A0A077YX69_TRITR Loading...

UMP CMP kinase

AlphaFold DB , UniProt , Accession A0A077YX69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 195 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
1M42Very low54.1Low246 Ų246147 Ų147100%1.21282%0.823SS**  0107.40-75.7-176169.500108.6
2S47Very low57.3Low119 Ų119141 Ų14183%0.83279%0.787SS**  trans-73.7120.4174.1167.80000108.7A4S2-A4 PolarHBondContact O-N 3.4Å; S2-A4 VanDerWaalsContact O-N 3.08Å
3K45Very low60.2Low202 Ų202134.4 Ų134.488%0.87874%0.742SS**  trans-67.7103.6165.5-84.1179176.21760106.3A5K3-A5 PolarHBondContact O-N 3.36Å
4A48.9Very low62.7Low88 Ų88128.4 Ų128.473%0.72771%0.709SS**  trans-54.8108.1162.200000106.9S2 K6S2-A4 PolarHBondContact O-N 3.4Å; S2-A4 VanDerWaalsContact O-N 3.08Å; A4-K6 PolarHBondContact O-N 3.24Å
5A50.7Low65Low93 Ų93119.9 Ų119.977%0.76966%0.662SS**  trans-56.5111.7168.100000105.7K3 N7K3-A5 PolarHBondContact O-N 3.36Å; A5-N7 PolarHBondContact O-N 2.66Å
6K48.1Very low67Low193 Ų193112.4 Ų112.484%0.83962%0.62SS**  trans-54.4112.7166-80.7179.8175.5179.60105A4 E8A4-K6 PolarHBondContact O-N 3.24Å; K6-E8 PolarHBondContact O-N 3.1Å
7N49.8Very low68.8Low161 Ų161105.9 Ų105.986%0.86158%0.584SS**  trans-67.283.6171-155.221.7000105A5 A9A5-N7 PolarHBondContact O-N 2.66Å; N7-A9 VanDerWaalsContact C-N 3.33Å; N7-A9 PolarHBondContact O-N 3.14Å
8E53Low70.4Confident170 Ų170100 Ų10079%0.79455%0.552SS**  trans-60.1104.7171.6-80.6-175.7168.900105.4K6 K10K6-E8 PolarHBondContact O-N 3.1Å; E8-K10 PolarHBondContact O-N 3.31Å
9A60.5Low71.8Confident92 Ų9294.8 Ų94.876%0.7652%0.523SS*.  trans-54.3110.8173.400000106.6N7 S11N7-A9 VanDerWaalsContact C-N 3.33Å; N7-A9 PolarHBondContact O-N 3.14Å; A9-S11 PolarHBondContact O-N 3.05Å
10K66.9Low73Confident148 Ų14890.5 Ų90.564%0.64350%0.501SS*.  trans-57.2115.6-179.4-170.2175.8-179.3-179.20107.2E8 L12E8-K10 PolarHBondContact O-N 3.31Å; K10-L12 PolarHBondContact O-N 3.17Å
11S83Confident74.1Confident105 Ų10586.2 Ų86.273%0.73448%0.477SS*.PPolyproline II helixtrans-58.2126.3179.5-179.50000109.2A9A9-S11 PolarHBondContact O-N 3.05Å
12L93Very high76.6Confident75 Ų7575.2 Ų75.239%0.39342%0.424SS..PPolyproline II helixtrans-67.9142.3175.1-58.5178.7000109.9K10 D116 R117 N119K10-L12 PolarHBondContact O-N 3.17Å; L12-D116 WeakPolarHBondContact CD2-O 3.45Å; L12-R117 WeakPolarHBondContact CA-O 3.28Å; L12-N119 HydrophobicContact CB-CB 4.24Å; L12-N119 HydrophobicContact CD1-CB 4.44Å
13W95.1Very high78.7Confident55 Ų5569.9 Ų69.921%0.20839%0.388CS..EExtended strand (participates in β ladder)trans-75.2125.9171.1-65.4-56.1000110.4V15 M86 Q87 F95 M114 R117 V118 N119W13-V15 PolarHBondContact O-N 3.27Å; W13-M86 HydrophobicContact CB-CE 3.48Å; W13-M86 VanDerWaalsContact CB-CE 3.48Å; W13-M86 HydrophobicContact CD2-CB 4.47Å; W13-M86 HydrophobicContact CD2-CE 3.7Å; W13-M86 HydrophobicContact CE3-CB 4.46Å; W13-M86 HydrophobicContact CE3-CE 3.52Å; W13-M86 HydrophobicContact CE3-SD 4.46Å; W13-M86 HydrophobicContact CG-CE 3.73Å; W13-M86 HydrophobicContact CZ3-CB 4.47Å; W13-M86 HydrophobicContact CZ3-CE 4.4Å; W13-Q87 HydrophobicContact CH2-CG 3.75Å; W13-Q87 HydrophobicContact CZ2-CG 4.15Å; W13-F95 HydrophobicContact CB-CD2 4.03Å; W13-F95 HydrophobicContact CB-CE2 4.15Å; W13-F95 AromaticContact CD1-CE2 3.62Å; W13-F95 HydrophobicContact CG-CD2 4.23Å; W13-F95 AromaticContact CG-CE2 3.85Å; W13-F95 HydrophobicContact CG-CE2 3.85Å; W13-M114 HydrophobicContact CZ3-CE 4.49Å; W13-R117 HydrophobicContact CE3-CB 4.08Å; W13-R117 HydrophobicContact CZ3-CB 4Å; W13-R117 PolarHBondContact N-O 2.78Å; W13-V118 HydrophobicContact CE3-CG1 4.31Å; W13-V118 CarbonylContact O-C 3.58Å; W13-V118 VanDerWaalsContact O-CA 3.28Å; W13-V118 WeakPolarHBondContact O-CA 3.32Å; W13-N119 PolarHBondContact O-N 3.18Å
14N95.5Very high81Confident51 Ų5160.3 Ų60.327%0.27335%0.347SS..EExtended strand (participates in β ladder)trans-67.5129.4170.3-71-42.6000110V93 G94 F95 N119 Q121N14-V93 PolarHBondContact ND2-O 3.4Å; N14-G94 CarbonylContact O-C 3.17Å; N14-G94 WeakPolarHBondContact O-CA 3.39Å; N14-F95 PolarHBondContact O-N 3.32Å; N14-N119 PolarHBondContact OD1-ND2 3.25Å; N14-Q121 HydrophobicContact CB-CG 4.33Å
15V97.1Very high83Confident0 Ų057.1 Ų57.10%032%0.322CS..EExtended strand (participates in β ladder)trans-126133.5-177.3164.80000110.7W13 F17 M86 F95 I97 W110 V118 N119 V120 Q121W13-V15 PolarHBondContact O-N 3.27Å; V15-F17 HydrophobicContact CG1-CD1 4.14Å; V15-F17 HydrophobicContact CG1-CE1 3.88Å; V15-F17 HydrophobicContact CG1-CZ 4.14Å; V15-M86 HydrophobicContact CG2-CE 3.88Å; V15-F95 WeakPolarHBondContact CA-O 3.47Å; V15-F95 HydrophobicContact CG2-CB 4.46Å; V15-I97 HydrophobicContact CG1-CB 4.5Å; V15-I97 HydrophobicContact CG1-CG1 3.68Å; V15-I97 HydrophobicContact CG2-CG1 4.42Å; V15-W110 HydrophobicContact CG1-CZ2 4.16Å; V15-W110 HydrophobicContact CG2-CZ2 4.36Å; V15-V118 HydrophobicContact CG2-CB 3.95Å; V15-V118 HydrophobicContact CG2-CG1 4.02Å; V15-N119 PolarHBondContact N-O 3Å; V15-V120 HydrophobicContact CG1-CG2 4.48Å; V15-Q121 PolarHBondContact O-N 3.48Å
16V96.3Very high85Confident0 Ų054.1 Ų54.10%029%0.292CS..EExtended strand (participates in β ladder)trans-117120.7167174.80000108.3Y39 F95 I96 I97 Q121 F122 L124 F194V16-Y39 HydrophobicContact CG2-CE1 3.97Å; V16-F95 PolarHBondContact N-O 3.1Å; V16-I96 WeakPolarHBondContact O-CA 3.3Å; V16-I97 PolarHBondContact O-N 3.25Å; V16-Q121 HydrophobicContact CG2-CB 4.41Å; V16-F122 WeakPolarHBondContact CA-O 3.39Å; V16-F122 HydrophobicContact CB-CE2 4.45Å; V16-F122 HydrophobicContact CB-CZ 4.31Å; V16-F122 HydrophobicContact CG1-CD2 3.79Å; V16-F122 HydrophobicContact CG1-CE1 4.25Å; V16-F122 HydrophobicContact CG1-CE2 3.39Å; V16-F122 HydrophobicContact CG1-CG 4.38Å; V16-F122 HydrophobicContact CG1-CZ 3.65Å; V16-F122 HydrophobicContact CG2-CD1 3.91Å; V16-F122 HydrophobicContact CG2-CE1 3.46Å; V16-F122 VanDerWaalsContact CG2-CE1 3.46Å; V16-F122 HydrophobicContact CG2-CE2 4.18Å; V16-F122 HydrophobicContact CG2-CG 4.42Å; V16-F122 HydrophobicContact CG2-CZ 3.61Å; V16-L124 HydrophobicContact CG1-CB 4.44Å; V16-F194 HydrophobicContact CG1-CZ 4.29Å; V16-F194 HydrophobicContact CG2-CE1 4.23Å
17F98Very high86.9Confident2 Ų245.8 Ų45.81%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-80139.9170.8-65.2-55.2000110.5V15 I97 F100 W110 V120 F122 V123 L124 F170V15-F17 HydrophobicContact CG1-CD1 4.14Å; V15-F17 HydrophobicContact CG1-CE1 3.88Å; V15-F17 HydrophobicContact CG1-CZ 4.14Å; F17-I97 HydrophobicContact CD1-CB 3.75Å; F17-I97 HydrophobicContact CD1-CG1 4.4Å; F17-I97 HydrophobicContact CD1-CG2 3.95Å; F17-I97 HydrophobicContact CE1-CB 4.07Å; F17-I97 HydrophobicContact CE1-CG1 4.36Å; F17-I97 HydrophobicContact CE1-CG2 4.03Å; F17-F100 WeakPolarHBondContact CD1-O 3.41Å; F17-F100 HydrophobicContact CE1-CD1 4.37Å; F17-W110 HydrophobicContact CE1-CD2 4.35Å; F17-W110 HydrophobicContact CE1-CH2 4.2Å; F17-W110 AromaticContact CE1-CZ2 3.94Å; F17-W110 HydrophobicContact CE1-CZ2 3.94Å; F17-W110 AromaticContact CZ-CD2 3.96Å; F17-W110 HydrophobicContact CZ-CD2 3.96Å; F17-W110 AromaticContact CZ-CE2 3.48Å; F17-W110 VanDerWaalsContact CZ-CE2 3.48Å; F17-W110 HydrophobicContact CZ-CG 4.27Å; F17-W110 HydrophobicContact CZ-CH2 4.43Å; F17-W110 AromaticContact CZ-CZ2 3.74Å; F17-W110 HydrophobicContact CZ-CZ2 3.74Å; F17-W110 AromaticContact CZ-NE1 3.58Å; F17-V120 HydrophobicContact CD2-CG1 3.78Å; F17-V120 HydrophobicContact CE2-CB 4.41Å; F17-V120 HydrophobicContact CE2-CG1 3.66Å; F17-V120 HydrophobicContact CE2-CG2 3.77Å; F17-V120 HydrophobicContact CZ-CG2 4.13Å; F17-F122 PolarHBondContact N-O 2.97Å; F17-V123 HydrophobicContact CB-CG1 4.29Å; F17-V123 HydrophobicContact CB-CG2 4.16Å; F17-V123 HydrophobicContact CD2-CG2 4.2Å; F17-V123 CarbonylContact O-C 3.55Å; F17-V123 WeakPolarHBondContact O-CA 3.3Å; F17-L124 PolarHBondContact O-N 3.02Å; F17-F170 HydrophobicContact CD2-CZ 4.06Å; F17-F170 HydrophobicContact CE2-CZ 4.16Å
18V97Very high88.6Confident0 Ų042 Ų420%024%0.244CC..EExtended strand (participates in β ladder)trans-118.9110.7172-176.10000109K26 I96 I97 G99 L124 M126V18-K26 HydrophobicContact CG1-CB 4.2Å; V18-K26 HydrophobicContact CG1-CD 4.07Å; V18-K26 HydrophobicContact CG1-CG 4.02Å; V18-I96 HydrophobicContact CB-CG2 4.46Å; V18-I96 HydrophobicContact CG2-CG2 3.47Å; V18-I96 VanDerWaalsContact CG2-CG2 3.47Å; V18-I97 PolarHBondContact N-O 3.29Å; V18-G99 PolarHBondContact O-N 2.88Å; V18-L124 WeakPolarHBondContact CA-O 3.5Å; V18-L124 HydrophobicContact CG1-CD2 4.22Å; V18-L124 HydrophobicContact CG2-CB 4.1Å; V18-L124 HydrophobicContact CG2-CD2 4.1Å; V18-M126 HydrophobicContact CG1-CG 4.44Å; V18-M126 HydrophobicContact CG1-SD 4.25Å
19L97.5Very high90.1Very high2 Ų234.4 Ų34.41%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-116.8158.6-178-59.8-177.7000110.6P101 V123 L124 F125 M126 I166 I167 F170L19-P101 VanDerWaalsContact CD2-O 3.29Å; L19-P101 WeakPolarHBondContact CD2-O 3.44Å; L19-V123 HydrophobicContact CB-CG1 4.4Å; L19-V123 HydrophobicContact CD1-CG1 3.98Å; L19-V123 HydrophobicContact CG-CG1 4.11Å; L19-L124 PolarHBondContact N-O 3.41Å; L19-F125 WeakPolarHBondContact O-CD2 3.46Å; L19-M126 PolarHBondContact O-N 3.09Å; L19-I166 HydrophobicContact CD1-CG2 4.44Å; L19-I167 HydrophobicContact CB-CD1 4.32Å; L19-I167 HydrophobicContact CB-CG1 4.21Å; L19-I167 HydrophobicContact CD1-CG1 4.02Å; L19-F170 HydrophobicContact CD1-CD2 4.39Å; L19-F170 HydrophobicContact CD1-CE2 4.29Å
20G96.2Very high91.3Very high7 Ų730 Ų307%0.07217%0.172CC..  trans160.7161.2-173.600000111.7K26 M126G20-K26 PolarHBondContact O-NZ 3.17Å; G20-M126 WeakPolarHBondContact CA-O 3.35Å
21P95.8Very high92.1Very high1 Ų128.5 Ų28.51%0.00617%0.166CC..  trans-59.7155.8178.514-15.2000111.6C24 K26 M126 C128 Y159P21-C24 HydrophobicContact CG-CB 4.03Å; P21-C24 PolarHBondContact O-N 3.49Å; P21-C24 PolarHBondContact O-SG 3.43Å; P21-K26 PolarHBondContact O-NZ 3.02Å; P21-M126 VanDerWaalsContact CD-O 3.23Å; P21-M126 WeakPolarHBondContact CD-O 3.48Å; P21-C128 HydrophobicContact CG-CB 4.27Å; P21-C128 VanDerWaalsContact CG-O 3.31Å; P21-C128 WeakPolarHBondContact CG-O 3.34Å; P21-Y159 HydrophobicContact CB-CD1 3.9Å; P21-Y159 HydrophobicContact CB-CD2 4.37Å; P21-Y159 HydrophobicContact CB-CE1 3.71Å; P21-Y159 HydrophobicContact CB-CE2 4.21Å; P21-Y159 HydrophobicContact CB-CG 4.21Å; P21-Y159 HydrophobicContact CG-CE1 4.13Å
22P93.7Very high91.9Very high15 Ų1527.8 Ų27.810%0.09715%0.147CC..THydrogen-bonded Turntrans-53.8144.916826.7-35000109.3C24 C133 L152 R155 I156P22-C24 VanDerWaalsContact C-N 3.28Å; P22-C24 PolarHBondContact O-N 2.81Å; P22-C133 WeakPolarHBondContact O-CB 3.42Å; P22-C133 PolarHBondContact O-SG 2.87Å; P22-L152 HydrophobicContact CB-CD1 4.36Å; P22-L152 HydrophobicContact CG-CD1 4.47Å; P22-R155 HydrophobicContact CB-CB 4.3Å; P22-R155 HydrophobicContact CG-CB 4.03Å; P22-I156 HydrophobicContact CG-CD1 3.54Å; P22-I156 HydrophobicContact CG-CG1 3.93Å
23G92Very high91Very high7 Ų724.4 Ų24.47%0.07213%0.129CC..THydrogen-bonded Turntrans77-6.1179.700000116.9G25 R136 C137G23-G25 PolarHBondContact O-N 3.36Å; G23-G25 VanDerWaalsContact O-N 3.14Å; G23-R136 VanDerWaalsContact O-CD 3.24Å; G23-R136 WeakPolarHBondContact O-CD 3.16Å; G23-C137 VanDerWaalsContact CA-SG 3.55Å
24C93.4Very high90.1Very high2 Ų224.3 Ų24.31%0.01413%0.132CC..SBendtrans-72.2-8.1-177.475.30000115P21 P22 K26 C128 C133 R136P21-C24 HydrophobicContact CG-CB 4.03Å; P21-C24 PolarHBondContact O-N 3.49Å; P21-C24 PolarHBondContact O-SG 3.43Å; P22-C24 VanDerWaalsContact C-N 3.28Å; P22-C24 PolarHBondContact O-N 2.81Å; C24-K26 VanDerWaalsContact SG-CG 3.52Å; C24-C128 HydrophobicContact CB-CB 3.59Å; C24-C133 VanDerWaalsContact CA-SG 3.55Å; C24-C133 PolarHBondContact N-SG 3.17Å; C24-C133 VanDerWaalsContact N-SG 3.4Å; C24-R136 PolarHBondContact O-NH1 3.18Å
25G90.2Very high89Confident21 Ų2130.1 Ų30.122%0.21616%0.157CC..  trans9718.5175.400000115.9G23 G27 T28 Q29G23-G25 PolarHBondContact O-N 3.36Å; G23-G25 VanDerWaalsContact O-N 3.14Å; G25-G27 PolarHBondContact O-N 3.23Å; G25-T28 PolarHBondContact O-N 3.01Å; G25-Q29 WeakPolarHBondContact O-CG 3.33Å; G25-Q29 PolarHBondContact O-N 3.08Å
26K92.2Very high87.8Confident29 Ų2935.5 Ų35.513%0.12618%0.181CC..Hα-helixtrans-46.7-62.5178.9-62.3-175.8-71-73.70113.3V18 G20 P21 C24 T28 Q29 C30 D98 M126V18-K26 HydrophobicContact CG1-CB 4.2Å; V18-K26 HydrophobicContact CG1-CD 4.07Å; V18-K26 HydrophobicContact CG1-CG 4.02Å; G20-K26 PolarHBondContact O-NZ 3.17Å; P21-K26 PolarHBondContact O-NZ 3.02Å; C24-K26 VanDerWaalsContact SG-CG 3.52Å; K26-T28 PolarHBondContact O-N 2.89Å; K26-T28 VanDerWaalsContact O-N 3.14Å; K26-Q29 CarbonylContact O-C 3.57Å; K26-Q29 PolarHBondContact O-N 2.93Å; K26-C30 WeakPolarHBondContact O-CB 3.42Å; K26-C30 PolarHBondContact O-N 3.1Å; K26-C30 PolarHBondContact O-SG 2.91Å; K26-D98 WeakPolarHBondContact CB-OD1 3.25Å; K26-D98 VanDerWaalsContact CD-OD1 3.29Å; K26-D98 WeakPolarHBondContact CD-OD1 3.33Å; K26-D98 VanDerWaalsContact CE-OD1 3.22Å; K26-D98 WeakPolarHBondContact CE-OD1 3.39Å; K26-M126 VanDerWaalsContact CA-SD 3.58Å; K26-M126 HydrophobicContact CB-SD 4.2Å; K26-M126 HydrophobicContact CG-CB 4.46Å; K26-M126 HydrophobicContact CG-SD 3.85Å
27G87.8Confident87.1Confident19 Ų1938 Ų3820%0.19619%0.192CC..Hα-helixtrans-54.2-39.1-178.700000113.9G25 K31 D98G25-G27 PolarHBondContact O-N 3.23Å; G27-K31 VanDerWaalsContact O-CG 3.3Å; G27-K31 WeakPolarHBondContact O-CG 3.49Å; G27-K31 PolarHBondContact O-N 2.93Å; G27-K31 VanDerWaalsContact O-N 3.13Å; G27-D98 WeakPolarHBondContact CA-OD2 3.31Å; G27-D98 PolarHBondContact N-OD2 2.77Å
28T86.3Confident86.4Confident81 Ų8140 Ų4050%0.49721%0.213SC..Hα-helixtrans-65.2-43175.6-54.10000112.2G25 K26 R32G25-T28 PolarHBondContact O-N 3.01Å; K26-T28 PolarHBondContact O-N 2.89Å; K26-T28 VanDerWaalsContact O-N 3.14Å; T28-R32 WeakPolarHBondContact O-CG 3.34Å; T28-R32 PolarHBondContact O-N 3.48Å
29Q83.6Confident86.1Confident11 Ų1141.4 Ų41.45%0.05122%0.219CC..Hα-helixtrans-76.2-35.7180-59-62.67.800112.3G25 K26 K31 R32 I33 M126 L186G25-Q29 WeakPolarHBondContact O-CG 3.33Å; G25-Q29 PolarHBondContact O-N 3.08Å; K26-Q29 CarbonylContact O-C 3.57Å; K26-Q29 PolarHBondContact O-N 2.93Å; Q29-K31 PolarHBondContact O-N 2.95Å; Q29-R32 WeakPolarHBondContact O-CB 3.31Å; Q29-R32 PolarHBondContact O-N 2.96Å; Q29-R32 VanDerWaalsContact O-N 3.1Å; Q29-I33 WeakPolarHBondContact O-CG1 3.47Å; Q29-I33 PolarHBondContact O-N 3.34Å; Q29-M126 HydrophobicContact CB-CE 4.04Å; Q29-M126 HydrophobicContact CB-SD 4.09Å; Q29-M126 HydrophobicContact CG-CE 3.48Å; Q29-M126 VanDerWaalsContact CG-CE 3.48Å; Q29-M126 HydrophobicContact CG-SD 4.21Å; Q29-L186 HydrophobicContact CB-CD2 4.39Å; Q29-L186 HydrophobicContact CG-CD2 3.97Å; Q29-L186 VanDerWaalsContact NE2-CB 3.29Å
30C87.2Confident85.9Confident0 Ų044.4 Ų44.40%023%0.234CC..Hα-helixtrans-58.5-46.7173.5-66.40000111.2K26 R32 I33 I34 H41 I96K26-C30 WeakPolarHBondContact O-CB 3.42Å; K26-C30 PolarHBondContact O-N 3.1Å; K26-C30 PolarHBondContact O-SG 2.91Å; C30-R32 PolarHBondContact O-N 2.96Å; C30-I33 WeakPolarHBondContact O-CA 3.47Å; C30-I33 WeakPolarHBondContact O-CB 3.49Å; C30-I33 PolarHBondContact O-N 2.98Å; C30-I34 WeakPolarHBondContact O-CG1 3.36Å; C30-I34 PolarHBondContact O-N 3.18Å; C30-H41 HydrophobicContact CB-CB 4.42Å; C30-I96 HydrophobicContact CB-CG2 4.16Å
31K83.4Confident85.8Confident115 Ų11545.1 Ų45.150%0.524%0.236SC..Hα-helixtrans-55.4-35.9174.8-73.8176.3-175.5-1770112.9G27 Q29G27-K31 VanDerWaalsContact O-CG 3.3Å; G27-K31 WeakPolarHBondContact O-CG 3.49Å; G27-K31 PolarHBondContact O-N 2.93Å; G27-K31 VanDerWaalsContact O-N 3.13Å; Q29-K31 PolarHBondContact O-N 2.95Å
32R77.9Confident85.8Confident91 Ų9145.7 Ų45.734%0.34324%0.239SC..Hα-helixtrans-76.2-29.2176-66.9169.5171.3-175.9-3.9113.4T28 Q29 C30 L187T28-R32 WeakPolarHBondContact O-CG 3.34Å; T28-R32 PolarHBondContact O-N 3.48Å; Q29-R32 WeakPolarHBondContact O-CB 3.31Å; Q29-R32 PolarHBondContact O-N 2.96Å; Q29-R32 VanDerWaalsContact O-N 3.1Å; C30-R32 PolarHBondContact O-N 2.96Å; R32-L187 HydrophobicContact CB-CD2 3.63Å; R32-L187 HydrophobicContact CG-CD2 4.29Å
33I74.5Confident85.9Confident3 Ų345.5 Ų45.52%0.01524%0.238CC..Hα-helixtrans-68.2-47.7175.3-70160.9000110.6Q29 C30 Q35 K36 F37 I96 L124 V190 F194Q29-I33 WeakPolarHBondContact O-CG1 3.47Å; Q29-I33 PolarHBondContact O-N 3.34Å; C30-I33 WeakPolarHBondContact O-CA 3.47Å; C30-I33 WeakPolarHBondContact O-CB 3.49Å; C30-I33 PolarHBondContact O-N 2.98Å; I33-Q35 VanDerWaalsContact C-N 3.29Å; I33-Q35 PolarHBondContact O-N 2.93Å; I33-K36 PolarHBondContact O-N 3.5Å; I33-K36 VanDerWaalsContact O-N 3.1Å; I33-F37 HydrophobicContact CG2-CD2 3.99Å; I33-F37 WeakPolarHBondContact O-CD2 3.45Å; I33-F37 PolarHBondContact O-N 3.33Å; I33-I96 HydrophobicContact CB-CD1 3.97Å; I33-I96 HydrophobicContact CG2-CD1 3.41Å; I33-I96 VanDerWaalsContact CG2-CD1 3.41Å; I33-L124 HydrophobicContact CD1-CD2 3.77Å; I33-V190 HydrophobicContact CD1-CG1 3.86Å; I33-V190 HydrophobicContact CG1-CG1 3.38Å; I33-F194 HydrophobicContact CD1-CE2 3.92Å; I33-F194 HydrophobicContact CD1-CZ 4.27Å; I33-F194 HydrophobicContact CG1-CE2 4.14Å; I33-F194 HydrophobicContact CG2-CD1 4.45Å; I33-F194 HydrophobicContact CG2-CD2 4.17Å; I33-F194 HydrophobicContact CG2-CE1 3.86Å; I33-F194 HydrophobicContact CG2-CE2 3.55Å; I33-F194 HydrophobicContact CG2-CZ 3.38Å
34I77.3Confident86.2Confident53 Ų5345.2 Ų45.227%0.27224%0.235SC..Hα-helixtrans-47-52.8-178.5-66.1162000111.4C30 K36 F37 G38 Y39 H41C30-I34 WeakPolarHBondContact O-CG1 3.36Å; C30-I34 PolarHBondContact O-N 3.18Å; I34-K36 PolarHBondContact O-N 3.32Å; I34-F37 PolarHBondContact O-N 3.2Å; I34-G38 PolarHBondContact O-N 3.03Å; I34-Y39 WeakPolarHBondContact CA-O 3.26Å; I34-Y39 WeakPolarHBondContact CB-O 3.44Å; I34-Y39 WeakPolarHBondContact CG1-O 3.28Å; I34-Y39 VanDerWaalsContact CG2-O 3.26Å; I34-Y39 WeakPolarHBondContact CG2-O 3.4Å; I34-H41 HydrophobicContact CD1-CB 3.15Å; I34-H41 HydrophobicContact CG1-CB 3.68Å
35Q70.6Confident86.3Confident173 Ų17345.5 Ų45.581%0.80824%0.238SC*.Hα-helixtrans-56.3-18.4-172.7-70.9179.5-22.400113.6I33I33-Q35 VanDerWaalsContact C-N 3.29Å; I33-Q35 PolarHBondContact O-N 2.93Å
36K72Confident86.5Confident114 Ų11448 Ų4850%0.49624%0.244SC..Hα-helixtrans-109.7-27.3-174.3-172.1163.3-179.3162.70114.9I33 I34 R191I33-K36 PolarHBondContact O-N 3.5Å; I33-K36 VanDerWaalsContact O-N 3.1Å; I34-K36 PolarHBondContact O-N 3.32Å; K36-R191 HydrophobicContact CD-CG 4.48Å; K36-R191 VanDerWaalsContact NZ-NE 3.2Å
37F82.1Confident86.8Confident53 Ų5348.1 Ų48.123%0.23225%0.246CC..Hα-helixtrans-120.5-2.6-169.7-61.3-76.1000114.3I33 I34 Y39 V93 F194I33-F37 HydrophobicContact CG2-CD2 3.99Å; I33-F37 WeakPolarHBondContact O-CD2 3.45Å; I33-F37 PolarHBondContact O-N 3.33Å; I34-F37 PolarHBondContact O-N 3.2Å; F37-Y39 HydrophobicContact CB-CD2 3.81Å; F37-Y39 HydrophobicContact CB-CE2 4.27Å; F37-Y39 PolarHBondContact O-N 2.95Å; F37-V93 VanDerWaalsContact O-CG2 3.3Å; F37-V93 WeakPolarHBondContact O-CG2 3.18Å; F37-F194 HydrophobicContact CD1-CB 3.92Å; F37-F194 HydrophobicContact CD2-CB 4.09Å; F37-F194 HydrophobicContact CD2-CD1 4.3Å; F37-F194 HydrophobicContact CD2-CD2 4.38Å; F37-F194 AromaticContact CD2-CG 3.99Å; F37-F194 HydrophobicContact CD2-CG 3.99Å; F37-F194 HydrophobicContact CE1-CB 3.63Å; F37-F194 HydrophobicContact CE2-CB 3.81Å; F37-F194 HydrophobicContact CE2-CD2 4.15Å; F37-F194 AromaticContact CE2-CG 3.99Å; F37-F194 HydrophobicContact CE2-CG 3.99Å; F37-F194 HydrophobicContact CG-CB 4.13Å; F37-F194 HydrophobicContact CG-CD1 4.33Å; F37-F194 HydrophobicContact CG-CG 4.28Å; F37-F194 HydrophobicContact CZ-CB 3.57Å; F37-F194 HydrophobicContact CZ-CG 4.26Å
38G83.9Confident87.3Confident44 Ų4447.5 Ų47.545%0.45424%0.238SC..  trans76.71.6177.900000115.2I34 V93I34-G38 PolarHBondContact O-N 3.03Å; G38-V93 VanDerWaalsContact C-CG2 3.49Å
39Y90.5Very high87.8Confident29 Ų2946.2 Ų46.211%0.11422%0.224CC..PPolyproline II helixtrans-69.9141.8172.7-76.1-106.7000110V16 I34 F37 V93 G94 I96 Q121 F194V16-Y39 HydrophobicContact CG2-CE1 3.97Å; I34-Y39 WeakPolarHBondContact CA-O 3.26Å; I34-Y39 WeakPolarHBondContact CB-O 3.44Å; I34-Y39 WeakPolarHBondContact CG1-O 3.28Å; I34-Y39 VanDerWaalsContact CG2-O 3.26Å; I34-Y39 WeakPolarHBondContact CG2-O 3.4Å; F37-Y39 HydrophobicContact CB-CD2 3.81Å; F37-Y39 HydrophobicContact CB-CE2 4.27Å; F37-Y39 PolarHBondContact O-N 2.95Å; Y39-V93 HydrophobicContact CD2-CG2 3.96Å; Y39-V93 HydrophobicContact CE2-CG2 4.05Å; Y39-V93 HydrophobicContact CG-CG2 4.48Å; Y39-G94 VanDerWaalsContact CA-O 3.31Å; Y39-G94 WeakPolarHBondContact CA-O 3.29Å; Y39-G94 VanDerWaalsContact CD1-C 3.46Å; Y39-I96 HydrophobicContact CD1-CG1 4.19Å; Y39-I96 HydrophobicContact CG-CD1 4.42Å; Y39-I96 HydrophobicContact CG-CG1 4.26Å; Y39-Q121 PolarHBondContact OH-NE2 3.37Å; Y39-Q121 PolarHBondContact OH-OE1 3.22Å; Y39-F194 HydrophobicContact CD2-CD1 4.44Å; Y39-F194 HydrophobicContact CD2-CE1 4.33Å; Y39-F194 HydrophobicContact CE2-CD1 4.21Å; Y39-F194 HydrophobicContact CE2-CE1 4.36Å
40L92.8Very high88.4Confident64 Ų6452.3 Ų52.334%0.33525%0.25SS..EExtended strand (participates in β ladder)trans-92.6136.8171.5-168.1146.4000110.4L42 A89 A92 G94 F95 I96L40-L42 HydrophobicContact CD2-CD2 3.4Å; L40-L42 VanDerWaalsContact CD2-CD2 3.4Å; L40-L42 HydrophobicContact CD2-CG 3.81Å; L40-A89 HydrophobicContact CD1-CB 3.8Å; L40-A89 HydrophobicContact CD2-CB 4.47Å; L40-A92 HydrophobicContact CB-CB 4.03Å; L40-G94 PolarHBondContact N-O 2.9Å; L40-F95 HydrophobicContact CB-CD1 4.05Å; L40-F95 HydrophobicContact CB-CE1 4.11Å; L40-F95 HydrophobicContact CD2-CD1 4.18Å; L40-F95 HydrophobicContact CD2-CE1 4.17Å; L40-F95 CarbonylContact O-C 3.59Å; L40-F95 WeakPolarHBondContact O-CA 3.16Å; L40-I96 PolarHBondContact O-N 3.31Å
41H94.1Very high88.9Confident22 Ų2254 Ų5410%0.10226%0.258CS..EExtended strand (participates in β ladder)trans-92.3123.7179.3172.1-144.4000111.6C30 I34 D98C30-H41 HydrophobicContact CB-CB 4.42Å; I34-H41 HydrophobicContact CD1-CB 3.15Å; I34-H41 HydrophobicContact CG1-CB 3.68Å; H41-D98 IonicContact CE1-OD2 3.81Å; H41-D98 WeakPolarHBondContact NE2-CB 3.35Å; H41-D98 IonicContact NE2-OD2 2.86Å; H41-D98 PolarHBondContact NE2-OD2 3.23Å
42L96.3Very high89.6Confident14 Ų1449.9 Ų49.97%0.07324%0.241CC..EExtended strand (participates in β ladder)trans-117.1110.8171.5-60.1179.2000108.3L40 L47 L82 A85 M86 F95 I96 I97 D98L40-L42 HydrophobicContact CD2-CD2 3.4Å; L40-L42 VanDerWaalsContact CD2-CD2 3.4Å; L40-L42 HydrophobicContact CD2-CG 3.81Å; L42-L47 HydrophobicContact CB-CD1 4.47Å; L42-L82 HydrophobicContact CB-CD2 4.08Å; L42-A85 HydrophobicContact CD1-CB 4.03Å; L42-A85 HydrophobicContact CD2-CB 3.68Å; L42-A85 HydrophobicContact CG-CB 4.48Å; L42-M86 HydrophobicContact CD1-CB 4.48Å; L42-M86 HydrophobicContact CD1-CG 3.41Å; L42-M86 VanDerWaalsContact CD1-CG 3.41Å; L42-F95 HydrophobicContact CD1-CD1 3.59Å; L42-F95 HydrophobicContact CD1-CE1 4.12Å; L42-F95 HydrophobicContact CD1-CG 4.3Å; L42-F95 HydrophobicContact CG-CD1 4.03Å; L42-I96 PolarHBondContact N-O 3.32Å; L42-I97 HydrophobicContact CB-CD1 4.03Å; L42-I97 HydrophobicContact CD1-CD1 3.99Å; L42-I97 HydrophobicContact CG-CD1 4.47Å; L42-I97 WeakPolarHBondContact O-CA 3.41Å; L42-D98 PolarHBondContact O-N 2.79Å
43S96.6Very high90.4Very high11 Ų1149.8 Ų49.88%0.07725%0.254CS..EExtended strand (participates in β ladder)trans-91116173.5170.30000109.7G45 E46 L47S43-G45 PolarHBondContact O-N 3.39Å; S43-E46 PolarHBondContact O-N 2.85Å; S43-E46 WeakPolarHBondContact OG-CG 3.46Å; S43-E46 PolarHBondContact OG-N 2.78Å; S43-L47 WeakPolarHBondContact O-CG 3.14Å; S43-L47 PolarHBondContact O-N 3.45Å
44A97.4Very high91.5Very high1 Ų152 Ų521%0.00827%0.268CS..Hα-helixtrans-56.3-40.8178.300000110.9L47 L48 T78 D98 F100A44-L47 PolarHBondContact O-N 2.77Å; A44-L48 WeakPolarHBondContact O-CB 3.12Å; A44-L48 WeakPolarHBondContact O-CD1 3.42Å; A44-L48 WeakPolarHBondContact O-CG 3.38Å; A44-L48 PolarHBondContact O-N 2.84Å; A44-T78 HydrophobicContact CB-CG2 4.01Å; A44-D98 PolarHBondContact N-O 3.23Å; A44-F100 HydrophobicContact CB-CB 3.81Å
45G95.3Very high92.4Very high8 Ų855.5 Ų55.58%0.08229%0.294CS..Hα-helixtrans-65.7-37.9175.800000113.6S43 R49S43-G45 PolarHBondContact O-N 3.39Å; G45-R49 WeakPolarHBondContact O-CG 3.43Å; G45-R49 PolarHBondContact O-N 2.86Å; G45-R49 PolarHBondContact O-NE 2.91Å; G45-R49 PolarHBondContact O-NH1 3.41Å; G45-R49 PolarHBondContact O-NH2 3.16Å; G45-R49 VanDerWaalsContact O-NH2 3.12Å
46E95.6Very high93.6Very high74 Ų7451.1 Ų51.135%0.34630%0.295SS..Hα-helixtrans-71.1-38.5178.4-69.7177.417200111.4S43 L48 R49 K50S43-E46 PolarHBondContact O-N 2.85Å; S43-E46 WeakPolarHBondContact OG-CG 3.46Å; S43-E46 PolarHBondContact OG-N 2.78Å; E46-L48 VanDerWaalsContact C-N 3.34Å; E46-R49 PolarHBondContact O-N 2.95Å; E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.47Å; E46-K50 PolarHBondContact O-N 3.46Å
47L97.9Very high94.8Very high31 Ų3146.3 Ų46.316%0.16228%0.276CS..Hα-helixtrans-61.3-43.1172.6-68.3173.1000111.5L42 S43 A44 K50 E51 L81 L82 A85L42-L47 HydrophobicContact CB-CD1 4.47Å; S43-L47 WeakPolarHBondContact O-CG 3.14Å; S43-L47 PolarHBondContact O-N 3.45Å; A44-L47 PolarHBondContact O-N 2.77Å; L47-K50 PolarHBondContact O-N 3.17Å; L47-E51 WeakPolarHBondContact O-CB 3.4Å; L47-E51 PolarHBondContact O-N 3.26Å; L47-L81 HydrophobicContact CB-CB 4.22Å; L47-L81 HydrophobicContact CB-CD1 4.49Å; L47-L81 HydrophobicContact CD1-CB 4.49Å; L47-L82 HydrophobicContact CD1-CD2 3.59Å; L47-L82 HydrophobicContact CD1-CG 4.16Å; L47-A85 HydrophobicContact CD1-CB 4.26Å; L47-A85 HydrophobicContact CD2-CB 4.07Å
48L98Very high95.6Very high6 Ų649.1 Ų49.13%0.03130%0.299CS..Hα-helixtrans-63.3-48.8176.2-72.7167.6000112.3A44 E46 K50 E51 E52 I63 V73 I77 L81A44-L48 WeakPolarHBondContact O-CB 3.12Å; A44-L48 WeakPolarHBondContact O-CD1 3.42Å; A44-L48 WeakPolarHBondContact O-CG 3.38Å; A44-L48 PolarHBondContact O-N 2.84Å; E46-L48 VanDerWaalsContact C-N 3.34Å; L48-K50 VanDerWaalsContact C-N 3.27Å; L48-K50 PolarHBondContact O-N 2.83Å; L48-E51 PolarHBondContact O-N 2.87Å; L48-E52 WeakPolarHBondContact O-CB 3.28Å; L48-E52 PolarHBondContact O-N 3.43Å; L48-I63 HydrophobicContact CB-CG2 4.01Å; L48-I63 HydrophobicContact CD2-CD1 4Å; L48-I63 HydrophobicContact CD2-CG1 4.09Å; L48-I63 HydrophobicContact CD2-CG2 4.31Å; L48-V73 HydrophobicContact CD1-CB 4.18Å; L48-V73 HydrophobicContact CD1-CG2 3.93Å; L48-V73 HydrophobicContact CD2-CB 4.08Å; L48-V73 HydrophobicContact CD2-CG1 3.74Å; L48-V73 HydrophobicContact CD2-CG2 4.02Å; L48-I77 HydrophobicContact CD2-CG2 4.26Å; L48-L81 HydrophobicContact CD2-CD1 3.81Å; L48-L81 HydrophobicContact CG-CD1 4.39Å
49R96.6Very high96.2Very high53 Ų5349.7 Ų49.720%0.229%0.289CS..Hα-helixtrans-61.8-34.9175.9-77.5175.9-70.7-87.7-1.3112.7G45 E46 S53 I67G45-R49 WeakPolarHBondContact O-CG 3.43Å; G45-R49 PolarHBondContact O-N 2.86Å; G45-R49 PolarHBondContact O-NE 2.91Å; G45-R49 PolarHBondContact O-NH1 3.41Å; G45-R49 PolarHBondContact O-NH2 3.16Å; G45-R49 VanDerWaalsContact O-NH2 3.12Å; E46-R49 PolarHBondContact O-N 2.95Å; R49-S53 WeakPolarHBondContact O-CB 3.14Å; R49-S53 PolarHBondContact O-N 2.84Å; R49-S53 PolarHBondContact O-OG 2.84Å; R49-I67 HydrophobicContact CG-CD1 3.77Å
50K97Very high96.6Very high139 Ų13953.3 Ų53.360%0.60431%0.306SS*.Hα-helixtrans-64.1-48.8174.1-177-178.1176.6-175.60110.5E46 L47 L48 S53 T54E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.47Å; E46-K50 PolarHBondContact O-N 3.46Å; L47-K50 PolarHBondContact O-N 3.17Å; L48-K50 VanDerWaalsContact C-N 3.27Å; L48-K50 PolarHBondContact O-N 2.83Å; K50-S53 PolarHBondContact O-N 2.77Å; K50-S53 PolarHBondContact O-OG 2.83Å; K50-T54 PolarHBondContact O-N 3.1Å; K50-T54 VanDerWaalsContact O-N 3.08Å; K50-T54 PolarHBondContact O-OG1 3.23Å
51E98Very high96.8Very high36 Ų3656 Ų5617%0.16832%0.321CS..Hα-helixtrans-60.5-45.8177.6-174.165-159.700111.7L47 L48 S53 T54 S57 F59 I63 L81L47-E51 WeakPolarHBondContact O-CB 3.4Å; L47-E51 PolarHBondContact O-N 3.26Å; L48-E51 PolarHBondContact O-N 2.87Å; E51-S53 VanDerWaalsContact C-N 3.3Å; E51-S53 PolarHBondContact O-N 3Å; E51-T54 WeakPolarHBondContact O-CB 3.47Å; E51-T54 PolarHBondContact O-N 2.85Å; E51-S57 WeakPolarHBondContact O-CB 3.36Å; E51-S57 WeakPolarHBondContact OE1-CB 3.3Å; E51-S57 PolarHBondContact OE1-OG 2.88Å; E51-F59 HydrophobicContact CG-CB 4.43Å; E51-I63 HydrophobicContact CB-CD1 3.79Å; E51-I63 HydrophobicContact CG-CD1 3.54Å; E51-L81 HydrophobicContact CB-CD1 3.97Å; E51-L81 HydrophobicContact CB-CD2 4.14Å; E51-L81 HydrophobicContact CG-CD1 4.26Å; E51-L81 HydrophobicContact CG-CD2 4.14Å; E51-L81 WeakPolarHBondContact OE2-CD2 3.33Å
52E96.8Very high97Very high29 Ų2958 Ų5814%0.13633%0.332CS..Hα-helixtrans-53.5-44.6172.8179.2-165.9-16300112.5L48 T54 K60 I63 D64 I67L48-E52 WeakPolarHBondContact O-CB 3.28Å; L48-E52 PolarHBondContact O-N 3.43Å; E52-T54 VanDerWaalsContact C-N 3.27Å; E52-T54 PolarHBondContact O-N 2.89Å; E52-K60 WeakPolarHBondContact O-CD 3.4Å; E52-K60 VanDerWaalsContact O-CG 3.3Å; E52-K60 WeakPolarHBondContact O-CG 3.47Å; E52-I63 HydrophobicContact CB-CB 4.32Å; E52-I63 HydrophobicContact CB-CG2 3.84Å; E52-I63 HydrophobicContact CG-CG2 4.45Å; E52-D64 HydrophobicContact CG-CB 4.07Å; E52-D64 WeakPolarHBondContact OE1-CA 3.03Å; E52-D64 WeakPolarHBondContact OE1-CB 3.5Å; E52-I67 VanDerWaalsContact OE2-CD1 3.25Å; E52-I67 WeakPolarHBondContact OE2-CD1 3.07Å
53S95.8Very high97Very high88 Ų8857.3 Ų57.362%0.61533%0.328SS*.Hα-helixtrans-78.2-7.5179.270.20000114.3R49 K50 E51 P55R49-S53 WeakPolarHBondContact O-CB 3.14Å; R49-S53 PolarHBondContact O-N 2.84Å; R49-S53 PolarHBondContact O-OG 2.84Å; K50-S53 PolarHBondContact O-N 2.77Å; K50-S53 PolarHBondContact O-OG 2.83Å; E51-S53 VanDerWaalsContact C-N 3.3Å; E51-S53 PolarHBondContact O-N 3Å; S53-P55 WeakPolarHBondContact O-CD 3.35Å
54T97.4Very high97Very high51 Ų5158.4 Ų58.431%0.31333%0.333SS..SBendtrans-78.8121.4-174-65.20000110.2K50 E51 E52 G56 S57K50-T54 PolarHBondContact O-N 3.1Å; K50-T54 VanDerWaalsContact O-N 3.08Å; K50-T54 PolarHBondContact O-OG1 3.23Å; E51-T54 WeakPolarHBondContact O-CB 3.47Å; E51-T54 PolarHBondContact O-N 2.85Å; E52-T54 VanDerWaalsContact C-N 3.27Å; E52-T54 PolarHBondContact O-N 2.89Å; T54-G56 PolarHBondContact O-N 2.78Å; T54-S57 WeakPolarHBondContact O-CB 3.46Å; T54-S57 PolarHBondContact O-N 2.95Å; T54-S57 VanDerWaalsContact O-N 3.13Å
55P96.5Very high97Very high125 Ų12563.6 Ų63.681%0.81236%0.357SS*.THydrogen-bonded Turntrans-56.9129.7177.5-25.135000111.5S53 S57S53-P55 WeakPolarHBondContact O-CD 3.35Å; P55-S57 VanDerWaalsContact C-N 3.3Å; P55-S57 PolarHBondContact O-N 3Å
56G96.1Very high97.1Very high81 Ų8164.9 Ų64.984%0.83536%0.361SS*.THydrogen-bonded Turntrans76.97179.100000115.4T54 P58T54-G56 PolarHBondContact O-N 2.78Å; G56-P58 WeakPolarHBondContact O-CD 3.5Å
57S97.2Very high97Very high14 Ų1462.1 Ų62.110%0.09835%0.349CS..  trans-61.8126.2171.7174.60000110.5E51 T54 P55 F59 K60E51-S57 WeakPolarHBondContact O-CB 3.36Å; E51-S57 WeakPolarHBondContact OE1-CB 3.3Å; E51-S57 PolarHBondContact OE1-OG 2.88Å; T54-S57 WeakPolarHBondContact O-CB 3.46Å; T54-S57 PolarHBondContact O-N 2.95Å; T54-S57 VanDerWaalsContact O-N 3.13Å; P55-S57 VanDerWaalsContact C-N 3.3Å; P55-S57 PolarHBondContact O-N 3Å; S57-F59 PolarHBondContact O-N 3.14Å; S57-F59 PolarHBondContact OG-N 3.23Å; S57-F59 VanDerWaalsContact OG-N 3.15Å; S57-K60 WeakPolarHBondContact O-CB 3.36Å; S57-K60 PolarHBondContact O-N 2.82Å
58P97.1Very high96.8Very high111 Ų11166.7 Ų66.772%0.72136%0.363SS*.THydrogen-bonded Turntrans-71.2-10.9174.931.2-35.7000112.7G56G56-P58 WeakPolarHBondContact O-CD 3.5Å
59F97.7Very high96.6Very high56 Ų5670.4 Ų70.425%0.24638%0.381CS..THydrogen-bonded Turntrans-99.4-1.1-179.9-56.5-67.7000113.2E51 S57 D61 L62 I63 I77E51-F59 HydrophobicContact CG-CB 4.43Å; S57-F59 PolarHBondContact O-N 3.14Å; S57-F59 PolarHBondContact OG-N 3.23Å; S57-F59 VanDerWaalsContact OG-N 3.15Å; F59-D61 PolarHBondContact O-N 3.47Å; F59-L62 PolarHBondContact O-N 3.19Å; F59-I63 HydrophobicContact CB-CD1 3.72Å; F59-I63 HydrophobicContact CB-CG1 4.17Å; F59-I63 WeakPolarHBondContact O-CB 3.45Å; F59-I63 VanDerWaalsContact O-CG1 3.24Å; F59-I63 WeakPolarHBondContact O-CG1 3.5Å; F59-I63 PolarHBondContact O-N 3.13Å; F59-I77 HydrophobicContact CB-CD1 4.43Å; F59-I77 HydrophobicContact CD1-CD1 3.44Å; F59-I77 VanDerWaalsContact CD1-CD1 3.44Å; F59-I77 HydrophobicContact CD1-CG1 3.81Å; F59-I77 HydrophobicContact CE1-CD1 3.95Å; F59-I77 HydrophobicContact CE1-CG1 3.92Å; F59-I77 HydrophobicContact CG-CD1 4.1Å; F59-I77 HydrophobicContact CG-CG1 4.35Å; F59-I77 HydrophobicContact CG-CG2 4.39Å
60K97.5Very high96.4Very high105 Ų10568.2 Ų68.246%0.45738%0.375SS..Hα-helixtrans-50.3-59.3-174.7171.4172.9177.9-173.70112.8E52 S57 L62 I63 D64E52-K60 WeakPolarHBondContact O-CD 3.4Å; E52-K60 VanDerWaalsContact O-CG 3.3Å; E52-K60 WeakPolarHBondContact O-CG 3.47Å; S57-K60 WeakPolarHBondContact O-CB 3.36Å; S57-K60 PolarHBondContact O-N 2.82Å; K60-L62 VanDerWaalsContact C-N 3.34Å; K60-L62 PolarHBondContact O-N 2.81Å; K60-I63 PolarHBondContact O-N 3.49Å; K60-D64 WeakPolarHBondContact O-CB 3.49Å; K60-D64 PolarHBondContact O-N 3.36Å
61D97.5Very high96.3Very high121 Ų12164.5 Ų64.565%0.64736%0.364SS*.Hα-helixtrans-68-36.8-172.7-60.6-26.6000111.9F59 Q65F59-D61 PolarHBondContact O-N 3.47Å; D61-Q65 WeakPolarHBondContact O-CB 3.23Å; D61-Q65 PolarHBondContact O-N 3.27Å
62L98Very high96.2Very high64 Ų6464 Ų6434%0.33536%0.362SS..Hα-helixtrans-64.1-44.2175.8179.764.2000111.4F59 K60 H66 P74 I77F59-L62 PolarHBondContact O-N 3.19Å; K60-L62 VanDerWaalsContact C-N 3.34Å; K60-L62 PolarHBondContact O-N 2.81Å; L62-H66 PolarHBondContact O-CD2 2.8Å; L62-H66 PolarHBondContact O-N 3.43Å; L62-P74 HydrophobicContact CD2-CG 4.29Å; L62-I77 HydrophobicContact CD2-CD1 3.51Å
63I97.9Very high96.2Very high0 Ų063 Ų630%036%0.358CS..Hα-helixtrans-67.6-46.6178.7-67.3169.5000110.6L48 E51 E52 F59 K60 Q65 H66 I67 V73 I77L48-I63 HydrophobicContact CB-CG2 4.01Å; L48-I63 HydrophobicContact CD2-CD1 4Å; L48-I63 HydrophobicContact CD2-CG1 4.09Å; L48-I63 HydrophobicContact CD2-CG2 4.31Å; E51-I63 HydrophobicContact CB-CD1 3.79Å; E51-I63 HydrophobicContact CG-CD1 3.54Å; E52-I63 HydrophobicContact CB-CB 4.32Å; E52-I63 HydrophobicContact CB-CG2 3.84Å; E52-I63 HydrophobicContact CG-CG2 4.45Å; F59-I63 HydrophobicContact CB-CD1 3.72Å; F59-I63 HydrophobicContact CB-CG1 4.17Å; F59-I63 WeakPolarHBondContact O-CB 3.45Å; F59-I63 VanDerWaalsContact O-CG1 3.24Å; F59-I63 WeakPolarHBondContact O-CG1 3.5Å; F59-I63 PolarHBondContact O-N 3.13Å; K60-I63 PolarHBondContact O-N 3.49Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.29Å; I63-H66 PolarHBondContact O-N 3.03Å; I63-I67 HydrophobicContact CG2-CD1 3.56Å; I63-I67 HydrophobicContact CG2-CG1 4.17Å; I63-I67 WeakPolarHBondContact O-CG1 3.29Å; I63-I67 PolarHBondContact O-N 2.76Å; I63-V73 HydrophobicContact CG1-CG1 4.25Å; I63-I77 HydrophobicContact CD1-CG2 4.17Å
64D96.3Very high96.3Very high33 Ų3360.9 Ų60.918%0.17634%0.342CS..Hα-helixtrans-57-45.7177.6165.269.9000111.3E52 K60 H66 I67 R68E52-D64 HydrophobicContact CG-CB 4.07Å; E52-D64 WeakPolarHBondContact OE1-CA 3.03Å; E52-D64 WeakPolarHBondContact OE1-CB 3.5Å; K60-D64 WeakPolarHBondContact O-CB 3.49Å; K60-D64 PolarHBondContact O-N 3.36Å; D64-H66 PolarHBondContact O-N 3.18Å; D64-I67 PolarHBondContact O-N 2.67Å; D64-R68 WeakPolarHBondContact O-CG 3.27Å; D64-R68 PolarHBondContact O-N 3.37Å; D64-R68 IonicContact OD1-CZ 3.44Å; D64-R68 IonicContact OD1-NE 3.93Å; D64-R68 PolarHBondContact OD1-NE 3.02Å; D64-R68 IonicContact OD2-CZ 3.53Å; D64-R68 IonicContact OD2-NE 2.76Å; D64-R68 PolarHBondContact OD2-NE 2.74Å; D64-R68 IonicContact OD2-NH1 2.77Å; D64-R68 IonicContact OD2-NH2 2.75Å; D64-R68 PolarHBondContact OD2-NH2 2.84Å
65Q96.3Very high96.3Very high110 Ų11058.5 Ų58.551%0.51433%0.327SS..Hα-helixtrans-56-50.3174.9-176.5-177.6-3.100111.6D61 I63 I67 R68 E69D61-Q65 WeakPolarHBondContact O-CB 3.23Å; D61-Q65 PolarHBondContact O-N 3.27Å; I63-Q65 VanDerWaalsContact C-N 3.33Å; I63-Q65 PolarHBondContact O-N 3.29Å; Q65-I67 VanDerWaalsContact C-N 3.34Å; Q65-I67 PolarHBondContact O-N 2.83Å; Q65-R68 PolarHBondContact O-N 3.12Å; Q65-E69 WeakPolarHBondContact O-CB 3.49Å; Q65-E69 WeakPolarHBondContact O-CG 3.24Å; Q65-E69 PolarHBondContact O-N 3.44Å
66H97.2Very high96.4Very high36 Ų3657 Ų5717%0.16731%0.309CS..Hα-helixtrans-65.7-35.3-179.9-78-61.8000113.3L62 I63 D64 G70 T71 I72 V73L62-H66 PolarHBondContact O-CD2 2.8Å; L62-H66 PolarHBondContact O-N 3.43Å; I63-H66 PolarHBondContact O-N 3.03Å; D64-H66 PolarHBondContact O-N 3.18Å; H66-G70 PolarHBondContact O-N 3.16Å; H66-T71 WeakPolarHBondContact CA-OG1 3.45Å; H66-T71 PolarHBondContact ND1-OG1 2.91Å; H66-T71 PolarHBondContact O-N 2.95Å; H66-I72 PolarHBondContact CE1-O 3.26Å; H66-I72 PolarHBondContact ND1-O 3.47Å; H66-V73 HydrophobicContact CB-CG2 3.53Å
67I94.5Very high96.5Very high16 Ų1653.8 Ų53.88%0.08227%0.273CS..Hα-helixtrans-65.1-48.9176.4-74.2173.7000110.4R49 E52 I63 D64 Q65 G70 D146R49-I67 HydrophobicContact CG-CD1 3.77Å; E52-I67 VanDerWaalsContact OE2-CD1 3.25Å; E52-I67 WeakPolarHBondContact OE2-CD1 3.07Å; I63-I67 HydrophobicContact CG2-CD1 3.56Å; I63-I67 HydrophobicContact CG2-CG1 4.17Å; I63-I67 WeakPolarHBondContact O-CG1 3.29Å; I63-I67 PolarHBondContact O-N 2.76Å; D64-I67 PolarHBondContact O-N 2.67Å; Q65-I67 VanDerWaalsContact C-N 3.34Å; Q65-I67 PolarHBondContact O-N 2.83Å; I67-G70 PolarHBondContact O-N 2.65Å; I67-D146 HydrophobicContact CG2-CB 3.91Å
68R93Very high96.5Very high126 Ų12653.3 Ų53.348%0.47527%0.27SS..Hα-helixtrans-63.8-42179.6-69.6-174.5-63.3-177-1.8112.3D64 Q65 G70 S151D64-R68 WeakPolarHBondContact O-CG 3.27Å; D64-R68 PolarHBondContact O-N 3.37Å; D64-R68 IonicContact OD1-CZ 3.44Å; D64-R68 IonicContact OD1-NE 3.93Å; D64-R68 PolarHBondContact OD1-NE 3.02Å; D64-R68 IonicContact OD2-CZ 3.53Å; D64-R68 IonicContact OD2-NE 2.76Å; D64-R68 PolarHBondContact OD2-NE 2.74Å; D64-R68 IonicContact OD2-NH1 2.77Å; D64-R68 IonicContact OD2-NH2 2.75Å; D64-R68 PolarHBondContact OD2-NH2 2.84Å; Q65-R68 PolarHBondContact O-N 3.12Å; R68-G70 VanDerWaalsContact C-N 3.27Å; R68-G70 PolarHBondContact O-N 3.18Å; R68-S151 PolarHBondContact O-OG 3.27Å
69E94.4Very high96.6Very high85 Ų8548.1 Ų48.140%0.39724%0.236SC..THydrogen-bonded Turntrans-80.5-3.7-180-65-52141.300114.1Q65 T71 K154Q65-E69 WeakPolarHBondContact O-CB 3.49Å; Q65-E69 WeakPolarHBondContact O-CG 3.24Å; Q65-E69 PolarHBondContact O-N 3.44Å; E69-T71 HydrophobicContact CB-CG2 4.12Å; E69-T71 PolarHBondContact O-N 2.85Å; E69-T71 VanDerWaalsContact O-N 3.16Å; E69-K154 WeakPolarHBondContact O-CB 3.23Å; E69-K154 WeakPolarHBondContact O-CD 3.48Å; E69-K154 IonicContact OE1-NZ 3.56Å; E69-K154 IonicContact OE2-NZ 3.05Å; E69-K154 PolarHBondContact OE2-NZ 3.35Å
70G92.2Very high96.6Very high7 Ų751.6 Ų51.67%0.07225%0.247CC..THydrogen-bonded Turntrans62.322.5-178.700000113.9H66 I67 R68 T158H66-G70 PolarHBondContact O-N 3.16Å; I67-G70 PolarHBondContact O-N 2.65Å; R68-G70 VanDerWaalsContact C-N 3.27Å; R68-G70 PolarHBondContact O-N 3.18Å; G70-T158 PolarHBondContact O-OG1 3.42Å
71T94.6Very high96.6Very high60 Ų6047.5 Ų47.537%0.36823%0.23SC..  trans-95.1177.5179.553.80000110.9H66 E69H66-T71 WeakPolarHBondContact CA-OG1 3.45Å; H66-T71 PolarHBondContact ND1-OG1 2.91Å; H66-T71 PolarHBondContact O-N 2.95Å; E69-T71 HydrophobicContact CB-CG2 4.12Å; E69-T71 PolarHBondContact O-N 2.85Å; E69-T71 VanDerWaalsContact O-N 3.16Å
72I95.6Very high96.7Very high26 Ų2641.7 Ų41.713%0.13320%0.199CC..PPolyproline II helixtrans-96.9122.4-174.6-57.4-56.3000109.6H66 R102 N106 T158H66-I72 PolarHBondContact CE1-O 3.26Å; H66-I72 PolarHBondContact ND1-O 3.47Å; I72-R102 HydrophobicContact CD1-CB 3.6Å; I72-R102 HydrophobicContact CD1-CG 4.43Å; I72-N106 WeakPolarHBondContact CG2-ND2 3.42Å; I72-N106 WeakPolarHBondContact CG2-OD1 3.27Å; I72-T158 HydrophobicContact CD1-CG2 3.67Å; I72-T158 HydrophobicContact CG1-CG2 3.93Å
73V97.4Very high96.7Very high8 Ų839.8 Ų39.85%0.04819%0.188CC..PPolyproline II helixtrans-62142.9171.3177.70000109.7L48 I63 H66 I77L48-V73 HydrophobicContact CD1-CB 4.18Å; L48-V73 HydrophobicContact CD1-CG2 3.93Å; L48-V73 HydrophobicContact CD2-CB 4.08Å; L48-V73 HydrophobicContact CD2-CG1 3.74Å; L48-V73 HydrophobicContact CD2-CG2 4.02Å; I63-V73 HydrophobicContact CG1-CG1 4.25Å; H66-V73 HydrophobicContact CB-CG2 3.53Å; V73-I77 HydrophobicContact CG1-CB 4.05Å; V73-I77 HydrophobicContact CG1-CD1 4.14Å; V73-I77 HydrophobicContact CG1-CG2 4.11Å
74P97.6Very high96.6Very high44 Ų4442.4 Ų42.429%0.28620%0.202SC..PPolyproline II helixtrans-47139.7176.6-32.637.1000113.9L62 E76 I77 T78L62-P74 HydrophobicContact CD2-CG 4.29Å; P74-E76 VanDerWaalsContact C-N 3.29Å; P74-E76 PolarHBondContact O-N 3.14Å; P74-I77 HydrophobicContact CB-CD1 4.28Å; P74-I77 HydrophobicContact CG-CD1 4.35Å; P74-I77 PolarHBondContact O-N 3.22Å; P74-T78 PolarHBondContact O-N 3.03Å; P74-T78 PolarHBondContact O-OG1 3.37Å
75V98Very high96.7Very high0 Ų041.7 Ų41.70%020%0.201CC..Hα-helixtrans-62.1-35.6-172.660.80000112.6I77 T78 C79 F100V75-I77 VanDerWaalsContact C-N 3.34Å; V75-I77 PolarHBondContact O-N 3.21Å; V75-T78 PolarHBondContact O-N 2.99Å; V75-C79 WeakPolarHBondContact O-CB 3.22Å; V75-C79 PolarHBondContact O-N 3.06Å; V75-C79 PolarHBondContact O-SG 3.48Å; V75-F100 HydrophobicContact CG2-CE2 4.38Å; V75-F100 HydrophobicContact CG2-CZ 4.06Å
76E98Very high96.7Very high93 Ų9336.5 Ų36.544%0.43518%0.177SC..Hα-helixtrans-60.1-43.4179.4-71.366.7-148.400111.8P74 R80 R112P74-E76 VanDerWaalsContact C-N 3.29Å; P74-E76 PolarHBondContact O-N 3.14Å; E76-R80 VanDerWaalsContact O-CB 3.23Å; E76-R80 WeakPolarHBondContact O-CB 3.28Å; E76-R80 PolarHBondContact O-N 2.91Å; E76-R112 IonicContact OE1-CZ 2.78Å; E76-R112 IonicContact OE1-NH2 2.91Å; E76-R112 PolarHBondContact OE1-NH2 3.45Å
77I98.1Very high96.5Very high14 Ų1439 Ų397%0.07219%0.189CC..Hα-helixtrans-65.8-48.5179.6-61.6171.8000109.1L48 F59 L62 I63 V73 P74 V75 R80 L81L48-I77 HydrophobicContact CD2-CG2 4.26Å; F59-I77 HydrophobicContact CB-CD1 4.43Å; F59-I77 HydrophobicContact CD1-CD1 3.44Å; F59-I77 VanDerWaalsContact CD1-CD1 3.44Å; F59-I77 HydrophobicContact CD1-CG1 3.81Å; F59-I77 HydrophobicContact CE1-CD1 3.95Å; F59-I77 HydrophobicContact CE1-CG1 3.92Å; F59-I77 HydrophobicContact CG-CD1 4.1Å; F59-I77 HydrophobicContact CG-CG1 4.35Å; F59-I77 HydrophobicContact CG-CG2 4.39Å; L62-I77 HydrophobicContact CD2-CD1 3.51Å; I63-I77 HydrophobicContact CD1-CG2 4.17Å; V73-I77 HydrophobicContact CG1-CB 4.05Å; V73-I77 HydrophobicContact CG1-CD1 4.14Å; V73-I77 HydrophobicContact CG1-CG2 4.11Å; P74-I77 HydrophobicContact CB-CD1 4.28Å; P74-I77 HydrophobicContact CG-CD1 4.35Å; P74-I77 PolarHBondContact O-N 3.22Å; V75-I77 VanDerWaalsContact C-N 3.34Å; V75-I77 PolarHBondContact O-N 3.21Å; I77-R80 PolarHBondContact O-N 3.22Å; I77-L81 HydrophobicContact CG2-CD1 4.1Å; I77-L81 VanDerWaalsContact O-CG 3.31Å; I77-L81 WeakPolarHBondContact O-CG 3.11Å; I77-L81 PolarHBondContact O-N 2.89Å
78T98.3Very high96.5Very high5 Ų545.1 Ų45.13%0.03122%0.217CC..Hα-helixtrans-65.2-43.8-177.7-53.70000111.5A44 P74 V75 L81 L82 F100A44-T78 HydrophobicContact CB-CG2 4.01Å; P74-T78 PolarHBondContact O-N 3.03Å; P74-T78 PolarHBondContact O-OG1 3.37Å; V75-T78 PolarHBondContact O-N 2.99Å; T78-L81 PolarHBondContact O-N 2.88Å; T78-L82 HydrophobicContact CG2-CD1 3.95Å; T78-L82 HydrophobicContact CG2-CG 4.47Å; T78-L82 WeakPolarHBondContact O-CB 3.18Å; T78-L82 VanDerWaalsContact O-CG 3.28Å; T78-L82 WeakPolarHBondContact O-CG 3.46Å; T78-L82 PolarHBondContact O-N 2.6Å; T78-F100 HydrophobicContact CG2-CD2 3.51Å; T78-F100 HydrophobicContact CG2-CE2 3.78Å; T78-F100 HydrophobicContact CG2-CG 4.22Å
79C98.3Very high96.4Very high1 Ų140 Ų401%0.00720%0.202CC..Hα-helixtrans-63.9-42.5177.1-68.60000111.7V75 L81 L82 E83 I113V75-C79 WeakPolarHBondContact O-CB 3.22Å; V75-C79 PolarHBondContact O-N 3.06Å; V75-C79 PolarHBondContact O-SG 3.48Å; C79-L81 PolarHBondContact O-N 3.27Å; C79-L82 PolarHBondContact O-N 3.24Å; C79-E83 VanDerWaalsContact O-CB 3.32Å; C79-E83 WeakPolarHBondContact O-CB 3.26Å; C79-E83 PolarHBondContact O-N 3.12Å; C79-I113 HydrophobicContact CB-CD1 3.93Å; C79-I113 HydrophobicContact CB-CG2 4.18Å
80R98Very high95.9Very high129 Ų12944 Ų4449%0.48722%0.22SC..Hα-helixtrans-59.4-45.4176179.9179179.2-126.91.1111.9E76 I77 N84E76-R80 VanDerWaalsContact O-CB 3.23Å; E76-R80 WeakPolarHBondContact O-CB 3.28Å; E76-R80 PolarHBondContact O-N 2.91Å; I77-R80 PolarHBondContact O-N 3.22Å; R80-N84 WeakPolarHBondContact O-CB 3.42Å; R80-N84 PolarHBondContact O-N 3.19Å; R80-N84 PolarHBondContact O-ND2 3.39Å
81L98.5Very high95.4Very high19 Ų1947.7 Ų47.710%0.09926%0.259CS..Hα-helixtrans-65.2-42.6178.8-69174.1000112L47 L48 E51 I77 T78 C79 A85L47-L81 HydrophobicContact CB-CB 4.22Å; L47-L81 HydrophobicContact CB-CD1 4.49Å; L47-L81 HydrophobicContact CD1-CB 4.49Å; L48-L81 HydrophobicContact CD2-CD1 3.81Å; L48-L81 HydrophobicContact CG-CD1 4.39Å; E51-L81 HydrophobicContact CB-CD1 3.97Å; E51-L81 HydrophobicContact CB-CD2 4.14Å; E51-L81 HydrophobicContact CG-CD1 4.26Å; E51-L81 HydrophobicContact CG-CD2 4.14Å; E51-L81 WeakPolarHBondContact OE2-CD2 3.33Å; I77-L81 HydrophobicContact CG2-CD1 4.1Å; I77-L81 VanDerWaalsContact O-CG 3.31Å; I77-L81 WeakPolarHBondContact O-CG 3.11Å; I77-L81 PolarHBondContact O-N 2.89Å; T78-L81 PolarHBondContact O-N 2.88Å; C79-L81 PolarHBondContact O-N 3.27Å; L81-A85 WeakPolarHBondContact O-CB 3.35Å; L81-A85 PolarHBondContact O-N 2.97Å; L81-A85 VanDerWaalsContact O-N 3.12Å
82L98.4Very high95Very high0 Ų046.3 Ų46.30%025%0.253CS..Hα-helixtrans-63.2-48.3176.5-72.9168.1000111.1L42 L47 T78 C79 A85 M86 I97 F100 W110L42-L82 HydrophobicContact CB-CD2 4.08Å; L47-L82 HydrophobicContact CD1-CD2 3.59Å; L47-L82 HydrophobicContact CD1-CG 4.16Å; T78-L82 HydrophobicContact CG2-CD1 3.95Å; T78-L82 HydrophobicContact CG2-CG 4.47Å; T78-L82 WeakPolarHBondContact O-CB 3.18Å; T78-L82 VanDerWaalsContact O-CG 3.28Å; T78-L82 WeakPolarHBondContact O-CG 3.46Å; T78-L82 PolarHBondContact O-N 2.6Å; C79-L82 PolarHBondContact O-N 3.24Å; L82-A85 PolarHBondContact O-N 3.07Å; L82-M86 VanDerWaalsContact O-CG 3.26Å; L82-M86 WeakPolarHBondContact O-CG 3.5Å; L82-M86 PolarHBondContact O-N 3.25Å; L82-I97 HydrophobicContact CD1-CG2 4.04Å; L82-I97 HydrophobicContact CD2-CD1 4.21Å; L82-I97 HydrophobicContact CD2-CG2 4.02Å; L82-F100 HydrophobicContact CD1-CB 4.49Å; L82-F100 HydrophobicContact CD1-CD1 4.02Å; L82-F100 HydrophobicContact CD1-CE1 4.48Å; L82-F100 HydrophobicContact CD1-CG 4.14Å; L82-W110 HydrophobicContact CD1-CZ3 3.95Å
83E97.3Very high94.7Very high23 Ų2349.1 Ų49.111%0.10727%0.271CS..Hα-helixtrans-59.9-49.4178.7175.4166.8-14700111.7C79 A85 M86 Q87 M114 R117C79-E83 VanDerWaalsContact O-CB 3.32Å; C79-E83 WeakPolarHBondContact O-CB 3.26Å; C79-E83 PolarHBondContact O-N 3.12Å; E83-A85 PolarHBondContact O-N 3.16Å; E83-M86 PolarHBondContact O-N 3.05Å; E83-M86 VanDerWaalsContact O-N 3.07Å; E83-Q87 HydrophobicContact CG-CG 4.22Å; E83-Q87 WeakPolarHBondContact O-CG 3.49Å; E83-Q87 PolarHBondContact O-N 2.92Å; E83-Q87 PolarHBondContact OE1-NE2 3.38Å; E83-M114 HydrophobicContact CB-CE 4.2Å; E83-M114 HydrophobicContact CB-SD 4.12Å; E83-R117 VanDerWaalsContact CD-NH1 3.34Å; E83-R117 WeakPolarHBondContact OE1-CD 3.47Å; E83-R117 IonicContact OE1-CZ 3.03Å; E83-R117 IonicContact OE1-NE 3.91Å; E83-R117 IonicContact OE1-NH1 3.66Å; E83-R117 PolarHBondContact OE1-NH1 3.12Å; E83-R117 IonicContact OE2-NH1 3.59Å; E83-R117 PolarHBondContact OE2-NH1 3.01Å
84N97.3Very high94.5Very high55 Ų5548.8 Ų48.829%0.29427%0.27SS..Hα-helixtrans-56.5-40.3178.2-73.8-12.3000111.4R80 Q88R80-N84 WeakPolarHBondContact O-CB 3.42Å; R80-N84 PolarHBondContact O-N 3.19Å; R80-N84 PolarHBondContact O-ND2 3.39Å; N84-Q88 VanDerWaalsContact O-CG 3.31Å; N84-Q88 WeakPolarHBondContact O-CG 3.31Å; N84-Q88 PolarHBondContact O-N 3.29Å; N84-Q88 PolarHBondContact O-NE2 2.94Å
85A97.2Very high94.4Very high18 Ų1846.8 Ų46.815%0.14926%0.256CS..Hα-helixtrans-69.4-37.8177.500000112.5L42 L47 L81 L82 E83 Q88 A89L42-A85 HydrophobicContact CD1-CB 4.03Å; L42-A85 HydrophobicContact CD2-CB 3.68Å; L42-A85 HydrophobicContact CG-CB 4.48Å; L47-A85 HydrophobicContact CD1-CB 4.26Å; L47-A85 HydrophobicContact CD2-CB 4.07Å; L81-A85 WeakPolarHBondContact O-CB 3.35Å; L81-A85 PolarHBondContact O-N 2.97Å; L81-A85 VanDerWaalsContact O-N 3.12Å; L82-A85 PolarHBondContact O-N 3.07Å; E83-A85 PolarHBondContact O-N 3.16Å; A85-Q88 PolarHBondContact O-N 3.1Å; A85-A89 WeakPolarHBondContact O-CB 3.29Å; A85-A89 PolarHBondContact O-N 3.28Å
86M96.1Very high94.3Very high1 Ų146.8 Ų46.81%0.00526%0.256CS..Hα-helixtrans-65.8-39.2175-67.8170.67500111.8W13 V15 L42 L82 E83 A89 F95 I97 M114 V118W13-M86 HydrophobicContact CB-CE 3.48Å; W13-M86 VanDerWaalsContact CB-CE 3.48Å; W13-M86 HydrophobicContact CD2-CB 4.47Å; W13-M86 HydrophobicContact CD2-CE 3.7Å; W13-M86 HydrophobicContact CE3-CB 4.46Å; W13-M86 HydrophobicContact CE3-CE 3.52Å; W13-M86 HydrophobicContact CE3-SD 4.46Å; W13-M86 HydrophobicContact CG-CE 3.73Å; W13-M86 HydrophobicContact CZ3-CB 4.47Å; W13-M86 HydrophobicContact CZ3-CE 4.4Å; V15-M86 HydrophobicContact CG2-CE 3.88Å; L42-M86 HydrophobicContact CD1-CB 4.48Å; L42-M86 HydrophobicContact CD1-CG 3.41Å; L42-M86 VanDerWaalsContact CD1-CG 3.41Å; L82-M86 VanDerWaalsContact O-CG 3.26Å; L82-M86 WeakPolarHBondContact O-CG 3.5Å; L82-M86 PolarHBondContact O-N 3.25Å; E83-M86 PolarHBondContact O-N 3.05Å; E83-M86 VanDerWaalsContact O-N 3.07Å; M86-A89 PolarHBondContact O-N 3.26Å; M86-F95 HydrophobicContact CB-CD2 4.47Å; M86-F95 HydrophobicContact CB-CE1 4.18Å; M86-F95 HydrophobicContact CB-CE2 4.05Å; M86-F95 HydrophobicContact CB-CZ 3.89Å; M86-F95 HydrophobicContact CE-CB 4.36Å; M86-F95 HydrophobicContact CE-CD2 3.5Å; M86-F95 HydrophobicContact CE-CE2 3.98Å; M86-F95 HydrophobicContact CE-CG 4.02Å; M86-F95 HydrophobicContact CG-CD1 3.92Å; M86-F95 HydrophobicContact CG-CD2 4.01Å; M86-F95 HydrophobicContact CG-CE1 4Å; M86-F95 HydrophobicContact CG-CE2 4.08Å; M86-F95 HydrophobicContact CG-CG 3.91Å; M86-F95 HydrophobicContact CG-CZ 4.08Å; M86-F95 WeakPolarHBondContact O-CZ 3.46Å; M86-I97 HydrophobicContact SD-CD1 4.44Å; M86-M114 HydrophobicContact SD-CE 4.06Å; M86-V118 HydrophobicContact CE-CG1 4Å
87Q94.8Very high94.3Very high90 Ų9042.4 Ų42.442%0.42124%0.236SC..Hα-helixtrans-66.7-35.6178-70.9176.8-100112.8W13 E83 A89 H90W13-Q87 HydrophobicContact CH2-CG 3.75Å; W13-Q87 HydrophobicContact CZ2-CG 4.15Å; E83-Q87 HydrophobicContact CG-CG 4.22Å; E83-Q87 WeakPolarHBondContact O-CG 3.49Å; E83-Q87 PolarHBondContact O-N 2.92Å; E83-Q87 PolarHBondContact OE1-NE2 3.38Å; Q87-A89 VanDerWaalsContact C-N 3.3Å; Q87-H90 PolarHBondContact O-CE1 3.42Å
88Q94.1Very high94.2Very high144 Ų14442.1 Ų42.167%0.67323%0.234SC*.Hα-helixtrans-77.6-15.4177.3-69.6172.643.200113.2N84 A85 H90N84-Q88 VanDerWaalsContact O-CG 3.31Å; N84-Q88 WeakPolarHBondContact O-CG 3.31Å; N84-Q88 PolarHBondContact O-N 3.29Å; N84-Q88 PolarHBondContact O-NE2 2.94Å; A85-Q88 PolarHBondContact O-N 3.1Å; Q88-H90 PolarHBondContact O-N 2.89Å
89A90Very high94.1Very high19 Ų1942.3 Ų42.316%0.15724%0.237CC..  trans-91.987-17700000111.6L40 A85 M86 Q87 F95L40-A89 HydrophobicContact CD1-CB 3.8Å; L40-A89 HydrophobicContact CD2-CB 4.47Å; A85-A89 WeakPolarHBondContact O-CB 3.29Å; A85-A89 PolarHBondContact O-N 3.28Å; M86-A89 PolarHBondContact O-N 3.26Å; Q87-A89 VanDerWaalsContact C-N 3.3Å; A89-F95 HydrophobicContact CB-CE1 3.44Å; A89-F95 VanDerWaalsContact CB-CE1 3.44Å; A89-F95 HydrophobicContact CB-CZ 3.68Å
90H83.9Confident94.1Very high167 Ų16742.3 Ų42.377%0.77324%0.237SC*.THydrogen-bonded Turntrans-76.4144.3177.3-54.9-61.2000112.4Q87 Q88 A92Q87-H90 PolarHBondContact O-CE1 3.42Å; Q88-H90 PolarHBondContact O-N 2.89Å; H90-A92 VanDerWaalsContact C-N 3.3Å; H90-A92 PolarHBondContact O-N 2.94Å
91G82.5Confident94.1Very high86 Ų8636.1 Ų36.189%0.88721%0.214SC*.THydrogen-bonded Turntrans77.12.8171.200000116.4
92A86.4Confident94.1Very high31 Ų3138.8 Ų38.826%0.25622%0.223SC..  trans-71.2136.8174.800000111.2L40 H90 G94 F95L40-A92 HydrophobicContact CB-CB 4.03Å; H90-A92 VanDerWaalsContact C-N 3.3Å; H90-A92 PolarHBondContact O-N 2.94Å; A92-G94 PolarHBondContact O-N 3.34Å; A92-F95 HydrophobicContact CB-CE1 4.33Å; A92-F95 HydrophobicContact CB-CZ 4.13Å
93V88.2Confident94.1Very high85 Ų8540 Ų4052%0.51523%0.229SC..SBendtrans-72.7-14.5174.3-59.30000112.9N14 F37 G38 Y39N14-V93 PolarHBondContact ND2-O 3.4Å; F37-V93 VanDerWaalsContact O-CG2 3.3Å; F37-V93 WeakPolarHBondContact O-CG2 3.18Å; G38-V93 VanDerWaalsContact C-CG2 3.49Å; Y39-V93 HydrophobicContact CD2-CG2 3.96Å; Y39-V93 HydrophobicContact CE2-CG2 4.05Å; Y39-V93 HydrophobicContact CG-CG2 4.48Å
94G93.5Very high94.1Very high1 Ų144.2 Ų44.21%0.0125%0.247CC..  trans170.8178.3-179.300000111.5N14 Y39 L40 A92N14-G94 CarbonylContact O-C 3.17Å; N14-G94 WeakPolarHBondContact O-CA 3.39Å; Y39-G94 VanDerWaalsContact CA-O 3.31Å; Y39-G94 WeakPolarHBondContact CA-O 3.29Å; Y39-G94 VanDerWaalsContact CD1-C 3.46Å; L40-G94 PolarHBondContact N-O 2.9Å; A92-G94 PolarHBondContact O-N 3.34Å
95F95.6Very high94.1Very high2 Ų245.7 Ų45.71%0.00926%0.255CS..EExtended strand (participates in β ladder)trans-123.9134-175.9-64.7-85.5000111.9W13 N14 V15 V16 L40 L42 M86 A89 A92 I97W13-F95 HydrophobicContact CB-CD2 4.03Å; W13-F95 HydrophobicContact CB-CE2 4.15Å; W13-F95 AromaticContact CD1-CE2 3.62Å; W13-F95 HydrophobicContact CG-CD2 4.23Å; W13-F95 AromaticContact CG-CE2 3.85Å; W13-F95 HydrophobicContact CG-CE2 3.85Å; N14-F95 PolarHBondContact O-N 3.32Å; V15-F95 WeakPolarHBondContact CA-O 3.47Å; V15-F95 HydrophobicContact CG2-CB 4.46Å; V16-F95 PolarHBondContact N-O 3.1Å; L40-F95 HydrophobicContact CB-CD1 4.05Å; L40-F95 HydrophobicContact CB-CE1 4.11Å; L40-F95 HydrophobicContact CD2-CD1 4.18Å; L40-F95 HydrophobicContact CD2-CE1 4.17Å; L40-F95 CarbonylContact O-C 3.59Å; L40-F95 WeakPolarHBondContact O-CA 3.16Å; L42-F95 HydrophobicContact CD1-CD1 3.59Å; L42-F95 HydrophobicContact CD1-CE1 4.12Å; L42-F95 HydrophobicContact CD1-CG 4.3Å; L42-F95 HydrophobicContact CG-CD1 4.03Å; M86-F95 HydrophobicContact CB-CD2 4.47Å; M86-F95 HydrophobicContact CB-CE1 4.18Å; M86-F95 HydrophobicContact CB-CE2 4.05Å; M86-F95 HydrophobicContact CB-CZ 3.89Å; M86-F95 HydrophobicContact CE-CB 4.36Å; M86-F95 HydrophobicContact CE-CD2 3.5Å; M86-F95 HydrophobicContact CE-CE2 3.98Å; M86-F95 HydrophobicContact CE-CG 4.02Å; M86-F95 HydrophobicContact CG-CD1 3.92Å; M86-F95 HydrophobicContact CG-CD2 4.01Å; M86-F95 HydrophobicContact CG-CE1 4Å; M86-F95 HydrophobicContact CG-CE2 4.08Å; M86-F95 HydrophobicContact CG-CG 3.91Å; M86-F95 HydrophobicContact CG-CZ 4.08Å; M86-F95 WeakPolarHBondContact O-CZ 3.46Å; A89-F95 HydrophobicContact CB-CE1 3.44Å; A89-F95 VanDerWaalsContact CB-CE1 3.44Å; A89-F95 HydrophobicContact CB-CZ 3.68Å; A92-F95 HydrophobicContact CB-CE1 4.33Å; A92-F95 HydrophobicContact CB-CZ 4.13Å; F95-I97 HydrophobicContact CB-CD1 3.84Å
96I95.9Very high94.2Very high0 Ų044.9 Ų44.90%025%0.248CC..EExtended strand (participates in β ladder)trans-92.6115.3166.2-70.5163.1000107.4V16 V18 C30 I33 Y39 L40 L42 F194V16-I96 WeakPolarHBondContact O-CA 3.3Å; V18-I96 HydrophobicContact CB-CG2 4.46Å; V18-I96 HydrophobicContact CG2-CG2 3.47Å; V18-I96 VanDerWaalsContact CG2-CG2 3.47Å; C30-I96 HydrophobicContact CB-CG2 4.16Å; I33-I96 HydrophobicContact CB-CD1 3.97Å; I33-I96 HydrophobicContact CG2-CD1 3.41Å; I33-I96 VanDerWaalsContact CG2-CD1 3.41Å; Y39-I96 HydrophobicContact CD1-CG1 4.19Å; Y39-I96 HydrophobicContact CG-CD1 4.42Å; Y39-I96 HydrophobicContact CG-CG1 4.26Å; L40-I96 PolarHBondContact O-N 3.31Å; L42-I96 PolarHBondContact N-O 3.32Å; I96-F194 HydrophobicContact CD1-CZ 4.35Å
97I97.6Very high94.3Very high0 Ų045 Ų450%025%0.249CC..EExtended strand (participates in β ladder)trans-100.7101.6179-51.4-55.8000108.2V15 V16 F17 V18 L42 L82 M86 F95 F100 W110V15-I97 HydrophobicContact CG1-CB 4.5Å; V15-I97 HydrophobicContact CG1-CG1 3.68Å; V15-I97 HydrophobicContact CG2-CG1 4.42Å; V16-I97 PolarHBondContact O-N 3.25Å; F17-I97 HydrophobicContact CD1-CB 3.75Å; F17-I97 HydrophobicContact CD1-CG1 4.4Å; F17-I97 HydrophobicContact CD1-CG2 3.95Å; F17-I97 HydrophobicContact CE1-CB 4.07Å; F17-I97 HydrophobicContact CE1-CG1 4.36Å; F17-I97 HydrophobicContact CE1-CG2 4.03Å; V18-I97 PolarHBondContact N-O 3.29Å; L42-I97 HydrophobicContact CB-CD1 4.03Å; L42-I97 HydrophobicContact CD1-CD1 3.99Å; L42-I97 HydrophobicContact CG-CD1 4.47Å; L42-I97 WeakPolarHBondContact O-CA 3.41Å; L82-I97 HydrophobicContact CD1-CG2 4.04Å; L82-I97 HydrophobicContact CD2-CD1 4.21Å; L82-I97 HydrophobicContact CD2-CG2 4.02Å; M86-I97 HydrophobicContact SD-CD1 4.44Å; F95-I97 HydrophobicContact CB-CD1 3.84Å; I97-F100 HydrophobicContact CG2-CB 4.11Å; I97-F100 HydrophobicContact CG2-CD1 4.42Å; I97-W110 HydrophobicContact CG1-CH2 4.44Å
98D96.6Very high94.4Very high8 Ų844.2 Ų44.24%0.04325%0.247CC..EExtended strand (participates in β ladder)trans-91.8121.6-175.2171.612.8000111.5K26 G27 H41 L42 A44K26-D98 WeakPolarHBondContact CB-OD1 3.25Å; K26-D98 VanDerWaalsContact CD-OD1 3.29Å; K26-D98 WeakPolarHBondContact CD-OD1 3.33Å; K26-D98 VanDerWaalsContact CE-OD1 3.22Å; K26-D98 WeakPolarHBondContact CE-OD1 3.39Å; G27-D98 WeakPolarHBondContact CA-OD2 3.31Å; G27-D98 PolarHBondContact N-OD2 2.77Å; H41-D98 IonicContact CE1-OD2 3.81Å; H41-D98 WeakPolarHBondContact NE2-CB 3.35Å; H41-D98 IonicContact NE2-OD2 2.86Å; H41-D98 PolarHBondContact NE2-OD2 3.23Å; L42-D98 PolarHBondContact O-N 2.79Å; A44-D98 PolarHBondContact N-O 3.23Å
99G96.3Very high94.6Very high9 Ų937.4 Ų37.49%0.09322%0.216CC..THydrogen-bonded Turntrans80.228.6173.900000114.4V18 R102V18-G99 PolarHBondContact O-N 2.88Å; G99-R102 WeakPolarHBondContact O-CD 3.19Å; G99-R102 WeakPolarHBondContact O-CG 3.49Å; G99-R102 PolarHBondContact O-NE 3.12Å
100F98.4Very high95Very high1 Ų136.6 Ų36.60%0.00421%0.209CC..  trans-154.2145.8173.2-178-84.2000109.8F17 A44 V75 T78 L82 I97 N106 W110F17-F100 WeakPolarHBondContact CD1-O 3.41Å; F17-F100 HydrophobicContact CE1-CD1 4.37Å; A44-F100 HydrophobicContact CB-CB 3.81Å; V75-F100 HydrophobicContact CG2-CE2 4.38Å; V75-F100 HydrophobicContact CG2-CZ 4.06Å; T78-F100 HydrophobicContact CG2-CD2 3.51Å; T78-F100 HydrophobicContact CG2-CE2 3.78Å; T78-F100 HydrophobicContact CG2-CG 4.22Å; L82-F100 HydrophobicContact CD1-CB 4.49Å; L82-F100 HydrophobicContact CD1-CD1 4.02Å; L82-F100 HydrophobicContact CD1-CE1 4.48Å; L82-F100 HydrophobicContact CD1-CG 4.14Å; I97-F100 HydrophobicContact CG2-CB 4.11Å; I97-F100 HydrophobicContact CG2-CD1 4.42Å; F100-N106 HydrophobicContact CD2-CB 4.22Å; F100-N106 HydrophobicContact CE2-CB 3.52Å; F100-N106 VanDerWaalsContact CE2-CG 3.42Å; F100-N106 WeakPolarHBondContact CE2-OD1 3.29Å; F100-N106 HydrophobicContact CZ-CB 3.78Å; F100-N106 WeakPolarHBondContact CZ-O 3.33Å; F100-W110 HydrophobicContact CD1-CE3 4.03Å; F100-W110 HydrophobicContact CD1-CZ3 4.46Å; F100-W110 HydrophobicContact CE1-CB 3.83Å; F100-W110 AromaticContact CE1-CD2 3.93Å; F100-W110 HydrophobicContact CE1-CD2 3.93Å; F100-W110 AromaticContact CE1-CE3 3.41Å; F100-W110 HydrophobicContact CE1-CE3 3.41Å; F100-W110 VanDerWaalsContact CE1-CE3 3.41Å; F100-W110 HydrophobicContact CE1-CG 4.13Å; F100-W110 HydrophobicContact CE1-CZ3 4.23Å; F100-W110 HydrophobicContact CZ-CB 4.16Å; F100-W110 HydrophobicContact CZ-CE3 4.29Å
101P98.4Very high95.7Very high0 Ų032 Ų320%019%0.191CC..  cis-73.4149.6-729.6-33.9000112.7L19 N106 L107 I166 F170L19-P101 VanDerWaalsContact CD2-O 3.29Å; L19-P101 WeakPolarHBondContact CD2-O 3.44Å; P101-N106 HydrophobicContact CB-CB 3.61Å; P101-L107 HydrophobicContact CB-CB 4.22Å; P101-L107 HydrophobicContact CG-CB 4.28Å; P101-L107 HydrophobicContact CG-CD1 4.15Å; P101-I166 HydrophobicContact CG-CG2 4.08Å; P101-F170 HydrophobicContact CG-CE2 4.02Å; P101-F170 HydrophobicContact CG-CZ 4.12Å
102R97.4Very high96.4Very high74 Ų7435.3 Ų35.328%0.27918%0.176SC..  trans-112.3-8.4-177.3-83.3-171-96.4166.2-1.8115.4I72 G99 N106 N162 T163I72-R102 HydrophobicContact CD1-CB 3.6Å; I72-R102 HydrophobicContact CD1-CG 4.43Å; G99-R102 WeakPolarHBondContact O-CD 3.19Å; G99-R102 WeakPolarHBondContact O-CG 3.49Å; G99-R102 PolarHBondContact O-NE 3.12Å; R102-N106 PolarHBondContact N-OD1 3.19Å; R102-N162 CarbonylContact O-C 3.22Å; R102-T163 HydrophobicContact CG-CG2 4.47Å; R102-T163 WeakPolarHBondContact O-CA 3.33Å; R102-T163 WeakPolarHBondContact O-CB 3.5Å; R102-T163 PolarHBondContact O-N 2.98Å; R102-T163 VanDerWaalsContact O-N 3.17Å; R102-T163 PolarHBondContact O-OG1 3.39Å
103N97.9Very high96.9Very high25 Ų2535.5 Ų35.513%0.13417%0.173CC..SBendtrans-153.4179.4175.668.7-4.9000109.8N106 L107 N162 I166N103-N106 PolarHBondContact O-N 3.45Å; N103-N106 WeakPolarHBondContact OD1-CB 3.41Å; N103-N106 PolarHBondContact OD1-N 3.27Å; N103-N106 PolarHBondContact OD1-ND2 2.79Å; N103-N106 PolarHBondContact OD1-OD1 3.16Å; N103-L107 PolarHBondContact O-N 3.21Å; N103-N162 HydrophobicContact CB-CB 3.8Å; N103-I166 VanDerWaalsContact C-CD1 3.43Å; N103-I166 WeakPolarHBondContact O-CD1 3.38Å
104K97.9Very high97.4Very high112 Ų11231.5 Ų31.549%0.48715%0.148SC..Hα-helixtrans-66.5-41.6-177.4-173.958.1163.277.20112.5N106 L107 D108 I166K104-N106 VanDerWaalsContact C-N 3.33Å; K104-N106 PolarHBondContact O-N 3.4Å; K104-L107 PolarHBondContact O-N 2.98Å; K104-L107 VanDerWaalsContact O-N 3.11Å; K104-D108 IonicContact NZ-OD1 3.63Å; K104-D108 PolarHBondContact NZ-OD1 2.92Å; K104-D108 IonicContact NZ-OD2 2.64Å; K104-D108 PolarHBondContact NZ-OD2 3.29Å; K104-D108 PolarHBondContact O-N 3.22Å; K104-I166 HydrophobicContact CB-CD1 4.22Å; K104-I166 HydrophobicContact CD-CD1 4.33Å
105D97.6Very high97.5Very high86 Ų8634.9 Ų34.946%0.4617%0.172SC..Hα-helixtrans-57.5-44175.5176.868.4000112.3L107 D108 G109D105-L107 PolarHBondContact O-N 3.33Å; D105-D108 PolarHBondContact O-N 3.26Å; D105-G109 PolarHBondContact O-N 2.99Å
106N98.3Very high97.5Very high2 Ų239.9 Ų39.91%0.01120%0.199CC..Hα-helixtrans-59.7-44.4173.6-75.7-176.9000112.4I72 F100 P101 R102 N103 K104 W110I72-N106 WeakPolarHBondContact CG2-ND2 3.42Å; I72-N106 WeakPolarHBondContact CG2-OD1 3.27Å; F100-N106 HydrophobicContact CD2-CB 4.22Å; F100-N106 HydrophobicContact CE2-CB 3.52Å; F100-N106 VanDerWaalsContact CE2-CG 3.42Å; F100-N106 WeakPolarHBondContact CE2-OD1 3.29Å; F100-N106 HydrophobicContact CZ-CB 3.78Å; F100-N106 WeakPolarHBondContact CZ-O 3.33Å; P101-N106 HydrophobicContact CB-CB 3.61Å; R102-N106 PolarHBondContact N-OD1 3.19Å; N103-N106 PolarHBondContact O-N 3.45Å; N103-N106 WeakPolarHBondContact OD1-CB 3.41Å; N103-N106 PolarHBondContact OD1-N 3.27Å; N103-N106 PolarHBondContact OD1-ND2 2.79Å; N103-N106 PolarHBondContact OD1-OD1 3.16Å; K104-N106 VanDerWaalsContact C-N 3.33Å; K104-N106 PolarHBondContact O-N 3.4Å; N106-W110 WeakPolarHBondContact O-CB 3.47Å; N106-W110 PolarHBondContact O-N 3.26Å
107L98.3Very high97.4Very high4 Ų443.4 Ų43.42%0.02121%0.212CC..Hα-helixtrans-65.5-44.3179.517761.4000111.3P101 N103 K104 D105 W110 N111 I166 H169 F170P101-L107 HydrophobicContact CB-CB 4.22Å; P101-L107 HydrophobicContact CG-CB 4.28Å; P101-L107 HydrophobicContact CG-CD1 4.15Å; N103-L107 PolarHBondContact O-N 3.21Å; K104-L107 PolarHBondContact O-N 2.98Å; K104-L107 VanDerWaalsContact O-N 3.11Å; D105-L107 PolarHBondContact O-N 3.33Å; L107-W110 PolarHBondContact O-N 3.02Å; L107-N111 WeakPolarHBondContact O-CB 3.06Å; L107-N111 VanDerWaalsContact O-CG 3.25Å; L107-N111 PolarHBondContact O-N 2.8Å; L107-N111 PolarHBondContact O-ND2 2.83Å; L107-I166 HydrophobicContact CB-CD1 4.29Å; L107-I166 HydrophobicContact CD2-CD1 4.14Å; L107-H169 VanDerWaalsContact CD2-CD2 3.41Å; L107-H169 WeakPolarHBondContact CD2-CD2 3.41Å; L107-F170 HydrophobicContact CD1-CE1 4.08Å; L107-F170 HydrophobicContact CD1-CZ 3.63Å
108D98.3Very high97.4Very high72 Ų7243.9 Ų43.939%0.38522%0.215SC..Hα-helixtrans-68.9-44.3-179.1-68.8-18000111.8K104 D105 W110 N111 R112K104-D108 IonicContact NZ-OD1 3.63Å; K104-D108 PolarHBondContact NZ-OD1 2.92Å; K104-D108 IonicContact NZ-OD2 2.64Å; K104-D108 PolarHBondContact NZ-OD2 3.29Å; K104-D108 PolarHBondContact O-N 3.22Å; D105-D108 PolarHBondContact O-N 3.26Å; D108-W110 VanDerWaalsContact C-N 3.35Å; D108-N111 PolarHBondContact O-N 3.38Å; D108-R112 WeakPolarHBondContact O-CB 3.35Å; D108-R112 PolarHBondContact O-N 2.96Å
109G98.2Very high97.4Very high2 Ų247 Ų472%0.02123%0.231CC..Hα-helixtrans-63.7-39.617400000112.2D105 R112 I113D105-G109 PolarHBondContact O-N 2.99Å; G109-R112 PolarHBondContact O-N 3.37Å; G109-I113 WeakPolarHBondContact O-CB 3.44Å; G109-I113 WeakPolarHBondContact O-CD1 3.45Å; G109-I113 WeakPolarHBondContact O-CG1 3.24Å; G109-I113 PolarHBondContact O-N 2.78Å
110W98.4Very high97.4Very high1 Ų148.6 Ų48.60%0.00424%0.24CC..Hα-helixtrans-58.9-50.4172.2176.3-88000111.7V15 F17 L82 I97 F100 N106 L107 D108 R112 I113 M114 V118V15-W110 HydrophobicContact CG1-CZ2 4.16Å; V15-W110 HydrophobicContact CG2-CZ2 4.36Å; F17-W110 HydrophobicContact CE1-CD2 4.35Å; F17-W110 HydrophobicContact CE1-CH2 4.2Å; F17-W110 AromaticContact CE1-CZ2 3.94Å; F17-W110 HydrophobicContact CE1-CZ2 3.94Å; F17-W110 AromaticContact CZ-CD2 3.96Å; F17-W110 HydrophobicContact CZ-CD2 3.96Å; F17-W110 AromaticContact CZ-CE2 3.48Å; F17-W110 VanDerWaalsContact CZ-CE2 3.48Å; F17-W110 HydrophobicContact CZ-CG 4.27Å; F17-W110 HydrophobicContact CZ-CH2 4.43Å; F17-W110 AromaticContact CZ-CZ2 3.74Å; F17-W110 HydrophobicContact CZ-CZ2 3.74Å; F17-W110 AromaticContact CZ-NE1 3.58Å; L82-W110 HydrophobicContact CD1-CZ3 3.95Å; I97-W110 HydrophobicContact CG1-CH2 4.44Å; F100-W110 HydrophobicContact CD1-CE3 4.03Å; F100-W110 HydrophobicContact CD1-CZ3 4.46Å; F100-W110 HydrophobicContact CE1-CB 3.83Å; F100-W110 AromaticContact CE1-CD2 3.93Å; F100-W110 HydrophobicContact CE1-CD2 3.93Å; F100-W110 AromaticContact CE1-CE3 3.41Å; F100-W110 HydrophobicContact CE1-CE3 3.41Å; F100-W110 VanDerWaalsContact CE1-CE3 3.41Å; F100-W110 HydrophobicContact CE1-CG 4.13Å; F100-W110 HydrophobicContact CE1-CZ3 4.23Å; F100-W110 HydrophobicContact CZ-CB 4.16Å; F100-W110 HydrophobicContact CZ-CE3 4.29Å; N106-W110 WeakPolarHBondContact O-CB 3.47Å; N106-W110 PolarHBondContact O-N 3.26Å; L107-W110 PolarHBondContact O-N 3.02Å; D108-W110 VanDerWaalsContact C-N 3.35Å; W110-R112 VanDerWaalsContact C-N 3.26Å; W110-R112 PolarHBondContact O-N 3.32Å; W110-I113 PolarHBondContact O-N 2.84Å; W110-M114 HydrophobicContact CD2-CB 3.9Å; W110-M114 HydrophobicContact CD2-CG 3.89Å; W110-M114 HydrophobicContact CE3-CB 4.22Å; W110-M114 HydrophobicContact CE3-CG 3.7Å; W110-M114 HydrophobicContact CG-CB 4.37Å; W110-M114 HydrophobicContact CH2-CB 4.42Å; W110-M114 HydrophobicContact CH2-CE 4.28Å; W110-M114 HydrophobicContact CH2-CG 4.22Å; W110-M114 HydrophobicContact CZ2-CB 4.07Å; W110-M114 HydrophobicContact CZ2-CG 4.36Å; W110-M114 HydrophobicContact CZ3-CB 4.47Å; W110-M114 HydrophobicContact CZ3-CE 4.47Å; W110-M114 HydrophobicContact CZ3-CG 3.88Å; W110-M114 WeakPolarHBondContact O-CA 3.42Å; W110-M114 WeakPolarHBondContact O-CB 3.5Å; W110-M114 PolarHBondContact O-N 2.98Å; W110-V118 HydrophobicContact CH2-CG1 4.45Å; W110-V118 HydrophobicContact CZ2-CB 4.3Å; W110-V118 HydrophobicContact CZ2-CG1 4.03Å; W110-V118 HydrophobicContact CZ2-CG2 3.76Å
111N97.9Very high97.3Very high72 Ų7251.7 Ų51.739%0.38525%0.254SS..Hα-helixtrans-61.1-38.5179.4-70.9-24.7000111.4L107 D108 S115L107-N111 WeakPolarHBondContact O-CB 3.06Å; L107-N111 VanDerWaalsContact O-CG 3.25Å; L107-N111 PolarHBondContact O-N 2.8Å; L107-N111 PolarHBondContact O-ND2 2.83Å; D108-N111 PolarHBondContact O-N 3.38Å; N111-S115 WeakPolarHBondContact O-CB 3.21Å; N111-S115 PolarHBondContact O-N 3.13Å; N111-S115 PolarHBondContact O-OG 3.05Å
112R97.9Very high97.2Very high154 Ų15452.2 Ų52.258%0.58126%0.256SS*.Hα-helixtrans-67-38.9176.6177.317251.177.8-3113.3E76 D108 G109 W110E76-R112 IonicContact OE1-CZ 2.78Å; E76-R112 IonicContact OE1-NH2 2.91Å; E76-R112 PolarHBondContact OE1-NH2 3.45Å; D108-R112 WeakPolarHBondContact O-CB 3.35Å; D108-R112 PolarHBondContact O-N 2.96Å; G109-R112 PolarHBondContact O-N 3.37Å; W110-R112 VanDerWaalsContact C-N 3.26Å; W110-R112 PolarHBondContact O-N 3.32Å
113I97.4Very high97.3Very high36 Ų3648.7 Ų48.719%0.18524%0.243CC..Hα-helixtrans-93.4-34.7-170.8-62.9165.6000112.3C79 G109 W110 R117C79-I113 HydrophobicContact CB-CD1 3.93Å; C79-I113 HydrophobicContact CB-CG2 4.18Å; G109-I113 WeakPolarHBondContact O-CB 3.44Å; G109-I113 WeakPolarHBondContact O-CD1 3.45Å; G109-I113 WeakPolarHBondContact O-CG1 3.24Å; G109-I113 PolarHBondContact O-N 2.78Å; W110-I113 PolarHBondContact O-N 2.84Å; I113-R117 PolarHBondContact O-NE 2.91Å
114M97.4Very high97.1Very high0 Ų047.5 Ų47.50%024%0.237CC..Hα-helixtrans-116.6-11-164.8-60.3-62-66.900114.6W13 E83 M86 W110 D116 R117 V118W13-M114 HydrophobicContact CZ3-CE 4.49Å; E83-M114 HydrophobicContact CB-CE 4.2Å; E83-M114 HydrophobicContact CB-SD 4.12Å; M86-M114 HydrophobicContact SD-CE 4.06Å; W110-M114 HydrophobicContact CD2-CB 3.9Å; W110-M114 HydrophobicContact CD2-CG 3.89Å; W110-M114 HydrophobicContact CE3-CB 4.22Å; W110-M114 HydrophobicContact CE3-CG 3.7Å; W110-M114 HydrophobicContact CG-CB 4.37Å; W110-M114 HydrophobicContact CH2-CB 4.42Å; W110-M114 HydrophobicContact CH2-CE 4.28Å; W110-M114 HydrophobicContact CH2-CG 4.22Å; W110-M114 HydrophobicContact CZ2-CB 4.07Å; W110-M114 HydrophobicContact CZ2-CG 4.36Å; W110-M114 HydrophobicContact CZ3-CB 4.47Å; W110-M114 HydrophobicContact CZ3-CE 4.47Å; W110-M114 HydrophobicContact CZ3-CG 3.88Å; W110-M114 WeakPolarHBondContact O-CA 3.42Å; W110-M114 WeakPolarHBondContact O-CB 3.5Å; W110-M114 PolarHBondContact O-N 2.98Å; M114-D116 PolarHBondContact O-N 3.39Å; M114-D116 VanDerWaalsContact O-N 3.16Å; M114-R117 PolarHBondContact O-N 3.26Å; M114-V118 HydrophobicContact CB-CG1 4.24Å; M114-V118 HydrophobicContact CB-CG2 4.22Å; M114-V118 HydrophobicContact CE-CG1 3.79Å; M114-V118 VanDerWaalsContact O-CG2 3.27Å; M114-V118 WeakPolarHBondContact O-CG2 3.36Å; M114-V118 PolarHBondContact O-N 3.45Å; M114-V118 VanDerWaalsContact O-N 3.1Å
115S95.4Very high97.1Very high73 Ų7342.3 Ų42.351%0.5121%0.214SC..THydrogen-bonded Turntrans-60.8-27.3-172.255.70000114.5N111 R117N111-S115 WeakPolarHBondContact O-CB 3.21Å; N111-S115 PolarHBondContact O-N 3.13Å; N111-S115 PolarHBondContact O-OG 3.05Å; S115-R117 VanDerWaalsContact C-N 3.31Å
116D95.8Very high96.9Very high106 Ų10638.3 Ų38.357%0.56719%0.192SC*.THydrogen-bonded Turntrans-85.6-1.3176.268.6-32.4000113.6L12 M114L12-D116 WeakPolarHBondContact CD2-O 3.45Å; M114-D116 PolarHBondContact O-N 3.39Å; M114-D116 VanDerWaalsContact O-N 3.16Å
117R94.8Very high96.7Very high74 Ų7441 Ų4128%0.27921%0.207SC..THydrogen-bonded Turntrans-119.7-18.6-175-64.4164.9-152.3-135.11.1113.3L12 W13 E83 I113 M114 S115L12-R117 WeakPolarHBondContact CA-O 3.28Å; W13-R117 HydrophobicContact CE3-CB 4.08Å; W13-R117 HydrophobicContact CZ3-CB 4Å; W13-R117 PolarHBondContact N-O 2.78Å; E83-R117 VanDerWaalsContact CD-NH1 3.34Å; E83-R117 WeakPolarHBondContact OE1-CD 3.47Å; E83-R117 IonicContact OE1-CZ 3.03Å; E83-R117 IonicContact OE1-NE 3.91Å; E83-R117 IonicContact OE1-NH1 3.66Å; E83-R117 PolarHBondContact OE1-NH1 3.12Å; E83-R117 IonicContact OE2-NH1 3.59Å; E83-R117 PolarHBondContact OE2-NH1 3.01Å; I113-R117 PolarHBondContact O-NE 2.91Å; M114-R117 PolarHBondContact O-N 3.26Å; S115-R117 VanDerWaalsContact C-N 3.31Å
118V96.8Very high96.5Very high10 Ų1041.1 Ų41.16%0.06121%0.208CC..EExtended strand (participates in β ladder)trans-130.8147.7-170.1-51.50000112.3W13 V15 M86 W110 M114 V120W13-V118 HydrophobicContact CE3-CG1 4.31Å; W13-V118 CarbonylContact O-C 3.58Å; W13-V118 VanDerWaalsContact O-CA 3.28Å; W13-V118 WeakPolarHBondContact O-CA 3.32Å; V15-V118 HydrophobicContact CG2-CB 3.95Å; V15-V118 HydrophobicContact CG2-CG1 4.02Å; M86-V118 HydrophobicContact CE-CG1 4Å; W110-V118 HydrophobicContact CH2-CG1 4.45Å; W110-V118 HydrophobicContact CZ2-CB 4.3Å; W110-V118 HydrophobicContact CZ2-CG1 4.03Å; W110-V118 HydrophobicContact CZ2-CG2 3.76Å; M114-V118 HydrophobicContact CB-CG1 4.24Å; M114-V118 HydrophobicContact CB-CG2 4.22Å; M114-V118 HydrophobicContact CE-CG1 3.79Å; M114-V118 VanDerWaalsContact O-CG2 3.27Å; M114-V118 WeakPolarHBondContact O-CG2 3.36Å; M114-V118 PolarHBondContact O-N 3.45Å; M114-V118 VanDerWaalsContact O-N 3.1Å; V118-V120 HydrophobicContact CG2-CG2 4.15Å
119N96.2Very high96.2Very high73 Ų7340.6 Ų40.639%0.3921%0.208SC..EExtended strand (participates in β ladder)trans-109.7103.1166.917437.4000108.3L12 W13 N14 V15 Q121L12-N119 HydrophobicContact CB-CB 4.24Å; L12-N119 HydrophobicContact CD1-CB 4.44Å; W13-N119 PolarHBondContact O-N 3.18Å; N14-N119 PolarHBondContact OD1-ND2 3.25Å; V15-N119 PolarHBondContact N-O 3Å; N119-Q121 PolarHBondContact O-N 2.92Å
120V97.4Very high95.9Very high44 Ų4441.7 Ų41.727%0.26722%0.216SC..EExtended strand (participates in β ladder)trans-75.3110176.4-179.50000108.9V15 F17 V118 I175V15-V120 HydrophobicContact CG1-CG2 4.48Å; F17-V120 HydrophobicContact CD2-CG1 3.78Å; F17-V120 HydrophobicContact CE2-CB 4.41Å; F17-V120 HydrophobicContact CE2-CG1 3.66Å; F17-V120 HydrophobicContact CE2-CG2 3.77Å; F17-V120 HydrophobicContact CZ-CG2 4.13Å; V118-V120 HydrophobicContact CG2-CG2 4.15Å; V120-I175 HydrophobicContact CG1-CD1 4.39Å
121Q95.9Very high95.6Very high65 Ų6547.6 Ų47.630%0.30424%0.244SC..EExtended strand (participates in β ladder)trans-83.5-49.3-174-63.8177.3-54.900112.6N14 V15 V16 Y39 N119N14-Q121 HydrophobicContact CB-CG 4.33Å; V15-Q121 PolarHBondContact O-N 3.48Å; V16-Q121 HydrophobicContact CG2-CB 4.41Å; Y39-Q121 PolarHBondContact OH-NE2 3.37Å; Y39-Q121 PolarHBondContact OH-OE1 3.22Å; N119-Q121 PolarHBondContact O-N 2.92Å
122F96.9Very high95.4Very high11 Ų1146.3 Ų46.35%0.04824%0.236CC..EExtended strand (participates in β ladder)trans-164.1169.117863.8-90.4000111.4V16 F17 L124 I175 R177 T193 F194V16-F122 WeakPolarHBondContact CA-O 3.39Å; V16-F122 HydrophobicContact CB-CE2 4.45Å; V16-F122 HydrophobicContact CB-CZ 4.31Å; V16-F122 HydrophobicContact CG1-CD2 3.79Å; V16-F122 HydrophobicContact CG1-CE1 4.25Å; V16-F122 HydrophobicContact CG1-CE2 3.39Å; V16-F122 HydrophobicContact CG1-CG 4.38Å; V16-F122 HydrophobicContact CG1-CZ 3.65Å; V16-F122 HydrophobicContact CG2-CD1 3.91Å; V16-F122 HydrophobicContact CG2-CE1 3.46Å; V16-F122 VanDerWaalsContact CG2-CE1 3.46Å; V16-F122 HydrophobicContact CG2-CE2 4.18Å; V16-F122 HydrophobicContact CG2-CG 4.42Å; V16-F122 HydrophobicContact CG2-CZ 3.61Å; F17-F122 PolarHBondContact N-O 2.97Å; F122-L124 HydrophobicContact CE2-CB 4.19Å; F122-I175 CarbonylContact C-O 3.4Å; F122-I175 WeakPolarHBondContact CA-O 3.48Å; F122-I175 VanDerWaalsContact CB-O 3.28Å; F122-I175 WeakPolarHBondContact CB-O 3.27Å; F122-R177 HydrophobicContact CB-CG 4.31Å; F122-R177 HydrophobicContact CD2-CB 4.31Å; F122-R177 HydrophobicContact CD2-CG 4.02Å; F122-R177 HydrophobicContact CG-CG 4.32Å; F122-T193 HydrophobicContact CD2-CG2 4.32Å; F122-T193 HydrophobicContact CE2-CG2 3.64Å; F122-T193 HydrophobicContact CZ-CG2 4.07Å; F122-F194 HydrophobicContact CE1-CD1 4.4Å; F122-F194 HydrophobicContact CE1-CE1 4.45Å; F122-F194 HydrophobicContact CE2-CE2 4.45Å; F122-F194 HydrophobicContact CE2-CZ 4.33Å; F122-F194 AromaticContact CZ-CD1 3.87Å; F122-F194 HydrophobicContact CZ-CD1 3.87Å; F122-F194 HydrophobicContact CZ-CD2 4.23Å; F122-F194 AromaticContact CZ-CE1 3.72Å; F122-F194 HydrophobicContact CZ-CE1 3.72Å; F122-F194 HydrophobicContact CZ-CE2 4.08Å; F122-F194 HydrophobicContact CZ-CG 4.11Å; F122-F194 AromaticContact CZ-CZ 3.81Å; F122-F194 HydrophobicContact CZ-CZ 3.81Å
123V97.7Very high95.1Very high0 Ų039 Ų390%021%0.209CC..EExtended strand (participates in β ladder)trans-110.2116.6171.9-177.90000108.9F17 L19 F125 F170 I175 V176 R177F17-V123 HydrophobicContact CB-CG1 4.29Å; F17-V123 HydrophobicContact CB-CG2 4.16Å; F17-V123 HydrophobicContact CD2-CG2 4.2Å; F17-V123 CarbonylContact O-C 3.55Å; F17-V123 WeakPolarHBondContact O-CA 3.3Å; L19-V123 HydrophobicContact CB-CG1 4.4Å; L19-V123 HydrophobicContact CD1-CG1 3.98Å; L19-V123 HydrophobicContact CG-CG1 4.11Å; V123-F125 PolarHBondContact O-N 2.96Å; V123-F170 HydrophobicContact CG1-CD2 4.45Å; V123-F170 HydrophobicContact CG2-CB 3.95Å; V123-F170 HydrophobicContact CG2-CD1 3.99Å; V123-F170 HydrophobicContact CG2-CD2 3.66Å; V123-F170 HydrophobicContact CG2-CE1 4.31Å; V123-F170 HydrophobicContact CG2-CE2 3.99Å; V123-F170 HydrophobicContact CG2-CG 3.63Å; V123-F170 HydrophobicContact CG2-CZ 4.29Å; V123-I175 HydrophobicContact CG2-CD1 4.17Å; V123-I175 HydrophobicContact CG2-CG1 4.29Å; V123-I175 PolarHBondContact N-O 3.26Å; V123-V176 HydrophobicContact CB-CG2 4.1Å; V123-V176 CarbonylContact O-C 3.43Å; V123-V176 WeakPolarHBondContact O-CA 3.47Å; V123-R177 PolarHBondContact O-N 3.19Å
124L95.4Very high94.9Very high1 Ų139.2 Ų39.21%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-81.6110.5168-179.770.1000108.8V16 F17 V18 L19 I33 F122 R177 I179 T193V16-L124 HydrophobicContact CG1-CB 4.44Å; F17-L124 PolarHBondContact O-N 3.02Å; V18-L124 WeakPolarHBondContact CA-O 3.5Å; V18-L124 HydrophobicContact CG1-CD2 4.22Å; V18-L124 HydrophobicContact CG2-CB 4.1Å; V18-L124 HydrophobicContact CG2-CD2 4.1Å; L19-L124 PolarHBondContact N-O 3.41Å; I33-L124 HydrophobicContact CD1-CD2 3.77Å; F122-L124 HydrophobicContact CE2-CB 4.19Å; L124-R177 WeakPolarHBondContact CA-O 3.37Å; L124-I179 HydrophobicContact CD1-CD1 3.69Å; L124-I179 HydrophobicContact CD1-CG1 3.82Å; L124-I179 HydrophobicContact CD1-CG2 4.06Å; L124-I179 HydrophobicContact CD2-CD1 4.06Å; L124-I179 HydrophobicContact CG-CD1 3.98Å; L124-I179 HydrophobicContact CG-CG1 4.32Å; L124-T193 HydrophobicContact CD1-CG2 3.93Å
125F96.1Very high94.6Very high3 Ų346.6 Ų46.61%0.01324%0.238CC..EExtended strand (participates in β ladder)trans-97115.6175.8178.3-145.9000111.3L19 V123 D127 Y159 I167 V176 R177 R178 I179L19-F125 WeakPolarHBondContact O-CD2 3.46Å; V123-F125 PolarHBondContact O-N 2.96Å; F125-D127 HydrophobicContact CE1-CB 4.12Å; F125-D127 HydrophobicContact CZ-CB 4.15Å; F125-D127 PolarHBondContact O-N 3.47Å; F125-Y159 WeakPolarHBondContact CE2-OH 3.19Å; F125-Y159 WeakPolarHBondContact CZ-OH 3.42Å; F125-I167 HydrophobicContact CD1-CG2 3.85Å; F125-I167 HydrophobicContact CD2-CD1 3.7Å; F125-I167 HydrophobicContact CD2-CG1 4.39Å; F125-I167 HydrophobicContact CE1-CD1 4.43Å; F125-I167 HydrophobicContact CE1-CG2 4.09Å; F125-I167 HydrophobicContact CE2-CD1 3.5Å; F125-I167 VanDerWaalsContact CE2-CD1 3.5Å; F125-I167 HydrophobicContact CG-CD1 4.34Å; F125-I167 HydrophobicContact CG-CG2 4.12Å; F125-I167 HydrophobicContact CZ-CD1 3.92Å; F125-V176 HydrophobicContact CB-CG1 3.89Å; F125-R177 PolarHBondContact N-O 3.43Å; F125-R178 HydrophobicContact CD1-CG 4.12Å; F125-R178 VanDerWaalsContact CD1-CZ 3.43Å; F125-R178 VanDerWaalsContact CE1-NH2 3.34Å; F125-I179 VanDerWaalsContact O-CG1 3.29Å; F125-I179 WeakPolarHBondContact O-CG1 3.49Å; F125-I179 PolarHBondContact O-N 2.91Å
126M94.5Very high94.4Very high1 Ų145 Ų451%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-89.793.4173.4-73.5-170.56500111.4V18 L19 G20 P21 K26 Q29 I179 A181 L186V18-M126 HydrophobicContact CG1-CG 4.44Å; V18-M126 HydrophobicContact CG1-SD 4.25Å; L19-M126 PolarHBondContact O-N 3.09Å; G20-M126 WeakPolarHBondContact CA-O 3.35Å; P21-M126 VanDerWaalsContact CD-O 3.23Å; P21-M126 WeakPolarHBondContact CD-O 3.48Å; K26-M126 VanDerWaalsContact CA-SD 3.58Å; K26-M126 HydrophobicContact CB-SD 4.2Å; K26-M126 HydrophobicContact CG-CB 4.46Å; K26-M126 HydrophobicContact CG-SD 3.85Å; Q29-M126 HydrophobicContact CB-CE 4.04Å; Q29-M126 HydrophobicContact CB-SD 4.09Å; Q29-M126 HydrophobicContact CG-CE 3.48Å; Q29-M126 VanDerWaalsContact CG-CE 3.48Å; Q29-M126 HydrophobicContact CG-SD 4.21Å; M126-I179 HydrophobicContact CG-CD1 3.46Å; M126-I179 VanDerWaalsContact CG-CD1 3.46Å; M126-I179 HydrophobicContact CG-CG1 3.9Å; M126-I179 HydrophobicContact SD-CD1 4.31Å; M126-A181 HydrophobicContact CB-CB 4Å; M126-A181 HydrophobicContact CE-CB 3.52Å; M126-A181 HydrophobicContact CG-CB 4.47Å; M126-L186 HydrophobicContact CE-CD1 4.4Å
127D93.3Very high94.2Very high60 Ų6040 Ų4032%0.32119%0.194SC..EExtended strand (participates in β ladder)trans-81.5126-179.2-167.34.7000111.1F125 R178 I179 A181F125-D127 HydrophobicContact CE1-CB 4.12Å; F125-D127 HydrophobicContact CZ-CB 4.15Å; F125-D127 PolarHBondContact O-N 3.47Å; D127-R178 HydrophobicContact CB-CG 4.28Å; D127-R178 IonicContact OD2-CZ 3.94Å; D127-R178 IonicContact OD2-NH1 2.76Å; D127-R178 PolarHBondContact OD2-NH1 2.92Å; D127-I179 PolarHBondContact N-O 3.37Å; D127-A181 WeakPolarHBondContact O-CA 3.31Å; D127-A181 WeakPolarHBondContact O-CB 3.49Å; D127-A181 PolarHBondContact O-N 2.94Å
128C93.8Very high93.9Very high6 Ų640.3 Ų40.34%0.04120%0.2CC..  trans-154.9133.6-177.4-173.50000109.9P21 C24 C133 A181P21-C128 HydrophobicContact CG-CB 4.27Å; P21-C128 VanDerWaalsContact CG-O 3.31Å; P21-C128 WeakPolarHBondContact CG-O 3.34Å; C24-C128 HydrophobicContact CB-CB 3.59Å; C128-C133 VanDerWaalsContact SG-SG 3.65Å; C128-A181 HydrophobicContact CB-CB 4.15Å
129P93.5Very high93.5Very high60 Ų6045.9 Ų45.939%0.3923%0.23SC..  trans-55140.1172.8-25.933.8000112.7E131 I132 C133P129-E131 WeakPolarHBondContact CB-OE2 3.33Å; P129-E131 PolarHBondContact O-N 2.89Å; P129-I132 HydrophobicContact CB-CD1 4.38Å; P129-I132 HydrophobicContact CB-CG1 4.4Å; P129-I132 HydrophobicContact CG-CD1 4.14Å; P129-I132 PolarHBondContact O-N 2.66Å; P129-C133 PolarHBondContact O-N 3.23Å; P129-C133 VanDerWaalsContact O-N 3.12Å
130S91.9Very high92.9Very high25 Ų2545.2 Ų45.218%0.17522%0.222CC..Hα-helixtrans-58.3-35.2-178.3-66.80000112.3I132 C133 I134S130-I132 PolarHBondContact O-N 2.59Å; S130-C133 CarbonylContact O-C 3.59Å; S130-C133 VanDerWaalsContact O-CB 3.27Å; S130-C133 WeakPolarHBondContact O-CB 3.27Å; S130-C133 PolarHBondContact O-N 2.9Å; S130-I134 WeakPolarHBondContact O-CB 3.45Å; S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.38Å; S130-I134 PolarHBondContact O-N 3.36Å
131E92.1Very high91.7Very high126 Ų12646.9 Ų46.959%0.58925%0.248SC*.Hα-helixtrans-67-38-178-55.272.5-155.900111.4P129 R135P129-E131 WeakPolarHBondContact CB-OE2 3.33Å; P129-E131 PolarHBondContact O-N 2.89Å; E131-R135 WeakPolarHBondContact O-CB 3.42Å; E131-R135 PolarHBondContact O-N 3.46Å
132I92.6Very high90.5Very high45 Ų4550.9 Ų50.923%0.23127%0.267CS..Hα-helixtrans-68.9-43.3174.1-62.9178.6000109.5P129 S130 R136 A182P129-I132 HydrophobicContact CB-CD1 4.38Å; P129-I132 HydrophobicContact CB-CG1 4.4Å; P129-I132 HydrophobicContact CG-CD1 4.14Å; P129-I132 PolarHBondContact O-N 2.66Å; S130-I132 PolarHBondContact O-N 2.59Å; I132-R136 HydrophobicContact CG2-CG 4.46Å; I132-R136 WeakPolarHBondContact O-CB 3.48Å; I132-R136 VanDerWaalsContact O-CG 3.28Å; I132-R136 WeakPolarHBondContact O-CG 3.45Å; I132-R136 PolarHBondContact O-N 3.45Å; I132-A182 HydrophobicContact CD1-CB 3.8Å
133C93.3Very high89.3Confident0 Ų054 Ų540%030%0.302CS..Hα-helixtrans-59.1-46.7177.2-82.30000112.9P22 C24 C128 P129 S130 R136 C137P22-C133 WeakPolarHBondContact O-CB 3.42Å; P22-C133 PolarHBondContact O-SG 2.87Å; C24-C133 VanDerWaalsContact CA-SG 3.55Å; C24-C133 PolarHBondContact N-SG 3.17Å; C24-C133 VanDerWaalsContact N-SG 3.4Å; C128-C133 VanDerWaalsContact SG-SG 3.65Å; P129-C133 PolarHBondContact O-N 3.23Å; P129-C133 VanDerWaalsContact O-N 3.12Å; S130-C133 CarbonylContact O-C 3.59Å; S130-C133 VanDerWaalsContact O-CB 3.27Å; S130-C133 WeakPolarHBondContact O-CB 3.27Å; S130-C133 PolarHBondContact O-N 2.9Å; C133-R136 PolarHBondContact O-N 2.75Å; C133-C137 PolarHBondContact O-N 2.9Å
134I91.9Very high88.7Confident40 Ų4057 Ų5721%0.20531%0.313CS..Hα-helixtrans-60.9-52.4-179.6-73.2163.6000109.6S130 R136 C137 L138 L152 M153 I156S130-I134 WeakPolarHBondContact O-CB 3.45Å; S130-I134 VanDerWaalsContact O-CG1 3.24Å; S130-I134 WeakPolarHBondContact O-CG1 3.38Å; S130-I134 PolarHBondContact O-N 3.36Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 3.17Å; I134-C137 PolarHBondContact O-N 3Å; I134-L138 HydrophobicContact CG2-CD1 3.92Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 PolarHBondContact O-N 3.44Å; I134-L152 HydrophobicContact CB-CD2 4.17Å; I134-L152 HydrophobicContact CG1-CD2 4.17Å; I134-L152 HydrophobicContact CG1-CG 4.22Å; I134-L152 HydrophobicContact CG2-CD2 3.96Å; I134-M153 HydrophobicContact CD1-SD 4.1Å; I134-I156 HydrophobicContact CG1-CG1 4.35Å
135R91.5Very high88.2Confident156 Ų15661.5 Ų61.559%0.58934%0.341SS*.Hα-helixtrans-55.4-42.1177.1-165.5-170.2-36.5173.86.8112.4E131 N139E131-R135 WeakPolarHBondContact O-CB 3.42Å; E131-R135 PolarHBondContact O-N 3.46Å; R135-N139 WeakPolarHBondContact O-CB 3.37Å; R135-N139 PolarHBondContact O-N 3.18Å; R135-N139 VanDerWaalsContact O-N 3.13Å; R135-N139 PolarHBondContact O-ND2 2.84Å
136R91.7Very high87.7Confident39 Ų3961.7 Ų61.715%0.14734%0.342CS..Hα-helixtrans-66.5-35.3177.8-77.1173.9176.3167.63.8113G23 C24 I132 C133 I134 R140 A181 A182G23-R136 VanDerWaalsContact O-CD 3.24Å; G23-R136 WeakPolarHBondContact O-CD 3.16Å; C24-R136 PolarHBondContact O-NH1 3.18Å; I132-R136 HydrophobicContact CG2-CG 4.46Å; I132-R136 WeakPolarHBondContact O-CB 3.48Å; I132-R136 VanDerWaalsContact O-CG 3.28Å; I132-R136 WeakPolarHBondContact O-CG 3.45Å; I132-R136 PolarHBondContact O-N 3.45Å; C133-R136 PolarHBondContact O-N 2.75Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 3.17Å; R136-R140 PolarHBondContact O-N 3.47Å; R136-A181 PolarHBondContact NH1-O 3.15Å; R136-A181 PolarHBondContact NH2-O 3.26Å; R136-A182 PolarHBondContact NH2-O 3.43Å
137C90.3Very high87.4Confident1 Ų162.8 Ų62.81%0.00735%0.348CS..Hα-helixtrans-70.8-49.6177.3-96.80000111.3G23 C133 I134 N139 R140 L152G23-C137 VanDerWaalsContact CA-SG 3.55Å; C133-C137 PolarHBondContact O-N 2.9Å; I134-C137 PolarHBondContact O-N 3Å; C137-N139 PolarHBondContact O-N 3.42Å; C137-R140 VanDerWaalsContact O-CB 3.3Å; C137-R140 WeakPolarHBondContact O-CB 3.11Å; C137-R140 PolarHBondContact O-N 2.8Å; C137-L152 HydrophobicContact CB-CD1 3.78Å; C137-L152 HydrophobicContact CB-CD2 3.54Å; C137-L152 HydrophobicContact CB-CG 4.32Å
138L89.6Confident87.1Confident81 Ų8162.9 Ų62.942%0.42435%0.348SS..Hα-helixtrans-61-33.2179.3-64.1176.5000112.6I134 L152I134-L138 HydrophobicContact CG2-CD1 3.92Å; I134-L138 HydrophobicContact CG2-CG 4.41Å; I134-L138 PolarHBondContact O-N 3.44Å; L138-L152 HydrophobicContact CD2-CD2 4.23Å; L138-L152 HydrophobicContact CG-CD2 4.15Å
139N88.3Confident86.9Confident126 Ų12669 Ų6967%0.67438%0.377SS*.THydrogen-bonded Turntrans-89.57.1177.9-69-63.8000114.4R135 C137 G141R135-N139 WeakPolarHBondContact O-CB 3.37Å; R135-N139 PolarHBondContact O-N 3.18Å; R135-N139 VanDerWaalsContact O-N 3.13Å; R135-N139 PolarHBondContact O-ND2 2.84Å; C137-N139 PolarHBondContact O-N 3.42Å; N139-G141 PolarHBondContact O-N 3.11Å
140R83.1Confident86.8Confident60 Ų6072.1 Ų72.123%0.22639%0.386CS..  trans-66.7-38-174.6-175.3178.7-74.5123.76.3112.2R136 C137 Q142 D147R136-R140 PolarHBondContact O-N 3.47Å; C137-R140 VanDerWaalsContact O-CB 3.3Å; C137-R140 WeakPolarHBondContact O-CB 3.11Å; C137-R140 PolarHBondContact O-N 2.8Å; R140-Q142 HydrophobicContact CG-CB 3.83Å; R140-Q142 HydrophobicContact CG-CG 3.78Å; R140-Q142 WeakPolarHBondContact O-CG 3.36Å; R140-Q142 PolarHBondContact O-N 3.38Å; R140-Q142 VanDerWaalsContact O-N 3.09Å; R140-D147 WeakPolarHBondContact CD-OD2 3.38Å; R140-D147 IonicContact CZ-OD2 2.6Å; R140-D147 VanDerWaalsContact NH1-CG 3.29Å; R140-D147 IonicContact NH1-OD1 3.76Å; R140-D147 PolarHBondContact NH1-OD1 2.89Å; R140-D147 IonicContact NH1-OD2 3.37Å; R140-D147 PolarHBondContact NH1-OD2 3.44Å
141G72.6Confident86.8Confident79 Ų7971.3 Ų71.381%0.81438%0.38SS*.  trans61.514.6178.900000115.7N139N139-G141 PolarHBondContact O-N 3.11Å
142Q70.1Confident86.8Confident149 Ų14965.3 Ų65.370%0.69635%0.352SS*.SBendtrans-99.116-173.7-70178.1-3.600114.4R140 R144R140-Q142 HydrophobicContact CG-CB 3.83Å; R140-Q142 HydrophobicContact CG-CG 3.78Å; R140-Q142 WeakPolarHBondContact O-CG 3.36Å; R140-Q142 PolarHBondContact O-N 3.38Å; R140-Q142 VanDerWaalsContact O-N 3.09Å; Q142-R144 PolarHBondContact O-N 3.41Å
143G72.7Confident86.9Confident77 Ų7768 Ų6879%0.79437%0.365SS*.  trans70.825.9171.500000116
144R85Confident87Confident63 Ų6370.3 Ų70.324%0.23838%0.375CS..  trans-73.4128.4167.4-71-171.2176.3164.1-1.6109.7Q142 D146 D147Q142-R144 PolarHBondContact O-N 3.41Å; R144-D146 WeakPolarHBondContact CB-OD1 3.49Å; R144-D146 PolarHBondContact O-N 3.2Å; R144-D147 HydrophobicContact CB-CB 4.04Å; R144-D147 WeakPolarHBondContact CB-OD2 3.39Å; R144-D147 WeakPolarHBondContact CD-OD2 3.41Å; R144-D147 PolarHBondContact O-N 2.96Å
145T84.9Confident87.1Confident95 Ų9570.2 Ų70.258%0.58337%0.372SS*.THydrogen-bonded Turntrans-61.2-28.4176.9500000112.3N148T145-N148 PolarHBondContact O-ND2 2.73Å; T145-N148 VanDerWaalsContact O-ND2 3.14Å
146D85.8Confident87.3Confident7 Ų763.1 Ų63.14%0.03735%0.346CS..THydrogen-bonded Turntrans-95.112.2-179.774-48.4000115I67 R144 N148 R155I67-D146 HydrophobicContact CG2-CB 3.91Å; R144-D146 WeakPolarHBondContact CB-OD1 3.49Å; R144-D146 PolarHBondContact O-N 3.2Å; D146-N148 VanDerWaalsContact C-N 3.28Å; D146-R155 PolarHBondContact O-NH1 2.92Å; D146-R155 IonicContact OD2-CZ 2.66Å; D146-R155 IonicContact OD2-NE 3.79Å; D146-R155 IonicContact OD2-NH1 2.73Å; D146-R155 PolarHBondContact OD2-NH1 3.15Å; D146-R155 IonicContact OD2-NH2 2.59Å
147D86.6Confident87.6Confident23 Ų2367 Ų6712%0.12337%0.366CS..  trans-92.929.8174.2-82.4-21.7000111.9R140 R144 R155R140-D147 WeakPolarHBondContact CD-OD2 3.38Å; R140-D147 IonicContact CZ-OD2 2.6Å; R140-D147 VanDerWaalsContact NH1-CG 3.29Å; R140-D147 IonicContact NH1-OD1 3.76Å; R140-D147 PolarHBondContact NH1-OD1 2.89Å; R140-D147 IonicContact NH1-OD2 3.37Å; R140-D147 PolarHBondContact NH1-OD2 3.44Å; R144-D147 HydrophobicContact CB-CB 4.04Å; R144-D147 WeakPolarHBondContact CB-OD2 3.39Å; R144-D147 WeakPolarHBondContact CD-OD2 3.41Å; R144-D147 PolarHBondContact O-N 2.96Å; D147-R155 IonicContact OD1-NH1 3.05Å; D147-R155 PolarHBondContact OD1-NH1 2.75Å
148N88.8Confident87.9Confident62 Ų6268 Ų6833%0.33237%0.371SS..SBendtrans-94.2160.7168.369.775.8000111.3T145 D146 E150 S151 L152T145-N148 PolarHBondContact O-ND2 2.73Å; T145-N148 VanDerWaalsContact O-ND2 3.14Å; D146-N148 VanDerWaalsContact C-N 3.28Å; N148-E150 PolarHBondContact O-N 3.5Å; N148-E150 WeakPolarHBondContact OD1-CB 3.15Å; N148-E150 PolarHBondContact OD1-N 3.3Å; N148-S151 PolarHBondContact ND2-OG 3.31Å; N148-S151 PolarHBondContact OD1-N 3.42Å; N148-S151 PolarHBondContact OD1-OG 3.44Å; N148-L152 WeakPolarHBondContact O-CB 3.16Å; N148-L152 PolarHBondContact O-N 3.23Å
149E89.4Confident88.2Confident136 Ų13665 Ų6564%0.63636%0.355SS*.Hα-helixtrans-59.3-44.1-175-173169.5-168.700112.9L152 M153E149-L152 PolarHBondContact O-N 2.99Å; E149-M153 WeakPolarHBondContact O-CG 3.46Å; E149-M153 PolarHBondContact O-N 3.05Å
150E91.6Very high88.6Confident125 Ų12563.6 Ų63.658%0.58434%0.344SS*.Hα-helixtrans-61.1-55.5-179.6-171.3-165.2151.400111.8N148 L152 M153 K154N148-E150 PolarHBondContact O-N 3.5Å; N148-E150 WeakPolarHBondContact OD1-CB 3.15Å; N148-E150 PolarHBondContact OD1-N 3.3Å; E150-L152 PolarHBondContact O-N 3.19Å; E150-M153 PolarHBondContact O-N 2.75Å; E150-K154 WeakPolarHBondContact O-CG 3.37Å; E150-K154 PolarHBondContact O-N 2.86Å; E150-K154 VanDerWaalsContact O-N 3.11Å; E150-K154 VanDerWaalsContact OE1-CE 3.27Å; E150-K154 WeakPolarHBondContact OE1-CE 3.4Å; E150-K154 IonicContact OE1-NZ 3.38Å; E150-K154 PolarHBondContact OE1-NZ 3.33Å
151S92.1Very high89.3Confident7 Ų766.7 Ų66.75%0.04936%0.363CS..Hα-helixtrans-60.4-35.9178.2-64.80000111.4R68 N148 K154 R155R68-S151 PolarHBondContact O-OG 3.27Å; N148-S151 PolarHBondContact ND2-OG 3.31Å; N148-S151 PolarHBondContact OD1-N 3.42Å; N148-S151 PolarHBondContact OD1-OG 3.44Å; S151-K154 PolarHBondContact O-N 3.03Å; S151-R155 WeakPolarHBondContact O-CD 3.25Å; S151-R155 WeakPolarHBondContact O-CG 3.42Å; S151-R155 PolarHBondContact O-N 3.18Å
152L91.8Very high90.5Very high1 Ų166.2 Ų66.21%0.00534%0.341CS..Hα-helixtrans-68.3-39.4179.4-174.655.9000112.6P22 I134 C137 L138 N148 E149 E150 R155 I156P22-L152 HydrophobicContact CB-CD1 4.36Å; P22-L152 HydrophobicContact CG-CD1 4.47Å; I134-L152 HydrophobicContact CB-CD2 4.17Å; I134-L152 HydrophobicContact CG1-CD2 4.17Å; I134-L152 HydrophobicContact CG1-CG 4.22Å; I134-L152 HydrophobicContact CG2-CD2 3.96Å; C137-L152 HydrophobicContact CB-CD1 3.78Å; C137-L152 HydrophobicContact CB-CD2 3.54Å; C137-L152 HydrophobicContact CB-CG 4.32Å; L138-L152 HydrophobicContact CD2-CD2 4.23Å; L138-L152 HydrophobicContact CG-CD2 4.15Å; N148-L152 WeakPolarHBondContact O-CB 3.16Å; N148-L152 PolarHBondContact O-N 3.23Å; E149-L152 PolarHBondContact O-N 2.99Å; E150-L152 PolarHBondContact O-N 3.19Å; L152-R155 PolarHBondContact O-N 3.35Å; L152-I156 WeakPolarHBondContact O-CG1 3.31Å; L152-I156 PolarHBondContact O-N 3.01Å
153M93.5Very high91.8Very high101 Ų10159.4 Ų59.450%0.49831%0.31SS..Hα-helixtrans-63.4-44.6173.4-71.2-57.1-6900111.4I134 E149 E150 R155 I156 Q157I134-M153 HydrophobicContact CD1-SD 4.1Å; E149-M153 WeakPolarHBondContact O-CG 3.46Å; E149-M153 PolarHBondContact O-N 3.05Å; E150-M153 PolarHBondContact O-N 2.75Å; M153-R155 VanDerWaalsContact C-N 3.29Å; M153-R155 PolarHBondContact O-N 3.4Å; M153-I156 PolarHBondContact O-N 2.59Å; M153-Q157 PolarHBondContact O-N 2.81Å
154K95.4Very high93Very high48 Ų4858.4 Ų58.421%0.20929%0.286CS..Hα-helixtrans-56.2-43.4173.1-66.4176.8-174.3172.30111.4E69 E150 S151 Q157 T158E69-K154 WeakPolarHBondContact O-CB 3.23Å; E69-K154 WeakPolarHBondContact O-CD 3.48Å; E69-K154 IonicContact OE1-NZ 3.56Å; E69-K154 IonicContact OE2-NZ 3.05Å; E69-K154 PolarHBondContact OE2-NZ 3.35Å; E150-K154 WeakPolarHBondContact O-CG 3.37Å; E150-K154 PolarHBondContact O-N 2.86Å; E150-K154 VanDerWaalsContact O-N 3.11Å; E150-K154 VanDerWaalsContact OE1-CE 3.27Å; E150-K154 WeakPolarHBondContact OE1-CE 3.4Å; E150-K154 IonicContact OE1-NZ 3.38Å; E150-K154 PolarHBondContact OE1-NZ 3.33Å; S151-K154 PolarHBondContact O-N 3.03Å; K154-Q157 PolarHBondContact O-N 3.22Å; K154-T158 PolarHBondContact O-N 3.32Å; K154-T158 PolarHBondContact O-OG1 3.11Å
155R95.5Very high93.6Very high39 Ų3958.4 Ų58.415%0.14729%0.294CS..Hα-helixtrans-67.2-38178.3-69.1163.762.1178.316.7113.4P22 D146 D147 S151 L152 M153 Y159P22-R155 HydrophobicContact CB-CB 4.3Å; P22-R155 HydrophobicContact CG-CB 4.03Å; D146-R155 PolarHBondContact O-NH1 2.92Å; D146-R155 IonicContact OD2-CZ 2.66Å; D146-R155 IonicContact OD2-NE 3.79Å; D146-R155 IonicContact OD2-NH1 2.73Å; D146-R155 PolarHBondContact OD2-NH1 3.15Å; D146-R155 IonicContact OD2-NH2 2.59Å; D147-R155 IonicContact OD1-NH1 3.05Å; D147-R155 PolarHBondContact OD1-NH1 2.75Å; S151-R155 WeakPolarHBondContact O-CD 3.25Å; S151-R155 WeakPolarHBondContact O-CG 3.42Å; S151-R155 PolarHBondContact O-N 3.18Å; L152-R155 PolarHBondContact O-N 3.35Å; M153-R155 VanDerWaalsContact C-N 3.29Å; M153-R155 PolarHBondContact O-N 3.4Å; R155-Y159 WeakPolarHBondContact O-CB 3.39Å; R155-Y159 PolarHBondContact O-N 3.34Å
156I95.6Very high94.2Very high7 Ų754.1 Ų54.14%0.03627%0.268CS..Hα-helixtrans-65.1-43.8174.7-71.6-74.2000109.9P22 I134 L152 M153 Y159 Q160P22-I156 HydrophobicContact CG-CD1 3.54Å; P22-I156 HydrophobicContact CG-CG1 3.93Å; I134-I156 HydrophobicContact CG1-CG1 4.35Å; L152-I156 WeakPolarHBondContact O-CG1 3.31Å; L152-I156 PolarHBondContact O-N 3.01Å; M153-I156 PolarHBondContact O-N 2.59Å; I156-Y159 WeakPolarHBondContact O-CB 3.48Å; I156-Y159 PolarHBondContact O-N 3.08Å; I156-Q160 HydrophobicContact CG2-CG 4.46Å; I156-Q160 WeakPolarHBondContact O-CG 3.41Å; I156-Q160 PolarHBondContact O-N 3.41Å
157Q96.3Very high94.8Very high121 Ų12153.9 Ų53.957%0.56527%0.266SS*.Hα-helixtrans-60.9-48.1175.2-172.8-179.114.600111.4M153 K154 Y159 Q160 M161M153-Q157 PolarHBondContact O-N 2.81Å; K154-Q157 PolarHBondContact O-N 3.22Å; Q157-Y159 VanDerWaalsContact C-N 3.27Å; Q157-Y159 PolarHBondContact O-N 2.72Å; Q157-Q160 PolarHBondContact O-N 2.89Å; Q157-M161 HydrophobicContact CG-CG 4.17Å; Q157-M161 WeakPolarHBondContact O-CB 3.33Å; Q157-M161 WeakPolarHBondContact O-CG 3.38Å; Q157-M161 PolarHBondContact O-N 2.87Å
158T96.8Very high95.3Very high21 Ų2159.6 Ų59.613%0.12929%0.29CS..Hα-helixtrans-56-43.4174.6-67.50000111.4G70 I72 K154 N162 T163G70-T158 PolarHBondContact O-OG1 3.42Å; I72-T158 HydrophobicContact CD1-CG2 3.67Å; I72-T158 HydrophobicContact CG1-CG2 3.93Å; K154-T158 PolarHBondContact O-N 3.32Å; K154-T158 PolarHBondContact O-OG1 3.11Å; T158-N162 WeakPolarHBondContact O-CA 3.35Å; T158-N162 VanDerWaalsContact O-CB 3.27Å; T158-N162 WeakPolarHBondContact O-CB 3.34Å; T158-N162 PolarHBondContact O-N 3.28Å; T158-N162 PolarHBondContact O-ND2 2.92Å; T158-T163 PolarHBondContact O-N 3.34Å
159Y96.9Very high95.7Very high18 Ų1860.2 Ų60.27%0.07129%0.291CS..Iπ-helixtrans-61.4-48.7176.2164.8-100.3000112.2P21 F125 R155 I156 Q157 T163 L164 I167P21-Y159 HydrophobicContact CB-CD1 3.9Å; P21-Y159 HydrophobicContact CB-CD2 4.37Å; P21-Y159 HydrophobicContact CB-CE1 3.71Å; P21-Y159 HydrophobicContact CB-CE2 4.21Å; P21-Y159 HydrophobicContact CB-CG 4.21Å; P21-Y159 HydrophobicContact CG-CE1 4.13Å; F125-Y159 WeakPolarHBondContact CE2-OH 3.19Å; F125-Y159 WeakPolarHBondContact CZ-OH 3.42Å; R155-Y159 WeakPolarHBondContact O-CB 3.39Å; R155-Y159 PolarHBondContact O-N 3.34Å; I156-Y159 WeakPolarHBondContact O-CB 3.48Å; I156-Y159 PolarHBondContact O-N 3.08Å; Q157-Y159 VanDerWaalsContact C-N 3.27Å; Q157-Y159 PolarHBondContact O-N 2.72Å; Y159-T163 HydrophobicContact CD2-CG2 3.84Å; Y159-T163 HydrophobicContact CE2-CG2 4.16Å; Y159-T163 CarbonylContact O-C 3.59Å; Y159-T163 WeakPolarHBondContact O-CA 3.38Å; Y159-T163 WeakPolarHBondContact O-CB 3.39Å; Y159-T163 PolarHBondContact O-N 3.16Å; Y159-L164 HydrophobicContact CE1-CD1 4.3Å; Y159-L164 HydrophobicContact CE1-CD2 4.01Å; Y159-L164 HydrophobicContact CE1-CG 3.99Å; Y159-L164 HydrophobicContact CE2-CD2 4.21Å; Y159-L164 HydrophobicContact CE2-CG 4.44Å; Y159-L164 PolarHBondContact O-N 3.42Å; Y159-L164 VanDerWaalsContact OH-CD2 3.29Å; Y159-L164 WeakPolarHBondContact OH-CD2 3.5Å; Y159-I167 HydrophobicContact CE2-CD1 4.16Å
160Q96.6Very high96.2Very high96 Ų9654.1 Ų54.145%0.44926%0.262SS..Iπ-helixtrans-63.6-45.9-178.8-73.7174.3-20.500112I156 Q157I156-Q160 HydrophobicContact CG2-CG 4.46Å; I156-Q160 WeakPolarHBondContact O-CG 3.41Å; I156-Q160 PolarHBondContact O-N 3.41Å; Q157-Q160 PolarHBondContact O-N 2.89Å
161M97.5Very high96.5Very high126 Ų12651.5 Ų51.562%0.62125%0.25SS*.Iπ-helixtrans-78.9-36.9-174-65.1-57.8-65.200112.8Q157 P165Q157-M161 HydrophobicContact CG-CG 4.17Å; Q157-M161 WeakPolarHBondContact O-CB 3.33Å; Q157-M161 WeakPolarHBondContact O-CG 3.38Å; Q157-M161 PolarHBondContact O-N 2.87Å; M161-P165 WeakPolarHBondContact O-CG 3.48Å
162N97.7Very high96.7Very high69 Ų6955.5 Ų55.537%0.36928%0.278SS..Iπ-helixtrans-116.5-36.8-168.6-58.7-70.2000113.8R102 N103 T158 I166R102-N162 CarbonylContact O-C 3.22Å; N103-N162 HydrophobicContact CB-CB 3.8Å; T158-N162 WeakPolarHBondContact O-CA 3.35Å; T158-N162 VanDerWaalsContact O-CB 3.27Å; T158-N162 WeakPolarHBondContact O-CB 3.34Å; T158-N162 PolarHBondContact O-N 3.28Å; T158-N162 PolarHBondContact O-ND2 2.92Å; N162-I166 WeakPolarHBondContact O-CG1 3.43Å
163T97.3Very high97Very high5 Ų560.1 Ų60.13%0.03130%0.3CS..Iπ-helixtrans-84.7-39.4-176.5-52.60000112.7R102 T158 Y159 I166 I167R102-T163 HydrophobicContact CG-CG2 4.47Å; R102-T163 WeakPolarHBondContact O-CA 3.33Å; R102-T163 WeakPolarHBondContact O-CB 3.5Å; R102-T163 PolarHBondContact O-N 2.98Å; R102-T163 VanDerWaalsContact O-N 3.17Å; R102-T163 PolarHBondContact O-OG1 3.39Å; T158-T163 PolarHBondContact O-N 3.34Å; Y159-T163 HydrophobicContact CD2-CG2 3.84Å; Y159-T163 HydrophobicContact CE2-CG2 4.16Å; Y159-T163 CarbonylContact O-C 3.59Å; Y159-T163 WeakPolarHBondContact O-CA 3.38Å; Y159-T163 WeakPolarHBondContact O-CB 3.39Å; Y159-T163 PolarHBondContact O-N 3.16Å; T163-I166 WeakPolarHBondContact O-CB 3.35Å; T163-I166 PolarHBondContact O-N 3.18Å; T163-I167 HydrophobicContact CG2-CD1 4.28Å; T163-I167 PolarHBondContact O-N 2.95Å; T163-I167 VanDerWaalsContact O-N 3.1Å
164L97.1Very high97.2Very high56 Ų5662.5 Ų62.529%0.29332%0.315SS..Hα-helixtrans-57.5-42.6176.4-76.5-179.8000113.3Y159 I166 I167 K168Y159-L164 HydrophobicContact CE1-CD1 4.3Å; Y159-L164 HydrophobicContact CE1-CD2 4.01Å; Y159-L164 HydrophobicContact CE1-CG 3.99Å; Y159-L164 HydrophobicContact CE2-CD2 4.21Å; Y159-L164 HydrophobicContact CE2-CG 4.44Å; Y159-L164 PolarHBondContact O-N 3.42Å; Y159-L164 VanDerWaalsContact OH-CD2 3.29Å; Y159-L164 WeakPolarHBondContact OH-CD2 3.5Å; L164-I166 PolarHBondContact O-N 3.4Å; L164-I167 HydrophobicContact CD2-CD1 4.14Å; L164-I167 PolarHBondContact O-N 3.32Å; L164-I167 VanDerWaalsContact O-N 3.16Å; L164-K168 WeakPolarHBondContact O-CG 3.3Å; L164-K168 PolarHBondContact O-N 2.98Å
165P98.1Very high97.3Very high64 Ų6462.1 Ų62.142%0.41632%0.315SS..Hα-helixtrans-56.4-34.4172.5-28.636.2000114.3M161 K168 H169M161-P165 WeakPolarHBondContact O-CG 3.48Å; P165-K168 PolarHBondContact O-N 2.88Å; P165-H169 PolarHBondContact O-N 3.28Å
166I97.9Very high97.4Very high4 Ų461.7 Ų61.72%0.02132%0.317CS..Hα-helixtrans-71.3-38.8177.3-58.7-58.6000111.5L19 P101 N103 K104 L107 N162 T163 L164 K168 H169 F170L19-I166 HydrophobicContact CD1-CG2 4.44Å; P101-I166 HydrophobicContact CG-CG2 4.08Å; N103-I166 VanDerWaalsContact C-CD1 3.43Å; N103-I166 WeakPolarHBondContact O-CD1 3.38Å; K104-I166 HydrophobicContact CB-CD1 4.22Å; K104-I166 HydrophobicContact CD-CD1 4.33Å; L107-I166 HydrophobicContact CB-CD1 4.29Å; L107-I166 HydrophobicContact CD2-CD1 4.14Å; N162-I166 WeakPolarHBondContact O-CG1 3.43Å; T163-I166 WeakPolarHBondContact O-CB 3.35Å; T163-I166 PolarHBondContact O-N 3.18Å; L164-I166 PolarHBondContact O-N 3.4Å; I166-K168 VanDerWaalsContact C-N 3.34Å; I166-H169 WeakPolarHBondContact O-CB 3.43Å; I166-H169 PolarHBondContact O-N 3.05Å; I166-F170 HydrophobicContact CG2-CD2 3.82Å; I166-F170 HydrophobicContact CG2-CE2 3.48Å; I166-F170 VanDerWaalsContact CG2-CE2 3.48Å; I166-F170 HydrophobicContact CG2-CZ 4.42Å; I166-F170 WeakPolarHBondContact O-CD2 3.24Å; I166-F170 PolarHBondContact O-N 3.03Å
167I97.8Very high97.4Very high2 Ų265.6 Ų65.61%0.0133%0.331CS..Hα-helixtrans-61.2-46.1172.3-65.6158.5000109.9L19 F125 Y159 T163 L164 H169 F170 E171L19-I167 HydrophobicContact CB-CD1 4.32Å; L19-I167 HydrophobicContact CB-CG1 4.21Å; L19-I167 HydrophobicContact CD1-CG1 4.02Å; F125-I167 HydrophobicContact CD1-CG2 3.85Å; F125-I167 HydrophobicContact CD2-CD1 3.7Å; F125-I167 HydrophobicContact CD2-CG1 4.39Å; F125-I167 HydrophobicContact CE1-CD1 4.43Å; F125-I167 HydrophobicContact CE1-CG2 4.09Å; F125-I167 HydrophobicContact CE2-CD1 3.5Å; F125-I167 VanDerWaalsContact CE2-CD1 3.5Å; F125-I167 HydrophobicContact CG-CD1 4.34Å; F125-I167 HydrophobicContact CG-CG2 4.12Å; F125-I167 HydrophobicContact CZ-CD1 3.92Å; Y159-I167 HydrophobicContact CE2-CD1 4.16Å; T163-I167 HydrophobicContact CG2-CD1 4.28Å; T163-I167 PolarHBondContact O-N 2.95Å; T163-I167 VanDerWaalsContact O-N 3.1Å; L164-I167 HydrophobicContact CD2-CD1 4.14Å; L164-I167 PolarHBondContact O-N 3.32Å; L164-I167 VanDerWaalsContact O-N 3.16Å; I167-H169 VanDerWaalsContact C-N 3.3Å; I167-H169 PolarHBondContact O-N 3.24Å; I167-F170 PolarHBondContact O-N 3.29Å; I167-F170 VanDerWaalsContact O-N 3.12Å; I167-E171 HydrophobicContact CG2-CG 4.33Å; I167-E171 WeakPolarHBondContact O-CG 3.49Å; I167-E171 PolarHBondContact O-N 3.16Å
168K97.8Very high97.3Very high144 Ų14465.6 Ų65.663%0.62633%0.326SS*.Hα-helixtrans-58.9-39.9176-69.9180178.8-177.80112.8L164 P165 I166 E171 S172L164-K168 WeakPolarHBondContact O-CG 3.3Å; L164-K168 PolarHBondContact O-N 2.98Å; P165-K168 PolarHBondContact O-N 2.88Å; I166-K168 VanDerWaalsContact C-N 3.34Å; K168-E171 WeakPolarHBondContact O-CB 3.48Å; K168-E171 PolarHBondContact O-N 3.4Å; K168-S172 PolarHBondContact O-N 2.99Å
169H98Very high97Very high74 Ų7465 Ų6534%0.34332%0.322SS..Hα-helixtrans-61.3-44.5174.3175.173000112L107 P165 I166 I167 E171 S172 M173L107-H169 VanDerWaalsContact CD2-CD2 3.41Å; L107-H169 WeakPolarHBondContact CD2-CD2 3.41Å; P165-H169 PolarHBondContact O-N 3.28Å; I166-H169 WeakPolarHBondContact O-CB 3.43Å; I166-H169 PolarHBondContact O-N 3.05Å; I167-H169 VanDerWaalsContact C-N 3.3Å; I167-H169 PolarHBondContact O-N 3.24Å; H169-E171 VanDerWaalsContact C-N 3.34Å; H169-S172 PolarHBondContact O-N 2.91Å; H169-S172 PolarHBondContact O-OG 3.14Å; H169-M173 PolarHBondContact O-N 3.26Å
170F98.3Very high96.7Very high8 Ų868.1 Ų68.14%0.03534%0.34CS..Hα-helixtrans-70.3-29.8175.1-69.1-55.8000113.2F17 L19 P101 L107 V123 I166 I167 S172 M173 N174 I175 V176F17-F170 HydrophobicContact CD2-CZ 4.06Å; F17-F170 HydrophobicContact CE2-CZ 4.16Å; L19-F170 HydrophobicContact CD1-CD2 4.39Å; L19-F170 HydrophobicContact CD1-CE2 4.29Å; P101-F170 HydrophobicContact CG-CE2 4.02Å; P101-F170 HydrophobicContact CG-CZ 4.12Å; L107-F170 HydrophobicContact CD1-CE1 4.08Å; L107-F170 HydrophobicContact CD1-CZ 3.63Å; V123-F170 HydrophobicContact CG1-CD2 4.45Å; V123-F170 HydrophobicContact CG2-CB 3.95Å; V123-F170 HydrophobicContact CG2-CD1 3.99Å; V123-F170 HydrophobicContact CG2-CD2 3.66Å; V123-F170 HydrophobicContact CG2-CE1 4.31Å; V123-F170 HydrophobicContact CG2-CE2 3.99Å; V123-F170 HydrophobicContact CG2-CG 3.63Å; V123-F170 HydrophobicContact CG2-CZ 4.29Å; I166-F170 HydrophobicContact CG2-CD2 3.82Å; I166-F170 HydrophobicContact CG2-CE2 3.48Å; I166-F170 VanDerWaalsContact CG2-CE2 3.48Å; I166-F170 HydrophobicContact CG2-CZ 4.42Å; I166-F170 WeakPolarHBondContact O-CD2 3.24Å; I166-F170 PolarHBondContact O-N 3.03Å; I167-F170 PolarHBondContact O-N 3.29Å; I167-F170 VanDerWaalsContact O-N 3.12Å; F170-S172 VanDerWaalsContact C-N 3.34Å; F170-M173 HydrophobicContact CD1-SD 4.09Å; F170-M173 WeakPolarHBondContact O-CB 3.48Å; F170-M173 PolarHBondContact O-N 3.42Å; F170-N174 PolarHBondContact O-N 2.89Å; F170-I175 HydrophobicContact CB-CG1 4.16Å; F170-I175 HydrophobicContact CD1-CD1 3.67Å; F170-I175 HydrophobicContact CD1-CG1 4.13Å; F170-I175 HydrophobicContact CE1-CD1 4.18Å; F170-I175 HydrophobicContact CG-CD1 4.46Å; F170-I175 PolarHBondContact O-N 3.44Å; F170-V176 VanDerWaalsContact C-CG2 3.44Å; F170-V176 HydrophobicContact CB-CG2 3.44Å; F170-V176 VanDerWaalsContact CB-CG2 3.44Å
171E97.9Very high96.4Very high71 Ų7163.6 Ų63.633%0.33232%0.319SS..Hα-helixtrans-62.1-42.1172.7-74.2176.9151.300110.6I167 K168 H169 M173 N174 V176 R178I167-E171 HydrophobicContact CG2-CG 4.33Å; I167-E171 WeakPolarHBondContact O-CG 3.49Å; I167-E171 PolarHBondContact O-N 3.16Å; K168-E171 WeakPolarHBondContact O-CB 3.48Å; K168-E171 PolarHBondContact O-N 3.4Å; H169-E171 VanDerWaalsContact C-N 3.34Å; E171-M173 PolarHBondContact O-N 3.1Å; E171-N174 PolarHBondContact O-N 3.39Å; E171-V176 HydrophobicContact CB-CG2 4.44Å; E171-V176 HydrophobicContact CG-CB 3.87Å; E171-V176 HydrophobicContact CG-CG1 4.07Å; E171-V176 HydrophobicContact CG-CG2 3.78Å; E171-R178 IonicContact OE1-CZ 3.72Å; E171-R178 IonicContact OE1-NE 3.95Å; E171-R178 IonicContact OE1-NH2 2.67Å; E171-R178 PolarHBondContact OE1-NH2 3.28Å
172S97.9Very high95.9Very high90 Ų9059 Ų5963%0.62930%0.301SS*.Hα-helixtrans-65.5-20.117671.70000113.5K168 H169 F170 N174K168-S172 PolarHBondContact O-N 2.99Å; H169-S172 PolarHBondContact O-N 2.91Å; H169-S172 PolarHBondContact O-OG 3.14Å; F170-S172 VanDerWaalsContact C-N 3.34Å; S172-N174 VanDerWaalsContact C-N 3.34Å
173M97.4Very high94.9Very high98 Ų9857.9 Ų57.948%0.48330%0.299SS..THydrogen-bonded Turntrans-87.5-1.5173.4-62.7176.768.600113.1H169 F170 E171 I175H169-M173 PolarHBondContact O-N 3.26Å; F170-M173 HydrophobicContact CD1-SD 4.09Å; F170-M173 WeakPolarHBondContact O-CB 3.48Å; F170-M173 PolarHBondContact O-N 3.42Å; E171-M173 PolarHBondContact O-N 3.1Å; M173-I175 HydrophobicContact CB-CG1 4.22Å; M173-I175 HydrophobicContact CB-CG2 4.45Å; M173-I175 PolarHBondContact O-N 2.95Å
174N97.7Very high93.2Very high151 Ų15165.1 Ų65.181%0.80733%0.327SS*.THydrogen-bonded Turntrans58.624.9-176.7-60.6-58.4000114.9F170 E171 S172F170-N174 PolarHBondContact O-N 2.89Å; E171-N174 PolarHBondContact O-N 3.39Å; S172-N174 VanDerWaalsContact C-N 3.34Å
175I97.8Very high91.2Very high40 Ų4067.7 Ų67.721%0.20535%0.345CS..  trans-104.65.1178.769.7169.4000113.5V120 F122 V123 F170 M173V120-I175 HydrophobicContact CG1-CD1 4.39Å; F122-I175 CarbonylContact C-O 3.4Å; F122-I175 WeakPolarHBondContact CA-O 3.48Å; F122-I175 VanDerWaalsContact CB-O 3.28Å; F122-I175 WeakPolarHBondContact CB-O 3.27Å; V123-I175 HydrophobicContact CG2-CD1 4.17Å; V123-I175 HydrophobicContact CG2-CG1 4.29Å; V123-I175 PolarHBondContact N-O 3.26Å; F170-I175 HydrophobicContact CB-CG1 4.16Å; F170-I175 HydrophobicContact CD1-CD1 3.67Å; F170-I175 HydrophobicContact CD1-CG1 4.13Å; F170-I175 HydrophobicContact CE1-CD1 4.18Å; F170-I175 HydrophobicContact CG-CD1 4.46Å; F170-I175 PolarHBondContact O-N 3.44Å; M173-I175 HydrophobicContact CB-CG1 4.22Å; M173-I175 HydrophobicContact CB-CG2 4.45Å; M173-I175 PolarHBondContact O-N 2.95Å
176V98.2Very high89.3Confident31 Ų3164.7 Ų64.719%0.18833%0.325CS..EExtended strand (participates in β ladder)trans-88124.9179.4174.80000110.9V123 F125 F170 E171V123-V176 HydrophobicContact CB-CG2 4.1Å; V123-V176 CarbonylContact O-C 3.43Å; V123-V176 WeakPolarHBondContact O-CA 3.47Å; F125-V176 HydrophobicContact CB-CG1 3.89Å; F170-V176 VanDerWaalsContact C-CG2 3.44Å; F170-V176 HydrophobicContact CB-CG2 3.44Å; F170-V176 VanDerWaalsContact CB-CG2 3.44Å; E171-V176 HydrophobicContact CB-CG2 4.44Å; E171-V176 HydrophobicContact CG-CB 3.87Å; E171-V176 HydrophobicContact CG-CG1 4.07Å; E171-V176 HydrophobicContact CG-CG2 3.78Å
177R95.5Very high87.3Confident88 Ų8868.1 Ų68.133%0.33234%0.343SS..EExtended strand (participates in β ladder)trans-110.4105.3170.8-56.3-177.2176.7-169.7-24.3108.7F122 V123 L124 F125 T193 R195F122-R177 HydrophobicContact CB-CG 4.31Å; F122-R177 HydrophobicContact CD2-CB 4.31Å; F122-R177 HydrophobicContact CD2-CG 4.02Å; F122-R177 HydrophobicContact CG-CG 4.32Å; V123-R177 PolarHBondContact O-N 3.19Å; L124-R177 WeakPolarHBondContact CA-O 3.37Å; F125-R177 PolarHBondContact N-O 3.43Å; R177-T193 HydrophobicContact CB-CG2 3.59Å; R177-T193 HydrophobicContact CG-CG2 4.03Å; R177-R195 PolarHBondContact NH1-OXT 3.05Å; R177-R195 PolarHBondContact NH2-OXT 3.38Å
178R93.6Very high85.2Confident121 Ų12171.6 Ų71.646%0.45737%0.368SS..EExtended strand (participates in β ladder)trans-87.7138.8-174.5-176.1-179.5-70.4-1101.9112.4F125 D127 E171F125-R178 HydrophobicContact CD1-CG 4.12Å; F125-R178 VanDerWaalsContact CD1-CZ 3.43Å; F125-R178 VanDerWaalsContact CE1-NH2 3.34Å; D127-R178 HydrophobicContact CB-CG 4.28Å; D127-R178 IonicContact OD2-CZ 3.94Å; D127-R178 IonicContact OD2-NH1 2.76Å; D127-R178 PolarHBondContact OD2-NH1 2.92Å; E171-R178 IonicContact OE1-CZ 3.72Å; E171-R178 IonicContact OE1-NE 3.95Å; E171-R178 IonicContact OE1-NH2 2.67Å; E171-R178 PolarHBondContact OE1-NH2 3.28Å
179I91Very high83.4Confident9 Ų969.8 Ų69.85%0.04636%0.36CS..EExtended strand (participates in β ladder)trans-132.9139.3173.352165000110.5L124 F125 M126 D127 A181 L186 V190L124-I179 HydrophobicContact CD1-CD1 3.69Å; L124-I179 HydrophobicContact CD1-CG1 3.82Å; L124-I179 HydrophobicContact CD1-CG2 4.06Å; L124-I179 HydrophobicContact CD2-CD1 4.06Å; L124-I179 HydrophobicContact CG-CD1 3.98Å; L124-I179 HydrophobicContact CG-CG1 4.32Å; F125-I179 VanDerWaalsContact O-CG1 3.29Å; F125-I179 WeakPolarHBondContact O-CG1 3.49Å; F125-I179 PolarHBondContact O-N 2.91Å; M126-I179 HydrophobicContact CG-CD1 3.46Å; M126-I179 VanDerWaalsContact CG-CD1 3.46Å; M126-I179 HydrophobicContact CG-CG1 3.9Å; M126-I179 HydrophobicContact SD-CD1 4.31Å; D127-I179 PolarHBondContact N-O 3.37Å; I179-A181 PolarHBondContact O-N 3.42Å; I179-L186 HydrophobicContact CD1-CD1 4.38Å; I179-L186 HydrophobicContact CD1-CD2 3.37Å; I179-L186 HydrophobicContact CD1-CG 4.28Å; I179-V190 HydrophobicContact CD1-CG2 4.17Å
180N90.1Very high81.6Confident83 Ų8366.5 Ų66.544%0.44435%0.345SS..EExtended strand (participates in β ladder)trans-77.3116.1171.8179.9-25000109.6A182 L186N180-A182 WeakPolarHBondContact OD1-CB 3.38Å; N180-A182 PolarHBondContact OD1-N 3.38Å; N180-L186 WeakPolarHBondContact O-CD1 3.38Å
181A90.2Very high79.8Confident2 Ų272.1 Ų72.12%0.01737%0.366CS..  trans-101.87.4179.900000115M126 D127 C128 R136 I179 L186M126-A181 HydrophobicContact CB-CB 4Å; M126-A181 HydrophobicContact CE-CB 3.52Å; M126-A181 HydrophobicContact CG-CB 4.47Å; D127-A181 WeakPolarHBondContact O-CA 3.31Å; D127-A181 WeakPolarHBondContact O-CB 3.49Å; D127-A181 PolarHBondContact O-N 2.94Å; C128-A181 HydrophobicContact CB-CB 4.15Å; R136-A181 PolarHBondContact NH1-O 3.15Å; R136-A181 PolarHBondContact NH2-O 3.26Å; I179-A181 PolarHBondContact O-N 3.42Å; A181-L186 VanDerWaalsContact CA-CD1 3.4Å; A181-L186 HydrophobicContact CB-CD1 3.8Å
182A86.6Confident78.1Confident30 Ų3077.3 Ų77.325%0.24839%0.388CS..SBendtrans-66-38172.800000111.7I132 R136 N180I132-A182 HydrophobicContact CD1-CB 3.8Å; R136-A182 PolarHBondContact NH2-O 3.43Å; N180-A182 WeakPolarHBondContact OD1-CB 3.38Å; N180-A182 PolarHBondContact OD1-N 3.38Å
183S77.3Confident76.6Confident45 Ų4573.7 Ų73.732%0.31536%0.361SS..SBendtrans-94.5136.3177.364.50000112.5T185S183-T185 PolarHBondContact O-N 3.13Å; S183-T185 VanDerWaalsContact O-N 3.16Å
184Y60.8Low75.2Confident156 Ų15670.3 Ų70.361%0.61234%0.344SS*.SBendtrans-64.1-16.6177.2-80-87.4000114.5L186Y184-L186 PolarHBondContact O-N 3.3Å
185T55.7Low73.4Confident111 Ų11174.3 Ų74.368%0.68135%0.348SS*.  trans-77.940.4-176.1390000114.4S183S183-T185 PolarHBondContact O-N 3.13Å; S183-T185 VanDerWaalsContact O-N 3.16Å
186L58.1Low72.2Confident1 Ų176.1 Ų76.11%0.00536%0.355CS..THydrogen-bonded Turntrans-81.2-21.4-165.1-152.5126.9000114.7Q29 M126 I179 N180 A181 Y184 S188 K189 V190Q29-L186 HydrophobicContact CB-CD2 4.39Å; Q29-L186 HydrophobicContact CG-CD2 3.97Å; Q29-L186 VanDerWaalsContact NE2-CB 3.29Å; M126-L186 HydrophobicContact CE-CD1 4.4Å; I179-L186 HydrophobicContact CD1-CD1 4.38Å; I179-L186 HydrophobicContact CD1-CD2 3.37Å; I179-L186 HydrophobicContact CD1-CG 4.28Å; N180-L186 WeakPolarHBondContact O-CD1 3.38Å; A181-L186 VanDerWaalsContact CA-CD1 3.4Å; A181-L186 HydrophobicContact CB-CD1 3.8Å; Y184-L186 PolarHBondContact O-N 3.3Å; L186-S188 VanDerWaalsContact C-N 3.26Å; L186-S188 PolarHBondContact O-N 2.77Å; L186-S188 VanDerWaalsContact O-N 3.14Å; L186-K189 PolarHBondContact O-N 2.76Å; L186-K189 VanDerWaalsContact O-N 3.1Å; L186-V190 HydrophobicContact CD2-CG2 3.27Å; L186-V190 HydrophobicContact CG-CG2 4.4Å; L186-V190 PolarHBondContact O-N 2.99Å
187L55Low70.8Confident75 Ų7578.4 Ų78.439%0.39336%0.364SS..Hα-helixtrans-58.1-32-171.4-83171.8000114.2R32 R191R32-L187 HydrophobicContact CB-CD2 3.63Å; R32-L187 HydrophobicContact CG-CD2 4.29Å; L187-R191 WeakPolarHBondContact O-CG 3.39Å
188S54.6Low69.4Low76 Ų7677.9 Ų77.953%0.53137%0.366SS..Hα-helixtrans-71.4-33.8179.959.70000112.7L186L186-S188 VanDerWaalsContact C-N 3.26Å; L186-S188 PolarHBondContact O-N 2.77Å; L186-S188 VanDerWaalsContact O-N 3.14Å
189K59.2Low68Low106 Ų10675.4 Ų75.446%0.46136%0.36SS..Hα-helixtrans-78.9-40-177.2-67.3-179179.9176.50112.3L186 R191 K192 T193L186-K189 PolarHBondContact O-N 2.76Å; L186-K189 VanDerWaalsContact O-N 3.1Å; K189-R191 PolarHBondContact O-N 2.81Å; K189-R191 VanDerWaalsContact O-N 3.17Å; K189-K192 PolarHBondContact O-N 3.42Å; K189-T193 PolarHBondContact O-OG1 3.43Å
190V60.5Low66.6Low4 Ų479.5 Ų79.52%0.02438%0.38CS..Hα-helixtrans-56.1-31.7175.4168.90000112.5I33 I179 L186 K192 T193 F194I33-V190 HydrophobicContact CD1-CG1 3.86Å; I33-V190 HydrophobicContact CG1-CG1 3.38Å; I179-V190 HydrophobicContact CD1-CG2 4.17Å; L186-V190 HydrophobicContact CD2-CG2 3.27Å; L186-V190 HydrophobicContact CG-CG2 4.4Å; L186-V190 PolarHBondContact O-N 2.99Å; V190-K192 PolarHBondContact O-N 3.21Å; V190-T193 CarbonylContact O-C 3.59Å; V190-T193 VanDerWaalsContact O-CB 3.25Å; V190-T193 WeakPolarHBondContact O-CB 3.39Å; V190-T193 PolarHBondContact O-N 2.97Å; V190-T193 VanDerWaalsContact O-O 3.1Å; V190-F194 HydrophobicContact CG1-CD2 4.11Å; V190-F194 HydrophobicContact CG1-CE2 4.17Å
191R60.1Low65Low127 Ų12779.3 Ų79.348%0.47938%0.376SS..THydrogen-bonded Turntrans-64.7-24.2178.3-70.9170.9-178.3-173.21.2114.4K36 L187 K189 T193K36-R191 HydrophobicContact CD-CG 4.48Å; K36-R191 VanDerWaalsContact NZ-NE 3.2Å; L187-R191 WeakPolarHBondContact O-CG 3.39Å; K189-R191 PolarHBondContact O-N 2.81Å; K189-R191 VanDerWaalsContact O-N 3.17Å; R191-T193 CarbonylContact C-O 3.53Å; R191-T193 VanDerWaalsContact O-O 3.07Å
192K62Low63.2Low180 Ų18084.8 Ų84.878%0.78340%0.402SS*.THydrogen-bonded Turntrans-87.6-31.2179.8-70.1-174.7178-173.90112K189 V190K189-K192 PolarHBondContact O-N 3.42Å; V190-K192 PolarHBondContact O-N 3.21Å
193T67.4Low61.4Low13 Ų1389 Ų898%0.0841%0.413CS..SBendtrans-60.2177.3151.1-28.20000108.2F122 L124 R177 K189 V190 R191 R195F122-T193 HydrophobicContact CD2-CG2 4.32Å; F122-T193 HydrophobicContact CE2-CG2 3.64Å; F122-T193 HydrophobicContact CZ-CG2 4.07Å; L124-T193 HydrophobicContact CD1-CG2 3.93Å; R177-T193 HydrophobicContact CB-CG2 3.59Å; R177-T193 HydrophobicContact CG-CG2 4.03Å; K189-T193 PolarHBondContact O-OG1 3.43Å; V190-T193 CarbonylContact O-C 3.59Å; V190-T193 VanDerWaalsContact O-CB 3.25Å; V190-T193 WeakPolarHBondContact O-CB 3.39Å; V190-T193 PolarHBondContact O-N 2.97Å; V190-T193 VanDerWaalsContact O-O 3.1Å; R191-T193 CarbonylContact C-O 3.53Å; R191-T193 VanDerWaalsContact O-O 3.07Å; T193-R195 PolarHBondContact O-N 2.64Å
194F67Low60.1Low28 Ų2892.7 Ų92.712%0.12342%0.422CS..  trans55-23.4-178.6-64.6-83.2000119.6V16 I33 F37 Y39 I96 F122 V190V16-F194 HydrophobicContact CG1-CZ 4.29Å; V16-F194 HydrophobicContact CG2-CE1 4.23Å; I33-F194 HydrophobicContact CD1-CE2 3.92Å; I33-F194 HydrophobicContact CD1-CZ 4.27Å; I33-F194 HydrophobicContact CG1-CE2 4.14Å; I33-F194 HydrophobicContact CG2-CD1 4.45Å; I33-F194 HydrophobicContact CG2-CD2 4.17Å; I33-F194 HydrophobicContact CG2-CE1 3.86Å; I33-F194 HydrophobicContact CG2-CE2 3.55Å; I33-F194 HydrophobicContact CG2-CZ 3.38Å; F37-F194 HydrophobicContact CD1-CB 3.92Å; F37-F194 HydrophobicContact CD2-CB 4.09Å; F37-F194 HydrophobicContact CD2-CD1 4.3Å; F37-F194 HydrophobicContact CD2-CD2 4.38Å; F37-F194 AromaticContact CD2-CG 3.99Å; F37-F194 HydrophobicContact CD2-CG 3.99Å; F37-F194 HydrophobicContact CE1-CB 3.63Å; F37-F194 HydrophobicContact CE2-CB 3.81Å; F37-F194 HydrophobicContact CE2-CD2 4.15Å; F37-F194 AromaticContact CE2-CG 3.99Å; F37-F194 HydrophobicContact CE2-CG 3.99Å; F37-F194 HydrophobicContact CG-CB 4.13Å; F37-F194 HydrophobicContact CG-CD1 4.33Å; F37-F194 HydrophobicContact CG-CG 4.28Å; F37-F194 HydrophobicContact CZ-CB 3.57Å; F37-F194 HydrophobicContact CZ-CG 4.26Å; Y39-F194 HydrophobicContact CD2-CD1 4.44Å; Y39-F194 HydrophobicContact CD2-CE1 4.33Å; Y39-F194 HydrophobicContact CE2-CD1 4.21Å; Y39-F194 HydrophobicContact CE2-CE1 4.36Å; I96-F194 HydrophobicContact CD1-CZ 4.35Å; F122-F194 HydrophobicContact CE1-CD1 4.4Å; F122-F194 HydrophobicContact CE1-CE1 4.45Å; F122-F194 HydrophobicContact CE2-CE2 4.45Å; F122-F194 HydrophobicContact CE2-CZ 4.33Å; F122-F194 AromaticContact CZ-CD1 3.87Å; F122-F194 HydrophobicContact CZ-CD1 3.87Å; F122-F194 HydrophobicContact CZ-CD2 4.23Å; F122-F194 AromaticContact CZ-CE1 3.72Å; F122-F194 HydrophobicContact CZ-CE1 3.72Å; F122-F194 HydrophobicContact CZ-CE2 4.08Å; F122-F194 HydrophobicContact CZ-CG 4.11Å; F122-F194 AromaticContact CZ-CZ 3.81Å; F122-F194 HydrophobicContact CZ-CZ 3.81Å; V190-F194 HydrophobicContact CG1-CD2 4.11Å; V190-F194 HydrophobicContact CG1-CE2 4.17Å
195R60.6Low60Low235 Ų23586.9 Ų86.989%0.88740%0.404SS*.  trans-78.50156-68.4-179.7177.6-172.1-3109.4R177 T193R177-R195 PolarHBondContact NH1-OXT 3.05Å; R177-R195 PolarHBondContact NH2-OXT 3.38Å; T193-R195 PolarHBondContact O-N 2.64Å

Retrieved 195 of 195 residues in 265.3 ms (Link to these results)

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