A0A089VIW4_HUMAN Loading...

IL18Ralpha2 splice variant

AlphaFold DB , UniProt , Accession A0A089VIW4, Species HUMAN (Homo sapiens, Human), Gene IL18R1, Length 197 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
1L49.8Very low76.7Confident218 Ų218155.5 Ų155.5100%1.14181%0.806SS**  0124.30-111.582.6000107.5
2F56.9Low76.6Confident200 Ų200156.8 Ų156.888%0.87781%0.812SS**  trans-100.8127.4175.7-63.3-79.1000109.2
3N64.7Low76.4Confident155 Ų155152.8 Ų152.883%0.82980%0.798SS**  trans-82.8116.8171.7-87.2-13.1000108.8
4I74.5Confident75.9Confident156 Ų156154.7 Ų154.780%0.880%0.801SS**  trans-104.4115.3173.6-67.4167.9000107.2
5T80.3Confident75.4Confident128 Ų128154.1 Ų154.179%0.78580%0.799SS**  trans-102125.6176.1-37.40000108.6
6K80.3Confident74.8Confident161 Ų161153.9 Ų153.970%0.779%0.785SS**  trans-120.6115.4178.5-161.9174.7-176.7178.90108.9F8K6-F8 HydrophobicContact CD-CE1 4.34Å; K6-F8 HydrophobicContact CD-CE2 4.24Å; K6-F8 HydrophobicContact CD-CZ 3.71Å; K6-F8 HydrophobicContact CG-CE2 4.19Å; K6-F8 HydrophobicContact CG-CZ 4.05Å
7T88.2Confident74.6Confident132 Ų132151 Ų15181%0.8178%0.782SS**  trans-100.1128.7179-460000109
8F88.4Confident74.8Confident141 Ų141148.4 Ų148.462%0.61877%0.769SS**  trans-104.8134.8173.9-62.5-85.5000109.3K6 I10K6-F8 HydrophobicContact CD-CE1 4.34Å; K6-F8 HydrophobicContact CD-CE2 4.24Å; K6-F8 HydrophobicContact CD-CZ 3.71Å; K6-F8 HydrophobicContact CG-CE2 4.19Å; K6-F8 HydrophobicContact CG-CZ 4.05Å; F8-I10 HydrophobicContact CB-CG1 4.31Å
9N88.4Confident75.2Confident162 Ų162142.6 Ų142.687%0.86674%0.739SS**  trans-94.9109.1172.3-153.39.6000107.8
10I86.9Confident75.8Confident144 Ų144140.4 Ų140.474%0.73873%0.732SS**  trans-107.8124.5-176.3-58.3172.2000108.1F8F8-I10 HydrophobicContact CB-CG1 4.31Å
11T84.9Confident76.5Confident114 Ų114133.8 Ų133.870%0.69970%0.698SS**  trans-114.4132.6173.746.70000109.7
12I75.4Confident78.6Confident171 Ų171127 Ų12788%0.87767%0.665SS**  trans-89.1123.4175.5-56.6176.1000107.3
13V74.9Confident80.4Confident104 Ų104118 Ų11863%0.6363%0.626SS**  trans-114.9143.2177.1-173.60000107.7
14E68.7Low81.8Confident180 Ų180114.2 Ų114.284%0.84161%0.605SS**  trans-63.2147.3175-164.4168.6-16500110.7R16E14-R16 PolarHBondContact O-N 2.71Å; E14-R16 VanDerWaalsContact O-N 3.1Å
15D68Low82.6Confident145 Ų145109.7 Ų109.778%0.77560%0.597SS**  trans-64.6114.5-175.5-165.610.5000110.1S17D15-S17 PolarHBondContact O-N 2.95Å
16R66.8Low83.2Confident151 Ų151107.2 Ų107.257%0.5758%0.583SS**  trans-71.699.3177-66.9-179.3-179-176.4-5.5106.8E14 N18 E50E14-R16 PolarHBondContact O-N 2.71Å; E14-R16 VanDerWaalsContact O-N 3.1Å; R16-N18 PolarHBondContact O-N 3.1Å; R16-N18 PolarHBondContact O-OD1 3.48Å; R16-E50 IonicContact CZ-OE1 2.85Å; R16-E50 IonicContact NH1-OE1 2.65Å; R16-E50 PolarHBondContact NH1-OE1 2.89Å
17S70.9Confident83.9Confident105 Ų105104.7 Ų104.773%0.73457%0.573SS**  trans-67.275.1175.2-66.80000110.1D15 I19D15-S17 PolarHBondContact O-N 2.95Å; S17-I19 PolarHBondContact O-N 2.97Å
18N77.6Confident84.1Confident104 Ų104102.3 Ų102.356%0.55655%0.554SS**PPolyproline II helixtrans-68126.4-179.5-70.2-13.3000109R16 N48R16-N18 PolarHBondContact O-N 3.1Å; R16-N18 PolarHBondContact O-OD1 3.48Å; N18-N48 WeakPolarHBondContact CA-OD1 3.38Å
19I83.2Confident84.4Confident39 Ų3997.2 Ų97.220%0.253%0.533CS..PPolyproline II helixtrans-92.5154.7174.659.4162.4000110.2S17 L46 N48 K81S17-I19 PolarHBondContact O-N 2.97Å; I19-L46 HydrophobicContact CD1-CB 4.49Å; I19-L46 HydrophobicContact CD1-CD2 4.01Å; I19-L46 HydrophobicContact CD1-CG 3.8Å; I19-N48 VanDerWaalsContact CG1-OD1 3.31Å; I19-N48 WeakPolarHBondContact CG1-OD1 3.31Å; I19-N48 PolarHBondContact N-OD1 3.33Å; I19-N48 PolarHBondContact O-ND2 3.44Å; I19-K81 HydrophobicContact CD1-CD 4.27Å; I19-K81 HydrophobicContact CG2-CD 4.46Å
20V86.9Confident84.7Confident98 Ų9895.2 Ų95.259%0.59452%0.519SS*.PPolyproline II helixtrans-71.8125.9163.2-179.30000107.2
21P90.9Very high85Confident2 Ų290.1 Ų90.11%0.01349%0.494CS..PPolyproline II helixtrans-67.9144.1-176.831.9-39.9000110.9L46 L47 V106P21-L46 VanDerWaalsContact CA-O 3.31Å; P21-L46 WeakPolarHBondContact CA-O 3.23Å; P21-L47 HydrophobicContact CB-CB 4.14Å; P21-V106 HydrophobicContact CB-CB 4.41Å; P21-V106 HydrophobicContact CB-CG1 3.83Å; P21-V106 HydrophobicContact CB-CG2 3.67Å; P21-V106 HydrophobicContact CG-CG1 4.2Å; P21-V106 HydrophobicContact CG-CG2 4.33Å
22V93.3Very high85.4Confident75 Ų7587.6 Ų87.646%0.45549%0.485SS..EExtended strand (participates in β ladder)trans-135.3131.3-178.6-179.50000110.5A45 L46V22-A45 WeakPolarHBondContact O-CA 3.44Å; V22-L46 PolarHBondContact N-O 3.11Å; V22-L46 PolarHBondContact O-N 2.81Å
23L95.2Very high86.1Confident10 Ų1079.9 Ų79.95%0.05245%0.446CS..EExtended strand (participates in β ladder)trans-79134.8170.3-65.6179000110.8A45 C104 V106 D113 K115L23-A45 HydrophobicContact CD2-CB 3.65Å; L23-C104 VanDerWaalsContact CD1-O 3.27Å; L23-C104 WeakPolarHBondContact CD1-O 3.35Å; L23-V106 HydrophobicContact CD2-CB 3.97Å; L23-V106 HydrophobicContact CD2-CG1 3.8Å; L23-V106 HydrophobicContact CG-CG1 3.85Å; L23-D113 WeakPolarHBondContact CB-OD2 3.26Å; L23-D113 VanDerWaalsContact CD1-O 3.25Å; L23-D113 WeakPolarHBondContact CD1-O 3.38Å; L23-D113 HydrophobicContact CG-CB 4.3Å; L23-D113 PolarHBondContact N-OD2 3.36Å; L23-D113 VanDerWaalsContact N-OD2 3.14Å; L23-K115 HydrophobicContact CB-CB 4.31Å; L23-K115 HydrophobicContact CD1-CB 3.41Å; L23-K115 VanDerWaalsContact CD1-CB 3.41Å; L23-K115 VanDerWaalsContact CD1-N 3.33Å; L23-K115 HydrophobicContact CG-CB 4.48Å
24L93.3Very high86.9Confident76 Ų7677 Ų7740%0.39843%0.425SS..SBendtrans-81.2137.8-179.4-58179.7000111.1S44 H83 K115L24-S44 PolarHBondContact N-O 2.9Å; L24-H83 WeakPolarHBondContact CD1-NE2 3.31Å; L24-K115 PolarHBondContact O-NZ 2.79Å
25G92.2Very high88Confident61 Ų6171.9 Ų71.963%0.62940%0.403SS*.SBendtrans92.5-169.2178.200000114
26P93.8Very high89Confident76 Ų7667 Ų6749%0.49439%0.388SS..  trans-77.8151.2-173.332.5-35.1000111.3L28 N29 K115P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 2.9Å; P26-N29 WeakPolarHBondContact CG-OD1 3.07Å; P26-N29 PolarHBondContact O-ND2 2.71Å; P26-K115 WeakPolarHBondContact O-CE 3.45Å; P26-K115 WeakPolarHBondContact O-CG 3.46Å
27K93.3Very high90.2Very high109 Ų10965.4 Ų65.447%0.47439%0.385SS..SBendtrans-60.8-31.7-179.3-73.6-60.6-166.9-179.50114.7D113 T114 K115 S116K27-D113 IonicContact NZ-OD1 3.98Å; K27-D113 PolarHBondContact NZ-OD1 3.06Å; K27-D113 IonicContact NZ-OD2 3.91Å; K27-D113 PolarHBondContact NZ-OD2 2.88Å; K27-T114 WeakPolarHBondContact CD-O 3.49Å; K27-T114 PolarHBondContact NZ-O 3.4Å; K27-K115 WeakPolarHBondContact O-CA 3.42Å; K27-S116 PolarHBondContact O-N 3.02Å
28L94.2Very high91.3Very high82 Ų8265.1 Ų65.143%0.42938%0.375SS..EExtended strand (participates in β ladder)trans-127.3130.9179.1-175.464.6000109.5P26 L101 S116 I118P26-L28 VanDerWaalsContact C-N 3.27Å; P26-L28 PolarHBondContact O-N 2.9Å; L28-L101 HydrophobicContact CD1-CD2 4.46Å; L28-S116 CarbonylContact C-O 3.55Å; L28-S116 WeakPolarHBondContact CA-O 3.33Å; L28-I118 HydrophobicContact CD1-CD1 3.79Å; L28-I118 HydrophobicContact CD1-CG1 4.01Å
29N94.6Very high92.1Very high33 Ų3361 Ų6118%0.17635%0.354CS..EExtended strand (participates in β ladder)trans-126.9125.9-179.4-63.2-95.6000109.8P26 K115 S116 F117 I118P26-N29 WeakPolarHBondContact CG-OD1 3.07Å; P26-N29 PolarHBondContact O-ND2 2.71Å; N29-K115 WeakPolarHBondContact ND2-CE 3.45Å; N29-S116 PolarHBondContact N-O 2.8Å; N29-F117 HydrophobicContact CB-CD1 3.6Å; N29-F117 HydrophobicContact CB-CE1 3.9Å; N29-F117 HydrophobicContact CB-CG 4.28Å; N29-F117 CarbonylContact O-C 3.57Å; N29-F117 WeakPolarHBondContact O-CA 3.34Å; N29-I118 PolarHBondContact O-N 3.35Å
30H93.6Very high92.7Very high121 Ų12166.9 Ų66.956%0.5637%0.373SS*.EExtended strand (participates in β ladder)trans-96.1120.7170.6-66-100.4000108.6I118 V120H30-I118 WeakPolarHBondContact CA-O 3.49Å; H30-V120 HydrophobicContact CB-CG2 4.45Å
31V93Very high93.1Very high37 Ų3762.4 Ų62.422%0.22435%0.346CS..EExtended strand (participates in β ladder)trans-113.8113.5-177.6-176.10000108.6V33 V39 L41 F117 I118 L119 V120V31-V33 HydrophobicContact CG1-CG1 4.11Å; V31-V33 PolarHBondContact O-N 2.79Å; V31-V39 HydrophobicContact CG1-CG2 4.1Å; V31-L41 HydrophobicContact CB-CD2 4.32Å; V31-L41 HydrophobicContact CG1-CD2 4.25Å; V31-L41 HydrophobicContact CG2-CD2 3.9Å; V31-F117 HydrophobicContact CG2-CD1 4.14Å; V31-I118 PolarHBondContact N-O 3.08Å; V31-L119 HydrophobicContact CB-CD2 4.02Å; V31-L119 HydrophobicContact CG1-CD2 4.37Å; V31-L119 WeakPolarHBondContact O-CA 3.41Å; V31-V120 PolarHBondContact O-N 3.12Å
32A92.9Very high93.3Very high60 Ų6066.3 Ų66.350%0.49637%0.367SS..EExtended strand (participates in β ladder)trans-72.9122.6177.600000110.5V120 K122A32-V120 CarbonylContact C-O 3.57Å; A32-V120 WeakPolarHBondContact CA-O 3.43Å; A32-V120 HydrophobicContact CB-CG2 4.36Å; A32-K122 HydrophobicContact CB-CB 4Å; A32-K122 HydrophobicContact CB-CG 4.18Å
33V92Very high93.5Very high9 Ų962.8 Ų62.86%0.05535%0.345CS..EExtended strand (participates in β ladder)trans-130.4150.2-176.6-640000112.2V31 V39 I93 L98 L119 V120 K122V31-V33 HydrophobicContact CG1-CG1 4.11Å; V31-V33 PolarHBondContact O-N 2.79Å; V33-V39 HydrophobicContact CG1-CB 3.97Å; V33-V39 HydrophobicContact CG1-CG1 4.27Å; V33-V39 HydrophobicContact CG1-CG2 3.82Å; V33-I93 HydrophobicContact CB-CD1 3.73Å; V33-I93 HydrophobicContact CG1-CD1 3.9Å; V33-I93 HydrophobicContact CG2-CD1 4.17Å; V33-I93 HydrophobicContact CG2-CG2 4.04Å; V33-L98 HydrophobicContact CG2-CD2 3.57Å; V33-L119 HydrophobicContact CG1-CD2 3.96Å; V33-L119 HydrophobicContact CG2-CB 3.98Å; V33-V120 WeakPolarHBondContact CG2-O 3.13Å; V33-V120 PolarHBondContact N-O 3.04Å; V33-K122 WeakPolarHBondContact O-CB 3.49Å; V33-K122 PolarHBondContact O-N 2.82Å
34E91Very high93.5Very high44 Ų4463.3 Ų63.321%0.20635%0.35CS..  trans-100.5137.9173.9-65.9170.2-153.700108.7K37 K122 M124E34-K37 HydrophobicContact CB-CD 4.07Å; E34-K37 HydrophobicContact CB-CG 4.3Å; E34-K37 PolarHBondContact O-N 2.94Å; E34-K37 WeakPolarHBondContact OE2-CD 3.35Å; E34-K37 WeakPolarHBondContact OE2-CE 3.32Å; E34-K37 IonicContact OE2-NZ 2.83Å; E34-K37 PolarHBondContact OE2-NZ 3.38Å; E34-K122 HydrophobicContact CG-CB 4.12Å; E34-K122 HydrophobicContact CG-CD 3.92Å; E34-K122 WeakPolarHBondContact OE1-CD 3.25Å; E34-K122 IonicContact OE1-NZ 3.55Å; E34-K122 PolarHBondContact OE1-NZ 3.1Å; E34-M124 HydrophobicContact CG-CE 4.37Å
35L90.9Very high93.6Very high73 Ų7359.7 Ų59.738%0.38233%0.331SS..THydrogen-bonded Turntrans-61.5143.3177.8-66.3177.5000110.9K37 I93 E95 L98L35-K37 PolarHBondContact O-N 3.33Å; L35-I93 WeakPolarHBondContact CA-O 3.38Å; L35-I93 HydrophobicContact CD2-CG2 4.36Å; L35-E95 HydrophobicContact CD1-CG 4.16Å; L35-E95 HydrophobicContact CD2-CG 4.35Å; L35-L98 HydrophobicContact CD2-CD1 3.95Å; L35-L98 HydrophobicContact CD2-CG 4.41Å
36G89.4Confident93.6Very high43 Ų4359 Ų5944%0.44331%0.313SS..THydrogen-bonded Turntrans75.3-3.8-178.800000115.3N92 I93G36-N92 WeakPolarHBondContact CA-OD1 3.46Å; G36-I93 PolarHBondContact N-O 2.88Å
37K92.8Very high93.5Very high116 Ų11655.4 Ų55.450%0.50429%0.289SS..SBendtrans-94167.2172-68.1-165.9177.9170.40111.3E34 L35 I93E34-K37 HydrophobicContact CB-CD 4.07Å; E34-K37 HydrophobicContact CB-CG 4.3Å; E34-K37 PolarHBondContact O-N 2.94Å; E34-K37 WeakPolarHBondContact OE2-CD 3.35Å; E34-K37 WeakPolarHBondContact OE2-CE 3.32Å; E34-K37 IonicContact OE2-NZ 2.83Å; E34-K37 PolarHBondContact OE2-NZ 3.38Å; L35-K37 PolarHBondContact O-N 3.33Å; K37-I93 WeakPolarHBondContact O-CB 3.44Å; K37-I93 VanDerWaalsContact O-CD1 3.25Å; K37-I93 WeakPolarHBondContact O-CD1 3.49Å; K37-I93 WeakPolarHBondContact O-CG1 3.49Å; K37-I93 PolarHBondContact O-N 3.46Å
38N93.8Very high93.3Very high100 Ų10051.1 Ų51.154%0.53527%0.272SS..  trans-97.1144.5175.5-58.3-3.1000109.7I90 E91 N92N38-I90 CarbonylContact C-O 3.6Å; N38-I90 VanDerWaalsContact CA-O 3.29Å; N38-I90 WeakPolarHBondContact CA-O 3.27Å; N38-E91 WeakPolarHBondContact OD1-CA 3.33Å; N38-N92 PolarHBondContact OD1-N 2.92Å
39V94.9Very high92.9Very high18 Ų1853.3 Ų53.311%0.10928%0.28CS..EExtended strand (participates in β ladder)trans-125147.9173.967.50000110.4V31 V33 L41 R89 I90 I93 L119V31-V39 HydrophobicContact CG1-CG2 4.1Å; V33-V39 HydrophobicContact CG1-CB 3.97Å; V33-V39 HydrophobicContact CG1-CG1 4.27Å; V33-V39 HydrophobicContact CG1-CG2 3.82Å; V39-L41 HydrophobicContact CG2-CD2 4.19Å; V39-R89 WeakPolarHBondContact O-CA 2.99Å; V39-I90 HydrophobicContact CG1-CB 3.86Å; V39-I90 HydrophobicContact CG1-CD1 4.23Å; V39-I90 HydrophobicContact CG1-CG1 4.44Å; V39-I90 PolarHBondContact N-O 2.98Å; V39-I90 PolarHBondContact O-N 3.13Å; V39-I93 HydrophobicContact CB-CD1 3.67Å; V39-I93 HydrophobicContact CG1-CD1 3.49Å; V39-I93 VanDerWaalsContact CG1-CD1 3.49Å; V39-I93 HydrophobicContact CG1-CG1 4.15Å; V39-L119 HydrophobicContact CG1-CD1 4.22Å; V39-L119 HydrophobicContact CG1-CD2 4.23Å
40R95.4Very high92.6Very high162 Ų16258.2 Ų58.261%0.61130%0.301SS*.EExtended strand (participates in β ladder)trans-120114.3174.5-66.417975.9-154.6-0.5108.7E70 V87 L88 R89R40-E70 IonicContact CZ-OE1 3.88Å; R40-E70 IonicContact CZ-OE2 2.91Å; R40-E70 IonicContact NE-OE1 3.67Å; R40-E70 PolarHBondContact NE-OE1 3.34Å; R40-E70 VanDerWaalsContact NE-OE1 3.13Å; R40-E70 IonicContact NE-OE2 3.48Å; R40-E70 IonicContact NH2-OE1 2.7Å; R40-E70 PolarHBondContact NH2-OE1 2.58Å; R40-E70 IonicContact NH2-OE2 3.69Å; R40-E70 PolarHBondContact NH2-OE2 2.8Å; R40-V87 HydrophobicContact CB-CG1 3.91Å; R40-V87 HydrophobicContact CG-CG1 4.39Å; R40-L88 WeakPolarHBondContact CA-O 3.44Å; R40-R89 HydrophobicContact CG-CB 4.47Å; R40-R89 HydrophobicContact CG-CG 4.23Å
41L95.2Very high92.5Very high4 Ų452.8 Ų52.82%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-93.9115.4175.7-57.4178.9000108.3V31 V39 W55 V87 L88 I90 Y102 F117 L119V31-L41 HydrophobicContact CB-CD2 4.32Å; V31-L41 HydrophobicContact CG1-CD2 4.25Å; V31-L41 HydrophobicContact CG2-CD2 3.9Å; V39-L41 HydrophobicContact CG2-CD2 4.19Å; L41-W55 HydrophobicContact CB-CH2 3.69Å; L41-W55 HydrophobicContact CB-CZ2 4.1Å; L41-W55 HydrophobicContact CB-CZ3 4.44Å; L41-W55 HydrophobicContact CD1-CH2 4.47Å; L41-W55 HydrophobicContact CD1-CZ3 4.46Å; L41-W55 WeakPolarHBondContact O-CZ2 3.4Å; L41-V87 CarbonylContact O-C 3.57Å; L41-V87 VanDerWaalsContact O-CA 3.29Å; L41-V87 WeakPolarHBondContact O-CA 3.26Å; L41-L88 HydrophobicContact CB-CB 4.31Å; L41-L88 HydrophobicContact CD1-CD2 4.47Å; L41-L88 PolarHBondContact N-O 2.93Å; L41-L88 PolarHBondContact O-N 2.89Å; L41-I90 HydrophobicContact CD1-CD1 4.01Å; L41-Y102 HydrophobicContact CD1-CD2 4.43Å; L41-Y102 HydrophobicContact CD1-CG 4.2Å; L41-F117 HydrophobicContact CD1-CB 4Å; L41-F117 HydrophobicContact CD1-CG 4.38Å; L41-F117 HydrophobicContact CD2-CD1 4.13Å; L41-L119 HydrophobicContact CD1-CD2 4.37Å; L41-L119 HydrophobicContact CD2-CD2 4.04Å
42N95.6Very high92.5Very high84 Ų8454.7 Ų54.745%0.44929%0.288SS..EExtended strand (participates in β ladder)trans-95.9125.1177.6-1682.5000110.4S85 V87N42-S85 PolarHBondContact OD1-OG 2.88Å; N42-V87 HydrophobicContact CB-CG2 4.32Å
43C95.6Very high92.6Very high0 Ų051.8 Ų51.80%026%0.264CS..EExtended strand (participates in β ladder)trans-115.7126.2170.2-173.10000109.5I53 W55 S85 K86 C104C43-I53 HydrophobicContact CB-CD1 4.36Å; C43-W55 HydrophobicContact CB-CH2 3.99Å; C43-W55 HydrophobicContact CB-CZ2 3.39Å; C43-S85 CarbonylContact O-C 3.49Å; C43-S85 VanDerWaalsContact O-CA 3.3Å; C43-S85 WeakPolarHBondContact O-CA 3.45Å; C43-S85 PolarHBondContact O-OG 2.81Å; C43-K86 PolarHBondContact N-O 3.14Å; C43-K86 PolarHBondContact O-N 2.88Å; C43-C104 HydrophobicContact CB-CB 3.61Å; C43-C104 WeakPolarHBondContact CB-SG 3.34Å; C43-C104 WeakPolarHBondContact SG-CB 3.5Å; C43-C104 CovalentContact SG-SG 2.02Å; C43-C104 PolarHBondContact SG-SG 3.13Å
44S95.6Very high92.6Very high22 Ų2255.3 Ų55.315%0.15428%0.277CS..EExtended strand (participates in β ladder)trans-123.9144.4179.2-49.70000109.9L24 A84 S85L24-S44 PolarHBondContact N-O 2.9Å; S44-A84 CarbonylContact C-O 3.58Å; S44-A84 VanDerWaalsContact CA-O 3.25Å; S44-A84 WeakPolarHBondContact CA-O 3.25Å; S44-S85 PolarHBondContact OG-OG 3.22Å
45A95.2Very high92.8Very high0 Ų053.9 Ų53.90%027%0.27CS..EExtended strand (participates in β ladder)trans-141.8147.3-173.100000110.7V22 L23 L47 I53 H83 A84 V106V22-A45 WeakPolarHBondContact O-CA 3.44Å; L23-A45 HydrophobicContact CD2-CB 3.65Å; A45-L47 HydrophobicContact CB-CD2 4.07Å; A45-I53 HydrophobicContact CB-CD1 4.15Å; A45-H83 WeakPolarHBondContact O-CA 3.35Å; A45-A84 PolarHBondContact N-O 3.3Å; A45-A84 PolarHBondContact O-N 2.79Å; A45-V106 HydrophobicContact CB-CB 4.44Å; A45-V106 HydrophobicContact CB-CG2 4.43Å
46L92.8Very high92.7Very high47 Ų4754.1 Ų54.125%0.24627%0.27CS..EExtended strand (participates in β ladder)trans-98.2118.9163.5-164.973.4000107.7I19 P21 V22 T77 K81 W82I19-L46 HydrophobicContact CD1-CB 4.49Å; I19-L46 HydrophobicContact CD1-CD2 4.01Å; I19-L46 HydrophobicContact CD1-CG 3.8Å; P21-L46 VanDerWaalsContact CA-O 3.31Å; P21-L46 WeakPolarHBondContact CA-O 3.23Å; V22-L46 PolarHBondContact N-O 3.11Å; V22-L46 PolarHBondContact O-N 2.81Å; L46-T77 HydrophobicContact CD1-CG2 4.28Å; L46-K81 HydrophobicContact CD1-CB 3.93Å; L46-K81 HydrophobicContact CD1-CD 4.45Å; L46-K81 HydrophobicContact CD2-CD 3.86Å; L46-K81 HydrophobicContact CG-CB 4.35Å; L46-K81 HydrophobicContact CG-CD 4.36Å; L46-W82 WeakPolarHBondContact CA-O 3.37Å
47L91.9Very high92.5Very high0 Ų053.3 Ų53.30%025%0.254CS..EExtended strand (participates in β ladder)trans-145.6172.4-170.657.674.7000112.3P21 A45 D51 I53 W82 A84 V106P21-L47 HydrophobicContact CB-CB 4.14Å; A45-L47 HydrophobicContact CB-CD2 4.07Å; L47-D51 HydrophobicContact CB-CB 3.8Å; L47-D51 HydrophobicContact CD1-CB 4.13Å; L47-D51 HydrophobicContact CD2-CB 4.31Å; L47-D51 HydrophobicContact CG-CB 4.3Å; L47-I53 HydrophobicContact CD2-CB 4.3Å; L47-I53 HydrophobicContact CD2-CG2 4.41Å; L47-W82 HydrophobicContact CD1-CB 3.95Å; L47-W82 PolarHBondContact N-O 2.52Å; L47-W82 WeakPolarHBondContact O-CB 3.25Å; L47-W82 PolarHBondContact O-N 2.94Å; L47-W82 VanDerWaalsContact O-N 3.14Å; L47-A84 HydrophobicContact CD1-CB 4.04Å; L47-A84 HydrophobicContact CD2-CB 3.54Å; L47-A84 HydrophobicContact CG-CB 3.87Å; L47-V106 HydrophobicContact CB-CG2 4.07Å; L47-V106 HydrophobicContact CD2-CG2 3.64Å
48N89.6Confident91.4Very high19 Ų1950.9 Ų50.910%0.10226%0.262CS..  trans-87.4169.7173.9-52.1-68.1000111.5N18 I19 E50 D51N18-N48 WeakPolarHBondContact CA-OD1 3.38Å; I19-N48 VanDerWaalsContact CG1-OD1 3.31Å; I19-N48 WeakPolarHBondContact CG1-OD1 3.31Å; I19-N48 PolarHBondContact N-OD1 3.33Å; I19-N48 PolarHBondContact O-ND2 3.44Å; N48-E50 VanDerWaalsContact C-N 3.3Å; N48-E50 PolarHBondContact O-N 2.85Å; N48-D51 WeakPolarHBondContact CB-OD2 3.31Å; N48-D51 PolarHBondContact N-OD2 2.87Å; N48-D51 PolarHBondContact ND2-OD2 2.97Å; N48-D51 WeakPolarHBondContact O-CB 3.3Å; N48-D51 PolarHBondContact O-N 3.04Å
49E85.6Confident89.9Confident128 Ų12852.3 Ų52.360%0.59827%0.265SS*.THydrogen-bonded Turntrans-59.2-39.5-177.8-169.5176.7174.600113.4D51 R74E49-D51 VanDerWaalsContact C-N 3.34Å; E49-R74 PolarHBondContact O-NH1 3.14Å
50E86.9Confident88.2Confident136 Ų13660.5 Ų60.564%0.63630%0.302SS*.THydrogen-bonded Turntrans-86.2-5.3-176.3-62.7177.3-168.200113.2R16 N48R16-E50 IonicContact CZ-OE1 2.85Å; R16-E50 IonicContact NH1-OE1 2.65Å; R16-E50 PolarHBondContact NH1-OE1 2.89Å; N48-E50 VanDerWaalsContact C-N 3.3Å; N48-E50 PolarHBondContact O-N 2.85Å
51D91.8Very high86.2Confident7 Ų760.7 Ų60.74%0.03732%0.316CS..  trans-77.1154.9-176.8-64.1-9.2000111.6L47 N48 E49 R74 S108L47-D51 HydrophobicContact CB-CB 3.8Å; L47-D51 HydrophobicContact CD1-CB 4.13Å; L47-D51 HydrophobicContact CD2-CB 4.31Å; L47-D51 HydrophobicContact CG-CB 4.3Å; N48-D51 WeakPolarHBondContact CB-OD2 3.31Å; N48-D51 PolarHBondContact N-OD2 2.87Å; N48-D51 PolarHBondContact ND2-OD2 2.97Å; N48-D51 WeakPolarHBondContact O-CB 3.3Å; N48-D51 PolarHBondContact O-N 3.04Å; E49-D51 VanDerWaalsContact C-N 3.34Å; D51-R74 PolarHBondContact O-NH2 2.98Å; D51-S108 VanDerWaalsContact CG-OG 3.24Å; D51-S108 WeakPolarHBondContact OD1-CB 3.24Å; D51-S108 PolarHBondContact OD1-OG 2.78Å; D51-S108 WeakPolarHBondContact OD2-CB 3.46Å; D51-S108 PolarHBondContact OD2-OG 3.15Å
52V92.7Very high84.4Confident76 Ų7662.7 Ų62.746%0.46134%0.337SS..EExtended strand (participates in β ladder)trans-123.2134-176.5-175.50000110.6Y54 V106 A107V52-Y54 HydrophobicContact CG1-CD1 4.33Å; V52-V106 WeakPolarHBondContact O-CA 3.46Å; V52-A107 PolarHBondContact N-O 2.9Å; V52-A107 PolarHBondContact O-N 2.94Å
53I95.1Very high83.1Confident0 Ų062.9 Ų62.90%035%0.345CS..EExtended strand (participates in β ladder)trans-110.3129.9170.5-178.9176.8000109.4C43 A45 L47 E72 A84 K86 T105C43-I53 HydrophobicContact CB-CD1 4.36Å; A45-I53 HydrophobicContact CB-CD1 4.15Å; L47-I53 HydrophobicContact CD2-CB 4.3Å; L47-I53 HydrophobicContact CD2-CG2 4.41Å; I53-E72 HydrophobicContact CG2-CG 3.82Å; I53-E72 VanDerWaalsContact CG2-OE1 3.25Å; I53-E72 WeakPolarHBondContact CG2-OE1 3.46Å; I53-A84 HydrophobicContact CG2-CB 4.1Å; I53-K86 HydrophobicContact CD1-CB 4.04Å; I53-K86 HydrophobicContact CG1-CB 4.23Å; I53-K86 HydrophobicContact CG2-CB 4.24Å; I53-K86 HydrophobicContact CG2-CD 4.37Å; I53-K86 VanDerWaalsContact O-CD 3.26Å; I53-K86 WeakPolarHBondContact O-CD 2.99Å; I53-K86 PolarHBondContact O-NZ 2.94Å; I53-T105 WeakPolarHBondContact CA-O 3.48Å
54Y93.2Very high82.1Confident82 Ų8264.8 Ų64.832%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-147.1156.3-179.163.4-85000111.9V52 M56 T105 A107V52-Y54 HydrophobicContact CG1-CD1 4.33Å; Y54-M56 HydrophobicContact CD2-CG 3.88Å; Y54-M56 HydrophobicContact CE2-CG 3.51Å; Y54-M56 HydrophobicContact CE2-SD 3.84Å; Y54-T105 HydrophobicContact CE1-CG2 4.19Å; Y54-T105 PolarHBondContact N-O 3.39Å; Y54-T105 PolarHBondContact O-N 3Å; Y54-A107 HydrophobicContact CE1-CB 4.1Å
55W94.1Very high81.3Confident14 Ų1468.5 Ų68.55%0.05338%0.378CS..EExtended strand (participates in β ladder)trans-95.6137.6172.7-72.293.4000111L41 C43 F57 E69 K86 L88 N103 C104 F117L41-W55 HydrophobicContact CB-CH2 3.69Å; L41-W55 HydrophobicContact CB-CZ2 4.1Å; L41-W55 HydrophobicContact CB-CZ3 4.44Å; L41-W55 HydrophobicContact CD1-CH2 4.47Å; L41-W55 HydrophobicContact CD1-CZ3 4.46Å; L41-W55 WeakPolarHBondContact O-CZ2 3.4Å; C43-W55 HydrophobicContact CB-CH2 3.99Å; C43-W55 HydrophobicContact CB-CZ2 3.39Å; W55-F57 HydrophobicContact CB-CD1 3.95Å; W55-F57 HydrophobicContact CB-CE1 4.11Å; W55-E69 HydrophobicContact CB-CG 4.5Å; W55-E69 VanDerWaalsContact CD1-OE1 3.28Å; W55-E69 PolarHBondContact N-OE1 2.77Å; W55-K86 PolarHBondContact NE1-O 2.84Å; W55-L88 HydrophobicContact CB-CD1 4.11Å; W55-L88 HydrophobicContact CB-CD2 4.49Å; W55-L88 HydrophobicContact CD2-CB 3.72Å; W55-L88 HydrophobicContact CD2-CD2 4.06Å; W55-L88 HydrophobicContact CD2-CG 4.34Å; W55-L88 HydrophobicContact CE3-CB 4.17Å; W55-L88 HydrophobicContact CE3-CD2 3.86Å; W55-L88 HydrophobicContact CG-CB 4.01Å; W55-L88 HydrophobicContact CG-CD1 4.11Å; W55-L88 HydrophobicContact CG-CD2 4.36Å; W55-L88 HydrophobicContact CG-CG 4.4Å; W55-L88 HydrophobicContact CH2-CB 4.39Å; W55-L88 HydrophobicContact CZ2-CB 3.98Å; W55-L88 HydrophobicContact CZ3-CB 4.49Å; W55-L88 HydrophobicContact CZ3-CD2 4.36Å; W55-N103 CarbonylContact C-O 3.59Å; W55-N103 WeakPolarHBondContact CA-O 3.37Å; W55-C104 HydrophobicContact CD2-CB 4.1Å; W55-C104 HydrophobicContact CE3-CB 3.89Å; W55-C104 HydrophobicContact CH2-CB 3.97Å; W55-C104 HydrophobicContact CZ2-CB 4.17Å; W55-C104 HydrophobicContact CZ3-CB 3.82Å; W55-F117 AromaticContact CH2-CD2 3.56Å; W55-F117 HydrophobicContact CH2-CD2 3.56Å; W55-F117 AromaticContact CH2-CE2 3.44Å; W55-F117 HydrophobicContact CH2-CE2 3.44Å; W55-F117 VanDerWaalsContact CH2-CE2 3.44Å; W55-F117 HydrophobicContact CH2-CG 4.31Å; W55-F117 HydrophobicContact CH2-CZ 4.1Å; W55-F117 HydrophobicContact CZ2-CE2 4.47Å; W55-F117 AromaticContact CZ3-CD2 3.6Å; W55-F117 HydrophobicContact CZ3-CD2 3.6Å; W55-F117 AromaticContact CZ3-CE2 3.89Å; W55-F117 HydrophobicContact CZ3-CE2 3.89Å; W55-F117 HydrophobicContact CZ3-CG 4.41Å
56M89.6Confident81Confident79 Ų7971 Ų7139%0.38939%0.392SS..EExtended strand (participates in β ladder)trans-111.1111.4165.5-61.4-176.1-60.100107.4Y54 N103 T105Y54-M56 HydrophobicContact CD2-CG 3.88Å; Y54-M56 HydrophobicContact CE2-CG 3.51Å; Y54-M56 HydrophobicContact CE2-SD 3.84Å; M56-N103 HydrophobicContact CB-CB 4.21Å; M56-N103 HydrophobicContact CE-CB 3.84Å; M56-N103 PolarHBondContact N-O 2.98Å; M56-N103 PolarHBondContact O-N 3.34Å; M56-T105 VanDerWaalsContact CE-OG1 3.32Å; M56-T105 WeakPolarHBondContact CE-OG1 3.48Å
57F85.1Confident80.8Confident26 Ų2669.7 Ų69.711%0.11439%0.385CS..  trans-123.7139.9169.946.6-88.6000105.8W55 E59 I67 L88 Y102W55-F57 HydrophobicContact CB-CD1 3.95Å; W55-F57 HydrophobicContact CB-CE1 4.11Å; F57-E59 VanDerWaalsContact C-N 3.35Å; F57-E59 HydrophobicContact CD2-CG 4.34Å; F57-E59 HydrophobicContact CE2-CG 4.12Å; F57-E59 PolarHBondContact O-N 2.77Å; F57-I67 HydrophobicContact CB-CD1 4.46Å; F57-I67 HydrophobicContact CD1-CG2 4.14Å; F57-I67 HydrophobicContact CD2-CB 4.43Å; F57-I67 HydrophobicContact CD2-CD1 4.18Å; F57-I67 HydrophobicContact CD2-CG2 3.87Å; F57-I67 HydrophobicContact CE1-CG2 4.26Å; F57-I67 HydrophobicContact CE2-CB 4.48Å; F57-I67 HydrophobicContact CE2-CG2 3.98Å; F57-I67 HydrophobicContact CG-CG2 3.95Å; F57-I67 HydrophobicContact CZ-CG2 4.18Å; F57-L88 HydrophobicContact CD1-CD1 3.81Å; F57-L88 HydrophobicContact CD1-CD2 4.15Å; F57-L88 HydrophobicContact CE1-CD1 3.78Å; F57-Y102 HydrophobicContact CB-CD1 3.82Å; F57-Y102 HydrophobicContact CB-CE1 4.07Å
58G69.9Low80.8Confident64 Ų6473 Ų7366%0.6640%0.4SS*.  trans-57.388.3-166.300000114.3E60G58-E60 PolarHBondContact O-N 2.86Å
59E61.8Low80.9Confident130 Ų13075.9 Ų75.961%0.60741%0.413SS*.G310 helixtrans-74.1-5173.2-74.5-179.5176.400112.4F57 N61 G62F57-E59 VanDerWaalsContact C-N 3.35Å; F57-E59 HydrophobicContact CD2-CG 4.34Å; F57-E59 HydrophobicContact CE2-CG 4.12Å; F57-E59 PolarHBondContact O-N 2.77Å; E59-N61 PolarHBondContact O-N 3.48Å; E59-N61 VanDerWaalsContact O-N 3.13Å; E59-G62 PolarHBondContact O-N 2.91Å
60E58.8Low81.3Confident191 Ų19171.8 Ų71.889%0.89339%0.394SS*.G310 helixtrans-55.6-30.5180-108-176.2165.300113.3G58G58-E60 PolarHBondContact O-N 2.86Å
61N54.4Low81.5Confident166 Ų16674.8 Ų74.889%0.88841%0.405SS*.G310 helixtrans-103.514179.5-69-29.5000113.6E59E59-N61 PolarHBondContact O-N 3.48Å; E59-N61 VanDerWaalsContact O-N 3.13Å
62G57.7Low81.6Confident45 Ų4576.7 Ų76.746%0.46441%0.414SS..  trans99.4150.3-174.200000112.5E59 D64E59-G62 PolarHBondContact O-N 2.91Å; G62-D64 PolarHBondContact O-N 2.98Å
63S67.2Low81.6Confident88 Ų8878.6 Ų78.662%0.61542%0.419SS*.  trans-60.2110174177.40000109.3P65S63-P65 WeakPolarHBondContact O-CD 3.35Å
64D74.5Confident81.5Confident41 Ų4182.9 Ų82.922%0.21944%0.435CS..  trans-63.2117.7172-171.2-19.4000108.1G62 N66 I67 N97G62-D64 PolarHBondContact O-N 2.98Å; D64-N66 PolarHBondContact O-N 2.79Å; D64-N66 WeakPolarHBondContact OD1-CB 3.49Å; D64-N66 PolarHBondContact OD1-N 2.88Å; D64-N66 VanDerWaalsContact OD1-N 3.13Å; D64-N66 PolarHBondContact OD1-ND2 2.67Å; D64-I67 HydrophobicContact CB-CD1 3.83Å; D64-I67 HydrophobicContact CB-CG1 4Å; D64-I67 PolarHBondContact O-N 2.99Å; D64-I67 VanDerWaalsContact O-N 3.1Å; D64-N97 PolarHBondContact OD2-ND2 2.8Å
65P79.8Confident81.5Confident99 Ų9983.7 Ų83.764%0.64344%0.444SS*.THydrogen-bonded Turntrans-63.2-12.2-177.427.5-36.3000112.9S63 H68S63-P65 WeakPolarHBondContact O-CD 3.35Å; P65-H68 PolarHBondContact O-CE1 2.93Å; P65-H68 PolarHBondContact O-NE2 3.3Å
66N87.8Confident81.3Confident54 Ų5488.8 Ų88.829%0.28947%0.47SS..THydrogen-bonded Turntrans-83.9-15.2179.7-58.7-37.7000113.1D64 H68 E91D64-N66 PolarHBondContact O-N 2.79Å; D64-N66 WeakPolarHBondContact OD1-CB 3.49Å; D64-N66 PolarHBondContact OD1-N 2.88Å; D64-N66 VanDerWaalsContact OD1-N 3.13Å; D64-N66 PolarHBondContact OD1-ND2 2.67Å; N66-H68 PolarHBondContact O-ND1 2.82Å; N66-E91 WeakPolarHBondContact CB-O 3.32Å; N66-E91 PolarHBondContact O-N 2.71Å
67I90.1Very high81.1Confident19 Ų1986.2 Ų86.210%0.09746%0.458CS..EExtended strand (participates in β ladder)trans-100.3124.4-175.5-56.5176.3000109.7F57 D64 L88 I90 Y102F57-I67 HydrophobicContact CB-CD1 4.46Å; F57-I67 HydrophobicContact CD1-CG2 4.14Å; F57-I67 HydrophobicContact CD2-CB 4.43Å; F57-I67 HydrophobicContact CD2-CD1 4.18Å; F57-I67 HydrophobicContact CD2-CG2 3.87Å; F57-I67 HydrophobicContact CE1-CG2 4.26Å; F57-I67 HydrophobicContact CE2-CB 4.48Å; F57-I67 HydrophobicContact CE2-CG2 3.98Å; F57-I67 HydrophobicContact CG-CG2 3.95Å; F57-I67 HydrophobicContact CZ-CG2 4.18Å; D64-I67 HydrophobicContact CB-CD1 3.83Å; D64-I67 HydrophobicContact CB-CG1 4Å; D64-I67 PolarHBondContact O-N 2.99Å; D64-I67 VanDerWaalsContact O-N 3.1Å; I67-L88 HydrophobicContact CG2-CD1 3.64Å; I67-L88 HydrophobicContact CG2-CD2 4.23Å; I67-L88 HydrophobicContact CG2-CG 4.04Å; I67-I90 HydrophobicContact CG1-CG1 4.31Å; I67-I90 HydrophobicContact CG1-CG2 4.3Å; I67-I90 HydrophobicContact CG2-CG1 4.41Å; I67-Y102 HydrophobicContact CD1-CE1 3.97Å
68H91.3Very high81.1Confident70 Ų7091.1 Ų91.132%0.32449%0.493SS..EExtended strand (participates in β ladder)trans-130122.3-176.1-59.987.7000110.6P65 N66 R89 E91P65-H68 PolarHBondContact O-CE1 2.93Å; P65-H68 PolarHBondContact O-NE2 3.3Å; N66-H68 PolarHBondContact O-ND1 2.82Å; H68-R89 HydrophobicContact CB-CB 4.46Å; H68-R89 PolarHBondContact N-O 2.86Å; H68-R89 PolarHBondContact O-N 2.83Å; H68-E91 IonicContact ND1-OE1 2.89Å
69E91.9Very high81.5Confident79 Ų7994.5 Ų94.537%0.36949%0.491SS..EExtended strand (participates in β ladder)trans-83.3120.3171.2-155-178.8-157.900109.7W55 K86 L88W55-E69 HydrophobicContact CB-CG 4.5Å; W55-E69 VanDerWaalsContact CD1-OE1 3.28Å; W55-E69 PolarHBondContact N-OE1 2.77Å; E69-K86 HydrophobicContact CG-CD 4.21Å; E69-K86 HydrophobicContact CG-CG 4.35Å; E69-K86 VanDerWaalsContact OE1-CD 3.23Å; E69-K86 WeakPolarHBondContact OE1-CD 3.47Å; E69-K86 WeakPolarHBondContact OE1-CE 2.96Å; E69-K86 IonicContact OE1-NZ 2.67Å; E69-K86 PolarHBondContact OE1-NZ 2.74Å; E69-K86 WeakPolarHBondContact OE2-CE 3.23Å; E69-K86 IonicContact OE2-NZ 3.22Å; E69-K86 PolarHBondContact OE2-NZ 3.18Å; E69-L88 HydrophobicContact CB-CD1 4.32Å; E69-L88 HydrophobicContact CG-CD1 4.42Å
70E92.9Very high82.3Confident42 Ų4290.7 Ų90.720%0.19649%0.487CS..PPolyproline II helixtrans-77.8158.8177.1-65.6-177.6-168.900111.3R40 E72 V87 R89R40-E70 IonicContact CZ-OE1 3.88Å; R40-E70 IonicContact CZ-OE2 2.91Å; R40-E70 IonicContact NE-OE1 3.67Å; R40-E70 PolarHBondContact NE-OE1 3.34Å; R40-E70 VanDerWaalsContact NE-OE1 3.13Å; R40-E70 IonicContact NE-OE2 3.48Å; R40-E70 IonicContact NH2-OE1 2.7Å; R40-E70 PolarHBondContact NH2-OE1 2.58Å; R40-E70 IonicContact NH2-OE2 3.69Å; R40-E70 PolarHBondContact NH2-OE2 2.8Å; E70-E72 PolarHBondContact O-N 2.79Å; E70-V87 HydrophobicContact CB-CB 4.12Å; E70-V87 WeakPolarHBondContact CB-O 3.25Å; E70-V87 HydrophobicContact CG-CB 4.31Å; E70-V87 HydrophobicContact CG-CG1 4.46Å; E70-V87 PolarHBondContact N-O 2.95Å; E70-R89 HydrophobicContact CG-CB 4.45Å; E70-R89 IonicContact OE1-CZ 2.74Å; E70-R89 IonicContact OE1-NH1 3.97Å; E70-R89 PolarHBondContact OE1-NH1 2.74Å
71K92.2Very high83.5Confident199 Ų19985.6 Ų85.687%0.86546%0.462SS*.PPolyproline II helixtrans-59.1132.8177.2-173.6177.6178.7179.90110.4
72E93Very high85.2Confident47 Ų4780.9 Ų80.922%0.2243%0.432CS..PPolyproline II helixtrans-62.9137.7175.4-171.9-174.416100111.6I53 E70 R74 K86I53-E72 HydrophobicContact CG2-CG 3.82Å; I53-E72 VanDerWaalsContact CG2-OE1 3.25Å; I53-E72 WeakPolarHBondContact CG2-OE1 3.46Å; E70-E72 PolarHBondContact O-N 2.79Å; E72-R74 HydrophobicContact CG-CG 4.37Å; E72-R74 IonicContact OE1-CZ 2.85Å; E72-R74 IonicContact OE1-NE 3.48Å; E72-R74 PolarHBondContact OE1-NE 2.84Å; E72-R74 IonicContact OE1-NH2 2.52Å; E72-R74 PolarHBondContact OE1-NH2 2.92Å; E72-R74 IonicContact OE2-NE 2.91Å; E72-R74 IonicContact OE2-NH2 2.8Å; E72-R74 PolarHBondContact OE2-NH2 2.02Å; E72-K86 HydrophobicContact CB-CD 4.46Å; E72-K86 HydrophobicContact CB-CG 4.39Å
73M93.3Very high86.9Confident116 Ų11681.4 Ų81.457%0.57142%0.422SS*.EExtended strand (participates in β ladder)trans-111.8128.3174.8-167.6-171.7-2900109.4I75 A84 S85M73-I75 HydrophobicContact SD-CD1 4.37Å; M73-A84 CarbonylContact O-C 3.58Å; M73-A84 VanDerWaalsContact O-CA 3.31Å; M73-A84 WeakPolarHBondContact O-CA 3.16Å; M73-S85 PolarHBondContact N-O 2.92Å; M73-S85 PolarHBondContact O-N 2.82Å
74R93.8Very high88.2Confident90 Ų9077.2 Ų77.234%0.3439%0.393SS..EExtended strand (participates in β ladder)trans-122134.9177.7-65.2-176.3180-153.2-9.9110.3E49 D51 E72 W82 H83 A84E49-R74 PolarHBondContact O-NH1 3.14Å; D51-R74 PolarHBondContact O-NH2 2.98Å; E72-R74 HydrophobicContact CG-CG 4.37Å; E72-R74 IonicContact OE1-CZ 2.85Å; E72-R74 IonicContact OE1-NE 3.48Å; E72-R74 PolarHBondContact OE1-NE 2.84Å; E72-R74 IonicContact OE1-NH2 2.52Å; E72-R74 PolarHBondContact OE1-NH2 2.92Å; E72-R74 IonicContact OE2-NE 2.91Å; E72-R74 IonicContact OE2-NH2 2.8Å; E72-R74 PolarHBondContact OE2-NH2 2.02Å; R74-W82 HydrophobicContact CB-CE3 4.01Å; R74-W82 HydrophobicContact CB-CZ3 4.24Å; R74-H83 WeakPolarHBondContact CA-O 3.49Å; R74-A84 HydrophobicContact CG-CB 4.18Å
75I92.8Very high89.2Confident99 Ų9976 Ų7651%0.50839%0.388SS..EExtended strand (participates in β ladder)trans-132.2131.1177-57.7174.7000107.6M73 H83M73-I75 HydrophobicContact SD-CD1 4.37Å; I75-H83 PolarHBondContact N-O 2.66Å; I75-H83 PolarHBondContact O-N 3.38Å
76M90.2Very high90Very high120 Ų12072.4 Ų72.459%0.59136%0.362SS*.EExtended strand (participates in β ladder)trans-78.5128.9173.8-166.7173.172.100109.4W82M76-W82 HydrophobicContact CB-CE3 4.18Å; M76-W82 HydrophobicContact CB-CH2 4.27Å; M76-W82 HydrophobicContact CB-CZ3 4.04Å
77T85.8Confident90.3Very high25 Ų2570.8 Ų70.815%0.15335%0.354CS..  trans-79.4157175.460.90000110.5L46 E79 G80 K81 H83L46-T77 HydrophobicContact CD1-CG2 4.28Å; T77-E79 VanDerWaalsContact CB-OE2 3.23Å; T77-E79 WeakPolarHBondContact CB-OE2 3.14Å; T77-E79 PolarHBondContact O-N 3.06Å; T77-E79 VanDerWaalsContact O-N 3.11Å; T77-E79 PolarHBondContact OG1-OE2 2.91Å; T77-G80 PolarHBondContact O-N 2.7Å; T77-K81 WeakPolarHBondContact CB-O 3.42Å; T77-K81 PolarHBondContact N-O 2.85Å; T77-K81 WeakPolarHBondContact OG1-CA 3.4Å; T77-K81 WeakPolarHBondContact OG1-CB 2.88Å; T77-K81 PolarHBondContact OG1-N 2.78Å; T77-K81 PolarHBondContact OG1-O 2.88Å; T77-H83 HydrophobicContact CG2-CB 3.97Å
78P83.5Confident90.6Very high129 Ų12969.9 Ų69.984%0.83835%0.349SS*.THydrogen-bonded Turntrans-56.4-26.5176.7-23.934.1000113.6G80P78-G80 PolarHBondContact O-N 3.49Å
79E79Confident90.7Very high135 Ų13569.9 Ų69.963%0.63135%0.346SS*.THydrogen-bonded Turntrans-816.2178.7-53.875.6-159.100113.2T77 K81T77-E79 VanDerWaalsContact CB-OE2 3.23Å; T77-E79 WeakPolarHBondContact CB-OE2 3.14Å; T77-E79 PolarHBondContact O-N 3.06Å; T77-E79 VanDerWaalsContact O-N 3.11Å; T77-E79 PolarHBondContact OG1-OE2 2.91Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.2Å
80G78.7Confident90.8Very high50 Ų5066.1 Ų66.152%0.51533%0.329SS..SBendtrans77.410.5-179.700000114.6T77 P78T77-G80 PolarHBondContact O-N 2.7Å; P78-G80 PolarHBondContact O-N 3.49Å
81K82.9Confident90.8Very high85 Ų8567.1 Ų67.137%0.3733%0.333SS..  trans-94.4155.4177.2-55.2174.8-178.7179.40110.9I19 L46 T77 E79I19-K81 HydrophobicContact CD1-CD 4.27Å; I19-K81 HydrophobicContact CG2-CD 4.46Å; L46-K81 HydrophobicContact CD1-CB 3.93Å; L46-K81 HydrophobicContact CD1-CD 4.45Å; L46-K81 HydrophobicContact CD2-CD 3.86Å; L46-K81 HydrophobicContact CG-CB 4.35Å; L46-K81 HydrophobicContact CG-CD 4.36Å; T77-K81 WeakPolarHBondContact CB-O 3.42Å; T77-K81 PolarHBondContact N-O 2.85Å; T77-K81 WeakPolarHBondContact OG1-CA 3.4Å; T77-K81 WeakPolarHBondContact OG1-CB 2.88Å; T77-K81 PolarHBondContact OG1-N 2.78Å; T77-K81 PolarHBondContact OG1-O 2.88Å; E79-K81 VanDerWaalsContact C-N 3.3Å; E79-K81 PolarHBondContact O-N 3.2Å
82W90.6Very high90.8Very high67 Ų6762.3 Ų62.325%0.25432%0.317SS..EExtended strand (participates in β ladder)trans-95127.3176.3-68.694.5000111.5L46 L47 R74 M76L46-W82 WeakPolarHBondContact CA-O 3.37Å; L47-W82 HydrophobicContact CD1-CB 3.95Å; L47-W82 PolarHBondContact N-O 2.52Å; L47-W82 WeakPolarHBondContact O-CB 3.25Å; L47-W82 PolarHBondContact O-N 2.94Å; L47-W82 VanDerWaalsContact O-N 3.14Å; R74-W82 HydrophobicContact CB-CE3 4.01Å; R74-W82 HydrophobicContact CB-CZ3 4.24Å; M76-W82 HydrophobicContact CB-CE3 4.18Å; M76-W82 HydrophobicContact CB-CH2 4.27Å; M76-W82 HydrophobicContact CB-CZ3 4.04Å
83H93.9Very high90.7Very high56 Ų5660.2 Ų60.226%0.25931%0.307SS..EExtended strand (participates in β ladder)trans-99.8110.7168.5179.9-85.7000108.8L24 A45 R74 I75 T77L24-H83 WeakPolarHBondContact CD1-NE2 3.31Å; A45-H83 WeakPolarHBondContact O-CA 3.35Å; R74-H83 WeakPolarHBondContact CA-O 3.49Å; I75-H83 PolarHBondContact N-O 2.66Å; I75-H83 PolarHBondContact O-N 3.38Å; T77-H83 HydrophobicContact CG2-CB 3.97Å
84A94.6Very high90.6Very high0 Ų055.8 Ų55.80%029%0.292CS..EExtended strand (participates in β ladder)trans-104.3144.9178.400000111S44 A45 L47 I53 M73 R74S44-A84 CarbonylContact C-O 3.58Å; S44-A84 VanDerWaalsContact CA-O 3.25Å; S44-A84 WeakPolarHBondContact CA-O 3.25Å; A45-A84 PolarHBondContact N-O 3.3Å; A45-A84 PolarHBondContact O-N 2.79Å; L47-A84 HydrophobicContact CD1-CB 4.04Å; L47-A84 HydrophobicContact CD2-CB 3.54Å; L47-A84 HydrophobicContact CG-CB 3.87Å; I53-A84 HydrophobicContact CG2-CB 4.1Å; M73-A84 CarbonylContact O-C 3.58Å; M73-A84 VanDerWaalsContact O-CA 3.31Å; M73-A84 WeakPolarHBondContact O-CA 3.16Å; R74-A84 HydrophobicContact CG-CB 4.18Å
85S95.3Very high90.3Very high15 Ų1558 Ų5811%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-136.2130.2175.1-148.90000109.7N42 C43 S44 M73N42-S85 PolarHBondContact OD1-OG 2.88Å; C43-S85 CarbonylContact O-C 3.49Å; C43-S85 VanDerWaalsContact O-CA 3.3Å; C43-S85 WeakPolarHBondContact O-CA 3.45Å; C43-S85 PolarHBondContact O-OG 2.81Å; S44-S85 PolarHBondContact OG-OG 3.22Å; M73-S85 PolarHBondContact N-O 2.92Å; M73-S85 PolarHBondContact O-N 2.82Å
86K95.7Very high90Very high24 Ų2457.7 Ų57.710%0.10431%0.312CS..EExtended strand (participates in β ladder)trans-131.6128.7176.6-156.5173.3-163.4-167.30109.8C43 I53 W55 E69 E72C43-K86 PolarHBondContact N-O 3.14Å; C43-K86 PolarHBondContact O-N 2.88Å; I53-K86 HydrophobicContact CD1-CB 4.04Å; I53-K86 HydrophobicContact CG1-CB 4.23Å; I53-K86 HydrophobicContact CG2-CB 4.24Å; I53-K86 HydrophobicContact CG2-CD 4.37Å; I53-K86 VanDerWaalsContact O-CD 3.26Å; I53-K86 WeakPolarHBondContact O-CD 2.99Å; I53-K86 PolarHBondContact O-NZ 2.94Å; W55-K86 PolarHBondContact NE1-O 2.84Å; E69-K86 HydrophobicContact CG-CD 4.21Å; E69-K86 HydrophobicContact CG-CG 4.35Å; E69-K86 VanDerWaalsContact OE1-CD 3.23Å; E69-K86 WeakPolarHBondContact OE1-CD 3.47Å; E69-K86 WeakPolarHBondContact OE1-CE 2.96Å; E69-K86 IonicContact OE1-NZ 2.67Å; E69-K86 PolarHBondContact OE1-NZ 2.74Å; E69-K86 WeakPolarHBondContact OE2-CE 3.23Å; E69-K86 IonicContact OE2-NZ 3.22Å; E69-K86 PolarHBondContact OE2-NZ 3.18Å; E72-K86 HydrophobicContact CB-CD 4.46Å; E72-K86 HydrophobicContact CB-CG 4.39Å
87V95.8Very high89.9Confident19 Ų1952.2 Ų52.212%0.11529%0.286CS..EExtended strand (participates in β ladder)trans-107131.5-174.9178.80000109.7R40 L41 N42 E70R40-V87 HydrophobicContact CB-CG1 3.91Å; R40-V87 HydrophobicContact CG-CG1 4.39Å; L41-V87 CarbonylContact O-C 3.57Å; L41-V87 VanDerWaalsContact O-CA 3.29Å; L41-V87 WeakPolarHBondContact O-CA 3.26Å; N42-V87 HydrophobicContact CB-CG2 4.32Å; E70-V87 HydrophobicContact CB-CB 4.12Å; E70-V87 WeakPolarHBondContact CB-O 3.25Å; E70-V87 HydrophobicContact CG-CB 4.31Å; E70-V87 HydrophobicContact CG-CG1 4.46Å; E70-V87 PolarHBondContact N-O 2.95Å
88L94.8Very high90.1Very high0 Ų052.3 Ų52.30%029%0.285CS..EExtended strand (participates in β ladder)trans-99.6118.2168.6-168.669.6000108.8R40 L41 W55 F57 I67 E69 I90 Y102R40-L88 WeakPolarHBondContact CA-O 3.44Å; L41-L88 HydrophobicContact CB-CB 4.31Å; L41-L88 HydrophobicContact CD1-CD2 4.47Å; L41-L88 PolarHBondContact N-O 2.93Å; L41-L88 PolarHBondContact O-N 2.89Å; W55-L88 HydrophobicContact CB-CD1 4.11Å; W55-L88 HydrophobicContact CB-CD2 4.49Å; W55-L88 HydrophobicContact CD2-CB 3.72Å; W55-L88 HydrophobicContact CD2-CD2 4.06Å; W55-L88 HydrophobicContact CD2-CG 4.34Å; W55-L88 HydrophobicContact CE3-CB 4.17Å; W55-L88 HydrophobicContact CE3-CD2 3.86Å; W55-L88 HydrophobicContact CG-CB 4.01Å; W55-L88 HydrophobicContact CG-CD1 4.11Å; W55-L88 HydrophobicContact CG-CD2 4.36Å; W55-L88 HydrophobicContact CG-CG 4.4Å; W55-L88 HydrophobicContact CH2-CB 4.39Å; W55-L88 HydrophobicContact CZ2-CB 3.98Å; W55-L88 HydrophobicContact CZ3-CB 4.49Å; W55-L88 HydrophobicContact CZ3-CD2 4.36Å; F57-L88 HydrophobicContact CD1-CD1 3.81Å; F57-L88 HydrophobicContact CD1-CD2 4.15Å; F57-L88 HydrophobicContact CE1-CD1 3.78Å; I67-L88 HydrophobicContact CG2-CD1 3.64Å; I67-L88 HydrophobicContact CG2-CD2 4.23Å; I67-L88 HydrophobicContact CG2-CG 4.04Å; E69-L88 HydrophobicContact CB-CD1 4.32Å; E69-L88 HydrophobicContact CG-CD1 4.42Å; L88-I90 HydrophobicContact CD2-CD1 4.33Å; L88-I90 HydrophobicContact CD2-CG1 4.43Å; L88-I90 HydrophobicContact CG-CG1 4.37Å; L88-Y102 HydrophobicContact CD2-CD1 3.73Å; L88-Y102 HydrophobicContact CD2-CE1 4.44Å; L88-Y102 HydrophobicContact CD2-CG 4.41Å
89R94.7Very high90.4Very high70 Ų7052.4 Ų52.426%0.26428%0.278SS..EExtended strand (participates in β ladder)trans-100.2122.2176.2-175.6171.869.9-100.6-4.2109.1V39 R40 H68 E70 E91V39-R89 WeakPolarHBondContact O-CA 2.99Å; R40-R89 HydrophobicContact CG-CB 4.47Å; R40-R89 HydrophobicContact CG-CG 4.23Å; H68-R89 HydrophobicContact CB-CB 4.46Å; H68-R89 PolarHBondContact N-O 2.86Å; H68-R89 PolarHBondContact O-N 2.83Å; E70-R89 HydrophobicContact CG-CB 4.45Å; E70-R89 IonicContact OE1-CZ 2.74Å; E70-R89 IonicContact OE1-NH1 3.97Å; E70-R89 PolarHBondContact OE1-NH1 2.74Å; R89-E91 HydrophobicContact CG-CG 4.13Å; R89-E91 IonicContact CZ-OE1 3.13Å; R89-E91 IonicContact NE-OE1 3.64Å; R89-E91 PolarHBondContact NE-OE1 3.48Å; R89-E91 IonicContact NH2-OE1 3.79Å
90I93.4Very high90.9Very high0 Ų048.4 Ų48.40%026%0.263CS..EExtended strand (participates in β ladder)trans-113.6115.3176.5-55166.1000106.3N38 V39 L41 I67 L88 I93 Y102 L119N38-I90 CarbonylContact C-O 3.6Å; N38-I90 VanDerWaalsContact CA-O 3.29Å; N38-I90 WeakPolarHBondContact CA-O 3.27Å; V39-I90 HydrophobicContact CG1-CB 3.86Å; V39-I90 HydrophobicContact CG1-CD1 4.23Å; V39-I90 HydrophobicContact CG1-CG1 4.44Å; V39-I90 PolarHBondContact N-O 2.98Å; V39-I90 PolarHBondContact O-N 3.13Å; L41-I90 HydrophobicContact CD1-CD1 4.01Å; I67-I90 HydrophobicContact CG1-CG1 4.31Å; I67-I90 HydrophobicContact CG1-CG2 4.3Å; I67-I90 HydrophobicContact CG2-CG1 4.41Å; L88-I90 HydrophobicContact CD2-CD1 4.33Å; L88-I90 HydrophobicContact CD2-CG1 4.43Å; L88-I90 HydrophobicContact CG-CG1 4.37Å; I90-I93 HydrophobicContact CG2-CG1 4.17Å; I90-Y102 HydrophobicContact CD1-CD1 4.03Å; I90-Y102 HydrophobicContact CD1-CD2 4.42Å; I90-Y102 HydrophobicContact CD1-CE1 3.63Å; I90-Y102 HydrophobicContact CD1-CE2 4.05Å; I90-Y102 HydrophobicContact CD1-CG 4.4Å; I90-L119 HydrophobicContact CD1-CD1 3.88Å
91E93.4Very high91.6Very high63 Ų6350.4 Ų50.429%0.29426%0.261SS..  trans-93.5152.4-178.5-58.7-172.9179.400110.5N38 N66 H68 R89 I93N38-E91 WeakPolarHBondContact OD1-CA 3.33Å; N66-E91 WeakPolarHBondContact CB-O 3.32Å; N66-E91 PolarHBondContact O-N 2.71Å; H68-E91 IonicContact ND1-OE1 2.89Å; R89-E91 HydrophobicContact CG-CG 4.13Å; R89-E91 IonicContact CZ-OE1 3.13Å; R89-E91 IonicContact NE-OE1 3.64Å; R89-E91 PolarHBondContact NE-OE1 3.48Å; R89-E91 IonicContact NH2-OE1 3.79Å; E91-I93 PolarHBondContact O-N 2.92Å
92N91.8Very high92.1Very high98 Ų9846.5 Ų46.552%0.52425%0.245SC..SBendtrans44.160.8175.2-169.625.4000114G36 N38 G94G36-N92 WeakPolarHBondContact CA-OD1 3.46Å; N38-N92 PolarHBondContact OD1-N 2.92Å; N92-G94 PolarHBondContact O-N 3.45Å; N92-G94 VanDerWaalsContact O-N 3.13Å
93I91.4Very high92.3Very high3 Ų345.1 Ų45.12%0.01524%0.242CC..  trans-56.7118.9-173.5-64.7161.6000110.9V33 L35 G36 K37 V39 I90 E91 N97 L98V33-I93 HydrophobicContact CB-CD1 3.73Å; V33-I93 HydrophobicContact CG1-CD1 3.9Å; V33-I93 HydrophobicContact CG2-CD1 4.17Å; V33-I93 HydrophobicContact CG2-CG2 4.04Å; L35-I93 WeakPolarHBondContact CA-O 3.38Å; L35-I93 HydrophobicContact CD2-CG2 4.36Å; G36-I93 PolarHBondContact N-O 2.88Å; K37-I93 WeakPolarHBondContact O-CB 3.44Å; K37-I93 VanDerWaalsContact O-CD1 3.25Å; K37-I93 WeakPolarHBondContact O-CD1 3.49Å; K37-I93 WeakPolarHBondContact O-CG1 3.49Å; K37-I93 PolarHBondContact O-N 3.46Å; V39-I93 HydrophobicContact CB-CD1 3.67Å; V39-I93 HydrophobicContact CG1-CD1 3.49Å; V39-I93 VanDerWaalsContact CG1-CD1 3.49Å; V39-I93 HydrophobicContact CG1-CG1 4.15Å; I90-I93 HydrophobicContact CG2-CG1 4.17Å; E91-I93 PolarHBondContact O-N 2.92Å; I93-N97 HydrophobicContact CG2-CB 4.27Å; I93-L98 HydrophobicContact CG2-CD2 4.35Å
94G89.6Confident92.3Very high24 Ų2442.5 Ų42.525%0.24723%0.23CC..  trans-98177.4173.100000112.8N92 S96 N97N92-G94 PolarHBondContact O-N 3.45Å; N92-G94 VanDerWaalsContact O-N 3.13Å; G94-S96 PolarHBondContact O-N 2.9Å; G94-N97 PolarHBondContact N-OD1 2.84Å; G94-N97 PolarHBondContact O-N 2.94Å
95E89.1Confident92.4Very high136 Ų13642.7 Ų42.764%0.63623%0.231SC*.G310 helixtrans-65.5-28.5173.9-64.4-165.7154.900112.4L35 N97 L98 R121L35-E95 HydrophobicContact CD1-CG 4.16Å; L35-E95 HydrophobicContact CD2-CG 4.35Å; E95-N97 PolarHBondContact O-N 2.82Å; E95-L98 PolarHBondContact O-N 2.89Å; E95-R121 IonicContact OE1-NH2 2.81Å; E95-R121 PolarHBondContact OE1-NH2 3.24Å
96S86.6Confident92.4Very high92 Ų9242 Ų4264%0.64323%0.226SC*.G310 helixtrans-64.2-21.4175.552.80000113.8G94 V100G94-S96 PolarHBondContact O-N 2.9Å; S96-V100 VanDerWaalsContact O-CG2 3.26Å; S96-V100 WeakPolarHBondContact O-CG2 3.4Å
97N87.6Confident92.3Very high6 Ų642.2 Ų42.23%0.03223%0.232CC..G310 helixtrans-90.8-11.3179.1-52.7116.5000112.3D64 I93 G94 E95 Y102 L119D64-N97 PolarHBondContact OD2-ND2 2.8Å; I93-N97 HydrophobicContact CG2-CB 4.27Å; G94-N97 PolarHBondContact N-OD1 2.84Å; G94-N97 PolarHBondContact O-N 2.94Å; E95-N97 PolarHBondContact O-N 2.82Å; N97-Y102 WeakPolarHBondContact CB-OH 3.29Å; N97-L119 HydrophobicContact CB-CD1 4.38Å
98L90.6Very high92.1Very high27 Ų2742.4 Ų42.414%0.14124%0.235CC..THydrogen-bonded Turntrans-81.4147.8179.5-62.6-179000111.3V33 L35 I93 E95 V100 L119 R121V33-L98 HydrophobicContact CG2-CD2 3.57Å; L35-L98 HydrophobicContact CD2-CD1 3.95Å; L35-L98 HydrophobicContact CD2-CG 4.41Å; I93-L98 HydrophobicContact CG2-CD2 4.35Å; E95-L98 PolarHBondContact O-N 2.89Å; L98-V100 PolarHBondContact O-N 2.81Å; L98-L119 HydrophobicContact CD2-CB 4.15Å; L98-R121 HydrophobicContact CD1-CB 4.22Å
99N89.6Confident91.6Very high130 Ų13048.7 Ų48.770%0.69527%0.273SS*.THydrogen-bonded Turntrans5619-178-66.3-0.4000114.5L119N99-L119 PolarHBondContact N-O 2.76Å
100V89.7Confident91Very high51 Ų5147.9 Ų47.931%0.30929%0.287SS..  trans-92.7144.7172179.70000109.7S96 L98 Y102S96-V100 VanDerWaalsContact O-CG2 3.26Å; S96-V100 WeakPolarHBondContact O-CG2 3.4Å; L98-V100 PolarHBondContact O-N 2.81Å; V100-Y102 HydrophobicContact CB-CE2 4.01Å; V100-Y102 HydrophobicContact CG1-CE2 4.22Å
101L91.9Very high90.8Very high92 Ų9249.1 Ų49.148%0.48230%0.3SS..EExtended strand (participates in β ladder)trans-87.5114.8175.4-76.6161000110.5L28 I118L28-L101 HydrophobicContact CD1-CD2 4.46Å; L101-I118 HydrophobicContact CD2-CD1 3.9Å; L101-I118 HydrophobicContact CD2-CG1 3.68Å; L101-I118 HydrophobicContact CG-CG1 4.42Å
102Y93.1Very high90.8Very high4 Ų451 Ų512%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-99.6109.4169.4-63.1-85.1000108.6L41 F57 I67 L88 I90 N97 V100 S116 F117 L119L41-Y102 HydrophobicContact CD1-CD2 4.43Å; L41-Y102 HydrophobicContact CD1-CG 4.2Å; F57-Y102 HydrophobicContact CB-CD1 3.82Å; F57-Y102 HydrophobicContact CB-CE1 4.07Å; I67-Y102 HydrophobicContact CD1-CE1 3.97Å; L88-Y102 HydrophobicContact CD2-CD1 3.73Å; L88-Y102 HydrophobicContact CD2-CE1 4.44Å; L88-Y102 HydrophobicContact CD2-CG 4.41Å; I90-Y102 HydrophobicContact CD1-CD1 4.03Å; I90-Y102 HydrophobicContact CD1-CD2 4.42Å; I90-Y102 HydrophobicContact CD1-CE1 3.63Å; I90-Y102 HydrophobicContact CD1-CE2 4.05Å; I90-Y102 HydrophobicContact CD1-CG 4.4Å; N97-Y102 WeakPolarHBondContact CB-OH 3.29Å; V100-Y102 HydrophobicContact CB-CE2 4.01Å; V100-Y102 HydrophobicContact CG1-CE2 4.22Å; Y102-S116 CarbonylContact O-C 3.57Å; Y102-S116 WeakPolarHBondContact O-CA 3.13Å; Y102-F117 PolarHBondContact N-O 3.09Å; Y102-F117 PolarHBondContact O-N 2.76Å; Y102-L119 HydrophobicContact CD2-CD1 4.49Å; Y102-L119 HydrophobicContact CD2-CG 4.16Å; Y102-L119 HydrophobicContact CE2-CD1 3.76Å; Y102-L119 HydrophobicContact CE2-CG 3.81Å
103N95Very high91Very high38 Ų3848.1 Ų48.120%0.20330%0.3CS..EExtended strand (participates in β ladder)trans-100.5123.3-174.1-66.1-31.7000110W55 M56 T114 K115 S116W55-N103 CarbonylContact C-O 3.59Å; W55-N103 WeakPolarHBondContact CA-O 3.37Å; M56-N103 HydrophobicContact CB-CB 4.21Å; M56-N103 HydrophobicContact CE-CB 3.84Å; M56-N103 PolarHBondContact N-O 2.98Å; M56-N103 PolarHBondContact O-N 3.34Å; N103-T114 HydrophobicContact CB-CG2 4.06Å; N103-K115 CarbonylContact C-O 3.52Å; N103-K115 WeakPolarHBondContact CA-O 3.49Å; N103-S116 WeakPolarHBondContact OD1-CB 3.49Å; N103-S116 PolarHBondContact OD1-OG 2.74Å
104C95.4Very high91.2Very high0 Ų050.5 Ų50.50%032%0.315CS..EExtended strand (participates in β ladder)trans-95.2128.5165174.80000108.3L23 C43 W55 T114 K115 F117L23-C104 VanDerWaalsContact CD1-O 3.27Å; L23-C104 WeakPolarHBondContact CD1-O 3.35Å; C43-C104 HydrophobicContact CB-CB 3.61Å; C43-C104 WeakPolarHBondContact CB-SG 3.34Å; C43-C104 WeakPolarHBondContact SG-CB 3.5Å; C43-C104 CovalentContact SG-SG 2.02Å; C43-C104 PolarHBondContact SG-SG 3.13Å; W55-C104 HydrophobicContact CD2-CB 4.1Å; W55-C104 HydrophobicContact CE3-CB 3.89Å; W55-C104 HydrophobicContact CH2-CB 3.97Å; W55-C104 HydrophobicContact CZ2-CB 4.17Å; W55-C104 HydrophobicContact CZ3-CB 3.82Å; C104-T114 CarbonylContact O-C 3.57Å; C104-T114 WeakPolarHBondContact O-CA 3.46Å; C104-K115 PolarHBondContact N-O 3.47Å; C104-K115 PolarHBondContact O-N 3.09Å; C104-F117 HydrophobicContact CB-CE2 4.39Å
105T95.2Very high91.5Very high4 Ų450.1 Ų50.13%0.02531%0.306CS..EExtended strand (participates in β ladder)trans-125136.5177.3-58.90000110.1I53 Y54 M56 D113 T114I53-T105 WeakPolarHBondContact CA-O 3.48Å; Y54-T105 HydrophobicContact CE1-CG2 4.19Å; Y54-T105 PolarHBondContact N-O 3.39Å; Y54-T105 PolarHBondContact O-N 3Å; M56-T105 VanDerWaalsContact CE-OG1 3.32Å; M56-T105 WeakPolarHBondContact CE-OG1 3.48Å; T105-D113 WeakPolarHBondContact CA-O 3.32Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.2Å; T105-T114 WeakPolarHBondContact OG1-CG2 3.15Å; T105-T114 PolarHBondContact OG1-OG1 2.92Å
106V95.8Very high91.8Very high0 Ų044.9 Ų44.90%029%0.285CS..EExtended strand (participates in β ladder)trans-104.7130.9164640000108.5P21 L23 A45 L47 V52 T112 D113P21-V106 HydrophobicContact CB-CB 4.41Å; P21-V106 HydrophobicContact CB-CG1 3.83Å; P21-V106 HydrophobicContact CB-CG2 3.67Å; P21-V106 HydrophobicContact CG-CG1 4.2Å; P21-V106 HydrophobicContact CG-CG2 4.33Å; L23-V106 HydrophobicContact CD2-CB 3.97Å; L23-V106 HydrophobicContact CD2-CG1 3.8Å; L23-V106 HydrophobicContact CG-CG1 3.85Å; A45-V106 HydrophobicContact CB-CB 4.44Å; A45-V106 HydrophobicContact CB-CG2 4.43Å; L47-V106 HydrophobicContact CB-CG2 4.07Å; L47-V106 HydrophobicContact CD2-CG2 3.64Å; V52-V106 WeakPolarHBondContact O-CA 3.46Å; V106-T112 VanDerWaalsContact O-CA 3.32Å; V106-T112 WeakPolarHBondContact O-CA 3.26Å; V106-D113 HydrophobicContact CG1-CB 3.69Å; V106-D113 PolarHBondContact N-O 3.24Å; V106-D113 PolarHBondContact O-N 3.27Å
107A93.6Very high92.2Very high29 Ų2941 Ų4124%0.2426%0.256CS..EExtended strand (participates in β ladder)trans-121.4130.3179.300000110.4V52 Y54 T112V52-A107 PolarHBondContact N-O 2.9Å; V52-A107 PolarHBondContact O-N 2.94Å; Y54-A107 HydrophobicContact CE1-CB 4.1Å; A107-T112 HydrophobicContact CB-CG2 4.14Å
108S90.9Very high92.5Very high23 Ų2342 Ų4216%0.16126%0.262CS..EExtended strand (participates in β ladder)trans-132.7166174.1-175.60000109.7D51 G110 G111D51-S108 VanDerWaalsContact CG-OG 3.24Å; D51-S108 WeakPolarHBondContact OD1-CB 3.24Å; D51-S108 PolarHBondContact OD1-OG 2.78Å; D51-S108 WeakPolarHBondContact OD2-CB 3.46Å; D51-S108 PolarHBondContact OD2-OG 3.15Å; S108-G110 PolarHBondContact O-N 3.25Å; S108-G110 PolarHBondContact OG-N 3.05Å; S108-G111 PolarHBondContact N-O 3.18Å; S108-G111 PolarHBondContact O-N 3.05Å
109T85.9Confident92.6Very high132 Ų13240.8 Ų40.881%0.8126%0.255SS*.THydrogen-bonded Turntrans-61.3-28.5169.355.40000112.4
110G82.1Confident92.8Very high54 Ų5436.5 Ų36.556%0.55723%0.234SC*.THydrogen-bonded Turntrans-88.4-8.7-17900000115.5S108S108-G110 PolarHBondContact O-N 3.25Å; S108-G110 PolarHBondContact OG-N 3.05Å
111G88.8Confident92.8Very high26 Ų2640 Ų4027%0.26824%0.241SC..EExtended strand (participates in β ladder)trans157.7174.1-178.600000113.7S108S108-G111 PolarHBondContact N-O 3.18Å; S108-G111 PolarHBondContact O-N 3.05Å
112T94.1Very high92.5Very high101 Ų10140.3 Ų40.362%0.6224%0.239SC*.EExtended strand (participates in β ladder)trans-127.5146.9177.257.10000110.1V106 A107V106-T112 VanDerWaalsContact O-CA 3.32Å; V106-T112 WeakPolarHBondContact O-CA 3.26Å; A107-T112 HydrophobicContact CB-CG2 4.14Å
113D94.7Very high91.5Very high38 Ų3845.8 Ų45.820%0.20327%0.268CS..EExtended strand (participates in β ladder)trans-135.7131174.1-158.248.5000110.2L23 K27 T105 V106L23-D113 WeakPolarHBondContact CB-OD2 3.26Å; L23-D113 VanDerWaalsContact CD1-O 3.25Å; L23-D113 WeakPolarHBondContact CD1-O 3.38Å; L23-D113 HydrophobicContact CG-CB 4.3Å; L23-D113 PolarHBondContact N-OD2 3.36Å; L23-D113 VanDerWaalsContact N-OD2 3.14Å; K27-D113 IonicContact NZ-OD1 3.98Å; K27-D113 PolarHBondContact NZ-OD1 3.06Å; K27-D113 IonicContact NZ-OD2 3.91Å; K27-D113 PolarHBondContact NZ-OD2 2.88Å; T105-D113 WeakPolarHBondContact CA-O 3.32Å; V106-D113 HydrophobicContact CG1-CB 3.69Å; V106-D113 PolarHBondContact N-O 3.24Å; V106-D113 PolarHBondContact O-N 3.27Å
114T95.8Very high89.6Confident53 Ų5350.9 Ų50.933%0.32529%0.293SS..EExtended strand (participates in β ladder)trans-121.6141.8-177.2-56.40000111.1K27 N103 C104 T105K27-T114 WeakPolarHBondContact CD-O 3.49Å; K27-T114 PolarHBondContact NZ-O 3.4Å; N103-T114 HydrophobicContact CB-CG2 4.06Å; C104-T114 CarbonylContact O-C 3.57Å; C104-T114 WeakPolarHBondContact O-CA 3.46Å; T105-T114 WeakPolarHBondContact CG2-OG1 3.2Å; T105-T114 WeakPolarHBondContact OG1-CG2 3.15Å; T105-T114 PolarHBondContact OG1-OG1 2.92Å
115K95.3Very high87.4Confident16 Ų1655.1 Ų55.17%0.0733%0.327CS..EExtended strand (participates in β ladder)trans-132132.8177.3179.4178.6179.1-178.50109.1L23 L24 P26 K27 N29 N103 C104 F117L23-K115 HydrophobicContact CB-CB 4.31Å; L23-K115 HydrophobicContact CD1-CB 3.41Å; L23-K115 VanDerWaalsContact CD1-CB 3.41Å; L23-K115 VanDerWaalsContact CD1-N 3.33Å; L23-K115 HydrophobicContact CG-CB 4.48Å; L24-K115 PolarHBondContact O-NZ 2.79Å; P26-K115 WeakPolarHBondContact O-CE 3.45Å; P26-K115 WeakPolarHBondContact O-CG 3.46Å; K27-K115 WeakPolarHBondContact O-CA 3.42Å; N29-K115 WeakPolarHBondContact ND2-CE 3.45Å; N103-K115 CarbonylContact C-O 3.52Å; N103-K115 WeakPolarHBondContact CA-O 3.49Å; C104-K115 PolarHBondContact N-O 3.47Å; C104-K115 PolarHBondContact O-N 3.09Å; K115-F117 HydrophobicContact CD-CE2 3.92Å; K115-F117 HydrophobicContact CD-CZ 3.95Å; K115-F117 VanDerWaalsContact CE-CZ 3.48Å; K115-F117 HydrophobicContact CG-CE2 3.9Å; K115-F117 HydrophobicContact CG-CZ 4.34Å
116S95.6Very high85.1Confident26 Ų2661.3 Ų61.318%0.18236%0.36CS..EExtended strand (participates in β ladder)trans-107.8144-177-57.40000111.8K27 L28 N29 Y102 N103K27-S116 PolarHBondContact O-N 3.02Å; L28-S116 CarbonylContact C-O 3.55Å; L28-S116 WeakPolarHBondContact CA-O 3.33Å; N29-S116 PolarHBondContact N-O 2.8Å; Y102-S116 CarbonylContact O-C 3.57Å; Y102-S116 WeakPolarHBondContact O-CA 3.13Å; N103-S116 WeakPolarHBondContact OD1-CB 3.49Å; N103-S116 PolarHBondContact OD1-OG 2.74Å
117F95.3Very high83.2Confident10 Ų1066.8 Ų66.84%0.04439%0.389CS..EExtended strand (participates in β ladder)trans-122.4132.3173.5-64.7-101.8000108.8N29 V31 L41 W55 Y102 C104 K115N29-F117 HydrophobicContact CB-CD1 3.6Å; N29-F117 HydrophobicContact CB-CE1 3.9Å; N29-F117 HydrophobicContact CB-CG 4.28Å; N29-F117 CarbonylContact O-C 3.57Å; N29-F117 WeakPolarHBondContact O-CA 3.34Å; V31-F117 HydrophobicContact CG2-CD1 4.14Å; L41-F117 HydrophobicContact CD1-CB 4Å; L41-F117 HydrophobicContact CD1-CG 4.38Å; L41-F117 HydrophobicContact CD2-CD1 4.13Å; W55-F117 AromaticContact CH2-CD2 3.56Å; W55-F117 HydrophobicContact CH2-CD2 3.56Å; W55-F117 AromaticContact CH2-CE2 3.44Å; W55-F117 HydrophobicContact CH2-CE2 3.44Å; W55-F117 VanDerWaalsContact CH2-CE2 3.44Å; W55-F117 HydrophobicContact CH2-CG 4.31Å; W55-F117 HydrophobicContact CH2-CZ 4.1Å; W55-F117 HydrophobicContact CZ2-CE2 4.47Å; W55-F117 AromaticContact CZ3-CD2 3.6Å; W55-F117 HydrophobicContact CZ3-CD2 3.6Å; W55-F117 AromaticContact CZ3-CE2 3.89Å; W55-F117 HydrophobicContact CZ3-CE2 3.89Å; W55-F117 HydrophobicContact CZ3-CG 4.41Å; Y102-F117 PolarHBondContact N-O 3.09Å; Y102-F117 PolarHBondContact O-N 2.76Å; C104-F117 HydrophobicContact CB-CE2 4.39Å; K115-F117 HydrophobicContact CD-CE2 3.92Å; K115-F117 HydrophobicContact CD-CZ 3.95Å; K115-F117 VanDerWaalsContact CE-CZ 3.48Å; K115-F117 HydrophobicContact CG-CE2 3.9Å; K115-F117 HydrophobicContact CG-CZ 4.34Å
118I94.1Very high81.4Confident29 Ų2969.1 Ų69.115%0.14940%0.401CS..EExtended strand (participates in β ladder)trans-117.5123174.7-60.3178.4000107.7L28 N29 H30 V31 L101 V120L28-I118 HydrophobicContact CD1-CD1 3.79Å; L28-I118 HydrophobicContact CD1-CG1 4.01Å; N29-I118 PolarHBondContact O-N 3.35Å; H30-I118 WeakPolarHBondContact CA-O 3.49Å; V31-I118 PolarHBondContact N-O 3.08Å; L101-I118 HydrophobicContact CD2-CD1 3.9Å; L101-I118 HydrophobicContact CD2-CG1 3.68Å; L101-I118 HydrophobicContact CG-CG1 4.42Å; I118-V120 HydrophobicContact CG2-CG1 4.13Å
119L93.5Very high79.7Confident0 Ų070.3 Ų70.30%042%0.417CS..EExtended strand (participates in β ladder)trans-80.1122.2171.8-59-173.5000109V31 V33 V39 L41 I90 N97 L98 N99 Y102V31-L119 HydrophobicContact CB-CD2 4.02Å; V31-L119 HydrophobicContact CG1-CD2 4.37Å; V31-L119 WeakPolarHBondContact O-CA 3.41Å; V33-L119 HydrophobicContact CG1-CD2 3.96Å; V33-L119 HydrophobicContact CG2-CB 3.98Å; V39-L119 HydrophobicContact CG1-CD1 4.22Å; V39-L119 HydrophobicContact CG1-CD2 4.23Å; L41-L119 HydrophobicContact CD1-CD2 4.37Å; L41-L119 HydrophobicContact CD2-CD2 4.04Å; I90-L119 HydrophobicContact CD1-CD1 3.88Å; N97-L119 HydrophobicContact CB-CD1 4.38Å; L98-L119 HydrophobicContact CD2-CB 4.15Å; N99-L119 PolarHBondContact N-O 2.76Å; Y102-L119 HydrophobicContact CD2-CD1 4.49Å; Y102-L119 HydrophobicContact CD2-CG 4.16Å; Y102-L119 HydrophobicContact CE2-CD1 3.76Å; Y102-L119 HydrophobicContact CE2-CG 3.81Å
120V92.6Very high78.5Confident40 Ų4069.7 Ų69.724%0.24241%0.405CS..EExtended strand (participates in β ladder)trans-114.8145175.8-63.30000109.2H30 V31 A32 V33 I118 K122H30-V120 HydrophobicContact CB-CG2 4.45Å; V31-V120 PolarHBondContact O-N 3.12Å; A32-V120 CarbonylContact C-O 3.57Å; A32-V120 WeakPolarHBondContact CA-O 3.43Å; A32-V120 HydrophobicContact CB-CG2 4.36Å; V33-V120 WeakPolarHBondContact CG2-O 3.13Å; V33-V120 PolarHBondContact N-O 3.04Å; I118-V120 HydrophobicContact CG2-CG1 4.13Å; V120-K122 PolarHBondContact O-N 3.29Å
121R90.3Very high77.5Confident125 Ų12570.4 Ų70.447%0.47240%0.399SS..EExtended strand (participates in β ladder)trans-59.2128.4174.1-176175.1-69.3-170.1-0.5108.2E95 L98 D123E95-R121 IonicContact OE1-NH2 2.81Å; E95-R121 PolarHBondContact OE1-NH2 3.24Å; L98-R121 HydrophobicContact CD1-CB 4.22Å; R121-D123 PolarHBondContact O-N 3.01Å; R121-D123 VanDerWaalsContact O-N 3.12Å
122K86.4Confident76.1Confident98 Ų9876 Ų7643%0.42642%0.415SS..  trans-69.4108.2168.5-173.8177.2173.6-1680106.8A32 V33 E34 V120 M124A32-K122 HydrophobicContact CB-CB 4Å; A32-K122 HydrophobicContact CB-CG 4.18Å; V33-K122 WeakPolarHBondContact O-CB 3.49Å; V33-K122 PolarHBondContact O-N 2.82Å; E34-K122 HydrophobicContact CG-CB 4.12Å; E34-K122 HydrophobicContact CG-CD 3.92Å; E34-K122 WeakPolarHBondContact OE1-CD 3.25Å; E34-K122 IonicContact OE1-NZ 3.55Å; E34-K122 PolarHBondContact OE1-NZ 3.1Å; V120-K122 PolarHBondContact O-N 3.29Å; K122-M124 PolarHBondContact O-N 2.85Å; K122-M124 VanDerWaalsContact O-N 3.08Å
123D71.6Confident74.7Confident119 Ų11975.1 Ų75.164%0.63641%0.41SS*.  trans-56.4120174-64.1-36.4000107.8R121 A125R121-D123 PolarHBondContact O-N 3.01Å; R121-D123 VanDerWaalsContact O-N 3.12Å; D123-A125 PolarHBondContact O-N 3.13Å
124M55.6Low73.5Confident146 Ų14681.1 Ų81.172%0.71943%0.43SS*.  trans-69.179.1179.4-70.6-74.9-17100107.7E34 K122 D126E34-M124 HydrophobicContact CG-CE 4.37Å; K122-M124 PolarHBondContact O-N 2.85Å; K122-M124 VanDerWaalsContact O-N 3.08Å; M124-D126 VanDerWaalsContact C-N 3.3Å; M124-D126 PolarHBondContact O-N 2.65Å; M124-D126 VanDerWaalsContact O-N 3.09Å
125A49.2Very low72.5Confident88 Ų8880.4 Ų80.473%0.72743%0.434SS*.  trans33.865.4178.300000111.3D123 I127D123-A125 PolarHBondContact O-N 3.13Å; A125-I127 PolarHBondContact O-N 3.33Å
126D45.5Very low71.8Confident134 Ų13485 Ų8572%0.71746%0.457SS*.  trans-58.5102.2163.5-110.5-5.2000104.7M124 P128M124-D126 VanDerWaalsContact C-N 3.3Å; M124-D126 PolarHBondContact O-N 2.65Å; M124-D126 VanDerWaalsContact O-N 3.09Å; D126-P128 WeakPolarHBondContact O-CD 3.29Å
127I55.7Low71.2Confident116 Ų11688.4 Ų88.460%0.59547%0.472SS*.  trans-45109.6169.1-65.2166.3000103.6A125 G129 V131A125-I127 PolarHBondContact O-N 3.33Å; I127-G129 PolarHBondContact O-N 3.03Å; I127-V131 HydrophobicContact CG2-CB 3.99Å; I127-V131 HydrophobicContact CG2-CG1 4.29Å
128P55.6Low70.7Confident77 Ų7791.8 Ų91.850%0.549%0.49SS..  trans-57.4127.3-16811.6-21.2000106.3D126 H130 V131D126-P128 WeakPolarHBondContact O-CD 3.29Å; P128-H130 CarbonylContact O-C 3.57Å; P128-H130 PolarHBondContact O-N 3.47Å; P128-V131 HydrophobicContact CG-CG2 3.97Å; P128-V131 PolarHBondContact O-N 3.05Å
129G57.3Low70.3Confident49 Ų4992.6 Ų92.651%0.50550%0.5SS..Hα-helixtrans-48.5-26-171.100000113.5I127 V131 F132 T133I127-G129 PolarHBondContact O-N 3.03Å; G129-V131 VanDerWaalsContact C-N 3.28Å; G129-V131 PolarHBondContact O-N 3.31Å; G129-F132 PolarHBondContact O-N 2.88Å; G129-F132 VanDerWaalsContact O-N 3.15Å; G129-T133 PolarHBondContact O-N 3.26Å; G129-T133 PolarHBondContact O-OG1 3.41Å
130H60.7Low70.1Confident119 Ų11996.7 Ų96.755%0.55153%0.525SS*.Hα-helixtrans-51.1-37169.5117.4-91.3000114.8P128 R134P128-H130 CarbonylContact O-C 3.57Å; P128-H130 PolarHBondContact O-N 3.47Å; H130-R134 WeakPolarHBondContact O-CB 3.36Å; H130-R134 PolarHBondContact O-N 2.99Å
131V60.6Low69.9Low69 Ų69100 Ų10042%0.41854%0.541SS..Hα-helixtrans-74-40.2179.2-177.90000110.4I127 P128 G129 G135I127-V131 HydrophobicContact CG2-CB 3.99Å; I127-V131 HydrophobicContact CG2-CG1 4.29Å; P128-V131 HydrophobicContact CG-CG2 3.97Å; P128-V131 PolarHBondContact O-N 3.05Å; G129-V131 VanDerWaalsContact C-N 3.28Å; G129-V131 PolarHBondContact O-N 3.31Å; V131-G135 PolarHBondContact O-N 2.72Å
132F59.7Low69.9Low142 Ų14299 Ų9962%0.62354%0.544SS*.Hα-helixtrans-70.4-42178.7-156.1-93.7000111.3G129 G135 M136G129-F132 PolarHBondContact O-N 2.88Å; G129-F132 VanDerWaalsContact O-N 3.15Å; F132-G135 PolarHBondContact O-N 3.29Å; F132-M136 HydrophobicContact CD1-CG 4.13Å; F132-M136 HydrophobicContact CE1-CG 4.06Å; F132-M136 HydrophobicContact CE1-SD 4.45Å; F132-M136 VanDerWaalsContact O-CG 3.29Å; F132-M136 WeakPolarHBondContact O-CG 3.43Å; F132-M136 PolarHBondContact O-N 2.99Å
133T63.3Low70.1Confident83 Ų8399.8 Ų99.851%0.50955%0.552SS.*Hα-helixtrans-64.2-42.2174.6-46.60000111.6G129 M136 I137G129-T133 PolarHBondContact O-N 3.26Å; G129-T133 PolarHBondContact O-OG1 3.41Å; T133-M136 PolarHBondContact O-N 3.19Å; T133-I137 HydrophobicContact CG2-CD1 4.03Å; T133-I137 WeakPolarHBondContact O-CD1 3.36Å; T133-I137 VanDerWaalsContact O-CG1 3.24Å; T133-I137 WeakPolarHBondContact O-CG1 3.49Å; T133-I137 PolarHBondContact O-N 2.99Å
134R70.3Confident71Confident164 Ų16498 Ų9862%0.61955%0.546SS*.Hα-helixtrans-64.9-40.5176.6-172.5176.4-179.1-172.1-0.2112H130 I137 I138H130-R134 WeakPolarHBondContact O-CB 3.36Å; H130-R134 PolarHBondContact O-N 2.99Å; R134-I137 PolarHBondContact O-N 3.4Å; R134-I138 HydrophobicContact CG-CD1 4.06Å; R134-I138 WeakPolarHBondContact O-CD1 3.37Å; R134-I138 VanDerWaalsContact O-CG1 3.26Å; R134-I138 WeakPolarHBondContact O-CG1 3.36Å; R134-I138 PolarHBondContact O-N 3.38Å; R134-I138 VanDerWaalsContact O-N 3.09Å
135G74.8Confident72.7Confident39 Ų3993.4 Ų93.440%0.40253%0.531SS..Hα-helixtrans-62.2-44.6175.100000112.7V131 F132 I138 A139V131-G135 PolarHBondContact O-N 2.72Å; F132-G135 PolarHBondContact O-N 3.29Å; G135-I138 PolarHBondContact O-N 3.3Å; G135-A139 PolarHBondContact O-N 3.31Å
136M80Confident74.7Confident113 Ų11392.9 Ų92.956%0.55752%0.518SS*.Hα-helixtrans-64.7-40.5177.5-71.1-67.7-83.100112.4F132 T133 A139 V140F132-M136 HydrophobicContact CD1-CG 4.13Å; F132-M136 HydrophobicContact CE1-CG 4.06Å; F132-M136 HydrophobicContact CE1-SD 4.45Å; F132-M136 VanDerWaalsContact O-CG 3.29Å; F132-M136 WeakPolarHBondContact O-CG 3.43Å; F132-M136 PolarHBondContact O-N 2.99Å; T133-M136 PolarHBondContact O-N 3.19Å; M136-A139 PolarHBondContact O-N 3.41Å; M136-V140 WeakPolarHBondContact O-CG2 3.48Å; M136-V140 PolarHBondContact O-N 2.83Å
137I82.5Confident76.8Confident96 Ų9690.7 Ų90.749%0.49251%0.509SS..Hα-helixtrans-62.9-44.7176.1-68164000110.9T133 R134 A139 V140 L141T133-I137 HydrophobicContact CG2-CD1 4.03Å; T133-I137 WeakPolarHBondContact O-CD1 3.36Å; T133-I137 VanDerWaalsContact O-CG1 3.24Å; T133-I137 WeakPolarHBondContact O-CG1 3.49Å; T133-I137 PolarHBondContact O-N 2.99Å; R134-I137 PolarHBondContact O-N 3.4Å; I137-A139 PolarHBondContact O-N 3.4Å; I137-V140 PolarHBondContact O-N 2.83Å; I137-L141 HydrophobicContact CG2-CD1 3.99Å; I137-L141 HydrophobicContact CG2-CG 4.43Å; I137-L141 WeakPolarHBondContact O-CG 3.36Å; I137-L141 PolarHBondContact O-N 3.36Å
138I84.7Confident78.1Confident82 Ų8288.2 Ų88.242%0.42150%0.502SS..Hα-helixtrans-62.9-43178.9-67.4165.3000110.8R134 G135 V140 L141 I142R134-I138 HydrophobicContact CG-CD1 4.06Å; R134-I138 WeakPolarHBondContact O-CD1 3.37Å; R134-I138 VanDerWaalsContact O-CG1 3.26Å; R134-I138 WeakPolarHBondContact O-CG1 3.36Å; R134-I138 PolarHBondContact O-N 3.38Å; R134-I138 VanDerWaalsContact O-N 3.09Å; G135-I138 PolarHBondContact O-N 3.3Å; I138-V140 PolarHBondContact O-N 3.39Å; I138-L141 PolarHBondContact O-N 3.27Å; I138-I142 HydrophobicContact CG2-CD1 3.83Å; I138-I142 HydrophobicContact CG2-CG1 4.46Å; I138-I142 VanDerWaalsContact O-CG1 3.3Å; I138-I142 WeakPolarHBondContact O-CG1 3.47Å; I138-I142 PolarHBondContact O-N 3.45Å
139A85.9Confident79.5Confident45 Ų4590 Ų9037%0.37251%0.507SS..Hα-helixtrans-60.8-43.5177.400000112.5G135 M136 I137 I142 L143G135-A139 PolarHBondContact O-N 3.31Å; M136-A139 PolarHBondContact O-N 3.41Å; I137-A139 PolarHBondContact O-N 3.4Å; A139-I142 PolarHBondContact O-N 2.94Å; A139-L143 PolarHBondContact O-N 2.87Å; A139-L143 VanDerWaalsContact O-N 3.08Å
140V89.3Confident80.8Confident86 Ų8691.7 Ų91.752%0.52151%0.506SS..Hα-helixtrans-64.2-42.4176.51730000111.3M136 I137 I138 I142 L143 V144M136-V140 WeakPolarHBondContact O-CG2 3.48Å; M136-V140 PolarHBondContact O-N 2.83Å; I137-V140 PolarHBondContact O-N 2.83Å; I138-V140 PolarHBondContact O-N 3.39Å; V140-I142 VanDerWaalsContact C-N 3.34Å; V140-I142 PolarHBondContact O-N 3.49Å; V140-L143 WeakPolarHBondContact O-CB 3.44Å; V140-L143 PolarHBondContact O-N 3.18Å; V140-V144 HydrophobicContact CG1-CG2 4.44Å; V140-V144 WeakPolarHBondContact O-CG2 3.34Å; V140-V144 PolarHBondContact O-N 2.88Å
141L88.6Confident81.7Confident110 Ų11089.2 Ų89.258%0.57650%0.5SS*.Hα-helixtrans-61.7-40.7177.1-72.7171.6000112.3I137 I138 V144 A145I137-L141 HydrophobicContact CG2-CD1 3.99Å; I137-L141 HydrophobicContact CG2-CG 4.43Å; I137-L141 WeakPolarHBondContact O-CG 3.36Å; I137-L141 PolarHBondContact O-N 3.36Å; I138-L141 PolarHBondContact O-N 3.27Å; L141-V144 PolarHBondContact O-N 2.92Å; L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 3Å
142I90.1Very high82.6Confident103 Ų10389.2 Ų89.253%0.52850%0.5SS..Hα-helixtrans-63.7-44.3176.7-67.3165.9000110.5I138 A139 V140 V144 A145 V146I138-I142 HydrophobicContact CG2-CD1 3.83Å; I138-I142 HydrophobicContact CG2-CG1 4.46Å; I138-I142 VanDerWaalsContact O-CG1 3.3Å; I138-I142 WeakPolarHBondContact O-CG1 3.47Å; I138-I142 PolarHBondContact O-N 3.45Å; A139-I142 PolarHBondContact O-N 2.94Å; V140-I142 VanDerWaalsContact C-N 3.34Å; V140-I142 PolarHBondContact O-N 3.49Å; I142-V144 PolarHBondContact O-N 3.4Å; I142-A145 PolarHBondContact O-N 3.29Å; I142-V146 HydrophobicContact CG2-CG2 4.5Å; I142-V146 WeakPolarHBondContact O-CG2 3.38Å; I142-V146 PolarHBondContact O-N 3.44Å
143L91.8Very high83.3Confident116 Ų11685.4 Ų85.461%0.60749%0.49SS*.Hα-helixtrans-58.9-47.4175.8-88155.3000112A139 V140 A145 V146 V147A139-L143 PolarHBondContact O-N 2.87Å; A139-L143 VanDerWaalsContact O-N 3.08Å; V140-L143 WeakPolarHBondContact O-CB 3.44Å; V140-L143 PolarHBondContact O-N 3.18Å; L143-A145 VanDerWaalsContact C-N 3.32Å; L143-A145 PolarHBondContact O-N 2.99Å; L143-V146 PolarHBondContact O-N 3.46Å; L143-V147 WeakPolarHBondContact O-CG2 3.33Å; L143-V147 PolarHBondContact O-N 3.35Å
144V90.9Very high83.9Confident82 Ų8286 Ų8650%0.49749%0.493SS..Hα-helixtrans-61.6-42.1177.4173.20000111V140 L141 I142 V146 V147 C148V140-V144 HydrophobicContact CG1-CG2 4.44Å; V140-V144 WeakPolarHBondContact O-CG2 3.34Å; V140-V144 PolarHBondContact O-N 2.88Å; L141-V144 PolarHBondContact O-N 2.92Å; I142-V144 PolarHBondContact O-N 3.4Å; V144-V146 PolarHBondContact O-N 3.37Å; V144-V147 PolarHBondContact O-N 3.07Å; V144-C148 WeakPolarHBondContact O-CB 3.45Å; V144-C148 PolarHBondContact O-N 3.48Å; V144-C148 PolarHBondContact O-SG 3.36Å
145A89.9Confident84Confident49 Ų4984 Ų8441%0.40549%0.494SS..Hα-helixtrans-62.5-42.1177.100000112.2L141 I142 L143 C148 L149L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 3Å; I142-A145 PolarHBondContact O-N 3.29Å; L143-A145 VanDerWaalsContact C-N 3.32Å; L143-A145 PolarHBondContact O-N 2.99Å; A145-C148 PolarHBondContact O-N 2.97Å; A145-L149 WeakPolarHBondContact O-CB 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.29Å; A145-L149 PolarHBondContact O-N 3.28Å
146V90.9Very high83.6Confident77 Ų7787.8 Ų87.847%0.46750%0.497SS..Hα-helixtrans-62.9-45.6176.1171.20000111I142 L143 V144 C148 L149 V150I142-V146 HydrophobicContact CG2-CG2 4.5Å; I142-V146 WeakPolarHBondContact O-CG2 3.38Å; I142-V146 PolarHBondContact O-N 3.44Å; L143-V146 PolarHBondContact O-N 3.46Å; V144-V146 PolarHBondContact O-N 3.37Å; V146-C148 VanDerWaalsContact C-N 3.34Å; V146-C148 PolarHBondContact O-N 3.4Å; V146-L149 PolarHBondContact O-N 2.97Å; V146-V150 WeakPolarHBondContact O-CG2 3.4Å; V146-V150 PolarHBondContact O-N 3.13Å
147V89.4Confident82.9Confident88 Ų8891.3 Ų91.353%0.53350%0.504SS..Hα-helixtrans-61.3-45.1176.8174.10000110.6L143 V144 L149 V150 T151L143-V147 WeakPolarHBondContact O-CG2 3.33Å; L143-V147 PolarHBondContact O-N 3.35Å; V144-V147 PolarHBondContact O-N 3.07Å; V147-L149 PolarHBondContact O-N 2.94Å; V147-V150 PolarHBondContact O-N 3.08Å; V147-T151 HydrophobicContact CG1-CG2 4.41Å; V147-T151 WeakPolarHBondContact O-CG2 3.16Å; V147-T151 PolarHBondContact O-N 3.36Å; V147-T151 PolarHBondContact O-OG1 2.91Å
148C84.9Confident81.8Confident64 Ų6491.6 Ų91.643%0.43251%0.51SS..Hα-helixtrans-58.9-46.9176.1-69.90000111.5V144 A145 V146 V150 T151 V152V144-C148 WeakPolarHBondContact O-CB 3.45Å; V144-C148 PolarHBondContact O-N 3.48Å; V144-C148 PolarHBondContact O-SG 3.36Å; A145-C148 PolarHBondContact O-N 2.97Å; V146-C148 VanDerWaalsContact C-N 3.34Å; V146-C148 PolarHBondContact O-N 3.4Å; C148-V150 VanDerWaalsContact C-N 3.34Å; C148-V150 PolarHBondContact O-N 3.02Å; C148-T151 WeakPolarHBondContact CA-OG1 3.47Å; C148-T151 PolarHBondContact O-N 2.71Å; C148-T151 PolarHBondContact O-OG1 2.79Å; C148-V152 WeakPolarHBondContact O-CG2 3.37Å; C148-V152 PolarHBondContact O-N 2.76Å
149L83.9Confident80.5Confident115 Ų11591.8 Ų91.860%0.60251%0.512SS*.Hα-helixtrans-58.5-44.3175.8-77168.8000111.9A145 V146 V147 V152 C153A145-L149 WeakPolarHBondContact O-CB 3.3Å; A145-L149 WeakPolarHBondContact O-CG 3.29Å; A145-L149 PolarHBondContact O-N 3.28Å; V146-L149 PolarHBondContact O-N 2.97Å; V147-L149 PolarHBondContact O-N 2.94Å; L149-V152 PolarHBondContact O-N 2.79Å; L149-C153 VanDerWaalsContact O-CB 3.27Å; L149-C153 WeakPolarHBondContact O-CB 3.42Å; L149-C153 PolarHBondContact O-N 2.97Å; L149-C153 PolarHBondContact O-SG 3.36Å
150V84.3Confident79.4Confident83 Ų8394 Ų9450%0.50352%0.517SS..Hα-helixtrans-62.6-44.2177173.20000110.9V146 V147 C148 C153 V154V146-V150 WeakPolarHBondContact O-CG2 3.4Å; V146-V150 PolarHBondContact O-N 3.13Å; V147-V150 PolarHBondContact O-N 3.08Å; C148-V150 VanDerWaalsContact C-N 3.34Å; C148-V150 PolarHBondContact O-N 3.02Å; V150-C153 WeakPolarHBondContact O-CB 3.4Å; V150-C153 PolarHBondContact O-N 2.85Å; V150-V154 HydrophobicContact CG1-CG2 4.42Å; V150-V154 VanDerWaalsContact O-CG2 3.28Å; V150-V154 WeakPolarHBondContact O-CG2 3.11Å; V150-V154 PolarHBondContact O-N 3.03Å
151T80.6Confident78.2Confident67 Ų6794.5 Ų94.541%0.41152%0.52SS..Hα-helixtrans-64.2-42.8178.858.10000112.6V147 C148 V154 I155V147-T151 HydrophobicContact CG1-CG2 4.41Å; V147-T151 WeakPolarHBondContact O-CG2 3.16Å; V147-T151 PolarHBondContact O-N 3.36Å; V147-T151 PolarHBondContact O-OG1 2.91Å; C148-T151 WeakPolarHBondContact CA-OG1 3.47Å; C148-T151 PolarHBondContact O-N 2.71Å; C148-T151 PolarHBondContact O-OG1 2.79Å; T151-V154 PolarHBondContact O-N 3.27Å; T151-I155 WeakPolarHBondContact O-CB 3.48Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å; T151-I155 PolarHBondContact O-N 2.75Å
152V79.1Confident76.8Confident70 Ų7093.9 Ų93.942%0.42452%0.517SS..Hα-helixtrans-62.3-46.6173.6170.50000109.9C148 L149 V154 I155 Y156C148-V152 WeakPolarHBondContact O-CG2 3.37Å; C148-V152 PolarHBondContact O-N 2.76Å; L149-V152 PolarHBondContact O-N 2.79Å; V152-V154 VanDerWaalsContact C-N 3.25Å; V152-V154 PolarHBondContact O-N 3.2Å; V152-I155 PolarHBondContact O-N 2.8Å; V152-Y156 HydrophobicContact CB-CD2 4.26Å; V152-Y156 HydrophobicContact CG1-CD2 3.6Å; V152-Y156 HydrophobicContact CG1-CE2 4.13Å; V152-Y156 WeakPolarHBondContact O-CA 3.26Å; V152-Y156 VanDerWaalsContact O-CB 3.28Å; V152-Y156 WeakPolarHBondContact O-CB 3.46Å; V152-Y156 WeakPolarHBondContact O-CD2 3.28Å; V152-Y156 PolarHBondContact O-N 3.15Å
153C74.6Confident75.6Confident61 Ų6195 Ų9541%0.41252%0.518SS..Hα-helixtrans-58.6-36.5176-760000112.5L149 V150 R157L149-C153 VanDerWaalsContact O-CB 3.27Å; L149-C153 WeakPolarHBondContact O-CB 3.42Å; L149-C153 PolarHBondContact O-N 2.97Å; L149-C153 PolarHBondContact O-SG 3.36Å; V150-C153 WeakPolarHBondContact O-CB 3.4Å; V150-C153 PolarHBondContact O-N 2.85Å; C153-R157 WeakPolarHBondContact O-CA 3.47Å; C153-R157 WeakPolarHBondContact O-CB 3.4Å; C153-R157 WeakPolarHBondContact O-CG 3.3Å; C153-R157 PolarHBondContact O-N 3.38Å; C153-R157 VanDerWaalsContact O-N 3.08Å
154V75.8Confident74.2Confident95 Ų9597.1 Ų97.158%0.57652%0.519SS*.Hα-helixtrans-72.8-50.1178170.80000111.6V150 T151 V152 R157V150-V154 HydrophobicContact CG1-CG2 4.42Å; V150-V154 VanDerWaalsContact O-CG2 3.28Å; V150-V154 WeakPolarHBondContact O-CG2 3.11Å; V150-V154 PolarHBondContact O-N 3.03Å; T151-V154 PolarHBondContact O-N 3.27Å; V152-V154 VanDerWaalsContact C-N 3.25Å; V152-V154 PolarHBondContact O-N 3.2Å; V154-R157 PolarHBondContact O-N 3.31Å
155I72.1Confident73Confident124 Ų124101.4 Ų101.464%0.63653%0.526SS*.Hα-helixtrans-65.5-48.8-178-66.4166.6000110.2T151 V152 R157T151-I155 WeakPolarHBondContact O-CB 3.48Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å; T151-I155 PolarHBondContact O-N 2.75Å; V152-I155 PolarHBondContact O-N 2.8Å; I155-R157 VanDerWaalsContact C-N 3.28Å; I155-R157 PolarHBondContact O-N 2.97Å
156Y66.4Low71.8Confident117 Ų117103.6 Ų103.646%0.45953%0.528SS..THydrogen-bonded Turntrans-8919.4179.8-61.8-83.1000111.9V152 V158 D159 L160V152-Y156 HydrophobicContact CB-CD2 4.26Å; V152-Y156 HydrophobicContact CG1-CD2 3.6Å; V152-Y156 HydrophobicContact CG1-CE2 4.13Å; V152-Y156 WeakPolarHBondContact O-CA 3.26Å; V152-Y156 VanDerWaalsContact O-CB 3.28Å; V152-Y156 WeakPolarHBondContact O-CB 3.46Å; V152-Y156 WeakPolarHBondContact O-CD2 3.28Å; V152-Y156 PolarHBondContact O-N 3.15Å; Y156-V158 PolarHBondContact O-N 3.38Å; Y156-V158 VanDerWaalsContact O-N 3.12Å; Y156-D159 HydrophobicContact CD1-CB 3.86Å; Y156-D159 WeakPolarHBondContact CD1-OD2 3.49Å; Y156-D159 CarbonylContact O-C 3.59Å; Y156-D159 PolarHBondContact O-N 3.28Å; Y156-D159 VanDerWaalsContact O-N 3.16Å; Y156-L160 WeakPolarHBondContact O-CA 3.33Å; Y156-L160 WeakPolarHBondContact O-CB 3.3Å; Y156-L160 PolarHBondContact O-N 2.72Å
157R65.5Low70.4Confident187 Ų187103.8 Ų103.871%0.70653%0.526SS*.Hα-helixtrans-53.3-37.6175.3-96.1-142.2-173.9-130.53.6111.8C153 V154 I155 V161C153-R157 WeakPolarHBondContact O-CA 3.47Å; C153-R157 WeakPolarHBondContact O-CB 3.4Å; C153-R157 WeakPolarHBondContact O-CG 3.3Å; C153-R157 PolarHBondContact O-N 3.38Å; C153-R157 VanDerWaalsContact O-N 3.08Å; V154-R157 PolarHBondContact O-N 3.31Å; I155-R157 VanDerWaalsContact C-N 3.28Å; I155-R157 PolarHBondContact O-N 2.97Å; R157-V161 WeakPolarHBondContact O-CB 3.36Å; R157-V161 WeakPolarHBondContact O-CG2 3.38Å; R157-V161 PolarHBondContact O-N 2.81Å
158V58.7Low69Low102 Ų102102.4 Ų102.462%0.61852%0.518SS*.Hα-helixtrans-75-46.5178.7-175.90000110.7Y156 V161 L162Y156-V158 PolarHBondContact O-N 3.38Å; Y156-V158 VanDerWaalsContact O-N 3.12Å; V158-V161 PolarHBondContact O-N 3.38Å; V158-L162 HydrophobicContact CG1-CD1 4.2Å; V158-L162 VanDerWaalsContact O-CG 3.3Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 2.91Å
159D59Low67.4Low86 Ų86107.7 Ų107.746%0.4653%0.528SS..Hα-helixtrans-70.8-30.4179.7-72.8-40.2000113.7Y156 L162 F163Y156-D159 HydrophobicContact CD1-CB 3.86Å; Y156-D159 WeakPolarHBondContact CD1-OD2 3.49Å; Y156-D159 CarbonylContact O-C 3.59Å; Y156-D159 PolarHBondContact O-N 3.28Å; Y156-D159 VanDerWaalsContact O-N 3.16Å; D159-L162 CarbonylContact O-C 3.55Å; D159-L162 PolarHBondContact O-N 2.91Å; D159-F163 WeakPolarHBondContact O-CB 3.46Å; D159-F163 PolarHBondContact O-N 3.45Å
160L62.1Low65.8Low92 Ų92109 Ų10948%0.48253%0.525SS..Hα-helixtrans-74.4-35.2174.9-168144.1000110.5Y156 Y164Y156-L160 WeakPolarHBondContact O-CA 3.33Å; Y156-L160 WeakPolarHBondContact O-CB 3.3Å; Y156-L160 PolarHBondContact O-N 2.72Å; L160-Y164 WeakPolarHBondContact O-CA 3.28Å; L160-Y164 WeakPolarHBondContact O-CB 3.09Å; L160-Y164 PolarHBondContact O-N 3.41Å
161V63.8Low64Low97 Ų97110 Ų11059%0.58853%0.528SS*.Hα-helixtrans-65.8-40.71681670000110.7R157 V158 R165R157-V161 WeakPolarHBondContact O-CB 3.36Å; R157-V161 WeakPolarHBondContact O-CG2 3.38Å; R157-V161 PolarHBondContact O-N 2.81Å; V158-V161 PolarHBondContact O-N 3.38Å; V161-R165 WeakPolarHBondContact O-CB 3.27Å; V161-R165 PolarHBondContact O-N 3.33Å
162L60.1Low62.5Low96 Ų96113.9 Ų113.950%0.50354%0.542SS..Hα-helixtrans-68-39.3176-72.3170.1000112.2V158 D159 H166V158-L162 HydrophobicContact CG1-CD1 4.2Å; V158-L162 VanDerWaalsContact O-CG 3.3Å; V158-L162 WeakPolarHBondContact O-CG 3.33Å; V158-L162 PolarHBondContact O-N 2.91Å; D159-L162 CarbonylContact O-C 3.55Å; D159-L162 PolarHBondContact O-N 2.91Å; L162-H166 VanDerWaalsContact O-CB 3.26Å; L162-H166 WeakPolarHBondContact O-CB 3.49Å; L162-H166 PolarHBondContact O-N 3.24Å
163F63.7Low61.2Low127 Ų127115.8 Ų115.856%0.55755%0.553SS**Hα-helixtrans-74.6-40.5178.6-165.1-101.2000111.6D159 H166 L167D159-F163 WeakPolarHBondContact O-CB 3.46Å; D159-F163 PolarHBondContact O-N 3.45Å; F163-H166 CarbonylContact O-C 3.57Å; F163-H166 PolarHBondContact O-N 3.21Å; F163-L167 HydrophobicContact CD1-CD1 3.59Å; F163-L167 HydrophobicContact CD1-CG 4.12Å; F163-L167 HydrophobicContact CE1-CD1 3.47Å; F163-L167 VanDerWaalsContact CE1-CD1 3.47Å; F163-L167 HydrophobicContact CE1-CD2 4.44Å; F163-L167 HydrophobicContact CE1-CG 3.97Å; F163-L167 HydrophobicContact CZ-CD1 4.43Å; F163-L167 WeakPolarHBondContact O-CB 3.15Å; F163-L167 WeakPolarHBondContact O-CG 3.03Å; F163-L167 PolarHBondContact O-N 2.9Å
164Y63.2Low59.9Low160 Ų160119.7 Ų119.763%0.62757%0.57SS**Hα-helixtrans-58.4-50.7169.4-176.5-96.4000109.6L160 H166 L167 T168L160-Y164 WeakPolarHBondContact O-CA 3.28Å; L160-Y164 WeakPolarHBondContact O-CB 3.09Å; L160-Y164 PolarHBondContact O-N 3.41Å; Y164-H166 VanDerWaalsContact C-N 3.28Å; Y164-H166 PolarHBondContact O-N 3.46Å; Y164-L167 PolarHBondContact O-N 3.29Å; Y164-L167 VanDerWaalsContact O-N 3.15Å; Y164-T168 PolarHBondContact O-N 3.47Å; Y164-T168 PolarHBondContact O-OG1 3.22Å
165R64.8Low58.5Low173 Ų173120.2 Ų120.265%0.65357%0.573SS**Hα-helixtrans-60.9-34.6175.3-172176.9-176.5174.51.4112.7V161 R169V161-R165 WeakPolarHBondContact O-CB 3.27Å; V161-R165 PolarHBondContact O-N 3.33Å; R165-R169 WeakPolarHBondContact O-CB 3.15Å; R165-R169 PolarHBondContact O-N 3.35Å
166H64.9Low57.5Low94 Ų94118 Ų11844%0.43558%0.581SS.*Hα-helixtrans-70-40.2175.5-174.653.5000111.9L162 F163 Y164 R170L162-H166 VanDerWaalsContact O-CB 3.26Å; L162-H166 WeakPolarHBondContact O-CB 3.49Å; L162-H166 PolarHBondContact O-N 3.24Å; F163-H166 CarbonylContact O-C 3.57Å; F163-H166 PolarHBondContact O-N 3.21Å; Y164-H166 VanDerWaalsContact C-N 3.28Å; Y164-H166 PolarHBondContact O-N 3.46Å; H166-R170 PolarHBondContact NE2-NH1 2.91Å; H166-R170 VanDerWaalsContact NE2-NH1 3.19Å; H166-R170 WeakPolarHBondContact O-CB 3.33Å; H166-R170 PolarHBondContact O-N 3.49Å
167L61.9Low56.5Low82 Ų82117.6 Ų117.643%0.42959%0.587SS.*Hα-helixtrans-66.5-47.6173.9-75.9170.3000111.5F163 Y164 R169 R170 D171F163-L167 HydrophobicContact CD1-CD1 3.59Å; F163-L167 HydrophobicContact CD1-CG 4.12Å; F163-L167 HydrophobicContact CE1-CD1 3.47Å; F163-L167 VanDerWaalsContact CE1-CD1 3.47Å; F163-L167 HydrophobicContact CE1-CD2 4.44Å; F163-L167 HydrophobicContact CE1-CG 3.97Å; F163-L167 HydrophobicContact CZ-CD1 4.43Å; F163-L167 WeakPolarHBondContact O-CB 3.15Å; F163-L167 WeakPolarHBondContact O-CG 3.03Å; F163-L167 PolarHBondContact O-N 2.9Å; Y164-L167 PolarHBondContact O-N 3.29Å; Y164-L167 VanDerWaalsContact O-N 3.15Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3Å; L167-R170 WeakPolarHBondContact O-CA 3.42Å; L167-R170 WeakPolarHBondContact O-CB 2.87Å; L167-R170 PolarHBondContact O-N 3.28Å; L167-D171 PolarHBondContact O-N 2.9Å
168T59.2Low55.9Low58 Ų58114.4 Ų114.436%0.35659%0.588SS.*Hα-helixtrans-60.9-39.8176.5-31.50000111Y164 R170 D171 E172Y164-T168 PolarHBondContact O-N 3.47Å; Y164-T168 PolarHBondContact O-OG1 3.22Å; T168-R170 VanDerWaalsContact C-N 3.28Å; T168-R170 PolarHBondContact O-N 2.68Å; T168-D171 PolarHBondContact O-N 3.36Å; T168-E172 WeakPolarHBondContact O-CG 3.49Å; T168-E172 PolarHBondContact O-N 3.19Å
169R53.1Low55.4Low175 Ų175118.5 Ų118.566%0.6659%0.594SS**Hα-helixtrans-69.5-23.8175.3-166.9176.5-168174.83.3113.2R165 L167R165-R169 WeakPolarHBondContact O-CB 3.15Å; R165-R169 PolarHBondContact O-N 3.35Å; L167-R169 VanDerWaalsContact C-N 3.29Å; L167-R169 PolarHBondContact O-N 3Å
170R49.6Very low54.8Low142 Ų142120 Ų12054%0.53660%0.602SS.*Hα-helixtrans-80.8-34.4176.4-147.8178.2-163.9133.8-3.6111.6H166 L167 T168 E172 T173 L174H166-R170 PolarHBondContact NE2-NH1 2.91Å; H166-R170 VanDerWaalsContact NE2-NH1 3.19Å; H166-R170 WeakPolarHBondContact O-CB 3.33Å; H166-R170 PolarHBondContact O-N 3.49Å; L167-R170 WeakPolarHBondContact O-CA 3.42Å; L167-R170 WeakPolarHBondContact O-CB 2.87Å; L167-R170 PolarHBondContact O-N 3.28Å; T168-R170 VanDerWaalsContact C-N 3.28Å; T168-R170 PolarHBondContact O-N 2.68Å; R170-E172 VanDerWaalsContact C-N 3.25Å; R170-E172 PolarHBondContact O-N 3.16Å; R170-T173 PolarHBondContact O-N 2.84Å; R170-T173 PolarHBondContact O-OG1 2.88Å; R170-L174 PolarHBondContact O-N 3.5Å
171D45.4Very low54.2Low106 Ų106119.8 Ų119.857%0.56761%0.613SS**Hα-helixtrans-65.2-29.3173.8-77.8-25.5000112.6L167 T168 T173 L174 T175L167-D171 PolarHBondContact O-N 2.9Å; T168-D171 PolarHBondContact O-N 3.36Å; D171-T173 PolarHBondContact O-N 2.93Å; D171-L174 PolarHBondContact O-N 3.35Å; D171-T175 PolarHBondContact O-N 3.12Å; D171-T175 PolarHBondContact O-OG1 3.08Å
172E49.4Very low53.5Low148 Ų148117.5 Ų117.569%0.69261%0.61SS**Hα-helixtrans-65.3-21.2170.7-64.2179-136.800113T168 R170T168-E172 WeakPolarHBondContact O-CG 3.49Å; T168-E172 PolarHBondContact O-N 3.19Å; R170-E172 VanDerWaalsContact C-N 3.25Å; R170-E172 PolarHBondContact O-N 3.16Å
173T52Low53.2Low109 Ų109118.3 Ų118.367%0.66961%0.613SS**Hα-helixtrans-99.6-5.7-179.755.30000114.6R170 D171R170-T173 PolarHBondContact O-N 2.84Å; R170-T173 PolarHBondContact O-OG1 2.88Å; D171-T173 PolarHBondContact O-N 2.93Å
174L48.5Very low52.6Low144 Ų144116.3 Ų116.375%0.75462%0.615SS**Hα-helixtrans-109.5-8.1174.5-89.7158.1000113.7R170 D171R170-L174 PolarHBondContact O-N 3.5Å; D171-L174 PolarHBondContact O-N 3.35Å
175T45.3Very low51.8Low105 Ų105118 Ų11864%0.64462%0.622SS**  trans-105.457.7171.6-41.10000110.6D171 N177D171-T175 PolarHBondContact O-N 3.12Å; D171-T175 PolarHBondContact O-OG1 3.08Å; T175-N177 PolarHBondContact O-N 3.29Å
176G51.4Low51.2Low79 Ų79115.4 Ų115.481%0.81462%0.62SS**  trans-66.776.4157.200000109.8
177N44.7Very low50.6Low107 Ų107117 Ų11757%0.57263%0.629SS**  trans-160.277.4160.6-143.819.7000112.1T175 Y179T175-N177 PolarHBondContact O-N 3.29Å; N177-Y179 PolarHBondContact O-N 2.88Å
178T52.8Low50.1Low121 Ų121120.5 Ų120.574%0.74264%0.641SS**  trans35.631130.656.80000122.8
179Y47.5Very low49.6Very low187 Ų187121.6 Ų121.673%0.73365%0.651SS**  trans-132.714.7-178.9-77-76.4000119.2N177N177-Y179 PolarHBondContact O-N 2.88Å
180N48.3Very low49.4Very low119 Ų119118.2 Ų118.264%0.63665%0.646SS**SBendtrans-127.25.2178.5-116.617.5000117.9G182N180-G182 VanDerWaalsContact C-N 3.33Å; N180-G182 PolarHBondContact O-N 3.22Å
181A49.2Very low49.4Very low86 Ų86119.8 Ų119.871%0.71165%0.652SS**Hα-helixtrans-75.6-19.2174.100000113.6
182G48.2Very low49.4Very low50 Ų50119.4 Ų119.452%0.51565%0.65SS.*Hα-helixtrans-82.9-30.9-178.600000114.8N180N180-G182 VanDerWaalsContact C-N 3.33Å; N180-G182 PolarHBondContact O-N 3.22Å
183I53.8Low49.5Very low113 Ų113119.6 Ų119.658%0.57965%0.65SS**Hα-helixtrans-81.3-31-171.4-62.1-176.1000111.8M187I183-M187 WeakPolarHBondContact O-CB 3.38Å; I183-M187 PolarHBondContact O-N 3.03Å; I183-M187 VanDerWaalsContact O-N 3.09Å
184S52.1Low49.6Very low85 Ų85120.6 Ų120.659%0.59465%0.65SS**Hα-helixtrans-70.5-34.8177.3-68.70000113.7F188S184-F188 WeakPolarHBondContact O-CB 3.38Å; S184-F188 PolarHBondContact O-N 3.09Å; S184-F188 VanDerWaalsContact O-N 3.09Å
185Y46.4Very low49.5Very low196 Ų196120.3 Ų120.377%0.76965%0.65SS**Hα-helixtrans-71-37.8176-85.7-85.1000112.2S189Y185-S189 WeakPolarHBondContact O-CB 3.49Å; Y185-S189 PolarHBondContact O-N 3.01Å
186L52.2Low49.7Very low117 Ų117125.2 Ų125.261%0.61366%0.657SS**Hα-helixtrans-67.5-40.3177.3-124.4126.6000111.7L190L186-L190 HydrophobicContact CD2-CD1 4.03Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 PolarHBondContact O-N 3.09Å
187M51.7Low49.3Very low127 Ų127133.4 Ų133.463%0.62667%0.673SS**Hα-helixtrans-73.2-32.4179.6-137.8-126.4170.100112.9I183 R191I183-M187 WeakPolarHBondContact O-CB 3.38Å; I183-M187 PolarHBondContact O-N 3.03Å; I183-M187 VanDerWaalsContact O-N 3.09Å; M187-R191 WeakPolarHBondContact O-CB 3.49Å; M187-R191 PolarHBondContact O-N 3.45Å
188F51.9Low49.5Very low157 Ų157134.7 Ų134.769%0.68968%0.678SS**Hα-helixtrans-73.9-36.1174.8-155.2-92.9000112.2S184 N192S184-F188 WeakPolarHBondContact O-CB 3.38Å; S184-F188 PolarHBondContact O-N 3.09Å; S184-F188 VanDerWaalsContact O-N 3.09Å; F188-N192 PolarHBondContact O-N 3.31Å
189S47.6Very low49.4Very low80 Ų80135.4 Ų135.456%0.55968%0.675SS**Hα-helixtrans-69.8-38.7174.9-168.80000112.7Y185 N192 Q193Y185-S189 WeakPolarHBondContact O-CB 3.49Å; Y185-S189 PolarHBondContact O-N 3.01Å; S189-N192 PolarHBondContact O-N 3.37Å; S189-Q193 PolarHBondContact O-N 3.21Å
190L49.8Very low49.5Very low104 Ų104132.6 Ų132.655%0.54567%0.671SS.*Hα-helixtrans-67.5-34.3176.5-87.3159.5000112.5L186 N192L186-L190 HydrophobicContact CD2-CD1 4.03Å; L186-L190 WeakPolarHBondContact O-CB 3.4Å; L186-L190 PolarHBondContact O-N 3.09Å; L190-N192 VanDerWaalsContact C-N 3.34Å
191R49Very low49.5Very low175 Ų175133.4 Ų133.466%0.6667%0.673SS**Hα-helixtrans-72.7-25.4176.7-174.5159.5-81.9-137.7-5113.2M187M187-R191 WeakPolarHBondContact O-CB 3.49Å; M187-R191 PolarHBondContact O-N 3.45Å
192N45Very low49.6Very low98 Ų98136.3 Ų136.352%0.52467%0.671SS.*Hα-helixtrans-84.4-14.8179.8-131.72.9000113.9F188 S189 L190F188-N192 PolarHBondContact O-N 3.31Å; S189-N192 PolarHBondContact O-N 3.37Å; L190-N192 VanDerWaalsContact C-N 3.34Å
193Q52.5Low49.7Very low152 Ų152142.1 Ų142.171%0.7168%0.681SS**Hα-helixtrans-88.8-21.4172.8-81.7-74.9-45.800113.3S189S189-Q193 PolarHBondContact O-N 3.21Å
194I53.8Low49.4Very low130 Ų130144.1 Ų144.167%0.66769%0.689SS**Hα-helixtrans-82-18.4178.6-69170.1000112.5
195N47.4Very low49.2Very low139 Ų139148.7 Ų148.774%0.74370%0.696SS**THydrogen-bonded Turntrans-98.615.5179.5-88-6.4000114.3
196R49.6Very low49.4Very low208 Ų208144.8 Ų144.879%0.78569%0.69SS**  trans-136.939.2178.9-143.9-164.6-71.7-176.6-2.1114.3
197H42.2Very low49.1Very low250 Ų250147.3 Ų147.3100%1.15770%0.697SS**  trans-145.70161.1-115.6-67000111.5

Retrieved 197 of 197 residues in 32.1 ms (Link to these results)