F279 HydrophobicContact CB-CE2 3.67Å; F265-F279 HydrophobicContact CB-CG 4.05Å; F265-F279 HydrophobicContact CB-CZ 3.4Å; F265-F279 HydrophobicContact CD1-CE1 4.21Å; F265-F279 HydrophobicContact CD1-CE2 4.25Å; F265-F279 AromaticContact CD1-CZ 3.63Å; F265-F279 HydrophobicContact CD1-CZ 3.63Å; F265-F279 AromaticContact CD2-CD2 4Å; F265-F279 HydrophobicContact CD2-CD2 4Å; F265-F279 HydrophobicContact CD2-CE1 4.46Å; F265-F279 AromaticContact CD2-CE2 3.23Å; F265-F279 HydrophobicContact CD2-CE2 3.23Å; F265-F279 AromaticContact CD2-CZ 3.51Å; F265-F279 HydrophobicContact CD2-CZ 3.51Å; F265-F279 HydrophobicContact CE1-CZ 4.26Å; F265-F279 AromaticContact CE2-CE2 3.89Å; F265-F279 HydrophobicContact CE2-CE2 3.89Å; F265-F279 HydrophobicContact CE2-CZ 4.15Å; F265-F279 HydrophobicContact CG-CD2 4.21Å; F265-F279 AromaticContact CG-CE1 3.81Å; F265-F279 HydrophobicContact CG-CE1 3.81Å; F265-F279 AromaticContact CG-CE2 3.44Å; F265-F279 HydrophobicContact CG-CE2 3.44Å; F265-F279 VanDerWaalsContact CG-CE2 3.44Å; F265-F279 AromaticContact CG-CZ 3.2Å; F265-F279 HydrophobicContact CG-CZ 3.2Å; F265-F279 HydrophobicContact CZ-CZ 4.49Å; F265-F279 PolarHBondContact N-O 3.35Å; F265-N287 HydrophobicContact CE2-CB 3.82Å; F265-N287 HydrophobicContact CZ-CB 3.99Å; F265-N287 WeakPolarHBondContact CZ-O 3.37Å; F265-I290 HydrophobicContact CD1-CG2 4.49Å; F265-I290 HydrophobicContact CE1-CB 4.24Å; F265-I290 HydrophobicContact CE1-CG2 3.68Å; F265-I290 HydrophobicContact CE2-CD1 4.05Å; F265-I290 HydrophobicContact CE2-CG2 4.42Å; F265-I290 HydrophobicContact CZ-CB 3.75Å; F265-I290 HydrophobicContact CZ-CD1 4.14Å; F265-I290 HydrophobicContact CZ-CG2 3.63Å
266T95.3Very high92.2Very high25 Ų2558.3 Ų58.315%0.15330%0.302CS..EExtended strand (participates in β ladder)trans-132.9109.3171.3-56.10000108.9S259 N276 I278S259-T266 PolarHBondContact N-O 3.3Å; S259-T266 PolarHBondContact O-N 2.92Å; T266-N276 HydrophobicContact CG2-CB 3.84Å; T266-N276 WeakPolarHBondContact CG2-ND2 3.36Å; T266-I278 HydrophobicContact CG2-CG1 4.29Å
267I94.1Very high92.4Very high1 Ų153 Ų531%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-97112.8174.1-69.9169.4000107.9L235 I255 H257 V258 L269 N276 F277 F279L235-I267 HydrophobicContact CD1-CD1 3.42Å; L235-I267 VanDerWaalsContact CD1-CD1 3.42Å; I255-I267 HydrophobicContact CG1-CG2 4.05Å; I255-I267 HydrophobicContact CG2-CG2 4.08Å; H257-I267 WeakPolarHBondContact O-CA 3.4Å; V258-I267 HydrophobicContact CG1-CG1 4.15Å; V258-I267 HydrophobicContact CG2-CG1 4.27Å; I267-L269 HydrophobicContact CG2-CD2 4.33Å; I267-N276 CarbonylContact O-C 3.59Å; I267-N276 WeakPolarHBondContact O-CA 3.43Å; I267-N276 WeakPolarHBondContact O-CB 3.33Å; I267-F277 HydrophobicContact CB-CB 4.16Å; I267-F277 HydrophobicContact CB-CD1 3.92Å; I267-F277 HydrophobicContact CB-CG 4.45Å; I267-F277 HydrophobicContact CD1-CD1 3.52Å; I267-F277 HydrophobicContact CD1-CE1 3.62Å; I267-F277 HydrophobicContact CG1-CD1 4.26Å; I267-F277 HydrophobicContact CG2-CB 4.44Å; I267-F277 HydrophobicContact CG2-CD1 4.18Å; I267-F277 PolarHBondContact N-O 3.1Å; I267-F277 PolarHBondContact O-N 3.38Å; I267-F279 HydrophobicContact CD1-CD1 4.5Å; I267-F279 HydrophobicContact CD1-CE1 3.81Å
268R92.4Very high92.7Very high93 Ų9353.6 Ų53.635%0.35129%0.286SS..EExtended strand (participates in β ladder)trans-84131.3173.2-51.2-170.6-90.4156.5-0.6107.6R256 H257 E544R256-R268 WeakPolarHBondContact CA-O 3.46Å; R256-R268 WeakPolarHBondContact CB-O 3.28Å; R256-R268 PolarHBondContact N-O 2.95Å; H257-R268 HydrophobicContact CB-CB 3.84Å; H257-R268 HydrophobicContact CB-CG 3.98Å; H257-R268 VanDerWaalsContact CB-NE 3.32Å; H257-R268 PolarHBondContact CD2-NH2 2.92Å; H257-R268 VanDerWaalsContact CG-NE 3.34Å; H257-R268 PolarHBondContact N-O 2.93Å; H257-R268 VanDerWaalsContact N-O 3.13Å; H257-R268 PolarHBondContact ND1-NE 3.31Å; H257-R268 PolarHBondContact NE2-NH2 3.16Å; H257-R268 PolarHBondContact O-N 2.91Å; R268-E544 IonicContact CZ-OE1 3.7Å; R268-E544 IonicContact NH2-OE1 3.4Å; R268-E544 PolarHBondContact NH2-OE1 2.81Å
269L92.1Very high92.9Very high7 Ų753.6 Ų53.64%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-91.7164.5-179.5-64.2169.9000111.5E254 I255 R256 I267 V274 T625 V629E254-L269 CarbonylContact O-C 3.5Å; E254-L269 VanDerWaalsContact O-CA 3.25Å; E254-L269 WeakPolarHBondContact O-CA 3.37Å; E254-L269 VanDerWaalsContact O-CD2 3.28Å; E254-L269 WeakPolarHBondContact O-CD2 3.44Å; I255-L269 HydrophobicContact CG1-CD2 4.44Å; R256-L269 VanDerWaalsContact CB-O 3.32Å; R256-L269 WeakPolarHBondContact CB-O 3.18Å; R256-L269 PolarHBondContact NE-O 2.88Å; I267-L269 HydrophobicContact CG2-CD2 4.33Å; L269-V274 HydrophobicContact CD1-CB 3.96Å; L269-V274 HydrophobicContact CD1-CG1 3.55Å; L269-T625 HydrophobicContact CD1-CG2 3.77Å; L269-T625 HydrophobicContact CD2-CG2 4.1Å; L269-T625 HydrophobicContact CG-CG2 4.49Å; L269-V629 HydrophobicContact CD1-CG2 3.71Å
270V89.4Confident93.1Very high40 Ų4056.1 Ų56.124%0.24229%0.293CS..SBendtrans-67.2-44.3178.71720000111.4N253 E254 R256 A272 F548N253-V270 WeakPolarHBondContact O-CG2 3.31Å; E254-V270 PolarHBondContact O-N 3.19Å; R256-V270 HydrophobicContact CB-CG2 4.12Å; R256-V270 PolarHBondContact NE-O 3.29Å; R256-V270 PolarHBondContact NH2-O 3.17Å; V270-A272 PolarHBondContact O-N 2.85Å; V270-F548 HydrophobicContact CG2-CE2 4.4Å
271D88Confident93.1Very high78 Ų7855.2 Ų55.242%0.41729%0.29SS..SBendtrans-76.3106168.9-178.913.8000111.1K273 V274D271-K273 PolarHBondContact O-N 3.14Å; D271-K273 VanDerWaalsContact O-N 3.11Å; D271-K273 VanDerWaalsContact OD1-CB 3.29Å; D271-K273 WeakPolarHBondContact OD1-CB 3.43Å; D271-K273 WeakPolarHBondContact OD1-CG 3.27Å; D271-K273 PolarHBondContact OD1-N 3.12Å; D271-V274 HydrophobicContact CB-CG2 4.03Å; D271-V274 PolarHBondContact O-N 3.21Å
272A87.7Confident93Very high95 Ų9555.1 Ų55.179%0.78529%0.285SS*.THydrogen-bonded Turntrans-66.1-6.2177.900000114.5V270 V274V270-A272 PolarHBondContact O-N 2.85Å; A272-V274 VanDerWaalsContact C-N 3.33Å
273K90.1Very high92.8Very high183 Ų18353.2 Ų53.280%0.79628%0.275SS*.THydrogen-bonded Turntrans-81.5-12.9170.8-57.6164.9-173163.10112.7D271D271-K273 PolarHBondContact O-N 3.14Å; D271-K273 VanDerWaalsContact O-N 3.11Å; D271-K273 VanDerWaalsContact OD1-CB 3.29Å; D271-K273 WeakPolarHBondContact OD1-CB 3.43Å; D271-K273 WeakPolarHBondContact OD1-CG 3.27Å; D271-K273 PolarHBondContact OD1-N 3.12Å
274V89.9Confident92.7Very high12 Ų1253.7 Ų53.77%0.07328%0.28CS..SBendtrans-91.5137176.7-169.80000109.6L269 D271 A272 K626 V629L269-V274 HydrophobicContact CD1-CB 3.96Å; L269-V274 HydrophobicContact CD1-CG1 3.55Å; D271-V274 HydrophobicContact CB-CG2 4.03Å; D271-V274 PolarHBondContact O-N 3.21Å; A272-V274 VanDerWaalsContact C-N 3.33Å; V274-K626 HydrophobicContact CG1-CB 4.12Å; V274-K626 HydrophobicContact CG1-CG 4.44Å; V274-K626 HydrophobicContact CG2-CB 4.04Å; V274-V629 HydrophobicContact CG1-CB 4.45Å; V274-V629 HydrophobicContact CG1-CG2 4.08Å
275S91.6Very high92.4Very high78 Ų7852.4 Ų52.455%0.54528%0.276SS..PPolyproline II helixtrans-61.9137.3172.6490000111.1F277S275-F277 PolarHBondContact O-N 3.39Å
276N92.7Very high92.2Very high63 Ų6354.4 Ų54.434%0.33729%0.286SS..PPolyproline II helixtrans-50.4134.1174.3-64.2-18000111.3T266 I267 I278T266-N276 HydrophobicContact CG2-CB 3.84Å; T266-N276 WeakPolarHBondContact CG2-ND2 3.36Å; I267-N276 CarbonylContact O-C 3.59Å; I267-N276 WeakPolarHBondContact O-CA 3.43Å; I267-N276 WeakPolarHBondContact O-CB 3.33Å; N276-I278 HydrophobicContact CB-CD1 4.37Å; N276-I278 HydrophobicContact CB-CG1 4.27Å; N276-I278 PolarHBondContact O-N 3.38Å
277F93.2Very high92.2Very high0 Ų053.2 Ų53.20%028%0.278CS..EExtended strand (participates in β ladder)trans-73.2122.2171.2167.1-134.5000108.4I237 F250 I267 S275 F279 V629 F632I237-F277 HydrophobicContact CD1-CE1 4.4Å; I237-F277 HydrophobicContact CD1-CE2 4.45Å; I237-F277 HydrophobicContact CD1-CZ 3.63Å; I237-F277 HydrophobicContact CG1-CZ 4.22Å; F250-F277 AromaticContact CD2-CD1 3.97Å; F250-F277 HydrophobicContact CD2-CD1 3.97Å; F250-F277 AromaticContact CD2-CE1 3.93Å; F250-F277 HydrophobicContact CD2-CE1 3.93Å; F250-F277 HydrophobicContact CD2-CZ 4.43Å; F250-F277 AromaticContact CE2-CD1 3.93Å; F250-F277 HydrophobicContact CE2-CD1 3.93Å; F250-F277 HydrophobicContact CE2-CD2 4.1Å; F250-F277 AromaticContact CE2-CE1 3.93Å; F250-F277 HydrophobicContact CE2-CE1 3.93Å; F250-F277 HydrophobicContact CE2-CE2 4.1Å; F250-F277 HydrophobicContact CE2-CG 4.06Å; F250-F277 HydrophobicContact CE2-CZ 4.05Å; F250-F277 HydrophobicContact CZ-CD2 4.39Å; F250-F277 HydrophobicContact CZ-CG 4.35Å; I267-F277 HydrophobicContact CB-CB 4.16Å; I267-F277 HydrophobicContact CB-CD1 3.92Å; I267-F277 HydrophobicContact CB-CG 4.45Å; I267-F277 HydrophobicContact CD1-CD1 3.52Å; I267-F277 HydrophobicContact CD1-CE1 3.62Å; I267-F277 HydrophobicContact CG1-CD1 4.26Å; I267-F277 HydrophobicContact CG2-CB 4.44Å; I267-F277 HydrophobicContact CG2-CD1 4.18Å; I267-F277 PolarHBondContact N-O 3.1Å; I267-F277 PolarHBondContact O-N 3.38Å; S275-F277 PolarHBondContact O-N 3.39Å; F277-F279 HydrophobicContact CE1-CD1 4.06Å; F277-F279 HydrophobicContact CE1-CE1 4.35Å; F277-F279 HydrophobicContact CE2-CD1 4.38Å; F277-F279 AromaticContact CZ-CD1 3.81Å; F277-F279 HydrophobicContact CZ-CD1 3.81Å; F277-F279 HydrophobicContact CZ-CE1 4.47Å; F277-V629 HydrophobicContact CB-CG2 4.23Å; F277-F632 AromaticContact CD2-CD1 3.81Å; F277-F632 HydrophobicContact CD2-CD1 3.81Å; F277-F632 AromaticContact CD2-CE1 4Å; F277-F632 HydrophobicContact CD2-CE1 4Å; F277-F632 HydrophobicContact CD2-CG 4.19Å; F277-F632 AromaticContact CE2-CD1 3.56Å; F277-F632 HydrophobicContact CE2-CD1 3.56Å; F277-F632 AromaticContact CE2-CD2 3.81Å; F277-F632 HydrophobicContact CE2-CD2 3.81Å; F277-F632 AromaticContact CE2-CE1 3.53Å; F277-F632 HydrophobicContact CE2-CE1 3.53Å; F277-F632 AromaticContact CE2-CE2 3.76Å; F277-F632 HydrophobicContact CE2-CE2 3.76Å; F277-F632 AromaticContact CE2-CG 3.7Å; F277-F632 HydrophobicContact CE2-CG 3.7Å; F277-F632 AromaticContact CE2-CZ 3.62Å; F277-F632 HydrophobicContact CE2-CZ 3.62Å; F277-F632 HydrophobicContact CZ-CE2 4.33Å; F277-F632 HydrophobicContact CZ-CZ 4.4Å
278I96.3Very high92.2Very high22 Ų2256.8 Ų56.811%0.11329%0.294CS..EExtended strand (participates in β ladder)trans-129.9121.7-170.4-69.5168.4000109.7K264 F265 T266 N276 Y280 F632K264-I278 HydrophobicContact CG-CG2 4.04Å; F265-I278 WeakPolarHBondContact O-CA 3.4Å; T266-I278 HydrophobicContact CG2-CG1 4.29Å; N276-I278 HydrophobicContact CB-CD1 4.37Å; N276-I278 HydrophobicContact CB-CG1 4.27Å; N276-I278 PolarHBondContact O-N 3.38Å; I278-Y280 HydrophobicContact CG2-CE2 4.14Å; I278-F632 WeakPolarHBondContact O-CE1 3.33Å
279F97.2Very high92.2Very high1 Ų154.4 Ų54.40%0.00429%0.287CS..EExtended strand (participates in β ladder)trans-131.5169.617368.9-94000110.6I218 T219 L228 F265 I267 F277 I290 F632I218-F279 HydrophobicContact CB-CD2 3.84Å; I218-F279 HydrophobicContact CB-CG 4.48Å; I218-F279 HydrophobicContact CD1-CB 3.91Å; I218-F279 HydrophobicContact CD1-CD2 4.2Å; I218-F279 HydrophobicContact CD1-CG 4.06Å; I218-F279 HydrophobicContact CG2-CD2 3.46Å; I218-F279 VanDerWaalsContact CG2-CD2 3.46Å; I218-F279 HydrophobicContact CG2-CE2 3.65Å; I218-F279 HydrophobicContact CG2-CG 4.4Å; T219-F279 CarbonylContact O-C 3.52Å; T219-F279 WeakPolarHBondContact O-CA 3.19Å; L228-F279 HydrophobicContact CD2-CE1 4.08Å; L228-F279 HydrophobicContact CD2-CE2 3.98Å; L228-F279 HydrophobicContact CD2-CZ 3.52Å; F265-F279 HydrophobicContact CB-CD1 3.81Å; F265-F279 HydrophobicContact CB-CD2 3.98Å; F265-F279 HydrophobicContact CB-CE1 3.48Å; F265-F279 VanDerWaalsContact CB-CE1 3.48Å; F265-F279 HydrophobicContact CB-CE2 3.67Å; F265-F279 HydrophobicContact CB-CG 4.05Å; F265-F279 HydrophobicContact CB-CZ 3.4Å; F265-F279 HydrophobicContact CD1-CE1 4.21Å; F265-F279 HydrophobicContact CD1-CE2 4.25Å; F265-F279 AromaticContact CD1-CZ 3.63Å; F265-F279 HydrophobicContact CD1-CZ 3.63Å; F265-F279 AromaticContact CD2-CD2 4Å; F265-F279 HydrophobicContact CD2-CD2 4Å; F265-F279 HydrophobicContact CD2-CE1 4.46Å; F265-F279 AromaticContact CD2-CE2 3.23Å; F265-F279 HydrophobicContact CD2-CE2 3.23Å; F265-F279 AromaticContact CD2-CZ 3.51Å; F265-F279 HydrophobicContact CD2-CZ 3.51Å; F265-F279 HydrophobicContact CE1-CZ 4.26Å; F265-F279 AromaticContact CE2-CE2 3.89Å; F265-F279 HydrophobicContact CE2-CE2 3.89Å; F265-F279 HydrophobicContact CE2-CZ 4.15Å; F265-F279 HydrophobicContact CG-CD2 4.21Å; F265-F279 AromaticContact CG-CE1 3.81Å; F265-F279 HydrophobicContact CG-CE1 3.81Å; F265-F279 AromaticContact CG-CE2 3.44Å; F265-F279 HydrophobicContact CG-CE2 3.44Å; F265-F279 VanDerWaalsContact CG-CE2 3.44Å; F265-F279 AromaticContact CG-CZ 3.2Å; F265-F279 HydrophobicContact CG-CZ 3.2Å; F265-F279 HydrophobicContact CZ-CZ 4.49Å; F265-F279 PolarHBondContact N-O 3.35Å; I267-F279 HydrophobicContact CD1-CD1 4.5Å; I267-F279 HydrophobicContact CD1-CE1 3.81Å; F277-F279 HydrophobicContact CE1-CD1 4.06Å; F277-F279 HydrophobicContact CE1-CE1 4.35Å; F277-F279 HydrophobicContact CE2-CD1 4.38Å; F277-F279 AromaticContact CZ-CD1 3.81Å; F277-F279 HydrophobicContact CZ-CD1 3.81Å; F277-F279 HydrophobicContact CZ-CE1 4.47Å; F279-I290 HydrophobicContact CZ-CG2 4.39Å; F279-F632 HydrophobicContact CB-CZ 3.94Å
280Y97.6Very high92.4Very high72 Ų7254 Ų5428%0.28229%0.285SS..EExtended strand (participates in β ladder)trans-125.1140.7-178-55.7-95.3000111I218 T219 K221 K263 K264 I278I218-Y280 CarbonylContact C-O 3.54Å; I218-Y280 VanDerWaalsContact CA-O 3.26Å; I218-Y280 WeakPolarHBondContact CA-O 3.31Å; T219-Y280 PolarHBondContact N-O 2.79Å; T219-Y280 PolarHBondContact O-N 2.62Å; K221-Y280 HydrophobicContact CG-CE2 4.13Å; K263-Y280 CarbonylContact O-C 3.58Å; K263-Y280 WeakPolarHBondContact O-CA 3.43Å; K264-Y280 HydrophobicContact CB-CD1 3.88Å; K264-Y280 HydrophobicContact CB-CE1 3.76Å; K264-Y280 HydrophobicContact CD-CE1 4.39Å; K264-Y280 HydrophobicContact CG-CD1 4.17Å; K264-Y280 HydrophobicContact CG-CE1 3.69Å; I278-Y280 HydrophobicContact CG2-CE2 4.14Å
281S94.8Very high92.7Very high5 Ų552.9 Ų52.94%0.03528%0.278CS..  trans-138.5138.7172.3160.20000109.4K263 I286 N287K263-S281 VanDerWaalsContact CA-O 3.29Å; K263-S281 WeakPolarHBondContact CA-O 3.43Å; K263-S281 VanDerWaalsContact CB-O 3.28Å; K263-S281 WeakPolarHBondContact CB-O 3.46Å; K263-S281 WeakPolarHBondContact CG-O 3.28Å; K263-S281 PolarHBondContact O-N 2.85Å; S281-I286 WeakPolarHBondContact OG-CG2 3.18Å; S281-N287 WeakPolarHBondContact CB-OD1 3.4Å; S281-N287 PolarHBondContact O-ND2 3.41Å; S281-N287 PolarHBondContact OG-OD1 3.2Å
282Q89.8Confident92.9Very high126 Ų12651.2 Ų51.259%0.58927%0.269SS*.SBendtrans-84.7-16.3-161.6-64.7-63.7-30.500115.3K263K263-Q282 WeakPolarHBondContact CE-O 3.33Å
283D89.5Confident93.3Very high61 Ų6146.7 Ų46.733%0.32623%0.232SC..  trans-118.1127.1-173.1168.733.2000112.1H285 I286 N287D283-H285 VanDerWaalsContact C-N 3.28Å; D283-H285 PolarHBondContact O-N 3.5Å; D283-H285 PolarHBondContact OD1-N 2.89Å; D283-H285 WeakPolarHBondContact OD2-CB 3.2Å; D283-I286 HydrophobicContact CB-CB 4.2Å; D283-I286 HydrophobicContact CB-CD1 4.22Å; D283-I286 HydrophobicContact CB-CG1 4.39Å; D283-I286 PolarHBondContact O-N 3.5Å; D283-I286 WeakPolarHBondContact OD2-CG1 3.46Å; D283-I286 PolarHBondContact OD2-N 3.31Å; D283-I286 VanDerWaalsContact OD2-N 3.14Å; D283-N287 WeakPolarHBondContact O-CB 3.34Å; D283-N287 PolarHBondContact O-N 3.37Å; D283-N287 PolarHBondContact O-ND2 3.06Å; D283-N287 PolarHBondContact O-OD1 3.07Å
284L91.7Very high93.6Very high86 Ų8638 Ų3845%0.4519%0.194SC..Hα-helixtrans-65.5-26.3179.6-177.659.7000113.4F260 K288F260-L284 HydrophobicContact CE2-CD1 3.62Å; F260-L284 HydrophobicContact CZ-CD1 4.03Å; L284-K288 WeakPolarHBondContact O-CG 3.36Å; L284-K288 PolarHBondContact O-N 3.1Å
285H90.7Very high93.8Very high53 Ų5342.6 Ų42.625%0.24521%0.213CC..Hα-helixtrans-70.3-52.7173.317964.3000110.7V63 S64 D283 N287 K288 M289V63-H285 PolarHBondContact O-CE1 3.2Å; V63-H285 PolarHBondContact O-NE2 3.34Å; S64-H285 PolarHBondContact OG-CE1 3.46Å; S64-H285 VanDerWaalsContact OG-CE1 3.28Å; D283-H285 VanDerWaalsContact C-N 3.28Å; D283-H285 PolarHBondContact O-N 3.5Å; D283-H285 PolarHBondContact OD1-N 2.89Å; D283-H285 WeakPolarHBondContact OD2-CB 3.2Å; H285-N287 VanDerWaalsContact C-N 3.27Å; H285-N287 PolarHBondContact O-N 3.16Å; H285-K288 PolarHBondContact O-N 3.3Å; H285-M289 PolarHBondContact O-N 2.94Å
286I92.9Very high93.9Very high41 Ų4139.5 Ų39.521%0.2119%0.194CC..Hα-helixtrans-52.6-44.6171-74.7171.9000111.5F216 S281 D283 K288 M289 I290F216-I286 HydrophobicContact CD1-CG2 3.71Å; F216-I286 HydrophobicContact CE1-CG2 4.31Å; S281-I286 WeakPolarHBondContact OG-CG2 3.18Å; D283-I286 HydrophobicContact CB-CB 4.2Å; D283-I286 HydrophobicContact CB-CD1 4.22Å; D283-I286 HydrophobicContact CB-CG1 4.39Å; D283-I286 PolarHBondContact O-N 3.5Å; D283-I286 WeakPolarHBondContact OD2-CG1 3.46Å; D283-I286 PolarHBondContact OD2-N 3.31Å; D283-I286 VanDerWaalsContact OD2-N 3.14Å; I286-K288 VanDerWaalsContact C-N 3.34Å; I286-K288 PolarHBondContact O-N 2.84Å; I286-M289 PolarHBondContact O-N 2.88Å; I286-M289 VanDerWaalsContact O-N 3.09Å; I286-I290 HydrophobicContact CG2-CD1 3.66Å; I286-I290 HydrophobicContact CG2-CG1 4.19Å; I286-I290 WeakPolarHBondContact O-CG1 3.21Å; I286-I290 PolarHBondContact O-N 3.18Å
287N94.8Very high94.1Very high0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-62.5-39.8-177.8-64-6000112.2F260 D262 F265 S281 D283 H285 L291F260-N287 HydrophobicContact CD1-CB 4.29Å; F260-N287 HydrophobicContact CD2-CB 3.93Å; F260-N287 HydrophobicContact CE1-CB 4.19Å; F260-N287 HydrophobicContact CE2-CB 3.83Å; F260-N287 HydrophobicContact CG-CB 4.18Å; F260-N287 HydrophobicContact CZ-CB 3.98Å; D262-N287 PolarHBondContact O-ND2 3.3Å; F265-N287 HydrophobicContact CE2-CB 3.82Å; F265-N287 HydrophobicContact CZ-CB 3.99Å; F265-N287 WeakPolarHBondContact CZ-O 3.37Å; S281-N287 WeakPolarHBondContact CB-OD1 3.4Å; S281-N287 PolarHBondContact O-ND2 3.41Å; S281-N287 PolarHBondContact OG-OD1 3.2Å; D283-N287 WeakPolarHBondContact O-CB 3.34Å; D283-N287 PolarHBondContact O-N 3.37Å; D283-N287 PolarHBondContact O-ND2 3.06Å; D283-N287 PolarHBondContact O-OD1 3.07Å; H285-N287 VanDerWaalsContact C-N 3.27Å; H285-N287 PolarHBondContact O-N 3.16Å; N287-L291 PolarHBondContact O-N 3.34Å; N287-L291 VanDerWaalsContact O-N 3.12Å
288K93Very high94.1Very high76 Ų7636.7 Ų36.733%0.3318%0.178SC..Hα-helixtrans-66.6-39.1173.3-69.6170.4-170.7-68.20112F260 L284 H285 I286 L291 D292 D541F260-K288 HydrophobicContact CE1-CG 4.4Å; F260-K288 HydrophobicContact CZ-CG 3.92Å; L284-K288 WeakPolarHBondContact O-CG 3.36Å; L284-K288 PolarHBondContact O-N 3.1Å; H285-K288 PolarHBondContact O-N 3.3Å; I286-K288 VanDerWaalsContact C-N 3.34Å; I286-K288 PolarHBondContact O-N 2.84Å; K288-L291 PolarHBondContact O-N 2.71Å; K288-D292 PolarHBondContact O-N 3.13Å; K288-D541 IonicContact NZ-OD1 2.91Å; K288-D541 IonicContact NZ-OD2 3.13Å; K288-D541 PolarHBondContact NZ-OD2 3.04Å
289M93.6Very high93.9Very high43 Ų4336.7 Ų36.721%0.21218%0.179CC..Hα-helixtrans-67.7-38.8177.8-172.9155.870.600112.9F216 H285 I286 D292 L293F216-M289 HydrophobicContact CE1-CE 3.81Å; F216-M289 HydrophobicContact CE1-CG 4.39Å; F216-M289 HydrophobicContact CZ-CE 4.28Å; F216-M289 HydrophobicContact CZ-CG 4.24Å; H285-M289 PolarHBondContact O-N 2.94Å; I286-M289 PolarHBondContact O-N 2.88Å; I286-M289 VanDerWaalsContact O-N 3.09Å; M289-D292 PolarHBondContact O-N 2.88Å; M289-L293 HydrophobicContact CG-CD1 4Å; M289-L293 WeakPolarHBondContact O-CB 3.37Å; M289-L293 WeakPolarHBondContact O-CD1 3.34Å; M289-L293 VanDerWaalsContact O-CG 3.31Å; M289-L293 WeakPolarHBondContact O-CG 3.49Å; M289-L293 PolarHBondContact O-N 3.45Å
290I95.8Very high93.8Very high0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-58.8-51.2171.4-68.4165.8000109.7F216 L228 F265 F279 I286 D292 L293 C294F216-I290 HydrophobicContact CB-CD1 3.9Å; F216-I290 HydrophobicContact CB-CG1 4.14Å; F216-I290 HydrophobicContact CD1-CD1 4.02Å; F216-I290 HydrophobicContact CD1-CG1 3.62Å; F216-I290 HydrophobicContact CD2-CD1 4.37Å; F216-I290 HydrophobicContact CD2-CG1 3.66Å; F216-I290 HydrophobicContact CE1-CG1 3.87Å; F216-I290 HydrophobicContact CE2-CG1 3.91Å; F216-I290 HydrophobicContact CG-CD1 3.82Å; F216-I290 HydrophobicContact CG-CG1 3.5Å; F216-I290 HydrophobicContact CZ-CG1 4.02Å; L228-I290 HydrophobicContact CD2-CG2 3.98Å; F265-I290 HydrophobicContact CD1-CG2 4.49Å; F265-I290 HydrophobicContact CE1-CB 4.24Å; F265-I290 HydrophobicContact CE1-CG2 3.68Å; F265-I290 HydrophobicContact CE2-CD1 4.05Å; F265-I290 HydrophobicContact CE2-CG2 4.42Å; F265-I290 HydrophobicContact CZ-CB 3.75Å; F265-I290 HydrophobicContact CZ-CD1 4.14Å; F265-I290 HydrophobicContact CZ-CG2 3.63Å; F279-I290 HydrophobicContact CZ-CG2 4.39Å; I286-I290 HydrophobicContact CG2-CD1 3.66Å; I286-I290 HydrophobicContact CG2-CG1 4.19Å; I286-I290 WeakPolarHBondContact O-CG1 3.21Å; I286-I290 PolarHBondContact O-N 3.18Å; I290-D292 PolarHBondContact O-N 2.9Å; I290-L293 PolarHBondContact O-N 3.24Å; I290-C294 WeakPolarHBondContact O-CB 3.27Å; I290-C294 PolarHBondContact O-N 3.09Å; I290-C294 PolarHBondContact O-SG 3.36Å
291L95Very high93.6Very high16 Ų1633.7 Ų33.78%0.08417%0.168CC..Hα-helixtrans-61-43.4-178.8-175.567.1000112.4V258 F260 N287 K288 L293 C294 K295 D541 F543V258-L291 HydrophobicContact CB-CD1 4.18Å; V258-L291 HydrophobicContact CG1-CD1 3.91Å; V258-L291 WeakPolarHBondContact O-CD1 3.38Å; F260-L291 HydrophobicContact CD1-CB 4.39Å; F260-L291 HydrophobicContact CD1-CD2 4.26Å; F260-L291 HydrophobicContact CE1-CB 4.27Å; F260-L291 HydrophobicContact CE1-CD2 3.97Å; N287-L291 PolarHBondContact O-N 3.34Å; N287-L291 VanDerWaalsContact O-N 3.12Å; K288-L291 PolarHBondContact O-N 2.71Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L291-L293 PolarHBondContact O-N 3.36Å; L291-C294 PolarHBondContact O-N 2.66Å; L291-K295 WeakPolarHBondContact O-CB 3.31Å; L291-K295 PolarHBondContact O-N 3Å; L291-D541 HydrophobicContact CD2-CB 3.81Å; L291-D541 WeakPolarHBondContact CD2-O 3.17Å; L291-F543 HydrophobicContact CD1-CB 3.94Å
292D93.3Very high93.4Very high42 Ų4233.9 Ų33.923%0.22517%0.168CC..Hα-helixtrans-56.7-44.1174.2-80-42.9000112.5K67 K288 M289 I290 G296K67-D292 IonicContact NZ-OD1 3.82Å; K67-D292 PolarHBondContact NZ-OD1 3.4Å; K67-D292 IonicContact NZ-OD2 3.62Å; K67-D292 PolarHBondContact NZ-OD2 3.15Å; K288-D292 PolarHBondContact O-N 3.13Å; M289-D292 PolarHBondContact O-N 2.88Å; I290-D292 PolarHBondContact O-N 2.9Å; D292-G296 PolarHBondContact O-N 3.37Å
293L95.7Very high93.5Very high1 Ų134.3 Ų34.31%0.00516%0.164CC..Hα-helixtrans-74-39.1-178.3-72.2166.1000111.7K93 F94 N214 F216 V230 M289 I290 L291 N297K93-L293 HydrophobicContact CG-CD2 3.92Å; F94-L293 HydrophobicContact CD1-CD2 4.49Å; F94-L293 HydrophobicContact CE1-CD2 3.99Å; N214-L293 HydrophobicContact CB-CD1 3.95Å; F216-L293 HydrophobicContact CE2-CD1 3.86Å; F216-L293 HydrophobicContact CZ-CD1 3.58Å; V230-L293 HydrophobicContact CG1-CB 4Å; M289-L293 HydrophobicContact CG-CD1 4Å; M289-L293 WeakPolarHBondContact O-CB 3.37Å; M289-L293 WeakPolarHBondContact O-CD1 3.34Å; M289-L293 VanDerWaalsContact O-CG 3.31Å; M289-L293 WeakPolarHBondContact O-CG 3.49Å; M289-L293 PolarHBondContact O-N 3.45Å; I290-L293 PolarHBondContact O-N 3.24Å; L291-L293 VanDerWaalsContact C-N 3.32Å; L291-L293 PolarHBondContact O-N 3.36Å; L293-N297 WeakPolarHBondContact O-CB 3.13Å; L293-N297 PolarHBondContact O-N 2.87Å; L293-N297 PolarHBondContact O-ND2 2.56Å
294C96.4Very high93.6Very high1 Ų133.3 Ų33.31%0.00716%0.156CC..Hα-helixtrans-60.3-47.7172.7-67.80000111.1W252 V258 I290 L291 H298W252-C294 HydrophobicContact CH2-CB 3.8Å; W252-C294 HydrophobicContact CZ3-CB 4.2Å; V258-C294 HydrophobicContact CG1-CB 4.27Å; V258-C294 HydrophobicContact CG2-CB 4.36Å; I290-C294 WeakPolarHBondContact O-CB 3.27Å; I290-C294 PolarHBondContact O-N 3.09Å; I290-C294 PolarHBondContact O-SG 3.36Å; L291-C294 PolarHBondContact O-N 2.66Å; C294-H298 WeakPolarHBondContact O-CB 3.26Å; C294-H298 PolarHBondContact O-N 3.49Å
295K93.2Very high93.6Very high107 Ų10729.3 Ų29.347%0.46514%0.135SC..Hα-helixtrans-57.4-51.5177175166.8-176.81790112L291 D299 F543L291-K295 WeakPolarHBondContact O-CB 3.31Å; L291-K295 PolarHBondContact O-N 3Å; K295-D299 WeakPolarHBondContact O-CB 3.27Å; K295-D299 PolarHBondContact O-N 3.15Å; K295-F543 HydrophobicContact CB-CD1 4.07Å; K295-F543 HydrophobicContact CB-CD2 4.03Å; K295-F543 HydrophobicContact CB-CE1 4.27Å; K295-F543 HydrophobicContact CB-CE2 4.24Å; K295-F543 HydrophobicContact CB-CG 3.94Å; K295-F543 HydrophobicContact CB-CZ 4.34Å; K295-F543 HydrophobicContact CD-CD2 3.74Å; K295-F543 HydrophobicContact CD-CE2 4.15Å; K295-F543 HydrophobicContact CD-CG 4.3Å; K295-F543 HydrophobicContact CG-CD2 3.65Å; K295-F543 HydrophobicContact CG-CE2 3.66Å; K295-F543 HydrophobicContact CG-CG 4.1Å; K295-F543 HydrophobicContact CG-CZ 4.1Å
296G94.1Very high93.4Very high14 Ų1430.5 Ų30.514%0.14414%0.139CC..Hα-helixtrans-69.5-41.7-176.600000114.2D292 D299 L300D292-G296 PolarHBondContact O-N 3.37Å; G296-D299 PolarHBondContact O-N 2.67Å; G296-L300 WeakPolarHBondContact O-CG 3.12Å; G296-L300 PolarHBondContact O-N 3.16Å
297N96.7Very high93.2Very high3 Ų334.4 Ų34.42%0.01617%0.167CC..Hα-helixtrans-65.8-42176.1-76.4-72.7000111.5T231 S232 W252 L293 L300 Y301T231-N297 WeakPolarHBondContact O-CB 3.44Å; T231-N297 PolarHBondContact O-OD1 2.7Å; S232-N297 WeakPolarHBondContact CA-OD1 3.23Å; W252-N297 HydrophobicContact CZ2-CB 3.74Å; L293-N297 WeakPolarHBondContact O-CB 3.13Å; L293-N297 PolarHBondContact O-N 2.87Å; L293-N297 PolarHBondContact O-ND2 2.56Å; N297-L300 PolarHBondContact O-N 3.11Å; N297-Y301 VanDerWaalsContact O-CB 3.28Å; N297-Y301 WeakPolarHBondContact O-CB 3.47Å; N297-Y301 PolarHBondContact O-N 2.95Å
298H93.7Very high93.1Very high0 Ų037.5 Ų37.50%018%0.184CC..Hα-helixtrans-61.2-46.1173.5177.5-80.8000112.1W252 C294 L300 Y301 M302 F543 P545 F548W252-H298 HydrophobicContact CD2-CB 4.1Å; W252-H298 HydrophobicContact CE3-CB 3.92Å; W252-H298 HydrophobicContact CZ3-CB 4.41Å; C294-H298 WeakPolarHBondContact O-CB 3.26Å; C294-H298 PolarHBondContact O-N 3.49Å; H298-L300 VanDerWaalsContact C-N 3.25Å; H298-L300 PolarHBondContact O-N 2.85Å; H298-Y301 PolarHBondContact O-N 3.29Å; H298-M302 VanDerWaalsContact CE1-CG 3.43Å; H298-M302 WeakPolarHBondContact CE1-CG 3.43Å; H298-M302 WeakPolarHBondContact O-CB 3.26Å; H298-M302 WeakPolarHBondContact O-CG 3.47Å; H298-M302 PolarHBondContact O-N 3.38Å; H298-F543 HydrophobicContact CB-CE1 3.9Å; H298-F543 HydrophobicContact CB-CZ 4.18Å; H298-F543 AromaticContact CG-CE1 3.89Å; H298-F543 AromaticContact ND1-CE1 3.9Å; H298-F543 AromaticContact ND1-CZ 3.56Å; H298-P545 VanDerWaalsContact CE1-CB 3.42Å; H298-P545 WeakPolarHBondContact CE1-CB 3.42Å; H298-F548 AromaticContact NE2-CZ 3.98Å
299D92.7Very high93.1Very high23 Ų2337.7 Ų37.712%0.12319%0.191CC..Hα-helixtrans-64.7-26.1178.4-103.929.9000113K295 G296 R303 K546K295-D299 WeakPolarHBondContact O-CB 3.27Å; K295-D299 PolarHBondContact O-N 3.15Å; G296-D299 PolarHBondContact O-N 2.67Å; D299-R303 VanDerWaalsContact O-CG 3.26Å; D299-R303 WeakPolarHBondContact O-CG 3.42Å; D299-R303 PolarHBondContact O-N 3.35Å; D299-R303 PolarHBondContact O-NE 2.86Å; D299-K546 IonicContact OD1-NZ 3.87Å; D299-K546 IonicContact OD2-NZ 3.53Å; D299-K546 PolarHBondContact OD2-NZ 3.18Å
300L94.9Very high93.1Very high10 Ų1042.3 Ų42.35%0.05221%0.214CC..Hα-helixtrans-80.8-45.2172.4-73.8170.7000112.4W50 F94 G296 N297 H298 M302 R303 R304W50-L300 HydrophobicContact CB-CD2 4.16Å; W50-L300 HydrophobicContact CG-CD2 4.2Å; F94-L300 HydrophobicContact CB-CD1 3.38Å; F94-L300 HydrophobicContact CD1-CD1 4.31Å; F94-L300 HydrophobicContact CD2-CD1 4.13Å; F94-L300 HydrophobicContact CG-CD1 3.69Å; G296-L300 WeakPolarHBondContact O-CG 3.12Å; G296-L300 PolarHBondContact O-N 3.16Å; N297-L300 PolarHBondContact O-N 3.11Å; H298-L300 VanDerWaalsContact C-N 3.25Å; H298-L300 PolarHBondContact O-N 2.85Å; L300-M302 PolarHBondContact O-N 3.39Å; L300-R303 WeakPolarHBondContact O-CA 3.41Å; L300-R303 WeakPolarHBondContact O-CB 3.39Å; L300-R303 PolarHBondContact O-N 2.98Å; L300-R304 PolarHBondContact O-N 2.96Å
301Y94.1Very high93Very high0 Ų045.5 Ų45.50%023%0.229CC..Hα-helixtrans-51.8-41.1172.7178.2-84.7000111.6E97 W252 N253 N297 H298 R305 M555E97-Y301 WeakPolarHBondContact OE1-CD2 3.44Å; W252-Y301 HydrophobicContact CB-CD1 3.48Å; W252-Y301 VanDerWaalsContact CB-CD1 3.48Å; W252-Y301 HydrophobicContact CB-CD2 3.75Å; W252-Y301 HydrophobicContact CB-CE1 3.69Å; W252-Y301 HydrophobicContact CB-CE2 3.91Å; W252-Y301 HydrophobicContact CB-CG 3.52Å; W252-Y301 AromaticContact CD1-CD2 3.56Å; W252-Y301 AromaticContact CD1-CG 3.73Å; W252-Y301 HydrophobicContact CG-CD1 4.39Å; W252-Y301 HydrophobicContact CG-CD2 4.06Å; W252-Y301 AromaticContact CG-CG 3.97Å; W252-Y301 HydrophobicContact CG-CG 3.97Å; N253-Y301 HydrophobicContact CB-CE1 4.07Å; N253-Y301 WeakPolarHBondContact CB-OH 3.24Å; N253-Y301 PolarHBondContact OD1-OH 2.83Å; N253-Y301 VanDerWaalsContact OD1-OH 3.06Å; N297-Y301 VanDerWaalsContact O-CB 3.28Å; N297-Y301 WeakPolarHBondContact O-CB 3.47Å; N297-Y301 PolarHBondContact O-N 2.95Å; H298-Y301 PolarHBondContact O-N 3.29Å; Y301-R305 VanDerWaalsContact CD2-CZ 3.43Å; Y301-R305 VanDerWaalsContact CZ-NE 3.28Å; Y301-R305 WeakPolarHBondContact O-CD 3.3Å; Y301-R305 PolarHBondContact O-N 2.87Å; Y301-R305 PolarHBondContact O-NH1 3.22Å; Y301-R305 VanDerWaalsContact O-NH1 3.08Å; Y301-R305 PolarHBondContact OH-NE 2.89Å; Y301-M555 HydrophobicContact CE1-SD 4.01Å
302M90.3Very high93Very high9 Ų946.3 Ų46.34%0.04423%0.233CC..Hα-helixtrans-75.4-16.2176-76.9-67.4-119.300115.4H298 L300 K306 K546 F548 M555H298-M302 VanDerWaalsContact CE1-CG 3.43Å; H298-M302 WeakPolarHBondContact CE1-CG 3.43Å; H298-M302 WeakPolarHBondContact O-CB 3.26Å; H298-M302 WeakPolarHBondContact O-CG 3.47Å; H298-M302 PolarHBondContact O-N 3.38Å; L300-M302 PolarHBondContact O-N 3.39Å; M302-K306 WeakPolarHBondContact O-CD 3.39Å; M302-K306 WeakPolarHBondContact O-CE 3.49Å; M302-K306 WeakPolarHBondContact O-CG 3.43Å; M302-K546 WeakPolarHBondContact CE-O 3.37Å; M302-F548 HydrophobicContact CE-CB 4.47Å; M302-F548 HydrophobicContact CE-CD1 3.44Å; M302-F548 VanDerWaalsContact CE-CD1 3.44Å; M302-F548 HydrophobicContact CE-CD2 3.86Å; M302-F548 HydrophobicContact CE-CE1 3.35Å; M302-F548 HydrophobicContact CE-CE2 3.78Å; M302-F548 HydrophobicContact CE-CG 3.68Å; M302-F548 HydrophobicContact CE-CZ 3.51Å; M302-F548 HydrophobicContact SD-CD1 3.7Å; M302-F548 HydrophobicContact SD-CE1 3.37Å; M302-F548 WeakPolarHBondContact SD-CE1 3.36Å; M302-F548 HydrophobicContact SD-CZ 3.97Å; M302-M555 HydrophobicContact SD-CE 4.24Å
303R91.4Very high93.1Very high135 Ų13549.4 Ų49.451%0.50925%0.246SC..Hα-helixtrans-82.9-44.5171-74.3170.4-148-161.41.6111.2D299 L300 R305 K306D299-R303 VanDerWaalsContact O-CG 3.26Å; D299-R303 WeakPolarHBondContact O-CG 3.42Å; D299-R303 PolarHBondContact O-N 3.35Å; D299-R303 PolarHBondContact O-NE 2.86Å; L300-R303 WeakPolarHBondContact O-CA 3.41Å; L300-R303 WeakPolarHBondContact O-CB 3.39Å; L300-R303 PolarHBondContact O-N 2.98Å; R303-R305 PolarHBondContact O-N 2.92Å; R303-K306 PolarHBondContact O-N 3.12Å
304R92.2Very high93.1Very high40 Ų4054.7 Ų54.715%0.15127%0.271CS..Hα-helixtrans-56.8-30.8176.7-67162.5-177.3135.64.9113.2F95 E97 E102 S232 L300 K306F95-R304 PolarHBondContact O-NH2 3.21Å; E97-R304 WeakPolarHBondContact OE1-CD 3.41Å; E97-R304 IonicContact OE1-CZ 3.51Å; E97-R304 IonicContact OE1-NE 3.86Å; E97-R304 PolarHBondContact OE1-NE 3.04Å; E97-R304 IonicContact OE1-NH1 3.81Å; E97-R304 PolarHBondContact OE1-NH1 2.94Å; E102-R304 VanDerWaalsContact CD-NE 3.27Å; E102-R304 IonicContact OE1-NE 3.84Å; E102-R304 PolarHBondContact OE1-NE 3.37Å; E102-R304 IonicContact OE2-CZ 2.74Å; E102-R304 VanDerWaalsContact OE2-CZ 3.22Å; E102-R304 IonicContact OE2-NE 3.09Å; E102-R304 PolarHBondContact OE2-NE 3.38Å; E102-R304 IonicContact OE2-NH2 3.7Å; E102-R304 PolarHBondContact OE2-NH2 3.06Å; S232-R304 PolarHBondContact O-NH1 2.58Å; L300-R304 PolarHBondContact O-N 2.96Å; R304-K306 VanDerWaalsContact C-N 3.26Å; R304-K306 PolarHBondContact O-N 3.45Å
305R90.3Very high93.1Very high2 Ų254.9 Ų54.91%0.00827%0.272CS..THydrogen-bonded Turntrans-93.127.7178.4-67.3156.9-178.980.43.5112.7E97 Y301 R303 L550 M555 I558 T559 M562E97-R305 IonicContact OE1-CZ 2.64Å; E97-R305 IonicContact OE1-NH1 2.75Å; E97-R305 PolarHBondContact OE1-NH1 3.34Å; E97-R305 IonicContact OE1-NH2 3.69Å; E97-R305 IonicContact OE2-CZ 2.71Å; E97-R305 IonicContact OE2-NH1 2.75Å; E97-R305 PolarHBondContact OE2-NH1 3.11Å; E97-R305 IonicContact OE2-NH2 3.89Å; E97-R305 PolarHBondContact OE2-NH2 3.06Å; Y301-R305 VanDerWaalsContact CD2-CZ 3.43Å; Y301-R305 VanDerWaalsContact CZ-NE 3.28Å; Y301-R305 WeakPolarHBondContact O-CD 3.3Å; Y301-R305 PolarHBondContact O-N 2.87Å; Y301-R305 PolarHBondContact O-NH1 3.22Å; Y301-R305 VanDerWaalsContact O-NH1 3.08Å; Y301-R305 PolarHBondContact OH-NE 2.89Å; R303-R305 PolarHBondContact O-N 2.92Å; R305-L550 WeakPolarHBondContact O-CD1 3.41Å; R305-M555 HydrophobicContact CB-CE 3.78Å; R305-M555 HydrophobicContact CG-CE 4.29Å; R305-I558 HydrophobicContact CB-CD1 4.49Å; R305-I558 HydrophobicContact CG-CB 4.48Å; R305-I558 HydrophobicContact CG-CG2 3.96Å; R305-T559 PolarHBondContact NE-OG1 3.43Å; R305-T559 VanDerWaalsContact NE-OG1 3.1Å; R305-T559 PolarHBondContact NH2-OG1 3.31Å; R305-M562 VanDerWaalsContact CZ-CE 3.5Å
306K87.7Confident93.2Very high78 Ų7853.2 Ų53.234%0.33926%0.264SS..SBendtrans-136.6153.6170.3-66.1179.2-174.3-1780108M302 R303 R304 D308M302-K306 WeakPolarHBondContact O-CD 3.39Å; M302-K306 WeakPolarHBondContact O-CE 3.49Å; M302-K306 WeakPolarHBondContact O-CG 3.43Å; R303-K306 PolarHBondContact O-N 3.12Å; R304-K306 VanDerWaalsContact C-N 3.26Å; R304-K306 PolarHBondContact O-N 3.45Å; K306-D308 PolarHBondContact O-N 3.48Å
307P89Confident93.3Very high122 Ų12255.2 Ų55.279%0.79228%0.28SS*.PPolyproline II helixtrans-55.9140.5175.8-25.234.9000111.8T309P307-T309 PolarHBondContact O-N 3.26Å
308D91.5Very high93.2Very high65 Ų6560.2 Ų60.235%0.34830%0.303SS..PPolyproline II helixtrans-50137.5176.3-80.4-29.6000110.9K306 I312 Q313 K316K306-D308 PolarHBondContact O-N 3.48Å; D308-I312 HydrophobicContact CB-CB 4.17Å; D308-I312 HydrophobicContact CB-CG2 3.91Å; D308-I312 WeakPolarHBondContact OD1-CG2 3.38Å; D308-Q313 HydrophobicContact CB-CG 3.69Å; D308-Q313 PolarHBondContact O-NE2 2.92Å; D308-K316 IonicContact OD1-NZ 2.7Å; D308-K316 PolarHBondContact OD1-NZ 2.94Å; D308-K316 WeakPolarHBondContact OD2-CD 3.26Å; D308-K316 WeakPolarHBondContact OD2-CE 3.22Å; D308-K316 IonicContact OD2-NZ 3.82Å; D308-K316 PolarHBondContact OD2-NZ 2.95Å
309T93.7Very high93.2Very high81 Ų8161.7 Ų61.750%0.49732%0.316SS..PPolyproline II helixtrans-64.9156.6173.269.20000110.4P307 E311 I312 Q313P307-T309 PolarHBondContact O-N 3.26Å; T309-E311 PolarHBondContact O-N 2.95Å; T309-E311 VanDerWaalsContact O-N 3.11Å; T309-I312 HydrophobicContact CG2-CD1 4.42Å; T309-I312 PolarHBondContact O-N 3.33Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.49Å; T309-I312 PolarHBondContact OG1-N 3.23Å; T309-Q313 WeakPolarHBondContact O-CG 3.49Å; T309-Q313 PolarHBondContact O-N 3.4Å
310M94.2Very high93.2Very high140 Ų14067.1 Ų67.169%0.6934%0.338SS*.Hα-helixtrans-58-28.1178.2-177.1158.554.100112.9Q314M310-Q314 WeakPolarHBondContact O-CB 3.42Å; M310-Q314 VanDerWaalsContact O-CG 3.23Å; M310-Q314 WeakPolarHBondContact O-CG 3.32Å; M310-Q314 PolarHBondContact O-N 3.42Å
311E93.6Very high93.1Very high67 Ų6773.4 Ų73.431%0.31337%0.367SS..Hα-helixtrans-68.1-47.3171.4-176.9170.1-160.900112.2R47 T309 Q313 Q314 M315R47-E311 IonicContact CZ-OE1 3.21Å; R47-E311 IonicContact NE-OE1 2.71Å; R47-E311 VanDerWaalsContact NH2-CG 3.28Å; R47-E311 IonicContact NH2-OE1 3.36Å; R47-E311 PolarHBondContact NH2-OE1 2.94Å; T309-E311 PolarHBondContact O-N 2.95Å; T309-E311 VanDerWaalsContact O-N 3.11Å; E311-Q313 VanDerWaalsContact C-N 3.31Å; E311-Q313 PolarHBondContact O-N 2.9Å; E311-Q314 WeakPolarHBondContact O-CB 3.24Å; E311-Q314 PolarHBondContact O-N 3.18Å; E311-M315 HydrophobicContact CG-SD 4.09Å; E311-M315 WeakPolarHBondContact O-CG 3.38Å; E311-M315 PolarHBondContact O-N 3.4Å
312I94.3Very high93Very high33 Ų3377.4 Ų77.417%0.16939%0.386CS..Hα-helixtrans-63.6-39.6177.8-66.7168.6000110.5W50 I104 D308 T309 Q314 M315 K316W50-I312 HydrophobicContact CH2-CD1 4.33Å; W50-I312 HydrophobicContact CH2-CG1 4.03Å; I104-I312 HydrophobicContact CD1-CG2 3.99Å; D308-I312 HydrophobicContact CB-CB 4.17Å; D308-I312 HydrophobicContact CB-CG2 3.91Å; D308-I312 WeakPolarHBondContact OD1-CG2 3.38Å; T309-I312 HydrophobicContact CG2-CD1 4.42Å; T309-I312 PolarHBondContact O-N 3.33Å; T309-I312 WeakPolarHBondContact OG1-CG1 3.49Å; T309-I312 PolarHBondContact OG1-N 3.23Å; I312-Q314 PolarHBondContact O-N 3.41Å; I312-M315 PolarHBondContact O-N 2.93Å; I312-K316 HydrophobicContact CG2-CD 4.12Å; I312-K316 HydrophobicContact CG2-CG 4.38Å; I312-K316 WeakPolarHBondContact O-CB 3.39Å; I312-K316 WeakPolarHBondContact O-CG 3.39Å; I312-K316 PolarHBondContact O-N 3.23Å
313Q95.5Very high93Very high106 Ų10680.4 Ų80.450%0.49540%0.399SS..Hα-helixtrans-61.1-43174-66.5-179.727.800111.8D308 T309 E311 A317D308-Q313 HydrophobicContact CB-CG 3.69Å; D308-Q313 PolarHBondContact O-NE2 2.92Å; T309-Q313 WeakPolarHBondContact O-CG 3.49Å; T309-Q313 PolarHBondContact O-N 3.4Å; E311-Q313 VanDerWaalsContact C-N 3.31Å; E311-Q313 PolarHBondContact O-N 2.9Å; Q313-A317 VanDerWaalsContact O-CB 3.25Å; Q313-A317 WeakPolarHBondContact O-CB 3.45Å; Q313-A317 PolarHBondContact O-N 2.69Å
314Q96.4Very high92.9Very high112 Ų11279 Ų7952%0.52340%0.398SS..Hα-helixtrans-64.1-42174.5-75.7170.34.100112.1M310 E311 I312 A317 Q318M310-Q314 WeakPolarHBondContact O-CB 3.42Å; M310-Q314 VanDerWaalsContact O-CG 3.23Å; M310-Q314 WeakPolarHBondContact O-CG 3.32Å; M310-Q314 PolarHBondContact O-N 3.42Å; E311-Q314 WeakPolarHBondContact O-CB 3.24Å; E311-Q314 PolarHBondContact O-N 3.18Å; I312-Q314 PolarHBondContact O-N 3.41Å; Q314-A317 PolarHBondContact O-N 3.3Å; Q314-Q318 WeakPolarHBondContact O-CB 3.47Å; Q314-Q318 PolarHBondContact O-N 2.87Å
315M95.9Very high93Very high6 Ų684.3 Ų84.33%0.0342%0.418CS..Hα-helixtrans-62.8-47.7176.1-71170.958.700111.7R47 E48 W50 I104 Q105 E311 I312 A317 Q318 A319R47-M315 HydrophobicContact CB-CE 3.72Å; R47-M315 HydrophobicContact CB-SD 4.02Å; R47-M315 VanDerWaalsContact CZ-CG 3.47Å; E48-M315 HydrophobicContact CG-CE 3.51Å; W50-M315 HydrophobicContact CH2-CE 4.33Å; I104-M315 HydrophobicContact CD1-CB 4.36Å; I104-M315 HydrophobicContact CD1-CE 4.28Å; I104-M315 HydrophobicContact CG2-CB 3.9Å; I104-M315 WeakPolarHBondContact CG2-O 3.12Å; Q105-M315 HydrophobicContact CG-CE 4.29Å; E311-M315 HydrophobicContact CG-SD 4.09Å; E311-M315 WeakPolarHBondContact O-CG 3.38Å; E311-M315 PolarHBondContact O-N 3.4Å; I312-M315 PolarHBondContact O-N 2.93Å; M315-A317 VanDerWaalsContact C-N 3.33Å; M315-A317 PolarHBondContact O-N 2.76Å; M315-Q318 PolarHBondContact O-N 2.8Å; M315-A319 WeakPolarHBondContact O-CB 3.2Å; M315-A319 PolarHBondContact O-N 3.37Å
316K95.6Very high92.9Very high71 Ų7188.7 Ų88.731%0.30943%0.434SS..Hα-helixtrans-63.5-37.5176.6-73.3-178.8179.91760112I104 D308 I312 K320I104-K316 HydrophobicContact CD1-CG 3.85Å; I104-K316 HydrophobicContact CG1-CG 3.94Å; I104-K316 HydrophobicContact CG2-CG 4.15Å; D308-K316 IonicContact OD1-NZ 2.7Å; D308-K316 PolarHBondContact OD1-NZ 2.94Å; D308-K316 WeakPolarHBondContact OD2-CD 3.26Å; D308-K316 WeakPolarHBondContact OD2-CE 3.22Å; D308-K316 IonicContact OD2-NZ 3.82Å; D308-K316 PolarHBondContact OD2-NZ 2.95Å; I312-K316 HydrophobicContact CG2-CD 4.12Å; I312-K316 HydrophobicContact CG2-CG 4.38Å; I312-K316 WeakPolarHBondContact O-CB 3.39Å; I312-K316 WeakPolarHBondContact O-CG 3.39Å; I312-K316 PolarHBondContact O-N 3.23Å; K316-K320 WeakPolarHBondContact O-CB 3.3Å; K316-K320 PolarHBondContact O-N 2.59Å
317A95.8Very high93Very high57 Ų5788 Ų8847%0.47143%0.432SS..Hα-helixtrans-65-48.8174.800000111.8Q313 Q314 M315 K320 E321Q313-A317 VanDerWaalsContact O-CB 3.25Å; Q313-A317 WeakPolarHBondContact O-CB 3.45Å; Q313-A317 PolarHBondContact O-N 2.69Å; Q314-A317 PolarHBondContact O-N 3.3Å; M315-A317 VanDerWaalsContact C-N 3.33Å; M315-A317 PolarHBondContact O-N 2.76Å; A317-K320 PolarHBondContact O-N 3.07Å; A317-E321 WeakPolarHBondContact O-CB 3.36Å; A317-E321 PolarHBondContact O-N 2.92Å
318Q94.4Very high93.1Very high107 Ų10787.9 Ų87.950%0.542%0.424SS..Hα-helixtrans-59.9-49.8177.9-177.6-176.8-9.600111.6Q314 M315 K320 E321 E322Q314-Q318 WeakPolarHBondContact O-CB 3.47Å; Q314-Q318 PolarHBondContact O-N 2.87Å; M315-Q318 PolarHBondContact O-N 2.8Å; Q318-K320 VanDerWaalsContact C-N 3.29Å; Q318-K320 PolarHBondContact O-N 2.92Å; Q318-E321 PolarHBondContact O-N 3.27Å; Q318-E322 WeakPolarHBondContact O-CB 3.49Å; Q318-E322 PolarHBondContact O-N 3.35Å
319A93.2Very high93Very high32 Ų3289 Ų8926%0.26443%0.427SS..Hα-helixtrans-61.5-37.7178.600000112.1I104 M315 K323I104-A319 HydrophobicContact CG2-CB 3.84Å; I104-A319 WeakPolarHBondContact O-CB 3.47Å; M315-A319 WeakPolarHBondContact O-CB 3.2Å; M315-A319 PolarHBondContact O-N 3.37Å; A319-K323 VanDerWaalsContact O-CB 3.25Å; A319-K323 WeakPolarHBondContact O-CB 3.23Å; A319-K323 PolarHBondContact O-N 2.87Å
320K92.8Very high92.7Very high136 Ų13687.9 Ų87.959%0.59141%0.414SS*.Hα-helixtrans-67.6-43175.7-177.4175.9-179.3176.30112.5K316 A317 Q318 Q324K316-K320 WeakPolarHBondContact O-CB 3.3Å; K316-K320 PolarHBondContact O-N 2.59Å; A317-K320 PolarHBondContact O-N 3.07Å; Q318-K320 VanDerWaalsContact C-N 3.29Å; Q318-K320 PolarHBondContact O-N 2.92Å; K320-Q324 WeakPolarHBondContact O-CB 3.35Å; K320-Q324 VanDerWaalsContact O-CG 3.23Å; K320-Q324 WeakPolarHBondContact O-CG 3.45Å; K320-Q324 PolarHBondContact O-N 2.91Å
321E93.8Very high92.5Very high142 Ų14287.8 Ų87.866%0.66441%0.409SS*.Hα-helixtrans-62.8-47.3175.7-176178.4170.500111A317 Q318 Q324 R325A317-E321 WeakPolarHBondContact O-CB 3.36Å; A317-E321 PolarHBondContact O-N 2.92Å; Q318-E321 PolarHBondContact O-N 3.27Å; E321-Q324 PolarHBondContact O-N 2.55Å; E321-R325 PolarHBondContact O-N 3.18Å
322E91.6Very high92.4Very high84 Ų8491.2 Ų91.239%0.39342%0.423SS..Hα-helixtrans-63.4-45.8178.8-174.4168.4176.900111.9Q318 Q324 R325 R326Q318-E322 WeakPolarHBondContact O-CB 3.49Å; Q318-E322 PolarHBondContact O-N 3.35Å; E322-Q324 VanDerWaalsContact C-N 3.32Å; E322-Q324 PolarHBondContact O-N 3.48Å; E322-R325 PolarHBondContact O-N 2.99Å; E322-R326 WeakPolarHBondContact O-CG 3.38Å; E322-R326 PolarHBondContact O-N 2.76Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 2.79Å; E322-R326 PolarHBondContact OE1-NE 3.23Å; E322-R326 IonicContact OE1-NH2 2.7Å; E322-R326 PolarHBondContact OE1-NH2 2.88Å
323K89.4Confident92.2Very high73 Ų7396.2 Ų96.232%0.31744%0.444SS..Hα-helixtrans-63-37.6175.5-160.4178.3-168.984.10111.7D195 A319 Q327D195-K323 IonicContact OD2-NZ 2.84Å; D195-K323 PolarHBondContact OD2-NZ 2.77Å; A319-K323 VanDerWaalsContact O-CB 3.25Å; A319-K323 WeakPolarHBondContact O-CB 3.23Å; A319-K323 PolarHBondContact O-N 2.87Å; K323-Q327 WeakPolarHBondContact O-CB 3.32Å; K323-Q327 VanDerWaalsContact O-CG 3.27Å; K323-Q327 WeakPolarHBondContact O-CG 3.42Å; K323-Q327 PolarHBondContact O-N 3.28Å
324Q91.1Very high91.8Very high106 Ų10693.6 Ų93.650%0.49543%0.433SS..Hα-helixtrans-65.2-44173.7-78.4-179.5-6.700112.2K320 E321 E322 Q327 I328K320-Q324 WeakPolarHBondContact O-CB 3.35Å; K320-Q324 VanDerWaalsContact O-CG 3.23Å; K320-Q324 WeakPolarHBondContact O-CG 3.45Å; K320-Q324 PolarHBondContact O-N 2.91Å; E321-Q324 PolarHBondContact O-N 2.55Å; E322-Q324 VanDerWaalsContact C-N 3.32Å; E322-Q324 PolarHBondContact O-N 3.48Å; Q324-Q327 PolarHBondContact O-N 2.81Å; Q324-I328 WeakPolarHBondContact O-CG1 3.48Å; Q324-I328 PolarHBondContact O-N 3.19Å
325R93.1Very high91.6Very high150 Ų15097.1 Ų97.157%0.56644%0.442SS*.Hα-helixtrans-58.2-54.5175-178.6-174.6167.4-156.9-11.1110.9E321 E322 Q327 I328 E329E321-R325 PolarHBondContact O-N 3.18Å; E322-R325 PolarHBondContact O-N 2.99Å; R325-Q327 VanDerWaalsContact C-N 3.27Å; R325-Q327 PolarHBondContact O-N 3.01Å; R325-I328 WeakPolarHBondContact O-CB 3.46Å; R325-I328 PolarHBondContact O-N 3.07Å; R325-E329 IonicContact CZ-OE1 2.71Å; R325-E329 IonicContact NE-OE1 3.39Å; R325-E329 PolarHBondContact NE-OE1 2.72Å; R325-E329 IonicContact NE-OE2 3.51Å; R325-E329 IonicContact NH2-OE1 3.83Å; R325-E329 PolarHBondContact NH2-OE1 3.49Å; R325-E329 IonicContact NH2-OE2 2.6Å; R325-E329 PolarHBondContact O-N 3.15Å
326R88.7Confident91.4Very high94 Ų94102.1 Ų102.136%0.35547%0.465SS..Hα-helixtrans-57.1-38.8177.9-67.8177.9-175.2-163.312.2111.8E106 E322 E329 R330E106-R326 IonicContact OE1-CZ 3.16Å; E106-R326 IonicContact OE1-NE 2.62Å; E106-R326 IonicContact OE1-NH1 3.84Å; E106-R326 PolarHBondContact OE1-NH1 2.97Å; E106-R326 IonicContact OE1-NH2 3.22Å; E106-R326 PolarHBondContact OE1-NH2 3.29Å; E106-R326 IonicContact OE2-CZ 3.4Å; E106-R326 VanDerWaalsContact OE2-CZ 3.24Å; E106-R326 IonicContact OE2-NH1 3.96Å; E106-R326 PolarHBondContact OE2-NH1 3.03Å; E106-R326 IonicContact OE2-NH2 2.73Å; E106-R326 PolarHBondContact OE2-NH2 3.17Å; E322-R326 WeakPolarHBondContact O-CG 3.38Å; E322-R326 PolarHBondContact O-N 2.76Å; E322-R326 IonicContact OE1-CZ 2.74Å; E322-R326 IonicContact OE1-NE 2.79Å; E322-R326 PolarHBondContact OE1-NE 3.23Å; E322-R326 IonicContact OE1-NH2 2.7Å; E322-R326 PolarHBondContact OE1-NH2 2.88Å; R326-E329 PolarHBondContact O-N 3.13Å; R326-R330 VanDerWaalsContact O-CB 3.23Å; R326-R330 WeakPolarHBondContact O-CB 3.47Å; R326-R330 PolarHBondContact O-N 2.81Å
327Q88.7Confident91.2Very high64 Ų64102.6 Ų102.630%0.29947%0.467SS..Hα-helixtrans-67.5-34.4175.1-79.7-174.83.900113.8K323 Q324 R325 K331K323-Q327 WeakPolarHBondContact O-CB 3.32Å; K323-Q327 VanDerWaalsContact O-CG 3.27Å; K323-Q327 WeakPolarHBondContact O-CG 3.42Å; K323-Q327 PolarHBondContact O-N 3.28Å; Q324-Q327 PolarHBondContact O-N 2.81Å; R325-Q327 VanDerWaalsContact C-N 3.27Å; R325-Q327 PolarHBondContact O-N 3.01Å; Q327-K331 VanDerWaalsContact O-CB 3.26Å; Q327-K331 WeakPolarHBondContact O-CB 3.48Å; Q327-K331 WeakPolarHBondContact O-CD 3.27Å; Q327-K331 WeakPolarHBondContact O-CG 3.41Å; Q327-K331 PolarHBondContact O-N 3.34Å
328I91.5Very high90.9Very high120 Ų120106.4 Ų106.462%0.61547%0.473SS*.Hα-helixtrans-68-46.6174.5-69.6163.3000109.9Q324 R325 K331 K332Q324-I328 WeakPolarHBondContact O-CG1 3.48Å; Q324-I328 PolarHBondContact O-N 3.19Å; R325-I328 WeakPolarHBondContact O-CB 3.46Å; R325-I328 PolarHBondContact O-N 3.07Å; I328-K331 PolarHBondContact O-N 2.88Å; I328-K332 PolarHBondContact O-N 3.44Å
329E90Very high91Very high87 Ų87106.4 Ų106.441%0.40748%0.475SS..Hα-helixtrans-62.1-45.4178-69.8168.1167.500111.4R325 R326 K332 F333R325-E329 IonicContact CZ-OE1 2.71Å; R325-E329 IonicContact NE-OE1 3.39Å; R325-E329 PolarHBondContact NE-OE1 2.72Å; R325-E329 IonicContact NE-OE2 3.51Å; R325-E329 IonicContact NH2-OE1 3.83Å; R325-E329 PolarHBondContact NH2-OE1 3.49Å; R325-E329 IonicContact NH2-OE2 2.6Å; R325-E329 PolarHBondContact O-N 3.15Å; R326-E329 PolarHBondContact O-N 3.13Å; E329-K332 WeakPolarHBondContact O-CB 3.3Å; E329-K332 PolarHBondContact O-N 3.4Å; E329-F333 WeakPolarHBondContact O-CB 3.33Å; E329-F333 PolarHBondContact O-N 3.14Å
330R86.5Confident91Very high58 Ų58112.6 Ų112.622%0.21949%0.492CS..Hα-helixtrans-64.2-39174177.5161.1151.5-120.13.7113.1P191 E196 R326 F333 I334P191-R330 VanDerWaalsContact O-CZ 3.27Å; P191-R330 PolarHBondContact O-NE 3Å; P191-R330 VanDerWaalsContact O-NE 3.13Å; P191-R330 PolarHBondContact O-NH2 2.86Å; E196-R330 IonicContact OE1-CZ 3.63Å; E196-R330 IonicContact OE1-NH1 2.73Å; E196-R330 PolarHBondContact OE1-NH1 3.05Å; E196-R330 IonicContact OE1-NH2 3.58Å; E196-R330 IonicContact OE2-CZ 3.96Å; E196-R330 IonicContact OE2-NH1 2.91Å; E196-R330 PolarHBondContact OE2-NH1 3.06Å; E196-R330 IonicContact OE2-NH2 2.7Å; E196-R330 PolarHBondContact OE2-NH2 3.02Å; R326-R330 VanDerWaalsContact O-CB 3.23Å; R326-R330 WeakPolarHBondContact O-CB 3.47Å; R326-R330 PolarHBondContact O-N 2.81Å; R330-F333 PolarHBondContact O-N 3.1Å; R330-I334 HydrophobicContact CG-CD1 3.74Å; R330-I334 HydrophobicContact CG-CG1 4.39Å; R330-I334 WeakPolarHBondContact O-CB 3.34Å; R330-I334 VanDerWaalsContact O-CG1 3.3Å; R330-I334 WeakPolarHBondContact O-CG1 3.36Å; R330-I334 PolarHBondContact O-N 3.2Å
331K89.8Confident90.9Very high138 Ų138110.4 Ų110.460%0.648%0.484SS*.Hα-helixtrans-66.1-36.2173.9-77.9166.8-176166.10112.3Q327 I328 R335Q327-K331 VanDerWaalsContact O-CB 3.26Å; Q327-K331 WeakPolarHBondContact O-CB 3.48Å; Q327-K331 WeakPolarHBondContact O-CD 3.27Å; Q327-K331 WeakPolarHBondContact O-CG 3.41Å; Q327-K331 PolarHBondContact O-N 3.34Å; I328-K331 PolarHBondContact O-N 2.88Å; K331-R335 WeakPolarHBondContact O-CB 3.33Å; K331-R335 PolarHBondContact O-N 3.41Å
332K92.3Very high91Very high140 Ų140109 Ų10961%0.60948%0.476SS*.Hα-helixtrans-63.3-52.8170.5-174-161.7170.3-157.50110.1I328 E329 I334 R335 E336I328-K332 PolarHBondContact O-N 3.44Å; E329-K332 WeakPolarHBondContact O-CB 3.3Å; E329-K332 PolarHBondContact O-N 3.4Å; K332-I334 PolarHBondContact O-N 2.88Å; K332-R335 WeakPolarHBondContact O-CB 3.35Å; K332-R335 PolarHBondContact O-N 3.2Å; K332-R335 VanDerWaalsContact O-N 3.15Å; K332-E336 WeakPolarHBondContact CE-OE2 3.31Å; K332-E336 IonicContact NZ-OE2 2.76Å; K332-E336 WeakPolarHBondContact O-CB 3.5Å; K332-E336 PolarHBondContact O-N 3.26Å
333F89.1Confident91.2Very high137 Ų137107.6 Ų107.660%0.60148%0.478SS*.Hα-helixtrans-58.7-46.7-178.5179.8-100.5000113E329 R330 R335 E336 K337E329-F333 WeakPolarHBondContact O-CB 3.33Å; E329-F333 PolarHBondContact O-N 3.14Å; R330-F333 PolarHBondContact O-N 3.1Å; F333-R335 VanDerWaalsContact C-N 3.29Å; F333-R335 PolarHBondContact O-N 2.99Å; F333-E336 WeakPolarHBondContact O-CB 3.36Å; F333-E336 PolarHBondContact O-N 2.89Å; F333-E336 VanDerWaalsContact O-N 3.09Å; F333-K337 WeakPolarHBondContact O-CB 3.21Å; F333-K337 PolarHBondContact O-N 3.25Å
334I87.8Confident91.4Very high52 Ų52107.1 Ų107.127%0.26748%0.477SS..Hα-helixtrans-63.2-36.2177.5-68.3167.8000111.4P191 R330 K332 K338P191-I334 HydrophobicContact CB-CD1 4.18Å; P191-I334 HydrophobicContact CG-CD1 4.35Å; R330-I334 HydrophobicContact CG-CD1 3.74Å; R330-I334 HydrophobicContact CG-CG1 4.39Å; R330-I334 WeakPolarHBondContact O-CB 3.34Å; R330-I334 VanDerWaalsContact O-CG1 3.3Å; R330-I334 WeakPolarHBondContact O-CG1 3.36Å; R330-I334 PolarHBondContact O-N 3.2Å; K332-I334 PolarHBondContact O-N 2.88Å; I334-K338 HydrophobicContact CG2-CD 4.4Å; I334-K338 WeakPolarHBondContact O-CB 3.5Å; I334-K338 WeakPolarHBondContact O-CG 3.37Å; I334-K338 PolarHBondContact O-N 2.84Å; I334-K338 VanDerWaalsContact O-N 3.08Å
335R92Very high91.6Very high186 Ų186107.6 Ų107.670%0.70248%0.479SS*.Hα-helixtrans-67.4-37.1173.7-177.5176.6-178.7155.71.6111.7K331 K332 F333 L339K331-R335 WeakPolarHBondContact O-CB 3.33Å; K331-R335 PolarHBondContact O-N 3.41Å; K332-R335 WeakPolarHBondContact O-CB 3.35Å; K332-R335 PolarHBondContact O-N 3.2Å; K332-R335 VanDerWaalsContact O-N 3.15Å; F333-R335 VanDerWaalsContact C-N 3.29Å; F333-R335 PolarHBondContact O-N 2.99Å; R335-L339 HydrophobicContact CG-CD1 4.17Å; R335-L339 WeakPolarHBondContact O-CB 3.37Å; R335-L339 VanDerWaalsContact O-CG 3.27Å; R335-L339 WeakPolarHBondContact O-CG 3.41Å; R335-L339 PolarHBondContact O-N 3.38Å
336E92.7Very high91.7Very high110 Ų110104.9 Ų104.951%0.51447%0.473SS..Hα-helixtrans-70.9-45.5178.5-157.6165.9153.300111.4K332 F333 K338 L339 R340K332-E336 WeakPolarHBondContact CE-OE2 3.31Å; K332-E336 IonicContact NZ-OE2 2.76Å; K332-E336 WeakPolarHBondContact O-CB 3.5Å; K332-E336 PolarHBondContact O-N 3.26Å; F333-E336 WeakPolarHBondContact O-CB 3.36Å; F333-E336 PolarHBondContact O-N 2.89Å; F333-E336 VanDerWaalsContact O-N 3.09Å; E336-K338 PolarHBondContact O-N 3.33Å; E336-L339 PolarHBondContact O-N 3.44Å; E336-R340 WeakPolarHBondContact O-CB 3.41Å; E336-R340 PolarHBondContact O-N 2.98Å
337K90.3Very high92Very high81 Ų81107.3 Ų107.335%0.35248%0.482SS..Hα-helixtrans-51.3-53.8169.2175.7174.2172.1-177.50110.5E190 F333 L339 R340 E341E190-K337 IonicContact OE1-NZ 2.71Å; E190-K337 PolarHBondContact OE1-NZ 3.2Å; E190-K337 VanDerWaalsContact OE1-NZ 3.09Å; F333-K337 WeakPolarHBondContact O-CB 3.21Å; F333-K337 PolarHBondContact O-N 3.25Å; K337-L339 PolarHBondContact O-N 3.43Å; K337-R340 WeakPolarHBondContact O-CB 3.43Å; K337-R340 PolarHBondContact O-N 3.3Å; K337-R340 VanDerWaalsContact O-N 3.12Å; K337-E341 WeakPolarHBondContact CE-OE1 3.46Å; K337-E341 HydrophobicContact CG-CG 4.4Å; K337-E341 WeakPolarHBondContact CG-OE1 3.23Å; K337-E341 VanDerWaalsContact O-CG 3.29Å; K337-E341 WeakPolarHBondContact O-CG 3.44Å; K337-E341 PolarHBondContact O-N 2.86Å
338K91.2Very high92.3Very high137 Ų137110.6 Ų110.660%0.59649%0.493SS*.Hα-helixtrans-65.9-32.3-179.8-71.1-175.3178.2-166.30114.9I334 E336 E341 K342I334-K338 HydrophobicContact CG2-CD 4.4Å; I334-K338 WeakPolarHBondContact O-CB 3.5Å; I334-K338 WeakPolarHBondContact O-CG 3.37Å; I334-K338 PolarHBondContact O-N 2.84Å; I334-K338 VanDerWaalsContact O-N 3.08Å; E336-K338 PolarHBondContact O-N 3.33Å; K338-E341 WeakPolarHBondContact CA-OE2 3.48Å; K338-K342 WeakPolarHBondContact O-CB 3.3Å; K338-K342 PolarHBondContact O-N 2.96Å
339L94.9Very high92.5Very high107 Ų107108.4 Ų108.456%0.5648%0.48SS*.Hα-helixtrans-70.3-37.4172.6-77169000111.5R335 E336 K337 A343R335-L339 HydrophobicContact CG-CD1 4.17Å; R335-L339 WeakPolarHBondContact O-CB 3.37Å; R335-L339 VanDerWaalsContact O-CG 3.27Å; R335-L339 WeakPolarHBondContact O-CG 3.41Å; R335-L339 PolarHBondContact O-N 3.38Å; E336-L339 PolarHBondContact O-N 3.44Å; K337-L339 PolarHBondContact O-N 3.43Å; L339-A343 WeakPolarHBondContact O-CB 3.39Å; L339-A343 PolarHBondContact O-N 2.91Å
340R94.1Very high92.8Very high163 Ų163109.8 Ų109.862%0.61549%0.489SS*.Hα-helixtrans-67.6-51.1176-176.5-179.3178.5118.212.5112E336 K337 K342 A343 E344E336-R340 WeakPolarHBondContact O-CB 3.41Å; E336-R340 PolarHBondContact O-N 2.98Å; K337-R340 WeakPolarHBondContact O-CB 3.43Å; K337-R340 PolarHBondContact O-N 3.3Å; K337-R340 VanDerWaalsContact O-N 3.12Å; R340-K342 VanDerWaalsContact C-N 3.25Å; R340-K342 PolarHBondContact O-N 3.46Å; R340-A343 PolarHBondContact O-N 3.36Å; R340-E344 HydrophobicContact CG-CG 4.33Å; R340-E344 IonicContact CZ-OE1 3.14Å; R340-E344 IonicContact NE-OE1 3.24Å; R340-E344 PolarHBondContact NE-OE1 3.49Å; R340-E344 IonicContact NE-OE2 2.62Å; R340-E344 PolarHBondContact NE-OE2 2.63Å; R340-E344 IonicContact NH2-OE1 3.39Å; R340-E344 PolarHBondContact NH2-OE1 2.62Å; R340-E344 WeakPolarHBondContact O-CG 3.29Å; R340-E344 PolarHBondContact O-N 3.35Å
341E91.5Very high93.2Very high89 Ų89112.8 Ų112.842%0.41651%0.506SS..Hα-helixtrans-52.3-45.9176-71162.8167.600110.9K337 K338 E344 H345K337-E341 WeakPolarHBondContact CE-OE1 3.46Å; K337-E341 HydrophobicContact CG-CG 4.4Å; K337-E341 WeakPolarHBondContact CG-OE1 3.23Å; K337-E341 VanDerWaalsContact O-CG 3.29Å; K337-E341 WeakPolarHBondContact O-CG 3.44Å; K337-E341 PolarHBondContact O-N 2.86Å; K338-E341 WeakPolarHBondContact CA-OE2 3.48Å; E341-E344 PolarHBondContact O-N 3.48Å; E341-H345 WeakPolarHBondContact O-CB 3.45Å; E341-H345 PolarHBondContact O-N 3.34Å
342K94.9Very high93.5Very high114 Ų114110.8 Ų110.850%0.49650%0.497SS..Hα-helixtrans-61.7-46.6174.7178.2170.5-175.3-76.80112.5K338 R340 E344 H345 E346K338-K342 WeakPolarHBondContact O-CB 3.3Å; K338-K342 PolarHBondContact O-N 2.96Å; R340-K342 VanDerWaalsContact C-N 3.25Å; R340-K342 PolarHBondContact O-N 3.46Å; K342-E344 VanDerWaalsContact C-N 3.33Å; K342-E344 PolarHBondContact O-N 3.11Å; K342-H345 PolarHBondContact O-N 3.45Å; K342-E346 WeakPolarHBondContact CE-OE1 3.32Å; K342-E346 HydrophobicContact CG-CG 4.41Å; K342-E346 IonicContact NZ-OE1 2.78Å; K342-E346 PolarHBondContact NZ-OE1 3.04Å; K342-E346 IonicContact NZ-OE2 2.81Å; K342-E346 PolarHBondContact NZ-OE2 3.33Å; K342-E346 WeakPolarHBondContact O-CB 3.35Å; K342-E346 WeakPolarHBondContact O-CG 3.45Å; K342-E346 PolarHBondContact O-N 3Å
343A95.3Very high93.7Very high53 Ų53107 Ų10744%0.43849%0.488SS..Hα-helixtrans-67.1-33.2-179.600000112.8L339 R340 R347L339-A343 WeakPolarHBondContact O-CB 3.39Å; L339-A343 PolarHBondContact O-N 2.91Å; R340-A343 PolarHBondContact O-N 3.36Å; A343-R347 WeakPolarHBondContact O-CB 3.45Å; A343-R347 PolarHBondContact O-N 2.91Å
344E93.9Very high93.9Very high64 Ų64105.8 Ų105.830%0.29949%0.486SS..Hα-helixtrans-72-36.7175.4-71.8175.6151.600111.5R340 E341 K342 Y348R340-E344 HydrophobicContact CG-CG 4.33Å; R340-E344 IonicContact CZ-OE1 3.14Å; R340-E344 IonicContact NE-OE1 3.24Å; R340-E344 PolarHBondContact NE-OE1 3.49Å; R340-E344 IonicContact NE-OE2 2.62Å; R340-E344 PolarHBondContact NE-OE2 2.63Å; R340-E344 IonicContact NH2-OE1 3.39Å; R340-E344 PolarHBondContact NH2-OE1 2.62Å; R340-E344 WeakPolarHBondContact O-CG 3.29Å; R340-E344 PolarHBondContact O-N 3.35Å; E341-E344 PolarHBondContact O-N 3.48Å; K342-E344 VanDerWaalsContact C-N 3.33Å; K342-E344 PolarHBondContact O-N 3.11Å; E344-Y348 WeakPolarHBondContact O-CB 3.35Å; E344-Y348 PolarHBondContact O-N 3.1Å
345H94.7Very high94.3Very high115 Ų115109 Ų10953%0.53250%0.5SS..Hα-helixtrans-67.6-44.4170.4-178.855.2000112.9E341 K342 R347 Y348 E349E341-H345 WeakPolarHBondContact O-CB 3.45Å; E341-H345 PolarHBondContact O-N 3.34Å; K342-H345 PolarHBondContact O-N 3.45Å; H345-R347 VanDerWaalsContact C-N 3.3Å; H345-R347 PolarHBondContact O-N 2.86Å; H345-Y348 PolarHBondContact O-N 3.28Å; H345-E349 PolarHBondContact O-N 3.22Å
346E95.7Very high94.4Very high94 Ų94105.9 Ų105.944%0.43949%0.493SS..Hα-helixtrans-62-37.4175-76.4178.9144.500111.7K342 L350K342-E346 WeakPolarHBondContact CE-OE1 3.32Å; K342-E346 HydrophobicContact CG-CG 4.41Å; K342-E346 IonicContact NZ-OE1 2.78Å; K342-E346 PolarHBondContact NZ-OE1 3.04Å; K342-E346 IonicContact NZ-OE2 2.81Å; K342-E346 PolarHBondContact NZ-OE2 3.33Å; K342-E346 WeakPolarHBondContact O-CB 3.35Å; K342-E346 WeakPolarHBondContact O-CG 3.45Å; K342-E346 PolarHBondContact O-N 3Å; E346-L350 WeakPolarHBondContact O-CB 3.34Å; E346-L350 VanDerWaalsContact O-CG 3.29Å; E346-L350 WeakPolarHBondContact O-CG 3.27Å; E346-L350 PolarHBondContact O-N 2.8Å; E346-L350 VanDerWaalsContact O-N 3.11Å
347R95.6Very high94.5Very high144 Ų144105.3 Ų105.354%0.54349%0.493SS..Hα-helixtrans-63.5-45.8171.9-171.4-172.373.8-138.1-4.6111.8A343 H345 L350 E351A343-R347 WeakPolarHBondContact O-CB 3.45Å; A343-R347 PolarHBondContact O-N 2.91Å; H345-R347 VanDerWaalsContact C-N 3.3Å; H345-R347 PolarHBondContact O-N 2.86Å; R347-L350 PolarHBondContact O-N 3.45Å; R347-E351 WeakPolarHBondContact O-CB 3.3Å; R347-E351 PolarHBondContact O-N 2.92Å
348Y94.7Very high94.8Very high134 Ų134106.9 Ų106.953%0.52550%0.501SS..Hα-helixtrans-61.1-45.6-179.3171.5-98.5000112.5E344 H345 E351 K352E344-Y348 WeakPolarHBondContact O-CB 3.35Å; E344-Y348 PolarHBondContact O-N 3.1Å; H345-Y348 PolarHBondContact O-N 3.28Å; Y348-E351 PolarHBondContact O-N 2.99Å; Y348-K352 HydrophobicContact CE1-CD 4.11Å; Y348-K352 VanDerWaalsContact O-CB 3.26Å; Y348-K352 WeakPolarHBondContact O-CB 3.42Å; Y348-K352 PolarHBondContact O-N 3.46Å
349E95.8Very high94.9Very high74 Ų74103.1 Ų103.135%0.34649%0.488SS..Hα-helixtrans-69.4-32176.8-70-62.5136.700112.5H345 K352 S353H345-E349 PolarHBondContact O-N 3.22Å; E349-K352 IonicContact OE1-NZ 3.64Å; E349-K352 PolarHBondContact OE1-NZ 3.39Å; E349-K352 IonicContact OE2-NZ 2.71Å; E349-K352 PolarHBondContact OE2-NZ 3.1Å; E349-S353 WeakPolarHBondContact O-CB 3.46Å; E349-S353 PolarHBondContact O-N 3.49Å
350L95.8Very high95Very high115 Ų115103.1 Ų103.160%0.60249%0.485SS*.Hα-helixtrans-66.3-43.6170.8-78170000112.5E346 R347 S353 M354E346-L350 WeakPolarHBondContact O-CB 3.34Å; E346-L350 VanDerWaalsContact O-CG 3.29Å; E346-L350 WeakPolarHBondContact O-CG 3.27Å; E346-L350 PolarHBondContact O-N 2.8Å; E346-L350 VanDerWaalsContact O-N 3.11Å; R347-L350 PolarHBondContact O-N 3.45Å; L350-S353 PolarHBondContact O-N 2.92Å; L350-M354 WeakPolarHBondContact O-CB 3.29Å; L350-M354 WeakPolarHBondContact O-CG 3.39Å; L350-M354 PolarHBondContact O-N 2.86Å
351E95.4Very high95Very high122 Ų122101.2 Ų101.257%0.5748%0.484SS*.Hα-helixtrans-62.1-47.2179.1-177.3167.3-162.500111.3R347 Y348 S353 M354 E355R347-E351 WeakPolarHBondContact O-CB 3.3Å; R347-E351 PolarHBondContact O-N 2.92Å; Y348-E351 PolarHBondContact O-N 2.99Å; E351-S353 PolarHBondContact O-N 3.22Å; E351-M354 WeakPolarHBondContact O-CB 3.22Å; E351-M354 PolarHBondContact O-N 3.1Å; E351-E355 PolarHBondContact O-N 3.48Å
352K96Very high95.2Very high96 Ų96104.2 Ų104.242%0.41749%0.492SS..Hα-helixtrans-61.6-38.3173176.1178.9160.6-143.40113.2Y348 E349 H356Y348-K352 HydrophobicContact CE1-CD 4.11Å; Y348-K352 VanDerWaalsContact O-CB 3.26Å; Y348-K352 WeakPolarHBondContact O-CB 3.42Å; Y348-K352 PolarHBondContact O-N 3.46Å; E349-K352 IonicContact OE1-NZ 3.64Å; E349-K352 PolarHBondContact OE1-NZ 3.39Å; E349-K352 IonicContact OE2-NZ 2.71Å; E349-K352 PolarHBondContact OE2-NZ 3.1Å; K352-H356 PolarHBondContact O-N 3.47Å; K352-H356 VanDerWaalsContact O-N 3.08Å
353S96Very high95.3Very high59 Ų59105.4 Ų105.441%0.41350%0.501SS..Hα-helixtrans-68.3-39.8173.6-174.10000112.1E349 L350 E351 H356 L357E349-S353 WeakPolarHBondContact O-CB 3.46Å; E349-S353 PolarHBondContact O-N 3.49Å; L350-S353 PolarHBondContact O-N 2.92Å; E351-S353 PolarHBondContact O-N 3.22Å; S353-H356 PolarHBondContact O-N 2.83Å; S353-L357 WeakPolarHBondContact O-CG 3.23Å; S353-L357 PolarHBondContact O-N 2.95Å
354M93.8Very high95.3Very high113 Ų113105.6 Ų105.656%0.55750%0.503SS*.Hα-helixtrans-64.9-41.2173.5-76-179.961.800112.2L350 E351 H356 L357 Q358L350-M354 WeakPolarHBondContact O-CB 3.29Å; L350-M354 WeakPolarHBondContact O-CG 3.39Å; L350-M354 PolarHBondContact O-N 2.86Å; E351-M354 WeakPolarHBondContact O-CB 3.22Å; E351-M354 PolarHBondContact O-N 3.1Å; M354-H356 VanDerWaalsContact C-N 3.34Å; M354-L357 PolarHBondContact O-N 3.03Å; M354-Q358 WeakPolarHBondContact O-CB 3.46Å; M354-Q358 VanDerWaalsContact O-CG 3.25Å; M354-Q358 WeakPolarHBondContact O-CG 3.19Å; M354-Q358 PolarHBondContact O-N 2.98Å
355E95.9Very high95.3Very high120 Ų120106.8 Ų106.856%0.56151%0.511SS*.Hα-helixtrans-60.2-44.5173.6-175.8-176.8-16900111.2E351 Q358 N359E351-E355 PolarHBondContact O-N 3.48Å; E355-Q358 PolarHBondContact O-N 3.28Å; E355-N359 WeakPolarHBondContact O-CB 3.32Å; E355-N359 PolarHBondContact O-N 3.18Å; E355-N359 PolarHBondContact O-ND2 3.32Å
356H94.6Very high95.4Very high119 Ų119103.9 Ų103.955%0.55150%0.499SS*.Hα-helixtrans-59-52.2176.7-17165.1000111.7K352 S353 M354 Q358 N359 E360K352-H356 PolarHBondContact O-N 3.47Å; K352-H356 VanDerWaalsContact O-N 3.08Å; S353-H356 PolarHBondContact O-N 2.83Å; M354-H356 VanDerWaalsContact C-N 3.34Å; H356-Q358 VanDerWaalsContact C-N 3.34Å; H356-Q358 PolarHBondContact O-N 2.62Å; H356-N359 PolarHBondContact O-N 3.29Å; H356-N359 VanDerWaalsContact O-N 3.11Å; H356-E360 PolarHBondContact O-N 3.41Å
357L95.3Very high95.4Very high99 Ų99101.9 Ų101.952%0.51850%0.499SS..Hα-helixtrans-62.7-36.3178.4-72.1169.8000113S353 M354 N359 M361S353-L357 WeakPolarHBondContact O-CG 3.23Å; S353-L357 PolarHBondContact O-N 2.95Å; M354-L357 PolarHBondContact O-N 3.03Å; L357-N359 VanDerWaalsContact C-N 3.33Å; L357-M361 VanDerWaalsContact O-CB 3.29Å; L357-M361 WeakPolarHBondContact O-CB 3.25Å; L357-M361 PolarHBondContact O-N 3.29Å
358Q95.3Very high95.4Very high114 Ų11499.4 Ų99.453%0.53350%0.496SS..Hα-helixtrans-65.6-37.3173.8-77178.621.100111.9M354 E355 H356 R362M354-Q358 WeakPolarHBondContact O-CB 3.46Å; M354-Q358 VanDerWaalsContact O-CG 3.25Å; M354-Q358 WeakPolarHBondContact O-CG 3.19Å; M354-Q358 PolarHBondContact O-N 2.98Å; E355-Q358 PolarHBondContact O-N 3.28Å; H356-Q358 VanDerWaalsContact C-N 3.34Å; H356-Q358 PolarHBondContact O-N 2.62Å; Q358-R362 VanDerWaalsContact O-CB 3.32Å; Q358-R362 WeakPolarHBondContact O-CB 3.11Å; Q358-R362 PolarHBondContact O-N 2.78Å
359N94.9Very high95.4Very high58 Ų5898.8 Ų98.831%0.3149%0.493SS..Hα-helixtrans-73.3-38.9176.7-72.7-35.3000112.1E355 H356 L357 R362 M363E355-N359 WeakPolarHBondContact O-CB 3.32Å; E355-N359 PolarHBondContact O-N 3.18Å; E355-N359 PolarHBondContact O-ND2 3.32Å; H356-N359 PolarHBondContact O-N 3.29Å; H356-N359 VanDerWaalsContact O-N 3.11Å; L357-N359 VanDerWaalsContact C-N 3.33Å; N359-R362 WeakPolarHBondContact O-CB 3.49Å; N359-R362 PolarHBondContact O-N 2.81Å; N359-R362 PolarHBondContact OD1-NE 3.1Å; N359-R362 PolarHBondContact OD1-NH2 3.46Å; N359-R362 VanDerWaalsContact OD1-NH2 3.08Å; N359-M363 WeakPolarHBondContact O-CG 3.36Å; N359-M363 PolarHBondContact O-N 3.23Å
360E95.3Very high95.3Very high106 Ų106101.3 Ų101.350%0.49550%0.499SS..Hα-helixtrans-60.2-47.6169.3-71.4-161.9111.300111.8H356 R362 M363 A364H356-E360 PolarHBondContact O-N 3.41Å; E360-R362 VanDerWaalsContact C-N 3.3Å; E360-R362 PolarHBondContact O-N 2.85Å; E360-M363 PolarHBondContact O-N 2.91Å; E360-A364 WeakPolarHBondContact O-CB 3.38Å; E360-A364 PolarHBondContact O-N 2.86Å
361M94.8Very high95.2Very high123 Ų12399.3 Ų99.361%0.60649%0.494SS*.Hα-helixtrans-61.6-38.1177.4-173.4-178.4-176.500112L357 A364 N365L357-M361 VanDerWaalsContact O-CB 3.29Å; L357-M361 WeakPolarHBondContact O-CB 3.25Å; L357-M361 PolarHBondContact O-N 3.29Å; M361-A364 PolarHBondContact O-N 2.87Å; M361-N365 WeakPolarHBondContact O-CB 3.49Å; M361-N365 VanDerWaalsContact O-CG 3.29Å; M361-N365 PolarHBondContact O-N 2.93Å; M361-N365 PolarHBondContact O-ND2 3.44Å
362R96.1Very high95.2Very high152 Ų15298 Ų9857%0.57449%0.488SS*.Hα-helixtrans-62.2-48.2173.7-165.7-165.9-45.9-122.55.7111Q358 N359 E360 A364 N365 D366Q358-R362 VanDerWaalsContact O-CB 3.32Å; Q358-R362 WeakPolarHBondContact O-CB 3.11Å; Q358-R362 PolarHBondContact O-N 2.78Å; N359-R362 WeakPolarHBondContact O-CB 3.49Å; N359-R362 PolarHBondContact O-N 2.81Å; N359-R362 PolarHBondContact OD1-NE 3.1Å; N359-R362 PolarHBondContact OD1-NH2 3.46Å; N359-R362 VanDerWaalsContact OD1-NH2 3.08Å; E360-R362 VanDerWaalsContact C-N 3.3Å; E360-R362 PolarHBondContact O-N 2.85Å; R362-A364 VanDerWaalsContact C-N 3.35Å; R362-A364 PolarHBondContact O-N 3.26Å; R362-N365 PolarHBondContact O-N 3.29Å; R362-D366 WeakPolarHBondContact O-CB 3.43Å; R362-D366 PolarHBondContact O-N 3.41Å
363M95.7Very high95.1Very high140 Ų14097.6 Ų97.669%0.6949%0.488SS*.Hα-helixtrans-62.6-40177.2-72.717863.800112.2N359 E360 A367N359-M363 WeakPolarHBondContact O-CG 3.36Å; N359-M363 PolarHBondContact O-N 3.23Å; E360-M363 PolarHBondContact O-N 2.91Å; M363-A367 VanDerWaalsContact O-CB 3.27Å; M363-A367 WeakPolarHBondContact O-CB 3.32Å; M363-A367 PolarHBondContact O-N 2.71Å
364A95.7Very high95Very high57 Ų5798.2 Ų98.247%0.47149%0.489SS..Hα-helixtrans-66.1-44.3176.400000112.2E360 M361 R362 A367 L368E360-A364 WeakPolarHBondContact O-CB 3.38Å; E360-A364 PolarHBondContact O-N 2.86Å; M361-A364 PolarHBondContact O-N 2.87Å; R362-A364 VanDerWaalsContact C-N 3.35Å; R362-A364 PolarHBondContact O-N 3.26Å; A364-A367 PolarHBondContact O-N 2.79Å; A364-L368 WeakPolarHBondContact O-CB 3.36Å; A364-L368 PolarHBondContact O-N 2.94Å
365N95.1Very high94.9Very high88 Ų8898.9 Ų98.947%0.47149%0.489SS..Hα-helixtrans-64.2-42.9175.7-76-21.8000112M361 R362 A367 L368 R369M361-N365 WeakPolarHBondContact O-CB 3.49Å; M361-N365 VanDerWaalsContact O-CG 3.29Å; M361-N365 PolarHBondContact O-N 2.93Å; M361-N365 PolarHBondContact O-ND2 3.44Å; R362-N365 PolarHBondContact O-N 3.29Å; N365-A367 VanDerWaalsContact C-N 3.32Å; N365-A367 PolarHBondContact O-N 2.76Å; N365-L368 PolarHBondContact O-N 2.84Å; N365-R369 WeakPolarHBondContact O-CB 3.33Å; N365-R369 PolarHBondContact O-N 3.48Å
366D95.5Very high94.8Very high54 Ų5499.7 Ų99.729%0.28949%0.493SS..Hα-helixtrans-65.7-33.6174.1-97.7-23.2000112.1R362 R369 R370R362-D366 WeakPolarHBondContact O-CB 3.43Å; R362-D366 PolarHBondContact O-N 3.41Å; D366-R369 IonicContact OD1-CZ 2.8Å; D366-R369 IonicContact OD1-NH1 3.18Å; D366-R369 PolarHBondContact OD1-NH1 2.91Å; D366-R370 VanDerWaalsContact O-CG 3.29Å; D366-R370 WeakPolarHBondContact O-CG 3.34Å; D366-R370 PolarHBondContact O-N 3.08Å; D366-R370 VanDerWaalsContact O-N 3.14Å; D366-R370 PolarHBondContact O-NH1 2.83Å; D366-R370 IonicContact OD2-NH2 2.65Å
367A95.8Very high94.7Very high53 Ų5399.5 Ų99.544%0.43850%0.495SS..Hα-helixtrans-70.4-41.9174.300000111.9M363 A364 N365 R370 S371M363-A367 VanDerWaalsContact O-CB 3.27Å; M363-A367 WeakPolarHBondContact O-CB 3.32Å; M363-A367 PolarHBondContact O-N 2.71Å; A364-A367 PolarHBondContact O-N 2.79Å; N365-A367 VanDerWaalsContact C-N 3.32Å; N365-A367 PolarHBondContact O-N 2.76Å; A367-R370 PolarHBondContact O-N 2.97Å; A367-S371 WeakPolarHBondContact O-CB 3.37Å; A367-S371 PolarHBondContact O-N 2.85Å
368L95.6Very high94.6Very high92 Ų92102.1 Ų102.148%0.48250%0.5SS..Hα-helixtrans-60.2-50.6173.4177.759.8000110.7A364 N365 R370 S371 E372A364-L368 WeakPolarHBondContact O-CB 3.36Å; A364-L368 PolarHBondContact O-N 2.94Å; N365-L368 PolarHBondContact O-N 2.84Å; L368-R370 VanDerWaalsContact C-N 3.35Å; L368-R370 PolarHBondContact O-N 3.06Å; L368-S371 CarbonylContact O-C 3.55Å; L368-S371 WeakPolarHBondContact O-CA 3.46Å; L368-S371 VanDerWaalsContact O-CB 3.27Å; L368-S371 WeakPolarHBondContact O-CB 3.5Å; L368-S371 PolarHBondContact O-N 2.89Å; L368-E372 HydrophobicContact CD1-CG 4.17Å; L368-E372 HydrophobicContact CG-CG 4.48Å; L368-E372 WeakPolarHBondContact O-CG 3.3Å; L368-E372 PolarHBondContact O-N 3.09Å
369R94.9Very high94.4Very high121 Ų121103.6 Ų103.646%0.45750%0.504SS..Hα-helixtrans-59.1-44179.9-156.2-170.678.3-115.6-8.6111.9N365 D366 S371 E372 E373N365-R369 WeakPolarHBondContact O-CB 3.33Å; N365-R369 PolarHBondContact O-N 3.48Å; D366-R369 IonicContact OD1-CZ 2.8Å; D366-R369 IonicContact OD1-NH1 3.18Å; D366-R369 PolarHBondContact OD1-NH1 2.91Å; R369-S371 VanDerWaalsContact C-N 3.29Å; R369-S371 PolarHBondContact O-N 3.02Å; R369-E372 PolarHBondContact O-N 3.36Å; R369-E373 IonicContact CZ-OE1 2.81Å; R369-E373 IonicContact NE-OE1 3.72Å; R369-E373 PolarHBondContact NE-OE1 3.01Å; R369-E373 IonicContact NH2-OE1 2.63Å; R369-E373 PolarHBondContact NH2-OE1 3.1Å; R369-E373 VanDerWaalsContact NH2-OE1 3.16Å; R369-E373 WeakPolarHBondContact O-CB 3.39Å; R369-E373 WeakPolarHBondContact O-CG 3.44Å; R369-E373 PolarHBondContact O-N 3.41Å
370R94.7Very high94.3Very high127 Ų127105 Ų10548%0.47951%0.509SS..Hα-helixtrans-62.2-34.7173.3-71.5-178.8-152.897.7-1.6112.7D366 A367 L368 T374D366-R370 VanDerWaalsContact O-CG 3.29Å; D366-R370 WeakPolarHBondContact O-CG 3.34Å; D366-R370 PolarHBondContact O-N 3.08Å; D366-R370 VanDerWaalsContact O-N 3.14Å; D366-R370 PolarHBondContact O-NH1 2.83Å; D366-R370 IonicContact OD2-NH2 2.65Å; A367-R370 PolarHBondContact O-N 2.97Å; L368-R370 VanDerWaalsContact C-N 3.35Å; L368-R370 PolarHBondContact O-N 3.06Å; R370-T374 WeakPolarHBondContact O-CB 3.48Å; R370-T374 PolarHBondContact O-N 3.37Å; R370-T374 PolarHBondContact O-OG1 3.27Å
371S93.4Very high94.3Very high72 Ų72106.6 Ų106.650%0.50351%0.514SS..Hα-helixtrans-70.1-36.5175.8-166.90000112A367 L368 R369 K375A367-S371 WeakPolarHBondContact O-CB 3.37Å; A367-S371 PolarHBondContact O-N 2.85Å; L368-S371 CarbonylContact O-C 3.55Å; L368-S371 WeakPolarHBondContact O-CA 3.46Å; L368-S371 VanDerWaalsContact O-CB 3.27Å; L368-S371 WeakPolarHBondContact O-CB 3.5Å; L368-S371 PolarHBondContact O-N 2.89Å; R369-S371 VanDerWaalsContact C-N 3.29Å; R369-S371 PolarHBondContact O-N 3.02Å; S371-K375 WeakPolarHBondContact O-CB 3.42Å; S371-K375 PolarHBondContact O-N 3.13Å
372E94.4Very high94.2Very high94 Ų94104.2 Ų104.244%0.43951%0.51SS..Hα-helixtrans-69.9-50.6174.5-69175.5144.600111.3L368 R369 T374 K375 E376L368-E372 HydrophobicContact CD1-CG 4.17Å; L368-E372 HydrophobicContact CG-CG 4.48Å; L368-E372 WeakPolarHBondContact O-CG 3.3Å; L368-E372 PolarHBondContact O-N 3.09Å; R369-E372 PolarHBondContact O-N 3.36Å; E372-T374 PolarHBondContact O-N 2.99Å; E372-K375 WeakPolarHBondContact O-CB 3.46Å; E372-K375 PolarHBondContact O-N 3.36Å; E372-K375 VanDerWaalsContact O-N 3.07Å; E372-E376 WeakPolarHBondContact O-CG 3.49Å; E372-E376 PolarHBondContact O-N 3.35Å
373E94Very high94.1Very high89 Ų89102.7 Ų102.742%0.41650%0.504SS..Hα-helixtrans-50.2-45170.6-71163.5-174.200111.2R369 L377R369-E373 IonicContact CZ-OE1 2.81Å; R369-E373 IonicContact NE-OE1 3.72Å; R369-E373 PolarHBondContact NE-OE1 3.01Å; R369-E373 IonicContact NH2-OE1 2.63Å; R369-E373 PolarHBondContact NH2-OE1 3.1Å; R369-E373 VanDerWaalsContact NH2-OE1 3.16Å; R369-E373 WeakPolarHBondContact O-CB 3.39Å; R369-E373 WeakPolarHBondContact O-CG 3.44Å; R369-E373 PolarHBondContact O-N 3.41Å; E373-L377 WeakPolarHBondContact O-CB 3.28Å; E373-L377 PolarHBondContact O-N 2.85Å; E373-L377 VanDerWaalsContact O-N 3.11Å
374T93.6Very high93.9Very high71 Ų7198.6 Ų98.644%0.43649%0.487SS..Hα-helixtrans-67.9-42.4177.7-64.10000112.4R370 E372 L377 Y378R370-T374 WeakPolarHBondContact O-CB 3.48Å; R370-T374 PolarHBondContact O-N 3.37Å; R370-T374 PolarHBondContact O-OG1 3.27Å; E372-T374 PolarHBondContact O-N 2.99Å; T374-L377 PolarHBondContact O-N 2.96Å; T374-Y378 HydrophobicContact CG2-CD2 3.74Å; T374-Y378 HydrophobicContact CG2-CE2 3.49Å; T374-Y378 VanDerWaalsContact CG2-CE2 3.49Å; T374-Y378 WeakPolarHBondContact O-CD2 3.36Å; T374-Y378 PolarHBondContact O-N 2.94Å
375K92.7Very high93.7Very high127 Ų127100.9 Ų100.955%0.55249%0.491SS*.Hα-helixtrans-64-46.1178.7173.4-173.5170.1-163.70110.9S371 E372 L377 Y378 F379S371-K375 WeakPolarHBondContact O-CB 3.42Å; S371-K375 PolarHBondContact O-N 3.13Å; E372-K375 WeakPolarHBondContact O-CB 3.46Å; E372-K375 PolarHBondContact O-N 3.36Å; E372-K375 VanDerWaalsContact O-N 3.07Å; K375-L377 VanDerWaalsContact C-N 3.35Å; K375-Y378 PolarHBondContact O-N 3.2Å; K375-F379 HydrophobicContact CG-CD2 3.92Å; K375-F379 HydrophobicContact CG-CE2 3.88Å; K375-F379 WeakPolarHBondContact O-CD2 3.33Å; K375-F379 PolarHBondContact O-N 2.91Å
376E93.3Very high93.6Very high138 Ų138101.3 Ų101.365%0.64549%0.49SS*.Hα-helixtrans-60.4-44.4175.6-71.2-175.216900111.3E372 Y378 F379 E380E372-E376 WeakPolarHBondContact O-CG 3.49Å; E372-E376 PolarHBondContact O-N 3.35Å; E376-Y378 VanDerWaalsContact C-N 3.3Å; E376-Y378 PolarHBondContact O-N 3.12Å; E376-F379 PolarHBondContact O-N 3.44Å; E376-F379 VanDerWaalsContact O-N 3.14Å; E376-E380 WeakPolarHBondContact O-CB 2.96Å; E376-E380 PolarHBondContact O-N 3.22Å
377L93.3Very high93.5Very high115 Ų115103.3 Ų103.360%0.60250%0.498SS*.Hα-helixtrans-60.6-38175.6-167.2155.1000112E373 T374 K375 K381E373-L377 WeakPolarHBondContact O-CB 3.28Å; E373-L377 PolarHBondContact O-N 2.85Å; E373-L377 VanDerWaalsContact O-N 3.11Å; T374-L377 PolarHBondContact O-N 2.96Å; K375-L377 VanDerWaalsContact C-N 3.35Å; L377-K381 WeakPolarHBondContact O-CB 3.49Å; L377-K381 PolarHBondContact O-N 3Å
378Y92.5Very high93.2Very high154 Ų154106.4 Ų106.460%0.60450%0.503SS*.Hα-helixtrans-68.3-40.2172.5-81.3-61000113.4T374 K375 E376 K381 S382T374-Y378 HydrophobicContact CG2-CD2 3.74Å; T374-Y378 HydrophobicContact CG2-CE2 3.49Å; T374-Y378 VanDerWaalsContact CG2-CE2 3.49Å; T374-Y378 WeakPolarHBondContact O-CD2 3.36Å; T374-Y378 PolarHBondContact O-N 2.94Å; K375-Y378 PolarHBondContact O-N 3.2Å; E376-Y378 VanDerWaalsContact C-N 3.3Å; E376-Y378 PolarHBondContact O-N 3.12Å; Y378-K381 PolarHBondContact O-N 3.11Å; Y378-S382 WeakPolarHBondContact O-CB 3.44Å; Y378-S382 PolarHBondContact O-N 3.11Å
379F92.1Very high93.1Very high145 Ų145107.2 Ų107.264%0.63651%0.506SS*.Hα-helixtrans-63.6-46.3175.2-89.9-74.4000111.7K375 E376 S382 R383K375-F379 HydrophobicContact CG-CD2 3.92Å; K375-F379 HydrophobicContact CG-CE2 3.88Å; K375-F379 WeakPolarHBondContact O-CD2 3.33Å; K375-F379 PolarHBondContact O-N 2.91Å; E376-F379 PolarHBondContact O-N 3.44Å; E376-F379 VanDerWaalsContact O-N 3.14Å; F379-S382 WeakPolarHBondContact O-CB 3.39Å; F379-S382 PolarHBondContact O-N 2.92Å; F379-R383 PolarHBondContact O-N 3.29Å
380E92.8Very high93Very high87 Ų87106.4 Ų106.441%0.40751%0.507SS..Hα-helixtrans-64.3-42.1177.4-179.160.3-171.800111.4E376 S382 R383 V384E376-E380 WeakPolarHBondContact O-CB 2.96Å; E376-E380 PolarHBondContact O-N 3.22Å; E380-S382 VanDerWaalsContact C-N 3.3Å; E380-S382 PolarHBondContact O-N 2.77Å; E380-R383 PolarHBondContact O-N 3.34Å; E380-R383 IonicContact OE1-CZ 3.68Å; E380-R383 IonicContact OE1-NE 2.88Å; E380-R383 IonicContact OE1-NH2 3.21Å; E380-R383 PolarHBondContact OE1-NH2 3.48Å; E380-R383 IonicContact OE2-CZ 2.72Å; E380-R383 VanDerWaalsContact OE2-CZ 3.24Å; E380-R383 IonicContact OE2-NE 3.49Å; E380-R383 PolarHBondContact OE2-NE 3.15Å; E380-R383 IonicContact OE2-NH2 3.49Å; E380-R383 PolarHBondContact OE2-NH2 2.99Å; E380-V384 WeakPolarHBondContact O-CG2 3.41Å; E380-V384 PolarHBondContact O-N 3.01Å
381K93.9Very high92.9Very high140 Ų140104.8 Ų104.861%0.60951%0.508SS*.Hα-helixtrans-61.6-37.7173.2-175.4176.7-179.6-179.90112.3L377 Y378 N385L377-K381 WeakPolarHBondContact O-CB 3.49Å; L377-K381 PolarHBondContact O-N 3Å; Y378-K381 PolarHBondContact O-N 3.11Å; K381-N385 VanDerWaalsContact O-CB 3.25Å; K381-N385 WeakPolarHBondContact O-CB 3.21Å; K381-N385 PolarHBondContact O-N 2.81Å
382S93Very high92.8Very high72 Ų72105.5 Ų105.550%0.50351%0.509SS..Hα-helixtrans-66.7-44.4175-165.90000111.2Y378 F379 E380 N385 E386Y378-S382 WeakPolarHBondContact O-CB 3.44Å; Y378-S382 PolarHBondContact O-N 3.11Å; F379-S382 WeakPolarHBondContact O-CB 3.39Å; F379-S382 PolarHBondContact O-N 2.92Å; E380-S382 VanDerWaalsContact C-N 3.3Å; E380-S382 PolarHBondContact O-N 2.77Å; S382-N385 PolarHBondContact O-N 3.16Å; S382-E386 PolarHBondContact O-N 3.28Å
383R94.1Very high92.7Very high120 Ų120106.4 Ų106.445%0.45351%0.513SS..Hα-helixtrans-60.1-50.6176.6-176.5175.673.396.4-9.2111.6F379 E380 N385 E386 E387F379-R383 PolarHBondContact O-N 3.29Å; E380-R383 PolarHBondContact O-N 3.34Å; E380-R383 IonicContact OE1-CZ 3.68Å; E380-R383 IonicContact OE1-NE 2.88Å; E380-R383 IonicContact OE1-NH2 3.21Å; E380-R383 PolarHBondContact OE1-NH2 3.48Å; E380-R383 IonicContact OE2-CZ 2.72Å; E380-R383 VanDerWaalsContact OE2-CZ 3.24Å; E380-R383 IonicContact OE2-NE 3.49Å; E380-R383 PolarHBondContact OE2-NE 3.15Å; E380-R383 IonicContact OE2-NH2 3.49Å; E380-R383 PolarHBondContact OE2-NH2 2.99Å; R383-N385 VanDerWaalsContact C-N 3.28Å; R383-N385 PolarHBondContact O-N 3.37Å; R383-E386 PolarHBondContact O-N 3.23Å; R383-E386 VanDerWaalsContact O-N 3.15Å; R383-E387 HydrophobicContact CG-CG 4.47Å; R383-E387 WeakPolarHBondContact CG-OE1 3.41Å; R383-E387 IonicContact CZ-OE1 3.55Å; R383-E387 IonicContact NE-OE1 3.73Å; R383-E387 IonicContact NH1-OE1 3.03Å; R383-E387 PolarHBondContact NH1-OE1 2.91Å; R383-E387 IonicContact NH1-OE2 3.92Å; R383-E387 WeakPolarHBondContact O-CB 3.35Å; R383-E387 WeakPolarHBondContact O-CG 3.38Å; R383-E387 PolarHBondContact O-N 2.74Å
384V92.3Very high92.7Very high55 Ų55106.1 Ų106.133%0.33352%0.52SS..Hα-helixtrans-61.2-37.1177.1171.50000111.6E380 Q388E380-V384 WeakPolarHBondContact O-CG2 3.41Å; E380-V384 PolarHBondContact O-N 3.01Å; V384-Q388 WeakPolarHBondContact O-CB 3.21Å; V384-Q388 VanDerWaalsContact O-CG 3.28Å; V384-Q388 WeakPolarHBondContact O-CG 3.39Å; V384-Q388 PolarHBondContact O-N 3.19Å
385N91.3Very high92.6Very high104 Ų104107.9 Ų107.956%0.55652%0.522SS*.Hα-helixtrans-68.5-38.2175.3-175.187.8000112.3K381 S382 R383 M389K381-N385 VanDerWaalsContact O-CB 3.25Å; K381-N385 WeakPolarHBondContact O-CB 3.21Å; K381-N385 PolarHBondContact O-N 2.81Å; S382-N385 PolarHBondContact O-N 3.16Å; R383-N385 VanDerWaalsContact C-N 3.28Å; R383-N385 PolarHBondContact O-N 3.37Å; N385-M389 WeakPolarHBondContact O-CB 3.46Å; N385-M389 PolarHBondContact O-N 3.34Å
386E92.8Very high92.6Very high98 Ų98104.6 Ų104.646%0.45852%0.518SS..Hα-helixtrans-69-44.6175.1-164.2-175.2157.200111.8S382 R383 Q388 M389 Q390S382-E386 PolarHBondContact O-N 3.28Å; R383-E386 PolarHBondContact O-N 3.23Å; R383-E386 VanDerWaalsContact O-N 3.15Å; E386-Q388 VanDerWaalsContact C-N 3.3Å; E386-Q388 PolarHBondContact O-N 2.88Å; E386-M389 HydrophobicContact CG-CE 4.4Å; E386-M389 WeakPolarHBondContact O-CB 3.04Å; E386-M389 PolarHBondContact O-N 2.92Å; E386-M389 VanDerWaalsContact O-N 3.1Å; E386-Q390 HydrophobicContact CG-CG 4.47Å; E386-Q390 WeakPolarHBondContact O-CB 3.2Å; E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 3.36Å; E386-Q390 PolarHBondContact OE1-NE2 2.96Å
387E92.9Very high92.5Very high95 Ų95101.5 Ų101.544%0.44451%0.506SS..Hα-helixtrans-58.3-40.8173.1-73.3175-166.800111.4R383 L391R383-E387 HydrophobicContact CG-CG 4.47Å; R383-E387 WeakPolarHBondContact CG-OE1 3.41Å; R383-E387 IonicContact CZ-OE1 3.55Å; R383-E387 IonicContact NE-OE1 3.73Å; R383-E387 IonicContact NH1-OE1 3.03Å; R383-E387 PolarHBondContact NH1-OE1 2.91Å; R383-E387 IonicContact NH1-OE2 3.92Å; R383-E387 WeakPolarHBondContact O-CB 3.35Å; R383-E387 WeakPolarHBondContact O-CG 3.38Å; R383-E387 PolarHBondContact O-N 2.74Å; E387-L391 WeakPolarHBondContact O-CB 3.3Å; E387-L391 PolarHBondContact O-N 2.98Å
388Q90.2Very high92.4Very high119 Ų119101.6 Ų101.656%0.55650%0.503SS*.Hα-helixtrans-65.7-42.6172.6-76.4-177.527.300112.3V384 E386 L391 T392V384-Q388 WeakPolarHBondContact O-CB 3.21Å; V384-Q388 VanDerWaalsContact O-CG 3.28Å; V384-Q388 WeakPolarHBondContact O-CG 3.39Å; V384-Q388 PolarHBondContact O-N 3.19Å; E386-Q388 VanDerWaalsContact C-N 3.3Å; E386-Q388 PolarHBondContact O-N 2.88Å; Q388-L391 PolarHBondContact O-N 3.3Å; Q388-T392 WeakPolarHBondContact O-CG2 3.12Å; Q388-T392 PolarHBondContact O-N 2.81Å; Q388-T392 PolarHBondContact O-OG1 3.12Å
389M92.1Very high92.3Very high109 Ų109101 Ų10154%0.53750%0.504SS..Hα-helixtrans-60.6-52.5176.9-173.2174.97000110.9N385 E386 L391 T392 E393N385-M389 WeakPolarHBondContact O-CB 3.46Å; N385-M389 PolarHBondContact O-N 3.34Å; E386-M389 HydrophobicContact CG-CE 4.4Å; E386-M389 WeakPolarHBondContact O-CB 3.04Å; E386-M389 PolarHBondContact O-N 2.92Å; E386-M389 VanDerWaalsContact O-N 3.1Å; M389-L391 VanDerWaalsContact C-N 3.3Å; M389-L391 PolarHBondContact O-N 3.36Å; M389-T392 PolarHBondContact O-N 2.81Å; M389-T392 VanDerWaalsContact O-N 3.09Å; M389-T392 PolarHBondContact O-OG1 3.02Å; M389-E393 PolarHBondContact O-N 3.17Å
390Q93.4Very high92.2Very high104 Ų104100 Ų10049%0.48650%0.499SS..Hα-helixtrans-58.3-39.5176.1-67.6-179.320.200111.7E386 E393 C394E386-Q390 HydrophobicContact CG-CG 4.47Å; E386-Q390 WeakPolarHBondContact O-CB 3.2Å; E386-Q390 WeakPolarHBondContact O-CG 3.36Å; E386-Q390 PolarHBondContact O-N 3.36Å; E386-Q390 PolarHBondContact OE1-NE2 2.96Å; Q390-E393 PolarHBondContact O-N 2.62Å; Q390-C394 WeakPolarHBondContact O-CB 3.35Å; Q390-C394 PolarHBondContact O-N 2.95Å
391L93.1Very high92.2Very high93 Ų9399.1 Ų99.149%0.48750%0.5SS..Hα-helixtrans-66.8-38.3175.2-178.461.8000112.5E387 Q388 M389 K395E387-L391 WeakPolarHBondContact O-CB 3.3Å; E387-L391 PolarHBondContact O-N 2.98Å; Q388-L391 PolarHBondContact O-N 3.3Å; M389-L391 VanDerWaalsContact C-N 3.3Å; M389-L391 PolarHBondContact O-N 3.36Å; L391-K395 HydrophobicContact CG-CD 4.4Å; L391-K395 WeakPolarHBondContact O-CB 3.43Å; L391-K395 WeakPolarHBondContact O-CD 3.38Å; L391-K395 VanDerWaalsContact O-CG 3.25Å; L391-K395 WeakPolarHBondContact O-CG 3.46Å; L391-K395 PolarHBondContact O-N 2.86Å; L391-K395 VanDerWaalsContact O-N 3.09Å
392T90.7Very high91.9Very high87 Ų8795.6 Ų95.653%0.53449%0.486SS..Hα-helixtrans-70.9-38.4174.955.10000112.5Q388 M389 K395 A396Q388-T392 WeakPolarHBondContact O-CG2 3.12Å; Q388-T392 PolarHBondContact O-N 2.81Å; Q388-T392 PolarHBondContact O-OG1 3.12Å; M389-T392 PolarHBondContact O-N 2.81Å; M389-T392 VanDerWaalsContact O-N 3.09Å; M389-T392 PolarHBondContact O-OG1 3.02Å; T392-K395 PolarHBondContact O-N 2.91Å; T392-A396 WeakPolarHBondContact O-CB 3.34Å; T392-A396 PolarHBondContact O-N 2.91Å
393E92.5Very high91.6Very high113 Ų11396.9 Ų96.953%0.52849%0.485SS..Hα-helixtrans-65.4-45.6173.6177.9173.5-169.500111.4M389 Q390 K395 A396 N397M389-E393 PolarHBondContact O-N 3.17Å; Q390-E393 PolarHBondContact O-N 2.62Å; E393-K395 VanDerWaalsContact C-N 3.31Å; E393-K395 PolarHBondContact O-N 3.08Å; E393-A396 PolarHBondContact O-N 3.26Å; E393-A396 VanDerWaalsContact O-N 3.11Å; E393-N397 VanDerWaalsContact CG-ND2 3.34Å; E393-N397 WeakPolarHBondContact CG-ND2 3.19Å; E393-N397 WeakPolarHBondContact O-CB 3.4Å; E393-N397 PolarHBondContact O-N 3.37Å; E393-N397 PolarHBondContact O-ND2 2.75Å; E393-N397 PolarHBondContact OE1-ND2 3.01Å
394C93.4Very high91.4Very high82 Ų8293.9 Ų93.955%0.55448%0.478SS*.Hα-helixtrans-57.5-44.3176-177.60000111.3Q390 H398Q390-C394 WeakPolarHBondContact O-CB 3.35Å; Q390-C394 PolarHBondContact O-N 2.95Å; C394-H398 VanDerWaalsContact O-CB 3.27Å; C394-H398 WeakPolarHBondContact O-CB 3.49Å; C394-H398 PolarHBondContact O-N 3.25Å
395K92.6Very high91.3Very high109 Ų10997.3 Ų97.347%0.47449%0.485SS..Hα-helixtrans-61.8-45.7172.7-73.9167.6-178.1172.30112.1L391 T392 E393 H398 F399L391-K395 HydrophobicContact CG-CD 4.4Å; L391-K395 WeakPolarHBondContact O-CB 3.43Å; L391-K395 WeakPolarHBondContact O-CD 3.38Å; L391-K395 VanDerWaalsContact O-CG 3.25Å; L391-K395 WeakPolarHBondContact O-CG 3.46Å; L391-K395 PolarHBondContact O-N 2.86Å; L391-K395 VanDerWaalsContact O-N 3.09Å; T392-K395 PolarHBondContact O-N 2.91Å; E393-K395 VanDerWaalsContact C-N 3.31Å; E393-K395 PolarHBondContact O-N 3.08Å; K395-H398 PolarHBondContact O-N 2.93Å; K395-F399 WeakPolarHBondContact O-CD2 3.35Å; K395-F399 PolarHBondContact O-N 2.79Å
396A92.1Very high91.1Very high58 Ų5896 Ų9648%0.47948%0.478SS..Hα-helixtrans-62.8-43.8179.100000112.4T392 E393 F399 K400T392-A396 WeakPolarHBondContact O-CB 3.34Å; T392-A396 PolarHBondContact O-N 2.91Å; E393-A396 PolarHBondContact O-N 3.26Å; E393-A396 VanDerWaalsContact O-N 3.11Å; A396-F399 PolarHBondContact O-N 2.9Å; A396-K400 VanDerWaalsContact O-CB 3.32Å; A396-K400 WeakPolarHBondContact O-CB 3.36Å; A396-K400 PolarHBondContact O-N 2.93Å
397N92.4Very high90.9Very high73 Ų7398.1 Ų98.139%0.3948%0.481SS..Hα-helixtrans-67.8-35.9176.3-78.7-36.9000112.2E393 K400 T401E393-N397 VanDerWaalsContact CG-ND2 3.34Å; E393-N397 WeakPolarHBondContact CG-ND2 3.19Å; E393-N397 WeakPolarHBondContact O-CB 3.4Å; E393-N397 PolarHBondContact O-N 3.37Å; E393-N397 PolarHBondContact O-ND2 2.75Å; E393-N397 PolarHBondContact OE1-ND2 3.01Å; N397-K400 PolarHBondContact O-N 2.83Å; N397-T401 WeakPolarHBondContact O-CB 3.47Å; N397-T401 PolarHBondContact O-N 3.48Å; N397-T401 PolarHBondContact O-OG1 2.85Å
398H90Very high90.7Very high117 Ų11799.8 Ų99.854%0.54249%0.489SS..Hα-helixtrans-63.4-51.2171.718074.4000111.5C394 K395 K400 T401 E402C394-H398 VanDerWaalsContact O-CB 3.27Å; C394-H398 WeakPolarHBondContact O-CB 3.49Å; C394-H398 PolarHBondContact O-N 3.25Å; K395-H398 PolarHBondContact O-N 2.93Å; H398-K400 VanDerWaalsContact C-N 3.32Å; H398-K400 PolarHBondContact O-N 2.96Å; H398-T401 PolarHBondContact O-N 2.93Å; H398-E402 PolarHBondContact O-N 3.19Å
399F89.8Confident90.5Very high141 Ų141101.4 Ų101.462%0.61849%0.49SS*.Hα-helixtrans-59.3-41.1175.5-78.1-58.3000112.4K395 A396 E402 M403K395-F399 WeakPolarHBondContact O-CD2 3.35Å; K395-F399 PolarHBondContact O-N 2.79Å; A396-F399 PolarHBondContact O-N 2.9Å; F399-E402 PolarHBondContact O-N 2.97Å; F399-M403 WeakPolarHBondContact O-CB 3.38Å; F399-M403 VanDerWaalsContact O-CG 3.24Å; F399-M403 WeakPolarHBondContact O-CG 3.32Å; F399-M403 PolarHBondContact O-N 3.47Å
400K91.2Very high90.2Very high124 Ų124100.8 Ų100.854%0.53949%0.486SS..Hα-helixtrans-60.1-49.2174.7-178.8-176.9172.7-170.80111.4A396 N397 H398 E402 M403 D404A396-K400 VanDerWaalsContact O-CB 3.32Å; A396-K400 WeakPolarHBondContact O-CB 3.36Å; A396-K400 PolarHBondContact O-N 2.93Å; N397-K400 PolarHBondContact O-N 2.83Å; H398-K400 VanDerWaalsContact C-N 3.32Å; H398-K400 PolarHBondContact O-N 2.96Å; K400-E402 VanDerWaalsContact C-N 3.31Å; K400-E402 PolarHBondContact O-N 2.92Å; K400-M403 WeakPolarHBondContact O-CB 3.42Å; K400-M403 PolarHBondContact O-N 3.28Å; K400-D404 WeakPolarHBondContact O-CB 3.39Å; K400-D404 PolarHBondContact O-N 3.13Å
401T92Very high89.9Confident68 Ų6899.7 Ų99.742%0.41748%0.482SS..Hα-helixtrans-60.5-40.6179.4-56.60000111.5N397 H398 D404 R405N397-T401 WeakPolarHBondContact O-CB 3.47Å; N397-T401 PolarHBondContact O-N 3.48Å; N397-T401 PolarHBondContact O-OG1 2.85Å; H398-T401 PolarHBondContact O-N 2.93Å; T401-D404 PolarHBondContact O-N 2.92Å; T401-R405 WeakPolarHBondContact O-CB 3.32Å; T401-R405 VanDerWaalsContact O-CG 3.29Å; T401-R405 WeakPolarHBondContact O-CG 3.37Å; T401-R405 PolarHBondContact O-N 3.21Å
402E88.5Confident89.6Confident66 Ų66101 Ų10131%0.30848%0.484SS..Hα-helixtrans-73.6-34.3178.7-156.863.6-166.600112.4H398 F399 K400 R405 L406H398-E402 PolarHBondContact O-N 3.19Å; F399-E402 PolarHBondContact O-N 2.97Å; K400-E402 VanDerWaalsContact C-N 3.31Å; K400-E402 PolarHBondContact O-N 2.92Å; E402-R405 WeakPolarHBondContact OE2-CD 3.46Å; E402-R405 IonicContact OE2-CZ 3.81Å; E402-R405 IonicContact OE2-NE 3.86Å; E402-R405 IonicContact OE2-NH1 3.49Å; E402-R405 PolarHBondContact OE2-NH1 2.87Å; E402-L406 WeakPolarHBondContact O-CB 3.36Å; E402-L406 WeakPolarHBondContact O-CD1 3.49Å; E402-L406 VanDerWaalsContact O-CG 3.29Å; E402-L406 WeakPolarHBondContact O-CG 3.33Å; E402-L406 PolarHBondContact O-N 3.09Å
403M85.8Confident89.4Confident99 Ų99101.1 Ų101.149%0.48848%0.48SS..Hα-helixtrans-62.3-42.9168.4-75.1-70.3105.200112.1F399 K400 L406 R407F399-M403 WeakPolarHBondContact O-CB 3.38Å; F399-M403 VanDerWaalsContact O-CG 3.24Å; F399-M403 WeakPolarHBondContact O-CG 3.32Å; F399-M403 PolarHBondContact O-N 3.47Å; K400-M403 WeakPolarHBondContact O-CB 3.42Å; K400-M403 PolarHBondContact O-N 3.28Å; M403-L406 HydrophobicContact CE-CD1 3.8Å; M403-L406 PolarHBondContact O-N 2.86Å; M403-R407 PolarHBondContact O-N 2.92Å
404D90.2Very high88.9Confident57 Ų57100.7 Ų100.731%0.30548%0.478SS..Hα-helixtrans-66.1-45.2179.3-66.5-17.1000110.3K400 T401 L406 R407 E408K400-D404 WeakPolarHBondContact O-CB 3.39Å; K400-D404 PolarHBondContact O-N 3.13Å; T401-D404 PolarHBondContact O-N 2.92Å; D404-L406 VanDerWaalsContact C-N 3.32Å; D404-L406 PolarHBondContact O-N 3.36Å; D404-R407 PolarHBondContact O-N 3.07Å; D404-R407 VanDerWaalsContact O-N 3.14Å; D404-R407 IonicContact OD1-CZ 3.79Å; D404-R407 IonicContact OD1-NH1 2.6Å; D404-R407 PolarHBondContact OD1-NH1 2.93Å; D404-R407 IonicContact OD1-NH2 2.62Å; D404-R407 PolarHBondContact OD1-NH2 2.7Å; D404-E408 PolarHBondContact O-N 3.04Å
405R89.8Confident88.5Confident128 Ų128104.1 Ų104.148%0.48348%0.479SS..Hα-helixtrans-56.4-40.3170.7-76.2165.2170-178.9-1.5113.3T401 E402 E408 R409T401-R405 WeakPolarHBondContact O-CB 3.32Å; T401-R405 VanDerWaalsContact O-CG 3.29Å; T401-R405 WeakPolarHBondContact O-CG 3.37Å; T401-R405 PolarHBondContact O-N 3.21Å; E402-R405 WeakPolarHBondContact OE2-CD 3.46Å; E402-R405 IonicContact OE2-CZ 3.81Å; E402-R405 IonicContact OE2-NE 3.86Å; E402-R405 IonicContact OE2-NH1 3.49Å; E402-R405 PolarHBondContact OE2-NH1 2.87Å; R405-E408 PolarHBondContact O-N 3Å; R405-R409 WeakPolarHBondContact O-CB 3.48Å; R405-R409 PolarHBondContact O-N 2.7Å
406L87.9Confident88.2Confident77 Ų77103.2 Ų103.240%0.40348%0.477SS..Hα-helixtrans-68.7-38177.2-77.1165.4000111.5E402 M403 D404 R409 Q410E402-L406 WeakPolarHBondContact O-CB 3.36Å; E402-L406 WeakPolarHBondContact O-CD1 3.49Å; E402-L406 VanDerWaalsContact O-CG 3.29Å; E402-L406 WeakPolarHBondContact O-CG 3.33Å; E402-L406 PolarHBondContact O-N 3.09Å; M403-L406 HydrophobicContact CE-CD1 3.8Å; M403-L406 PolarHBondContact O-N 2.86Å; D404-L406 VanDerWaalsContact C-N 3.32Å; D404-L406 PolarHBondContact O-N 3.36Å; L406-R409 PolarHBondContact O-N 3.02Å; L406-Q410 WeakPolarHBondContact O-CB 3.48Å; L406-Q410 PolarHBondContact O-N 3.45Å
407R87.9Confident87.7Confident141 Ų141106.2 Ų106.253%0.53248%0.479SS..Hα-helixtrans-67.2-37.5171.5-68.2-163.9-131.790.69112.8M403 D404 Q410 M411M403-R407 PolarHBondContact O-N 2.92Å; D404-R407 PolarHBondContact O-N 3.07Å; D404-R407 VanDerWaalsContact O-N 3.14Å; D404-R407 IonicContact OD1-CZ 3.79Å; D404-R407 IonicContact OD1-NH1 2.6Å; D404-R407 PolarHBondContact OD1-NH1 2.93Å; D404-R407 IonicContact OD1-NH2 2.62Å; D404-R407 PolarHBondContact OD1-NH2 2.7Å; R407-Q410 PolarHBondContact O-N 2.67Å; R407-M411 WeakPolarHBondContact O-CB 3.46Å; R407-M411 PolarHBondContact O-N 2.99Å
408E87.9Confident87.3Confident130 Ų130107.8 Ų107.861%0.60748%0.484SS*.Hα-helixtrans-63.5-43.8173.2-74.1-171.7153.700112.2D404 R405 Q410 M411 K412D404-E408 PolarHBondContact O-N 3.04Å; R405-E408 PolarHBondContact O-N 3Å; E408-Q410 VanDerWaalsContact C-N 3.35Å; E408-Q410 PolarHBondContact O-N 2.93Å; E408-M411 PolarHBondContact O-N 2.93Å; E408-K412 WeakPolarHBondContact O-CB 3.38Å; E408-K412 PolarHBondContact O-N 3.14Å
409R87.2Confident87Confident154 Ų154106.6 Ų106.658%0.58148%0.481SS*.Hα-helixtrans-61.4-43.3175.3-170.8178.6-65.9159.52.7111.3R405 L406 K412 I413R405-R409 WeakPolarHBondContact O-CB 3.48Å; R405-R409 PolarHBondContact O-N 2.7Å; L406-R409 PolarHBondContact O-N 3.02Å; R409-K412 PolarHBondContact O-N 3.47Å; R409-I413 HydrophobicContact CG-CD1 4.32Å; R409-I413 WeakPolarHBondContact O-CG1 3.17Å; R409-I413 PolarHBondContact O-N 3.03Å; R409-I413 VanDerWaalsContact O-N 3.09Å
410Q86Confident86.6Confident95 Ų95104.7 Ų104.744%0.44448%0.477SS..Hα-helixtrans-62-49.1175-176.861.22500111.8L406 R407 E408 K412 I413 E414L406-Q410 WeakPolarHBondContact O-CB 3.48Å; L406-Q410 PolarHBondContact O-N 3.45Å; R407-Q410 PolarHBondContact O-N 2.67Å; E408-Q410 VanDerWaalsContact C-N 3.35Å; E408-Q410 PolarHBondContact O-N 2.93Å; Q410-K412 VanDerWaalsContact C-N 3.26Å; Q410-K412 PolarHBondContact O-N 3.02Å; Q410-I413 PolarHBondContact O-N 3.23Å; Q410-I413 VanDerWaalsContact O-N 3.17Å; Q410-E414 PolarHBondContact NE2-OE1 2.76Å; Q410-E414 PolarHBondContact O-N 2.88Å
411M86.8Confident86.2Confident82 Ų82102.3 Ų102.340%0.40447%0.468SS..Hα-helixtrans-60.1-33.5175.7-82-170.2-81.500113R407 E408 E414 R415R407-M411 WeakPolarHBondContact O-CB 3.46Å; R407-M411 PolarHBondContact O-N 2.99Å; E408-M411 PolarHBondContact O-N 2.93Å; M411-E414 PolarHBondContact O-N 3.42Å; M411-R415 WeakPolarHBondContact O-CG 3.5Å; M411-R415 PolarHBondContact O-N 2.66Å
412K87.8Confident85.8Confident121 Ų121104.2 Ų104.253%0.52647%0.47SS..Hα-helixtrans-67.3-44.6175.3-171.8171-177-71.30111.4E408 R409 Q410 E414 R415 E416E408-K412 WeakPolarHBondContact O-CB 3.38Å; E408-K412 PolarHBondContact O-N 3.14Å; R409-K412 PolarHBondContact O-N 3.47Å; Q410-K412 VanDerWaalsContact C-N 3.26Å; Q410-K412 PolarHBondContact O-N 3.02Å; K412-E414 VanDerWaalsContact C-N 3.32Å; K412-E414 PolarHBondContact O-N 2.63Å; K412-R415 PolarHBondContact O-N 2.71Å; K412-E416 IonicContact NZ-OE1 2.8Å; K412-E416 PolarHBondContact NZ-OE1 3.47Å; K412-E416 WeakPolarHBondContact O-CB 3.35Å; K412-E416 WeakPolarHBondContact O-CG 3.4Å; K412-E416 PolarHBondContact O-N 3.17Å
413I85.5Confident85.6Confident88 Ų88107.5 Ų107.545%0.45148%0.484SS..Hα-helixtrans-61.3-40.9174.8-67.2163.8000110.8R409 Q410 E416 K417R409-I413 HydrophobicContact CG-CD1 4.32Å; R409-I413 WeakPolarHBondContact O-CG1 3.17Å; R409-I413 PolarHBondContact O-N 3.03Å; R409-I413 VanDerWaalsContact O-N 3.09Å; Q410-I413 PolarHBondContact O-N 3.23Å; Q410-I413 VanDerWaalsContact O-N 3.17Å; I413-E416 PolarHBondContact O-N 3Å; I413-K417 VanDerWaalsContact O-CB 3.29Å; I413-K417 WeakPolarHBondContact O-CB 3.49Å; I413-K417 PolarHBondContact O-N 3.49Å
414E82.7Confident85.3Confident104 Ų104107.5 Ų107.549%0.48648%0.484SS..Hα-helixtrans-67.6-38.1177.7-75.1172.8-16700113.1Q410 M411 K412 H418Q410-E414 PolarHBondContact NE2-OE1 2.76Å; Q410-E414 PolarHBondContact O-N 2.88Å; M411-E414 PolarHBondContact O-N 3.42Å; K412-E414 VanDerWaalsContact C-N 3.32Å; K412-E414 PolarHBondContact O-N 2.63Å; E414-H418 WeakPolarHBondContact O-CB 3.36Å; E414-H418 PolarHBondContact O-N 3.4Å
415R84.8Confident84.9Confident155 Ų155111.1 Ų111.159%0.58549%0.494SS*.Hα-helixtrans-65.6-45.7172-70.8175.9-158.1131.25.8111.9M411 K412 K417 H418 D419M411-R415 WeakPolarHBondContact O-CG 3.5Å; M411-R415 PolarHBondContact O-N 2.66Å; K412-R415 PolarHBondContact O-N 2.71Å; R415-K417 VanDerWaalsContact C-N 3.29Å; R415-K417 PolarHBondContact O-N 3.13Å; R415-H418 PolarHBondContact O-N 3.06Å; R415-H418 VanDerWaalsContact O-N 3.11Å; R415-D419 PolarHBondContact O-N 2.81Å
416E85.1Confident84.5Confident90 Ų90109.2 Ų109.242%0.42149%0.493SS..Hα-helixtrans-61.5-38.8177.5-74.2170.1179.100111.6K412 I413 L420K412-E416 IonicContact NZ-OE1 2.8Å; K412-E416 PolarHBondContact NZ-OE1 3.47Å; K412-E416 WeakPolarHBondContact O-CB 3.35Å; K412-E416 WeakPolarHBondContact O-CG 3.4Å; K412-E416 PolarHBondContact O-N 3.17Å; I413-E416 PolarHBondContact O-N 3Å; E416-L420 WeakPolarHBondContact O-CB 3.33Å; E416-L420 VanDerWaalsContact O-CG 3.3Å; E416-L420 WeakPolarHBondContact O-CG 3.38Å; E416-L420 PolarHBondContact O-N 3.47Å
417K83.2Confident84Confident121 Ų121108 Ų10853%0.52649%0.494SS..Hα-helixtrans-62.4-45.3170.8-179.2173.7-179.9-72.20112I413 R415 L420 E421I413-K417 VanDerWaalsContact O-CB 3.29Å; I413-K417 WeakPolarHBondContact O-CB 3.49Å; I413-K417 PolarHBondContact O-N 3.49Å; R415-K417 VanDerWaalsContact C-N 3.29Å; R415-K417 PolarHBondContact O-N 3.13Å; K417-L420 PolarHBondContact O-N 2.95Å; K417-E421 IonicContact NZ-OE1 2.91Å; K417-E421 PolarHBondContact NZ-OE1 3.2Å; K417-E421 WeakPolarHBondContact O-CG 3.47Å; K417-E421 PolarHBondContact O-N 2.81Å
418H84.2Confident83.6Confident106 Ų106105.9 Ų105.949%0.49149%0.494SS..Hα-helixtrans-66.4-39.4179.6-168.469.1000113E414 R415 L420 E421 K422E414-H418 WeakPolarHBondContact O-CB 3.36Å; E414-H418 PolarHBondContact O-N 3.4Å; R415-H418 PolarHBondContact O-N 3.06Å; R415-H418 VanDerWaalsContact O-N 3.11Å; H418-L420 VanDerWaalsContact C-N 3.33Å; H418-E421 IonicContact ND1-OE2 3.85Å; H418-E421 PolarHBondContact O-N 3.39Å; H418-K422 PolarHBondContact O-N 3.16Å
419D83.4Confident83.3Confident91 Ų91106 Ų10649%0.48749%0.492SS..Hα-helixtrans-66.5-34.4174.7-80.9-22.3000112R415 K422 K423R415-D419 PolarHBondContact O-N 2.81Å; D419-K422 PolarHBondContact O-N 2.75Å; D419-K423 VanDerWaalsContact O-CG 3.29Å; D419-K423 WeakPolarHBondContact O-CG 3.39Å; D419-K423 PolarHBondContact O-N 3.01Å
420L81.6Confident82.8Confident102 Ų102105.8 Ų105.853%0.53449%0.492SS..Hα-helixtrans-67.9-46.5171-75167000111.5E416 K417 H418 K422 K423 I424E416-L420 WeakPolarHBondContact O-CB 3.33Å; E416-L420 VanDerWaalsContact O-CG 3.3Å; E416-L420 WeakPolarHBondContact O-CG 3.38Å; E416-L420 PolarHBondContact O-N 3.47Å; K417-L420 PolarHBondContact O-N 2.95Å; H418-L420 VanDerWaalsContact C-N 3.33Å; L420-K422 PolarHBondContact O-N 2.95Å; L420-K423 PolarHBondContact O-N 3.21Å; L420-K423 VanDerWaalsContact O-N 3.15Å; L420-I424 VanDerWaalsContact O-CG1 3.29Å; L420-I424 WeakPolarHBondContact O-CG1 3.49Å; L420-I424 PolarHBondContact O-N 3.31Å
421E81.6Confident82.4Confident74 Ų74105.5 Ų105.535%0.34650%0.497SS..Hα-helixtrans-59.5-30.2174-75.1170.2179.700112.8K417 H418 R425K417-E421 IonicContact NZ-OE1 2.91Å; K417-E421 PolarHBondContact NZ-OE1 3.2Å; K417-E421 WeakPolarHBondContact O-CG 3.47Å; K417-E421 PolarHBondContact O-N 2.81Å; H418-E421 IonicContact ND1-OE2 3.85Å; H418-E421 PolarHBondContact O-N 3.39Å; E421-R425 PolarHBondContact O-N 3.14Å; E421-R425 PolarHBondContact O-NE 2.77Å; E421-R425 PolarHBondContact O-NH2 3.42Å
422K83.7Confident81.9Confident107 Ų107107.5 Ų107.547%0.46551%0.505SS..Hα-helixtrans-72.4-51.1171.4-170.5-173.1170.8-173.40111.3H418 D419 L420 I424 R425 D426H418-K422 PolarHBondContact O-N 3.16Å; D419-K422 PolarHBondContact O-N 2.75Å; L420-K422 PolarHBondContact O-N 2.95Å; K422-I424 PolarHBondContact O-N 2.95Å; K422-R425 PolarHBondContact O-N 3Å; K422-R425 VanDerWaalsContact O-N 3.08Å; K422-D426 WeakPolarHBondContact CE-OD2 3.48Å; K422-D426 PolarHBondContact O-N 3.29Å
423K83.6Confident81.4Confident136 Ų136106.4 Ų106.459%0.59150%0.502SS*.Hα-helixtrans-58.3-34.7178.7-74.4167.5-176.4171.30113.1D419 L420 A427D419-K423 VanDerWaalsContact O-CG 3.29Å; D419-K423 WeakPolarHBondContact O-CG 3.39Å; D419-K423 PolarHBondContact O-N 3.01Å; L420-K423 PolarHBondContact O-N 3.21Å; L420-K423 VanDerWaalsContact O-N 3.15Å; K423-A427 VanDerWaalsContact O-CB 3.28Å; K423-A427 WeakPolarHBondContact O-CB 3.2Å; K423-A427 PolarHBondContact O-N 2.99Å
424I81.2Confident81Confident98 Ų98106.9 Ų106.950%0.50351%0.505SS..Hα-helixtrans-63.2-51.5173.5-69.4163.5000110.1L420 K422 D426 A427 D428L420-I424 VanDerWaalsContact O-CG1 3.29Å; L420-I424 WeakPolarHBondContact O-CG1 3.49Å; L420-I424 PolarHBondContact O-N 3.31Å; K422-I424 PolarHBondContact O-N 2.95Å; I424-D426 PolarHBondContact O-N 3.12Å; I424-A427 PolarHBondContact O-N 3.01Å; I424-A427 VanDerWaalsContact O-N 3.14Å; I424-D428 VanDerWaalsContact O-CG 3.26Å; I424-D428 PolarHBondContact O-N 3.34Å
425R81.4Confident80.7Confident134 Ų134105.1 Ų105.151%0.50650%0.501SS..Hα-helixtrans-60.8-40.8176.5-76174-73.1155.5-3.6113.4E421 K422 A427 D428 F429E421-R425 PolarHBondContact O-N 3.14Å; E421-R425 PolarHBondContact O-NE 2.77Å; E421-R425 PolarHBondContact O-NH2 3.42Å; K422-R425 PolarHBondContact O-N 3Å; K422-R425 VanDerWaalsContact O-N 3.08Å; R425-A427 VanDerWaalsContact C-N 3.29Å; R425-A427 PolarHBondContact O-N 2.88Å; R425-D428 PolarHBondContact O-N 3.49Å; R425-F429 WeakPolarHBondContact O-CB 3.38Å; R425-F429 PolarHBondContact O-N 3.17Å
426D80.9Confident80.3Confident88 Ų88101.5 Ų101.547%0.47150%0.496SS..Hα-helixtrans-64.7-36.2177.3-66.2-17.8000110.7K422 I424 Y430K422-D426 WeakPolarHBondContact CE-OD2 3.48Å; K422-D426 PolarHBondContact O-N 3.29Å; I424-D426 PolarHBondContact O-N 3.12Å; D426-Y430 PolarHBondContact O-N 3.02Å
427A78.1Confident79.9Confident51 Ų51102.3 Ų102.342%0.42150%0.5SS..Hα-helixtrans-73.3-43.7174.500000113K423 I424 R425 F429 Y430 V431K423-A427 VanDerWaalsContact O-CB 3.28Å; K423-A427 WeakPolarHBondContact O-CB 3.2Å; K423-A427 PolarHBondContact O-N 2.99Å; I424-A427 PolarHBondContact O-N 3.01Å; I424-A427 VanDerWaalsContact O-N 3.14Å; R425-A427 VanDerWaalsContact C-N 3.29Å; R425-A427 PolarHBondContact O-N 2.88Å; A427-F429 VanDerWaalsContact C-N 3.28Å; A427-F429 PolarHBondContact O-N 3.46Å; A427-Y430 PolarHBondContact O-N 3.28Å; A427-Y430 VanDerWaalsContact O-N 3.07Å; A427-V431 WeakPolarHBondContact O-CG2 3.38Å; A427-V431 PolarHBondContact O-N 2.88Å
428D78.6Confident79.5Confident97 Ų97101 Ų10152%0.51950%0.499SS..Hα-helixtrans-58.5-41.7176.1-69.7-29.1000110.9I424 R425 V431 H432I424-D428 VanDerWaalsContact O-CG 3.26Å; I424-D428 PolarHBondContact O-N 3.34Å; R425-D428 PolarHBondContact O-N 3.49Å; D428-V431 PolarHBondContact O-N 2.85Å; D428-H432 WeakPolarHBondContact O-CB 3.38Å; D428-H432 PolarHBondContact O-N 3.06Å
429F81.2Confident79Confident133 Ų133100.3 Ų100.358%0.58350%0.499SS*.Hα-helixtrans-61.2-43.2173.5-178.6-92.6000112R425 A427 H432 Q433R425-F429 WeakPolarHBondContact O-CB 3.38Å; R425-F429 PolarHBondContact O-N 3.17Å; A427-F429 VanDerWaalsContact C-N 3.28Å; A427-F429 PolarHBondContact O-N 3.46Å; F429-H432 PolarHBondContact O-N 3.07Å; F429-Q433 WeakPolarHBondContact O-CB 3.27Å; F429-Q433 PolarHBondContact O-N 2.93Å
430Y78Confident78.6Confident148 Ų148102.3 Ų102.358%0.5850%0.503SS*.Hα-helixtrans-68.3-39.2179.3-140.7-82.3000112.3D426 A427 Q433 L434D426-Y430 PolarHBondContact O-N 3.02Å; A427-Y430 PolarHBondContact O-N 3.28Å; A427-Y430 VanDerWaalsContact O-N 3.07Å; Y430-Q433 PolarHBondContact O-N 3.04Å; Y430-L434 HydrophobicContact CD1-CD1 3.93Å; Y430-L434 HydrophobicContact CD1-CG 4.18Å; Y430-L434 HydrophobicContact CE1-CD1 4.37Å; Y430-L434 HydrophobicContact CE1-CG 4.45Å; Y430-L434 WeakPolarHBondContact O-CB 3.42Å; Y430-L434 WeakPolarHBondContact O-CG 3.29Å; Y430-L434 PolarHBondContact O-N 3.46Å
431V76.9Confident78.1Confident90 Ų90104.8 Ų104.855%0.54551%0.505SS..Hα-helixtrans-64.6-42.4173.6170.70000110.9A427 D428 L434 T435A427-V431 WeakPolarHBondContact O-CG2 3.38Å; A427-V431 PolarHBondContact O-N 2.88Å; D428-V431 PolarHBondContact O-N 2.85Å; V431-L434 PolarHBondContact O-N 3.37Å; V431-T435 PolarHBondContact O-N 2.91Å; V431-T435 PolarHBondContact O-OG1 3.25Å
432H77.1Confident77.6Confident123 Ų123107.2 Ų107.257%0.56952%0.517SS*.Hα-helixtrans-62.8-43.3174.9-173.360.6000111.8D428 F429 T435 V436D428-H432 WeakPolarHBondContact O-CB 3.38Å; D428-H432 PolarHBondContact O-N 3.06Å; F429-H432 PolarHBondContact O-N 3.07Å; H432-T435 WeakPolarHBondContact O-CB 3.42Å; H432-T435 PolarHBondContact O-N 3.22Å; H432-V436 WeakPolarHBondContact O-CG2 3.38Å; H432-V436 PolarHBondContact O-N 2.81Å
433Q76.7Confident77.1Confident98 Ų98105.2 Ų105.246%0.45852%0.52SS..Hα-helixtrans-63.2-42.9176.4-174.8168.353.500112.6F429 Y430 T435 V436 E437F429-Q433 WeakPolarHBondContact O-CB 3.27Å; F429-Q433 PolarHBondContact O-N 2.93Å; Y430-Q433 PolarHBondContact O-N 3.04Å; Q433-T435 VanDerWaalsContact C-N 3.31Å; Q433-T435 PolarHBondContact O-N 3.29Å; Q433-V436 PolarHBondContact O-N 3.32Å; Q433-E437 PolarHBondContact O-N 2.84Å
434L77.7Confident76.4Confident98 Ų98104 Ų10451%0.51352%0.516SS..Hα-helixtrans-62.5-36.6173.9-76.3169.5000112.5Y430 V431 N438Y430-L434 HydrophobicContact CD1-CD1 3.93Å; Y430-L434 HydrophobicContact CD1-CG 4.18Å; Y430-L434 HydrophobicContact CE1-CD1 4.37Å; Y430-L434 HydrophobicContact CE1-CG 4.45Å; Y430-L434 WeakPolarHBondContact O-CB 3.42Å; Y430-L434 WeakPolarHBondContact O-CG 3.29Å; Y430-L434 PolarHBondContact O-N 3.46Å; V431-L434 PolarHBondContact O-N 3.37Å; L434-N438 WeakPolarHBondContact O-CB 3.31Å; L434-N438 PolarHBondContact O-N 3.32Å
435T75.7Confident75.8Confident67 Ų67103 Ų10341%0.41152%0.515SS..Hα-helixtrans-62.6-50.2175.2-51.10000110.4V431 H432 Q433 E437 N438 D439V431-T435 PolarHBondContact O-N 2.91Å; V431-T435 PolarHBondContact O-OG1 3.25Å; H432-T435 WeakPolarHBondContact O-CB 3.42Å; H432-T435 PolarHBondContact O-N 3.22Å; Q433-T435 VanDerWaalsContact C-N 3.31Å; Q433-T435 PolarHBondContact O-N 3.29Å; T435-E437 PolarHBondContact O-N 2.9Å; T435-N438 PolarHBondContact O-N 3.43Å; T435-D439 VanDerWaalsContact O-CG 3.29Å; T435-D439 PolarHBondContact O-N 3.31Å
436V77.4Confident75.1Confident79 Ų79100.3 Ų100.348%0.47951%0.508SS..Hα-helixtrans-64.4-35.2179.4174.50000112.5H432 Q433 K440H432-V436 WeakPolarHBondContact O-CG2 3.38Å; H432-V436 PolarHBondContact O-N 2.81Å; Q433-V436 PolarHBondContact O-N 3.32Å; V436-K440 WeakPolarHBondContact O-CB 3.43Å; V436-K440 PolarHBondContact O-N 3.14Å
437E75.7Confident74.7Confident108 Ų108101.5 Ų101.551%0.50551%0.509SS..Hα-helixtrans-66.3-41.8169.8-89.1-134.7131.600112.2Q433 T435 K440 R441Q433-E437 PolarHBondContact O-N 2.84Å; T435-E437 PolarHBondContact O-N 2.9Å; E437-K440 WeakPolarHBondContact O-CB 3.36Å; E437-K440 PolarHBondContact O-N 2.94Å; E437-R441 WeakPolarHBondContact O-CG 3.25Å; E437-R441 PolarHBondContact O-N 3.37Å
438N74.1Confident74.1Confident92 Ų92104.1 Ų104.149%0.49252%0.515SS..Hα-helixtrans-65.1-46.8-178.9-168.768.7000111.8L434 T435 K440 R441 E442L434-N438 WeakPolarHBondContact O-CB 3.31Å; L434-N438 PolarHBondContact O-N 3.32Å; T435-N438 PolarHBondContact O-N 3.43Å; N438-K440 PolarHBondContact O-N 3.26Å; N438-R441 PolarHBondContact O-N 3.33Å; N438-E442 PolarHBondContact O-N 2.94Å
439D74.1Confident73.3Confident92 Ų92107.2 Ų107.249%0.49252%0.52SS..Hα-helixtrans-55.1-40.5173.9-64.5-8.9000111.2T435 E442 A443T435-D439 VanDerWaalsContact O-CG 3.29Å; T435-D439 PolarHBondContact O-N 3.31Å; D439-E442 PolarHBondContact O-N 3.27Å; D439-A443 PolarHBondContact O-N 2.81Å
440K74.9Confident72.6Confident133 Ų133106.5 Ų106.558%0.57852%0.516SS*.Hα-helixtrans-68.3-36.4177-170-178.3177-169.80112.4V436 E437 N438 A443 E444V436-K440 WeakPolarHBondContact O-CB 3.43Å; V436-K440 PolarHBondContact O-N 3.14Å; E437-K440 WeakPolarHBondContact O-CB 3.36Å; E437-K440 PolarHBondContact O-N 2.94Å; N438-K440 PolarHBondContact O-N 3.26Å; K440-A443 PolarHBondContact O-N 3.45Å; K440-E444 PolarHBondContact O-N 2.8Å
441R71.6Confident72.1Confident155 Ų155104 Ų10459%0.58551%0.51SS*.Hα-helixtrans-71.2-34.5174.5-67.2-169.4101.392.18.8112.5E437 N438 T445E437-R441 WeakPolarHBondContact O-CG 3.25Å; E437-R441 PolarHBondContact O-N 3.37Å; N438-R441 PolarHBondContact O-N 3.33Å; R441-T445 WeakPolarHBondContact O-CB 3.23Å; R441-T445 WeakPolarHBondContact O-CG2 3.39Å; R441-T445 PolarHBondContact O-N 2.83Å; R441-T445 PolarHBondContact O-OG1 3.05Å
442E71.3Confident71.6Confident125 Ų125104.4 Ų104.458%0.58451%0.509SS*.Hα-helixtrans-64.5-43.9170.3-71.4-155.8129.700111.1N438 D439 E444 T445 E446N438-E442 PolarHBondContact O-N 2.94Å; D439-E442 PolarHBondContact O-N 3.27Å; E442-E444 PolarHBondContact O-N 3.29Å; E442-T445 WeakPolarHBondContact CA-OG1 3.5Å; E442-T445 PolarHBondContact O-N 2.84Å; E442-T445 PolarHBondContact O-OG1 3.07Å; E442-E446 WeakPolarHBondContact O-CB 3.35Å; E442-E446 PolarHBondContact O-N 3.31Å
443A72.6Confident71Confident64 Ų64103.6 Ų103.653%0.52951%0.507SS..Hα-helixtrans-60.8-42.5175.100000113.1D439 K440 K447D439-A443 PolarHBondContact O-N 2.81Å; K440-A443 PolarHBondContact O-N 3.45Å; A443-K447 WeakPolarHBondContact O-CB 3.19Å; A443-K447 PolarHBondContact O-N 3.34Å
444E69.9Low70.4Confident110 Ų110103 Ų10351%0.51451%0.513SS..Hα-helixtrans-68.2-42.7175.4-83.5-173.4165.500112.9K440 E442 E446 K447 L448K440-E444 PolarHBondContact O-N 2.8Å; E442-E444 PolarHBondContact O-N 3.29Å; E444-E446 VanDerWaalsContact C-N 3.33Å; E444-E446 PolarHBondContact O-N 3.33Å; E444-K447 PolarHBondContact O-N 2.6Å; E444-L448 WeakPolarHBondContact O-CB 3.38Å; E444-L448 WeakPolarHBondContact O-CG 3.32Å; E444-L448 PolarHBondContact O-N 3.4Å
445T68.3Low69.6Low77 Ų77100.8 Ų100.847%0.47251%0.509SS..Hα-helixtrans-68.6-31.9179.149.10000112.6R441 E442 R449R441-T445 WeakPolarHBondContact O-CB 3.23Å; R441-T445 WeakPolarHBondContact O-CG2 3.39Å; R441-T445 PolarHBondContact O-N 2.83Å; R441-T445 PolarHBondContact O-OG1 3.05Å; E442-T445 WeakPolarHBondContact CA-OG1 3.5Å; E442-T445 PolarHBondContact O-N 2.84Å; E442-T445 PolarHBondContact O-OG1 3.07Å; T445-R449 PolarHBondContact O-N 3.5Å
446E67.3Low68.9Low78 Ų78103.3 Ų103.336%0.36451%0.514SS..Hα-helixtrans-74.2-33.4173-176.751.3-152.500112.6E442 E444 R449 K450E442-E446 WeakPolarHBondContact O-CB 3.35Å; E442-E446 PolarHBondContact O-N 3.31Å; E444-E446 VanDerWaalsContact C-N 3.33Å; E444-E446 PolarHBondContact O-N 3.33Å; E446-R449 PolarHBondContact O-N 2.75Å; E446-K450 PolarHBondContact O-N 2.92Å; E446-K450 IonicContact OE1-NZ 2.62Å; E446-K450 PolarHBondContact OE1-NZ 3.34Å
447K71.6Confident68.3Low114 Ų114105.9 Ų105.950%0.49652%0.523SS..Hα-helixtrans-62.8-48168.6-179.2177.6177.5-70.60111.1A443 E444 R449 K450 E451A443-K447 WeakPolarHBondContact O-CB 3.19Å; A443-K447 PolarHBondContact O-N 3.34Å; E444-K447 PolarHBondContact O-N 2.6Å; K447-R449 VanDerWaalsContact C-N 3.32Å; K447-R449 PolarHBondContact O-N 3.03Å; K447-K450 PolarHBondContact O-N 3.37Å; K447-K450 VanDerWaalsContact O-N 3.17Å; K447-E451 WeakPolarHBondContact CE-OE1 3.33Å; K447-E451 IonicContact NZ-OE1 2.76Å; K447-E451 PolarHBondContact NZ-OE1 2.95Å; K447-E451 IonicContact NZ-OE2 2.61Å; K447-E451 PolarHBondContact NZ-OE2 2.89Å; K447-E451 PolarHBondContact O-N 2.89Å
448L65.6Low67.6Low105 Ų105103.5 Ų103.555%0.5552%0.521SS..Hα-helixtrans-64.1-33.8178.3-72.9167.9000112.5E444 E451 L452E444-L448 WeakPolarHBondContact O-CB 3.38Å; E444-L448 WeakPolarHBondContact O-CG 3.32Å; E444-L448 PolarHBondContact O-N 3.4Å; L448-E451 PolarHBondContact O-N 3.18Å; L448-L452 WeakPolarHBondContact O-CB 3.37Å; L448-L452 PolarHBondContact O-N 3.09Å
449R62.5Low66.9Low162 Ų162104.6 Ų104.661%0.61152%0.524SS*.Hα-helixtrans-58.8-48.8169.9-93-170.6173.3119.31.4112.1T445 E446 K447 L452 I453T445-R449 PolarHBondContact O-N 3.5Å; E446-R449 PolarHBondContact O-N 2.75Å; K447-R449 VanDerWaalsContact C-N 3.32Å; K447-R449 PolarHBondContact O-N 3.03Å; R449-L452 PolarHBondContact O-N 3.39Å; R449-I453 WeakPolarHBondContact O-CG1 3.26Å; R449-I453 PolarHBondContact O-N 2.89Å
450K66.5Low66.2Low119 Ų119109.7 Ų109.752%0.51754%0.536SS..Hα-helixtrans-63-44.5179-70.2-178.2173.674.20111.5E446 K447 I453 C454E446-K450 PolarHBondContact O-N 2.92Å; E446-K450 IonicContact OE1-NZ 2.62Å; E446-K450 PolarHBondContact OE1-NZ 3.34Å; K447-K450 PolarHBondContact O-N 3.37Å; K447-K450 VanDerWaalsContact O-N 3.17Å; K450-I453 PolarHBondContact O-N 2.91Å; K450-C454 PolarHBondContact O-N 3.17Å; K450-C454 VanDerWaalsContact O-N 3.08Å; K450-C454 PolarHBondContact O-SG 3.02Å; K450-C454 VanDerWaalsContact O-SG 3.35Å
451E67.2Low65.3Low95 Ų95108 Ų10844%0.44453%0.53SS..Hα-helixtrans-64.4-39.6177.3-72.1175.6162.600112.2K447 L448 I453 C454 A455K447-E451 WeakPolarHBondContact CE-OE1 3.33Å; K447-E451 IonicContact NZ-OE1 2.76Å; K447-E451 PolarHBondContact NZ-OE1 2.95Å; K447-E451 IonicContact NZ-OE2 2.61Å; K447-E451 PolarHBondContact NZ-OE2 2.89Å; K447-E451 PolarHBondContact O-N 2.89Å; L448-E451 PolarHBondContact O-N 3.18Å; E451-I453 PolarHBondContact O-N 2.81Å; E451-C454 PolarHBondContact O-N 2.91Å; E451-A455 WeakPolarHBondContact O-CB 3.4Å; E451-A455 PolarHBondContact O-N 3.46Å
452L66.3Low64.6Low99 Ų99103 Ų10352%0.51852%0.522SS..Hα-helixtrans-64.9-35.8175.4-177.164.8000112.9L448 R449 K456L448-L452 WeakPolarHBondContact O-CB 3.37Å; L448-L452 PolarHBondContact O-N 3.09Å; R449-L452 PolarHBondContact O-N 3.39Å; L452-K456 WeakPolarHBondContact O-CB 3.47Å; L452-K456 WeakPolarHBondContact O-CG 3.48Å; L452-K456 PolarHBondContact O-N 2.93Å
453I64.6Low63.8Low106 Ų106100 Ų10054%0.54451%0.512SS..Hα-helixtrans-67.2-47175-70.1164.7000110.2R449 K450 E451 A455 K456 M457R449-I453 WeakPolarHBondContact O-CG1 3.26Å; R449-I453 PolarHBondContact O-N 2.89Å; K450-I453 PolarHBondContact O-N 2.91Å; E451-I453 PolarHBondContact O-N 2.81Å; I453-A455 VanDerWaalsContact C-N 3.34Å; I453-A455 PolarHBondContact O-N 2.7Å; I453-K456 PolarHBondContact O-N 3.34Å; I453-M457 PolarHBondContact O-N 3.46Å
454C63.4Low62.9Low84 Ų8499.2 Ų99.257%0.56851%0.506SS*.Hα-helixtrans-59.8-44.1174.8-65.80000111.7K450 E451 K456 M457 A458K450-C454 PolarHBondContact O-N 3.17Å; K450-C454 VanDerWaalsContact O-N 3.08Å; K450-C454 PolarHBondContact O-SG 3.02Å; K450-C454 VanDerWaalsContact O-SG 3.35Å; E451-C454 PolarHBondContact O-N 2.91Å; C454-K456 PolarHBondContact O-N 3.08Å; C454-M457 PolarHBondContact O-N 2.96Å; C454-A458 PolarHBondContact O-N 2.9Å
455A61.2Low62.1Low53 Ų53101.2 Ų101.244%0.43851%0.508SS..Hα-helixtrans-60.9-43.6176.600000112.1E451 I453 M457 A458 E459E451-A455 WeakPolarHBondContact O-CB 3.4Å; E451-A455 PolarHBondContact O-N 3.46Å; I453-A455 VanDerWaalsContact C-N 3.34Å; I453-A455 PolarHBondContact O-N 2.7Å; A455-M457 VanDerWaalsContact C-N 3.34Å; A455-M457 PolarHBondContact O-N 2.88Å; A455-A458 PolarHBondContact O-N 2.92Å; A455-E459 VanDerWaalsContact O-CB 3.25Å; A455-E459 WeakPolarHBondContact O-CB 3.47Å; A455-E459 PolarHBondContact O-N 2.71Å
456K61.1Low61.2Low120 Ų120103.1 Ų103.152%0.52252%0.515SS..Hα-helixtrans-69.6-26.4176.3-78.4-172.3172.5-1760114L452 I453 C454 R460L452-K456 WeakPolarHBondContact O-CB 3.47Å; L452-K456 WeakPolarHBondContact O-CG 3.48Å; L452-K456 PolarHBondContact O-N 2.93Å; I453-K456 PolarHBondContact O-N 3.34Å; C454-K456 PolarHBondContact O-N 3.08Å; K456-R460 WeakPolarHBondContact O-CB 3.05Å; K456-R460 WeakPolarHBondContact O-CG 3.5Å; K456-R460 PolarHBondContact O-N 3.03Å
457M64.4Low60.4Low132 Ų132104.2 Ų104.265%0.6552%0.523SS*.Hα-helixtrans-72.8-46.4170.1-73.3-168.76700111.3I453 C454 A455 E459 R460 E461I453-M457 PolarHBondContact O-N 3.46Å; C454-M457 PolarHBondContact O-N 2.96Å; A455-M457 VanDerWaalsContact C-N 3.34Å; A455-M457 PolarHBondContact O-N 2.88Å; M457-E459 VanDerWaalsContact C-N 3.32Å; M457-E459 PolarHBondContact O-N 3.46Å; M457-R460 PolarHBondContact O-N 3.31Å; M457-E461 WeakPolarHBondContact O-CB 3.37Å; M457-E461 PolarHBondContact O-N 2.86Å
458A61Low59.4Low58 Ų58107 Ų10748%0.47954%0.538SS..Hα-helixtrans-62.4-37.8174.600000112.3C454 A455 E461 A462C454-A458 PolarHBondContact O-N 2.9Å; A455-A458 PolarHBondContact O-N 2.92Å; A458-E461 PolarHBondContact O-N 3.37Å; A458-A462 WeakPolarHBondContact O-CB 3.5Å; A458-A462 PolarHBondContact O-N 3.48Å
459E59.5Low58.3Low116 Ų116109 Ų10954%0.54254%0.542SS..Hα-helixtrans-62.7-44.5172.2-177.4-176.4-156.100111.1A455 M457 T463A455-E459 VanDerWaalsContact O-CB 3.25Å; A455-E459 WeakPolarHBondContact O-CB 3.47Å; A455-E459 PolarHBondContact O-N 2.71Å; M457-E459 VanDerWaalsContact C-N 3.32Å; M457-E459 PolarHBondContact O-N 3.46Å; E459-T463 HydrophobicContact CG-CG2 4.5Å; E459-T463 VanDerWaalsContact O-CB 3.3Å; E459-T463 WeakPolarHBondContact O-CB 3.26Å; E459-T463 WeakPolarHBondContact O-CG2 3.39Å; E459-T463 PolarHBondContact O-N 2.65Å; E459-T463 PolarHBondContact O-OG1 3Å
460R58.9Low57.6Low198 Ų198104.7 Ų104.775%0.74753%0.531SS*.Hα-helixtrans-63.5-37.9173.7-87.4-177.9167.9170.9-3.2112.9K456 M457 T463 A464K456-R460 WeakPolarHBondContact O-CB 3.05Å; K456-R460 WeakPolarHBondContact O-CG 3.5Å; K456-R460 PolarHBondContact O-N 3.03Å; M457-R460 PolarHBondContact O-N 3.31Å; R460-T463 WeakPolarHBondContact CA-OG1 3.38Å; R460-T463 PolarHBondContact O-OG1 3.34Å; R460-A464 WeakPolarHBondContact O-CB 3.36Å; R460-A464 PolarHBondContact O-N 3.03Å
461E57.5Low56.9Low99 Ų99106.1 Ų106.146%0.46354%0.544SS..Hα-helixtrans-74.4-38.1179.2-156-172.6140.100111.7M457 A458 A464 R465M457-E461 WeakPolarHBondContact O-CB 3.37Å; M457-E461 PolarHBondContact O-N 2.86Å; A458-E461 PolarHBondContact O-N 3.37Å; E461-A464 PolarHBondContact O-N 3.49Å; E461-R465 WeakPolarHBondContact O-CG 3.5Å; E461-R465 PolarHBondContact O-N 2.82Å; E461-R465 IonicContact OE1-CZ 3.11Å; E461-R465 IonicContact OE1-NH1 2.7Å; E461-R465 PolarHBondContact OE1-NH1 2.85Å; E461-R465 IonicContact OE1-NH2 2.7Å; E461-R465 PolarHBondContact OE1-NH2 3.46Å
462A56.1Low55.3Low49 Ų49106 Ų10641%0.40555%0.554SS.*Hα-helixtrans-70.2-41.7174.300000112.1A458 R465 L466A458-A462 WeakPolarHBondContact O-CB 3.5Å; A458-A462 PolarHBondContact O-N 3.48Å; A462-R465 PolarHBondContact O-N 2.98Å; A462-L466 WeakPolarHBondContact O-CB 3.41Å; A462-L466 PolarHBondContact O-N 2.83Å
463T53.6Low53.8Low63 Ų63103.4 Ų103.439%0.38755%0.552SS.*Hα-helixtrans-69.1-33.6172.352.30000111.6E459 R460 L466 L467E459-T463 HydrophobicContact CG-CG2 4.5Å; E459-T463 VanDerWaalsContact O-CB 3.3Å; E459-T463 WeakPolarHBondContact O-CB 3.26Å; E459-T463 WeakPolarHBondContact O-CG2 3.39Å; E459-T463 PolarHBondContact O-N 2.65Å; E459-T463 PolarHBondContact O-OG1 3Å; R460-T463 WeakPolarHBondContact CA-OG1 3.38Å; R460-T463 PolarHBondContact O-OG1 3.34Å; T463-L466 CarbonylContact O-C 3.57Å; T463-L466 PolarHBondContact O-N 3.34Å; T463-L467 WeakPolarHBondContact O-CA 3.38Å; T463-L467 WeakPolarHBondContact O-CB 3.49Å; T463-L467 WeakPolarHBondContact O-CD1 3.42Å; T463-L467 WeakPolarHBondContact O-CG 3.47Å; T463-L467 PolarHBondContact O-N 3.5Å
464A54Low52.5Low47 Ų47110.4 Ų110.439%0.38857%0.571SS.*Hα-helixtrans-62.2-44.1169.800000111.8R460 E461 L467 E468R460-A464 WeakPolarHBondContact O-CB 3.36Å; R460-A464 PolarHBondContact O-N 3.03Å; E461-A464 PolarHBondContact O-N 3.49Å; A464-L467 CarbonylContact O-C 3.57Å; A464-L467 VanDerWaalsContact O-CA 3.29Å; A464-L467 WeakPolarHBondContact O-CA 3.34Å; A464-L467 PolarHBondContact O-N 2.69Å; A464-E468 PolarHBondContact O-N 3.37Å
465R54.6Low51.4Low151 Ų151116.5 Ų116.557%0.5759%0.588SS**Hα-helixtrans-65.1-41.3174.5-72.8-177.5-179.7106.910.2112.9E461 A462 L467 E468 F469E461-R465 WeakPolarHBondContact O-CG 3.5Å; E461-R465 PolarHBondContact O-N 2.82Å; E461-R465 IonicContact OE1-CZ 3.11Å; E461-R465 IonicContact OE1-NH1 2.7Å; E461-R465 PolarHBondContact OE1-NH1 2.85Å; E461-R465 IonicContact OE1-NH2 2.7Å; E461-R465 PolarHBondContact OE1-NH2 3.46Å; A462-R465 PolarHBondContact O-N 2.98Å; R465-L467 PolarHBondContact O-N 2.95Å; R465-E468 PolarHBondContact O-N 2.89Å; R465-E468 VanDerWaalsContact O-N 3.1Å; R465-F469 PolarHBondContact O-N 2.92Å
466L49.4Very low50.7Low117 Ų117118.3 Ų118.361%0.61360%0.598SS**Hα-helixtrans-66.6-19.5170.2-85.4158.1000113A462 T463 F469 L470A462-L466 WeakPolarHBondContact O-CB 3.41Å; A462-L466 PolarHBondContact O-N 2.83Å; T463-L466 CarbonylContact O-C 3.57Å; T463-L466 PolarHBondContact O-N 3.34Å; L466-F469 CarbonylContact O-C 3.59Å; L466-L470 WeakPolarHBondContact O-CA 3.43Å; L466-L470 PolarHBondContact O-N 2.7Å
467L50.2Low50.2Low102 Ų102117.8 Ų117.853%0.53461%0.609SS.*THydrogen-bonded Turntrans-103.219.5171.8-64.7168.9000113T463 A464 R465 L470T463-L467 WeakPolarHBondContact O-CA 3.38Å; T463-L467 WeakPolarHBondContact O-CB 3.49Å; T463-L467 WeakPolarHBondContact O-CD1 3.42Å; T463-L467 WeakPolarHBondContact O-CG 3.47Å; T463-L467 PolarHBondContact O-N 3.5Å; A464-L467 CarbonylContact O-C 3.57Å; A464-L467 VanDerWaalsContact O-CA 3.29Å; A464-L467 WeakPolarHBondContact O-CA 3.34Å; A464-L467 PolarHBondContact O-N 2.69Å; R465-L467 PolarHBondContact O-N 2.95Å; L467-L470 HydrophobicContact CB-CG 3.95Å; L467-L470 HydrophobicContact CD2-CD2 3.73Å; L467-L470 HydrophobicContact CD2-CG 3.7Å; L467-L470 HydrophobicContact CG-CG 4.45Å; L467-L470 WeakPolarHBondContact O-CB 3.35Å; L467-L470 WeakPolarHBondContact O-CD1 3.31Å; L467-L470 VanDerWaalsContact O-CG 3.28Å; L467-L470 WeakPolarHBondContact O-CG 3.49Å
468E48.8Very low49.3Very low171 Ų171117.9 Ų117.980%0.79962%0.617SS**THydrogen-bonded Turntrans-115.3-31.8156.5-76.3-172.3125.800110A464 R465 L470A464-E468 PolarHBondContact O-N 3.37Å; R465-E468 PolarHBondContact O-N 2.89Å; R465-E468 VanDerWaalsContact O-N 3.1Å; E468-L470 PolarHBondContact O-N 3.37Å
469F44.6Very low48Very low147 Ų147122.6 Ų122.665%0.64563%0.634SS**SBendtrans-62-12.8150.7-144.9-91.4000112.2R465 L466 N471 S472R465-F469 PolarHBondContact O-N 2.92Å; L466-F469 CarbonylContact O-C 3.59Å; F469-N471 PolarHBondContact O-N 3.37Å; F469-N471 VanDerWaalsContact O-N 3.1Å; F469-S472 WeakPolarHBondContact O-CB 3.47Å; F469-S472 PolarHBondContact O-N 3.21Å; F469-S472 VanDerWaalsContact O-N 3.08Å
470L47.4Very low46.6Very low73 Ų73122.6 Ų122.638%0.38265%0.647SS.*  trans-7.5-77.8-179.9-143.1-174.5000115.5L466 L467 E468 S472 G473L466-L470 WeakPolarHBondContact O-CA 3.43Å; L466-L470 PolarHBondContact O-N 2.7Å; L467-L470 HydrophobicContact CB-CG 3.95Å; L467-L470 HydrophobicContact CD2-CD2 3.73Å; L467-L470 HydrophobicContact CD2-CG 3.7Å; L467-L470 HydrophobicContact CG-CG 4.45Å; L467-L470 WeakPolarHBondContact O-CB 3.35Å; L467-L470 WeakPolarHBondContact O-CD1 3.31Å; L467-L470 VanDerWaalsContact O-CG 3.28Å; L467-L470 WeakPolarHBondContact O-CG 3.49Å; E468-L470 PolarHBondContact O-N 3.37Å; L470-S472 PolarHBondContact O-N 3.23Å; L470-G473 PolarHBondContact O-N 3.32Å
471N51.9Low45.2Very low148 Ų148120.9 Ų120.979%0.79165%0.652SS**THydrogen-bonded Turntrans-83.148.1-169.8-68.3-55.7000109.6F469F469-N471 PolarHBondContact O-N 3.37Å; F469-N471 VanDerWaalsContact O-N 3.1Å
472S33.8Very low44Very low92 Ų92123.5 Ų123.564%0.64367%0.668SS**THydrogen-bonded Turntrans-145.60162.3-64.90000115.6F469 L470F469-S472 WeakPolarHBondContact O-CB 3.47Å; F469-S472 PolarHBondContact O-N 3.21Å; F469-S472 VanDerWaalsContact O-N 3.08Å; L470-S472 PolarHBondContact O-N 3.23Å
473G34Very low42.5Very low46 Ų46128.6 Ų128.647%0.47469%0.694SS.*  00000000135.8L470L470-G473 PolarHBondContact O-N 3.32Å
474R38.2Very low41.6Very low252 Ų252130.8 Ų130.895%0.95172%0.719SS**  000-61.5143.9-149.5159.69.7133.7
475K39.9Very low40.6Very low212 Ų212134.7 Ų134.792%0.92274%0.743SS**  000-132.8-116.1169.7-164.20133.9
476S45.4Very low39.7Very low92 Ų92133.5 Ų133.564%0.64376%0.759SS**  00078.50000124.9
477S51Low39.1Very low109 Ų109135.1 Ų135.176%0.76277%0.773SS**  000-530000118.9
478T46.4Very low38.4Very low134 Ų134136.5 Ų136.582%0.82279%0.791SS**  00038.40000119
479D33.4Very low37.8Very low156 Ų156138 Ų13883%0.83480%0.797SS**  000-81.4-114.5000119.3
480S29.2Very low37.5Very low116 Ų116135.5 Ų135.581%0.81180%0.804SS**  00062.20000120.3
481L30Very low37.1Very low162 Ų162137.4 Ų137.485%0.84883%0.831SS**  000-69.8166000120.6
482L32.5Very low36.5Very low154 Ų154138.1 Ų138.181%0.80683%0.834SS**  000-69176.4000126.1
483T24.8Very low36.8Very low156 Ų156140.6 Ų140.696%0.95785%0.846SS**  00065.60000134.5
484A33.3Very low37.2Very low109 Ų109143.6 Ų143.690%0.90187%0.866SS**  00000000130.4
485S33.8Very low37.4Very low129 Ų129138.3 Ų138.390%0.90287%0.868SS**  00058.90000131.9
486S36Very low37.6Very low127 Ų127134.4 Ų134.489%0.88887%0.868SS**  00060.80000133.1
487V37Very low37.6Very low151 Ų151139.2 Ų139.292%0.91588%0.882SS**  000-96.30000139.2
488S35.9Very low37.4Very low131 Ų131139.1 Ų139.192%0.91689%0.888SS**  00055.60000129.9
489H36.3Very low37.5Very low201 Ų201138.1 Ų138.193%0.93189%0.893SS**  000-17176.2000129.7
490A37.3Very low38Very low95 Ų95139.2 Ų139.279%0.78590%0.897SS**  00000000130.7
491A38.1Very low38.9Very low114 Ų114139.2 Ų139.294%0.94290%0.897SS**  00000000130.1
492N40Very low39.8Very low162 Ų162139 Ų13987%0.86690%0.903SS**  000-150-0.3000130.5
493T40.7Very low40.9Very low144 Ų144137.4 Ų137.488%0.88390%0.902SS**  00064.80000131.3
494A42.5Very low41.8Very low110 Ų110136 Ų13691%0.90990%0.899SS**  00000000124.6
495S42.4Very low42.3Very low140 Ų140139.4 Ų139.498%0.97990%0.901SS**  000-160.20000129.8
496S42.9Very low42.7Very low131 Ų131140.7 Ų140.792%0.91690%0.896SS**  000-159.90000129.5
497M46.4Very low42.8Very low193 Ų193141 Ų14195%0.95189%0.892SS**  000-172169.117400129.3
498A45.9Very low43Very low106 Ų106139.4 Ų139.488%0.87689%0.888SS**  00000000129
499A48.7Very low43.2Very low114 Ų114139.2 Ų139.294%0.94289%0.886SS**  00000000129.5
500I45.3Very low43.5Very low179 Ų179136 Ų13692%0.91889%0.887SS**  000-152.7163.8000128.1
501S47.7Very low44.2Very low116 Ų116138 Ų13881%0.81189%0.889SS**  000-73.60000128.4
502T48.4Very low44.4Very low156 Ų156139.1 Ų139.196%0.95788%0.879SS**  000380000131.9
503P56.2Low44.4Very low121 Ų121137.5 Ų137.579%0.78687%0.871SS**  00044.6-20.5000130.8
504S43.9Very low44.4Very low128 Ų128137.5 Ų137.590%0.89586%0.864SS**  000-75.60000128.6
505L42Very low44.2Very low180 Ų180139.8 Ų139.894%0.94286%0.857SS**  000-61.5-178.9000123.2
506I42.5Very low43.9Very low156 Ų156138.3 Ų138.380%0.884%0.841SS**  000-27.4167000117.7
507T39.1Very low43.6Very low133 Ų133137 Ų13782%0.81684%0.839SS**  000-10.30000118
508S41.3Very low43.2Very low118 Ų118131.9 Ų131.983%0.82584%0.835SS**  00053.30000122.8
509S40.8Very low42.7Very low126 Ų126131 Ų13188%0.88184%0.837SS**  00062.40000128.7
510S42.1Very low41.9Very low135 Ų135130.9 Ų130.994%0.94484%0.836SS**  000-56.80000127
511T51.4Low41.3Very low135 Ų135131.2 Ų131.283%0.82883%0.833SS**  0-172.3062.10000123.1
512N41.5Very low40.6Very low138 Ų138133.2 Ų133.274%0.73883%0.834SS**  trans170.6-178151.7-98.229.2000114.4
513D40.3Very low39.8Very low129 Ų129131.8 Ų131.869%0.6983%0.825SS**  cis-172.3-178.1-2.8-102.1-28.9000110.9
514L40.6Very low38.6Very low143 Ų143132.7 Ų132.775%0.74983%0.829SS**  cis178.5145.1-28-17658.8000117.2
515E38.3Very low38.1Very low159 Ų159136.2 Ų136.274%0.74383%0.831SS**  trans64.1174.1159.8-71.7-77.1-90.400126.2
516T37Very low37.7Very low108 Ų108133.5 Ų133.566%0.66383%0.827SS**  -176.6159.5-56.5-86.20000118.8
517A36.8Very low37.3Very low104 Ų104131.6 Ų131.686%0.8683%0.828SS**  trans76.7165.7162.400000124.3
518G37.3Very low37Very low85 Ų85129.2 Ų129.288%0.87681%0.807SS**  cis169.6161.9-9.500000117
519G35.2Very low36.7Very low88 Ų88133 Ų13391%0.90781%0.805SS**  trans172.4166.1174.100000123.3
520A32.6Very low36.3Very low111 Ų111133.7 Ų133.792%0.91780%0.798SS**  trans-162.9175.2-179.600000117.8
521E32.4Very low36.1Very low186 Ų186133.3 Ų133.387%0.86979%0.789SS**  trans-137.2173.7-169.7-81.5-161.9146.300119.2
522L32.4Very low35.2Very low159 Ų159136.3 Ų136.383%0.83279%0.794SS**  trans-151.2129.7-179.1-114.4103.8000119
523T32.5Very low34.7Very low125 Ų125133 Ų13377%0.76779%0.792SS**  trans49.214614162.10000126.4
524T30.9Very low34.3Very low141 Ų141134.7 Ų134.787%0.86580%0.801SS**  trans-145.8167.2165.755.50000114.2
525H34.2Very low33.8Very low201 Ų201134.9 Ų134.993%0.93180%0.803SS**  trans-142.8161.8173.3-87-52.2000111.7
526S32.5Very low33.5Very low124 Ų124133.1 Ų133.187%0.86781%0.808SS**  trans-147.6171.1-179.5-167.70000113.4
527S33.9Very low33.1Very low116 Ų116134.2 Ų134.281%0.81182%0.82SS**  trans-145.5169.4-176-165.80000113
528H34.1Very low32.9Very low83 Ų83132.3 Ų132.338%0.38481%0.811SS.*  trans-131.3157.2-160.6-146.9-85.8000114R42R42-H528 VanDerWaalsContact CG-CD2 3.49Å; R42-H528 WeakPolarHBondContact CG-CD2 3.42Å; R42-H528 WeakPolarHBondContact CG-NE2 3.44Å
529Y34.8Very low32.8Very low198 Ų198137.3 Ų137.378%0.77682%0.816SS**  trans-127.4-179.7172-96-83.1000113
530L32.3Very low33.2Very low140 Ų140137 Ų13773%0.73380%0.799SS**  trans-136.4153.2-167.3-82160.9000111.4
531V37.3Very low34.3Very low127 Ų127135 Ų13577%0.7777%0.773SS**  trans-122.4139.7170.1177.50000109.6
532Q31.9Very low35.3Very low198 Ų198130 Ų13093%0.92575%0.752SS**  trans-84.1146.6-178.8-65173-55.300112
533G31Very low36.6Very low67 Ų67123 Ų12369%0.69172%0.716SS**  trans-116.3135.3171.600000111.9
534D33.1Very low37.8Very low165 Ų165123.1 Ų123.188%0.88271%0.707SS**  trans-80.7137.9176.9-85.7-48.3000112.4
535N28.5Very low39.1Very low147 Ų147117.1 Ų117.179%0.78667%0.671SS**  trans-96.8118.8171.8-87.5-74.4000110.8
536S32.5Very low40.2Very low123 Ų123113.5 Ų113.586%0.8665%0.652SS**  trans-130.7133156.465.10000110.3
537S28.8Very low41.1Very low130 Ų130115.4 Ų115.491%0.90965%0.647SS**  trans-125.391.2-175.961.50000110.2
538G33.4Very low42.2Very low65 Ų65112.6 Ų112.667%0.6762%0.621SS**  trans-144.9153173.900000109.5S540G538-S540 PolarHBondContact O-N 2.85Å
539I35.4Very low43.3Very low190 Ų190115.3 Ų115.397%0.97464%0.637SS**SBendtrans-94.183.2-175.5-56.3177.9000109.6
540S42Very low44.5Very low80 Ų80108 Ų10856%0.55961%0.611SS**  trans-148.3132.415171.10000109G538 D542G538-S540 PolarHBondContact O-N 2.85Å; S540-D542 WeakPolarHBondContact CB-OD2 3.46Å; S540-D542 PolarHBondContact O-N 3.09Å; S540-D542 VanDerWaalsContact O-N 3.07Å; S540-D542 PolarHBondContact OG-OD2 2.96Å
541D56.3Low46.2Very low70 Ų70105 Ų10537%0.37460%0.598SS.*  trans-85.665.6178-76.7-36.2000109F260 K288 L291F260-D541 HydrophobicContact CD1-CB 4.47Å; F260-D541 HydrophobicContact CE1-CB 3.73Å; F260-D541 HydrophobicContact CZ-CB 3.9Å; F260-D541 WeakPolarHBondContact CZ-OD2 3.47Å; K288-D541 IonicContact NZ-OD1 2.91Å; K288-D541 IonicContact NZ-OD2 3.13Å; K288-D541 PolarHBondContact NZ-OD2 3.04Å; L291-D541 HydrophobicContact CD2-CB 3.81Å; L291-D541 WeakPolarHBondContact CD2-O 3.17Å
542D53.4Low47.8Very low81 Ų81104.1 Ų104.143%0.43359%0.589SS.*EExtended strand (participates in β ladder)trans-104.7148.2179.5-70.1-62.2000112.5H257 S259 S540H257-D542 IonicContact CE1-OD1 2.94Å; H257-D542 PolarHBondContact CE1-OD1 3.49Å; S259-D542 WeakPolarHBondContact CB-OD1 3.45Å; S259-D542 PolarHBondContact OG-OD1 3.06Å; S259-D542 VanDerWaalsContact OG-OD1 3.11Å; S540-D542 WeakPolarHBondContact CB-OD2 3.46Å; S540-D542 PolarHBondContact O-N 3.09Å; S540-D542 VanDerWaalsContact O-N 3.07Å; S540-D542 PolarHBondContact OG-OD2 2.96Å
543F60.5Low49.8Very low13 Ų1399.9 Ų99.96%0.05757%0.573CS.*EExtended strand (participates in β ladder)trans-131.1112.3166.4173-121.8000111.2H257 V258 L291 K295 H298 P545H257-F543 PolarHBondContact CD2-O 2.96Å; V258-F543 HydrophobicContact CB-CD1 4.47Å; V258-F543 PolarHBondContact N-O 2.72Å; V258-F543 PolarHBondContact O-N 3.37Å; L291-F543 HydrophobicContact CD1-CB 3.94Å; K295-F543 HydrophobicContact CB-CD1 4.07Å; K295-F543 HydrophobicContact CB-CD2 4.03Å; K295-F543 HydrophobicContact CB-CE1 4.27Å; K295-F543 HydrophobicContact CB-CE2 4.24Å; K295-F543 HydrophobicContact CB-CG 3.94Å; K295-F543 HydrophobicContact CB-CZ 4.34Å; K295-F543 HydrophobicContact CD-CD2 3.74Å; K295-F543 HydrophobicContact CD-CE2 4.15Å; K295-F543 HydrophobicContact CD-CG 4.3Å; K295-F543 HydrophobicContact CG-CD2 3.65Å; K295-F543 HydrophobicContact CG-CE2 3.66Å; K295-F543 HydrophobicContact CG-CG 4.1Å; K295-F543 HydrophobicContact CG-CZ 4.1Å; H298-F543 HydrophobicContact CB-CE1 3.9Å; H298-F543 HydrophobicContact CB-CZ 4.18Å; H298-F543 AromaticContact CG-CE1 3.89Å; H298-F543 AromaticContact ND1-CE1 3.9Å; H298-F543 AromaticContact ND1-CZ 3.56Å; F543-P545 HydrophobicContact CD1-CG 4.34Å; F543-P545 HydrophobicContact CE1-CG 3.79Å; F543-P545 HydrophobicContact CZ-CG 4.14Å; F543-P545 WeakPolarHBondContact O-CD 3.25Å
544E55.9Low52Low127 Ų127100.6 Ų100.659%0.59356%0.558SS**  trans-100103.7169.2-159.7144.2-108.100109.9H257 R268 K546H257-E544 IonicContact CD2-OE1 3.66Å; R268-E544 IonicContact CZ-OE1 3.7Å; R268-E544 IonicContact NH2-OE1 3.4Å; R268-E544 PolarHBondContact NH2-OE1 2.81Å; E544-K546 PolarHBondContact O-N 3.43Å
545P58.9Low53.9Low15 Ų1593 Ų9310%0.09752%0.518CS..  trans-31.8129.2161.1-42.840.7000115.5R256 H298 F543R256-P545 VanDerWaalsContact O-CD 3.23Å; R256-P545 WeakPolarHBondContact O-CD 3.3Å; R256-P545 WeakPolarHBondContact O-CG 3.27Å; H298-P545 VanDerWaalsContact CE1-CB 3.42Å; H298-P545 WeakPolarHBondContact CE1-CB 3.42Å; F543-P545 HydrophobicContact CD1-CG 4.34Å; F543-P545 HydrophobicContact CE1-CG 3.79Å; F543-P545 HydrophobicContact CZ-CG 4.14Å; F543-P545 WeakPolarHBondContact O-CD 3.25Å
546K57.1Low56.2Low124 Ų12491.5 Ų91.554%0.53951%0.506SS..  trans-57.6137.6164.4-67.3166.3-179153.10108.9D299 M302 E544D299-K546 IonicContact OD1-NZ 3.87Å; D299-K546 IonicContact OD2-NZ 3.53Å; D299-K546 PolarHBondContact OD2-NZ 3.18Å; M302-K546 WeakPolarHBondContact CE-O 3.37Å; E544-K546 PolarHBondContact O-N 3.43Å
547E51.3Low58.6Low164 Ų16491.7 Ų91.777%0.76649%0.493SS*.  trans-59.9149.1-174.4-65.4-170.5126.300113.7I549E547-I549 PolarHBondContact O-N 3.18Å
548F56.9Low60.9Low57 Ų5787.8 Ų87.825%0.2546%0.461CS..  trans-72.4105.1173.3-67.4-90.5000109N253 V270 H298 M302 L550 M555N253-F548 HydrophobicContact CB-CE1 4.06Å; N253-F548 HydrophobicContact CB-CZ 4.41Å; V270-F548 HydrophobicContact CG2-CE2 4.4Å; H298-F548 AromaticContact NE2-CZ 3.98Å; M302-F548 HydrophobicContact CE-CB 4.47Å; M302-F548 HydrophobicContact CE-CD1 3.44Å; M302-F548 VanDerWaalsContact CE-CD1 3.44Å; M302-F548 HydrophobicContact CE-CD2 3.86Å; M302-F548 HydrophobicContact CE-CE1 3.35Å; M302-F548 HydrophobicContact CE-CE2 3.78Å; M302-F548 HydrophobicContact CE-CG 3.68Å; M302-F548 HydrophobicContact CE-CZ 3.51Å; M302-F548 HydrophobicContact SD-CD1 3.7Å; M302-F548 HydrophobicContact SD-CE1 3.37Å; M302-F548 WeakPolarHBondContact SD-CE1 3.36Å; M302-F548 HydrophobicContact SD-CZ 3.97Å; F548-L550 VanDerWaalsContact C-N 3.31Å; F548-M555 HydrophobicContact CD1-CE 3.57Å; F548-M555 HydrophobicContact CD1-SD 3.59Å; F548-M555 VanDerWaalsContact CD1-SD 3.59Å; F548-M555 HydrophobicContact CE1-CE 3.88Å; F548-M555 HydrophobicContact CE1-SD 3.47Å; F548-M555 WeakPolarHBondContact CE1-SD 3.47Å
549I58Low63.1Low141 Ų14185.2 Ų85.272%0.72343%0.433SS*.  trans-74.7-27.9175.2-57.8175.6000110.6E547E547-I549 PolarHBondContact O-N 3.18Å
550L59.4Low65.2Low44 Ų4479.1 Ų79.123%0.2340%0.402CS..SBendtrans-83.9150.7172.7-65.3-172.9000111.1R305 F548 E554 M555 I558R305-L550 WeakPolarHBondContact O-CD1 3.41Å; F548-L550 VanDerWaalsContact C-N 3.31Å; L550-E554 HydrophobicContact CB-CB 4.1Å; L550-E554 HydrophobicContact CD1-CB 4.21Å; L550-E554 HydrophobicContact CD2-CB 4.26Å; L550-E554 HydrophobicContact CG-CB 4.43Å; L550-M555 HydrophobicContact CD1-CE 4.4Å; L550-I558 HydrophobicContact CD1-CD1 3.52Å
551T67.7Low67Low77 Ų7780.4 Ų80.447%0.47240%0.399SS..  trans-67.8156.9163.9640000111.3N553 E554 M555T551-N553 PolarHBondContact O-N 2.66Å; T551-E554 WeakPolarHBondContact CB-OE2 3.23Å; T551-E554 WeakPolarHBondContact CG2-OE2 3.5Å; T551-E554 PolarHBondContact N-OE2 3.2Å; T551-E554 PolarHBondContact O-N 2.73Å; T551-E554 VanDerWaalsContact O-N 3.1Å; T551-E554 WeakPolarHBondContact OG1-CG 3.46Å; T551-E554 PolarHBondContact OG1-N 2.86Å; T551-E554 PolarHBondContact OG1-OE2 2.63Å; T551-M555 PolarHBondContact O-N 2.89Å
552D71.2Confident67.9Low109 Ų10979.4 Ų79.458%0.58339%0.393SS*.Hα-helixtrans-53.2-39175.3-60-42.4000111.7M555 E556D552-M555 PolarHBondContact O-N 2.87Å; D552-E556 WeakPolarHBondContact O-CB 3.38Å; D552-E556 PolarHBondContact O-N 3.45Å
553N73.9Confident68.9Low109 Ų10978.2 Ų78.258%0.58339%0.385SS*.Hα-helixtrans-63.3-41.8178.2-69.3-20.2000113.3T551 Q557T551-N553 PolarHBondContact O-N 2.66Å; N553-Q557 WeakPolarHBondContact O-CB 3.37Å; N553-Q557 VanDerWaalsContact O-CG 3.25Å; N553-Q557 WeakPolarHBondContact O-CG 3.45Å; N553-Q557 PolarHBondContact O-N 3.4Å; N553-Q557 PolarHBondContact O-NE2 2.89Å
554E76.8Confident69.7Low82 Ų8284.5 Ų84.538%0.38341%0.408SS..Hα-helixtrans-70.3-38.6177.3-70.4160.8122.600110.7L550 T551 Q557 I558L550-E554 HydrophobicContact CB-CB 4.1Å; L550-E554 HydrophobicContact CD1-CB 4.21Å; L550-E554 HydrophobicContact CD2-CB 4.26Å; L550-E554 HydrophobicContact CG-CB 4.43Å; T551-E554 WeakPolarHBondContact CB-OE2 3.23Å; T551-E554 WeakPolarHBondContact CG2-OE2 3.5Å; T551-E554 PolarHBondContact N-OE2 3.2Å; T551-E554 PolarHBondContact O-N 2.73Å; T551-E554 VanDerWaalsContact O-N 3.1Å; T551-E554 WeakPolarHBondContact OG1-CG 3.46Å; T551-E554 PolarHBondContact OG1-N 2.86Å; T551-E554 PolarHBondContact OG1-OE2 2.63Å; E554-Q557 PolarHBondContact O-N 3.29Å; E554-I558 WeakPolarHBondContact O-CG1 3.46Å; E554-I558 PolarHBondContact O-N 3.2Å
555M74.8Confident70.5Confident5 Ų581.4 Ų81.43%0.02540%0.396CS..Hα-helixtrans-65.4-39.1175.2-175.7143.9-59.500112.7N253 Y301 M302 R305 F548 L550 T551 D552 T559N253-M555 HydrophobicContact CB-CG 4.22Å; N253-M555 HydrophobicContact CB-SD 3.52Å; N253-M555 VanDerWaalsContact CB-SD 3.52Å; Y301-M555 HydrophobicContact CE1-SD 4.01Å; M302-M555 HydrophobicContact SD-CE 4.24Å; R305-M555 HydrophobicContact CB-CE 3.78Å; R305-M555 HydrophobicContact CG-CE 4.29Å; F548-M555 HydrophobicContact CD1-CE 3.57Å; F548-M555 HydrophobicContact CD1-SD 3.59Å; F548-M555 VanDerWaalsContact CD1-SD 3.59Å; F548-M555 HydrophobicContact CE1-CE 3.88Å; F548-M555 HydrophobicContact CE1-SD 3.47Å; F548-M555 WeakPolarHBondContact CE1-SD 3.47Å; L550-M555 HydrophobicContact CD1-CE 4.4Å; T551-M555 PolarHBondContact O-N 2.89Å; D552-M555 PolarHBondContact O-N 2.87Å; M555-T559 WeakPolarHBondContact O-CB 3.49Å; M555-T559 PolarHBondContact O-N 3.04Å; M555-T559 PolarHBondContact O-OG1 3.46Å
556E76.7Confident71.1Confident115 Ų11581 Ų8154%0.53739%0.393SS..Hα-helixtrans-67.1-41.1174.1-152.3-156.1133.100110.9D552 T559 N560D552-E556 WeakPolarHBondContact O-CB 3.38Å; D552-E556 PolarHBondContact O-N 3.45Å; E556-T559 PolarHBondContact O-N 3.28Å; E556-N560 VanDerWaalsContact O-CB 3.25Å; E556-N560 WeakPolarHBondContact O-CB 3.31Å; E556-N560 VanDerWaalsContact O-CG 3.28Å; E556-N560 PolarHBondContact O-N 3.43Å; E556-N560 PolarHBondContact O-ND2 3.13Å; E556-N560 PolarHBondContact OE1-ND2 3.49Å
557Q81.7Confident71.7Confident127 Ų12779.1 Ų79.159%0.59339%0.388SS*.Hα-helixtrans-59.5-50.6175.6-78.7169.154.200112.5N553 E554 T559 N560 E561N553-Q557 WeakPolarHBondContact O-CB 3.37Å; N553-Q557 VanDerWaalsContact O-CG 3.25Å; N553-Q557 WeakPolarHBondContact O-CG 3.45Å; N553-Q557 PolarHBondContact O-N 3.4Å; N553-Q557 PolarHBondContact O-NE2 2.89Å; E554-Q557 PolarHBondContact O-N 3.29Å; Q557-T559 VanDerWaalsContact C-N 3.3Å; Q557-T559 PolarHBondContact O-N 3.03Å; Q557-N560 PolarHBondContact O-N 3Å; Q557-E561 WeakPolarHBondContact O-CB 3.49Å; Q557-E561 PolarHBondContact O-N 3.37Å
558I78.5Confident72.5Confident48 Ų4873.6 Ų73.625%0.24636%0.364CS..Hα-helixtrans-61.9-40.4177.8-64166.4000110.8R305 L550 E554 E561 M562R305-I558 HydrophobicContact CB-CD1 4.49Å; R305-I558 HydrophobicContact CG-CB 4.48Å; R305-I558 HydrophobicContact CG-CG2 3.96Å; L550-I558 HydrophobicContact CD1-CD1 3.52Å; E554-I558 WeakPolarHBondContact O-CG1 3.46Å; E554-I558 PolarHBondContact O-N 3.2Å; I558-E561 PolarHBondContact O-N 2.76Å; I558-M562 HydrophobicContact CG2-CE 4.16Å; I558-M562 WeakPolarHBondContact O-CG 3.41Å; I558-M562 PolarHBondContact O-N 3.22Å
559T79.3Confident73.2Confident12 Ų1272.6 Ų72.67%0.07436%0.359CS..Hα-helixtrans-66.8-41.6178.1-55.90000111.6R305 M555 E556 Q557 E561 M562 E563R305-T559 PolarHBondContact NE-OG1 3.43Å; R305-T559 VanDerWaalsContact NE-OG1 3.1Å; R305-T559 PolarHBondContact NH2-OG1 3.31Å; M555-T559 WeakPolarHBondContact O-CB 3.49Å; M555-T559 PolarHBondContact O-N 3.04Å; M555-T559 PolarHBondContact O-OG1 3.46Å; E556-T559 PolarHBondContact O-N 3.28Å; Q557-T559 VanDerWaalsContact C-N 3.3Å; Q557-T559 PolarHBondContact O-N 3.03Å; T559-E561 VanDerWaalsContact C-N 3.31Å; T559-E561 PolarHBondContact O-N 2.87Å; T559-M562 PolarHBondContact O-N 2.89Å; T559-E563 WeakPolarHBondContact O-CB 3.21Å; T559-E563 WeakPolarHBondContact O-CG 3.24Å; T559-E563 PolarHBondContact O-N 2.61Å
560N79Confident73.6Confident61 Ų6167.2 Ų67.233%0.32633%0.331SS..Hα-helixtrans-66.4-28.7174.3-78.9-45.8000112.8E556 Q557 R564E556-N560 VanDerWaalsContact O-CB 3.25Å; E556-N560 WeakPolarHBondContact O-CB 3.31Å; E556-N560 VanDerWaalsContact O-CG 3.28Å; E556-N560 PolarHBondContact O-N 3.43Å; E556-N560 PolarHBondContact O-ND2 3.13Å; E556-N560 PolarHBondContact OE1-ND2 3.49Å; Q557-N560 PolarHBondContact O-N 3Å; N560-R564 VanDerWaalsContact O-CB 3.26Å; N560-R564 WeakPolarHBondContact O-CB 3.27Å; N560-R564 PolarHBondContact O-N 3.01Å
561E79.6Confident73.7Confident107 Ų10772.1 Ų72.150%0.535%0.347SS..Hα-helixtrans-72.7-47.2174-173171.1-175.100111.6Q557 I558 T559 E563 R564 N565Q557-E561 WeakPolarHBondContact O-CB 3.49Å; Q557-E561 PolarHBondContact O-N 3.37Å; I558-E561 PolarHBondContact O-N 2.76Å; T559-E561 VanDerWaalsContact C-N 3.31Å; T559-E561 PolarHBondContact O-N 2.87Å; E561-E563 PolarHBondContact O-N 2.76Å; E561-R564 WeakPolarHBondContact O-CB 3.48Å; E561-R564 PolarHBondContact O-N 3.46Å; E561-R564 VanDerWaalsContact O-N 3.08Å; E561-N565 PolarHBondContact O-N 2.63Å; E561-N565 PolarHBondContact O-OD1 2.73Å
562M75.1Confident73.5Confident49 Ų4973.8 Ų73.824%0.24135%0.353CS..Hα-helixtrans-61.8-42.1174.8-66.7-173.1-59.100112.1R305 I558 T559 R564 H566R305-M562 VanDerWaalsContact CZ-CE 3.5Å; I558-M562 HydrophobicContact CG2-CE 4.16Å; I558-M562 WeakPolarHBondContact O-CG 3.41Å; I558-M562 PolarHBondContact O-N 3.22Å; T559-M562 PolarHBondContact O-N 2.89Å; M562-R564 VanDerWaalsContact C-N 3.32Å; M562-R564 PolarHBondContact O-N 3.42Å; M562-H566 WeakPolarHBondContact O-CB 3.41Å; M562-H566 PolarHBondContact O-N 3.48Å
563E75.5Confident73.6Confident56 Ų5669.1 Ų69.126%0.26233%0.329SS..Hα-helixtrans-62.1-37.5172.1-76.2-171.4-166.200112T559 E561 L567 K621T559-E563 WeakPolarHBondContact O-CB 3.21Å; T559-E563 WeakPolarHBondContact O-CG 3.24Å; T559-E563 PolarHBondContact O-N 2.61Å; E561-E563 PolarHBondContact O-N 2.76Å; E563-L567 WeakPolarHBondContact O-CB 3.48Å; E563-L567 WeakPolarHBondContact O-CD1 3.4Å; E563-L567 VanDerWaalsContact O-CG 3.23Å; E563-L567 WeakPolarHBondContact O-CG 3.44Å; E563-L567 PolarHBondContact O-N 3.03Å; E563-K621 IonicContact OE1-NZ 2.66Å; E563-K621 PolarHBondContact OE1-NZ 3.28Å
564R76.8Confident73.8Confident145 Ų14571 Ų7155%0.54733%0.331SS..Hα-helixtrans-67.1-48.3177.5-175-176.8-63.8109.60.3112.1N560 E561 M562 H566 L567 D568N560-R564 VanDerWaalsContact O-CB 3.26Å; N560-R564 WeakPolarHBondContact O-CB 3.27Å; N560-R564 PolarHBondContact O-N 3.01Å; E561-R564 WeakPolarHBondContact O-CB 3.48Å; E561-R564 PolarHBondContact O-N 3.46Å; E561-R564 VanDerWaalsContact O-N 3.08Å; M562-R564 VanDerWaalsContact C-N 3.32Å; M562-R564 PolarHBondContact O-N 3.42Å; R564-H566 VanDerWaalsContact C-N 3.25Å; R564-H566 PolarHBondContact O-N 3.26Å; R564-L567 CarbonylContact O-C 3.56Å; R564-L567 PolarHBondContact O-N 3.45Å; R564-L567 VanDerWaalsContact O-N 3.13Å; R564-D568 PolarHBondContact O-N 2.7Å
565N71.4Confident74.1Confident62 Ų6273.4 Ų73.433%0.33234%0.343SS..Hα-helixtrans-60.4-39.5-179.8-68.26.2000111E101 E561 D568 Y569E101-N565 PolarHBondContact OE1-ND2 2.68Å; E561-N565 PolarHBondContact O-N 2.63Å; E561-N565 PolarHBondContact O-OD1 2.73Å; N565-D568 PolarHBondContact O-N 3.32Å; N565-Y569 PolarHBondContact O-N 3.44Å
566H72Confident74.7Confident8 Ų873.8 Ų73.84%0.03735%0.346CS..Hα-helixtrans-66-44174179.877.8000112.6D207 M562 R564 D568 Y569 L570 Y614D207-H566 IonicContact OD1-CE1 3.79Å; D207-H566 PolarHBondContact OD1-CE1 3.22Å; D207-H566 IonicContact OD1-NE2 3.17Å; M562-H566 WeakPolarHBondContact O-CB 3.41Å; M562-H566 PolarHBondContact O-N 3.48Å; R564-H566 VanDerWaalsContact C-N 3.25Å; R564-H566 PolarHBondContact O-N 3.26Å; H566-D568 VanDerWaalsContact C-N 3.29Å; H566-D568 PolarHBondContact O-N 2.81Å; H566-Y569 WeakPolarHBondContact O-CB 3.3Å; H566-Y569 PolarHBondContact O-N 2.78Å; H566-L570 WeakPolarHBondContact NE2-CD1 3.38Å; H566-L570 PolarHBondContact O-N 3.4Å; H566-Y614 AromaticContact CD2-CE1 3.8Å; H566-Y614 AromaticContact CD2-CZ 3.8Å; H566-Y614 AromaticContact CE1-CE2 3.97Å; H566-Y614 AromaticContact CE1-CZ 3.65Å; H566-Y614 PolarHBondContact CE1-OH 3.36Å; H566-Y614 AromaticContact NE2-CD2 3.74Å; H566-Y614 AromaticContact NE2-CE1 3.64Å; H566-Y614 AromaticContact NE2-CE2 3.19Å; H566-Y614 WeakPolarHBondContact NE2-CE2 3.43Å; H566-Y614 AromaticContact NE2-CZ 3.13Å; H566-Y614 PolarHBondContact NE2-OH 3.18Å
567L69.8Low75.1Confident84 Ų8473.2 Ų73.244%0.4434%0.343SS..Hα-helixtrans-64.2-31.9174.2-74.5167.6000113E563 R564 L570 R571E563-L567 WeakPolarHBondContact O-CB 3.48Å; E563-L567 WeakPolarHBondContact O-CD1 3.4Å; E563-L567 VanDerWaalsContact O-CG 3.23Å; E563-L567 WeakPolarHBondContact O-CG 3.44Å; E563-L567 PolarHBondContact O-N 3.03Å; R564-L567 CarbonylContact O-C 3.56Å; R564-L567 PolarHBondContact O-N 3.45Å; R564-L567 VanDerWaalsContact O-N 3.13Å; L567-L570 HydrophobicContact CD2-CD1 4.19Å; L567-L570 PolarHBondContact O-N 3.18Å; L567-R571 WeakPolarHBondContact O-CB 3.42Å; L567-R571 PolarHBondContact O-N 2.95Å
568D69.5Low75.5Confident48 Ų4870.4 Ų70.426%0.25734%0.337SS..Hα-helixtrans-69.2-37173.2-84.2-41.7000111.7R564 N565 H566 R571 N572R564-D568 PolarHBondContact O-N 2.7Å; N565-D568 PolarHBondContact O-N 3.32Å; H566-D568 VanDerWaalsContact C-N 3.29Å; H566-D568 PolarHBondContact O-N 2.81Å; D568-R571 PolarHBondContact O-N 3.17Å; D568-R571 IonicContact OD1-CZ 2.64Å; D568-R571 IonicContact OD1-NE 2.91Å; D568-R571 IonicContact OD1-NH1 3.46Å; D568-R571 PolarHBondContact OD1-NH1 3.47Å; D568-R571 IonicContact OD1-NH2 2.56Å; D568-R571 PolarHBondContact OD1-NH2 2.97Å; D568-N572 WeakPolarHBondContact O-CB 3.3Å; D568-N572 PolarHBondContact O-N 3.17Å; D568-N572 PolarHBondContact O-ND2 2.83Å; D568-N572 VanDerWaalsContact O-ND2 3.16Å; D568-N572 PolarHBondContact O-OD1 2.8Å
569Y70.2Confident76.1Confident35 Ų3568.5 Ų68.514%0.13733%0.327CS..Hα-helixtrans-58.7-53.8167170.4-103.8000110.9E200 K203 N565 H566 R571 N572 S573E200-Y569 WeakPolarHBondContact OE1-CE2 3.33Å; E200-Y569 VanDerWaalsContact OE1-CZ 3.31Å; E200-Y569 PolarHBondContact OE1-OH 3.16Å; K203-Y569 HydrophobicContact CB-CE1 3.92Å; K203-Y569 HydrophobicContact CB-CE2 4.38Å; K203-Y569 HydrophobicContact CD-CD2 4.4Å; K203-Y569 HydrophobicContact CD-CE2 3.77Å; K203-Y569 HydrophobicContact CG-CE2 4.47Å; N565-Y569 PolarHBondContact O-N 3.44Å; H566-Y569 WeakPolarHBondContact O-CB 3.3Å; H566-Y569 PolarHBondContact O-N 2.78Å; Y569-R571 VanDerWaalsContact C-N 3.26Å; Y569-R571 PolarHBondContact O-N 3.25Å; Y569-N572 CarbonylContact O-C 3.58Å; Y569-N572 PolarHBondContact O-N 3.27Å; Y569-S573 WeakPolarHBondContact O-CB 3.39Å; Y569-S573 PolarHBondContact O-N 2.79Å; Y569-S573 PolarHBondContact OH-OG 2.62Å
570L66.2Low76.7Confident29 Ų2969.3 Ų69.315%0.15233%0.331CS..Hα-helixtrans-54.5-39.2177.9-80.5170.2000113.2D207 H566 L567 S573 Q577 Y614D207-L570 WeakPolarHBondContact OD2-CD2 3.42Å; H566-L570 WeakPolarHBondContact NE2-CD1 3.38Å; H566-L570 PolarHBondContact O-N 3.4Å; L567-L570 HydrophobicContact CD2-CD1 4.19Å; L567-L570 PolarHBondContact O-N 3.18Å; L570-S573 PolarHBondContact O-N 3.46Å; L570-Q577 PolarHBondContact O-NE2 2.81Å; L570-Q577 VanDerWaalsContact O-NE2 3.12Å; L570-Y614 HydrophobicContact CD1-CD2 4.08Å; L570-Y614 HydrophobicContact CD1-CE2 4.4Å
571R62.3Low77.4Confident147 Ų14772.9 Ų72.956%0.55535%0.346SS*.Hα-helixtrans-72.1-31.4177.3-168-164.566-141.1-11.8112.8L567 D568 Y569L567-R571 WeakPolarHBondContact O-CB 3.42Å; L567-R571 PolarHBondContact O-N 2.95Å; D568-R571 PolarHBondContact O-N 3.17Å; D568-R571 IonicContact OD1-CZ 2.64Å; D568-R571 IonicContact OD1-NE 2.91Å; D568-R571 IonicContact OD1-NH1 3.46Å; D568-R571 PolarHBondContact OD1-NH1 3.47Å; D568-R571 IonicContact OD1-NH2 2.56Å; D568-R571 PolarHBondContact OD1-NH2 2.97Å; Y569-R571 VanDerWaalsContact C-N 3.26Å; Y569-R571 PolarHBondContact O-N 3.25Å
572N63.1Low78.1Confident111 Ų11170.2 Ų70.259%0.59434%0.337SS*.Hα-helixtrans-79.9-27.5176.2-63.7-15.3000111.2D568 Y569 K574D568-N572 WeakPolarHBondContact O-CB 3.3Å; D568-N572 PolarHBondContact O-N 3.17Å; D568-N572 PolarHBondContact O-ND2 2.83Å; D568-N572 VanDerWaalsContact O-ND2 3.16Å; D568-N572 PolarHBondContact O-OD1 2.8Å; Y569-N572 CarbonylContact O-C 3.58Å; Y569-N572 PolarHBondContact O-N 3.27Å; N572-K574 PolarHBondContact O-N 3.46Å
573S74.4Confident79Confident12 Ų1267.9 Ų67.98%0.08433%0.325CS..THydrogen-bonded Turntrans-72.532.4179-144.90000114.3Y569 L570 Q575 V576 Q577Y569-S573 WeakPolarHBondContact O-CB 3.39Å; Y569-S573 PolarHBondContact O-N 2.79Å; Y569-S573 PolarHBondContact OH-OG 2.62Å; L570-S573 PolarHBondContact O-N 3.46Å; S573-Q575 PolarHBondContact O-N 3.43Å; S573-V576 PolarHBondContact O-N 2.88Å; S573-V576 VanDerWaalsContact OG-CB 3.32Å; S573-V576 WeakPolarHBondContact OG-CB 3.25Å; S573-V576 VanDerWaalsContact OG-CG2 3.24Å; S573-V576 WeakPolarHBondContact OG-CG2 3.22Å; S573-Q577 WeakPolarHBondContact O-CG 3.33Å; S573-Q577 PolarHBondContact O-N 3.3Å
574K77.9Confident79.9Confident147 Ų14769.2 Ų69.264%0.63933%0.328SS*.Hα-helixtrans-59.2-30.9172-72.6-177.8-179.8-176.20112.5N572 S578N572-K574 PolarHBondContact O-N 3.46Å; K574-S578 WeakPolarHBondContact O-CB 3.46Å; K574-S578 PolarHBondContact O-N 3.26Å
575Q83.3Confident80.8Confident133 Ų13366 Ų6662%0.62133%0.328SS*.Hα-helixtrans-60.1-58.9173.1-177.4171-11.400109.7S573 Q577 S578 Q579S573-Q575 PolarHBondContact O-N 3.43Å; Q575-Q577 VanDerWaalsContact C-N 3.31Å; Q575-Q577 PolarHBondContact O-N 3.46Å; Q575-S578 CarbonylContact O-C 3.59Å; Q575-S578 WeakPolarHBondContact O-CA 3.35Å; Q575-S578 WeakPolarHBondContact O-CB 3.5Å; Q575-S578 PolarHBondContact O-N 2.91Å; Q575-Q579 HydrophobicContact CG-CG 4.44Å; Q575-Q579 WeakPolarHBondContact O-CG 3.36Å; Q575-Q579 PolarHBondContact O-N 2.83Å
576V85.5Confident81.9Confident14 Ų1465.6 Ų65.69%0.08532%0.324CS..Hα-helixtrans-55.9-43177.31770000112L134 I204 S573 S578 Q579 L580L134-V576 HydrophobicContact CD2-CG1 3.88Å; I204-V576 HydrophobicContact CD1-CG1 3.88Å; I204-V576 HydrophobicContact CD1-CG2 4.1Å; I204-V576 HydrophobicContact CG1-CG1 4.07Å; S573-V576 PolarHBondContact O-N 2.88Å; S573-V576 VanDerWaalsContact OG-CB 3.32Å; S573-V576 WeakPolarHBondContact OG-CB 3.25Å; S573-V576 VanDerWaalsContact OG-CG2 3.24Å; S573-V576 WeakPolarHBondContact OG-CG2 3.22Å; V576-S578 VanDerWaalsContact C-N 3.31Å; V576-S578 PolarHBondContact O-N 2.84Å; V576-Q579 PolarHBondContact O-N 3.26Å; V576-L580 HydrophobicContact CG1-CD1 3.88Å; V576-L580 HydrophobicContact CG1-CG 4.18Å; V576-L580 WeakPolarHBondContact O-CB 3.28Å; V576-L580 VanDerWaalsContact O-CG 3.27Å; V576-L580 WeakPolarHBondContact O-CG 3.29Å; V576-L580 PolarHBondContact O-N 2.71Å
577Q86Confident83Confident103 Ų10365.2 Ų65.248%0.48132%0.322SS..Hα-helixtrans-59.5-41.3175.5-70.7173.39.500112.3L570 S573 Q575 Q581L570-Q577 PolarHBondContact O-NE2 2.81Å; L570-Q577 VanDerWaalsContact O-NE2 3.12Å; S573-Q577 WeakPolarHBondContact O-CG 3.33Å; S573-Q577 PolarHBondContact O-N 3.3Å; Q575-Q577 VanDerWaalsContact C-N 3.31Å; Q575-Q577 PolarHBondContact O-N 3.46Å; Q577-Q581 WeakPolarHBondContact O-CB 3.39Å; Q577-Q581 PolarHBondContact O-N 3.29Å
578S90.1Very high84.1Confident68 Ų6863.8 Ų63.848%0.47632%0.322SS..Hα-helixtrans-67.3-40.8174.2-164.80000112.2K574 Q575 V576 Q581 T582K574-S578 WeakPolarHBondContact O-CB 3.46Å; K574-S578 PolarHBondContact O-N 3.26Å; Q575-S578 CarbonylContact O-C 3.59Å; Q575-S578 WeakPolarHBondContact O-CA 3.35Å; Q575-S578 WeakPolarHBondContact O-CB 3.5Å; Q575-S578 PolarHBondContact O-N 2.91Å; V576-S578 VanDerWaalsContact C-N 3.31Å; V576-S578 PolarHBondContact O-N 2.84Å; S578-Q581 PolarHBondContact O-N 3.17Å; S578-T582 WeakPolarHBondContact O-CB 3.49Å; S578-T582 PolarHBondContact O-N 3.18Å; S578-T582 PolarHBondContact O-OG1 3.45Å
579Q90.6Very high85.4Confident8 Ų866.3 Ų66.34%0.03734%0.342CS..Hα-helixtrans-63-46.6177.7-64.8175.7-61.900111L134 W185 Q575 V576 Q581 T582 L583L134-Q579 HydrophobicContact CD2-CB 4.24Å; W185-Q579 HydrophobicContact CE3-CB 4.39Å; W185-Q579 HydrophobicContact CE3-CG 4Å; W185-Q579 HydrophobicContact CH2-CB 3.99Å; W185-Q579 HydrophobicContact CH2-CG 3.81Å; W185-Q579 HydrophobicContact CZ2-CB 4.37Å; W185-Q579 HydrophobicContact CZ3-CB 4.04Å; W185-Q579 HydrophobicContact CZ3-CG 3.47Å; W185-Q579 VanDerWaalsContact CZ3-CG 3.47Å; Q575-Q579 HydrophobicContact CG-CG 4.44Å; Q575-Q579 WeakPolarHBondContact O-CG 3.36Å; Q575-Q579 PolarHBondContact O-N 2.83Å; V576-Q579 PolarHBondContact O-N 3.26Å; Q579-Q581 PolarHBondContact O-N 3.02Å; Q579-T582 PolarHBondContact O-N 2.89Å; Q579-L583 WeakPolarHBondContact O-CB 3.28Å; Q579-L583 PolarHBondContact O-N 2.79Å
580L92.4Very high86.5Confident28 Ų2867.3 Ų67.315%0.14735%0.348CS..Hα-helixtrans-62.4-40.6175.2-67.9173.7000112.2E130 A131 L134 V576 R584E130-L580 HydrophobicContact CG-CB 4.41Å; E130-L580 HydrophobicContact CG-CD2 4.21Å; A131-L580 HydrophobicContact CB-CD2 4.02Å; L134-L580 HydrophobicContact CB-CD2 4.22Å; L134-L580 HydrophobicContact CD2-CD2 3.82Å; L134-L580 HydrophobicContact CD2-CG 4.03Å; V576-L580 HydrophobicContact CG1-CD1 3.88Å; V576-L580 HydrophobicContact CG1-CG 4.18Å; V576-L580 WeakPolarHBondContact O-CB 3.28Å; V576-L580 VanDerWaalsContact O-CG 3.27Å; V576-L580 WeakPolarHBondContact O-CG 3.29Å; V576-L580 PolarHBondContact O-N 2.71Å; L580-R584 VanDerWaalsContact O-CB 3.28Å; L580-R584 WeakPolarHBondContact O-CB 3.44Å; L580-R584 PolarHBondContact O-N 3.23Å
581Q92.9Very high87.9Confident137 Ų13768.3 Ų68.364%0.6435%0.351SS*.Hα-helixtrans-65.7-40.8175.9-177.7175-6.800112Q577 S578 Q579 S585Q577-Q581 WeakPolarHBondContact O-CB 3.39Å; Q577-Q581 PolarHBondContact O-N 3.29Å; S578-Q581 PolarHBondContact O-N 3.17Å; Q579-Q581 PolarHBondContact O-N 3.02Å; Q581-S585 WeakPolarHBondContact O-CB 3.17Å; Q581-S585 PolarHBondContact O-N 3.08Å; Q581-S585 VanDerWaalsContact O-N 3.09Å; Q581-S585 PolarHBondContact O-OG 3.12Å
582T94.7Very high89.4Confident51 Ų5164 Ų6431%0.31334%0.338SS..Hα-helixtrans-62-54.4174.6-610000110.3W185 S578 Q579 R584 S585 E586W185-T582 HydrophobicContact CH2-CG2 4.36Å; W185-T582 HydrophobicContact CZ2-CG2 3.95Å; S578-T582 WeakPolarHBondContact O-CB 3.49Å; S578-T582 PolarHBondContact O-N 3.18Å; S578-T582 PolarHBondContact O-OG1 3.45Å; Q579-T582 PolarHBondContact O-N 2.89Å; T582-R584 VanDerWaalsContact C-N 3.34Å; T582-R584 PolarHBondContact O-N 2.84Å; T582-S585 WeakPolarHBondContact O-CA 3.41Å; T582-S585 WeakPolarHBondContact O-CB 3.33Å; T582-S585 PolarHBondContact O-N 3.45Å; T582-E586 HydrophobicContact CG2-CG 4.4Å; T582-E586 VanDerWaalsContact CG2-OE1 3.31Å; T582-E586 WeakPolarHBondContact CG2-OE1 3.48Å; T582-E586 WeakPolarHBondContact O-CG 3.4Å; T582-E586 PolarHBondContact O-N 3.43Å
583L94.4Very high90.8Very high0 Ų064.3 Ų64.30%034%0.336CS..Hα-helixtrans-53.7-46.6176.8-85.8167.2000113.2E130 V133 L134 W185 Q579 S585 E586 I587E130-L583 HydrophobicContact CB-CB 3.85Å; E130-L583 WeakPolarHBondContact O-CD1 2.94Å; V133-L583 HydrophobicContact CB-CD1 4.23Å; V133-L583 HydrophobicContact CB-CD2 3.99Å; V133-L583 HydrophobicContact CG1-CD1 4.24Å; V133-L583 HydrophobicContact CG1-CD2 3.53Å; L134-L583 HydrophobicContact CB-CD1 3.86Å; W185-L583 HydrophobicContact CG-CD1 4.47Å; W185-L583 HydrophobicContact CZ2-CG 4.26Å; Q579-L583 WeakPolarHBondContact O-CB 3.28Å; Q579-L583 PolarHBondContact O-N 2.79Å; L583-S585 VanDerWaalsContact C-N 3.28Å; L583-S585 PolarHBondContact O-N 3.43Å; L583-E586 WeakPolarHBondContact O-CB 3.21Å; L583-E586 PolarHBondContact O-N 2.86Å; L583-E586 VanDerWaalsContact O-N 3.16Å; L583-I587 WeakPolarHBondContact O-CG1 3.35Å; L583-I587 PolarHBondContact O-N 3.42Å
584R94.5Very high91.6Very high83 Ų8372.5 Ų72.531%0.31337%0.373SS..Hα-helixtrans-61.4-38.8178-167.1179-178.7-149-1.1111.8E130 L580 T582 E586 A588 E604E130-R584 HydrophobicContact CB-CB 3.95Å; E130-R584 HydrophobicContact CG-CB 3.98Å; E130-R584 HydrophobicContact CG-CG 4.45Å; E130-R584 WeakPolarHBondContact OE1-CD 3.48Å; E130-R584 IonicContact OE1-NE 3.91Å; L580-R584 VanDerWaalsContact O-CB 3.28Å; L580-R584 WeakPolarHBondContact O-CB 3.44Å; L580-R584 PolarHBondContact O-N 3.23Å; T582-R584 VanDerWaalsContact C-N 3.34Å; T582-R584 PolarHBondContact O-N 2.84Å; R584-E586 VanDerWaalsContact C-N 3.34Å; R584-A588 WeakPolarHBondContact O-CB 3.33Å; R584-A588 PolarHBondContact O-N 3.04Å; R584-E604 IonicContact CZ-OE2 3.61Å; R584-E604 IonicContact NH2-OE1 2.7Å; R584-E604 PolarHBondContact NH2-OE1 3.27Å; R584-E604 IonicContact NH2-OE2 3.15Å; R584-E604 PolarHBondContact NH2-OE2 3.04Å
585S95.9Very high92.4Very high79 Ų7969.6 Ų69.655%0.55236%0.364SS*.Hα-helixtrans-70.1-31.8176.9-53.50000112.4Q581 T582 L583 P589Q581-S585 WeakPolarHBondContact O-CB 3.17Å; Q581-S585 PolarHBondContact O-N 3.08Å; Q581-S585 VanDerWaalsContact O-N 3.09Å; Q581-S585 PolarHBondContact O-OG 3.12Å; T582-S585 WeakPolarHBondContact O-CA 3.41Å; T582-S585 WeakPolarHBondContact O-CB 3.33Å; T582-S585 PolarHBondContact O-N 3.45Å; L583-S585 VanDerWaalsContact C-N 3.28Å; L583-S585 PolarHBondContact O-N 3.43Å; S585-P589 WeakPolarHBondContact O-CD 3.41Å
586E94.8Very high92.8Very high52 Ų5265 Ų6524%0.24334%0.343CS..Hα-helixtrans-76.3-37.1-179.7-78.9-179.3-173.600114.3R181 T582 L583 R584R181-E586 WeakPolarHBondContact CD-OE2 3.46Å; R181-E586 IonicContact CZ-OE2 2.85Å; R181-E586 IonicContact NE-OE2 3.98Å; R181-E586 IonicContact NH1-OE1 3.8Å; R181-E586 IonicContact NH1-OE2 3.26Å; R181-E586 PolarHBondContact NH1-OE2 3Å; R181-E586 PolarHBondContact NH2-O 2.93Å; T582-E586 HydrophobicContact CG2-CG 4.4Å; T582-E586 VanDerWaalsContact CG2-OE1 3.31Å; T582-E586 WeakPolarHBondContact CG2-OE1 3.48Å; T582-E586 WeakPolarHBondContact O-CG 3.4Å; T582-E586 PolarHBondContact O-N 3.43Å; L583-E586 WeakPolarHBondContact O-CB 3.21Å; L583-E586 PolarHBondContact O-N 2.86Å; L583-E586 VanDerWaalsContact O-N 3.16Å; R584-E586 VanDerWaalsContact C-N 3.34Å
587I94.4Very high93.2Very high0 Ų066.4 Ų66.40%035%0.353CS..Hα-helixtrans-89.5-27.4-178.868.4-171.8000112.8P129 E130 Y171 M173 W178 L583 P589 H590P129-I587 HydrophobicContact CB-CD1 3.63Å; E130-I587 HydrophobicContact CB-CD1 4.35Å; Y171-I587 HydrophobicContact CD1-CB 4.13Å; Y171-I587 VanDerWaalsContact CD1-O 3.27Å; Y171-I587 WeakPolarHBondContact CD1-O 3.5Å; Y171-I587 HydrophobicContact CE1-CB 3.81Å; Y171-I587 HydrophobicContact CE1-CD1 4.16Å; Y171-I587 HydrophobicContact CE1-CG1 3.7Å; Y171-I587 VanDerWaalsContact CE1-O 3.29Å; Y171-I587 WeakPolarHBondContact CE1-O 3.26Å; M173-I587 HydrophobicContact CE-CG2 4.5Å; M173-I587 HydrophobicContact SD-CB 4.34Å; M173-I587 HydrophobicContact SD-CG2 4.16Å; W178-I587 HydrophobicContact CH2-CG2 4.44Å; W178-I587 HydrophobicContact CZ3-CG2 4Å; L583-I587 WeakPolarHBondContact O-CG1 3.35Å; L583-I587 PolarHBondContact O-N 3.42Å; I587-P589 VanDerWaalsContact C-N 3.34Å; I587-H590 PolarHBondContact O-N 3.39Å
588A94.1Very high93.6Very high54 Ų5465.7 Ų65.745%0.44635%0.352SS..G310 helixtrans-51.1-37.9-177.700000115.7R584 H590 K591R584-A588 WeakPolarHBondContact O-CB 3.33Å; R584-A588 PolarHBondContact O-N 3.04Å; A588-H590 PolarHBondContact O-N 2.95Å; A588-H590 VanDerWaalsContact O-N 3.13Å; A588-K591 WeakPolarHBondContact O-CB 3.37Å; A588-K591 PolarHBondContact O-N 3.03Å
589P95.3Very high93.9Very high102 Ų10264.4 Ų64.466%0.66234%0.34SS*.G310 helixtrans-61.4-18.8176.9-25.136000115S585 I587S585-P589 WeakPolarHBondContact O-CD 3.41Å; I587-P589 VanDerWaalsContact C-N 3.34Å
590H94.2Very high94.1Very high56 Ų5664.4 Ų64.426%0.25934%0.341SS..G310 helixtrans-100.4-0.3-179-61.1-88.1000113.3Y171 Q172 M173 M177 I587 A588Y171-H590 CarbonylContact C-O 2.99Å; Y171-H590 WeakPolarHBondContact CA-O 3.45Å; Y171-H590 HydrophobicContact CD1-CB 4.22Å; Q172-H590 PolarHBondContact N-O 2.85Å; Q172-H590 PolarHBondContact O-ND1 3.29Å; M173-H590 HydrophobicContact CG-CB 3.63Å; M173-H590 HydrophobicContact SD-CB 4.11Å; M177-H590 VanDerWaalsContact CE-CE1 3.46Å; M177-H590 WeakPolarHBondContact CE-CE1 3.32Å; I587-H590 PolarHBondContact O-N 3.39Å; A588-H590 PolarHBondContact O-N 2.95Å; A588-H590 VanDerWaalsContact O-N 3.13Å
591K95.3Very high94.2Very high49 Ų4967.8 Ų67.821%0.21336%0.358CS..BIsolated β-bridgetrans-71.9130.9-170.1-166.9177.6171.1-1390112.4Y171 A588 E593Y171-K591 HydrophobicContact CD1-CB 3.9Å; Y171-K591 HydrophobicContact CD1-CG 4.33Å; Y171-K591 HydrophobicContact CE1-CB 3.58Å; Y171-K591 HydrophobicContact CE1-CD 4.29Å; Y171-K591 HydrophobicContact CE1-CG 3.8Å; A588-K591 WeakPolarHBondContact O-CB 3.37Å; A588-K591 PolarHBondContact O-N 3.03Å; K591-E593 VanDerWaalsContact CD-OE1 3.31Å; K591-E593 WeakPolarHBondContact CD-OE1 3.37Å; K591-E593 VanDerWaalsContact CE-OE1 3.26Å; K591-E593 WeakPolarHBondContact CE-OE1 3.34Å; K591-E593 IonicContact NZ-OE1 2.79Å; K591-E593 PolarHBondContact NZ-OE1 3.05Å; K591-E593 IonicContact NZ-OE2 3.21Å
592I94.3Very high94.4Very high56 Ų5663.1 Ų63.129%0.28734%0.337SS..  trans-95.996176-54.6172000107.6Q170 Q172 E594 N595Q170-I592 PolarHBondContact O-N 3.35Å; Q172-I592 HydrophobicContact CB-CD1 4.27Å; Q172-I592 HydrophobicContact CB-CG1 4.38Å; I592-E594 PolarHBondContact O-N 3.31Å; I592-E594 VanDerWaalsContact O-N 3.13Å; I592-N595 HydrophobicContact CB-CB 4.33Å; I592-N595 HydrophobicContact CG2-CB 4.17Å; I592-N595 PolarHBondContact O-N 3.23Å
593E91.7Very high94.4Very high118 Ų11860.9 Ų60.955%0.55132%0.323SS*.G310 helixtrans-57.9-30.2-173.8-73-69.9121.600113.5K591 N595 Q596K591-E593 VanDerWaalsContact CD-OE1 3.31Å; K591-E593 WeakPolarHBondContact CD-OE1 3.37Å; K591-E593 VanDerWaalsContact CE-OE1 3.26Å; K591-E593 WeakPolarHBondContact CE-OE1 3.34Å; K591-E593 IonicContact NZ-OE1 2.79Å; K591-E593 PolarHBondContact NZ-OE1 3.05Å; K591-E593 IonicContact NZ-OE2 3.21Å; E593-N595 VanDerWaalsContact C-N 3.29Å; E593-N595 PolarHBondContact O-N 3.46Å; E593-Q596 PolarHBondContact O-NE2 3.23Å; E593-Q596 PolarHBondContact OE2-NE2 2.91Å
594E92.3Very high94.4Very high185 Ų18562.8 Ų62.886%0.86433%0.332SS*.G310 helixtrans-69.2-21.4179-61.3-173.9167.800114I592I592-E594 PolarHBondContact O-N 3.31Å; I592-E594 VanDerWaalsContact O-N 3.13Å
595N93.6Very high94.4Very high85 Ų8561.5 Ų61.546%0.45534%0.339SS..G310 helixtrans-91.9-0.5-175.9-71.72.2000113.5D169 Q170 I592 E593D169-N595 PolarHBondContact O-ND2 2.95Å; Q170-N595 HydrophobicContact CG-CB 4.27Å; Q170-N595 WeakPolarHBondContact CG-O 3.34Å; I592-N595 HydrophobicContact CB-CB 4.33Å; I592-N595 HydrophobicContact CG2-CB 4.17Å; I592-N595 PolarHBondContact O-N 3.23Å; E593-N595 VanDerWaalsContact C-N 3.29Å; E593-N595 PolarHBondContact O-N 3.46Å
596Q92.9Very high94.2Very high38 Ų3858.3 Ų58.318%0.17832%0.315CS..  trans-62.5136-178.9-76.8172103.200112.8E593 D600 I601E593-Q596 PolarHBondContact O-NE2 3.23Å; E593-Q596 PolarHBondContact OE2-NE2 2.91Å; Q596-D600 HydrophobicContact CB-CB 4.31Å; Q596-D600 HydrophobicContact CG-CB 4.38Å; Q596-I601 HydrophobicContact CB-CG1 4.31Å
597S93.7Very high94.1Very high42 Ų4258.4 Ų58.429%0.29432%0.317SS..  trans-78.1163.6169.885.60000111.3L599 D600 I601S597-L599 PolarHBondContact O-N 3.5Å; S597-L599 VanDerWaalsContact O-N 3.16Å; S597-L599 PolarHBondContact OG-N 3.46Å; S597-L599 VanDerWaalsContact OG-N 3.15Å; S597-D600 WeakPolarHBondContact CA-OD2 3.23Å; S597-D600 WeakPolarHBondContact CB-OD2 3.41Å; S597-D600 PolarHBondContact N-OD2 3.01Å; S597-D600 PolarHBondContact O-N 2.56Å; S597-D600 VanDerWaalsContact O-N 3.11Å; S597-D600 PolarHBondContact OG-N 2.81Å; S597-D600 PolarHBondContact OG-OD2 3.09Å; S597-I601 PolarHBondContact O-N 3.02Å
598N94.7Very high94Very high88 Ų8865.9 Ų65.947%0.47135%0.35SS..Hα-helixtrans-56.2-28.1171177.588.7000112.7R241 L602R241-N598 PolarHBondContact O-ND2 3.11Å; N598-L602 WeakPolarHBondContact ND2-CD1 3.4Å; N598-L602 WeakPolarHBondContact O-CB 3.45Å; N598-L602 WeakPolarHBondContact O-CD1 3.23Å; N598-L602 VanDerWaalsContact O-CG 3.23Å; N598-L602 WeakPolarHBondContact O-CG 3.39Å; N598-L602 PolarHBondContact O-N 3.3Å; N598-L602 VanDerWaalsContact O-N 3.14Å
599L95.5Very high94Very high41 Ų4166.6 Ų66.622%0.21536%0.355CS..Hα-helixtrans-75.5-34.9178.1-60.5173000111.9Y126 L244 S597 L602 S603Y126-L599 HydrophobicContact CD2-CB 3.6Å; Y126-L599 HydrophobicContact CD2-CD1 4.06Å; Y126-L599 HydrophobicContact CD2-CG 4.47Å; Y126-L599 HydrophobicContact CE2-CB 3.83Å; Y126-L599 HydrophobicContact CG-CB 4.01Å; Y126-L599 HydrophobicContact CG-CD1 4.32Å; L244-L599 HydrophobicContact CD1-CB 4.44Å; L244-L599 HydrophobicContact CD1-CD2 4.47Å; L244-L599 WeakPolarHBondContact CD1-O 3.48Å; L244-L599 HydrophobicContact CD2-CD2 4.23Å; L244-L599 HydrophobicContact CG-CD2 4.04Å; S597-L599 PolarHBondContact O-N 3.5Å; S597-L599 VanDerWaalsContact O-N 3.16Å; S597-L599 PolarHBondContact OG-N 3.46Å; S597-L599 VanDerWaalsContact OG-N 3.15Å; L599-L602 PolarHBondContact O-N 3.23Å; L599-S603 WeakPolarHBondContact O-CB 3.39Å; L599-S603 PolarHBondContact O-N 2.91Å
600D94.9Very high93.7Very high9 Ų964.8 Ų64.85%0.04836%0.356CS..Hα-helixtrans-65.5-43.8174.5-55.3-75.1000111.1Y126 Q170 Q596 S597 L602 S603 E604Y126-D600 VanDerWaalsContact CE2-OD1 3.31Å; Y126-D600 WeakPolarHBondContact CE2-OD1 3.09Å; Y126-D600 WeakPolarHBondContact OH-CA 3.39Å; Y126-D600 PolarHBondContact OH-OD1 3.2Å; Q170-D600 VanDerWaalsContact NE2-CG 3.26Å; Q170-D600 PolarHBondContact NE2-OD1 3.14Å; Q170-D600 PolarHBondContact NE2-OD2 3.36Å; Q596-D600 HydrophobicContact CB-CB 4.31Å; Q596-D600 HydrophobicContact CG-CB 4.38Å; S597-D600 WeakPolarHBondContact CA-OD2 3.23Å; S597-D600 WeakPolarHBondContact CB-OD2 3.41Å; S597-D600 PolarHBondContact N-OD2 3.01Å; S597-D600 PolarHBondContact O-N 2.56Å; S597-D600 VanDerWaalsContact O-N 3.11Å; S597-D600 PolarHBondContact OG-N 2.81Å; S597-D600 PolarHBondContact OG-OD2 3.09Å; D600-L602 VanDerWaalsContact C-N 3.33Å; D600-L602 PolarHBondContact O-N 3.28Å; D600-S603 PolarHBondContact O-N 3.01Å; D600-E604 VanDerWaalsContact O-CB 3.24Å; D600-E604 WeakPolarHBondContact O-CB 3.4Å; D600-E604 PolarHBondContact O-N 2.97Å
601I95.3Very high93.5Very high99 Ų9964.8 Ų64.851%0.50836%0.355SS..Hα-helixtrans-61.2-42.5176.4-62.4169.3000111Q596 S597 A605Q596-I601 HydrophobicContact CB-CG1 4.31Å; S597-I601 PolarHBondContact O-N 3.02Å; I601-A605 WeakPolarHBondContact O-CB 3.37Å; I601-A605 PolarHBondContact O-N 3.25Å; I601-A605 VanDerWaalsContact O-N 3.1Å
602L95.7Very high93.1Very high38 Ų3866 Ų6620%0.19936%0.364CS..Hα-helixtrans-67.3-44.2176.5-74.1167.8000112.3D242 L244 N598 L599 D600 A605 Q606D242-L602 HydrophobicContact CB-CD1 3.85Å; D242-L602 HydrophobicContact CB-CD2 4.25Å; L244-L602 HydrophobicContact CD1-CB 3.99Å; N598-L602 WeakPolarHBondContact ND2-CD1 3.4Å; N598-L602 WeakPolarHBondContact O-CB 3.45Å; N598-L602 WeakPolarHBondContact O-CD1 3.23Å; N598-L602 VanDerWaalsContact O-CG 3.23Å; N598-L602 WeakPolarHBondContact O-CG 3.39Å; N598-L602 PolarHBondContact O-N 3.3Å; N598-L602 VanDerWaalsContact O-N 3.14Å; L599-L602 PolarHBondContact O-N 3.23Å; D600-L602 VanDerWaalsContact C-N 3.33Å; D600-L602 PolarHBondContact O-N 3.28Å; L602-A605 WeakPolarHBondContact O-CB 3.15Å; L602-A605 PolarHBondContact O-N 2.93Å; L602-Q606 WeakPolarHBondContact O-CG 3.45Å; L602-Q606 PolarHBondContact O-N 3.45Å
603S94.7Very high92.8Very high4 Ų464.7 Ų64.73%0.02836%0.357CS..Hα-helixtrans-68.2-38.9-179.9-162.60000112R128 L599 D600 A605 Q606 I607R128-S603 WeakPolarHBondContact CD-OG 3.47Å; L599-S603 WeakPolarHBondContact O-CB 3.39Å; L599-S603 PolarHBondContact O-N 2.91Å; D600-S603 PolarHBondContact O-N 3.01Å; S603-A605 VanDerWaalsContact C-N 3.29Å; S603-A605 PolarHBondContact O-N 2.71Å; S603-Q606 WeakPolarHBondContact O-CB 3.46Å; S603-Q606 PolarHBondContact O-N 3.38Å; S603-I607 WeakPolarHBondContact O-CG1 3.21Å; S603-I607 PolarHBondContact O-N 3.47Å
604E93.7Very high92.6Very high41 Ų4161.8 Ų61.819%0.19234%0.341CS..Hα-helixtrans-62.3-36.1171.8-177.865.9-124.700111.7R584 D600 K608R584-E604 IonicContact CZ-OE2 3.61Å; R584-E604 IonicContact NH2-OE1 2.7Å; R584-E604 PolarHBondContact NH2-OE1 3.27Å; R584-E604 IonicContact NH2-OE2 3.15Å; R584-E604 PolarHBondContact NH2-OE2 3.04Å; D600-E604 VanDerWaalsContact O-CB 3.24Å; D600-E604 WeakPolarHBondContact O-CB 3.4Å; D600-E604 PolarHBondContact O-N 2.97Å; E604-K608 HydrophobicContact CG-CD 4.16Å; E604-K608 WeakPolarHBondContact O-CB 3.41Å; E604-K608 WeakPolarHBondContact O-CD 3.42Å; E604-K608 VanDerWaalsContact O-CG 3.3Å; E604-K608 WeakPolarHBondContact O-CG 2.94Å; E604-K608 PolarHBondContact O-N 2.92Å; E604-K608 WeakPolarHBondContact OE1-CE 3.43Å; E604-K608 IonicContact OE1-NZ 3.24Å; E604-K608 PolarHBondContact OE1-NZ 3.13Å
605A95Very high92.4Very high55 Ų5555.2 Ų55.246%0.45532%0.315SS..Hα-helixtrans-67.7-40.617400000112.7I601 L602 S603 K608 A609I601-A605 WeakPolarHBondContact O-CB 3.37Å; I601-A605 PolarHBondContact O-N 3.25Å; I601-A605 VanDerWaalsContact O-N 3.1Å; L602-A605 WeakPolarHBondContact O-CB 3.15Å; L602-A605 PolarHBondContact O-N 2.93Å; S603-A605 VanDerWaalsContact C-N 3.29Å; S603-A605 PolarHBondContact O-N 2.71Å; A605-K608 PolarHBondContact O-N 2.64Å; A605-A609 PolarHBondContact O-N 2.89Å
606Q93.2Very high92.2Very high12 Ų1251.4 Ų51.46%0.05630%0.295CS..Hα-helixtrans-59.5-47.6173.1-69172.9-31.100111.3T245 L602 S603 K608 A609 G610 E611T245-Q606 PolarHBondContact OG1-NE2 2.75Å; L602-Q606 WeakPolarHBondContact O-CG 3.45Å; L602-Q606 PolarHBondContact O-N 3.45Å; S603-Q606 WeakPolarHBondContact O-CB 3.46Å; S603-Q606 PolarHBondContact O-N 3.38Å; Q606-K608 VanDerWaalsContact C-N 3.34Å; Q606-K608 PolarHBondContact O-N 2.75Å; Q606-A609 CarbonylContact O-C 3.56Å; Q606-A609 PolarHBondContact O-N 2.64Å; Q606-A609 VanDerWaalsContact O-N 3.09Å; Q606-G610 PolarHBondContact O-N 3.03Å; Q606-G610 VanDerWaalsContact O-N 3.1Å; Q606-E611 PolarHBondContact O-N 2.81Å
607I90.8Very high92Very high54 Ų5451 Ų5128%0.27729%0.294SS..Hα-helixtrans-59.1-44.6177.1-67.6164.8000111.2S603 A609 G610S603-I607 WeakPolarHBondContact O-CG1 3.21Å; S603-I607 PolarHBondContact O-N 3.47Å; I607-A609 VanDerWaalsContact C-N 3.25Å; I607-A609 PolarHBondContact O-N 3.05Å; I607-G610 PolarHBondContact O-N 2.98Å
608K93.5Very high91.7Very high158 Ų15855.1 Ų55.169%0.68731%0.307SS*.Hα-helixtrans-64.7-27.6177.3-76.5165.7176.7157.80113.3E604 A605 Q606 G610E604-K608 HydrophobicContact CG-CD 4.16Å; E604-K608 WeakPolarHBondContact O-CB 3.41Å; E604-K608 WeakPolarHBondContact O-CD 3.42Å; E604-K608 VanDerWaalsContact O-CG 3.3Å; E604-K608 WeakPolarHBondContact O-CG 2.94Å; E604-K608 PolarHBondContact O-N 2.92Å; E604-K608 WeakPolarHBondContact OE1-CE 3.43Å; E604-K608 IonicContact OE1-NZ 3.24Å; E604-K608 PolarHBondContact OE1-NZ 3.13Å; A605-K608 PolarHBondContact O-N 2.64Å; Q606-K608 VanDerWaalsContact C-N 3.34Å; Q606-K608 PolarHBondContact O-N 2.75Å; K608-G610 VanDerWaalsContact C-N 3.33Å
609A93.1Very high91.5Very high68 Ų6856.6 Ų56.656%0.56231%0.309SS*.Hα-helixtrans-81.8-10172.400000113.6A605 Q606 I607 E611A605-A609 PolarHBondContact O-N 2.89Å; Q606-A609 CarbonylContact O-C 3.56Å; Q606-A609 PolarHBondContact O-N 2.64Å; Q606-A609 VanDerWaalsContact O-N 3.09Å; I607-A609 VanDerWaalsContact C-N 3.25Å; I607-A609 PolarHBondContact O-N 3.05Å; A609-E611 HydrophobicContact CB-CB 4.48Å; A609-E611 HydrophobicContact CB-CG 3.9Å
610G89.6Confident91.3Very high65 Ų6556.2 Ų56.267%0.6731%0.307SS*.THydrogen-bonded Turntrans72.217.3-171.100000113.7Q606 I607 K608Q606-G610 PolarHBondContact O-N 3.03Å; Q606-G610 VanDerWaalsContact O-N 3.1Å; I607-G610 PolarHBondContact O-N 2.98Å; K608-G610 VanDerWaalsContact C-N 3.33Å
611E89Confident91Very high55 Ų5557.8 Ų57.826%0.25731%0.313SS..  trans-93.8151.4-178.6-58-16013800111.6Q606 A609 K619Q606-E611 PolarHBondContact O-N 2.81Å; A609-E611 HydrophobicContact CB-CB 4.48Å; A609-E611 HydrophobicContact CB-CG 3.9Å; E611-K619 WeakPolarHBondContact OE1-CD 3.39Å; E611-K619 WeakPolarHBondContact OE1-CE 3.42Å; E611-K619 IonicContact OE1-NZ 2.79Å; E611-K619 PolarHBondContact OE1-NZ 2.91Å; E611-K619 IonicContact OE2-NZ 2.61Å; E611-K619 PolarHBondContact OE2-NZ 2.92Å
612N87.2Confident90.5Very high75 Ų7558 Ų5840%0.40132%0.324SS..  trans-150167.3176.366.712.4000109.7Y614 S615 T616N612-Y614 VanDerWaalsContact C-N 3.27Å; N612-Y614 PolarHBondContact O-N 2.85Å; N612-Y614 PolarHBondContact OD1-N 3.31Å; N612-S615 PolarHBondContact N-OG 3.06Å; N612-S615 PolarHBondContact O-N 3.06Å; N612-S615 VanDerWaalsContact O-N 3.14Å; N612-S615 PolarHBondContact O-OG 3.4Å; N612-S615 WeakPolarHBondContact OD1-CB 3.25Å; N612-S615 PolarHBondContact OD1-N 3.48Å; N612-S615 PolarHBondContact OD1-OG 2.84Å; N612-T616 WeakPolarHBondContact O-CB 3.44Å; N612-T616 PolarHBondContact O-N 3.33Å; N612-T616 PolarHBondContact O-OG1 2.86Å
613K89.2Confident89.9Confident28 Ų2857.5 Ų57.512%0.12233%0.328CS..Hα-helixtrans-32.5-55.6177-168.7171.8-170.1168.10114.4Q206 D207 L208 D209 Y211 L617Q206-K613 PolarHBondContact O-NZ 2.92Å; D207-K613 WeakPolarHBondContact O-CD 3.44Å; L208-K613 PolarHBondContact O-NZ 2.79Å; D209-K613 VanDerWaalsContact OD1-CA 3.3Å; D209-K613 WeakPolarHBondContact OD1-CA 2.92Å; D209-K613 WeakPolarHBondContact OD1-CB 3.18Å; D209-K613 PolarHBondContact OD1-N 2.61Å; Y211-K613 PolarHBondContact O-NZ 3.17Å; Y211-K613 VanDerWaalsContact O-NZ 3.16Å; K613-L617 HydrophobicContact CG-CD1 4.29Å; K613-L617 WeakPolarHBondContact O-CB 3.41Å; K613-L617 WeakPolarHBondContact O-CG 3.46Å; K613-L617 PolarHBondContact O-N 3.33Å
614Y86.3Confident89.8Confident57 Ų5761 Ų6122%0.22435%0.352CS..Hα-helixtrans-76.5-41.1-173.5-55.7-77.6000114Q206 D207 H566 L570 N612 K618Q206-Y614 PolarHBondContact O-OH 2.9Å; D207-Y614 HydrophobicContact CB-CE2 4.29Å; D207-Y614 PolarHBondContact OD1-OH 3.27Å; H566-Y614 AromaticContact CD2-CE1 3.8Å; H566-Y614 AromaticContact CD2-CZ 3.8Å; H566-Y614 AromaticContact CE1-CE2 3.97Å; H566-Y614 AromaticContact CE1-CZ 3.65Å; H566-Y614 PolarHBondContact CE1-OH 3.36Å; H566-Y614 AromaticContact NE2-CD2 3.74Å; H566-Y614 AromaticContact NE2-CE1 3.64Å; H566-Y614 AromaticContact NE2-CE2 3.19Å; H566-Y614 WeakPolarHBondContact NE2-CE2 3.43Å; H566-Y614 AromaticContact NE2-CZ 3.13Å; H566-Y614 PolarHBondContact NE2-OH 3.18Å; L570-Y614 HydrophobicContact CD1-CD2 4.08Å; L570-Y614 HydrophobicContact CD1-CE2 4.4Å; N612-Y614 VanDerWaalsContact C-N 3.27Å; N612-Y614 PolarHBondContact O-N 2.85Å; N612-Y614 PolarHBondContact OD1-N 3.31Å; Y614-K618 VanDerWaalsContact O-CB 3.25Å; Y614-K618 WeakPolarHBondContact O-CB 3.45Å; Y614-K618 PolarHBondContact O-N 2.94Å
615S88.2Confident89.7Confident47 Ų4760.5 Ų60.533%0.32935%0.352SS..Hα-helixtrans-67.2-39.8175.355.30000111.7N612 K618 K619N612-S615 PolarHBondContact N-OG 3.06Å; N612-S615 PolarHBondContact O-N 3.06Å; N612-S615 VanDerWaalsContact O-N 3.14Å; N612-S615 PolarHBondContact O-OG 3.4Å; N612-S615 WeakPolarHBondContact OD1-CB 3.25Å; N612-S615 PolarHBondContact OD1-N 3.48Å; N612-S615 PolarHBondContact OD1-OG 2.84Å; S615-K618 PolarHBondContact O-N 2.77Å; S615-K619 VanDerWaalsContact O-CB 3.27Å; S615-K619 WeakPolarHBondContact O-CB 3.33Å; S615-K619 PolarHBondContact O-N 3.1Å
616T90.5Very high89.6Confident5 Ų564.5 Ų64.53%0.03136%0.359CS..Hα-helixtrans-60-52.2172.5-58.40000111T245 P246 N612 K618 K619 L620T245-T616 HydrophobicContact CG2-CG2 3.9Å; P246-T616 HydrophobicContact CG-CG2 4.2Å; N612-T616 WeakPolarHBondContact O-CB 3.44Å; N612-T616 PolarHBondContact O-N 3.33Å; N612-T616 PolarHBondContact O-OG1 2.86Å; T616-K618 VanDerWaalsContact C-N 3.34Å; T616-K618 PolarHBondContact O-N 3.01Å; T616-K619 WeakPolarHBondContact O-CB 3.28Å; T616-K619 PolarHBondContact O-N 3.07Å; T616-L620 HydrophobicContact CG2-CD1 4.46Å; T616-L620 WeakPolarHBondContact O-CG 3.47Å; T616-L620 PolarHBondContact O-N 2.85Å
617L88.1Confident89.7Confident30 Ų3066.4 Ų66.416%0.15738%0.377CS..Hα-helixtrans-59.9-43.1177.5-72.6169.6000111.9P246 K613 K619 L620 K621P246-L617 HydrophobicContact CG-CD2 4.3Å; K613-L617 HydrophobicContact CG-CD1 4.29Å; K613-L617 WeakPolarHBondContact O-CB 3.41Å; K613-L617 WeakPolarHBondContact O-CG 3.46Å; K613-L617 PolarHBondContact O-N 3.33Å; L617-K619 PolarHBondContact O-N 3.18Å; L617-L620 PolarHBondContact O-N 3.31Å; L617-K621 VanDerWaalsContact O-CG 3.3Å; L617-K621 WeakPolarHBondContact O-CG 3.39Å; L617-K621 PolarHBondContact O-N 3.48Å
618K87.4Confident89.9Confident129 Ų12964.7 Ų64.756%0.56137%0.367SS*.Hα-helixtrans-62.8-40.3177.3-174.8165.8-174.6158.30112.9Y614 S615 T616 K621 S622Y614-K618 VanDerWaalsContact O-CB 3.25Å; Y614-K618 WeakPolarHBondContact O-CB 3.45Å; Y614-K618 PolarHBondContact O-N 2.94Å; S615-K618 PolarHBondContact O-N 2.77Å; T616-K618 VanDerWaalsContact C-N 3.34Å; T616-K618 PolarHBondContact O-N 3.01Å; K618-K621 PolarHBondContact O-N 3.38Å; K618-S622 PolarHBondContact O-N 3.35Å
619K90.9Very high89.9Confident119 Ų11957.2 Ų57.252%0.51734%0.335SS..Hα-helixtrans-59.3-46.4173.2178.7-176.6177.2-174.60110.8E611 S615 T616 L617 S622E611-K619 WeakPolarHBondContact OE1-CD 3.39Å; E611-K619 WeakPolarHBondContact OE1-CE 3.42Å; E611-K619 IonicContact OE1-NZ 2.79Å; E611-K619 PolarHBondContact OE1-NZ 2.91Å; E611-K619 IonicContact OE2-NZ 2.61Å; E611-K619 PolarHBondContact OE2-NZ 2.92Å; S615-K619 VanDerWaalsContact O-CB 3.27Å; S615-K619 WeakPolarHBondContact O-CB 3.33Å; S615-K619 PolarHBondContact O-N 3.1Å; T616-K619 WeakPolarHBondContact O-CB 3.28Å; T616-K619 PolarHBondContact O-N 3.07Å; L617-K619 PolarHBondContact O-N 3.18Å; K619-S622 WeakPolarHBondContact O-CB 3.25Å; K619-S622 PolarHBondContact O-N 2.96Å; K619-S622 PolarHBondContact O-OG 3.07Å
620L91.6Very high89.9Confident32 Ų3256 Ų5617%0.16833%0.325CS..Hα-helixtrans-66.8-41178.3-63175.6000113.4P246 K247 T249 T616 L617 S622 R628P246-L620 HydrophobicContact CB-CD1 3.84Å; P246-L620 HydrophobicContact CG-CD1 3.72Å; P246-L620 WeakPolarHBondContact O-CD1 3.12Å; K247-L620 VanDerWaalsContact O-CD2 3.31Å; K247-L620 WeakPolarHBondContact O-CD2 3.43Å; T249-L620 HydrophobicContact CG2-CB 3.74Å; T616-L620 HydrophobicContact CG2-CD1 4.46Å; T616-L620 WeakPolarHBondContact O-CG 3.47Å; T616-L620 PolarHBondContact O-N 2.85Å; L617-L620 PolarHBondContact O-N 3.31Å; L620-S622 PolarHBondContact O-N 3.13Å; L620-R628 WeakPolarHBondContact O-CD 3.48Å
621K87.9Confident90.1Very high42 Ų4257 Ų5718%0.18331%0.311CS..Hα-helixtrans-57.6-28.2178-73.5175.6-175.5-161.60113.6T249 Q251 E563 L617 K618 G623T249-K621 HydrophobicContact CG2-CG 4.24Å; Q251-K621 VanDerWaalsContact CD-CE 3.47Å; Q251-K621 VanDerWaalsContact OE1-CD 3.22Å; E563-K621 IonicContact OE1-NZ 2.66Å; E563-K621 PolarHBondContact OE1-NZ 3.28Å; L617-K621 VanDerWaalsContact O-CG 3.3Å; L617-K621 WeakPolarHBondContact O-CG 3.39Å; L617-K621 PolarHBondContact O-N 3.48Å; K618-K621 PolarHBondContact O-N 3.38Å; K621-G623 PolarHBondContact O-N 3.01Å
622S84.9Confident90.4Very high104 Ų10454.4 Ų54.473%0.72730%0.298SS*.THydrogen-bonded Turntrans-62.4-23.4-17471.50000115.2K618 K619 L620K618-S622 PolarHBondContact O-N 3.35Å; K619-S622 WeakPolarHBondContact O-CB 3.25Å; K619-S622 PolarHBondContact O-N 2.96Å; K619-S622 PolarHBondContact O-OG 3.07Å; L620-S622 PolarHBondContact O-N 3.13Å
623G83.9Confident90.6Very high27 Ų2752.5 Ų52.528%0.27829%0.287SS..SBendtrans-80.1141.1175.900000112.3K621 R628K621-G623 PolarHBondContact O-N 3.01Å; G623-R628 VanDerWaalsContact O-CZ 3.3Å; G623-R628 PolarHBondContact O-NE 3.04Å; G623-R628 PolarHBondContact O-NH2 3.11Å
624S91.5Very high90.7Very high77 Ų7758.4 Ų58.454%0.53832%0.315SS..  trans-54.8146.1171.471.80000111.6K626 A627 R628S624-K626 PolarHBondContact O-N 2.96Å; S624-K626 VanDerWaalsContact O-N 3.13Å; S624-A627 WeakPolarHBondContact O-CB 3.37Å; S624-A627 PolarHBondContact O-N 3.13Å; S624-A627 PolarHBondContact OG-N 2.81Å; S624-R628 PolarHBondContact O-N 2.85Å
625T92.1Very high91Very high31 Ų3158.4 Ų58.419%0.1932%0.319CS..Hα-helixtrans-55.2-36.2-179.3-29.50000111.7F250 E254 L269 R628 V629F250-T625 HydrophobicContact CD1-CG2 3.95Å; F250-T625 HydrophobicContact CE1-CG2 4.2Å; E254-T625 HydrophobicContact CB-CG2 4.29Å; E254-T625 WeakPolarHBondContact OE1-CB 3.35Å; E254-T625 VanDerWaalsContact OE1-CG2 3.23Å; E254-T625 WeakPolarHBondContact OE1-CG2 3.33Å; E254-T625 PolarHBondContact OE1-OG1 3.13Å; L269-T625 HydrophobicContact CD1-CG2 3.77Å; L269-T625 HydrophobicContact CD2-CG2 4.1Å; L269-T625 HydrophobicContact CG-CG2 4.49Å; T625-R628 PolarHBondContact O-N 3.34Å; T625-V629 WeakPolarHBondContact O-CG2 3.23Å; T625-V629 PolarHBondContact O-N 3.39Å
626K93.3Very high91.1Very high139 Ų13959 Ų5960%0.60432%0.318SS*.Hα-helixtrans-59.6-45.1173.4-172.6178176.9179.80113.3V274 S624 R628 V629 A630V274-K626 HydrophobicContact CG1-CB 4.12Å; V274-K626 HydrophobicContact CG1-CG 4.44Å; V274-K626 HydrophobicContact CG2-CB 4.04Å; S624-K626 PolarHBondContact O-N 2.96Å; S624-K626 VanDerWaalsContact O-N 3.13Å; K626-R628 VanDerWaalsContact C-N 3.34Å; K626-V629 PolarHBondContact O-N 3.36Å; K626-A630 PolarHBondContact O-N 3.07Å
627A94.5Very high91.1Very high52 Ų5261.8 Ų61.843%0.4333%0.333SS..Hα-helixtrans-66.5-37.9177.200000111.3S624 A630 F631S624-A627 WeakPolarHBondContact O-CB 3.37Å; S624-A627 PolarHBondContact O-N 3.13Å; S624-A627 PolarHBondContact OG-N 2.81Å; A627-A630 PolarHBondContact O-N 3.48Å; A627-F631 VanDerWaalsContact O-CB 3.32Å; A627-F631 WeakPolarHBondContact O-CB 3.02Å; A627-F631 PolarHBondContact O-N 3.1Å
628R94.8Very high91.3Very high19 Ų1963.6 Ų63.67%0.07234%0.343CS..Hα-helixtrans-68.1-34.2176.4-78.9-175-84.4118.5-0.2113.9T248 T249 F250 E254 L620 G623 S624 T625 K626 F632T248-R628 WeakPolarHBondContact OG1-CB 3.27Å; T248-R628 WeakPolarHBondContact OG1-CG 3.33Å; T249-R628 WeakPolarHBondContact O-CD 3.2Å; T249-R628 PolarHBondContact O-NH1 2.8Å; F250-R628 HydrophobicContact CE1-CB 3.76Å; F250-R628 HydrophobicContact CZ-CB 4.14Å; E254-R628 VanDerWaalsContact CD-NH1 3.34Å; E254-R628 IonicContact OE1-CZ 3.19Å; E254-R628 IonicContact OE1-NH1 2.92Å; E254-R628 PolarHBondContact OE1-NH1 3.19Å; E254-R628 VanDerWaalsContact OE1-NH1 3.13Å; E254-R628 IonicContact OE1-NH2 2.69Å; E254-R628 PolarHBondContact OE1-NH2 3.37Å; E254-R628 IonicContact OE2-CZ 2.67Å; E254-R628 IonicContact OE2-NH1 3.86Å; E254-R628 PolarHBondContact OE2-NH1 3.1Å; E254-R628 IonicContact OE2-NH2 3.79Å; L620-R628 WeakPolarHBondContact O-CD 3.48Å; G623-R628 VanDerWaalsContact O-CZ 3.3Å; G623-R628 PolarHBondContact O-NE 3.04Å; G623-R628 PolarHBondContact O-NH2 3.11Å; S624-R628 PolarHBondContact O-N 2.85Å; T625-R628 PolarHBondContact O-N 3.34Å; K626-R628 VanDerWaalsContact C-N 3.34Å; R628-F632 PolarHBondContact O-N 3.29Å
629V93.9Very high91.5Very high1 Ų159.7 Ų59.71%0.00633%0.33CS..Hα-helixtrans-68.7-46.8169.9176.20000111F250 L269 V274 F277 T625 K626 F631 F632 E633F250-V629 HydrophobicContact CE1-CG2 3.69Å; F250-V629 HydrophobicContact CZ-CG2 3.94Å; L269-V629 HydrophobicContact CD1-CG2 3.71Å; V274-V629 HydrophobicContact CG1-CB 4.45Å; V274-V629 HydrophobicContact CG1-CG2 4.08Å; F277-V629 HydrophobicContact CB-CG2 4.23Å; T625-V629 WeakPolarHBondContact O-CG2 3.23Å; T625-V629 PolarHBondContact O-N 3.39Å; K626-V629 PolarHBondContact O-N 3.36Å; V629-F631 PolarHBondContact O-N 2.89Å; V629-F632 PolarHBondContact O-N 3.04Å; V629-E633 WeakPolarHBondContact O-CG 3.29Å; V629-E633 PolarHBondContact O-N 3.25Å
630A93.4Very high91.6Very high43 Ų4356 Ų5636%0.35532%0.319SS..Hα-helixtrans-57.3-49.5178.300000111.6K626 A627 F632 E633 E634K626-A630 PolarHBondContact O-N 3.07Å; A627-A630 PolarHBondContact O-N 3.48Å; A630-F632 VanDerWaalsContact C-N 3.32Å; A630-F632 PolarHBondContact O-N 3.11Å; A630-E633 CarbonylContact O-C 3.57Å; A630-E633 PolarHBondContact O-N 3.42Å; A630-E634 WeakPolarHBondContact O-CG 3.32Å; A630-E634 PolarHBondContact O-N 2.65Å; A630-E634 VanDerWaalsContact O-N 3.09Å
631F94.4Very high91.6Very high85 Ų8557.6 Ų57.637%0.37333%0.329SS..Hα-helixtrans-55.4-41.3176.7175.8-99.5000113.1K247 T248 A627 V629 E633 E634 L635K247-F631 HydrophobicContact CB-CE1 4Å; K247-F631 HydrophobicContact CB-CZ 4.4Å; K247-F631 VanDerWaalsContact O-CE1 3.27Å; K247-F631 WeakPolarHBondContact O-CE1 3.09Å; T248-F631 HydrophobicContact CG2-CD1 4.35Å; A627-F631 VanDerWaalsContact O-CB 3.32Å; A627-F631 WeakPolarHBondContact O-CB 3.02Å; A627-F631 PolarHBondContact O-N 3.1Å; V629-F631 PolarHBondContact O-N 2.89Å; F631-E633 VanDerWaalsContact C-N 3.31Å; F631-E633 PolarHBondContact O-N 3.19Å; F631-E634 PolarHBondContact O-N 2.66Å; F631-E634 VanDerWaalsContact O-N 3.16Å; F631-L635 HydrophobicContact CE1-CD1 4.46Å; F631-L635 HydrophobicContact CE1-CD2 4.26Å; F631-L635 HydrophobicContact CZ-CD2 4.06Å; F631-L635 PolarHBondContact O-N 3.45Å
632F94.1Very high91.8Very high0 Ų058.7 Ų58.70%034%0.339CS..Hα-helixtrans-62.8-34.8176168.4-92.2000113.5I218 N220 L226 I237 T248 F277 I278 F279 R628 V629 A630 E634I218-F632 HydrophobicContact CD1-CE2 4.19Å; I218-F632 HydrophobicContact CD1-CZ 4.44Å; N220-F632 HydrophobicContact CB-CD1 4.23Å; N220-F632 HydrophobicContact CB-CE1 3.43Å; N220-F632 VanDerWaalsContact CB-CE1 3.43Å; N220-F632 HydrophobicContact CB-CE2 4.09Å; N220-F632 HydrophobicContact CB-CZ 3.35Å; N220-F632 PolarHBondContact ND2-O 2.93Å; L226-F632 HydrophobicContact CD1-CD2 4.04Å; L226-F632 HydrophobicContact CD1-CE2 3.56Å; L226-F632 HydrophobicContact CD1-CZ 4.35Å; I237-F632 HydrophobicContact CB-CD2 4.46Å; I237-F632 HydrophobicContact CD1-CE2 4.35Å; I237-F632 HydrophobicContact CG1-CD2 4.06Å; I237-F632 HydrophobicContact CG1-CE2 4.35Å; I237-F632 HydrophobicContact CG2-CD2 3.92Å; I237-F632 HydrophobicContact CG2-CE2 3.96Å; T248-F632 HydrophobicContact CG2-CB 4.41Å; F277-F632 AromaticContact CD2-CD1 3.81Å; F277-F632 HydrophobicContact CD2-CD1 3.81Å; F277-F632 AromaticContact CD2-CE1 4Å; F277-F632 HydrophobicContact CD2-CE1 4Å; F277-F632 HydrophobicContact CD2-CG 4.19Å; F277-F632 AromaticContact CE2-CD1 3.56Å; F277-F632 HydrophobicContact CE2-CD1 3.56Å; F277-F632 AromaticContact CE2-CD2 3.81Å; F277-F632 HydrophobicContact CE2-CD2 3.81Å; F277-F632 AromaticContact CE2-CE1 3.53Å; F277-F632 HydrophobicContact CE2-CE1 3.53Å; F277-F632 AromaticContact CE2-CE2 3.76Å; F277-F632 HydrophobicContact CE2-CE2 3.76Å; F277-F632 AromaticContact CE2-CG 3.7Å; F277-F632 HydrophobicContact CE2-CG 3.7Å; F277-F632 AromaticContact CE2-CZ 3.62Å; F277-F632 HydrophobicContact CE2-CZ 3.62Å; F277-F632 HydrophobicContact CZ-CE2 4.33Å; F277-F632 HydrophobicContact CZ-CZ 4.4Å; I278-F632 WeakPolarHBondContact O-CE1 3.33Å; F279-F632 HydrophobicContact CB-CZ 3.94Å; R628-F632 PolarHBondContact O-N 3.29Å; V629-F632 PolarHBondContact O-N 3.04Å; A630-F632 VanDerWaalsContact C-N 3.32Å; A630-F632 PolarHBondContact O-N 3.11Å; F632-E634 VanDerWaalsContact C-N 3.29Å
633E91.2Very high92.4Very high35 Ų3555.2 Ų55.216%0.16431%0.309CS..Hα-helixtrans-82.8-7.7178.3-54.2-76.6175.800112.4K221 N222 V629 A630 F631K221-E633 WeakPolarHBondContact CD-OE2 3.44Å; K221-E633 VanDerWaalsContact CG-OE2 3.23Å; K221-E633 WeakPolarHBondContact CG-OE2 3.4Å; K221-E633 IonicContact NZ-OE1 3.39Å; K221-E633 PolarHBondContact NZ-OE1 2.8Å; K221-E633 IonicContact NZ-OE2 3.91Å; K221-E633 PolarHBondContact NZ-OE2 3.42Å; N222-E633 PolarHBondContact ND2-O 3.13Å; V629-E633 WeakPolarHBondContact O-CG 3.29Å; V629-E633 PolarHBondContact O-N 3.25Å; A630-E633 CarbonylContact O-C 3.57Å; A630-E633 PolarHBondContact O-N 3.42Å; F631-E633 VanDerWaalsContact C-N 3.31Å; F631-E633 PolarHBondContact O-N 3.19Å
634E92.8Very high93.1Very high152 Ų15257.6 Ų57.671%0.7131%0.312SS*.Hα-helixtrans-96.8-8.7174.2-72.2172-176.700113.1A630 F631 F632A630-E634 WeakPolarHBondContact O-CG 3.32Å; A630-E634 PolarHBondContact O-N 2.65Å; A630-E634 VanDerWaalsContact O-N 3.09Å; F631-E634 PolarHBondContact O-N 2.66Å; F631-E634 VanDerWaalsContact O-N 3.16Å; F632-E634 VanDerWaalsContact C-N 3.29Å
635L91.2Very high93.2Very high57 Ų5755.8 Ų55.830%0.29829%0.291SS..  trans-68.70168.1-61.5176.1000112.4N220 N222 T224 L226 F631N220-L635 PolarHBondContact ND2-OXT 2.94Å; N222-L635 PolarHBondContact ND2-OXT 2.97Å; T224-L635 VanDerWaalsContact CB-O 3.24Å; T224-L635 WeakPolarHBondContact CB-O 3.43Å; T224-L635 WeakPolarHBondContact CG2-O 3.33Å; T224-L635 VanDerWaalsContact OG1-C 3.25Å; T224-L635 PolarHBondContact OG1-O 2.8Å; T224-L635 PolarHBondContact OG1-OXT 3.17Å; L226-L635 HydrophobicContact CD1-CB 4.28Å; L226-L635 HydrophobicContact CD1-CD1 3.82Å; L226-L635 HydrophobicContact CD2-CD1 3.95Å; F631-L635 HydrophobicContact CE1-CD1 4.46Å; F631-L635 HydrophobicContact CE1-CD2 4.26Å; F631-L635 HydrophobicContact CZ-CD2 4.06Å; F631-L635 PolarHBondContact O-N 3.45Å

Retrieved 635 of 635 residues in 229.5 ms (Link to these results)

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