A0A096NSA5_PAPAN Loading...

SNW domain-containing protein 1

Involved in pre-mRNA splicing.

AlphaFold DB (Q13573), UniProt , Accession A0A096NSA5, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 536 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.9Very low74Confident231 Ų231125.5 Ų125.5100%1.13874%0.739SS**  0117.90-66.9-174.9-174.800107.4
2A71.8Confident73.7Confident65 Ų65129.1 Ų129.154%0.53774%0.743SS.*  trans-78.9136.7-174.800000111.1T4 S5A2-T4 PolarHBondContact O-N 3.5Å; A2-S5 PolarHBondContact O-N 3.28Å; A2-S5 VanDerWaalsContact O-N 3.16Å; A2-S5 PolarHBondContact O-OG 2.61Å
3L73.1Confident73.6Confident151 Ų151124.3 Ų124.379%0.79171%0.712SS**G310 helixtrans-51.2-21.6178.5-87.9155.6000114.3S5 F6L3-S5 PolarHBondContact O-N 3.26Å; L3-F6 PolarHBondContact O-N 3.27Å
4T77Confident73.5Confident114 Ų114118.9 Ų118.970%0.69969%0.686SS**G310 helixtrans-64.1-22179.754.40000113.8A2 F6A2-T4 PolarHBondContact O-N 3.5Å; T4-F6 VanDerWaalsContact C-N 3.33Å; T4-F6 PolarHBondContact O-N 3.26Å
5S81.8Confident73.5Confident90 Ų90117.6 Ų117.663%0.62967%0.671SS**G310 helixtrans-78.7-12.5179.264.90000114.6A2 L3A2-S5 PolarHBondContact O-N 3.28Å; A2-S5 VanDerWaalsContact O-N 3.16Å; A2-S5 PolarHBondContact O-OG 2.61Å; L3-S5 PolarHBondContact O-N 3.26Å
6F81Confident73.7Confident164 Ų164115.7 Ų115.772%0.71966%0.658SS**G310 helixtrans-100.9-5.6-178.6-75.9-80.9000113.9L3 T4L3-F6 PolarHBondContact O-N 3.27Å; T4-F6 VanDerWaalsContact C-N 3.33Å; T4-F6 PolarHBondContact O-N 3.26Å
7L79.7Confident73.8Confident130 Ų130114.5 Ų114.568%0.68165%0.646SS**SBendtrans-92.5136.4-179.8-64.8175.7000110.8
8P79Confident73.9Confident117 Ų117113.1 Ų113.176%0.7664%0.636SS**PPolyproline II helixtrans-60.2146.1172.924.8-32.2000110.7
9A77Confident74.2Confident86 Ų86109.6 Ų109.671%0.71161%0.614SS**PPolyproline II helixtrans-58.5139.1-179.900000111.3T11A9-T11 PolarHBondContact O-N 3.06Å
10P72.2Confident74.5Confident87 Ų87106.9 Ų106.957%0.56561%0.606SS**PPolyproline II helixtrans-61.7132.2179.124.6-32.6000110.9Q12 L13P10-Q12 VanDerWaalsContact C-N 3.26Å; P10-Q12 PolarHBondContact O-N 2.78Å; P10-L13 HydrophobicContact CG-CD2 4.48Å
11T74.9Confident74.7Confident146 Ų146106.8 Ų106.890%0.89660%0.6SS**SBendtrans-77.9-8.9-179.753.40000113.8A9A9-T11 PolarHBondContact O-N 3.06Å
12Q70.5Confident76.2Confident168 Ų168102.6 Ų102.679%0.78558%0.578SS**  trans-128.3106.9178.4-68.4-175.6-10.600108.2P10P10-Q12 VanDerWaalsContact C-N 3.26Å; P10-Q12 PolarHBondContact O-N 2.78Å
13L71.4Confident76.6Confident67 Ų67106 Ų10635%0.35158%0.58SS.*  trans-90136.3173.3-67160.9000108.4P10 Q17 L18 E21P10-L13 HydrophobicContact CG-CD2 4.48Å; L13-Q17 HydrophobicContact CB-CB 4.04Å; L13-Q17 HydrophobicContact CD2-CB 3.99Å; L13-L18 HydrophobicContact CB-CD2 3.91Å; L13-L18 HydrophobicContact CB-CG 3.91Å; L13-L18 HydrophobicContact CD1-CD2 3.9Å; L13-E21 WeakPolarHBondContact CD1-OE2 3.28Å
14S73.2Confident76.8Confident49 Ų49100.8 Ų100.834%0.34356%0.559SS.*  trans-64.2159.517064.40000110.4D16 Q17 L18S14-D16 PolarHBondContact O-N 2.9Å; S14-Q17 CarbonylContact O-C 3.56Å; S14-Q17 WeakPolarHBondContact O-CA 3.4Å; S14-Q17 WeakPolarHBondContact O-CB 3.3Å; S14-Q17 PolarHBondContact O-N 2.76Å; S14-Q17 WeakPolarHBondContact OG-CB 3.5Å; S14-Q17 VanDerWaalsContact OG-CG 3.28Å; S14-Q17 WeakPolarHBondContact OG-CG 3.41Å; S14-Q17 PolarHBondContact OG-N 3.28Å; S14-L18 PolarHBondContact O-N 2.8Å
15Q73.2Confident76.9Confident99 Ų99104.8 Ų104.846%0.46356%0.562SS.*Hα-helixtrans-58.5-36.1177.3-175.2163.7-12.500111.9Q17 L18 E19Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 2.98Å; Q15-L18 PolarHBondContact O-N 3.2Å; Q15-E19 WeakPolarHBondContact O-CB 3.25Å; Q15-E19 WeakPolarHBondContact O-CG 3.49Å; Q15-E19 PolarHBondContact O-N 3.37Å
16D76.8Confident76.5Confident87 Ų87103.1 Ų103.147%0.46555%0.55SS.*Hα-helixtrans-65.7-36.3173.5-66.4-24.5000112.3S14 A20S14-D16 PolarHBondContact O-N 2.9Å; D16-A20 WeakPolarHBondContact O-CB 2.95Å; D16-A20 PolarHBondContact O-N 2.77Å
17Q75.5Confident76.2Confident96 Ų96101.4 Ų101.445%0.44954%0.544SS..Hα-helixtrans-69.6-36.4173.3-75.8174.1-8.100111.6L13 S14 Q15 A20 E21L13-Q17 HydrophobicContact CB-CB 4.04Å; L13-Q17 HydrophobicContact CD2-CB 3.99Å; S14-Q17 CarbonylContact O-C 3.56Å; S14-Q17 WeakPolarHBondContact O-CA 3.4Å; S14-Q17 WeakPolarHBondContact O-CB 3.3Å; S14-Q17 PolarHBondContact O-N 2.76Å; S14-Q17 WeakPolarHBondContact OG-CB 3.5Å; S14-Q17 VanDerWaalsContact OG-CG 3.28Å; S14-Q17 WeakPolarHBondContact OG-CG 3.41Å; S14-Q17 PolarHBondContact OG-N 3.28Å; Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 2.98Å; Q17-A20 PolarHBondContact O-N 2.86Å; Q17-E21 WeakPolarHBondContact O-CB 3.47Å; Q17-E21 PolarHBondContact O-N 3.3Å
18L75.8Confident75.7Confident89 Ų89103.9 Ų103.947%0.46655%0.545SS..Hα-helixtrans-66-44.9173.2-70.6170.1000111.1L13 S14 Q15 A20 E21 E22L13-L18 HydrophobicContact CB-CD2 3.91Å; L13-L18 HydrophobicContact CB-CG 3.91Å; L13-L18 HydrophobicContact CD1-CD2 3.9Å; S14-L18 PolarHBondContact O-N 2.8Å; Q15-L18 PolarHBondContact O-N 3.2Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 3.32Å; L18-E21 PolarHBondContact O-N 2.92Å; L18-E22 VanDerWaalsContact O-CB 3.24Å; L18-E22 WeakPolarHBondContact O-CB 3.17Å; L18-E22 PolarHBondContact O-N 3.14Å
19E78.6Confident75Confident47 Ų47101.8 Ų101.822%0.2253%0.533CS..Hα-helixtrans-63.2-40.2174.5-74.8-174.9-165.600111Q15 K23 K95Q15-E19 WeakPolarHBondContact O-CB 3.25Å; Q15-E19 WeakPolarHBondContact O-CG 3.49Å; Q15-E19 PolarHBondContact O-N 3.37Å; E19-K23 VanDerWaalsContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CB 3.43Å; E19-K23 VanDerWaalsContact O-CG 3.27Å; E19-K23 WeakPolarHBondContact O-CG 3.15Å; E19-K23 PolarHBondContact O-N 3.42Å; E19-K95 IonicContact OE1-NZ 3.7Å; E19-K95 PolarHBondContact OE1-NZ 3.03Å; E19-K95 IonicContact OE2-NZ 3.2Å; E19-K95 PolarHBondContact OE2-NZ 2.95Å
20A80.3Confident74.3Confident54 Ų54107.1 Ų107.145%0.44653%0.534SS..Hα-helixtrans-69.7-38.2176.700000112.2D16 Q17 L18 K23 A24D16-A20 WeakPolarHBondContact O-CB 2.95Å; D16-A20 PolarHBondContact O-N 2.77Å; Q17-A20 PolarHBondContact O-N 2.86Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 3.32Å; A20-K23 PolarHBondContact O-N 2.78Å; A20-A24 VanDerWaalsContact O-CB 3.25Å; A20-A24 WeakPolarHBondContact O-CB 3.32Å; A20-A24 PolarHBondContact O-N 3.28Å
21E78Confident73.8Confident106 Ų106110.9 Ų110.950%0.49554%0.544SS..Hα-helixtrans-71.4-37.5176.7-163.5179.9-154.200110.6L13 Q17 L18 A24 R25L13-E21 WeakPolarHBondContact CD1-OE2 3.28Å; Q17-E21 WeakPolarHBondContact O-CB 3.47Å; Q17-E21 PolarHBondContact O-N 3.3Å; L18-E21 PolarHBondContact O-N 2.92Å; E21-A24 CarbonylContact O-C 3.57Å; E21-A24 PolarHBondContact O-N 3.47Å; E21-R25 WeakPolarHBondContact O-CB 3.36Å; E21-R25 PolarHBondContact O-N 2.96Å
22E79.1Confident73.1Confident142 Ų142109.2 Ų109.266%0.66453%0.534SS*.Hα-helixtrans-67.6-39.3172.7-166.8173.2-165.100111.6L18 R25 S26L18-E22 VanDerWaalsContact O-CB 3.24Å; L18-E22 WeakPolarHBondContact O-CB 3.17Å; L18-E22 PolarHBondContact O-N 3.14Å; E22-R25 PolarHBondContact O-N 2.83Å; E22-S26 WeakPolarHBondContact O-CB 3.38Å; E22-S26 PolarHBondContact O-N 3.42Å; E22-S26 PolarHBondContact O-OG 3.16Å
23K80.2Confident72.1Confident136 Ų136104.9 Ų104.959%0.59152%0.522SS*.Hα-helixtrans-62.3-44.3168.7-79.8174.8179.51740111.9E19 A20 R25 S26 Q27E19-K23 VanDerWaalsContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CB 3.43Å; E19-K23 VanDerWaalsContact O-CG 3.27Å; E19-K23 WeakPolarHBondContact O-CG 3.15Å; E19-K23 PolarHBondContact O-N 3.42Å; A20-K23 PolarHBondContact O-N 2.78Å; K23-R25 VanDerWaalsContact C-N 3.32Å; K23-R25 PolarHBondContact O-N 3.18Å; K23-S26 WeakPolarHBondContact CA-OG 3.46Å; K23-S26 PolarHBondContact O-N 2.96Å; K23-S26 PolarHBondContact O-OG 2.74Å; K23-Q27 WeakPolarHBondContact O-CB 3.44Å; K23-Q27 WeakPolarHBondContact O-CG 3.38Å; K23-Q27 PolarHBondContact O-N 2.84Å
24A78.2Confident71.1Confident42 Ų42109.3 Ų109.335%0.34755%0.546SS..Hα-helixtrans-67.1-34.8177.300000111.6A20 E21 Q27 R28A20-A24 VanDerWaalsContact O-CB 3.25Å; A20-A24 WeakPolarHBondContact O-CB 3.32Å; A20-A24 PolarHBondContact O-N 3.28Å; E21-A24 CarbonylContact O-C 3.57Å; E21-A24 PolarHBondContact O-N 3.47Å; A24-Q27 PolarHBondContact O-N 3.21Å; A24-R28 VanDerWaalsContact O-CB 3.31Å; A24-R28 WeakPolarHBondContact O-CB 3.48Å; A24-R28 WeakPolarHBondContact O-CG 3.4Å; A24-R28 PolarHBondContact O-N 3.15Å
25R77.6Confident69.8Low198 Ų198113.9 Ų113.975%0.74757%0.571SS**Hα-helixtrans-73-38.9178-160.3173.5-170.1-174.73111.4E21 E22 K23 R28 S29E21-R25 WeakPolarHBondContact O-CB 3.36Å; E21-R25 PolarHBondContact O-N 2.96Å; E22-R25 PolarHBondContact O-N 2.83Å; K23-R25 VanDerWaalsContact C-N 3.32Å; K23-R25 PolarHBondContact O-N 3.18Å; R25-R28 PolarHBondContact O-N 3.48Å; R25-S29 WeakPolarHBondContact O-CB 3.45Å; R25-S29 PolarHBondContact O-N 3.2Å
26S75.3Confident68.9Low56 Ų56113.8 Ų113.839%0.39258%0.581SS.*Hα-helixtrans-69.7-33.2171.357.90000112.5E22 K23 S29 R30E22-S26 WeakPolarHBondContact O-CB 3.38Å; E22-S26 PolarHBondContact O-N 3.42Å; E22-S26 PolarHBondContact O-OG 3.16Å; K23-S26 WeakPolarHBondContact CA-OG 3.46Å; K23-S26 PolarHBondContact O-N 2.96Å; K23-S26 PolarHBondContact O-OG 2.74Å; S26-S29 PolarHBondContact O-OG 3Å; S26-S29 VanDerWaalsContact O-OG 3.11Å; S26-R30 WeakPolarHBondContact O-CG 3.39Å; S26-R30 PolarHBondContact O-N 2.72Å
27Q73.9Confident67.9Low128 Ų128114.4 Ų114.460%0.59859%0.592SS**Hα-helixtrans-70.5-42.1170.6-77.3-176.5-17.500112.5K23 A24 R30 Q31K23-Q27 WeakPolarHBondContact O-CB 3.44Å; K23-Q27 WeakPolarHBondContact O-CG 3.38Å; K23-Q27 PolarHBondContact O-N 2.84Å; A24-Q27 PolarHBondContact O-N 3.21Å; Q27-R30 WeakPolarHBondContact O-CB 3.39Å; Q27-R30 PolarHBondContact O-N 3.32Å; Q27-Q31 PolarHBondContact O-N 3.05Å
28R70Confident67.1Low182 Ų182119.5 Ų119.569%0.68761%0.607SS**Hα-helixtrans-67-37.5175.4-84.7-177.3175.9176.50.1112.3A24 R25 R30 Q31 T32A24-R28 VanDerWaalsContact O-CB 3.31Å; A24-R28 WeakPolarHBondContact O-CB 3.48Å; A24-R28 WeakPolarHBondContact O-CG 3.4Å; A24-R28 PolarHBondContact O-N 3.15Å; R25-R28 PolarHBondContact O-N 3.48Å; R28-R30 PolarHBondContact O-N 3.42Å; R28-Q31 PolarHBondContact O-N 3.18Å; R28-Q31 VanDerWaalsContact O-N 3.15Å; R28-T32 PolarHBondContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.03Å
29S64.2Low66.8Low72 Ų72122.5 Ų122.550%0.50361%0.612SS.*Hα-helixtrans-64.5-33.2173.5810000111.2R25 S26 S33R25-S29 WeakPolarHBondContact O-CB 3.45Å; R25-S29 PolarHBondContact O-N 3.2Å; S26-S29 PolarHBondContact O-OG 3Å; S26-S29 VanDerWaalsContact O-OG 3.11Å; S29-S33 PolarHBondContact O-N 3.49Å
30R62.2Low66.9Low199 Ų199127.3 Ų127.375%0.75164%0.635SS**Hα-helixtrans-69.1-30.9171-77.3177.3175.2-178.9-1.2114S26 Q27 R28S26-R30 WeakPolarHBondContact O-CG 3.39Å; S26-R30 PolarHBondContact O-N 2.72Å; Q27-R30 WeakPolarHBondContact O-CB 3.39Å; Q27-R30 PolarHBondContact O-N 3.32Å; R28-R30 PolarHBondContact O-N 3.42Å
31Q61.8Low67.2Low166 Ų166126.3 Ų126.378%0.77662%0.624SS**Hα-helixtrans-89.1-23.9-179-76.2-175.9-24.500114.3Q27 R28Q27-Q31 PolarHBondContact O-N 3.05Å; R28-Q31 PolarHBondContact O-N 3.18Å; R28-Q31 VanDerWaalsContact O-N 3.15Å
32T60.3Low67.7Low110 Ų110123 Ų12368%0.67561%0.611SS**Hα-helixtrans-106.2-1.4-176.756.30000113.9R28 L34R28-T32 PolarHBondContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.03Å; T32-L34 PolarHBondContact O-N 3.11Å
33S48.9Very low68.1Low77 Ų77120.3 Ų120.354%0.53861%0.606SS.*SBendtrans-66.8102.4165.162.20000108.5S29 V35S29-S33 PolarHBondContact O-N 3.49Å; S33-V35 PolarHBondContact O-N 2.83Å
34L49.9Very low68.6Low161 Ų161122.8 Ų122.884%0.84361%0.614SS**  trans-31.7128152.2-77.9154000107.6T32 S36T32-L34 PolarHBondContact O-N 3.11Å; L34-S36 PolarHBondContact O-N 2.78Å
35V45.6Very low69.1Low145 Ų145123.4 Ų123.488%0.87962%0.624SS**  trans-55.584.7-176.8-178.10000108.9S33 S37S33-V35 PolarHBondContact O-N 2.83Å; V35-S37 PolarHBondContact O-N 3.45Å
36S54.4Low69.7Low96 Ų96122.8 Ų122.867%0.67162%0.623SS**  trans-67.3116.7163-178.60000103.8L34 R38L34-S36 PolarHBondContact O-N 2.78Å; S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 2.73Å
37S55.2Low70.3Confident100 Ų100122.4 Ų122.470%0.69961%0.613SS**  trans-51.6100.317653.90000107.9V35 R39V35-S37 PolarHBondContact O-N 3.45Å; S37-R39 PolarHBondContact O-N 3.37Å
38R59.1Low70.9Confident203 Ų203126 Ų12677%0.76663%0.626SS**  trans-58.7118.7176.2-73.2-176.3174.2-170.5-2.5106.2S36 E40S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 2.73Å; R38-E40 HydrophobicContact CB-CG 4.25Å; R38-E40 PolarHBondContact O-N 3.47Å
39R70.7Confident71.6Confident152 Ų152121.2 Ų121.257%0.57463%0.634SS**  trans-68.292.1167.4-76.4-175.8175.4-174.11.8106.5S37 D57S37-R39 PolarHBondContact O-N 3.37Å; R39-D57 IonicContact NH1-OD1 3.97Å
40E80Confident72.8Confident148 Ų148120.8 Ų120.869%0.69262%0.621SS**PPolyproline II helixtrans-80.2136.3173.5-69.1-171.5171.600109.3R38R38-E40 HydrophobicContact CB-CG 4.25Å; R38-E40 PolarHBondContact O-N 3.47Å
41P87Confident74.1Confident33 Ų33115.4 Ų115.421%0.21461%0.606CS.*PPolyproline II helixtrans-62.6142.717627.2-35.2000109.8W50 F64P41-W50 HydrophobicContact CB-CH2 3.38Å; P41-W50 HydrophobicContact CB-CZ2 4.08Å; P41-W50 HydrophobicContact CB-CZ3 3.92Å; P41-F64 HydrophobicContact CB-CE1 4.36Å; P41-F64 HydrophobicContact CB-CE2 4.21Å; P41-F64 HydrophobicContact CB-CZ 3.59Å; P41-F64 HydrophobicContact CG-CZ 3.96Å
42P88Confident75.4Confident36 Ų36107.7 Ų107.723%0.23457%0.57CS.*PPolyproline II helixtrans-53.2141.7172.6-22.631.4000110.6Y46 R47 W50P42-Y46 WeakPolarHBondContact CB-O 3.25Å; P42-R47 HydrophobicContact CB-CG 4.04Å; P42-R47 VanDerWaalsContact O-CG 3.3Å; P42-R47 WeakPolarHBondContact O-CG 3.31Å; P42-R47 PolarHBondContact O-NE 3.46Å; P42-W50 HydrophobicContact CG-CD2 4.1Å; P42-W50 HydrophobicContact CG-CE3 4.2Å; P42-W50 HydrophobicContact CG-CG 4.28Å
43P88.7Confident76.7Confident86 Ų86111.7 Ų111.756%0.55857%0.573SS**PPolyproline II helixtrans-62.7159.1176.723.6-30.5000111G45 Y46P43-G45 PolarHBondContact O-N 2.86Å; P43-Y46 HydrophobicContact CG-CD2 3.92Å; P43-Y46 PolarHBondContact O-N 2.89Å
44Y89.6Confident78.6Confident189 Ų189112.8 Ų112.874%0.74157%0.573SS**THydrogen-bonded Turntrans-54130.8177.4-179.3-111.5000110.4
45G89Confident80.5Confident54 Ų54109.2 Ų109.256%0.55755%0.554SS**THydrogen-bonded Turntrans105.3-30.5-17000000114.5P43P43-G45 PolarHBondContact O-N 2.86Å
46Y89.5Confident82.5Confident185 Ų185108.8 Ų108.873%0.72554%0.542SS*.SBendtrans-107.914-177.8-63-87.8000113.9P42 P43P42-Y46 WeakPolarHBondContact CB-O 3.25Å; P43-Y46 HydrophobicContact CG-CD2 3.92Å; P43-Y46 PolarHBondContact O-N 2.89Å
47R87.6Confident84.2Confident49 Ų49105 Ų10519%0.18551%0.514CS..  trans-90.3-0.9-177.2-66.9169.6-176.3164.50.2114.3P42 G49 W50 E66P42-R47 HydrophobicContact CB-CG 4.04Å; P42-R47 VanDerWaalsContact O-CG 3.3Å; P42-R47 WeakPolarHBondContact O-CG 3.31Å; P42-R47 PolarHBondContact O-NE 3.46Å; R47-G49 PolarHBondContact O-N 2.93Å; R47-W50 HydrophobicContact CB-CE3 4.33Å; R47-W50 HydrophobicContact CG-CE3 4.13Å; R47-W50 HydrophobicContact CG-CZ3 4.32Å; R47-W50 PolarHBondContact O-N 3.19Å; R47-E66 WeakPolarHBondContact CD-OE1 3.39Å; R47-E66 IonicContact CZ-OE1 3.85Å; R47-E66 IonicContact NE-OE1 2.65Å; R47-E66 IonicContact NH1-OE1 3.3Å; R47-E66 PolarHBondContact NH1-OE1 3.49Å
48K86.6Confident85.8Confident202 Ų202100.6 Ų100.688%0.87848%0.483SS*.THydrogen-bonded Turntrans-63.5122.9179.7-68.5-169.9176.9-175.80110.1W50K48-W50 VanDerWaalsContact C-N 3.33Å; K48-W50 PolarHBondContact O-N 2.95Å
49G85.6Confident87Confident82 Ų8293 Ų9385%0.84547%0.467SS*.THydrogen-bonded Turntrans86.1-8.4178.500000115.6R47R47-G49 PolarHBondContact O-N 2.93Å
50W88.5Confident87.7Confident64 Ų6494 Ų9424%0.24249%0.485CS..  trans-89.4136174.1172.568.8000110.3P41 P42 R47 K48 P52 D57 F64 I67P41-W50 HydrophobicContact CB-CH2 3.38Å; P41-W50 HydrophobicContact CB-CZ2 4.08Å; P41-W50 HydrophobicContact CB-CZ3 3.92Å; P42-W50 HydrophobicContact CG-CD2 4.1Å; P42-W50 HydrophobicContact CG-CE3 4.2Å; P42-W50 HydrophobicContact CG-CG 4.28Å; R47-W50 HydrophobicContact CB-CE3 4.33Å; R47-W50 HydrophobicContact CG-CE3 4.13Å; R47-W50 HydrophobicContact CG-CZ3 4.32Å; R47-W50 PolarHBondContact O-N 3.19Å; K48-W50 VanDerWaalsContact C-N 3.33Å; K48-W50 PolarHBondContact O-N 2.95Å; W50-P52 HydrophobicContact CH2-CB 3.95Å; W50-P52 HydrophobicContact CH2-CG 4.18Å; W50-P52 HydrophobicContact CZ2-CB 3.9Å; W50-P52 HydrophobicContact CZ3-CG 4.36Å; W50-D57 VanDerWaalsContact CH2-O 3.25Å; W50-D57 WeakPolarHBondContact CH2-O 3.36Å; W50-D57 HydrophobicContact CZ2-CB 4Å; W50-D57 WeakPolarHBondContact CZ2-O 3.37Å; W50-F64 AromaticContact CH2-CD2 3.99Å; W50-F64 HydrophobicContact CH2-CD2 3.99Å; W50-F64 AromaticContact CH2-CE2 3.37Å; W50-F64 HydrophobicContact CH2-CE2 3.37Å; W50-F64 AromaticContact CH2-CZ 3.98Å; W50-F64 HydrophobicContact CH2-CZ 3.98Å; W50-F64 AromaticContact CZ3-CD2 3.64Å; W50-F64 HydrophobicContact CZ3-CD2 3.64Å; W50-F64 AromaticContact CZ3-CE2 3.45Å; W50-F64 HydrophobicContact CZ3-CE2 3.45Å; W50-F64 VanDerWaalsContact CZ3-CE2 3.45Å; W50-F64 HydrophobicContact CZ3-CG 4.37Å; W50-F64 HydrophobicContact CZ3-CZ 4.04Å; W50-I67 HydrophobicContact CE3-CD1 3.74Å; W50-I67 HydrophobicContact CZ3-CD1 3.95Å; W50-I67 WeakPolarHBondContact O-CD1 3.34Å
51I90.8Very high88.1Confident85 Ų8588.1 Ų88.144%0.43646%0.463SS..  trans-130.3105.5-175.6-55.4175.5000108.6R53 V69I51-R53 HydrophobicContact CG2-CG 4.38Å; I51-V69 HydrophobicContact CG2-CB 4.5Å; I51-V69 HydrophobicContact CG2-CG1 3.93Å
52P89.3Confident88.3Confident4 Ų488.7 Ų88.73%0.02648%0.475CS..  trans-74128.6178.830.4-34.5000110.4W50 D57 F58 F64 I67 Q71W50-P52 HydrophobicContact CH2-CB 3.95Å; W50-P52 HydrophobicContact CH2-CG 4.18Å; W50-P52 HydrophobicContact CZ2-CB 3.9Å; W50-P52 HydrophobicContact CZ3-CG 4.36Å; P52-D57 WeakPolarHBondContact CA-OD2 3.14Å; P52-D57 HydrophobicContact CB-CB 3.49Å; P52-D57 VanDerWaalsContact CB-CB 3.49Å; P52-F58 HydrophobicContact CB-CD1 4.03Å; P52-F58 HydrophobicContact CB-CE1 3.48Å; P52-F58 VanDerWaalsContact CB-CE1 3.48Å; P52-F58 HydrophobicContact CB-CE2 4.46Å; P52-F58 HydrophobicContact CB-CZ 3.73Å; P52-F58 HydrophobicContact CG-CD1 4.24Å; P52-F58 HydrophobicContact CG-CE1 3.48Å; P52-F58 VanDerWaalsContact CG-CE1 3.48Å; P52-F58 HydrophobicContact CG-CZ 4.01Å; P52-F64 HydrophobicContact CG-CD2 4.01Å; P52-F64 HydrophobicContact CG-CE2 4.32Å; P52-I67 HydrophobicContact CG-CD1 4.18Å; P52-Q71 HydrophobicContact CG-CG 4.04Å
53R87.1Confident88.5Confident195 Ų19589.6 Ų89.674%0.73649%0.485SS*.  trans-126.4-33.7-179.4-67.9-177.7178179.4-0112.7I51 D57I51-R53 HydrophobicContact CG2-CG 4.38Å; R53-D57 PolarHBondContact N-OD2 2.8Å
54L89.5Confident88.6Confident100 Ų10086.2 Ų86.252%0.52446%0.462SS..SBendtrans-90.8158178.4-74.5135.5000110.4E56 D57 F58L54-E56 PolarHBondContact O-N 3.37Å; L54-D57 PolarHBondContact N-OD2 3.36Å; L54-D57 WeakPolarHBondContact O-CB 3.37Å; L54-D57 PolarHBondContact O-N 3.3Å; L54-F58 WeakPolarHBondContact O-CD2 3.14Å; L54-F58 VanDerWaalsContact O-CE2 3.28Å; L54-F58 WeakPolarHBondContact O-CE2 3.27Å
55L88.7Confident88.7Confident86 Ų8682.5 Ų82.545%0.4546%0.461SS..G310 helixtrans-62-31177.8-81.473000111.8D57L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 2.77Å
56E87.8Confident88.8Confident136 Ų13683.4 Ų83.464%0.63645%0.451SS*.G310 helixtrans-71.9-22.2-179.6-62177.6-177.900113.3L54 F58 G59L54-E56 PolarHBondContact O-N 3.37Å; E56-F58 PolarHBondContact O-N 3.26Å; E56-G59 PolarHBondContact O-N 3.05Å
57D89.7Confident88.8Confident16 Ų1675.5 Ų75.59%0.08642%0.421CS..G310 helixtrans-68-18.9-177.1-64-29.6000112.1R39 W50 P52 R53 L54 L55R39-D57 IonicContact NH1-OD1 3.97Å; W50-D57 VanDerWaalsContact CH2-O 3.25Å; W50-D57 WeakPolarHBondContact CH2-O 3.36Å; W50-D57 HydrophobicContact CZ2-CB 4Å; W50-D57 WeakPolarHBondContact CZ2-O 3.37Å; P52-D57 WeakPolarHBondContact CA-OD2 3.14Å; P52-D57 HydrophobicContact CB-CB 3.49Å; P52-D57 VanDerWaalsContact CB-CB 3.49Å; R53-D57 PolarHBondContact N-OD2 2.8Å; L54-D57 PolarHBondContact N-OD2 3.36Å; L54-D57 WeakPolarHBondContact O-CB 3.37Å; L54-D57 PolarHBondContact O-N 3.3Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 2.77Å
58F89Confident89Confident7 Ų782.1 Ų82.13%0.03145%0.453CS..G310 helixtrans-89.1-1.4-177.5-55.4-72.5000113.5P52 L54 E56 D60 G61 G62 F64 Q71 P73P52-F58 HydrophobicContact CB-CD1 4.03Å; P52-F58 HydrophobicContact CB-CE1 3.48Å; P52-F58 VanDerWaalsContact CB-CE1 3.48Å; P52-F58 HydrophobicContact CB-CE2 4.46Å; P52-F58 HydrophobicContact CB-CZ 3.73Å; P52-F58 HydrophobicContact CG-CD1 4.24Å; P52-F58 HydrophobicContact CG-CE1 3.48Å; P52-F58 VanDerWaalsContact CG-CE1 3.48Å; P52-F58 HydrophobicContact CG-CZ 4.01Å; L54-F58 WeakPolarHBondContact O-CD2 3.14Å; L54-F58 VanDerWaalsContact O-CE2 3.28Å; L54-F58 WeakPolarHBondContact O-CE2 3.27Å; E56-F58 PolarHBondContact O-N 3.26Å; F58-D60 PolarHBondContact O-N 2.75Å; F58-D60 VanDerWaalsContact O-N 3.16Å; F58-G61 CarbonylContact O-C 3.58Å; F58-G61 PolarHBondContact O-N 2.87Å; F58-G61 VanDerWaalsContact O-O 3.05Å; F58-G62 WeakPolarHBondContact CD1-O 3.14Å; F58-F64 HydrophobicContact CD1-CD2 4.35Å; F58-F64 AromaticContact CD1-CE2 3.78Å; F58-F64 HydrophobicContact CD1-CE2 3.78Å; F58-F64 HydrophobicContact CE1-CE2 4.36Å; F58-Q71 HydrophobicContact CE1-CB 3.78Å; F58-Q71 HydrophobicContact CE1-CG 4Å; F58-Q71 HydrophobicContact CZ-CB 3.85Å; F58-Q71 HydrophobicContact CZ-CG 4.22Å; F58-P73 HydrophobicContact CB-CB 4.5Å; F58-P73 HydrophobicContact CD1-CG 3.99Å; F58-P73 HydrophobicContact CD2-CB 4.27Å; F58-P73 HydrophobicContact CD2-CG 4.3Å; F58-P73 HydrophobicContact CE1-CG 4.18Å; F58-P73 HydrophobicContact CE2-CG 4.48Å; F58-P73 HydrophobicContact CG-CB 4.22Å; F58-P73 HydrophobicContact CG-CG 4.06Å; F58-P73 HydrophobicContact CZ-CG 4.43Å
59G85.2Confident89.2Confident43 Ų4375.6 Ų75.644%0.44343%0.431SS..THydrogen-bonded Turntrans62-115-173.500000111.7E56 G61E56-G59 PolarHBondContact O-N 3.05Å; G59-G61 PolarHBondContact O-N 3.47Å
60D85.5Confident89.5Confident175 Ų17574.8 Ų74.894%0.93642%0.416SS*.THydrogen-bonded Turntrans-82.96.8174.7-161.341.4000113.2F58F58-D60 PolarHBondContact O-N 2.75Å; F58-D60 VanDerWaalsContact O-N 3.16Å
61G88.5Confident89.6Confident24 Ų2473 Ų7325%0.24741%0.41CS..  trans108.3-167.3-179.400000113.1F58 G59F58-G61 CarbonylContact O-C 3.58Å; F58-G61 PolarHBondContact O-N 2.87Å; F58-G61 VanDerWaalsContact O-O 3.05Å; G59-G61 PolarHBondContact O-N 3.47Å
62G89.5Confident89.7Confident44 Ų4472.9 Ų72.945%0.45441%0.405SS..  trans90.3136.7-172.500000112.5F58 P73F58-G62 WeakPolarHBondContact CD1-O 3.14Å; G62-P73 VanDerWaalsContact C-CG 3.45Å; G62-P73 WeakPolarHBondContact O-CG 3.41Å
63A91.9Very high89.8Confident55 Ų5573.2 Ų73.246%0.45541%0.407SS..  trans-100.6141.2173.400000109P65 Q71 P73A63-P65 VanDerWaalsContact O-CD 3.32Å; A63-P65 WeakPolarHBondContact O-CD 3.31Å; A63-Q71 HydrophobicContact CB-CB 3.85Å; A63-P73 HydrophobicContact CB-CG 3.98Å
64F91.6Very high90Very high16 Ų1669.6 Ų69.67%0.0740%0.401CS..  trans-95.2104.7-174.9-52.6-69.6000110P41 W50 P52 F58 E66 I67 Q71P41-F64 HydrophobicContact CB-CE1 4.36Å; P41-F64 HydrophobicContact CB-CE2 4.21Å; P41-F64 HydrophobicContact CB-CZ 3.59Å; P41-F64 HydrophobicContact CG-CZ 3.96Å; W50-F64 AromaticContact CH2-CD2 3.99Å; W50-F64 HydrophobicContact CH2-CD2 3.99Å; W50-F64 AromaticContact CH2-CE2 3.37Å; W50-F64 HydrophobicContact CH2-CE2 3.37Å; W50-F64 AromaticContact CH2-CZ 3.98Å; W50-F64 HydrophobicContact CH2-CZ 3.98Å; W50-F64 AromaticContact CZ3-CD2 3.64Å; W50-F64 HydrophobicContact CZ3-CD2 3.64Å; W50-F64 AromaticContact CZ3-CE2 3.45Å; W50-F64 HydrophobicContact CZ3-CE2 3.45Å; W50-F64 VanDerWaalsContact CZ3-CE2 3.45Å; W50-F64 HydrophobicContact CZ3-CG 4.37Å; W50-F64 HydrophobicContact CZ3-CZ 4.04Å; P52-F64 HydrophobicContact CG-CD2 4.01Å; P52-F64 HydrophobicContact CG-CE2 4.32Å; F58-F64 HydrophobicContact CD1-CD2 4.35Å; F58-F64 AromaticContact CD1-CE2 3.78Å; F58-F64 HydrophobicContact CD1-CE2 3.78Å; F58-F64 HydrophobicContact CE1-CE2 4.36Å; F64-E66 PolarHBondContact O-N 3.32Å; F64-I67 HydrophobicContact CB-CD1 3.79Å; F64-I67 HydrophobicContact CB-CG1 3.96Å; F64-I67 HydrophobicContact CD2-CD1 4.02Å; F64-I67 HydrophobicContact CG-CD1 4.19Å; F64-I67 PolarHBondContact O-N 3.27Å; F64-Q71 PolarHBondContact O-NE2 3.49Å
65P92Very high90.1Very high111 Ų11167.1 Ų67.172%0.72139%0.389SS*.THydrogen-bonded Turntrans-62.7-23.4-175.326.2-35.8000113.6A63 I67 H68A63-P65 VanDerWaalsContact O-CD 3.32Å; A63-P65 WeakPolarHBondContact O-CD 3.31Å; P65-I67 PolarHBondContact O-N 3.16Å; P65-H68 PolarHBondContact O-CD2 3.08Å
66E90.8Very high90.2Very high72 Ų7268.8 Ų68.834%0.33640%0.396SS..THydrogen-bonded Turntrans-70.6-15175.767.7-85.9-153.100113.7R47 F64R47-E66 WeakPolarHBondContact CD-OE1 3.39Å; R47-E66 IonicContact CZ-OE1 3.85Å; R47-E66 IonicContact NE-OE1 2.65Å; R47-E66 IonicContact NH1-OE1 3.3Å; R47-E66 PolarHBondContact NH1-OE1 3.49Å; F64-E66 PolarHBondContact O-N 3.32Å
67I90.1Very high90.3Very high20 Ų2065.8 Ų65.810%0.10340%0.401CS..SBendtrans-101.4104.5175.4-49175000107.4W50 P52 F64 P65 V69 Q71W50-I67 HydrophobicContact CE3-CD1 3.74Å; W50-I67 HydrophobicContact CZ3-CD1 3.95Å; W50-I67 WeakPolarHBondContact O-CD1 3.34Å; P52-I67 HydrophobicContact CG-CD1 4.18Å; F64-I67 HydrophobicContact CB-CD1 3.79Å; F64-I67 HydrophobicContact CB-CG1 3.96Å; F64-I67 HydrophobicContact CD2-CD1 4.02Å; F64-I67 HydrophobicContact CG-CD1 4.19Å; F64-I67 PolarHBondContact O-N 3.27Å; P65-I67 PolarHBondContact O-N 3.16Å; I67-V69 HydrophobicContact CG2-CG1 3.88Å; I67-V69 PolarHBondContact O-N 3.41Å; I67-Q71 PolarHBondContact O-NE2 3.24Å
68H91.1Very high90.4Very high187 Ų18770.4 Ų70.487%0.86642%0.418SS*.  trans-76.252.9-174.7-57.3169.1000113.3P65P65-H68 PolarHBondContact O-CD2 3.08Å
69V90.7Very high90.6Very high66 Ų6680.3 Ų80.340%0.446%0.461SS..SBendtrans-127.4148.1170.475.30000108.6I51 I67 Q71I51-V69 HydrophobicContact CG2-CB 4.5Å; I51-V69 HydrophobicContact CG2-CG1 3.93Å; I67-V69 HydrophobicContact CG2-CG1 3.88Å; I67-V69 PolarHBondContact O-N 3.41Å; V69-Q71 HydrophobicContact CG1-CG 3.75Å; V69-Q71 WeakPolarHBondContact O-CG 3.14Å; V69-Q71 PolarHBondContact O-N 3.4Å; V69-Q71 VanDerWaalsContact O-N 3.14Å; V69-Q71 PolarHBondContact O-NE2 2.8Å
70A91.6Very high90.8Very high65 Ų6585.1 Ų85.154%0.53747%0.469SS..  trans-66.8114.517300000109.9Y72A70-Y72 HydrophobicContact CB-CE1 4.35Å; A70-Y72 HydrophobicContact CB-CE2 4.1Å; A70-Y72 WeakPolarHBondContact CB-OH 3.24Å
71Q92Very high91.1Very high25 Ų2586.3 Ų86.312%0.11747%0.466CS..  trans-107.7138.3-178.1-67.9163.661.100109P52 F58 A63 F64 I67 V69 P73P52-Q71 HydrophobicContact CG-CG 4.04Å; F58-Q71 HydrophobicContact CE1-CB 3.78Å; F58-Q71 HydrophobicContact CE1-CG 4Å; F58-Q71 HydrophobicContact CZ-CB 3.85Å; F58-Q71 HydrophobicContact CZ-CG 4.22Å; A63-Q71 HydrophobicContact CB-CB 3.85Å; F64-Q71 PolarHBondContact O-NE2 3.49Å; I67-Q71 PolarHBondContact O-NE2 3.24Å; V69-Q71 HydrophobicContact CG1-CG 3.75Å; V69-Q71 WeakPolarHBondContact O-CG 3.14Å; V69-Q71 PolarHBondContact O-N 3.4Å; V69-Q71 VanDerWaalsContact O-N 3.14Å; V69-Q71 PolarHBondContact O-NE2 2.8Å; Q71-P73 VanDerWaalsContact C-CD 3.46Å; Q71-P73 WeakPolarHBondContact O-CD 3.28Å
72Y93Very high91.3Very high83 Ų8394.6 Ų94.633%0.32550%0.501SS..  trans-128.168.4-175.1-53.4-66000111.3A70 L74 D75 M76 R78A70-Y72 HydrophobicContact CB-CE1 4.35Å; A70-Y72 HydrophobicContact CB-CE2 4.1Å; A70-Y72 WeakPolarHBondContact CB-OH 3.24Å; Y72-L74 PolarHBondContact O-N 2.81Å; Y72-D75 PolarHBondContact O-N 2.82Å; Y72-M76 WeakPolarHBondContact CB-O 3.43Å; Y72-M76 WeakPolarHBondContact CD1-O 3.47Å; Y72-R78 HydrophobicContact CD1-CG 3.73Å; Y72-R78 HydrophobicContact CD2-CG 3.81Å; Y72-R78 HydrophobicContact CE1-CG 4.07Å; Y72-R78 HydrophobicContact CE2-CG 4.16Å; Y72-R78 HydrophobicContact CG-CG 3.54Å
73P91.1Very high91.3Very high11 Ų1196.6 Ų96.67%0.07151%0.508CS..G310 helixtrans-53.4131.7170.6-19.630.1000110F58 G62 A63 Q71 D75 M76F58-P73 HydrophobicContact CB-CB 4.5Å; F58-P73 HydrophobicContact CD1-CG 3.99Å; F58-P73 HydrophobicContact CD2-CB 4.27Å; F58-P73 HydrophobicContact CD2-CG 4.3Å; F58-P73 HydrophobicContact CE1-CG 4.18Å; F58-P73 HydrophobicContact CE2-CG 4.48Å; F58-P73 HydrophobicContact CG-CB 4.22Å; F58-P73 HydrophobicContact CG-CG 4.06Å; F58-P73 HydrophobicContact CZ-CG 4.43Å; G62-P73 VanDerWaalsContact C-CG 3.45Å; G62-P73 WeakPolarHBondContact O-CG 3.41Å; A63-P73 HydrophobicContact CB-CG 3.98Å; Q71-P73 VanDerWaalsContact C-CD 3.46Å; Q71-P73 WeakPolarHBondContact O-CD 3.28Å; P73-D75 PolarHBondContact O-N 3.43Å; P73-D75 VanDerWaalsContact O-N 3.13Å; P73-M76 WeakPolarHBondContact O-CB 3.4Å; P73-M76 PolarHBondContact O-N 2.78Å
74L90.3Very high91.4Very high119 Ų119102.6 Ų102.662%0.62353%0.533SS*.G310 helixtrans52.130.4-175.7-76.568.4000114.2Y72 M76Y72-L74 PolarHBondContact O-N 2.81Å; L74-M76 HydrophobicContact CB-CE 4.36Å; L74-M76 HydrophobicContact CB-CG 4.42Å; L74-M76 PolarHBondContact O-N 3.22Å
75D91.8Very high91.5Very high49 Ų49105.4 Ų105.426%0.26256%0.559SS.*G310 helixtrans55.820.8-175.4-71.9-54.4000114.4Y72 P73 R78 K80Y72-D75 PolarHBondContact O-N 2.82Å; P73-D75 PolarHBondContact O-N 3.43Å; P73-D75 VanDerWaalsContact O-N 3.13Å; D75-R78 WeakPolarHBondContact OD1-CD 3.48Å; D75-R78 IonicContact OD1-CZ 3.64Å; D75-R78 IonicContact OD1-NE 3.71Å; D75-R78 PolarHBondContact OD1-NE 2.92Å; D75-R78 IonicContact OD1-NH1 2.77Å; D75-R78 PolarHBondContact OD1-NH1 3.15Å; D75-K80 WeakPolarHBondContact O-CE 3.14Å
76M91.6Very high91.5Very high121 Ų121104.3 Ų104.360%0.59655%0.546SS*.THydrogen-bonded Turntrans-69.1146.2172.3-66.6-167.7-8100109.9Y72 P73 L74 R78Y72-M76 WeakPolarHBondContact CB-O 3.43Å; Y72-M76 WeakPolarHBondContact CD1-O 3.47Å; P73-M76 WeakPolarHBondContact O-CB 3.4Å; P73-M76 PolarHBondContact O-N 2.78Å; L74-M76 HydrophobicContact CB-CE 4.36Å; L74-M76 HydrophobicContact CB-CG 4.42Å; L74-M76 PolarHBondContact O-N 3.22Å; M76-R78 PolarHBondContact O-N 2.86Å
77G89.8Confident91.6Very high73 Ų73104.5 Ų104.575%0.75356%0.56SS**THydrogen-bonded Turntrans79.7-9.6179.200000115.9
78R91.7Very high91.8Very high113 Ų113110 Ų11043%0.42659%0.588SS.*SBendtrans-72.2140.4170.2-67.3-171.1170.2179.7-6111Y72 D75 M76 K80Y72-R78 HydrophobicContact CD1-CG 3.73Å; Y72-R78 HydrophobicContact CD2-CG 3.81Å; Y72-R78 HydrophobicContact CE1-CG 4.07Å; Y72-R78 HydrophobicContact CE2-CG 4.16Å; Y72-R78 HydrophobicContact CG-CG 3.54Å; D75-R78 WeakPolarHBondContact OD1-CD 3.48Å; D75-R78 IonicContact OD1-CZ 3.64Å; D75-R78 IonicContact OD1-NE 3.71Å; D75-R78 PolarHBondContact OD1-NE 2.92Å; D75-R78 IonicContact OD1-NH1 2.77Å; D75-R78 PolarHBondContact OD1-NH1 3.15Å; M76-R78 PolarHBondContact O-N 2.86Å; R78-K80 PolarHBondContact O-N 3.33Å; R78-K80 VanDerWaalsContact O-N 3.08Å
79K92.3Very high92Very high214 Ų214105.8 Ų105.893%0.9357%0.569SS**  trans-64110.2172.1-172.2177.6-177.1179.50109.5
80K90Very high92.2Very high145 Ų145106.4 Ų106.463%0.6357%0.573SS**PPolyproline II helixtrans-80.3161.2177.1-55.9-65.2171111.80110.5D75 R78D75-K80 WeakPolarHBondContact O-CE 3.14Å; R78-K80 PolarHBondContact O-N 3.33Å; R78-K80 VanDerWaalsContact O-N 3.08Å
81K92.2Very high92.3Very high199 Ų199105.3 Ų105.387%0.86556%0.558SS**PPolyproline II helixtrans-64.5146.9169.7-66.8-179.4177.4176.70109.5S83K81-S83 PolarHBondContact O-N 2.8Å; K81-S83 VanDerWaalsContact O-N 3.15Å
82M91.9Very high92.5Very high198 Ų198110.2 Ų110.298%0.97560%0.595SS**PPolyproline II helixtrans-60.9117.9167.9-66.8179.668.200108
83S90.7Very high92.6Very high87 Ų87113.6 Ų113.661%0.60861%0.614SS**  trans-121.1142.8-173.8-176.90000110.1K81 A85K81-S83 PolarHBondContact O-N 2.8Å; K81-S83 VanDerWaalsContact O-N 3.15Å; S83-A85 PolarHBondContact O-N 3.39Å; S83-A85 WeakPolarHBondContact OG-CB 3.49Å; S83-A85 PolarHBondContact OG-N 3.49Å
84N93.8Very high92.7Very high181 Ų181115.6 Ų115.697%0.96864%0.636SS**SBendtrans-80.2-2.5172-66.5-26000112.5
85A92.2Very high92.9Very high75 Ų75113.4 Ų113.462%0.6262%0.622SS**SBendtrans-75131.6177.200000110.7S83S83-A85 PolarHBondContact O-N 3.39Å; S83-A85 WeakPolarHBondContact OG-CB 3.49Å; S83-A85 PolarHBondContact OG-N 3.49Å
86L92.1Very high93.1Very high87 Ų87114.6 Ų114.646%0.45563%0.627SS.*PPolyproline II helixtrans-62.5144164.668.689.3000109.4I88 A100L86-I88 PolarHBondContact O-N 2.97Å; L86-A100 HydrophobicContact CD1-CB 4.39Å
87A93.3Very high93.3Very high77 Ų77112.8 Ų112.864%0.63662%0.616SS**PPolyproline II helixtrans-61.8128.9177.100000109.8Q89A87-Q89 PolarHBondContact O-N 3.26Å
88I95Very high93.5Very high134 Ų134116.6 Ų116.669%0.68761%0.609SS**PPolyproline II helixtrans-63.2122.9173.6-61.2177.2000107.6L86 I96L86-I88 PolarHBondContact O-N 2.97Å; I88-I96 HydrophobicContact CG2-CG2 3.59Å
89Q94.9Very high93.6Very high100 Ų100112.4 Ų112.447%0.46760%0.595SS.*PPolyproline II helixtrans-103.7146.9179.8-63.2174.710.400109.4A87 K97A87-Q89 PolarHBondContact O-N 3.26Å; Q89-K97 HydrophobicContact CB-CB 4.16Å; Q89-K97 HydrophobicContact CB-CD 4.06Å; Q89-K97 HydrophobicContact CB-CG 4.46Å; Q89-K97 PolarHBondContact O-N 3.48Å
90V95.9Very high93.6Very high79 Ų79103 Ų10348%0.47956%0.558SS.*BIsolated β-bridgetrans-116.1145.1174.1-173.70000107.7G94 K95V90-G94 VanDerWaalsContact CG1-CA 3.46Å; V90-G94 WeakPolarHBondContact CG1-O 3.41Å; V90-K95 CarbonylContact C-O 3.57Å; V90-K95 WeakPolarHBondContact CA-O 3.32Å; V90-K95 WeakPolarHBondContact CG1-O 3.43Å
91D93.8Very high93.8Very high42 Ų42101.6 Ų101.623%0.22556%0.555CS.*  trans-82.7179.1173.167.517.3000112.8E93 G94 K95 K97D91-E93 PolarHBondContact O-N 3.31Å; D91-E93 WeakPolarHBondContact OD1-CA 3.35Å; D91-E93 WeakPolarHBondContact OD1-CB 3.43Å; D91-E93 PolarHBondContact OD1-N 3.33Å; D91-G94 PolarHBondContact O-N 2.89Å; D91-G94 PolarHBondContact OD1-N 3.22Å; D91-K95 PolarHBondContact N-O 3.18Å; D91-K95 PolarHBondContact OD1-N 2.99Å; D91-K97 HydrophobicContact CB-CD 4.36Å; D91-K97 HydrophobicContact CB-CG 4.06Å
92S95.7Very high93.9Very high128 Ų12893 Ų9390%0.89552%0.522SS*.THydrogen-bonded Turntrans-66.7-19.5178.548.60000113.1
93E95Very high93.9Very high154 Ų15487 Ų8772%0.7249%0.488SS*.THydrogen-bonded Turntrans-88.3-8177.3-61.6-173.9172.700112.4D91D91-E93 PolarHBondContact O-N 3.31Å; D91-E93 WeakPolarHBondContact OD1-CA 3.35Å; D91-E93 WeakPolarHBondContact OD1-CB 3.43Å; D91-E93 PolarHBondContact OD1-N 3.33Å
94G93.8Very high94Very high52 Ų5289.1 Ų89.154%0.53649%0.488SS..SBendtrans91.25.9-178.400000114.4V90 D91V90-G94 VanDerWaalsContact CG1-CA 3.46Å; V90-G94 WeakPolarHBondContact CG1-O 3.41Å; D91-G94 PolarHBondContact O-N 2.89Å; D91-G94 PolarHBondContact OD1-N 3.22Å
95K94.7Very high93.9Very high73 Ų7384.1 Ų84.132%0.31748%0.479SS..  trans-81.8141.6175.6-56.3-170.7178.2-132.80110.9E19 V90 D91 K97E19-K95 IonicContact OE1-NZ 3.7Å; E19-K95 PolarHBondContact OE1-NZ 3.03Å; E19-K95 IonicContact OE2-NZ 3.2Å; E19-K95 PolarHBondContact OE2-NZ 2.95Å; V90-K95 CarbonylContact C-O 3.57Å; V90-K95 WeakPolarHBondContact CA-O 3.32Å; V90-K95 WeakPolarHBondContact CG1-O 3.43Å; D91-K95 PolarHBondContact N-O 3.18Å; D91-K95 PolarHBondContact OD1-N 2.99Å; K95-K97 PolarHBondContact O-N 3.24Å
96I95.9Very high94Very high75 Ų7582 Ų8239%0.38546%0.457SS..BIsolated β-bridgetrans-69.5126.3174.1-64172000109.1I88 Y98I88-I96 HydrophobicContact CG2-CG2 3.59Å; I96-Y98 VanDerWaalsContact C-N 3.27Å; I96-Y98 HydrophobicContact CB-CD2 4.23Å; I96-Y98 HydrophobicContact CB-CE2 3.71Å; I96-Y98 HydrophobicContact CG2-CD1 4.13Å; I96-Y98 HydrophobicContact CG2-CD2 4.1Å; I96-Y98 HydrophobicContact CG2-CE1 3.8Å; I96-Y98 HydrophobicContact CG2-CE2 3.77Å; I96-Y98 HydrophobicContact CG2-CG 4.28Å; I96-Y98 WeakPolarHBondContact O-CD2 3.45Å; I96-Y98 PolarHBondContact O-N 3.05Å
97K94.7Very high94.1Very high83 Ų8381.3 Ų81.336%0.36146%0.459SS..  trans-77.671.1179.7-66.9-176.3178.4168.40111.7Q89 D91 K95 D99 A100Q89-K97 HydrophobicContact CB-CB 4.16Å; Q89-K97 HydrophobicContact CB-CD 4.06Å; Q89-K97 HydrophobicContact CB-CG 4.46Å; Q89-K97 PolarHBondContact O-N 3.48Å; D91-K97 HydrophobicContact CB-CD 4.36Å; D91-K97 HydrophobicContact CB-CG 4.06Å; K95-K97 PolarHBondContact O-N 3.24Å; K97-D99 PolarHBondContact O-N 3.02Å; K97-A100 VanDerWaalsContact O-CB 3.23Å; K97-A100 WeakPolarHBondContact O-CB 3.28Å; K97-A100 PolarHBondContact O-N 3.2Å
98Y95Very high94.1Very high153 Ų15387.2 Ų87.260%0.647%0.47SS*.THydrogen-bonded Turntrans-59.3-25.1169.6-62.5-70.7000112.2I96 A100 I101I96-Y98 VanDerWaalsContact C-N 3.27Å; I96-Y98 HydrophobicContact CB-CD2 4.23Å; I96-Y98 HydrophobicContact CB-CE2 3.71Å; I96-Y98 HydrophobicContact CG2-CD1 4.13Å; I96-Y98 HydrophobicContact CG2-CD2 4.1Å; I96-Y98 HydrophobicContact CG2-CE1 3.8Å; I96-Y98 HydrophobicContact CG2-CE2 3.77Å; I96-Y98 HydrophobicContact CG2-CG 4.28Å; I96-Y98 WeakPolarHBondContact O-CD2 3.45Å; I96-Y98 PolarHBondContact O-N 3.05Å; Y98-A100 PolarHBondContact O-N 3.03Å; Y98-I101 WeakPolarHBondContact O-CB 3.42Å; Y98-I101 PolarHBondContact O-N 2.91Å
99D93.1Very high94Very high24 Ų2486.6 Ų86.613%0.12847%0.469CS..Hα-helixtrans-51.9-23.2169.7-57.8-12.7000114.2K97 I101 A102 R103 S114 K115K97-D99 PolarHBondContact O-N 3.02Å; D99-I101 PolarHBondContact O-N 2.92Å; D99-A102 PolarHBondContact O-N 3.21Å; D99-A102 VanDerWaalsContact O-N 3.12Å; D99-R103 WeakPolarHBondContact O-CB 3.49Å; D99-R103 WeakPolarHBondContact O-CG 3.23Å; D99-R103 PolarHBondContact O-N 3.26Å; D99-S114 WeakPolarHBondContact CB-OG 3.28Å; D99-S114 VanDerWaalsContact OD1-CB 3.31Å; D99-S114 WeakPolarHBondContact OD1-CB 3.31Å; D99-S114 PolarHBondContact OD1-OG 2.73Å; D99-S114 PolarHBondContact OD2-OG 2.6Å; D99-K115 IonicContact OD2-NZ 3.72Å; D99-K115 PolarHBondContact OD2-NZ 3.18Å
100A93.1Very high94Very high18 Ų1886.3 Ų86.315%0.14947%0.466CS..Hα-helixtrans-59.4-26.8176.400000112.6L86 K97 Y98 Q104L86-A100 HydrophobicContact CD1-CB 4.39Å; K97-A100 VanDerWaalsContact O-CB 3.23Å; K97-A100 WeakPolarHBondContact O-CB 3.28Å; K97-A100 PolarHBondContact O-N 3.2Å; Y98-A100 PolarHBondContact O-N 3.03Å; A100-Q104 PolarHBondContact O-N 3.4Å
101I93.8Very high93.9Very high114 Ų11487 Ų8759%0.58547%0.47SS*.Hα-helixtrans-66.6-50.5173.8-61.2172.3000110Y98 D99 R103 Q104Y98-I101 WeakPolarHBondContact O-CB 3.42Å; Y98-I101 PolarHBondContact O-N 2.91Å; D99-I101 PolarHBondContact O-N 2.92Å; I101-R103 VanDerWaalsContact C-N 3.28Å; I101-R103 PolarHBondContact O-N 3.13Å; I101-Q104 VanDerWaalsContact O-CB 3.28Å; I101-Q104 WeakPolarHBondContact O-CB 3.39Å; I101-Q104 PolarHBondContact O-N 3.12Å
102A92.9Very high94Very high19 Ų1985.6 Ų85.616%0.15746%0.462CS..Hα-helixtrans-66.8-30.8-18000000112.5D99 Q104 I112 P228D99-A102 PolarHBondContact O-N 3.21Å; D99-A102 VanDerWaalsContact O-N 3.12Å; A102-Q104 VanDerWaalsContact C-N 3.33Å; A102-I112 HydrophobicContact CB-CG2 4.14Å; A102-I112 WeakPolarHBondContact O-CD1 3.32Å; A102-P228 HydrophobicContact CB-CG 3.65Å
103R93.1Very high94Very high73 Ų7386.6 Ų86.628%0.27545%0.448SS..THydrogen-bonded Turntrans-81.2-8.5178.2-69.2171.6-179.4-83-4114.1D99 I101 G105 Q106 K110 I112D99-R103 WeakPolarHBondContact O-CB 3.49Å; D99-R103 WeakPolarHBondContact O-CG 3.23Å; D99-R103 PolarHBondContact O-N 3.26Å; I101-R103 VanDerWaalsContact C-N 3.28Å; I101-R103 PolarHBondContact O-N 3.13Å; R103-G105 PolarHBondContact O-N 3.29Å; R103-Q106 PolarHBondContact O-N 3.17Å; R103-K110 PolarHBondContact NH1-O 2.97Å; R103-I112 HydrophobicContact CB-CD1 4.14Å; R103-I112 HydrophobicContact CG-CB 4.26Å; R103-I112 HydrophobicContact CG-CD1 3.6Å; R103-I112 HydrophobicContact CG-CG1 4.16Å; R103-I112 PolarHBondContact NH2-O 2.97Å
104Q92.3Very high94Very high130 Ų13080.7 Ų80.761%0.60742%0.423SS*.THydrogen-bonded Turntrans-57.7126.4-179.7-175.8175-2.400110.9A100 I101 A102 Q106 P225A100-Q104 PolarHBondContact O-N 3.4Å; I101-Q104 VanDerWaalsContact O-CB 3.28Å; I101-Q104 WeakPolarHBondContact O-CB 3.39Å; I101-Q104 PolarHBondContact O-N 3.12Å; A102-Q104 VanDerWaalsContact C-N 3.33Å; Q104-Q106 PolarHBondContact O-N 2.83Å; Q104-P225 WeakPolarHBondContact O-CG 3.41Å
105G91.9Very high94Very high76 Ų7681.7 Ų81.778%0.78441%0.413SS*.THydrogen-bonded Turntrans80.4-2.5-179.700000114.8R103R103-G105 PolarHBondContact O-N 3.29Å
106Q93.9Very high93.9Very high31 Ų3183.8 Ų83.815%0.14542%0.42CS..SBendtrans-102159.4170.3-53.4-163.71800110R103 Q104 K110 I112 P225R103-Q106 PolarHBondContact O-N 3.17Å; Q104-Q106 PolarHBondContact O-N 2.83Å; Q106-K110 HydrophobicContact CB-CD 4.35Å; Q106-I112 HydrophobicContact CB-CD1 4.23Å; Q106-I112 HydrophobicContact CG-CD1 4.07Å; Q106-P225 HydrophobicContact CG-CB 4.4Å; Q106-P225 HydrophobicContact CG-CG 3.96Å; Q106-P225 PolarHBondContact NE2-O 3.21Å
107S94Very high93.8Very high72 Ų7284.2 Ų84.250%0.50343%0.426SS..  trans-70.9153175.1-168.60000110.8D109 K110S107-D109 WeakPolarHBondContact CB-OD1 2.99Å; S107-D109 PolarHBondContact O-N 3.17Å; S107-D109 PolarHBondContact OG-OD1 2.92Å; S107-K110 WeakPolarHBondContact O-CB 3.34Å; S107-K110 PolarHBondContact O-N 3.25Å; S107-K110 VanDerWaalsContact O-N 3.14Å
108K93.2Very high93.7Very high201 Ų20183.2 Ų83.287%0.87443%0.425SS*.THydrogen-bonded Turntrans-62.8-29.1-176.961.1176.7-179.8174.10113.8
109D93.5Very high93.7Very high122 Ų12279 Ų7965%0.65241%0.412SS*.THydrogen-bonded Turntrans-84-17.8179.361.2-43.2000112.8S107 V111S107-D109 WeakPolarHBondContact CB-OD1 2.99Å; S107-D109 PolarHBondContact O-N 3.17Å; S107-D109 PolarHBondContact OG-OD1 2.92Å; D109-V111 PolarHBondContact O-N 2.94Å
110K94.6Very high93.7Very high93 Ų9381.4 Ų81.440%0.40443%0.427SS..SBendtrans-69.9119.3174.5-175.5169171.8-158.60109.3R103 Q106 S107 I112R103-K110 PolarHBondContact NH1-O 2.97Å; Q106-K110 HydrophobicContact CB-CD 4.35Å; S107-K110 WeakPolarHBondContact O-CB 3.34Å; S107-K110 PolarHBondContact O-N 3.25Å; S107-K110 VanDerWaalsContact O-N 3.14Å; K110-I112 PolarHBondContact O-N 2.98Å
111V94.5Very high93.7Very high95 Ų9585.2 Ų85.258%0.57645%0.451SS*.  trans-72.8129.7178.1-176.90000109.4D109 Y113D109-V111 PolarHBondContact O-N 2.94Å; V111-Y113 HydrophobicContact CG1-CD1 4.3Å; V111-Y113 HydrophobicContact CG1-CE1 3.8Å; V111-Y113 HydrophobicContact CG1-CE2 4.49Å
112I95.3Very high93.5Very high11 Ų1189.2 Ų89.26%0.05646%0.464CS..  trans-129.2123.4171.1-53.8-178.6000106.5A102 R103 Q106 K110 P228A102-I112 HydrophobicContact CB-CG2 4.14Å; A102-I112 WeakPolarHBondContact O-CD1 3.32Å; R103-I112 HydrophobicContact CB-CD1 4.14Å; R103-I112 HydrophobicContact CG-CB 4.26Å; R103-I112 HydrophobicContact CG-CD1 3.6Å; R103-I112 HydrophobicContact CG-CG1 4.16Å; R103-I112 PolarHBondContact NH2-O 2.97Å; Q106-I112 HydrophobicContact CB-CD1 4.23Å; Q106-I112 HydrophobicContact CG-CD1 4.07Å; K110-I112 PolarHBondContact O-N 2.98Å; I112-P228 VanDerWaalsContact CG2-CD 3.41Å; I112-P228 HydrophobicContact CG2-CG 4.01Å
113Y95.9Very high93.2Very high150 Ų15095.5 Ų95.559%0.58849%0.49SS*.  trans-82.6125.7172.2-57.8-60.7000108.7V111 D118 P228V111-Y113 HydrophobicContact CG1-CD1 4.3Å; V111-Y113 HydrophobicContact CG1-CE1 3.8Å; V111-Y113 HydrophobicContact CG1-CE2 4.49Å; Y113-D118 VanDerWaalsContact CA-OD2 3.29Å; Y113-D118 WeakPolarHBondContact CA-OD2 3.39Å; Y113-D118 HydrophobicContact CD1-CB 3.86Å; Y113-D118 HydrophobicContact CG-CB 4.2Å; Y113-P228 WeakPolarHBondContact O-CB 3.39Å; Y113-P228 VanDerWaalsContact O-CG 3.32Å; Y113-P228 WeakPolarHBondContact O-CG 3.44Å
114S94.6Very high92.7Very high30 Ų3096.4 Ų96.421%0.2150%0.503CS..  trans-146.4-15.6-172.5450000112.6D99 D118D99-S114 WeakPolarHBondContact CB-OG 3.28Å; D99-S114 VanDerWaalsContact OD1-CB 3.31Å; D99-S114 WeakPolarHBondContact OD1-CB 3.31Å; D99-S114 PolarHBondContact OD1-OG 2.73Å; D99-S114 PolarHBondContact OD2-OG 2.6Å; S114-D118 PolarHBondContact N-OD2 3.19Å
115K93.7Very high92Very high73 Ų7397.9 Ų97.932%0.31751%0.512SS..SBendtrans-98.2150-176.8-67.6-176.4-74.8-84.50110.1D99 T117 D118 M230D99-K115 IonicContact OD2-NZ 3.72Å; D99-K115 PolarHBondContact OD2-NZ 3.18Å; K115-T117 VanDerWaalsContact CB-OG1 3.28Å; K115-T117 WeakPolarHBondContact CB-OG1 3.39Å; K115-T117 PolarHBondContact O-N 3.43Å; K115-D118 PolarHBondContact N-OD2 3.08Å; K115-D118 VanDerWaalsContact O-CB 3.28Å; K115-D118 WeakPolarHBondContact O-CB 3.29Å; K115-D118 PolarHBondContact O-N 3.46Å; K115-M230 WeakPolarHBondContact O-CE 3.41Å
116Y92.3Very high91.7Very high116 Ų11699.7 Ų99.746%0.45550%0.504SS..G310 helixtrans-58.5-28.9172.7-177.7-100.5000112.6D118 L119 V120Y116-D118 PolarHBondContact O-N 3.46Å; Y116-D118 VanDerWaalsContact O-N 3.13Å; Y116-L119 HydrophobicContact CD2-CB 4.38Å; Y116-L119 HydrophobicContact CD2-CD1 4.15Å; Y116-L119 WeakPolarHBondContact O-CB 3.5Å; Y116-L119 PolarHBondContact O-N 3.06Å; Y116-V120 HydrophobicContact CD1-CG2 4.03Å; Y116-V120 HydrophobicContact CE1-CG2 3.64Å; Y116-V120 PolarHBondContact O-N 3.12Å
117T94.1Very high91.1Very high85 Ų85102.6 Ų102.652%0.52153%0.533SS..G310 helixtrans-56.7-27.4172.556.50000113.2K115 L119K115-T117 VanDerWaalsContact CB-OG1 3.28Å; K115-T117 WeakPolarHBondContact CB-OG1 3.39Å; K115-T117 PolarHBondContact O-N 3.43Å; T117-L119 VanDerWaalsContact C-N 3.31Å
118D93.9Very high90.6Very high62 Ų62105.8 Ų105.833%0.33255%0.545SS..G310 helixtrans-79.2-16178.3-49.2-35.3000112.1Y113 S114 K115 Y116 M230Y113-D118 VanDerWaalsContact CA-OD2 3.29Å; Y113-D118 WeakPolarHBondContact CA-OD2 3.39Å; Y113-D118 HydrophobicContact CD1-CB 3.86Å; Y113-D118 HydrophobicContact CG-CB 4.2Å; S114-D118 PolarHBondContact N-OD2 3.19Å; K115-D118 PolarHBondContact N-OD2 3.08Å; K115-D118 VanDerWaalsContact O-CB 3.28Å; K115-D118 WeakPolarHBondContact O-CB 3.29Å; K115-D118 PolarHBondContact O-N 3.46Å; Y116-D118 PolarHBondContact O-N 3.46Å; Y116-D118 VanDerWaalsContact O-N 3.13Å; D118-M230 HydrophobicContact CB-CE 3.9Å
119L93.2Very high90.3Very high64 Ų6498.4 Ų98.434%0.33552%0.515SS..THydrogen-bonded Turntrans-89.6-24.3177.9-91.4167.5000113.4Y116 T117 M230Y116-L119 HydrophobicContact CD2-CB 4.38Å; Y116-L119 HydrophobicContact CD2-CD1 4.15Å; Y116-L119 WeakPolarHBondContact O-CB 3.5Å; Y116-L119 PolarHBondContact O-N 3.06Å; T117-L119 VanDerWaalsContact C-N 3.31Å; L119-M230 HydrophobicContact CB-CE 4.42Å; L119-M230 HydrophobicContact CD1-CB 4.38Å; L119-M230 HydrophobicContact CD1-CE 3.88Å; L119-M230 HydrophobicContact CD1-SD 4.39Å; L119-M230 HydrophobicContact CD2-CB 3.7Å; L119-M230 WeakPolarHBondContact CD2-O 3.24Å; L119-M230 HydrophobicContact CG-CB 3.95Å; L119-M230 HydrophobicContact CG-CE 3.61Å; L119-M230 HydrophobicContact CG-SD 4.45Å
120V93.8Very high90Very high74 Ų7497.5 Ų97.545%0.44852%0.516SS..SBendtrans-70.1127.9-177.6-179.40000108.7Y116 K122Y116-V120 HydrophobicContact CD1-CG2 4.03Å; Y116-V120 HydrophobicContact CE1-CG2 3.64Å; Y116-V120 PolarHBondContact O-N 3.12Å; V120-K122 PolarHBondContact O-N 2.97Å
121P93.1Very high89.6Confident99 Ų99100.2 Ų100.264%0.64353%0.534SS*.PPolyproline II helixtrans-62.6137.2177.527.1-34.3000110.1
122K90.3Very high89.3Confident197 Ų197100.8 Ų100.886%0.85753%0.534SS*.PPolyproline II helixtrans-85.4122.3170.4-62.2-176179.5-1720108.1V120 V124V120-K122 PolarHBondContact O-N 2.97Å; K122-V124 PolarHBondContact O-N 3.5Å
123E87.2Confident89Confident152 Ų152105.6 Ų105.671%0.7156%0.556SS**PPolyproline II helixtrans-70.7124.9178.9-61.8-62.8166.700110.2
124V80.6Confident88.8Confident91 Ų91107.9 Ų107.955%0.55256%0.564SS**  trans-93.7106174.3-179.40000107.9K122 N126 L132K122-V124 PolarHBondContact O-N 3.5Å; V124-N126 WeakPolarHBondContact CG1-O 3.28Å; V124-L132 HydrophobicContact CG1-CD1 3.64Å; V124-L132 HydrophobicContact CG2-CD1 4.19Å
125M78.8Confident88.8Confident161 Ų161110.3 Ų110.379%0.79358%0.579SS**  trans-86.3-31.1-175.1-66-172.7168.300113.3
126N86.3Confident88.8Confident115 Ų115112.8 Ų112.862%0.61560%0.595SS**  trans-132.3146.7-175.4-67.8-43.6000110.8V124 D128V124-N126 WeakPolarHBondContact CG1-O 3.28Å; N126-D128 VanDerWaalsContact C-N 3.33Å
127A81Confident88.9Confident92 Ų92114.2 Ų114.276%0.7661%0.606SS**THydrogen-bonded Turntrans-70-30.917700000112.7D129A127-D129 VanDerWaalsContact C-N 3.31Å; A127-D129 PolarHBondContact O-N 3.17Å
128D83.2Confident89.1Confident138 Ų138117.7 Ų117.774%0.73862%0.616SS**THydrogen-bonded Turntrans-94.125.1-176.2-58.9-37000113.1N126 P130N126-D128 VanDerWaalsContact C-N 3.33Å; D128-P130 WeakPolarHBondContact O-CD 3.46Å
129D86.3Confident89.2Confident47 Ų47116.2 Ų116.225%0.25161%0.613SS.*  trans-61.7122.3-179.8-164.1-28.9000111.1A127 D131 L132A127-D129 VanDerWaalsContact C-N 3.31Å; A127-D129 PolarHBondContact O-N 3.17Å; D129-D131 PolarHBondContact O-N 3.12Å; D129-D131 VanDerWaalsContact O-N 3.12Å; D129-D131 PolarHBondContact OD1-N 3.07Å; D129-L132 HydrophobicContact CB-CD1 4.36Å; D129-L132 HydrophobicContact CB-CG 4.42Å; D129-L132 PolarHBondContact O-N 3.38Å
130P87.4Confident89.4Confident103 Ų103115.8 Ų115.867%0.66961%0.611SS**G310 helixtrans-52.6-30175.8-28.336.5000114.2D128 L132 Q133D128-P130 WeakPolarHBondContact O-CD 3.46Å; P130-L132 PolarHBondContact O-N 2.83Å; P130-Q133 PolarHBondContact O-N 3.28Å
131D86.9Confident89.6Confident149 Ų149118.7 Ų118.780%0.79762%0.617SS**G310 helixtrans-66.3-22.3179.8-75.9-7.8000113.1D129D129-D131 PolarHBondContact O-N 3.12Å; D129-D131 VanDerWaalsContact O-N 3.12Å; D129-D131 PolarHBondContact OD1-N 3.07Å
132L87Confident89.8Confident107 Ų107119 Ų11956%0.5661%0.61SS**G310 helixtrans-98.9-7.2179.7-64.1178.2000113.1V124 D129 P130V124-L132 HydrophobicContact CG1-CD1 3.64Å; V124-L132 HydrophobicContact CG2-CD1 4.19Å; D129-L132 HydrophobicContact CB-CD1 4.36Å; D129-L132 HydrophobicContact CB-CG 4.42Å; D129-L132 PolarHBondContact O-N 3.38Å; P130-L132 PolarHBondContact O-N 2.83Å
133Q89.5Confident90.2Very high113 Ų113114.1 Ų114.153%0.52859%0.593SS.*PPolyproline II helixtrans-67.1141.9180-64.2-60.7-2100110.8P130P130-Q133 PolarHBondContact O-N 3.28Å
134R91.6Very high90.7Very high197 Ų197110.9 Ų110.974%0.74358%0.583SS**PPolyproline II helixtrans-67153.2169.7-63.5-177.767-165.7-1.8108.4
135P94.1Very high91.6Very high81 Ų81110.8 Ų110.853%0.52658%0.577SS.*PPolyproline II helixtrans-51.7148.1169.3-25.133.9000111.3A139 I140P135-A139 HydrophobicContact CB-CB 4.14Å; P135-I140 HydrophobicContact CB-CG1 4.27Å; P135-I140 VanDerWaalsContact O-CD1 3.24Å; P135-I140 WeakPolarHBondContact O-CD1 2.97Å
136D93.9Very high92.5Very high125 Ų125109.3 Ų109.367%0.66857%0.566SS**PPolyproline II helixtrans-54.7154.1-179.6-59.5-33.7000112E138 A139 I140D136-E138 PolarHBondContact O-N 3.25Å; D136-E138 VanDerWaalsContact O-N 3.13Å; D136-A139 WeakPolarHBondContact O-CB 3.32Å; D136-A139 PolarHBondContact O-N 3.17Å; D136-I140 WeakPolarHBondContact O-CG1 3.49Å; D136-I140 PolarHBondContact O-N 3.38Å
137E95.8Very high93Very high146 Ų146107.1 Ų107.168%0.68256%0.557SS**Hα-helixtrans-56.2-34.1179.6-69.3-168.717600112.9I140 K141E137-I140 PolarHBondContact O-N 3.01Å; E137-K141 WeakPolarHBondContact O-CB 3.19Å; E137-K141 VanDerWaalsContact O-CG 3.25Å; E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 2.95Å
138E96.4Very high93.9Very high158 Ų158107.5 Ų107.574%0.73854%0.539SS*.Hα-helixtrans-66.7-45.6176.1-62-172.5158.700111.7D136 I140 K141 E142D136-E138 PolarHBondContact O-N 3.25Å; D136-E138 VanDerWaalsContact O-N 3.13Å; E138-I140 VanDerWaalsContact C-N 3.31Å; E138-I140 PolarHBondContact O-N 3.27Å; E138-K141 PolarHBondContact O-N 3.17Å; E138-E142 PolarHBondContact O-N 3.13Å
139A97.1Very high94.6Very high32 Ų32104.3 Ų104.326%0.26452%0.524SS..Hα-helixtrans-62.7-40.3175.700000111.2P135 D136 E142 I143P135-A139 HydrophobicContact CB-CB 4.14Å; D136-A139 WeakPolarHBondContact O-CB 3.32Å; D136-A139 PolarHBondContact O-N 3.17Å; A139-E142 PolarHBondContact O-N 3.25Å; A139-I143 WeakPolarHBondContact O-CB 3Å; A139-I143 VanDerWaalsContact O-CG1 3.23Å; A139-I143 WeakPolarHBondContact O-CG1 3.27Å; A139-I143 PolarHBondContact O-N 3.38Å
140I97.6Very high95.1Very high55 Ų55104.6 Ų104.628%0.28253%0.533SS..Hα-helixtrans-62-46174.3-67.8174.8000110.7P135 D136 E137 E138 E142 I143 T144P135-I140 HydrophobicContact CB-CG1 4.27Å; P135-I140 VanDerWaalsContact O-CD1 3.24Å; P135-I140 WeakPolarHBondContact O-CD1 2.97Å; D136-I140 WeakPolarHBondContact O-CG1 3.49Å; D136-I140 PolarHBondContact O-N 3.38Å; E137-I140 PolarHBondContact O-N 3.01Å; E138-I140 VanDerWaalsContact C-N 3.31Å; E138-I140 PolarHBondContact O-N 3.27Å; I140-E142 VanDerWaalsContact C-N 3.34Å; I140-E142 PolarHBondContact O-N 3.39Å; I140-I143 PolarHBondContact O-N 3.28Å; I140-T144 WeakPolarHBondContact O-CB 3.45Å; I140-T144 PolarHBondContact O-N 2.48Å; I140-T144 PolarHBondContact O-OG1 3.23Å
141K97.5Very high95.6Very high134 Ų134104.7 Ų104.758%0.58353%0.527SS*.Hα-helixtrans-59.9-44.1177.1-76.1166.7-174.7163.70111.3E137 E138 T144 E145E137-K141 WeakPolarHBondContact O-CB 3.19Å; E137-K141 VanDerWaalsContact O-CG 3.25Å; E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 2.95Å; E138-K141 PolarHBondContact O-N 3.17Å; K141-T144 PolarHBondContact O-N 3.07Å; K141-E145 WeakPolarHBondContact O-CB 3.47Å; K141-E145 PolarHBondContact O-N 3.23Å
142E98Very high96.1Very high106 Ų106102.4 Ų102.450%0.49551%0.512SS..Hα-helixtrans-64.2-47.6178.1-167.7-167.4161.200112.3E138 A139 I140 T144 E145 K146E138-E142 PolarHBondContact O-N 3.13Å; A139-E142 PolarHBondContact O-N 3.25Å; I140-E142 VanDerWaalsContact C-N 3.34Å; I140-E142 PolarHBondContact O-N 3.39Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.33Å; E142-E145 PolarHBondContact O-N 3.49Å; E142-K146 HydrophobicContact CG-CD 4.31Å; E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 WeakPolarHBondContact O-CG 3.3Å; E142-K146 PolarHBondContact O-N 3.37Å; E142-K146 VanDerWaalsContact OE1-CE 3.23Å; E142-K146 WeakPolarHBondContact OE1-CE 3.5Å; E142-K146 IonicContact OE1-NZ 3.16Å; E142-K146 PolarHBondContact OE1-NZ 3.1Å
143I98.1Very high96.5Very high95 Ų95104 Ų10449%0.48751%0.514SS..Hα-helixtrans-61.9-42.3176.9-69.8166.6000110.3A139 I140 T147A139-I143 WeakPolarHBondContact O-CB 3Å; A139-I143 VanDerWaalsContact O-CG1 3.23Å; A139-I143 WeakPolarHBondContact O-CG1 3.27Å; A139-I143 PolarHBondContact O-N 3.38Å; I140-I143 PolarHBondContact O-N 3.28Å; I143-T147 VanDerWaalsContact O-CB 3.23Å; I143-T147 WeakPolarHBondContact O-CB 3.39Å; I143-T147 PolarHBondContact O-N 3.14Å; I143-T147 PolarHBondContact O-OG1 2.9Å
144T98.1Very high96.8Very high83 Ų83101.6 Ų101.651%0.50951%0.509SS..Hα-helixtrans-61.2-47.7178.5-61.10000110.3I140 K141 E142 T147 R148I140-T144 WeakPolarHBondContact O-CB 3.45Å; I140-T144 PolarHBondContact O-N 2.48Å; I140-T144 PolarHBondContact O-OG1 3.23Å; K141-T144 PolarHBondContact O-N 3.07Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.33Å; T144-T147 PolarHBondContact O-N 3.28Å; T144-R148 VanDerWaalsContact O-CB 3.25Å; T144-R148 WeakPolarHBondContact O-CB 3.34Å; T144-R148 PolarHBondContact O-N 2.9Å
145E98Very high97Very high90 Ų9096.3 Ų96.342%0.42150%0.499SS..Hα-helixtrans-65.6-46-179.5-178.855.5-161.100112K141 E142 T147 R148 V149K141-E145 WeakPolarHBondContact O-CB 3.47Å; K141-E145 PolarHBondContact O-N 3.23Å; E142-E145 PolarHBondContact O-N 3.49Å; E145-T147 VanDerWaalsContact C-N 3.3Å; E145-T147 PolarHBondContact O-N 2.92Å; E145-R148 PolarHBondContact O-N 3.26Å; E145-R148 IonicContact OE1-CZ 3.31Å; E145-R148 IonicContact OE1-NE 3.91Å; E145-R148 IonicContact OE1-NH2 2.73Å; E145-R148 PolarHBondContact OE1-NH2 3.05Å; E145-R148 IonicContact OE2-CZ 2.86Å; E145-R148 IonicContact OE2-NE 3.81Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 4Å; E145-R148 PolarHBondContact OE2-NH2 2.99Å; E145-V149 WeakPolarHBondContact O-CG2 3.48Å; E145-V149 PolarHBondContact O-N 3.02Å; E145-V149 WeakPolarHBondContact OE1-CG2 3.04Å
146K98.2Very high96.8Very high130 Ų13095.7 Ų95.757%0.56550%0.496SS*.Hα-helixtrans-57.3-44.7174.5-76.8174.8171.9172.60111.8E142 A150E142-K146 HydrophobicContact CG-CD 4.31Å; E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 WeakPolarHBondContact O-CG 3.3Å; E142-K146 PolarHBondContact O-N 3.37Å; E142-K146 VanDerWaalsContact OE1-CE 3.23Å; E142-K146 WeakPolarHBondContact OE1-CE 3.5Å; E142-K146 IonicContact OE1-NZ 3.16Å; E142-K146 PolarHBondContact OE1-NZ 3.1Å; K146-A150 WeakPolarHBondContact O-CB 3.41Å; K146-A150 PolarHBondContact O-N 3.42Å; K146-A150 VanDerWaalsContact O-N 3.09Å
147T98.1Very high96.6Very high69 Ų6995.8 Ų95.842%0.42349%0.493SS..Hα-helixtrans-68.9-42.6-179.6-55.70000111.1I143 T144 E145 A150 L151I143-T147 VanDerWaalsContact O-CB 3.23Å; I143-T147 WeakPolarHBondContact O-CB 3.39Å; I143-T147 PolarHBondContact O-N 3.14Å; I143-T147 PolarHBondContact O-OG1 2.9Å; T144-T147 PolarHBondContact O-N 3.28Å; E145-T147 VanDerWaalsContact C-N 3.3Å; E145-T147 PolarHBondContact O-N 2.92Å; T147-A150 PolarHBondContact O-N 3.23Å; T147-L151 HydrophobicContact CG2-CD1 3.92Å; T147-L151 HydrophobicContact CG2-CG 4.23Å; T147-L151 WeakPolarHBondContact O-CB 3.47Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.48Å; T147-L151 PolarHBondContact O-N 3.03Å
148R98.1Very high96.4Very high100 Ų10096.8 Ų96.838%0.37750%0.495SS..Hα-helixtrans-56.4-53.2176.6-174.9-167.37076.63.2110.8T144 E145 A150 L151 E152T144-R148 VanDerWaalsContact O-CB 3.25Å; T144-R148 WeakPolarHBondContact O-CB 3.34Å; T144-R148 PolarHBondContact O-N 2.9Å; E145-R148 PolarHBondContact O-N 3.26Å; E145-R148 IonicContact OE1-CZ 3.31Å; E145-R148 IonicContact OE1-NE 3.91Å; E145-R148 IonicContact OE1-NH2 2.73Å; E145-R148 PolarHBondContact OE1-NH2 3.05Å; E145-R148 IonicContact OE2-CZ 2.86Å; E145-R148 IonicContact OE2-NE 3.81Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 4Å; E145-R148 PolarHBondContact OE2-NH2 2.99Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.41Å; R148-L151 PolarHBondContact O-N 2.76Å; R148-E152 IonicContact CZ-OE1 3.37Å; R148-E152 IonicContact CZ-OE2 2.72Å; R148-E152 IonicContact NH1-OE1 3.82Å; R148-E152 PolarHBondContact NH1-OE1 2.92Å; R148-E152 IonicContact NH1-OE2 4Å; R148-E152 PolarHBondContact NH1-OE2 3.21Å; R148-E152 WeakPolarHBondContact O-CB 3.24Å; R148-E152 WeakPolarHBondContact O-CG 3.29Å; R148-E152 PolarHBondContact O-N 2.84Å
149V98.1Very high96.1Very high71 Ų7192.8 Ų92.843%0.4348%0.481SS..Hα-helixtrans-61.3-41.3179.5175.20000111.5E145 E152 K153E145-V149 WeakPolarHBondContact O-CG2 3.48Å; E145-V149 PolarHBondContact O-N 3.02Å; E145-V149 WeakPolarHBondContact OE1-CG2 3.04Å; V149-E152 PolarHBondContact O-N 3.1Å; V149-K153 WeakPolarHBondContact O-CB 3.43Å; V149-K153 PolarHBondContact O-N 3.24Å
150A98.2Very high95.6Very high53 Ų5394 Ų9444%0.43849%0.491SS..Hα-helixtrans-65.7-39.5177.900000112.8K146 T147 R148 S154K146-A150 WeakPolarHBondContact O-CB 3.41Å; K146-A150 PolarHBondContact O-N 3.42Å; K146-A150 VanDerWaalsContact O-N 3.09Å; T147-A150 PolarHBondContact O-N 3.23Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.41Å; A150-S154 PolarHBondContact O-N 3.08Å; A150-S154 VanDerWaalsContact O-N 3.13Å; A150-S154 PolarHBondContact O-OG 3.11Å
151L98Very high94.9Very high104 Ų10494.4 Ų94.455%0.54550%0.503SS..Hα-helixtrans-70.3-43176.4-71.7178.5000111.4T147 R148 K153 S154 V155T147-L151 HydrophobicContact CG2-CD1 3.92Å; T147-L151 HydrophobicContact CG2-CG 4.23Å; T147-L151 WeakPolarHBondContact O-CB 3.47Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.48Å; T147-L151 PolarHBondContact O-N 3.03Å; R148-L151 PolarHBondContact O-N 2.76Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 2.85Å; L151-S154 CarbonylContact O-C 3.52Å; L151-S154 WeakPolarHBondContact O-CA 3.24Å; L151-S154 WeakPolarHBondContact O-CB 3.23Å; L151-S154 PolarHBondContact O-N 3.37Å; L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.41Å; L151-V155 PolarHBondContact O-N 2.58Å
152E97.3Very high94.3Very high102 Ų10291.9 Ų91.948%0.47751%0.507SS..Hα-helixtrans-58.4-42.1174.4-78.7178.6-176.300112R148 V149 S154 V155 S156R148-E152 IonicContact CZ-OE1 3.37Å; R148-E152 IonicContact CZ-OE2 2.72Å; R148-E152 IonicContact NH1-OE1 3.82Å; R148-E152 PolarHBondContact NH1-OE1 2.92Å; R148-E152 IonicContact NH1-OE2 4Å; R148-E152 PolarHBondContact NH1-OE2 3.21Å; R148-E152 WeakPolarHBondContact O-CB 3.24Å; R148-E152 WeakPolarHBondContact O-CG 3.29Å; R148-E152 PolarHBondContact O-N 2.84Å; V149-E152 PolarHBondContact O-N 3.1Å; E152-S154 VanDerWaalsContact C-N 3.28Å; E152-S154 PolarHBondContact O-N 3.41Å; E152-V155 PolarHBondContact O-N 3.49Å; E152-S156 WeakPolarHBondContact O-CB 3.23Å; E152-S156 PolarHBondContact O-N 2.9Å; E152-S156 PolarHBondContact O-OG 3.44Å
153K95.5Very high93.5Very high140 Ų14091.8 Ų91.861%0.60951%0.508SS*.Hα-helixtrans-60.9-37.2173-176.7177.4179.3177.90112.5V149 L151 S156 Q157V149-K153 WeakPolarHBondContact O-CB 3.43Å; V149-K153 PolarHBondContact O-N 3.24Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 2.85Å; K153-S156 PolarHBondContact O-OG 2.9Å; K153-Q157 WeakPolarHBondContact O-CG 3.39Å
154S95.2Very high92.3Very high62 Ų6293.4 Ų93.443%0.43453%0.525SS..Hα-helixtrans-73.2-39.8177.8-58.60000111.6A150 L151 E152 Q157 K158A150-S154 PolarHBondContact O-N 3.08Å; A150-S154 VanDerWaalsContact O-N 3.13Å; A150-S154 PolarHBondContact O-OG 3.11Å; L151-S154 CarbonylContact O-C 3.52Å; L151-S154 WeakPolarHBondContact O-CA 3.24Å; L151-S154 WeakPolarHBondContact O-CB 3.23Å; L151-S154 PolarHBondContact O-N 3.37Å; E152-S154 VanDerWaalsContact C-N 3.28Å; E152-S154 PolarHBondContact O-N 3.41Å; S154-Q157 PolarHBondContact O-N 3.38Å; S154-K158 WeakPolarHBondContact O-CG 3.25Å; S154-K158 PolarHBondContact O-N 3.04Å
155V95.3Very high90.8Very high86 Ų8695.1 Ų95.152%0.52154%0.535SS..Hα-helixtrans-66.5-44177.6171.30000110.5L151 E152 Q157 K158 V159L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.41Å; L151-V155 PolarHBondContact O-N 2.58Å; E152-V155 PolarHBondContact O-N 3.49Å; V155-Q157 VanDerWaalsContact C-N 3.27Å; V155-Q157 PolarHBondContact O-N 3.43Å; V155-K158 WeakPolarHBondContact O-CA 3.47Å; V155-K158 PolarHBondContact O-N 3.35Å; V155-V159 HydrophobicContact CG1-CG2 3.87Å; V155-V159 WeakPolarHBondContact O-CG2 3.47Å; V155-V159 PolarHBondContact O-N 2.91Å
156S91.1Very high89.2Confident68 Ų6899.7 Ų99.748%0.47655%0.548SS..Hα-helixtrans-58.9-38.317965.40000112.3E152 K153 V159 A160E152-S156 WeakPolarHBondContact O-CB 3.23Å; E152-S156 PolarHBondContact O-N 2.9Å; E152-S156 PolarHBondContact O-OG 3.44Å; K153-S156 PolarHBondContact O-OG 2.9Å; S156-V159 PolarHBondContact O-N 3.47Å; S156-A160 VanDerWaalsContact O-CB 3.28Å; S156-A160 WeakPolarHBondContact O-CB 3.41Å; S156-A160 PolarHBondContact O-N 2.93Å
157Q89.3Confident87.5Confident128 Ų12897.4 Ų97.460%0.59855%0.554SS**Hα-helixtrans-64.2-38.6173.1-68.4173.84.900112.9K153 S154 V155K153-Q157 WeakPolarHBondContact O-CG 3.39Å; S154-Q157 PolarHBondContact O-N 3.38Å; V155-Q157 VanDerWaalsContact C-N 3.27Å; V155-Q157 PolarHBondContact O-N 3.43Å
158K91.6Very high86.1Confident166 Ų16697.4 Ų97.472%0.72256%0.561SS**Hα-helixtrans-71.5-42.4177.1-66.5-58.4-174.476.70112.1S154 V155 A161S154-K158 WeakPolarHBondContact O-CG 3.25Å; S154-K158 PolarHBondContact O-N 3.04Å; V155-K158 WeakPolarHBondContact O-CA 3.47Å; V155-K158 PolarHBondContact O-N 3.35Å; K158-A161 PolarHBondContact O-N 3.46Å
159V90.5Very high84.7Confident74 Ų7497.6 Ų97.645%0.44857%0.569SS.*Hα-helixtrans-65.3-41.2178.6173.70000110.6V155 S156 A161 A162 M163V155-V159 HydrophobicContact CG1-CG2 3.87Å; V155-V159 WeakPolarHBondContact O-CG2 3.47Å; V155-V159 PolarHBondContact O-N 2.91Å; S156-V159 PolarHBondContact O-N 3.47Å; V159-A161 PolarHBondContact O-N 3.21Å; V159-A161 VanDerWaalsContact O-N 3.12Å; V159-A162 PolarHBondContact O-N 3.03Å; V159-M163 HydrophobicContact CG1-CG 4.03Å; V159-M163 HydrophobicContact CG1-SD 4.16Å; V159-M163 WeakPolarHBondContact O-CG 3.43Å; V159-M163 PolarHBondContact O-N 3.13Å
160A85.8Confident83.6Confident57 Ų57103.8 Ų103.847%0.47159%0.59SS.*Hα-helixtrans-55.9-31.2177.900000113.5S156 A162S156-A160 VanDerWaalsContact O-CB 3.28Å; S156-A160 WeakPolarHBondContact O-CB 3.41Å; S156-A160 PolarHBondContact O-N 2.93Å; A160-A162 VanDerWaalsContact C-N 3.33Å
161A82.6Confident82.6Confident65 Ų65105.7 Ų105.754%0.53759%0.592SS.*Hα-helixtrans-72-26.5175.900000113.5K158 V159 R166K158-A161 PolarHBondContact O-N 3.46Å; V159-A161 PolarHBondContact O-N 3.21Å; V159-A161 VanDerWaalsContact O-N 3.12Å; A161-R166 PolarHBondContact O-NH2 2.7Å
162A85.7Confident81.8Confident81 Ų81103.1 Ų103.167%0.66959%0.587SS**Hα-helixtrans-101.1-11.6-174.500000114.4V159 A160V159-A162 PolarHBondContact O-N 3.03Å; A160-A162 VanDerWaalsContact C-N 3.33Å
163M81Confident81.4Confident103 Ų103104.1 Ų104.151%0.50760%0.602SS.*  trans-61.5129177.6-74.5-69.2-7600110.7V159 V165V159-M163 HydrophobicContact CG1-CG 4.03Å; V159-M163 HydrophobicContact CG1-SD 4.16Å; V159-M163 WeakPolarHBondContact O-CG 3.43Å; V159-M163 PolarHBondContact O-N 3.13Å; M163-V165 VanDerWaalsContact C-N 3.28Å; M163-V165 PolarHBondContact O-N 2.88Å
164P72.2Confident81.1Confident130 Ų13099.2 Ų99.284%0.84459%0.587SS**SBendtrans-60.7-33.9-174.5-26.334000114.5
165V67.1Low81.1Confident119 Ų119102.3 Ų102.372%0.72160%0.595SS**SBendtrans-115.7110.5175.5-87.70000108M163 A167M163-V165 VanDerWaalsContact C-N 3.28Å; M163-V165 PolarHBondContact O-N 2.88Å; V165-A167 PolarHBondContact O-N 2.8Å
166R65.5Low81.1Confident185 Ų185105 Ų10570%0.69860%0.597SS**  trans-77.3103.6164.3-67.2-174.3179.6174.53.6106.8A161 A168A161-R166 PolarHBondContact O-NH2 2.7Å; R166-A168 PolarHBondContact O-N 3.33Å
167A62.4Low81.3Confident83 Ų83105 Ų10569%0.68659%0.59SS**PPolyproline II helixtrans-54.5135.1162.900000107.4V165 D169V165-A167 PolarHBondContact O-N 2.8Å; A167-D169 PolarHBondContact O-N 2.9Å; A167-D169 VanDerWaalsContact O-N 3.12Å
168A67.2Low81.6Confident68 Ų68107.2 Ų107.256%0.56259%0.594SS**PPolyproline II helixtrans-50.7124.7175.200000108.7R166 K170R166-A168 PolarHBondContact O-N 3.33Å; A168-K170 PolarHBondContact O-N 2.95Å; A168-K170 VanDerWaalsContact O-N 3.07Å
169D70.1Confident81.8Confident104 Ų104104.5 Ų104.556%0.55658%0.58SS**PPolyproline II helixtrans-53.5119.6-178.9-71-32.6000108A167 L171 K204A167-D169 PolarHBondContact O-N 2.9Å; A167-D169 VanDerWaalsContact O-N 3.12Å; D169-L171 PolarHBondContact O-N 3.37Å; D169-K204 IonicContact OD2-NZ 3.8Å
170K73.8Confident82Confident201 Ų201104.1 Ų104.187%0.87458%0.577SS**PPolyproline II helixtrans-64.2122.5174.7-71.4-177.1179.8179.90107.5A168 A172A168-K170 PolarHBondContact O-N 2.95Å; A168-K170 VanDerWaalsContact O-N 3.07Å; K170-A172 PolarHBondContact O-N 3.01Å; K170-A172 VanDerWaalsContact O-N 3.14Å
171L76.7Confident82.3Confident93 Ų93102 Ų10249%0.48756%0.559SS.*PPolyproline II helixtrans-56.4120.2178.7-71.7170.3000110D169 E201 Q203D169-L171 PolarHBondContact O-N 3.37Å; L171-E201 WeakPolarHBondContact CD2-O 3.4Å; L171-Q203 HydrophobicContact CD1-CB 4.41Å; L171-Q203 HydrophobicContact CD1-CG 4.48Å; L171-Q203 HydrophobicContact CD2-CB 3.96Å; L171-Q203 HydrophobicContact CD2-CG 4.34Å
172A81.6Confident82.8Confident51 Ų51104.4 Ų104.442%0.42157%0.572SS.*PPolyproline II helixtrans-61.2148.9172.400000110.2K170K170-A172 PolarHBondContact O-N 3.01Å; K170-A172 VanDerWaalsContact O-N 3.14Å
173P88.5Confident83Confident122 Ų122106.6 Ų106.679%0.79257%0.568SS**PPolyproline II helixtrans-60.8150.8175.726.8-34.4000110.7Q175P173-Q175 PolarHBondContact O-N 3.3Å
174A90.8Very high83.3Confident37 Ų37107.7 Ų107.731%0.30657%0.572SS.*PPolyproline II helixtrans-59122.4179.100000111.1Y176 R198 V200A174-Y176 HydrophobicContact CB-CE2 4.48Å; A174-R198 HydrophobicContact CB-CG 4.11Å; A174-V200 HydrophobicContact CB-CG2 4.14Å
175Q94.3Very high84.1Confident128 Ų128103.5 Ų103.560%0.59855%0.552SS**EExtended strand (participates in β ladder)trans-98.6126.5179.8-176.3-179.92.200109.9P173 I177 M199P173-Q175 PolarHBondContact O-N 3.3Å; Q175-I177 HydrophobicContact CG-CG2 4.4Å; Q175-M199 HydrophobicContact CB-CB 4.36Å; Q175-M199 PolarHBondContact N-O 3.21Å; Q175-M199 WeakPolarHBondContact O-CB 3.38Å; Q175-M199 PolarHBondContact O-N 2.82Å
176Y95.5Very high85.2Confident143 Ų143104 Ų10456%0.56156%0.556SS**EExtended strand (participates in β ladder)trans-97.2125.1175.4-65.8-93.1000110.1A174 V196 I197 R198A174-Y176 HydrophobicContact CB-CE2 4.48Å; Y176-V196 HydrophobicContact CD1-CG1 3.99Å; Y176-I197 WeakPolarHBondContact CA-O 3.29Å; Y176-R198 HydrophobicContact CD1-CB 3.94Å; Y176-R198 HydrophobicContact CD1-CG 4.21Å; Y176-R198 HydrophobicContact CE1-CB 3.66Å; Y176-R198 HydrophobicContact CE1-CG 3.68Å; Y176-R198 HydrophobicContact CE2-CG 4.47Å
177I95Very high86.4Confident66 Ų6699.7 Ų99.734%0.33856%0.559SS.*EExtended strand (participates in β ladder)trans-112.7137.7174.663.8177.2000109.9Q175 V196 I197 M199Q175-I177 HydrophobicContact CG-CG2 4.4Å; I177-V196 WeakPolarHBondContact O-CA 3.44Å; I177-I197 HydrophobicContact CD1-CB 4.24Å; I177-I197 HydrophobicContact CD1-CD1 4.36Å; I177-I197 HydrophobicContact CD1-CG2 4.47Å; I177-I197 HydrophobicContact CG1-CB 3.73Å; I177-I197 HydrophobicContact CG1-CD1 4.44Å; I177-I197 HydrophobicContact CG1-CG2 4.35Å; I177-I197 PolarHBondContact N-O 3.41Å; I177-I197 PolarHBondContact O-N 2.69Å; I177-M199 HydrophobicContact CD1-CG 3.88Å; I177-M199 HydrophobicContact CD1-SD 4.06Å; I177-M199 HydrophobicContact CG1-CG 4.13Å; I177-M199 HydrophobicContact CG2-CG 4.42Å
178R96Very high87.6Confident176 Ų176100.3 Ų100.366%0.66455%0.546SS*.EExtended strand (participates in β ladder)trans-93.1116.2173.7-178.2-177.2-66.7-78-3.1108.4Q194R178-Q194 VanDerWaalsContact CD-OE1 3.26Å
179Y95Very high88.5Confident109 Ų10999.1 Ų99.143%0.42753%0.531SS..EExtended strand (participates in β ladder)trans-110.6126.8-179.1179-115.6000110.6P181 Q194 R195 I197Y179-P181 HydrophobicContact CD1-CB 4.5Å; Y179-P181 HydrophobicContact CD1-CG 3.86Å; Y179-P181 HydrophobicContact CE1-CB 3.84Å; Y179-P181 HydrophobicContact CE1-CG 3.66Å; Y179-P181 WeakPolarHBondContact O-CD 3.23Å; Y179-Q194 WeakPolarHBondContact O-CA 3.41Å; Y179-R195 HydrophobicContact CD1-CG 3.86Å; Y179-R195 HydrophobicContact CG-CG 4.48Å; Y179-R195 PolarHBondContact N-O 3.5Å; Y179-R195 PolarHBondContact O-N 3.01Å; Y179-I197 HydrophobicContact CD1-CD1 4.33Å; Y179-I197 HydrophobicContact CG-CD1 4.2Å
180T94.9Very high89.4Confident66 Ų66100.3 Ų100.341%0.40555%0.547SS..  trans-103.2106.3170.2-53.20000107.5Q194T180-Q194 HydrophobicContact CG2-CG 4.34Å; T180-Q194 WeakPolarHBondContact OG1-CG 3.36Å; T180-Q194 PolarHBondContact OG1-NE2 2.67Å; T180-Q194 VanDerWaalsContact OG1-NE2 3.17Å
181P92.8Very high90.1Very high12 Ų1292.6 Ų92.68%0.07853%0.525CS..  trans-62.6141.9177.7-19.731.8000111.5Y179 Q184Y179-P181 HydrophobicContact CD1-CB 4.5Å; Y179-P181 HydrophobicContact CD1-CG 3.86Å; Y179-P181 HydrophobicContact CE1-CB 3.84Å; Y179-P181 HydrophobicContact CE1-CG 3.66Å; Y179-P181 WeakPolarHBondContact O-CD 3.23Å; P181-Q184 VanDerWaalsContact O-CG 3.24Å; P181-Q184 WeakPolarHBondContact O-CG 3.25Å; P181-Q184 PolarHBondContact O-NE2 3.4Å
182S92.8Very high90.7Very high116 Ų11690.6 Ų90.681%0.81152%0.522SS*.SBendtrans-70.3-37.1171.455.80000111.3Q184S182-Q184 PolarHBondContact O-N 2.84Å; S182-Q184 VanDerWaalsContact O-N 3.08Å
183Q89.9Confident91.3Very high127 Ų12796.2 Ų96.259%0.59354%0.537SS*.SBendtrans-76.494.2170.3-170.7178.735.800109F188Q183-F188 HydrophobicContact CG-CD2 4.09Å; Q183-F188 HydrophobicContact CG-CE2 3.94Å; Q183-F188 HydrophobicContact CG-CZ 4.28Å; Q183-F188 VanDerWaalsContact NE2-CZ 3.35Å
184Q87.8Confident91.6Very high125 Ų12594.2 Ų94.258%0.58452%0.517SS*.  trans-99.2152.7175.9-61.2-178.25.200110.2P181 S182P181-Q184 VanDerWaalsContact O-CG 3.24Å; P181-Q184 WeakPolarHBondContact O-CG 3.25Å; P181-Q184 PolarHBondContact O-NE2 3.4Å; S182-Q184 PolarHBondContact O-N 2.84Å; S182-Q184 VanDerWaalsContact O-N 3.08Å
185G88.1Confident91.7Very high42 Ų4297.2 Ų97.243%0.43352%0.52SS..  trans162.8147176.800000109.7A187 F188G185-A187 PolarHBondContact O-N 2.92Å; G185-F188 PolarHBondContact O-N 3.3Å; G185-F188 VanDerWaalsContact O-O 3.13Å
186V90Very high91.7Very high131 Ų13195.4 Ų95.479%0.79452%0.518SS*.THydrogen-bonded Turntrans-60.8-28-178.166.80000112.5F188 G191V186-F188 VanDerWaalsContact C-N 3.31Å; V186-F188 PolarHBondContact O-N 2.75Å; V186-G191 WeakPolarHBondContact O-CA 3.2Å; V186-G191 PolarHBondContact O-N 2.87Å; V186-G191 VanDerWaalsContact O-N 3.17Å
187A90.8Very high91.7Very high93 Ų9391.4 Ų91.477%0.76951%0.505SS*.THydrogen-bonded Turntrans-73.1-20.7175.900000113.6G185G185-A187 PolarHBondContact O-N 2.92Å
188F87.8Confident91.7Very high96 Ų9695.7 Ų95.742%0.42152%0.517SS..SBendtrans-96.2149.7178-66.1-72.3000110.5Q183 G185 V186 S190 G191Q183-F188 HydrophobicContact CG-CD2 4.09Å; Q183-F188 HydrophobicContact CG-CE2 3.94Å; Q183-F188 HydrophobicContact CG-CZ 4.28Å; Q183-F188 VanDerWaalsContact NE2-CZ 3.35Å; G185-F188 PolarHBondContact O-N 3.3Å; G185-F188 VanDerWaalsContact O-O 3.13Å; V186-F188 VanDerWaalsContact C-N 3.31Å; V186-F188 PolarHBondContact O-N 2.75Å; F188-S190 PolarHBondContact O-N 3.19Å; F188-S190 VanDerWaalsContact O-N 3.1Å; F188-G191 PolarHBondContact O-N 3.29Å
189N86.9Confident91.6Very high44 Ų4491.9 Ų91.924%0.23551%0.508CS..G310 helixtrans54.332.4174.8-158.936.1000113.6G191 A192 Q194 R195N189-G191 PolarHBondContact O-N 3.24Å; N189-G191 VanDerWaalsContact O-N 3.12Å; N189-A192 WeakPolarHBondContact CB-O 3.44Å; N189-A192 PolarHBondContact ND2-O 3.4Å; N189-A192 WeakPolarHBondContact O-CB 3.37Å; N189-A192 PolarHBondContact O-N 3.06Å; N189-Q194 VanDerWaalsContact ND2-C 3.34Å; N189-Q194 PolarHBondContact ND2-O 3.43Å; N189-R195 PolarHBondContact OD1-NE 2.96Å
190S88.9Confident91.5Very high128 Ų12891 Ų9190%0.89551%0.514SS*.G310 helixtrans50.536.1-176.5-51.30000113.5F188 A192F188-S190 PolarHBondContact O-N 3.19Å; F188-S190 VanDerWaalsContact O-N 3.1Å; S190-A192 VanDerWaalsContact C-N 3.28Å; S190-A192 PolarHBondContact O-N 2.94Å
191G87.5Confident91.2Very high40 Ų4092.4 Ų92.441%0.41252%0.516SS..G310 helixtrans81.6-5.3-178.800000115.4V186 F188 N189V186-G191 WeakPolarHBondContact O-CA 3.2Å; V186-G191 PolarHBondContact O-N 2.87Å; V186-G191 VanDerWaalsContact O-N 3.17Å; F188-G191 PolarHBondContact O-N 3.29Å; N189-G191 PolarHBondContact O-N 3.24Å; N189-G191 VanDerWaalsContact O-N 3.12Å
192A91.1Very high91.1Very high51 Ų5199.6 Ų99.642%0.42155%0.55SS.*  trans-76.6129.1178.300000111.5N189 S190 Q194N189-A192 WeakPolarHBondContact CB-O 3.44Å; N189-A192 PolarHBondContact ND2-O 3.4Å; N189-A192 WeakPolarHBondContact O-CB 3.37Å; N189-A192 PolarHBondContact O-N 3.06Å; S190-A192 VanDerWaalsContact C-N 3.28Å; S190-A192 PolarHBondContact O-N 2.94Å; A192-Q194 WeakPolarHBondContact CB-O 3.41Å; A192-Q194 PolarHBondContact O-N 3.09Å
193K92.6Very high90.9Very high169 Ų169100.8 Ų100.874%0.73554%0.543SS*.SBendtrans-65.4-24175.7-67.3-175.9179.2179.40113.4
194Q94.4Very high90.7Very high80 Ų80100.7 Ų100.737%0.37454%0.541SS..  trans-136.4157.1-176.7-63.4-177.4-18.900110.1R178 Y179 T180 N189 A192R178-Q194 VanDerWaalsContact CD-OE1 3.26Å; Y179-Q194 WeakPolarHBondContact O-CA 3.41Å; T180-Q194 HydrophobicContact CG2-CG 4.34Å; T180-Q194 WeakPolarHBondContact OG1-CG 3.36Å; T180-Q194 PolarHBondContact OG1-NE2 2.67Å; T180-Q194 VanDerWaalsContact OG1-NE2 3.17Å; N189-Q194 VanDerWaalsContact ND2-C 3.34Å; N189-Q194 PolarHBondContact ND2-O 3.43Å; A192-Q194 WeakPolarHBondContact CB-O 3.41Å; A192-Q194 PolarHBondContact O-N 3.09Å
195R93.2Very high90.7Very high99 Ų9999.1 Ų99.137%0.37454%0.537SS..EExtended strand (participates in β ladder)trans-128145.8168.761-174.672.7176.45109.8Y179 N189 I197Y179-R195 HydrophobicContact CD1-CG 3.86Å; Y179-R195 HydrophobicContact CG-CG 4.48Å; Y179-R195 PolarHBondContact N-O 3.5Å; Y179-R195 PolarHBondContact O-N 3.01Å; N189-R195 PolarHBondContact OD1-NE 2.96Å; R195-I197 HydrophobicContact CG-CD1 4.35Å; R195-I197 HydrophobicContact CG-CG1 4.24Å
196V95Very high90.5Very high90 Ų90101.8 Ų101.855%0.54555%0.546SS..EExtended strand (participates in β ladder)trans-100.1126172.8-177.70000107.5Y176 I177Y176-V196 HydrophobicContact CD1-CG1 3.99Å; I177-V196 WeakPolarHBondContact O-CA 3.44Å
197I94.8Very high90.4Very high59 Ų59103.3 Ų103.330%0.30355%0.546SS..EExtended strand (participates in β ladder)trans-112.3126.1-177.7-58.1161.8000107.4Y176 I177 Y179 R195 M199Y176-I197 WeakPolarHBondContact CA-O 3.29Å; I177-I197 HydrophobicContact CD1-CB 4.24Å; I177-I197 HydrophobicContact CD1-CD1 4.36Å; I177-I197 HydrophobicContact CD1-CG2 4.47Å; I177-I197 HydrophobicContact CG1-CB 3.73Å; I177-I197 HydrophobicContact CG1-CD1 4.44Å; I177-I197 HydrophobicContact CG1-CG2 4.35Å; I177-I197 PolarHBondContact N-O 3.41Å; I177-I197 PolarHBondContact O-N 2.69Å; Y179-I197 HydrophobicContact CD1-CD1 4.33Å; Y179-I197 HydrophobicContact CG-CD1 4.2Å; R195-I197 HydrophobicContact CG-CD1 4.35Å; R195-I197 HydrophobicContact CG-CG1 4.24Å; I197-M199 HydrophobicContact CG2-SD 3.87Å
198R95.7Very high90.2Very high156 Ų156102.5 Ų102.559%0.58953%0.527SS*.EExtended strand (participates in β ladder)trans-87.7110.3171.8-174.8-176.1174-176.1-1.3108.7A174 Y176 V200A174-R198 HydrophobicContact CB-CG 4.11Å; Y176-R198 HydrophobicContact CD1-CB 3.94Å; Y176-R198 HydrophobicContact CD1-CG 4.21Å; Y176-R198 HydrophobicContact CE1-CB 3.66Å; Y176-R198 HydrophobicContact CE1-CG 3.68Å; Y176-R198 HydrophobicContact CE2-CG 4.47Å; R198-V200 HydrophobicContact CG-CG2 4.05Å
199M94.7Very high90.3Very high97 Ų97102.6 Ų102.648%0.47854%0.537SS..EExtended strand (participates in β ladder)trans-87.7125.2172.8-60.6-62.5-6900109.1Q175 I177 I197Q175-M199 HydrophobicContact CB-CB 4.36Å; Q175-M199 PolarHBondContact N-O 3.21Å; Q175-M199 WeakPolarHBondContact O-CB 3.38Å; Q175-M199 PolarHBondContact O-N 2.82Å; I177-M199 HydrophobicContact CD1-CG 3.88Å; I177-M199 HydrophobicContact CD1-SD 4.06Å; I177-M199 HydrophobicContact CG1-CG 4.13Å; I177-M199 HydrophobicContact CG2-CG 4.42Å; I197-M199 HydrophobicContact CG2-SD 3.87Å
200V92.6Very high90.4Very high90 Ų90106.2 Ų106.255%0.54556%0.563SS.*  trans-128.8130.2174.1-175.70000107A174 R198A174-V200 HydrophobicContact CB-CG2 4.14Å; R198-V200 HydrophobicContact CG-CG2 4.05Å
201E88.9Confident90.6Very high95 Ų95108.1 Ų108.144%0.44455%0.55SS.*PPolyproline II helixtrans-70.7129.3174.3-172.8168.5-170.800109.5L171 Q203 K204L171-E201 WeakPolarHBondContact CD2-O 3.4Å; E201-Q203 PolarHBondContact O-N 2.94Å; E201-K204 IonicContact OE1-NZ 3.72Å
202M89.7Confident90.9Very high163 Ų163114.2 Ų114.280%0.80357%0.566SS**PPolyproline II helixtrans-68.4124.6176.1-171.480.574.200108.9K204M202-K204 PolarHBondContact O-N 3.12Å
203Q87.9Confident91Very high142 Ų142120.9 Ų120.966%0.66459%0.585SS**PPolyproline II helixtrans-59.7122.2175.6-166.4173.55.200109.7L171 E201L171-Q203 HydrophobicContact CD1-CB 4.41Å; L171-Q203 HydrophobicContact CD1-CG 4.48Å; L171-Q203 HydrophobicContact CD2-CB 3.96Å; L171-Q203 HydrophobicContact CD2-CG 4.34Å; E201-Q203 PolarHBondContact O-N 2.94Å
204K85.8Confident91.1Very high124 Ų124120.4 Ų120.454%0.53959%0.589SS.*PPolyproline II helixtrans-83.8134.7176.3-66.2174.8-170.4141.20109.2D169 E201 M202 P206D169-K204 IonicContact OD2-NZ 3.8Å; E201-K204 IonicContact OE1-NZ 3.72Å; M202-K204 PolarHBondContact O-N 3.12Å; K204-P206 WeakPolarHBondContact O-CD 3.44Å
205D87.8Confident91.1Very high93 Ų93122.7 Ų122.750%0.49760%0.604SS.*PPolyproline II helixtrans-69.5121.1172.9173.86.8000109.1M207 E208D205-M207 PolarHBondContact O-N 3.35Å; D205-M207 PolarHBondContact OD1-N 3.24Å; D205-E208 HydrophobicContact CB-CB 3.91Å; D205-E208 WeakPolarHBondContact O-CB 3.46Å; D205-E208 PolarHBondContact O-N 3.08Å; D205-E208 VanDerWaalsContact O-N 3.13Å
206P84.6Confident91.1Very high97 Ų97126.1 Ų126.163%0.6362%0.622SS**THydrogen-bonded Turntrans-64.4-17.5179.427.6-35.9000113.7K204K204-P206 WeakPolarHBondContact O-CD 3.44Å
207M87.7Confident91.1Very high163 Ų163131.5 Ų131.580%0.80364%0.638SS**THydrogen-bonded Turntrans-96.2-2.5177.4-59.7-60.4167.100113.1D205 P209D205-M207 PolarHBondContact O-N 3.35Å; D205-M207 PolarHBondContact OD1-N 3.24Å; M207-P209 WeakPolarHBondContact O-CD 3.17Å
208E87.2Confident91.1Very high77 Ų77135 Ų13536%0.3666%0.656SS.*PPolyproline II helixtrans-73.4121.7179.2-176.6175.2-156.200110.8D205 R211D205-E208 HydrophobicContact CB-CB 3.91Å; D205-E208 WeakPolarHBondContact O-CB 3.46Å; D205-E208 PolarHBondContact O-N 3.08Å; D205-E208 VanDerWaalsContact O-N 3.13Å; E208-R211 IonicContact OE1-CZ 3.9Å; E208-R211 IonicContact OE1-NE 3.54Å; E208-R211 PolarHBondContact OE1-NE 2.93Å; E208-R211 IonicContact OE1-NH2 3.84Å; E208-R211 PolarHBondContact OE1-NH2 3.48Å; E208-R211 VanDerWaalsContact OE1-NH2 3.13Å; E208-R211 IonicContact OE2-CZ 2.76Å; E208-R211 IonicContact OE2-NE 3.73Å; E208-R211 PolarHBondContact OE2-NE 3.38Å; E208-R211 IonicContact OE2-NH2 2.58Å; E208-R211 PolarHBondContact OE2-NH2 2.98Å
209P89Confident91.1Very high97 Ų97133.3 Ų133.363%0.6367%0.665SS**PPolyproline II helixtrans-69.416317530.2-35.2000111.3M207 R211M207-P209 WeakPolarHBondContact O-CD 3.17Å; P209-R211 PolarHBondContact O-N 3.01Å
210P90.2Very high91.2Very high120 Ų120140.3 Ų140.378%0.77969%0.686SS**PPolyproline II helixtrans-53.7116.7175.6-26.434.9000112.8F212P210-F212 VanDerWaalsContact C-N 3.3Å; P210-F212 PolarHBondContact O-N 2.91Å
211R91.5Very high91.2Very high168 Ų168138.4 Ų138.463%0.63469%0.685SS**SBendtrans-59.4-32.2-173.8-67.3-176.5-177.8152.28115.2E208 P209E208-R211 IonicContact OE1-CZ 3.9Å; E208-R211 IonicContact OE1-NE 3.54Å; E208-R211 PolarHBondContact OE1-NE 2.93Å; E208-R211 IonicContact OE1-NH2 3.84Å; E208-R211 PolarHBondContact OE1-NH2 3.48Å; E208-R211 VanDerWaalsContact OE1-NH2 3.13Å; E208-R211 IonicContact OE2-CZ 2.76Å; E208-R211 IonicContact OE2-NE 3.73Å; E208-R211 PolarHBondContact OE2-NE 3.38Å; E208-R211 IonicContact OE2-NH2 2.58Å; E208-R211 PolarHBondContact OE2-NH2 2.98Å; P209-R211 PolarHBondContact O-N 3.01Å
212F94.1Very high91.5Very high169 Ų169139.9 Ų139.974%0.74170%0.703SS**SBendtrans-130146.3-170.1-50.3-61000112.2P210 I214P210-F212 VanDerWaalsContact C-N 3.3Å; P210-F212 PolarHBondContact O-N 2.91Å; F212-I214 PolarHBondContact O-N 3.26Å
213K93.7Very high91.7Very high190 Ų190137.5 Ų137.583%0.82670%0.699SS**  trans-73119.9174.8-65.9-173.7179.3-177.40110.5
214I93.6Very high91.9Very high160 Ų160134.3 Ų134.382%0.82169%0.693SS**  trans-90.1-14.4-178.7-58.2171.7000112F212 K216F212-I214 PolarHBondContact O-N 3.26Å; I214-K216 PolarHBondContact O-N 3.43Å
215N94.5Very high92.2Very high127 Ų127130.4 Ų130.468%0.67968%0.68SS**  trans-78.219-172.469.1-28.8000115.3K217N215-K217 PolarHBondContact O-N 2.82Å; N215-K217 VanDerWaalsContact O-N 3.08Å
216K94.4Very high92.5Very high171 Ų171131.5 Ų131.574%0.74369%0.692SS**  trans-68.5107.6177.7-172.3177.4-179178.90109.5I214 I218I214-K216 PolarHBondContact O-N 3.43Å; K216-I218 HydrophobicContact CG-CG2 4.39Å; K216-I218 PolarHBondContact O-N 2.9Å
217K95Very high92.9Very high204 Ų204130.3 Ų130.389%0.88769%0.69SS**  trans-74.4115.9175.4-65.4-178.2-178.8178.90109.3N215N215-K217 PolarHBondContact O-N 2.82Å; N215-K217 VanDerWaalsContact O-N 3.08Å
218I94.4Very high93.2Very high133 Ų133124.5 Ų124.568%0.68267%0.665SS**  trans-108.4146.3173.656.4175.7000109.7K216K216-I218 HydrophobicContact CG-CG2 4.39Å; K216-I218 PolarHBondContact O-N 2.9Å
219P96Very high93.6Very high120 Ų120126 Ų12678%0.77968%0.679SS**PPolyproline II helixtrans-56.8155.1168.8-22.233.5000110.7G221P219-G221 PolarHBondContact O-N 3.29Å
220R95.9Very high93.8Very high243 Ų243124.1 Ų124.192%0.91766%0.663SS**PPolyproline II helixtrans-61.4129.9171-168.4-179.2-67.6-98.41.1108.2
221G94.1Very high93.9Very high51 Ų51125.3 Ų125.353%0.52666%0.658SS.*PPolyproline II helixtrans-61.3168.617200000111.7P219P219-G221 PolarHBondContact O-N 3.29Å
222P94.6Very high94Very high126 Ų126122 Ų12282%0.81866%0.66SS**PPolyproline II helixtrans-56.8144.4172.426.3-33.6000109.7
223P94.3Very high93.9Very high113 Ų113119.4 Ų119.473%0.73466%0.66SS**PPolyproline II helixtrans-64.4171.6172.430.8-35.4000110.1
224S92.4Very high93.9Very high75 Ų75115.7 Ų115.752%0.52466%0.658SS.*SBendtrans-55146162.657.40000109.4
225P91.8Very high93.9Very high42 Ų42117.5 Ų117.527%0.27366%0.655SS.*  trans-42.9132.1176.6-26.227.7000111.1Q104 Q106 A227Q104-P225 WeakPolarHBondContact O-CG 3.41Å; Q106-P225 HydrophobicContact CG-CB 4.4Å; Q106-P225 HydrophobicContact CG-CG 3.96Å; Q106-P225 PolarHBondContact NE2-O 3.21Å; P225-A227 PolarHBondContact O-N 3.14Å
226P92.4Very high93.9Very high116 Ų116120.3 Ų120.375%0.75366%0.661SS**PPolyproline II helixtrans-59.6130.7-171.124.7-33.7000109.9
227A94Very high93.9Very high71 Ų71116.9 Ų116.959%0.58765%0.649SS**PPolyproline II helixtrans-65.6141.1173.400000109.5P225 V229P225-A227 PolarHBondContact O-N 3.14Å; A227-V229 PolarHBondContact O-N 3.44Å
228P95Very high93.9Very high42 Ų42110.7 Ų110.727%0.27363%0.628SS.*PPolyproline II helixtrans-55132.8171.7-25.435.5000111.2A102 I112 Y113 M230A102-P228 HydrophobicContact CB-CG 3.65Å; I112-P228 VanDerWaalsContact CG2-CD 3.41Å; I112-P228 HydrophobicContact CG2-CG 4.01Å; Y113-P228 WeakPolarHBondContact O-CB 3.39Å; Y113-P228 VanDerWaalsContact O-CG 3.32Å; Y113-P228 WeakPolarHBondContact O-CG 3.44Å; P228-M230 HydrophobicContact CB-SD 4.3Å; P228-M230 PolarHBondContact O-N 2.95Å
229V95Very high94Very high109 Ų109109.5 Ų109.566%0.66163%0.627SS**  trans-86.5103.7-177.6-177.80000108.9A227 H231A227-V229 PolarHBondContact O-N 3.44Å; V229-H231 VanDerWaalsContact C-N 3.34Å; V229-H231 WeakPolarHBondContact CG1-CE1 3.5Å; V229-H231 VanDerWaalsContact CG1-NE2 3.29Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.38Å; V229-H231 PolarHBondContact O-N 3.23Å; V229-H231 VanDerWaalsContact O-N 3.13Å
230M92.3Very high94.1Very high57 Ų57110.6 Ų110.628%0.28162%0.619SS.*  trans-8867.5-175.2-57.1-58.5-86.800110.6K115 D118 L119 P228K115-M230 WeakPolarHBondContact O-CE 3.41Å; D118-M230 HydrophobicContact CB-CE 3.9Å; L119-M230 HydrophobicContact CB-CE 4.42Å; L119-M230 HydrophobicContact CD1-CB 4.38Å; L119-M230 HydrophobicContact CD1-CE 3.88Å; L119-M230 HydrophobicContact CD1-SD 4.39Å; L119-M230 HydrophobicContact CD2-CB 3.7Å; L119-M230 WeakPolarHBondContact CD2-O 3.24Å; L119-M230 HydrophobicContact CG-CB 3.95Å; L119-M230 HydrophobicContact CG-CE 3.61Å; L119-M230 HydrophobicContact CG-SD 4.45Å; P228-M230 HydrophobicContact CB-SD 4.3Å; P228-M230 PolarHBondContact O-N 2.95Å
231H93.3Very high94.1Very high145 Ų145100.5 Ų100.567%0.67158%0.583SS**PPolyproline II helixtrans-85155.5173.2-69168.5000111.6V229V229-H231 VanDerWaalsContact C-N 3.34Å; V229-H231 WeakPolarHBondContact CG1-CE1 3.5Å; V229-H231 VanDerWaalsContact CG1-NE2 3.29Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.38Å; V229-H231 PolarHBondContact O-N 3.23Å; V229-H231 VanDerWaalsContact O-N 3.13Å
232S93Very high94.2Very high97 Ų97103.7 Ų103.768%0.67858%0.584SS**PPolyproline II helixtrans-63.1162.4160.154.80000110.5S234S232-S234 PolarHBondContact O-N 3.28Å
233P92.6Very high94.3Very high115 Ų115104 Ų10475%0.74757%0.574SS**SBendtrans-49.8131.3172-27.635.5000110.8R235P233-R235 PolarHBondContact O-N 3.5Å
234S94.2Very high94.4Very high113 Ų113104.8 Ų104.879%0.7957%0.568SS**PPolyproline II helixtrans-54.8124.7-175.2590000110.6S232 K236S232-S234 PolarHBondContact O-N 3.28Å; S234-K236 PolarHBondContact O-N 2.94Å
235R93.6Very high94.6Very high198 Ų198110 Ų11075%0.74758%0.576SS**PPolyproline II helixtrans-54.1131.2176.1-173.9-179.6176.9-139.7-6.1109.2P233 M237 E241P233-R235 PolarHBondContact O-N 3.5Å; R235-M237 PolarHBondContact O-N 3.3Å; R235-E241 IonicContact CZ-OE1 3.65Å; R235-E241 IonicContact CZ-OE2 3.92Å; R235-E241 IonicContact NH1-OE1 2.86Å; R235-E241 PolarHBondContact NH1-OE1 3Å; R235-E241 IonicContact NH1-OE2 2.68Å; R235-E241 IonicContact NH2-OE1 3.74Å; R235-E241 IonicContact NH2-OE2 2.75Å
236K94.1Very high94.9Very high186 Ų186116 Ų11681%0.80960%0.598SS**  trans-68.997179.9-168.268.6172.4174.40109.4S234 T238S234-K236 PolarHBondContact O-N 2.94Å; K236-T238 PolarHBondContact O-N 2.85Å
237M93.9Very high95Very high99 Ų99117.6 Ų117.649%0.48860%0.599SS.*  trans-61.7121.3175.2-174.164.569.600109.3R235 E241 Q242R235-M237 PolarHBondContact O-N 3.3Å; M237-E241 HydrophobicContact SD-CB 3.75Å; M237-E241 HydrophobicContact SD-CG 3.47Å; M237-E241 WeakPolarHBondContact SD-CG 3.38Å; M237-Q242 HydrophobicContact CG-CB 4.17Å
238T95.7Very high95Very high74 Ų74119.1 Ų119.145%0.45460%0.603SS.*  trans-79.6150.1174.768.30000109.8K236 K240 E241 Q242K236-T238 PolarHBondContact O-N 2.85Å; T238-K240 PolarHBondContact O-N 3.13Å; T238-E241 PolarHBondContact O-N 3.31Å; T238-E241 VanDerWaalsContact OG1-CB 3.27Å; T238-E241 WeakPolarHBondContact OG1-CB 3.2Å; T238-E241 PolarHBondContact OG1-N 3.28Å; T238-Q242 PolarHBondContact O-N 2.8Å
239V96.3Very high95Very high108 Ų108122.3 Ų122.366%0.65562%0.623SS**Hα-helixtrans-59.1-35.1175.7178.20000110.7Q242 Q243V239-Q242 PolarHBondContact O-N 3.39Å; V239-Q243 HydrophobicContact CG1-CG 4.47Å; V239-Q243 WeakPolarHBondContact O-CB 3.45Å; V239-Q243 VanDerWaalsContact O-CG 3.3Å; V239-Q243 WeakPolarHBondContact O-CG 3.49Å; V239-Q243 PolarHBondContact O-N 2.86Å
240K96.6Very high94.9Very high143 Ų143123 Ų12362%0.62263%0.632SS**Hα-helixtrans-58.9-53.3173.7-178-178.4172.7-174.10111.5T238 Q242 Q243 E244T238-K240 PolarHBondContact O-N 3.13Å; K240-Q242 VanDerWaalsContact C-N 3.33Å; K240-Q242 PolarHBondContact O-N 3.38Å; K240-Q243 PolarHBondContact O-N 2.8Å; K240-Q243 VanDerWaalsContact O-N 3.1Å; K240-E244 WeakPolarHBondContact CE-OE1 3.42Å; K240-E244 IonicContact NZ-OE1 2.83Å; K240-E244 WeakPolarHBondContact O-CG 3.42Å; K240-E244 PolarHBondContact O-N 2.76Å
241E96.4Very high95Very high31 Ų31121.9 Ų121.915%0.14563%0.626CS.*Hα-helixtrans-59.9-44.1178.1-171.8175.1-166.100110.7R235 M237 T238 Q243 E244 W245R235-E241 IonicContact CZ-OE1 3.65Å; R235-E241 IonicContact CZ-OE2 3.92Å; R235-E241 IonicContact NH1-OE1 2.86Å; R235-E241 PolarHBondContact NH1-OE1 3Å; R235-E241 IonicContact NH1-OE2 2.68Å; R235-E241 IonicContact NH2-OE1 3.74Å; R235-E241 IonicContact NH2-OE2 2.75Å; M237-E241 HydrophobicContact SD-CB 3.75Å; M237-E241 HydrophobicContact SD-CG 3.47Å; M237-E241 WeakPolarHBondContact SD-CG 3.38Å; T238-E241 PolarHBondContact O-N 3.31Å; T238-E241 VanDerWaalsContact OG1-CB 3.27Å; T238-E241 WeakPolarHBondContact OG1-CB 3.2Å; T238-E241 PolarHBondContact OG1-N 3.28Å; E241-Q243 VanDerWaalsContact C-N 3.25Å; E241-Q243 PolarHBondContact O-N 2.66Å; E241-E244 PolarHBondContact O-N 3.21Å; E241-W245 PolarHBondContact O-N 3.08Å; E241-W245 VanDerWaalsContact O-N 3.11Å
242Q96.2Very high95Very high117 Ų117116.4 Ų116.455%0.54761%0.605SS.*Hα-helixtrans-60.4-33.4176.4-173.161.455.400113.3M237 T238 V239 K240M237-Q242 HydrophobicContact CG-CB 4.17Å; T238-Q242 PolarHBondContact O-N 2.8Å; V239-Q242 PolarHBondContact O-N 3.39Å; K240-Q242 VanDerWaalsContact C-N 3.33Å; K240-Q242 PolarHBondContact O-N 3.38Å
243Q97Very high94.9Very high134 Ų134115 Ų11563%0.62659%0.59SS**Hα-helixtrans-77-38.5176.3-74.4176.5-1.600112.5V239 K240 E241 W245 K246V239-Q243 HydrophobicContact CG1-CG 4.47Å; V239-Q243 WeakPolarHBondContact O-CB 3.45Å; V239-Q243 VanDerWaalsContact O-CG 3.3Å; V239-Q243 WeakPolarHBondContact O-CG 3.49Å; V239-Q243 PolarHBondContact O-N 2.86Å; K240-Q243 PolarHBondContact O-N 2.8Å; K240-Q243 VanDerWaalsContact O-N 3.1Å; E241-Q243 VanDerWaalsContact C-N 3.25Å; E241-Q243 PolarHBondContact O-N 2.66Å; Q243-W245 PolarHBondContact O-N 3.42Å; Q243-K246 VanDerWaalsContact O-CB 3.24Å; Q243-K246 WeakPolarHBondContact O-CB 3.47Å; Q243-K246 PolarHBondContact O-N 3.45Å; Q243-K246 VanDerWaalsContact O-N 3.08Å
244E97.1Very high95Very high129 Ų129120.3 Ų120.360%0.60360%0.595SS**Hα-helixtrans-59.5-37.5174.9-74172.2177.100111.7K240 E241 K246K240-E244 WeakPolarHBondContact CE-OE1 3.42Å; K240-E244 IonicContact NZ-OE1 2.83Å; K240-E244 WeakPolarHBondContact O-CG 3.42Å; K240-E244 PolarHBondContact O-N 2.76Å; E241-E244 PolarHBondContact O-N 3.21Å; E244-K246 VanDerWaalsContact C-N 3.28Å; E244-K246 PolarHBondContact O-N 3Å
245W96.5Very high95Very high184 Ų184123 Ų12370%0.69759%0.592SS**THydrogen-bonded Turntrans-84.35.8177.5-70.6104.6000114.3E241 Q243 I247E241-W245 PolarHBondContact O-N 3.08Å; E241-W245 VanDerWaalsContact O-N 3.11Å; Q243-W245 PolarHBondContact O-N 3.42Å; W245-I247 PolarHBondContact O-N 3.15Å
246K97.1Very high95Very high168 Ų168116.5 Ų116.573%0.7357%0.573SS**  trans-76.296.7176.4-169.5176.6179.9179.40110.1Q243 E244 P248Q243-K246 VanDerWaalsContact O-CB 3.24Å; Q243-K246 WeakPolarHBondContact O-CB 3.47Å; Q243-K246 PolarHBondContact O-N 3.45Å; Q243-K246 VanDerWaalsContact O-N 3.08Å; E244-K246 VanDerWaalsContact C-N 3.28Å; E244-K246 PolarHBondContact O-N 3Å; K246-P248 WeakPolarHBondContact O-CD 3.31Å
247I95.7Very high95.2Very high149 Ų149112.7 Ų112.776%0.76458%0.575SS**PPolyproline II helixtrans-64.9122.5179.8-56.7178000110.2W245W245-I247 PolarHBondContact O-N 3.15Å
248P94Very high95.3Very high104 Ų104115.5 Ų115.568%0.67559%0.585SS**PPolyproline II helixtrans-59.1146.9174.5-24.835000112.3K246 C250K246-P248 WeakPolarHBondContact O-CD 3.31Å; P248-C250 PolarHBondContact O-N 3.42Å
249P94.2Very high95.3Very high108 Ų108114.5 Ų114.570%0.70159%0.589SS**PPolyproline II helixtrans-62.6136.1177.927.4-34.4000110.6I251P249-I251 PolarHBondContact O-N 3.23Å
250C93.8Very high95.3Very high124 Ų124116.2 Ų116.284%0.83859%0.585SS**  trans-73.9101.7176.4-176.80000110.2P248P248-C250 PolarHBondContact O-N 3.42Å
251I93.9Very high95.2Very high33 Ų33116.1 Ų116.117%0.16960%0.597CS.*  trans-97.195.1172.3-61.2169.2000107.2P249 I262 K266P249-I251 PolarHBondContact O-N 3.23Å; I251-I262 HydrophobicContact CD1-CG2 3.97Å; I251-I262 HydrophobicContact CG2-CG1 4.37Å; I251-I262 HydrophobicContact CG2-CG2 3.91Å; I251-K266 HydrophobicContact CD1-CB 3.93Å; I251-K266 WeakPolarHBondContact CD1-O 3.49Å
252S92.5Very high95.1Very high30 Ų30116.6 Ų116.621%0.2160%0.6CS.*  trans-77.8141.6178.6-179.80000111W254 K255 R267S252-W254 VanDerWaalsContact C-N 3.27Å; S252-W254 PolarHBondContact OG-N 2.68Å; S252-W254 VanDerWaalsContact OG-N 3.1Å; S252-K255 WeakPolarHBondContact CB-O 3.46Å; S252-K255 PolarHBondContact OG-N 2.74Å; S252-K255 VanDerWaalsContact OG-N 3.16Å; S252-R267 PolarHBondContact O-NH1 3.49Å
253N91.8Very high95Very high69 Ų69114.6 Ų114.637%0.36960%0.597SS.*SBendtrans-78.1-12.4169-70.2-24.2000112.7R267 D271N253-R267 WeakPolarHBondContact OD1-CD 3.4Å; N253-R267 PolarHBondContact OD1-O 2.93Å; N253-R267 VanDerWaalsContact OD1-O 3.12Å; N253-D271 PolarHBondContact ND2-OD2 3.45Å
254W93.5Very high94.8Very high226 Ų226115 Ų11586%0.85660%0.603SS**SBendtrans-106.4-34.9-179-62.3-90.3000113.8S252S252-W254 VanDerWaalsContact C-N 3.27Å; S252-W254 PolarHBondContact OG-N 2.68Å; S252-W254 VanDerWaalsContact OG-N 3.1Å
255K95.2Very high94.6Very high168 Ų168113.3 Ų113.373%0.7360%0.598SS**  trans-127.6131.1-171.5-67.1-65.6-175.7-1800112.3S252S252-K255 WeakPolarHBondContact CB-O 3.46Å; S252-K255 PolarHBondContact OG-N 2.74Å; S252-K255 VanDerWaalsContact OG-N 3.16Å
256N94.6Very high94.4Very high63 Ų63109.5 Ų109.534%0.33759%0.586SS.*  trans-136.976.5172.1-175.98.6000109.2K258 G259 Y260N256-K258 PolarHBondContact O-N 2.96Å; N256-K258 VanDerWaalsContact O-N 3.15Å; N256-G259 VanDerWaalsContact ND2-C 3.35Å; N256-G259 PolarHBondContact O-N 3.12Å; N256-G259 VanDerWaalsContact O-N 3.08Å; N256-G259 PolarHBondContact OD1-N 3.13Å; N256-Y260 PolarHBondContact ND2-N 3.1Å; N256-Y260 VanDerWaalsContact ND2-N 3.12Å; N256-Y260 PolarHBondContact ND2-O 2.65Å; N256-Y260 PolarHBondContact OD1-N 3.2Å
257A96.8Very high94.1Very high105 Ų105104.1 Ų104.187%0.86856%0.561SS**THydrogen-bonded Turntrans-61.2-26.8-169.600000114.2
258K96.5Very high93.9Very high158 Ų158101.9 Ų101.969%0.68755%0.55SS**THydrogen-bonded Turntrans-101.70.6178.9-62.1-57-17277.70113.7N256 Y260N256-K258 PolarHBondContact O-N 2.96Å; N256-K258 VanDerWaalsContact O-N 3.15Å; K258-Y260 VanDerWaalsContact C-N 3.34Å; K258-Y260 HydrophobicContact CB-CD1 4.26Å; K258-Y260 HydrophobicContact CB-CD2 4.12Å; K258-Y260 HydrophobicContact CB-CE1 3.86Å; K258-Y260 HydrophobicContact CB-CE2 3.73Å; K258-Y260 HydrophobicContact CB-CG 4.37Å; K258-Y260 HydrophobicContact CG-CE2 4.15Å; K258-Y260 PolarHBondContact O-N 3.19Å
259G95.1Very high93.6Very high53 Ų53100.6 Ų100.655%0.54655%0.549SS..  trans67.228.9179.800000114.4N256 T261N256-G259 VanDerWaalsContact ND2-C 3.35Å; N256-G259 PolarHBondContact O-N 3.12Å; N256-G259 VanDerWaalsContact O-N 3.08Å; N256-G259 PolarHBondContact OD1-N 3.13Å; G259-T261 PolarHBondContact O-N 3.36Å
260Y96.4Very high93.3Very high145 Ų14599.2 Ų99.257%0.56955%0.546SS*.  trans-64.2131.4178.8-62.8-44.6000111.9N256 K258 I262N256-Y260 PolarHBondContact ND2-N 3.1Å; N256-Y260 VanDerWaalsContact ND2-N 3.12Å; N256-Y260 PolarHBondContact ND2-O 2.65Å; N256-Y260 PolarHBondContact OD1-N 3.2Å; K258-Y260 VanDerWaalsContact C-N 3.34Å; K258-Y260 HydrophobicContact CB-CD1 4.26Å; K258-Y260 HydrophobicContact CB-CD2 4.12Å; K258-Y260 HydrophobicContact CB-CE1 3.86Å; K258-Y260 HydrophobicContact CB-CE2 3.73Å; K258-Y260 HydrophobicContact CB-CG 4.37Å; K258-Y260 HydrophobicContact CG-CE2 4.15Å; K258-Y260 PolarHBondContact O-N 3.19Å; Y260-I262 PolarHBondContact O-N 3.2Å
261T95.5Very high92.8Very high140 Ų14095.1 Ų95.186%0.85952%0.516SS*.  trans-74.9105.3168.4-54.80000108.5G259G259-T261 PolarHBondContact O-N 3.36Å
262I93.9Very high92.3Very high42 Ų4295.3 Ų95.322%0.21553%0.526CS..  trans-100.6123.9178.8-52.4-60.4000108.3I251 Y260 K266 R267I251-I262 HydrophobicContact CD1-CG2 3.97Å; I251-I262 HydrophobicContact CG2-CG1 4.37Å; I251-I262 HydrophobicContact CG2-CG2 3.91Å; Y260-I262 PolarHBondContact O-N 3.2Å; I262-K266 HydrophobicContact CG2-CB 3.59Å; I262-R267 VanDerWaalsContact CG1-NH2 3.27Å
263P95Very high91.6Very high75 Ų75101.8 Ų101.849%0.48755%0.546SS..  trans-51.3145.4172.4-27.736.3000111.8D265 K266 R267P263-D265 VanDerWaalsContact C-N 3.27Å; P263-D265 WeakPolarHBondContact CB-OD1 3.46Å; P263-D265 PolarHBondContact O-N 3.07Å; P263-K266 HydrophobicContact CB-CD 4.36Å; P263-K266 PolarHBondContact O-N 2.83Å; P263-R267 PolarHBondContact O-N 3.35Å
264L92.4Very high91Very high143 Ų143102.3 Ų102.375%0.74957%0.568SS**Hα-helixtrans-60.5-34.9-170.8-63.7177.1000113.2R267 L268L264-R267 WeakPolarHBondContact O-CB 3.44Å; L264-R267 PolarHBondContact O-N 3.12Å; L264-L268 WeakPolarHBondContact O-CG 3.25Å; L264-L268 PolarHBondContact O-N 2.82Å
265D91.7Very high90.8Very high93 Ų9399.3 Ų99.350%0.49757%0.568SS.*Hα-helixtrans-64.1-38.7175.163.1-30000112P263 L268 A269P263-D265 VanDerWaalsContact C-N 3.27Å; P263-D265 WeakPolarHBondContact CB-OD1 3.46Å; P263-D265 PolarHBondContact O-N 3.07Å; D265-L268 PolarHBondContact O-N 2.98Å; D265-A269 WeakPolarHBondContact O-CB 3.41Å; D265-A269 PolarHBondContact O-N 3.19Å
266K93.5Very high90.4Very high104 Ų10498.1 Ų98.145%0.45257%0.565SS.*Hα-helixtrans-75.9-28.6175.1-79.867.5172.9-176.60111.9I251 I262 P263 L268 A269I251-K266 HydrophobicContact CD1-CB 3.93Å; I251-K266 WeakPolarHBondContact CD1-O 3.49Å; I262-K266 HydrophobicContact CG2-CB 3.59Å; P263-K266 HydrophobicContact CB-CD 4.36Å; P263-K266 PolarHBondContact O-N 2.83Å; K266-L268 VanDerWaalsContact C-N 3.34Å; K266-A269 WeakPolarHBondContact O-CB 3.35Å; K266-A269 PolarHBondContact O-N 3.16Å
267R91.1Very high90.2Very high54 Ų5499.8 Ų99.820%0.20458%0.577CS.*Hα-helixtrans-65.4-39.9172.2-172.166.965.7-173.72.8111.2S252 N253 I262 P263 L264S252-R267 PolarHBondContact O-NH1 3.49Å; N253-R267 WeakPolarHBondContact OD1-CD 3.4Å; N253-R267 PolarHBondContact OD1-O 2.93Å; N253-R267 VanDerWaalsContact OD1-O 3.12Å; I262-R267 VanDerWaalsContact CG1-NH2 3.27Å; P263-R267 PolarHBondContact O-N 3.35Å; L264-R267 WeakPolarHBondContact O-CB 3.44Å; L264-R267 PolarHBondContact O-N 3.12Å
268L90.2Very high89.9Confident102 Ų102101.5 Ų101.553%0.53458%0.577SS.*Hα-helixtrans-86.7-9.2177.4-64.1170.3000113.4L264 D265 K266 A270 D271L264-L268 WeakPolarHBondContact O-CG 3.25Å; L264-L268 PolarHBondContact O-N 2.82Å; D265-L268 PolarHBondContact O-N 2.98Å; K266-L268 VanDerWaalsContact C-N 3.34Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.22Å; L268-D271 WeakPolarHBondContact O-CA 3.49Å; L268-D271 WeakPolarHBondContact O-CB 3.28Å; L268-D271 PolarHBondContact O-N 3.06Å
269A89.1Confident89.6Confident78 Ų78101.4 Ų101.465%0.64558%0.578SS**THydrogen-bonded Turntrans-62.1-34.2-175.200000114D265 K266 D271D265-A269 WeakPolarHBondContact O-CB 3.41Å; D265-A269 PolarHBondContact O-N 3.19Å; K266-A269 WeakPolarHBondContact O-CB 3.35Å; K266-A269 PolarHBondContact O-N 3.16Å; A269-D271 VanDerWaalsContact C-N 3.27Å
270A87.7Confident89.5Confident79 Ų79105.5 Ų105.565%0.65359%0.586SS**THydrogen-bonded Turntrans-81.1-10.8174.600000112.6L268 G272L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.22Å; A270-G272 PolarHBondContact O-N 3.2Å
271D82.6Confident89.4Confident37 Ų37102.5 Ų102.520%0.19858%0.58CS.*  trans-86.790.1-176.3-149.3-26.7000109.2N253 L268 A269 R273N253-D271 PolarHBondContact ND2-OD2 3.45Å; L268-D271 WeakPolarHBondContact O-CA 3.49Å; L268-D271 WeakPolarHBondContact O-CB 3.28Å; L268-D271 PolarHBondContact O-N 3.06Å; A269-D271 VanDerWaalsContact C-N 3.27Å; D271-R273 VanDerWaalsContact CG-NE 3.28Å; D271-R273 PolarHBondContact O-N 3.13Å; D271-R273 WeakPolarHBondContact OD1-CG 3.4Å; D271-R273 IonicContact OD1-CZ 3.97Å; D271-R273 IonicContact OD1-NE 3.09Å; D271-R273 PolarHBondContact OD1-NE 3.39Å; D271-R273 IonicContact OD1-NH2 2.78Å; D271-R273 IonicContact OD2-CZ 3.12Å; D271-R273 VanDerWaalsContact OD2-CZ 3.3Å; D271-R273 IonicContact OD2-NE 2.66Å; D271-R273 PolarHBondContact OD2-NE 3.03Å; D271-R273 IonicContact OD2-NH2 3.95Å; D271-R273 PolarHBondContact OD2-NH2 2.88Å
272G82.7Confident89.4Confident38 Ų38101.9 Ų101.939%0.39257%0.567SS.*G310 helixtrans-65.415-176.900000115.6A270 G274 L275A270-G272 PolarHBondContact O-N 3.2Å; G272-G274 PolarHBondContact O-N 3.38Å; G272-L275 WeakPolarHBondContact O-CB 3.47Å; G272-L275 PolarHBondContact O-N 3.26Å
273R78.2Confident89.6Confident166 Ų166104 Ų10463%0.62658%0.579SS**G310 helixtrans-57.4-30.1176.5-77.6-174.8-101.8-177.3-4.4112.7D271 L275 Q276D271-R273 VanDerWaalsContact CG-NE 3.28Å; D271-R273 PolarHBondContact O-N 3.13Å; D271-R273 WeakPolarHBondContact OD1-CG 3.4Å; D271-R273 IonicContact OD1-CZ 3.97Å; D271-R273 IonicContact OD1-NE 3.09Å; D271-R273 PolarHBondContact OD1-NE 3.39Å; D271-R273 IonicContact OD1-NH2 2.78Å; D271-R273 IonicContact OD2-CZ 3.12Å; D271-R273 VanDerWaalsContact OD2-CZ 3.3Å; D271-R273 IonicContact OD2-NE 2.66Å; D271-R273 PolarHBondContact OD2-NE 3.03Å; D271-R273 IonicContact OD2-NH2 3.95Å; D271-R273 PolarHBondContact OD2-NH2 2.88Å; R273-L275 VanDerWaalsContact C-N 3.29Å; R273-L275 PolarHBondContact O-N 2.68Å; R273-Q276 PolarHBondContact O-N 3.12Å
274G80.4Confident89.6Confident79 Ų79106.3 Ų106.381%0.81458%0.582SS**G310 helixtrans-70.9-18.9173.600000114.9G272 Q276G272-G274 PolarHBondContact O-N 3.38Å; G274-Q276 VanDerWaalsContact C-N 3.33Å
275L87.9Confident89.8Confident164 Ų164102.2 Ų102.286%0.85957%0.569SS**G310 helixtrans-85.1-9.7172.2-85.275.5000112.1G272 R273G272-L275 WeakPolarHBondContact O-CB 3.47Å; G272-L275 PolarHBondContact O-N 3.26Å; R273-L275 VanDerWaalsContact C-N 3.29Å; R273-L275 PolarHBondContact O-N 2.68Å
276Q87Confident90.1Very high143 Ų143103 Ų10367%0.66857%0.568SS**  trans-90.2121.4177.8-61.9177.6-5.600109.5R273 G274R273-Q276 PolarHBondContact O-N 3.12Å; G274-Q276 VanDerWaalsContact C-N 3.33Å
277T90.4Very high90.2Very high97 Ų97102.8 Ų102.860%0.59557%0.571SS**  trans-93.4132.3167.9164.80000109.5H279T277-H279 WeakPolarHBondContact CG2-CE1 3.45Å; T277-H279 WeakPolarHBondContact CG2-NE2 3.42Å; T277-H279 PolarHBondContact O-ND1 3.37Å
278V90.4Very high90.5Very high142 Ų142103.2 Ų103.286%0.86159%0.585SS**  trans-85.7111.5175.9-177.70000108.1
279H91Very high90.8Very high156 Ų156104.5 Ų104.572%0.72259%0.589SS**  trans-93.2124.3176.8-53.791.7000109.5T277T277-H279 WeakPolarHBondContact CG2-CE1 3.45Å; T277-H279 WeakPolarHBondContact CG2-NE2 3.42Å; T277-H279 PolarHBondContact O-ND1 3.37Å
280I93.3Very high91.2Very high138 Ų138103.5 Ų103.571%0.70858%0.58SS**  trans-105.3133.7171.2-167.265.7000109.6F284I280-F284 HydrophobicContact CD1-CD2 3.47Å; I280-F284 VanDerWaalsContact CD1-CD2 3.47Å; I280-F284 HydrophobicContact CD1-CE2 3.64Å; I280-F284 HydrophobicContact CD1-CG 4.26Å; I280-F284 HydrophobicContact CG1-CD2 3.87Å; I280-F284 HydrophobicContact CG1-CE2 4.47Å
281N94.2Very high91.7Very high83 Ų83105 Ų10544%0.44458%0.577SS.*  trans-75.4134.7-177.4-169.2-23.6000110.9N283 F284N281-N283 PolarHBondContact ND2-ND2 2.95Å; N281-N283 PolarHBondContact O-N 3.05Å; N281-N283 VanDerWaalsContact O-N 3.1Å; N281-N283 PolarHBondContact OD1-N 2.88Å; N281-N283 PolarHBondContact OD1-ND2 3.27Å; N281-F284 HydrophobicContact CB-CD2 3.96Å; N281-F284 HydrophobicContact CB-CE2 4.06Å; N281-F284 WeakPolarHBondContact O-CB 3.43Å; N281-F284 VanDerWaalsContact O-CD2 3.29Å; N281-F284 WeakPolarHBondContact O-CD2 3.29Å; N281-F284 PolarHBondContact O-N 3.01Å
282E95.5Very high92.3Very high126 Ų126110.7 Ų110.759%0.58960%0.597SS**THydrogen-bonded Turntrans-58.7-21.3175.257.2169.4-142.500113.6F284 A285 K286E282-F284 PolarHBondContact O-N 3.05Å; E282-A285 WeakPolarHBondContact O-CB 3.49Å; E282-A285 PolarHBondContact O-N 3.2Å; E282-K286 PolarHBondContact O-N 3.32Å; E282-K286 VanDerWaalsContact O-N 3.17Å; E282-K286 IonicContact OE1-NZ 3.07Å; E282-K286 PolarHBondContact OE1-NZ 3.19Å
283N96.4Very high93Very high86 Ų86112.8 Ų112.846%0.4660%0.598SS.*Hα-helixtrans-59.7-26.4174.2-67.5-21.6000112.8N281 A285 K286 L287N281-N283 PolarHBondContact ND2-ND2 2.95Å; N281-N283 PolarHBondContact O-N 3.05Å; N281-N283 VanDerWaalsContact O-N 3.1Å; N281-N283 PolarHBondContact OD1-N 2.88Å; N281-N283 PolarHBondContact OD1-ND2 3.27Å; N283-A285 VanDerWaalsContact C-N 3.32Å; N283-K286 PolarHBondContact O-N 2.86Å; N283-L287 WeakPolarHBondContact O-CB 3.49Å; N283-L287 PolarHBondContact O-N 3.32Å
284F96.9Very high93.9Very high125 Ų125107.6 Ų107.655%0.54859%0.591SS.*Hα-helixtrans-65.8-36.8174-72.3-72.4000111.8I280 N281 E282 A288I280-F284 HydrophobicContact CD1-CD2 3.47Å; I280-F284 VanDerWaalsContact CD1-CD2 3.47Å; I280-F284 HydrophobicContact CD1-CE2 3.64Å; I280-F284 HydrophobicContact CD1-CG 4.26Å; I280-F284 HydrophobicContact CG1-CD2 3.87Å; I280-F284 HydrophobicContact CG1-CE2 4.47Å; N281-F284 HydrophobicContact CB-CD2 3.96Å; N281-F284 HydrophobicContact CB-CE2 4.06Å; N281-F284 WeakPolarHBondContact O-CB 3.43Å; N281-F284 VanDerWaalsContact O-CD2 3.29Å; N281-F284 WeakPolarHBondContact O-CD2 3.29Å; N281-F284 PolarHBondContact O-N 3.01Å; E282-F284 PolarHBondContact O-N 3.05Å; F284-A288 WeakPolarHBondContact O-CB 3.32Å; F284-A288 PolarHBondContact O-N 3.01Å
285A96.4Very high94.7Very high57 Ų57107.5 Ų107.547%0.47157%0.572SS.*Hα-helixtrans-68.9-47.9174.300000110.9E282 N283 L287 A288 E289E282-A285 WeakPolarHBondContact O-CB 3.49Å; E282-A285 PolarHBondContact O-N 3.2Å; N283-A285 VanDerWaalsContact C-N 3.32Å; A285-L287 VanDerWaalsContact C-N 3.29Å; A285-L287 PolarHBondContact O-N 3.1Å; A285-A288 PolarHBondContact O-N 3.17Å; A285-E289 WeakPolarHBondContact O-CG 3.2Å; A285-E289 PolarHBondContact O-N 3.46Å
286K97Very high95.1Very high110 Ų110105 Ų10548%0.47855%0.551SS.*Hα-helixtrans-57.6-41.4176.6-62.8176.9-171164.50112E282 N283 A290E282-K286 PolarHBondContact O-N 3.32Å; E282-K286 VanDerWaalsContact O-N 3.17Å; E282-K286 IonicContact OE1-NZ 3.07Å; E282-K286 PolarHBondContact OE1-NZ 3.19Å; N283-K286 PolarHBondContact O-N 2.86Å; K286-A290 VanDerWaalsContact O-CB 3.23Å; K286-A290 WeakPolarHBondContact O-CB 3.39Å; K286-A290 PolarHBondContact O-N 3.5Å
287L97Very high95.6Very high99 Ų99103.4 Ų103.452%0.51854%0.542SS..Hα-helixtrans-66.5-45.3177.3179.264.4000111.8N283 A285 E289 A290 L291N283-L287 WeakPolarHBondContact O-CB 3.49Å; N283-L287 PolarHBondContact O-N 3.32Å; A285-L287 VanDerWaalsContact C-N 3.29Å; A285-L287 PolarHBondContact O-N 3.1Å; L287-E289 PolarHBondContact O-N 2.95Å; L287-A290 PolarHBondContact O-N 2.97Å; L287-L291 HydrophobicContact CD1-CD1 4.18Å; L287-L291 HydrophobicContact CD1-CG 4.26Å; L287-L291 HydrophobicContact CG-CD1 4.17Å; L287-L291 WeakPolarHBondContact O-CB 3.41Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.03Å
288A97.4Very high95.9Very high62 Ų62101.3 Ų101.351%0.51253%0.534SS..Hα-helixtrans-61.9-43.5178.800000111.6F284 A285 Y292F284-A288 WeakPolarHBondContact O-CB 3.32Å; F284-A288 PolarHBondContact O-N 3.01Å; A285-A288 PolarHBondContact O-N 3.17Å; A288-Y292 WeakPolarHBondContact O-CB 3.23Å; A288-Y292 PolarHBondContact O-N 3.37Å
289E96.3Very high96.2Very high130 Ų130102.5 Ų102.561%0.60752%0.523SS*.Hα-helixtrans-66-43.9175.9-71.7-179.317600112.3A285 L287 L291 Y292 I293A285-E289 WeakPolarHBondContact O-CG 3.2Å; A285-E289 PolarHBondContact O-N 3.46Å; L287-E289 PolarHBondContact O-N 2.95Å; E289-L291 PolarHBondContact O-N 2.91Å; E289-Y292 PolarHBondContact O-N 3.25Å; E289-I293 WeakPolarHBondContact O-CG1 3.33Å; E289-I293 PolarHBondContact O-N 3.45Å
290A97.1Very high96.5Very high56 Ų5698.7 Ų98.746%0.46351%0.505SS..Hα-helixtrans-60.5-44.6178.100000111.9K286 L287 I293 A294K286-A290 VanDerWaalsContact O-CB 3.23Å; K286-A290 WeakPolarHBondContact O-CB 3.39Å; K286-A290 PolarHBondContact O-N 3.5Å; L287-A290 PolarHBondContact O-N 2.97Å; A290-I293 PolarHBondContact O-N 3.46Å; A290-A294 WeakPolarHBondContact O-CB 3.48Å; A290-A294 PolarHBondContact O-N 3.44Å
291L97.3Very high96.6Very high112 Ų11294.2 Ų94.259%0.58649%0.489SS*.Hα-helixtrans-65.2-39.6176.4-73174.7000112.1L287 E289 A294 D295L287-L291 HydrophobicContact CD1-CD1 4.18Å; L287-L291 HydrophobicContact CD1-CG 4.26Å; L287-L291 HydrophobicContact CG-CD1 4.17Å; L287-L291 WeakPolarHBondContact O-CB 3.41Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.03Å; E289-L291 PolarHBondContact O-N 2.91Å; L291-A294 PolarHBondContact O-N 2.95Å; L291-D295 PolarHBondContact O-N 3.01Å
292Y96.4Very high96.7Very high155 Ų15595 Ų9561%0.60850%0.497SS*.Hα-helixtrans-64.2-43.5176.4179.7-103.9000112.4A288 E289 A294 D295 R296A288-Y292 WeakPolarHBondContact O-CB 3.23Å; A288-Y292 PolarHBondContact O-N 3.37Å; E289-Y292 PolarHBondContact O-N 3.25Å; Y292-A294 VanDerWaalsContact C-N 3.34Å; Y292-D295 PolarHBondContact O-N 3.43Å; Y292-R296 PolarHBondContact O-N 3.12Å; Y292-R296 VanDerWaalsContact O-N 3.12Å
293I97.3Very high96.7Very high83 Ų8394.6 Ų94.643%0.42650%0.495SS..Hα-helixtrans-64.2-41.7175.7-68168.5000110.6E289 A290 R296 K297E289-I293 WeakPolarHBondContact O-CG1 3.33Å; E289-I293 PolarHBondContact O-N 3.45Å; A290-I293 PolarHBondContact O-N 3.46Å; I293-R296 PolarHBondContact O-N 3.35Å; I293-K297 HydrophobicContact CG2-CG 4.47Å; I293-K297 WeakPolarHBondContact O-CG 3.42Å; I293-K297 PolarHBondContact O-N 2.94Å
294A97.3Very high96.6Very high56 Ų5696.1 Ų96.146%0.46350%0.501SS..Hα-helixtrans-62.2-44.7177.700000112.2A290 L291 Y292 K297 A298A290-A294 WeakPolarHBondContact O-CB 3.48Å; A290-A294 PolarHBondContact O-N 3.44Å; L291-A294 PolarHBondContact O-N 2.95Å; Y292-A294 VanDerWaalsContact C-N 3.34Å; A294-K297 PolarHBondContact O-N 2.88Å; A294-A298 WeakPolarHBondContact O-CB 3.46Å; A294-A298 PolarHBondContact O-N 3.37Å
295D96.4Very high96.5Very high78 Ų7898.6 Ų98.642%0.41751%0.507SS..Hα-helixtrans-61.2-46.4176.4-176.168.2000111.5L291 Y292 K297 A298 R299L291-D295 PolarHBondContact O-N 3.01Å; Y292-D295 PolarHBondContact O-N 3.43Å; D295-K297 VanDerWaalsContact C-N 3.34Å; D295-K297 PolarHBondContact O-N 3.39Å; D295-A298 PolarHBondContact O-N 2.99Å; D295-R299 WeakPolarHBondContact O-CG 3.38Å; D295-R299 PolarHBondContact O-N 2.75Å; D295-R299 IonicContact OD1-NE 3.41Å; D295-R299 IonicContact OD1-NH2 2.73Å; D295-R299 IonicContact OD2-CZ 2.82Å; D295-R299 IonicContact OD2-NE 2.69Å; D295-R299 PolarHBondContact OD2-NE 3.34Å; D295-R299 IonicContact OD2-NH2 2.66Å
296R96.9Very high96.5Very high112 Ų11298.7 Ų98.742%0.42351%0.507SS..Hα-helixtrans-58.6-46177.5-170.7-178.768.7-161.8-3.7111.6Y292 I293 R299 E300Y292-R296 PolarHBondContact O-N 3.12Å; Y292-R296 VanDerWaalsContact O-N 3.12Å; I293-R296 PolarHBondContact O-N 3.35Å; R296-R299 PolarHBondContact O-N 2.86Å; R296-E300 IonicContact NE-OE1 3.54Å; R296-E300 WeakPolarHBondContact O-CG 3.4Å; R296-E300 PolarHBondContact O-N 3.26Å; R296-E300 VanDerWaalsContact O-N 3.07Å
297K97.7Very high96.4Very high109 Ų10998.5 Ų98.547%0.47451%0.508SS..Hα-helixtrans-68.3-35.8179.1-71.5-62.3176.9-163.60113.1I293 A294 D295 E300 A301I293-K297 HydrophobicContact CG2-CG 4.47Å; I293-K297 WeakPolarHBondContact O-CG 3.42Å; I293-K297 PolarHBondContact O-N 2.94Å; A294-K297 PolarHBondContact O-N 2.88Å; D295-K297 VanDerWaalsContact C-N 3.34Å; D295-K297 PolarHBondContact O-N 3.39Å; K297-E300 WeakPolarHBondContact CD-OE2 3.44Å; K297-E300 IonicContact NZ-OE1 2.71Å; K297-E300 IonicContact NZ-OE2 3.56Å; K297-E300 PolarHBondContact NZ-OE2 3.07Å; K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.35Å
298A96.6Very high96.4Very high53 Ų5398 Ų9844%0.43851%0.509SS..Hα-helixtrans-62.8-43.9173.700000111.4A294 D295 A301 V302A294-A298 WeakPolarHBondContact O-CB 3.46Å; A294-A298 PolarHBondContact O-N 3.37Å; D295-A298 PolarHBondContact O-N 2.99Å; A298-A301 PolarHBondContact O-N 3.03Å; A298-V302 VanDerWaalsContact O-CG2 3.27Å; A298-V302 WeakPolarHBondContact O-CG2 3.38Å; A298-V302 PolarHBondContact O-N 2.92Å
299R96.9Very high96.2Very high166 Ų166101.4 Ų101.463%0.62651%0.514SS*.Hα-helixtrans-62-48.5176.4-70.3174.3-176.8-89.7-4.7112.5D295 R296 A301 V302 E303D295-R299 WeakPolarHBondContact O-CG 3.38Å; D295-R299 PolarHBondContact O-N 2.75Å; D295-R299 IonicContact OD1-NE 3.41Å; D295-R299 IonicContact OD1-NH2 2.73Å; D295-R299 IonicContact OD2-CZ 2.82Å; D295-R299 IonicContact OD2-NE 2.69Å; D295-R299 PolarHBondContact OD2-NE 3.34Å; D295-R299 IonicContact OD2-NH2 2.66Å; R296-R299 PolarHBondContact O-N 2.86Å; R299-A301 VanDerWaalsContact C-N 3.3Å; R299-A301 PolarHBondContact O-N 3.29Å; R299-V302 PolarHBondContact O-N 3.38Å; R299-E303 WeakPolarHBondContact O-CB 3.27Å; R299-E303 PolarHBondContact O-N 2.96Å
300E96.3Very high96Very high76 Ų76103.9 Ų103.936%0.35552%0.518SS..Hα-helixtrans-55.8-44.9175.5-73.6171.3-161.100111.3R296 K297 E303 M304R296-E300 IonicContact NE-OE1 3.54Å; R296-E300 WeakPolarHBondContact O-CG 3.4Å; R296-E300 PolarHBondContact O-N 3.26Å; R296-E300 VanDerWaalsContact O-N 3.07Å; K297-E300 WeakPolarHBondContact CD-OE2 3.44Å; K297-E300 IonicContact NZ-OE1 2.71Å; K297-E300 IonicContact NZ-OE2 3.56Å; K297-E300 PolarHBondContact NZ-OE2 3.07Å; E300-E303 PolarHBondContact O-N 3.24Å; E300-M304 WeakPolarHBondContact O-CG 3.4Å; E300-M304 PolarHBondContact O-N 2.98Å
301A95.4Very high95.9Very high45 Ų45107.9 Ų107.937%0.37253%0.525SS..Hα-helixtrans-67.2-40.2-18000000113.2K297 A298 R299 R305K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.35Å; A298-A301 PolarHBondContact O-N 3.03Å; R299-A301 VanDerWaalsContact C-N 3.3Å; R299-A301 PolarHBondContact O-N 3.29Å; A301-R305 WeakPolarHBondContact O-CB 3.32Å; A301-R305 PolarHBondContact O-N 3.36Å
302V96.6Very high95.6Very high99 Ų99108.1 Ų108.160%0.653%0.525SS*.Hα-helixtrans-66.8-41.9176.5171.80000110.6A298 R299 R305 A306A298-V302 VanDerWaalsContact O-CG2 3.27Å; A298-V302 WeakPolarHBondContact O-CG2 3.38Å; A298-V302 PolarHBondContact O-N 2.92Å; R299-V302 PolarHBondContact O-N 3.38Å; V302-R305 PolarHBondContact O-N 3.08Å; V302-A306 WeakPolarHBondContact O-CB 3.44Å; V302-A306 PolarHBondContact O-N 3.33Å
303E95.8Very high95.5Very high118 Ų118103 Ų10355%0.55151%0.514SS*.Hα-helixtrans-64.1-47.1177.5-172.4177.8177.500111.8R299 E300 R305 A306 Q307R299-E303 WeakPolarHBondContact O-CB 3.27Å; R299-E303 PolarHBondContact O-N 2.96Å; E300-E303 PolarHBondContact O-N 3.24Å; E303-R305 VanDerWaalsContact C-N 3.3Å; E303-R305 PolarHBondContact O-N 3.46Å; E303-A306 PolarHBondContact O-N 2.93Å; E303-Q307 WeakPolarHBondContact O-CG 3.39Å; E303-Q307 PolarHBondContact O-N 3.34Å
304M94.8Very high95.2Very high117 Ų117104.3 Ų104.358%0.57652%0.519SS*.Hα-helixtrans-58.4-42.8175-75.1-169.8-68.600111.8E300 Q307 V308E300-M304 WeakPolarHBondContact O-CG 3.4Å; E300-M304 PolarHBondContact O-N 2.98Å; M304-Q307 PolarHBondContact O-N 3.31Å; M304-V308 WeakPolarHBondContact O-CG2 3.37Å; M304-V308 PolarHBondContact O-N 3.44Å
305R94.4Very high95Very high178 Ų178107.9 Ų107.967%0.67252%0.524SS*.Hα-helixtrans-62-46177-169.5-177.6-57.2-150.10.7111.5A301 V302 E303 Q307 V308 E309A301-R305 WeakPolarHBondContact O-CB 3.32Å; A301-R305 PolarHBondContact O-N 3.36Å; V302-R305 PolarHBondContact O-N 3.08Å; E303-R305 VanDerWaalsContact C-N 3.3Å; E303-R305 PolarHBondContact O-N 3.46Å; R305-Q307 VanDerWaalsContact C-N 3.31Å; R305-Q307 PolarHBondContact O-N 2.96Å; R305-V308 PolarHBondContact O-N 3.39Å; R305-E309 HydrophobicContact CG-CG 4.45Å; R305-E309 WeakPolarHBondContact O-CB 3.39Å; R305-E309 VanDerWaalsContact O-CG 3.31Å; R305-E309 WeakPolarHBondContact O-CG 3.48Å; R305-E309 PolarHBondContact O-N 3.38Å
306A96Very high94.7Very high59 Ų59110.4 Ų110.449%0.48853%0.533SS..Hα-helixtrans-61.4-37.8177.700000112.4V302 E303 R310V302-A306 WeakPolarHBondContact O-CB 3.44Å; V302-A306 PolarHBondContact O-N 3.33Å; E303-A306 PolarHBondContact O-N 2.93Å; A306-R310 VanDerWaalsContact O-CB 3.31Å; A306-R310 WeakPolarHBondContact O-CB 3.42Å; A306-R310 PolarHBondContact O-N 3.04Å
307Q95.5Very high94.5Very high105 Ų105112.1 Ų112.149%0.49154%0.543SS..Hα-helixtrans-67.1-39.9175.2-69.8179.914.100112.6E303 M304 R305 R310 K311E303-Q307 WeakPolarHBondContact O-CG 3.39Å; E303-Q307 PolarHBondContact O-N 3.34Å; M304-Q307 PolarHBondContact O-N 3.31Å; R305-Q307 VanDerWaalsContact C-N 3.31Å; R305-Q307 PolarHBondContact O-N 2.96Å; Q307-R310 PolarHBondContact O-N 3.04Å; Q307-K311 PolarHBondContact O-N 3.02Å
308V95.2Very high94.1Very high90 Ų90112.5 Ų112.555%0.54555%0.547SS..Hα-helixtrans-67.2-48.6177172.80000111.1M304 R305 R310 K311 M312M304-V308 WeakPolarHBondContact O-CG2 3.37Å; M304-V308 PolarHBondContact O-N 3.44Å; R305-V308 PolarHBondContact O-N 3.39Å; V308-R310 VanDerWaalsContact C-N 3.27Å; V308-R310 PolarHBondContact O-N 3.11Å; V308-K311 PolarHBondContact O-N 3.01Å; V308-K311 VanDerWaalsContact O-N 3.1Å; V308-M312 HydrophobicContact CG1-CG 4.36Å; V308-M312 WeakPolarHBondContact O-CG 3.38Å; V308-M312 PolarHBondContact O-N 3.23Å
309E93.5Very high93.8Very high133 Ų133117.1 Ų117.162%0.62156%0.557SS**Hα-helixtrans-52.9-46.1174.2-75-82.6149.500110.9R305 K311 M312 A313R305-E309 HydrophobicContact CG-CG 4.45Å; R305-E309 WeakPolarHBondContact O-CB 3.39Å; R305-E309 VanDerWaalsContact O-CG 3.31Å; R305-E309 WeakPolarHBondContact O-CG 3.48Å; R305-E309 PolarHBondContact O-N 3.38Å; E309-K311 PolarHBondContact O-N 3.43Å; E309-M312 PolarHBondContact O-N 3.04Å; E309-A313 WeakPolarHBondContact O-CB 3.31Å; E309-A313 PolarHBondContact O-N 3.29Å
310R93.5Very high93.4Very high182 Ų182114.8 Ų114.869%0.68755%0.553SS**Hα-helixtrans-63.1-40.9177.3-169.1175.6-176.3164.41.7112.9A306 Q307 V308 Q314A306-R310 VanDerWaalsContact O-CB 3.31Å; A306-R310 WeakPolarHBondContact O-CB 3.42Å; A306-R310 PolarHBondContact O-N 3.04Å; Q307-R310 PolarHBondContact O-N 3.04Å; V308-R310 VanDerWaalsContact C-N 3.27Å; V308-R310 PolarHBondContact O-N 3.11Å; R310-Q314 WeakPolarHBondContact O-CB 3.31Å; R310-Q314 WeakPolarHBondContact O-CG 3.45Å; R310-Q314 PolarHBondContact O-N 3.36Å
311K94.7Very high93Very high139 Ų139117.6 Ų117.660%0.60457%0.566SS**Hα-helixtrans-66.6-39.9175.7-80-176.3178.7177.50112.2Q307 V308 E309 Q314 K315Q307-K311 PolarHBondContact O-N 3.02Å; V308-K311 PolarHBondContact O-N 3.01Å; V308-K311 VanDerWaalsContact O-N 3.1Å; E309-K311 PolarHBondContact O-N 3.43Å; K311-Q314 PolarHBondContact O-N 3.07Å; K311-K315 PolarHBondContact O-N 2.95Å
312M91Very high92.6Very high118 Ų118121 Ų12158%0.58157%0.574SS**Hα-helixtrans-65.8-44.9176.8-68.7-58.9-70.200110.9V308 E309 Q314 K315 E316V308-M312 HydrophobicContact CG1-CG 4.36Å; V308-M312 WeakPolarHBondContact O-CG 3.38Å; V308-M312 PolarHBondContact O-N 3.23Å; E309-M312 PolarHBondContact O-N 3.04Å; M312-Q314 VanDerWaalsContact C-N 3.31Å; M312-Q314 PolarHBondContact O-N 3.48Å; M312-K315 PolarHBondContact O-N 3.41Å; M312-E316 WeakPolarHBondContact O-CB 3.49Å; M312-E316 PolarHBondContact O-N 3.19Å
313A93.5Very high92.3Very high46 Ų46122.8 Ų122.838%0.3857%0.574SS.*Hα-helixtrans-61.6-36.8174.800000112.6E309 K317E309-A313 WeakPolarHBondContact O-CB 3.31Å; E309-A313 PolarHBondContact O-N 3.29Å; A313-K317 WeakPolarHBondContact O-CB 3.49Å; A313-K317 WeakPolarHBondContact O-CG 3.37Å; A313-K317 PolarHBondContact O-N 3.4Å
314Q91.7Very high91.8Very high112 Ų112122.3 Ų122.352%0.52357%0.574SS.*Hα-helixtrans-65.5-47.2173.7-80.8177.5-23.700112.3R310 K311 M312 E316 K317 E318R310-Q314 WeakPolarHBondContact O-CB 3.31Å; R310-Q314 WeakPolarHBondContact O-CG 3.45Å; R310-Q314 PolarHBondContact O-N 3.36Å; K311-Q314 PolarHBondContact O-N 3.07Å; M312-Q314 VanDerWaalsContact C-N 3.31Å; M312-Q314 PolarHBondContact O-N 3.48Å; Q314-E316 VanDerWaalsContact C-N 3.29Å; Q314-E316 PolarHBondContact O-N 3.09Å; Q314-K317 PolarHBondContact O-N 3.5Å; Q314-E318 WeakPolarHBondContact O-CB 3.41Å; Q314-E318 PolarHBondContact O-N 3.1Å
315K93.4Very high91.4Very high131 Ų131125.3 Ų125.357%0.5758%0.58SS**Hα-helixtrans-62.8-36.3176.2-75-175.4176.5-174.50112.5K311 M312 K319K311-K315 PolarHBondContact O-N 2.95Å; M312-K315 PolarHBondContact O-N 3.41Å; K315-K319 WeakPolarHBondContact O-CB 3.41Å; K315-K319 WeakPolarHBondContact O-CG 3.14Å; K315-K319 PolarHBondContact O-N 3.46Å
316E90.4Very high91Very high131 Ų131122.4 Ų122.461%0.61257%0.574SS**Hα-helixtrans-67.4-42176-170173-170.100111.4M312 Q314 K319 H320M312-E316 WeakPolarHBondContact O-CB 3.49Å; M312-E316 PolarHBondContact O-N 3.19Å; Q314-E316 VanDerWaalsContact C-N 3.29Å; Q314-E316 PolarHBondContact O-N 3.09Å; E316-K319 PolarHBondContact O-N 3.5Å; E316-H320 WeakPolarHBondContact O-CB 3.37Å; E316-H320 PolarHBondContact O-N 3.02Å
317K92.4Very high90.3Very high148 Ų148125.4 Ų125.464%0.64358%0.579SS**Hα-helixtrans-60.5-46.1171.8-77.9-172.6177.3-167.80112.4A313 Q314 H320 E321A313-K317 WeakPolarHBondContact O-CB 3.49Å; A313-K317 WeakPolarHBondContact O-CG 3.37Å; A313-K317 PolarHBondContact O-N 3.4Å; Q314-K317 PolarHBondContact O-N 3.5Å; K317-H320 CarbonylContact O-C 3.57Å; K317-H320 WeakPolarHBondContact O-CA 3.48Å; K317-H320 VanDerWaalsContact O-CB 3.32Å; K317-H320 WeakPolarHBondContact O-CB 3.36Å; K317-H320 PolarHBondContact O-N 3.03Å; K317-H320 VanDerWaalsContact O-N 3.1Å; K317-E321 WeakPolarHBondContact O-CG 3.49Å; K317-E321 PolarHBondContact O-N 3.35Å
318E88.9Confident89.7Confident116 Ų116122.7 Ų122.754%0.54258%0.575SS.*Hα-helixtrans-61.6-45.3178.1-173176.9-162.300111.7Q314 H320 E321 E322Q314-E318 WeakPolarHBondContact O-CB 3.41Å; Q314-E318 PolarHBondContact O-N 3.1Å; E318-H320 VanDerWaalsContact C-N 3.27Å; E318-H320 PolarHBondContact O-N 3.22Å; E318-E321 PolarHBondContact O-N 2.98Å; E318-E321 VanDerWaalsContact O-N 3.15Å; E318-E322 PolarHBondContact O-N 2.91Å
319K90.1Very high89.1Confident151 Ų151122.9 Ų122.966%0.65757%0.57SS**Hα-helixtrans-59.3-38.2172-76.8179.3178.7-175.90112.4K315 E316 K323K315-K319 WeakPolarHBondContact O-CB 3.41Å; K315-K319 WeakPolarHBondContact O-CG 3.14Å; K315-K319 PolarHBondContact O-N 3.46Å; E316-K319 PolarHBondContact O-N 3.5Å; K319-K323 VanDerWaalsContact O-CB 3.22Å; K319-K323 WeakPolarHBondContact O-CB 3.5Å; K319-K323 PolarHBondContact O-N 3.33Å
320H88.7Confident88.4Confident117 Ų117122.2 Ų122.254%0.54257%0.565SS.*Hα-helixtrans-65.1-42.3176.2-123.3-75.1000111.3E316 K317 E318 K323 L324E316-H320 WeakPolarHBondContact O-CB 3.37Å; E316-H320 PolarHBondContact O-N 3.02Å; K317-H320 CarbonylContact O-C 3.57Å; K317-H320 WeakPolarHBondContact O-CA 3.48Å; K317-H320 VanDerWaalsContact O-CB 3.32Å; K317-H320 WeakPolarHBondContact O-CB 3.36Å; K317-H320 PolarHBondContact O-N 3.03Å; K317-H320 VanDerWaalsContact O-N 3.1Å; E318-H320 VanDerWaalsContact C-N 3.27Å; E318-H320 PolarHBondContact O-N 3.22Å; H320-K323 PolarHBondContact O-N 2.93Å; H320-L324 WeakPolarHBondContact O-CB 3.5Å; H320-L324 WeakPolarHBondContact O-CD1 3.32Å; H320-L324 WeakPolarHBondContact O-CG 3.33Å; H320-L324 PolarHBondContact O-N 2.89Å
321E88.2Confident87.6Confident135 Ų135115.8 Ų115.863%0.63155%0.55SS**Hα-helixtrans-65.7-43.9176.2-74.3176.7-167.700112.4K317 E318 L324 R325K317-E321 WeakPolarHBondContact O-CG 3.49Å; K317-E321 PolarHBondContact O-N 3.35Å; E318-E321 PolarHBondContact O-N 2.98Å; E318-E321 VanDerWaalsContact O-N 3.15Å; E321-L324 WeakPolarHBondContact O-CB 3.46Å; E321-L324 PolarHBondContact O-N 3.39Å; E321-R325 WeakPolarHBondContact O-CB 3.44Å; E321-R325 PolarHBondContact O-N 3.39Å
322E87.4Confident86.7Confident115 Ų115118.2 Ų118.254%0.53756%0.556SS.*Hα-helixtrans-61.9-45173.4-77-170.7148.600111.7E318 L324 R325 E326E318-E322 PolarHBondContact O-N 2.91Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 3.26Å; E322-R325 CarbonylContact O-C 3.57Å; E322-R325 WeakPolarHBondContact O-CA 3.35Å; E322-R325 WeakPolarHBondContact O-CB 3.32Å; E322-R325 PolarHBondContact O-N 2.98Å; E322-R325 VanDerWaalsContact O-N 3.1Å; E322-E326 PolarHBondContact O-N 3.25Å
323K88.7Confident85.7Confident138 Ų138117.6 Ų117.660%0.655%0.552SS**Hα-helixtrans-62.5-39.4177.1-173.6168.4-176.3172.50111.9K319 H320 M327K319-K323 VanDerWaalsContact O-CB 3.22Å; K319-K323 WeakPolarHBondContact O-CB 3.5Å; K319-K323 PolarHBondContact O-N 3.33Å; H320-K323 PolarHBondContact O-N 2.93Å; K323-M327 WeakPolarHBondContact O-CB 3.35Å; K323-M327 PolarHBondContact O-N 3.31Å
324L86.4Confident84.4Confident107 Ų107125.9 Ų125.956%0.5657%0.573SS**Hα-helixtrans-64-41.6172.5-82.7156.5000111.3H320 E321 E322 M327 A328H320-L324 WeakPolarHBondContact O-CB 3.5Å; H320-L324 WeakPolarHBondContact O-CD1 3.32Å; H320-L324 WeakPolarHBondContact O-CG 3.33Å; H320-L324 PolarHBondContact O-N 2.89Å; E321-L324 WeakPolarHBondContact O-CB 3.46Å; E321-L324 PolarHBondContact O-N 3.39Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 3.26Å; L324-M327 PolarHBondContact O-N 3.01Å; L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 2.88Å
325R86.5Confident83Confident181 Ų181131.4 Ų131.468%0.68359%0.589SS**Hα-helixtrans-64.7-45.8176.8179.3-176145.1175.7-6.8112.1E321 E322 M327 A328 Q329E321-R325 WeakPolarHBondContact O-CB 3.44Å; E321-R325 PolarHBondContact O-N 3.39Å; E322-R325 CarbonylContact O-C 3.57Å; E322-R325 WeakPolarHBondContact O-CA 3.35Å; E322-R325 WeakPolarHBondContact O-CB 3.32Å; E322-R325 PolarHBondContact O-N 2.98Å; E322-R325 VanDerWaalsContact O-N 3.1Å; R325-M327 VanDerWaalsContact C-N 3.33Å; R325-M327 PolarHBondContact O-N 2.97Å; R325-A328 PolarHBondContact O-N 3.46Å; R325-Q329 WeakPolarHBondContact O-CB 3.46Å; R325-Q329 PolarHBondContact O-N 2.9Å
326E84.6Confident81.4Confident117 Ų117128.2 Ų128.255%0.54759%0.587SS.*Hα-helixtrans-61.3-42.5174.6-77.1-169.7174.100111.6E322 A328 Q329 K330E322-E326 PolarHBondContact O-N 3.25Å; E326-A328 VanDerWaalsContact C-N 3.32Å; E326-A328 PolarHBondContact O-N 2.94Å; E326-Q329 PolarHBondContact O-N 3.07Å; E326-K330 WeakPolarHBondContact O-CB 3.4Å; E326-K330 WeakPolarHBondContact O-CG 3.22Å; E326-K330 PolarHBondContact O-N 2.85Å
327M82.1Confident79.5Confident121 Ų121125 Ų12560%0.59659%0.59SS**Hα-helixtrans-64.1-40.3177.4-166.3179.7-65.200111.1K323 L324 R325 A331K323-M327 WeakPolarHBondContact O-CB 3.35Å; K323-M327 PolarHBondContact O-N 3.31Å; L324-M327 PolarHBondContact O-N 3.01Å; R325-M327 VanDerWaalsContact C-N 3.33Å; R325-M327 PolarHBondContact O-N 2.97Å; M327-A331 VanDerWaalsContact O-CB 3.31Å; M327-A331 WeakPolarHBondContact O-CB 3.35Å; M327-A331 PolarHBondContact O-N 3.41Å
328A83.5Confident77.3Confident49 Ų49124.3 Ų124.341%0.40559%0.591SS.*Hα-helixtrans-65.6-39173.800000112.2L324 R325 E326 A331 R332L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 2.88Å; R325-A328 PolarHBondContact O-N 3.46Å; E326-A328 VanDerWaalsContact C-N 3.32Å; E326-A328 PolarHBondContact O-N 2.94Å; A328-A331 PolarHBondContact O-N 3.46Å; A328-R332 WeakPolarHBondContact O-CB 3.33Å; A328-R332 WeakPolarHBondContact O-CG 3.44Å; A328-R332 PolarHBondContact O-N 3.37Å
329Q81.6Confident75.1Confident94 Ų94128.6 Ų128.644%0.43961%0.608SS.*Hα-helixtrans-68.3-46176.7-172.7170.2-14.100111.5R325 E326 A331 R332 E333R325-Q329 WeakPolarHBondContact O-CB 3.46Å; R325-Q329 PolarHBondContact O-N 2.9Å; E326-Q329 PolarHBondContact O-N 3.07Å; Q329-A331 VanDerWaalsContact C-N 3.27Å; Q329-A331 PolarHBondContact O-N 2.84Å; Q329-R332 CarbonylContact O-C 3.53Å; Q329-R332 WeakPolarHBondContact O-CA 3.33Å; Q329-R332 WeakPolarHBondContact O-CB 3.33Å; Q329-R332 PolarHBondContact O-N 3.08Å; Q329-E333 PolarHBondContact NE2-OE1 2.73Å; Q329-E333 VanDerWaalsContact NE2-OE1 3.16Å; Q329-E333 PolarHBondContact O-N 3.24Å
330K78.6Confident72.9Confident119 Ų119127.4 Ų127.452%0.51761%0.614SS.*Hα-helixtrans-57.5-39.8171.7-77.6175.9177.6166.40111.6E326 R334E326-K330 WeakPolarHBondContact O-CB 3.4Å; E326-K330 WeakPolarHBondContact O-CG 3.22Å; E326-K330 PolarHBondContact O-N 2.85Å; K330-R334 WeakPolarHBondContact O-CB 3.43Å; K330-R334 VanDerWaalsContact O-CG 3.22Å; K330-R334 WeakPolarHBondContact O-CG 3.49Å; K330-R334 PolarHBondContact O-N 3.35Å
331A78.4Confident70.5Confident47 Ų47129.3 Ų129.339%0.38862%0.622SS.*Hα-helixtrans-67.6-35.9174.800000112.6M327 A328 Q329 R335M327-A331 VanDerWaalsContact O-CB 3.31Å; M327-A331 WeakPolarHBondContact O-CB 3.35Å; M327-A331 PolarHBondContact O-N 3.41Å; A328-A331 PolarHBondContact O-N 3.46Å; Q329-A331 VanDerWaalsContact C-N 3.27Å; Q329-A331 PolarHBondContact O-N 2.84Å; A331-R335 WeakPolarHBondContact O-CG 3.46Å; A331-R335 PolarHBondContact O-N 2.83Å
332R75.4Confident68.2Low189 Ų189129 Ų12971%0.71363%0.63SS**Hα-helixtrans-70.5-44.4174.7-77.3178.7-177.5-169.81.1112.4A328 Q329 R334 R335 A336A328-R332 WeakPolarHBondContact O-CB 3.33Å; A328-R332 WeakPolarHBondContact O-CG 3.44Å; A328-R332 PolarHBondContact O-N 3.37Å; Q329-R332 CarbonylContact O-C 3.53Å; Q329-R332 WeakPolarHBondContact O-CA 3.33Å; Q329-R332 WeakPolarHBondContact O-CB 3.33Å; Q329-R332 PolarHBondContact O-N 3.08Å; R332-R334 VanDerWaalsContact C-N 3.33Å; R332-R334 PolarHBondContact O-N 3.1Å; R332-R335 CarbonylContact O-C 3.56Å; R332-R335 WeakPolarHBondContact O-CA 3.47Å; R332-R335 WeakPolarHBondContact O-CB 3.46Å; R332-R335 PolarHBondContact O-N 3.34Å; R332-A336 WeakPolarHBondContact O-CB 3.45Å; R332-A336 PolarHBondContact O-N 3.15Å
333E69.6Low66Low106 Ų106130.8 Ų130.850%0.49564%0.638SS.*Hα-helixtrans-62.1-41.4176.6-76.5170.3-171.200111.2Q329 R335 A336 G337Q329-E333 PolarHBondContact NE2-OE1 2.73Å; Q329-E333 VanDerWaalsContact NE2-OE1 3.16Å; Q329-E333 PolarHBondContact O-N 3.24Å; E333-R335 VanDerWaalsContact C-N 3.27Å; E333-R335 PolarHBondContact O-N 2.88Å; E333-A336 PolarHBondContact O-N 2.91Å; E333-G337 PolarHBondContact O-N 3.46Å
334R65.2Low63.6Low219 Ų219133.5 Ų133.583%0.82665%0.65SS**Hα-helixtrans-60.7-33.1171.3-74.8176.2179.7-180-1.7113K330 R332K330-R334 WeakPolarHBondContact O-CB 3.43Å; K330-R334 VanDerWaalsContact O-CG 3.22Å; K330-R334 WeakPolarHBondContact O-CG 3.49Å; K330-R334 PolarHBondContact O-N 3.35Å; R332-R334 VanDerWaalsContact C-N 3.33Å; R332-R334 PolarHBondContact O-N 3.1Å
335R63.5Low61.4Low228 Ų228136.7 Ų136.786%0.8666%0.662SS**Hα-helixtrans-79.7-32.9174.8-75.7-179.3-173.1-1752.4113.4A331 R332 E333 G337A331-R335 WeakPolarHBondContact O-CG 3.46Å; A331-R335 PolarHBondContact O-N 2.83Å; R332-R335 CarbonylContact O-C 3.56Å; R332-R335 WeakPolarHBondContact O-CA 3.47Å; R332-R335 WeakPolarHBondContact O-CB 3.46Å; R332-R335 PolarHBondContact O-N 3.34Å; E333-R335 VanDerWaalsContact C-N 3.27Å; E333-R335 PolarHBondContact O-N 2.88Å; R335-G337 VanDerWaalsContact C-N 3.28Å; R335-G337 PolarHBondContact O-N 3.41Å
336A59.8Low59.7Low64 Ų64135.6 Ų135.653%0.52967%0.669SS.*Hα-helixtrans-79-7.3-176.100000113.7R332 E333 I338R332-A336 WeakPolarHBondContact O-CB 3.45Å; R332-A336 PolarHBondContact O-N 3.15Å; E333-A336 PolarHBondContact O-N 2.91Å; A336-I338 HydrophobicContact CB-CD1 4.44Å; A336-I338 HydrophobicContact CB-CG1 4.5Å; A336-I338 PolarHBondContact O-N 2.95Å
337G50.3Low58.3Low65 Ų65131.7 Ų131.767%0.6766%0.661SS**THydrogen-bonded Turntrans68.216.1170.600000115.3E333 R335 K339E333-G337 PolarHBondContact O-N 3.46Å; R335-G337 VanDerWaalsContact C-N 3.28Å; R335-G337 PolarHBondContact O-N 3.41Å; G337-K339 PolarHBondContact O-N 3.48Å
338I46Very low56.9Low132 Ų132131.3 Ų131.368%0.67766%0.658SS**  trans-87.195.7-177.9-59.7172.1000109.3A336 T340A336-I338 HydrophobicContact CB-CD1 4.44Å; A336-I338 HydrophobicContact CB-CG1 4.5Å; A336-I338 PolarHBondContact O-N 2.95Å; I338-T340 HydrophobicContact CG2-CG2 4.14Å; I338-T340 PolarHBondContact O-N 2.98Å
339K42.3Very low56Low207 Ų207132.3 Ų132.390%0.967%0.666SS**  trans-76.5100.8165.4-101.7176.8167.8-175.70109.1G337G337-K339 PolarHBondContact O-N 3.48Å
340T44.6Very low55.1Low126 Ų126137 Ų13777%0.77368%0.679SS**  trans-90.7106.4159.3510000109I338 V342I338-T340 HydrophobicContact CG2-CG2 4.14Å; I338-T340 PolarHBondContact O-N 2.98Å; T340-V342 PolarHBondContact O-N 3.1Å
341H37.5Very low54.3Low156 Ų156137.1 Ų137.172%0.72268%0.682SS**  trans-75.2105.6177.2175.9-68.3000110.5
342V41.3Very low53.6Low130 Ų130141.9 Ų141.979%0.78869%0.69SS**  trans-14497.1157.2-173.20000109.3T340T340-V342 PolarHBondContact O-N 3.1Å
343E39.8Very low53.4Low152 Ų152137.1 Ų137.171%0.7168%0.679SS**  trans13.7105.7144.5-64.1172.7177.200118.3
344K39.4Very low53.5Low195 Ų195137.8 Ų137.885%0.84868%0.682SS**  trans-138.5105.4135.7-91.2-171.3-179.9176.40108.8D346K344-D346 VanDerWaalsContact C-N 3.32Å; K344-D346 PolarHBondContact O-N 2.97Å
345E40.3Very low53.6Low174 Ų174131.5 Ų131.581%0.81366%0.664SS**THydrogen-bonded Turntrans-79.125.8-151.4-144.1175.9176.400116.7
346D49.5Very low54.2Low157 Ų157127.5 Ų127.584%0.8465%0.648SS**THydrogen-bonded Turntrans-137.92.3-177.9-83.2-41.6000114.9K344K344-D346 VanDerWaalsContact C-N 3.32Å; K344-D346 PolarHBondContact O-N 2.97Å
347G54.7Low55.1Low36 Ų36129.4 Ų129.437%0.37165%0.646SS.*SBendtrans-97-19.4176.900000114.6A349 R350 E351G347-A349 VanDerWaalsContact C-N 3.33Å; G347-A349 PolarHBondContact O-N 3.28Å; G347-R350 PolarHBondContact O-N 2.83Å; G347-R350 VanDerWaalsContact O-N 3.17Å; G347-E351 PolarHBondContact O-N 3.39Å
348E54.5Low56.3Low113 Ų113130.9 Ų130.953%0.52864%0.639SS.*Hα-helixtrans-69.6-26.4-167.7-65.2-167.2167.300113.9R352E348-R352 WeakPolarHBondContact O-CB 3.29Å; E348-R352 PolarHBondContact O-N 3.49Å
349A62.9Low57.6Low70 Ų70131.6 Ų131.658%0.57963%0.633SS**Hα-helixtrans-70.3-38.7174.800000111.7G347 R352 D353G347-A349 VanDerWaalsContact C-N 3.33Å; G347-A349 PolarHBondContact O-N 3.28Å; A349-R352 PolarHBondContact O-N 3.41Å; A349-D353 PolarHBondContact O-N 3.16Å; A349-D353 VanDerWaalsContact O-N 3.15Å
350R63.9Low59.4Low191 Ų191130.2 Ų130.272%0.72162%0.622SS**Hα-helixtrans-71.1-42.8176.5-75.1-177.5179.5142.30.9111.5G347 R352 D353 E354G347-R350 PolarHBondContact O-N 2.83Å; G347-R350 VanDerWaalsContact O-N 3.17Å; R350-R352 VanDerWaalsContact C-N 3.29Å; R350-R352 PolarHBondContact O-N 3.1Å; R350-D353 PolarHBondContact O-N 2.88Å; R350-E354 WeakPolarHBondContact O-CB 3.44Å; R350-E354 WeakPolarHBondContact O-CG 3.47Å; R350-E354 PolarHBondContact O-N 2.96Å
351E60.6Low61Low122 Ų122130.3 Ų130.357%0.5761%0.612SS**Hα-helixtrans-61.9-36.4173.7-78.2-169.9151.700111.9G347 I355G347-E351 PolarHBondContact O-N 3.39Å; E351-I355 VanDerWaalsContact O-CB 3.27Å; E351-I355 WeakPolarHBondContact O-CB 3.48Å; E351-I355 VanDerWaalsContact O-CD1 3.32Å; E351-I355 WeakPolarHBondContact O-CD1 3.31Å; E351-I355 WeakPolarHBondContact O-CG1 3.49Å; E351-I355 PolarHBondContact O-N 3.25Å
352R65Low62.6Low148 Ų148129.3 Ų129.356%0.55861%0.607SS**Hα-helixtrans-68.7-33.8177.3-136.7177.8-68.7168.6-3.7112.9E348 A349 R350 R356E348-R352 WeakPolarHBondContact O-CB 3.29Å; E348-R352 PolarHBondContact O-N 3.49Å; A349-R352 PolarHBondContact O-N 3.41Å; R350-R352 VanDerWaalsContact C-N 3.29Å; R350-R352 PolarHBondContact O-N 3.1Å; R352-R356 WeakPolarHBondContact O-CB 3.37Å; R352-R356 PolarHBondContact O-N 2.87Å; R352-R356 VanDerWaalsContact O-N 3.15Å
353D69.9Low64.1Low88 Ų88130.3 Ų130.347%0.47160%0.597SS.*Hα-helixtrans-77-39.4175.8-81-3.9000111.8A349 R350 R356 H357A349-D353 PolarHBondContact O-N 3.16Å; A349-D353 VanDerWaalsContact O-N 3.15Å; R350-D353 PolarHBondContact O-N 2.88Å; D353-R356 PolarHBondContact O-N 3.38Å; D353-R356 IonicContact OD1-CZ 3.82Å; D353-R356 IonicContact OD1-NH1 3.6Å; D353-R356 PolarHBondContact OD1-NH1 3.01Å; D353-R356 IonicContact OD1-NH2 2.68Å; D353-R356 PolarHBondContact OD1-NH2 3.34Å; D353-H357 WeakPolarHBondContact O-CB 3.46Å; D353-H357 PolarHBondContact O-N 2.8Å
354E72.8Confident65.8Low120 Ų120128.6 Ų128.656%0.56159%0.589SS**Hα-helixtrans-62.4-44.9171.6-76177.9178.500111.2R350 R356 H357 D358R350-E354 WeakPolarHBondContact O-CB 3.44Å; R350-E354 WeakPolarHBondContact O-CG 3.47Å; R350-E354 PolarHBondContact O-N 2.96Å; E354-R356 VanDerWaalsContact C-N 3.29Å; E354-R356 PolarHBondContact O-N 3.49Å; E354-H357 PolarHBondContact O-N 3.29Å; E354-H357 VanDerWaalsContact O-N 3.16Å; E354-D358 WeakPolarHBondContact O-CB 3.37Å; E354-D358 PolarHBondContact O-N 2.79Å
355I67.8Low67.3Low87 Ų87125.2 Ų125.245%0.44658%0.576SS.*Hα-helixtrans-62.3-36.6174.4-71164.4000111.2E351 R359E351-I355 VanDerWaalsContact O-CB 3.27Å; E351-I355 WeakPolarHBondContact O-CB 3.48Å; E351-I355 VanDerWaalsContact O-CD1 3.32Å; E351-I355 WeakPolarHBondContact O-CD1 3.31Å; E351-I355 WeakPolarHBondContact O-CG1 3.49Å; E351-I355 PolarHBondContact O-N 3.25Å; I355-R359 VanDerWaalsContact CG2-NH2 3.33Å; I355-R359 WeakPolarHBondContact O-CB 3.22Å; I355-R359 PolarHBondContact O-N 3.26Å
356R75.9Confident68.5Low144 Ų144120.4 Ų120.454%0.54356%0.556SS.*Hα-helixtrans-69.5-38.9175.3-104.7-176.5-86.3118.39.7111.6R352 D353 E354 R360R352-R356 WeakPolarHBondContact O-CB 3.37Å; R352-R356 PolarHBondContact O-N 2.87Å; R352-R356 VanDerWaalsContact O-N 3.15Å; D353-R356 PolarHBondContact O-N 3.38Å; D353-R356 IonicContact OD1-CZ 3.82Å; D353-R356 IonicContact OD1-NH1 3.6Å; D353-R356 PolarHBondContact OD1-NH1 3.01Å; D353-R356 IonicContact OD1-NH2 2.68Å; D353-R356 PolarHBondContact OD1-NH2 3.34Å; E354-R356 VanDerWaalsContact C-N 3.29Å; E354-R356 PolarHBondContact O-N 3.49Å; R356-R360 WeakPolarHBondContact O-CB 3Å; R356-R360 PolarHBondContact O-N 2.93Å
357H77.5Confident69.5Low104 Ų104120.6 Ų120.648%0.48155%0.545SS..Hα-helixtrans-69.2-44.2177.8-171.1-68.9000111.7D353 E354 R360 K361D353-H357 WeakPolarHBondContact O-CB 3.46Å; D353-H357 PolarHBondContact O-N 2.8Å; E354-H357 PolarHBondContact O-N 3.29Å; E354-H357 VanDerWaalsContact O-N 3.16Å; H357-R360 WeakPolarHBondContact O-CB 3.3Å; H357-R360 PolarHBondContact O-N 3.24Å; H357-R360 VanDerWaalsContact O-N 3.12Å; H357-K361 PolarHBondContact O-N 3.27Å
358D75.3Confident70.3Confident97 Ų97124 Ų12452%0.51955%0.554SS.*Hα-helixtrans-66.8-42.8177.7-77.8-10.8000111.6E354 R360 K361 E362E354-D358 WeakPolarHBondContact O-CB 3.37Å; E354-D358 PolarHBondContact O-N 2.79Å; D358-R360 PolarHBondContact O-N 3.04Å; D358-K361 PolarHBondContact O-N 3.33Å; D358-E362 VanDerWaalsContact O-CB 3.28Å; D358-E362 WeakPolarHBondContact O-CB 3.25Å; D358-E362 PolarHBondContact O-N 3.07Å
359R74.6Confident70.6Confident147 Ų147122.9 Ų122.956%0.55555%0.552SS**Hα-helixtrans-63.9-23172.2-118.5-175.5-70.6-173.6-6.7113.3I355 R363I355-R359 VanDerWaalsContact CG2-NH2 3.33Å; I355-R359 WeakPolarHBondContact O-CB 3.22Å; I355-R359 PolarHBondContact O-N 3.26Å; R359-R363 WeakPolarHBondContact O-CB 3.34Å; R359-R363 WeakPolarHBondContact O-CG 3.36Å; R359-R363 PolarHBondContact O-N 3.48Å; R359-R363 PolarHBondContact O-NE 2.82Å
360R79.7Confident70.6Confident178 Ų178122.1 Ų122.167%0.67254%0.542SS*.Hα-helixtrans-78.7-45.7174.2-170.2-179.5-175.7170.61.3110.2R356 H357 D358 R363 Q364R356-R360 WeakPolarHBondContact O-CB 3Å; R356-R360 PolarHBondContact O-N 2.93Å; H357-R360 WeakPolarHBondContact O-CB 3.3Å; H357-R360 PolarHBondContact O-N 3.24Å; H357-R360 VanDerWaalsContact O-N 3.12Å; D358-R360 PolarHBondContact O-N 3.04Å; R360-R363 PolarHBondContact O-N 3.27Å; R360-Q364 WeakPolarHBondContact O-CB 3.31Å; R360-Q364 PolarHBondContact O-N 2.86Å
361K77.8Confident70.5Confident128 Ų128122.9 Ų122.956%0.55755%0.545SS*.Hα-helixtrans-61.8-44.5174.2-99.8-176.6171174.70112.2H357 D358 Q364 H365H357-K361 PolarHBondContact O-N 3.27Å; D358-K361 PolarHBondContact O-N 3.33Å; K361-Q364 CarbonylContact O-C 3.6Å; K361-Q364 WeakPolarHBondContact O-CA 3.45Å; K361-Q364 WeakPolarHBondContact O-CB 3.34Å; K361-Q364 PolarHBondContact O-N 3.24Å; K361-Q364 VanDerWaalsContact O-N 3.11Å; K361-H365 WeakPolarHBondContact O-CB 3.45Å; K361-H365 PolarHBondContact O-N 3.12Å
362E70.3Confident70.6Confident134 Ų134120.9 Ų120.963%0.62655%0.55SS*.Hα-helixtrans-64.6-44.3177.4-171.9178.3-155.500111D358 Q364 H365 D366D358-E362 VanDerWaalsContact O-CB 3.28Å; D358-E362 WeakPolarHBondContact O-CB 3.25Å; D358-E362 PolarHBondContact O-N 3.07Å; E362-Q364 PolarHBondContact O-N 3.44Å; E362-H365 PolarHBondContact O-N 3.09Å; E362-D366 WeakPolarHBondContact O-CB 3.41Å; E362-D366 PolarHBondContact O-N 3.05Å
363R74.7Confident70.4Confident152 Ų152116 Ų11657%0.57454%0.541SS*.Hα-helixtrans-63.6-28.6170.9-86.4-179.2-69.4153.8-3.3113.2R359 R360 R367R359-R363 WeakPolarHBondContact O-CB 3.34Å; R359-R363 WeakPolarHBondContact O-CG 3.36Å; R359-R363 PolarHBondContact O-N 3.48Å; R359-R363 PolarHBondContact O-NE 2.82Å; R360-R363 PolarHBondContact O-N 3.27Å; R363-R367 WeakPolarHBondContact O-CB 3.47Å; R363-R367 PolarHBondContact O-N 3.35Å
364Q74Confident69.9Low116 Ų116116.9 Ų116.954%0.54255%0.551SS.*Hα-helixtrans-73.9-45.8174.8-125.8172.4-12.400111.2R360 K361 E362 R367 N368R360-Q364 WeakPolarHBondContact O-CB 3.31Å; R360-Q364 PolarHBondContact O-N 2.86Å; K361-Q364 CarbonylContact O-C 3.6Å; K361-Q364 WeakPolarHBondContact O-CA 3.45Å; K361-Q364 WeakPolarHBondContact O-CB 3.34Å; K361-Q364 PolarHBondContact O-N 3.24Å; K361-Q364 VanDerWaalsContact O-N 3.11Å; E362-Q364 PolarHBondContact O-N 3.44Å; Q364-R367 PolarHBondContact O-N 3.33Å; Q364-N368 WeakPolarHBondContact O-CB 3.32Å; Q364-N368 VanDerWaalsContact O-CG 3.26Å; Q364-N368 PolarHBondContact O-N 3.26Å
365H71.6Confident69.2Low123 Ų123118.4 Ų118.457%0.56956%0.563SS**Hα-helixtrans-62.3-45.4175.1-177-87.3000110.8K361 E362 N368 L369K361-H365 WeakPolarHBondContact O-CB 3.45Å; K361-H365 PolarHBondContact O-N 3.12Å; E362-H365 PolarHBondContact O-N 3.09Å; H365-N368 PolarHBondContact O-N 3.47Å; H365-L369 VanDerWaalsContact O-CB 3.27Å; H365-L369 WeakPolarHBondContact O-CB 3.32Å; H365-L369 PolarHBondContact O-N 2.79Å
366D66.2Low68.8Low73 Ų73121.8 Ų121.839%0.3958%0.575SS.*Hα-helixtrans-70.7-33.6179.3-158.239.7000111.7E362 L369 S370 R377E362-D366 WeakPolarHBondContact O-CB 3.41Å; E362-D366 PolarHBondContact O-N 3.05Å; D366-L369 PolarHBondContact O-N 3.19Å; D366-S370 WeakPolarHBondContact O-CB 3.45Å; D366-S370 PolarHBondContact O-N 3.37Å; D366-S370 PolarHBondContact O-OG 3.47Å; D366-R377 IonicContact OD1-CZ 3.47Å; D366-R377 IonicContact OD1-NH2 2.68Å; D366-R377 PolarHBondContact OD1-NH2 3.07Å
367R69.7Low67.6Low161 Ų161121 Ų12161%0.60857%0.572SS**Hα-helixtrans-69.2-33.7171-168.3-176.9-65.6-153.3-2.6112.3R363 Q364 R371R363-R367 WeakPolarHBondContact O-CB 3.47Å; R363-R367 PolarHBondContact O-N 3.35Å; Q364-R367 PolarHBondContact O-N 3.33Å; R367-R371 WeakPolarHBondContact O-CB 3.38Å; R367-R371 WeakPolarHBondContact O-CG 3.42Å; R367-R371 PolarHBondContact O-N 3.04Å
368N72.2Confident66.6Low107 Ų107120.3 Ų120.357%0.57258%0.579SS**Hα-helixtrans-72.2-43.3173.2-75.2-4.4000111.4Q364 H365 R371 A372Q364-N368 WeakPolarHBondContact O-CB 3.32Å; Q364-N368 VanDerWaalsContact O-CG 3.26Å; Q364-N368 PolarHBondContact O-N 3.26Å; H365-N368 PolarHBondContact O-N 3.47Å; N368-R371 PolarHBondContact O-N 3.03Å; N368-A372 WeakPolarHBondContact O-CB 3.39Å; N368-A372 PolarHBondContact O-N 3.36Å
369L60.7Low65.7Low91 Ų91124.5 Ų124.548%0.47659%0.592SS.*Hα-helixtrans-69.2-34.2178.5-154.373.7000111.8H365 D366 R371H365-L369 VanDerWaalsContact O-CB 3.27Å; H365-L369 WeakPolarHBondContact O-CB 3.32Å; H365-L369 PolarHBondContact O-N 2.79Å; D366-L369 PolarHBondContact O-N 3.19Å; L369-R371 VanDerWaalsContact C-N 3.35Å
370S61.6Low64.7Low54 Ų54123.8 Ų123.838%0.37860%0.599SS.*Hα-helixtrans-75.3-21.4174.6-55.20000113.3D366 R377D366-S370 WeakPolarHBondContact O-CB 3.45Å; D366-S370 PolarHBondContact O-N 3.37Å; D366-S370 PolarHBondContact O-OG 3.47Å; S370-R377 PolarHBondContact OG-NH1 2.94Å
371R62.3Low63.7Low207 Ų207122.4 Ų122.478%0.78160%0.6SS**Hα-helixtrans-89.3-20.6174.3-84.5-179.6164.5-171.2-6.3113.5R367 N368 L369R367-R371 WeakPolarHBondContact O-CB 3.38Å; R367-R371 WeakPolarHBondContact O-CG 3.42Å; R367-R371 PolarHBondContact O-N 3.04Å; N368-R371 PolarHBondContact O-N 3.03Å; L369-R371 VanDerWaalsContact C-N 3.35Å
372A63.2Low62.8Low80 Ų80125.5 Ų125.566%0.66161%0.608SS**Hα-helixtrans-81.9-24.7-170.500000115.1N368N368-A372 WeakPolarHBondContact O-CB 3.39Å; N368-A372 PolarHBondContact O-N 3.36Å
373A59.7Low62.3Low46 Ų46124 Ų12438%0.3860%0.604SS.*  trans-177.5107.9170.200000111.2D375A373-D375 PolarHBondContact O-N 3.43Å
374P60Low61.7Low106 Ų106124.3 Ų124.369%0.68861%0.612SS**THydrogen-bonded Turntrans-64.9-18.8178.4-17.629.4000114.6
375D59.2Low61.1Low152 Ų152125.4 Ų125.481%0.81362%0.622SS**THydrogen-bonded Turntrans-97.40.4-162.8-61.5-32.1000116A373A373-D375 PolarHBondContact O-N 3.43Å
376K58.3Low60.7Low158 Ų158124.8 Ų124.869%0.68761%0.614SS**SBendtrans-115.62.6-170.8-62-169.1-179.1-176.20115.9
377R51.9Low60.6Low127 Ų127126.4 Ų126.448%0.47962%0.623SS.*THydrogen-bonded Turntrans-77.8-20.6-166.7-109.4177.1157.9173.6-4.5116.8D366 S370D366-R377 IonicContact OD1-CZ 3.47Å; D366-R377 IonicContact OD1-NH2 2.68Å; D366-R377 PolarHBondContact OD1-NH2 3.07Å; S370-R377 PolarHBondContact OG-NH1 2.94Å
378S54.9Low60.3Low89 Ų89125.4 Ų125.462%0.62263%0.629SS**THydrogen-bonded Turntrans-98.9-20.4-167.1-172.60000115.4
379K56.6Low60.3Low186 Ų186124.2 Ų124.281%0.80963%0.629SS**THydrogen-bonded Turntrans-94.1-21.2-176.3-89.2-179.5175.7176.20115.2
380L54.9Low60.6Low132 Ų132124.5 Ų124.569%0.69163%0.628SS**SBendtrans-84.7-35.2-174.3-87152.3000113.6R382L380-R382 VanDerWaalsContact C-N 3.34Å; L380-R382 PolarHBondContact O-N 3.05Å
381Q57.6Low60.8Low148 Ų148124.6 Ų124.669%0.69263%0.626SS**THydrogen-bonded Turntrans-72.8-17.8-179.1-94.7-179-14.100115.1
382R59.4Low60.9Low193 Ų193121 Ų12173%0.72862%0.621SS**THydrogen-bonded Turntrans-86.1-23.3179.1-88.9-174.8-160.7150.37.4114.6L380L380-R382 VanDerWaalsContact C-N 3.34Å; L380-R382 PolarHBondContact O-N 3.05Å
383N59.8Low61.1Low102 Ų102121.5 Ų121.555%0.54562%0.624SS.*THydrogen-bonded Turntrans-89.9-19.6-179.8-78.5-13.9000112.6N385 R386N383-N385 VanDerWaalsContact C-N 3.27Å; N383-N385 PolarHBondContact O-N 3.06Å; N383-R386 PolarHBondContact OD1-NH1 3.45Å
384E62.6Low61.2Low159 Ų159124.3 Ų124.374%0.74363%0.633SS**THydrogen-bonded Turntrans-72.5-20-179.6-160.2173-178.700113.2
385N60Low61.5Low140 Ų140122.3 Ų122.375%0.74963%0.631SS**THydrogen-bonded Turntrans-104.814.6-179.3-65.8-32.2000114.1N383N383-N385 VanDerWaalsContact C-N 3.27Å; N383-N385 PolarHBondContact O-N 3.06Å
386R64.6Low61.7Low109 Ų109118.5 Ų118.541%0.41161%0.613SS.*  trans-89.3122.7175.3-82.9179.7170.4152.2-9.1110.3N383 V391N383-R386 PolarHBondContact OD1-NH1 3.45Å; R386-V391 HydrophobicContact CB-CG2 3.97Å
387D64.2Low61.8Low108 Ų108116.5 Ų116.558%0.57862%0.616SS**  trans-60144174.9-80-28.5000110.9S389 E390 V391D387-S389 PolarHBondContact O-N 3.28Å; D387-S389 VanDerWaalsContact O-N 3.12Å; D387-E390 HydrophobicContact CB-CG 4.3Å; D387-E390 WeakPolarHBondContact O-CA 3.22Å; D387-E390 WeakPolarHBondContact O-CB 3.38Å; D387-E390 PolarHBondContact O-N 2.97Å; D387-V391 PolarHBondContact O-N 2.89Å; D387-V391 VanDerWaalsContact O-N 3.09Å
388I63.2Low62.3Low140 Ų140116.9 Ų116.972%0.71863%0.628SS**Hα-helixtrans-58.5-29.9-175.9-60.5162.7000111.2I392I388-I392 HydrophobicContact CG2-CD1 4.27Å; I388-I392 WeakPolarHBondContact O-CD1 3.27Å; I388-I392 VanDerWaalsContact O-CG1 3.29Å; I388-I392 WeakPolarHBondContact O-CG1 3.09Å; I388-I392 PolarHBondContact O-N 3.05Å
389S71.4Confident62.7Low82 Ų82117.1 Ų117.157%0.57363%0.627SS**Hα-helixtrans-67.7-37172.449.70000113.3D387 I392 A393D387-S389 PolarHBondContact O-N 3.28Å; D387-S389 VanDerWaalsContact O-N 3.12Å; S389-I392 PolarHBondContact O-N 3.27Å; S389-A393 WeakPolarHBondContact O-CB 3.32Å; S389-A393 PolarHBondContact O-N 2.99Å; S389-A393 VanDerWaalsContact O-N 3.07Å
390E68.1Low62.8Low97 Ų97120 Ų12045%0.45363%0.633SS.*Hα-helixtrans-74.1-32.3177.3-64.8-168.1165.700112.1D387 I392 A393 L394D387-E390 HydrophobicContact CB-CG 4.3Å; D387-E390 WeakPolarHBondContact O-CA 3.22Å; D387-E390 WeakPolarHBondContact O-CB 3.38Å; D387-E390 PolarHBondContact O-N 2.97Å; E390-I392 VanDerWaalsContact C-N 3.33Å; E390-A393 PolarHBondContact O-N 3.04Å; E390-L394 VanDerWaalsContact O-CB 3.32Å; E390-L394 WeakPolarHBondContact O-CB 3.36Å; E390-L394 PolarHBondContact O-N 2.76Å
391V64.2Low63.1Low55 Ų55119.2 Ų119.233%0.33363%0.634SS.*Hα-helixtrans-65.8-37.4174177.90000111.3R386 D387R386-V391 HydrophobicContact CB-CG2 3.97Å; D387-V391 PolarHBondContact O-N 2.89Å; D387-V391 VanDerWaalsContact O-N 3.09Å
392I64.5Low63.3Low133 Ų133115.4 Ų115.468%0.68262%0.623SS**Hα-helixtrans-72.5-40.3176.5-65.6166.5000111I388 S389 E390I388-I392 HydrophobicContact CG2-CD1 4.27Å; I388-I392 WeakPolarHBondContact O-CD1 3.27Å; I388-I392 VanDerWaalsContact O-CG1 3.29Å; I388-I392 WeakPolarHBondContact O-CG1 3.09Å; I388-I392 PolarHBondContact O-N 3.05Å; S389-I392 PolarHBondContact O-N 3.27Å; E390-I392 VanDerWaalsContact C-N 3.33Å
393A68.5Low63.5Low89 Ų89114.5 Ų114.574%0.73663%0.633SS**Hα-helixtrans-72.1-25.9-18000000114.1S389 E390S389-A393 WeakPolarHBondContact O-CB 3.32Å; S389-A393 PolarHBondContact O-N 2.99Å; S389-A393 VanDerWaalsContact O-N 3.07Å; E390-A393 PolarHBondContact O-N 3.04Å
394L62.4Low63.6Low106 Ų106117 Ų11756%0.55564%0.641SS**THydrogen-bonded Turntrans-93.63.4-179.9-82.2158.4000114.6E390 V396E390-L394 VanDerWaalsContact O-CB 3.32Å; E390-L394 WeakPolarHBondContact O-CB 3.36Å; E390-L394 PolarHBondContact O-N 2.76Å; L394-V396 HydrophobicContact CB-CG2 3.85Å; L394-V396 PolarHBondContact O-N 2.85Å
395G65.4Low64Low64 Ų64114.9 Ų114.966%0.6664%0.639SS**THydrogen-bonded Turntrans57.824174.600000114.6P397G395-P397 WeakPolarHBondContact O-CD 3.48Å
396V64.5Low64.4Low72 Ų72115.8 Ų115.844%0.43664%0.639SS.*  trans-75.3120.6-175.2-173.50000108.8L394 N398L394-V396 HydrophobicContact CB-CG2 3.85Å; L394-V396 PolarHBondContact O-N 2.85Å; V396-N398 PolarHBondContact O-N 3.31Å; V396-N398 VanDerWaalsContact O-N 3.16Å
397P59.9Low64.8Low115 Ų115117.7 Ų117.775%0.74765%0.647SS**  trans-62.6119.3177.5-16.628.7000109.7G395 P399G395-P397 WeakPolarHBondContact O-CD 3.48Å; P397-P399 WeakPolarHBondContact O-CD 3.46Å
398N62.4Low65.4Low136 Ų136115.6 Ų115.673%0.72764%0.636SS**  trans-78110.3175-174.111.8000109.4V396 R400V396-N398 PolarHBondContact O-N 3.31Å; V396-N398 VanDerWaalsContact O-N 3.16Å; N398-R400 PolarHBondContact O-N 3.03Å
399P62.7Low66.2Low93 Ų93117.2 Ų117.260%0.60464%0.64SS**  trans-69.5115.1172.729.7-31.3000108.1P397 T401P397-P399 WeakPolarHBondContact O-CD 3.46Å; P399-T401 VanDerWaalsContact C-N 3.26Å; P399-T401 PolarHBondContact O-N 3.03Å
400R57.9Low66.7Low248 Ų248122.5 Ų122.594%0.93665%0.648SS**  trans-64.386.6171.7-73.6-178.3167.6-179.7-3.4109.5N398 S402N398-R400 PolarHBondContact O-N 3.03Å; R400-S402 PolarHBondContact O-N 3.16Å
401T63.1Low67Low114 Ų114122.9 Ų122.970%0.69965%0.652SS**  trans-82.7107172.449.30000109.2P399P399-T401 VanDerWaalsContact C-N 3.26Å; P399-T401 PolarHBondContact O-N 3.03Å
402S61.3Low67.5Low68 Ų68126.2 Ų126.248%0.47666%0.663SS.*  trans-77.2124.4169.853.80000109.9R400 E404 Q406R400-S402 PolarHBondContact O-N 3.16Å; S402-E404 PolarHBondContact O-N 2.8Å; S402-Q406 PolarHBondContact OG-NE2 3.45Å
403N64.2Low67.9Low174 Ų174128.1 Ų128.193%0.9367%0.674SS**SBendtrans-83.317.7-175.5-102.3-1000114.6
404E61.3Low68.1Low154 Ų154129.2 Ų129.272%0.7266%0.664SS**SBendtrans-132.2149.4-173.8-156.1167.8-160.400109S402 Q406S402-E404 PolarHBondContact O-N 2.8Å; E404-Q406 PolarHBondContact O-N 3.19Å
405V71.2Confident68.5Low116 Ų116129.1 Ų129.170%0.70367%0.672SS**  trans-52.3112.8177.6176.80000107.6Y407V405-Y407 WeakPolarHBondContact O-CD2 3.45Å; V405-Y407 PolarHBondContact O-N 2.92Å
406Q68.4Low68.5Low159 Ų159133.5 Ų133.574%0.74367%0.673SS**  trans-64.8106.1178.2-74.7177.6-1300108S402 E404S402-Q406 PolarHBondContact OG-NE2 3.45Å; E404-Q406 PolarHBondContact O-N 3.19Å
407Y72.4Confident68.5Low149 Ų149133 Ų13358%0.58468%0.682SS**  trans-69138.7164.7-61-80.8000108.2V405 Q409 F412V405-Y407 WeakPolarHBondContact O-CD2 3.45Å; V405-Y407 PolarHBondContact O-N 2.92Å; Y407-Q409 PolarHBondContact O-N 2.94Å; Y407-F412 HydrophobicContact CD2-CZ 4.26Å; Y407-F412 HydrophobicContact CG-CE2 4.48Å; Y407-F412 HydrophobicContact CG-CZ 4.38Å
408D75.9Confident68.7Low64 Ų64136.2 Ų136.234%0.34269%0.69SS.*  trans-57.4127.1178.4-175-12.9000110.2R410 L411D408-R410 VanDerWaalsContact CG-NE 3.32Å; D408-R410 PolarHBondContact O-N 3.42Å; D408-R410 WeakPolarHBondContact OD1-CB 3.35Å; D408-R410 WeakPolarHBondContact OD1-CG 3.48Å; D408-R410 IonicContact OD1-CZ 3.62Å; D408-R410 PolarHBondContact OD1-N 3.43Å; D408-R410 IonicContact OD1-NE 3.33Å; D408-R410 PolarHBondContact OD1-NE 3.19Å; D408-R410 VanDerWaalsContact OD1-NE 3.09Å; D408-R410 IonicContact OD1-NH2 2.8Å; D408-R410 IonicContact OD2-CZ 2.82Å; D408-R410 IonicContact OD2-NE 2.66Å; D408-R410 PolarHBondContact OD2-NE 3.25Å; D408-R410 IonicContact OD2-NH2 3.81Å; D408-R410 PolarHBondContact OD2-NH2 3.04Å; D408-L411 HydrophobicContact CB-CD1 3.93Å; D408-L411 HydrophobicContact CB-CG 4.09Å; D408-L411 VanDerWaalsContact O-CB 3.31Å; D408-L411 WeakPolarHBondContact O-CB 3.28Å; D408-L411 PolarHBondContact O-N 3.23Å
409Q81Confident68.8Low173 Ų173136.6 Ų136.681%0.80869%0.692SS**G310 helixtrans-54.9-25.5177.3-85.5175.5-4.500112.7Y407 L411 F412Y407-Q409 PolarHBondContact O-N 2.94Å; Q409-L411 PolarHBondContact O-N 2.95Å; Q409-F412 PolarHBondContact O-N 3.26Å
410R81Confident68.9Low193 Ų193137 Ų13773%0.72870%0.697SS**G310 helixtrans-66.5-18.4175.5-61.9177.6-70.1-169.61.8113.3D408 Q414D408-R410 VanDerWaalsContact CG-NE 3.32Å; D408-R410 PolarHBondContact O-N 3.42Å; D408-R410 WeakPolarHBondContact OD1-CB 3.35Å; D408-R410 WeakPolarHBondContact OD1-CG 3.48Å; D408-R410 IonicContact OD1-CZ 3.62Å; D408-R410 PolarHBondContact OD1-N 3.43Å; D408-R410 IonicContact OD1-NE 3.33Å; D408-R410 PolarHBondContact OD1-NE 3.19Å; D408-R410 VanDerWaalsContact OD1-NE 3.09Å; D408-R410 IonicContact OD1-NH2 2.8Å; D408-R410 IonicContact OD2-CZ 2.82Å; D408-R410 IonicContact OD2-NE 2.66Å; D408-R410 PolarHBondContact OD2-NE 3.25Å; D408-R410 IonicContact OD2-NH2 3.81Å; D408-R410 PolarHBondContact OD2-NH2 3.04Å; R410-Q414 PolarHBondContact O-NE2 3.04Å
411L75.1Confident69.3Low105 Ų105127.2 Ų127.255%0.5567%0.673SS.*G310 helixtrans-88-20.6177.4-62169.7000112.6D408 Q409D408-L411 HydrophobicContact CB-CD1 3.93Å; D408-L411 HydrophobicContact CB-CG 4.09Å; D408-L411 VanDerWaalsContact O-CB 3.31Å; D408-L411 WeakPolarHBondContact O-CB 3.28Å; D408-L411 PolarHBondContact O-N 3.23Å; Q409-L411 PolarHBondContact O-N 2.95Å
412F74Confident69.3Low126 Ų126130 Ų13055%0.55368%0.676SS**THydrogen-bonded Turntrans-86.5152.4173.7-69.3-74.2000110.9Y407 Q409 Q414Y407-F412 HydrophobicContact CD2-CZ 4.26Å; Y407-F412 HydrophobicContact CG-CE2 4.48Å; Y407-F412 HydrophobicContact CG-CZ 4.38Å; Q409-F412 PolarHBondContact O-N 3.26Å; F412-Q414 PolarHBondContact O-N 3.38Å
413N73.1Confident69.4Low173 Ų173129.2 Ų129.293%0.92567%0.674SS**THydrogen-bonded Turntrans59.322.5-174.9-61.1-26000114.9
414Q73Confident69.6Low111 Ų111125.2 Ų125.252%0.51967%0.673SS.*  trans-75124.1160.8-62.1-170.75.300108.2R410 F412 K416R410-Q414 PolarHBondContact O-NE2 3.04Å; F412-Q414 PolarHBondContact O-N 3.38Å; Q414-K416 PolarHBondContact O-N 3.17Å
415S71.8Confident69.8Low104 Ų104119.6 Ų119.673%0.72766%0.657SS**SBendtrans-69.510.1-17855.80000114.9G417S415-G417 PolarHBondContact O-N 3.3Å
416K64.9Low69.5Low156 Ų156120.2 Ų120.268%0.67865%0.652SS**THydrogen-bonded Turntrans-87.790.4180-78.3-175.4170.5-1720110.3Q414Q414-K416 PolarHBondContact O-N 3.17Å
417G64.6Low69.6Low61 Ų61120.1 Ų120.163%0.62966%0.657SS**THydrogen-bonded Turntrans-178.7-31.817200000117.6S415S415-G417 PolarHBondContact O-N 3.3Å
418M64.2Low69.7Low183 Ų183121.6 Ų121.690%0.90167%0.669SS**THydrogen-bonded Turntrans-108.1-27.3177.7-80.1179.571.100113.7
419D64Low69.6Low144 Ų144121.6 Ų121.677%0.7767%0.668SS**SBendtrans-92.9-8.6-173.4-64.9-18.9000114G421D419-G421 PolarHBondContact O-N 2.89Å; D419-G421 VanDerWaalsContact O-N 3.1Å
420S64.4Low69.1Low101 Ų101122.7 Ų122.771%0.70667%0.666SS**  trans-85.536-179.361.70000113.1
421G66Low68.9Low43 Ų43117.4 Ų117.444%0.44365%0.652SS.*  trans-84.7137.3176.600000111.6D419 A423D419-G421 PolarHBondContact O-N 2.89Å; D419-G421 VanDerWaalsContact O-N 3.1Å; G421-A423 VanDerWaalsContact C-N 3.34Å; G421-A423 PolarHBondContact O-N 3.04Å
422F64.5Low69Low173 Ų173117.2 Ų117.276%0.75966%0.655SS**  trans-66.298.5163-149.6-100.5000106.2G424F422-G424 VanDerWaalsContact C-N 3.26Å; F422-G424 PolarHBondContact O-N 3.06Å
423A62.6Low69.3Low52 Ų52120 Ų12043%0.4366%0.663SS.*  trans-63.283.4-173.400000111.2G421 G425 E426 I429G421-A423 VanDerWaalsContact C-N 3.34Å; G421-A423 PolarHBondContact O-N 3.04Å; A423-G425 PolarHBondContact O-N 3.47Å; A423-E426 PolarHBondContact O-N 3.01Å; A423-E426 VanDerWaalsContact O-N 3.08Å; A423-I429 HydrophobicContact CB-CD1 3.32Å
424G69Low69.4Low89 Ų89118.6 Ų118.692%0.91866%0.656SS**THydrogen-bonded Turntrans62.3-1.8174.400000117F422F422-G424 VanDerWaalsContact C-N 3.26Å; F422-G424 PolarHBondContact O-N 3.06Å
425G65Low69.6Low36 Ų36120.9 Ų120.937%0.37167%0.667SS.*THydrogen-bonded Turntrans80.826.8-168.900000114A423 D427A423-G425 PolarHBondContact O-N 3.47Å; G425-D427 PolarHBondContact O-N 2.66Å
426E64.5Low70.1Confident130 Ų130119.6 Ų119.661%0.60766%0.663SS**  trans-70109.2168.1-102.4-178.1171.500110.3A423 E428 I429A423-E426 PolarHBondContact O-N 3.01Å; A423-E426 VanDerWaalsContact O-N 3.08Å; E426-E428 PolarHBondContact O-N 2.78Å; E426-E428 VanDerWaalsContact O-N 3.07Å; E426-I429 HydrophobicContact CB-CD1 3.48Å; E426-I429 VanDerWaalsContact CB-CD1 3.48Å; E426-I429 HydrophobicContact CB-CG1 3.81Å; E426-I429 PolarHBondContact O-N 3.09Å; E426-I429 WeakPolarHBondContact OE2-CD1 3.36Å
427D70.3Confident71Confident157 Ų157122.9 Ų122.984%0.8467%0.671SS**THydrogen-bonded Turntrans-61.4-14.2179.1-68.4-24.2000113.5G425G425-D427 PolarHBondContact O-N 2.66Å
428E74Confident71.7Confident179 Ų179127.9 Ų127.984%0.83667%0.671SS**THydrogen-bonded Turntrans-80.8-14.2-176.7-61-171.4170.900114.2E426E426-E428 PolarHBondContact O-N 2.78Å; E426-E428 VanDerWaalsContact O-N 3.07Å
429I74Confident72.1Confident65 Ų65121.5 Ų121.533%0.33365%0.652SS.*SBendtrans-82.4-18.9-168.2-54.3171.7000112.3A423 E426 N431A423-I429 HydrophobicContact CB-CD1 3.32Å; E426-I429 HydrophobicContact CB-CD1 3.48Å; E426-I429 VanDerWaalsContact CB-CD1 3.48Å; E426-I429 HydrophobicContact CB-CG1 3.81Å; E426-I429 PolarHBondContact O-N 3.09Å; E426-I429 WeakPolarHBondContact OE2-CD1 3.36Å; I429-N431 HydrophobicContact CG2-CB 4.13Å; I429-N431 PolarHBondContact O-N 3.36Å
430Y71.6Confident72.2Confident195 Ų195116.6 Ų116.677%0.76564%0.635SS**  trans42.141.1173.6-150.2-95.8000114.8V432Y430-V432 PolarHBondContact O-N 3Å
431N77.1Confident72.1Confident82 Ų82120.7 Ų120.744%0.43964%0.64SS.*  trans-99.234.3-175.561.9-8.8000113.1I429 Y433I429-N431 HydrophobicContact CG2-CB 4.13Å; I429-N431 PolarHBondContact O-N 3.36Å; N431-Y433 PolarHBondContact O-N 2.78Å
432V77.1Confident71.8Confident101 Ų101125.7 Ų125.761%0.61266%0.657SS**  trans-66.8-21.9-173.2-1750000113.5Y430Y430-V432 PolarHBondContact O-N 3Å
433Y79.5Confident71.6Confident184 Ų184123.6 Ų123.672%0.72265%0.651SS**  trans-122.5125.4-175-56.5-60.3000112.1N431 Q435N431-Y433 PolarHBondContact O-N 2.78Å; Y433-Q435 PolarHBondContact O-N 3.36Å
434D75.3Confident71.4Confident145 Ų145124.1 Ų124.178%0.77566%0.655SS**SBendtrans-71.4-14.8178.1-64.6-9.9000114
435Q78.5Confident71.2Confident159 Ų159127.1 Ų127.174%0.74365%0.645SS**SBendtrans-140.7147.4-175.4-66.1-175.4-7.700111.3Y433Y433-Q435 PolarHBondContact O-N 3.36Å
436A81.5Confident71.3Confident77 Ų77129.9 Ų129.964%0.63666%0.659SS**  trans-70.1139173.700000111.4R438A436-R438 PolarHBondContact O-N 3.15Å
437W82.8Confident71.4Confident224 Ų224129.7 Ų129.785%0.84866%0.661SS**SBendtrans-52.6-29.2178.3166.9-116.7000114.8
438R80.9Confident71.2Confident167 Ų167131.9 Ų131.963%0.6366%0.659SS**  trans-124128.6176.8-69.3-73.8-155.7-106.10.8108.9A436 G440A436-R438 PolarHBondContact O-N 3.15Å; R438-G440 PolarHBondContact O-N 2.86Å
439G70.6Confident71Confident49 Ų49133 Ų13351%0.50566%0.655SS.*THydrogen-bonded Turntrans-64.21.2168.400000114.3K441 D442 M443G439-K441 VanDerWaalsContact C-N 3.29Å; G439-K441 PolarHBondContact O-N 3.23Å; G439-D442 PolarHBondContact O-N 3.16Å; G439-M443 WeakPolarHBondContact O-CB 3.43Å; G439-M443 VanDerWaalsContact O-CG 3.25Å; G439-M443 WeakPolarHBondContact O-CG 3.36Å; G439-M443 PolarHBondContact O-N 2.85Å
440G66.3Low70.8Confident41 Ų41134.1 Ų134.142%0.42367%0.667SS.*Hα-helixtrans-62.6-28.8-17600000114.6R438 A444R438-G440 PolarHBondContact O-N 2.86Å; G440-A444 VanDerWaalsContact O-CB 3.3Å; G440-A444 WeakPolarHBondContact O-CB 3.49Å; G440-A444 PolarHBondContact O-N 3.15Å
441K62.8Low70.4Confident186 Ų186127.7 Ų127.781%0.80965%0.65SS**Hα-helixtrans-78.4-32.6177.7-88.4-178.9173.7179.80113.3G439 A444G439-K441 VanDerWaalsContact C-N 3.29Å; G439-K441 PolarHBondContact O-N 3.23Å; K441-A444 WeakPolarHBondContact O-CB 3.24Å
442D60Low69.6Low149 Ų149132.5 Ų132.580%0.79767%0.667SS**Hα-helixtrans-82.3-34.8177.9-137.619.2000110.7G439 A444G439-D442 PolarHBondContact O-N 3.16Å; D442-A444 VanDerWaalsContact C-N 3.3Å; D442-A444 PolarHBondContact O-N 3.44Å
443M59.6Low69.1Low129 Ų129133.2 Ų133.264%0.63567%0.668SS**Hα-helixtrans-71.2-22.9170.9-65.3-133.5-63.700113G439 Q445 S446 I447G439-M443 WeakPolarHBondContact O-CB 3.43Å; G439-M443 VanDerWaalsContact O-CG 3.25Å; G439-M443 WeakPolarHBondContact O-CG 3.36Å; G439-M443 PolarHBondContact O-N 2.85Å; M443-Q445 PolarHBondContact O-N 2.82Å; M443-S446 CarbonylContact O-C 3.57Å; M443-S446 PolarHBondContact O-N 2.66Å; M443-I447 HydrophobicContact CB-CG1 4.34Å; M443-I447 WeakPolarHBondContact O-CG1 3.47Å; M443-I447 PolarHBondContact O-N 2.85Å
444A59.5Low68.3Low62 Ų62130.9 Ų130.951%0.51267%0.667SS.*THydrogen-bonded Turntrans-56.4-26.1-177.700000114G440 K441 D442 S446G440-A444 VanDerWaalsContact O-CB 3.3Å; G440-A444 WeakPolarHBondContact O-CB 3.49Å; G440-A444 PolarHBondContact O-N 3.15Å; K441-A444 WeakPolarHBondContact O-CB 3.24Å; D442-A444 VanDerWaalsContact C-N 3.3Å; D442-A444 PolarHBondContact O-N 3.44Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 3.3Å
445Q63.7Low67.7Low153 Ų153128.9 Ų128.972%0.71566%0.657SS**THydrogen-bonded Turntrans-77.1-12178.4-62.7-148.5-8.300114.1M443 R449M443-Q445 PolarHBondContact O-N 2.82Å; Q445-R449 PolarHBondContact O-NH1 2.71Å
446S66.7Low66.8Low94 Ų94125.8 Ų125.866%0.65764%0.641SS**THydrogen-bonded Turntrans-139.58.8-172.7-72.70000115.7M443 A444 Y448M443-S446 CarbonylContact O-C 3.57Å; M443-S446 PolarHBondContact O-N 2.66Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 3.3Å; S446-Y448 PolarHBondContact O-N 2.73Å
447I68.2Low65.9Low126 Ų126129.1 Ų129.165%0.64665%0.648SS**SBendtrans-55.3-32.7-175.6-55.2-171.3000112.5M443M443-I447 HydrophobicContact CB-CG1 4.34Å; M443-I447 WeakPolarHBondContact O-CG1 3.47Å; M443-I447 PolarHBondContact O-N 2.85Å
448Y65.8Low65Low202 Ų202125.5 Ų125.579%0.79264%0.642SS**SBendtrans-158.2103.4171.4-171.1-109.7000110.6S446 P450S446-Y448 PolarHBondContact O-N 2.73Å; Y448-P450 HydrophobicContact CD1-CG 3.93Å; Y448-P450 HydrophobicContact CD2-CG 4.29Å; Y448-P450 HydrophobicContact CE1-CG 3.35Å; Y448-P450 HydrophobicContact CE2-CG 3.76Å; Y448-P450 HydrophobicContact CG-CG 4.37Å; Y448-P450 WeakPolarHBondContact OH-CG 3.31Å
449R69.8Low64.1Low202 Ų202125 Ų12576%0.76264%0.641SS**  trans-132.685.7168.5-87.1-174.2140.2123.7-4.1109.7Q445 S451Q445-R449 PolarHBondContact O-NH1 2.71Å; R449-S451 PolarHBondContact O-N 2.99Å
450P68.7Low63.4Low89 Ų89124.7 Ų124.758%0.57864%0.638SS**  trans-64.1106.4172.9-15.429.3000109Y448Y448-P450 HydrophobicContact CD1-CG 3.93Å; Y448-P450 HydrophobicContact CD2-CG 4.29Å; Y448-P450 HydrophobicContact CE1-CG 3.35Å; Y448-P450 HydrophobicContact CE2-CG 3.76Å; Y448-P450 HydrophobicContact CG-CG 4.37Å; Y448-P450 WeakPolarHBondContact OH-CG 3.31Å
451S63.3Low62.9Low60 Ų60128.2 Ų128.242%0.4265%0.647SS.*  trans-87.7110.7173.3177.60000108.6R449 N453 L454R449-S451 PolarHBondContact O-N 2.99Å; S451-N453 PolarHBondContact O-N 3.23Å; S451-N453 PolarHBondContact OG-N 2.75Å; S451-L454 PolarHBondContact O-N 3.06Å
452K61.9Low62.7Low183 Ų183124 Ų12480%0.79663%0.634SS**THydrogen-bonded Turntrans-57.6-13.8174.1-70.7-179178.4179.40113.6
453N65.6Low62.9Low117 Ų117122.1 Ų122.163%0.62662%0.623SS**THydrogen-bonded Turntrans-89-19.7178.7-75.6-5.4000113.5S451S451-N453 PolarHBondContact O-N 3.23Å; S451-N453 PolarHBondContact OG-N 2.75Å
454L63.6Low63Low135 Ų135119.2 Ų119.271%0.70761%0.608SS**THydrogen-bonded Turntrans-79.4-32.5-180-121.580.4000112.6S451 K456S451-L454 PolarHBondContact O-N 3.06Å; L454-K456 VanDerWaalsContact C-N 3.34Å
455D61.2Low63.1Low103 Ų103118.8 Ų118.855%0.55161%0.605SS**Hα-helixtrans-76.2-21.1-179.7-75.1-28000113.1D457 Y459D455-D457 VanDerWaalsContact C-N 3.32Å; D455-D457 PolarHBondContact O-N 3.29Å; D455-Y459 PolarHBondContact O-N 3.47Å; D455-Y459 VanDerWaalsContact O-N 3.07Å
456K60.8Low63.1Low94 Ų94119.5 Ų119.541%0.40960%0.601SS.*Hα-helixtrans-67-29.3-179.7-85.7-171.2173.2-149.20113.8L454 E464L454-K456 VanDerWaalsContact C-N 3.34Å; K456-E464 WeakPolarHBondContact CE-OE1 3.38Å; K456-E464 IonicContact NZ-OE1 2.75Å; K456-E464 PolarHBondContact NZ-OE1 3.11Å; K456-E464 IonicContact NZ-OE2 3.8Å; K456-E464 PolarHBondContact NZ-OE2 2.93Å
457D62.7Low62.9Low147 Ų147121 Ų12179%0.78660%0.6SS**Hα-helixtrans-89.7-27-178.2-66.5-28.9000112.6D455D455-D457 VanDerWaalsContact C-N 3.32Å; D455-D457 PolarHBondContact O-N 3.29Å
458M63.8Low62.8Low148 Ų148122.1 Ų122.173%0.72960%0.6SS**Hα-helixtrans-84.4-36.4178.3-117.1-159.173.900112.7
459Y61Low62.5Low156 Ų156115.4 Ų115.461%0.61258%0.58SS**SBendtrans-102.772.8170.8-67.3-84.7000107.7D455D455-Y459 PolarHBondContact O-N 3.47Å; D455-Y459 VanDerWaalsContact O-N 3.07Å
460G56Low62Low43 Ų43112.9 Ų112.944%0.44358%0.582SS.*  trans-40.6152.9-175.100000113.3D462 L463G460-D462 WeakPolarHBondContact O-CA 3.27Å; G460-D462 PolarHBondContact O-N 3.3Å; G460-L463 PolarHBondContact O-N 2.78Å
461D57.1Low61.7Low114 Ų114118.6 Ų118.661%0.6159%0.592SS**THydrogen-bonded Turntrans-44.1-4.7-167.3-127.2-3.1000117.6L463 E464 A465D461-L463 PolarHBondContact O-N 3.32Å; D461-E464 PolarHBondContact O-N 2.76Å; D461-A465 WeakPolarHBondContact O-CB 3.03Å; D461-A465 PolarHBondContact O-N 3.04Å
462D58.4Low61.6Low99 Ų99124.2 Ų124.253%0.52961%0.609SS.*Hα-helixtrans-54.3-31165.1-102.728.5000113.6G460 R466G460-D462 WeakPolarHBondContact O-CA 3.27Å; G460-D462 PolarHBondContact O-N 3.3Å; D462-R466 WeakPolarHBondContact O-CB 3.38Å; D462-R466 WeakPolarHBondContact O-CD 3.2Å; D462-R466 WeakPolarHBondContact O-CG 3.35Å; D462-R466 PolarHBondContact O-N 3.18Å; D462-R466 IonicContact OD2-CZ 3.45Å; D462-R466 IonicContact OD2-NE 2.74Å; D462-R466 IonicContact OD2-NH2 3.13Å; D462-R466 PolarHBondContact OD2-NH2 3.12Å
463L63Low61.5Low109 Ų109120.3 Ų120.357%0.57160%0.601SS**Hα-helixtrans-72.6-44.6175.3-156.487.3000110.9G460 D461 R466 I467G460-L463 PolarHBondContact O-N 2.78Å; D461-L463 PolarHBondContact O-N 3.32Å; L463-R466 PolarHBondContact O-N 3.19Å; L463-I467 HydrophobicContact CD2-CD1 4.05Å; L463-I467 HydrophobicContact CG-CD1 3.9Å; L463-I467 VanDerWaalsContact O-CB 3.27Å; L463-I467 WeakPolarHBondContact O-CB 3.47Å; L463-I467 VanDerWaalsContact O-CD1 3.28Å; L463-I467 WeakPolarHBondContact O-CD1 3.45Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; L463-I467 PolarHBondContact O-N 3.17Å
464E61.5Low61.3Low67 Ų67119.7 Ų119.731%0.31360%0.603SS.*Hα-helixtrans-75.8-28.6-178.9-148.7163.5-149.200111.7K456 D461 K468K456-E464 WeakPolarHBondContact CE-OE1 3.38Å; K456-E464 IonicContact NZ-OE1 2.75Å; K456-E464 PolarHBondContact NZ-OE1 3.11Å; K456-E464 IonicContact NZ-OE2 3.8Å; K456-E464 PolarHBondContact NZ-OE2 2.93Å; D461-E464 PolarHBondContact O-N 2.76Å; E464-K468 VanDerWaalsContact O-CB 3.31Å; E464-K468 WeakPolarHBondContact O-CB 3.37Å; E464-K468 WeakPolarHBondContact O-CD 3.07Å; E464-K468 VanDerWaalsContact O-CG 3.24Å; E464-K468 WeakPolarHBondContact O-CG 3.5Å; E464-K468 PolarHBondContact O-N 3.25Å; E464-K468 VanDerWaalsContact O-N 3.09Å
465A63Low61.2Low54 Ų54121.3 Ų121.345%0.44661%0.612SS.*Hα-helixtrans-73.7-37.9169.900000112.8D461 K468 T469D461-A465 WeakPolarHBondContact O-CB 3.03Å; D461-A465 PolarHBondContact O-N 3.04Å; A465-K468 PolarHBondContact O-N 3.07Å; A465-T469 WeakPolarHBondContact O-CG2 3.27Å; A465-T469 PolarHBondContact O-N 3.42Å
466R62.1Low61Low167 Ų167124 Ų12463%0.6362%0.619SS**Hα-helixtrans-70.4-35.7173-75.3172.2-158178.89112.2D462 L463 K468 T469D462-R466 WeakPolarHBondContact O-CB 3.38Å; D462-R466 WeakPolarHBondContact O-CD 3.2Å; D462-R466 WeakPolarHBondContact O-CG 3.35Å; D462-R466 PolarHBondContact O-N 3.18Å; D462-R466 IonicContact OD2-CZ 3.45Å; D462-R466 IonicContact OD2-NE 2.74Å; D462-R466 IonicContact OD2-NH2 3.13Å; D462-R466 PolarHBondContact OD2-NH2 3.12Å; L463-R466 PolarHBondContact O-N 3.19Å; R466-K468 VanDerWaalsContact C-N 3.34Å; R466-T469 PolarHBondContact O-OG1 2.88Å
467I64Low60.7Low126 Ų126127.1 Ų127.165%0.64664%0.635SS**Hα-helixtrans-70.7-27.9176.1-69.8165.6000112L463L463-I467 HydrophobicContact CD2-CD1 4.05Å; L463-I467 HydrophobicContact CG-CD1 3.9Å; L463-I467 VanDerWaalsContact O-CB 3.27Å; L463-I467 WeakPolarHBondContact O-CB 3.47Å; L463-I467 VanDerWaalsContact O-CD1 3.28Å; L463-I467 WeakPolarHBondContact O-CD1 3.45Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; L463-I467 PolarHBondContact O-N 3.17Å
468K65.2Low60.1Low149 Ų149128.3 Ų128.365%0.64863%0.634SS**THydrogen-bonded Turntrans-87.5-3.9177.9-78173.2-177.7167.40115.2E464 A465 R466E464-K468 VanDerWaalsContact O-CB 3.31Å; E464-K468 WeakPolarHBondContact O-CB 3.37Å; E464-K468 WeakPolarHBondContact O-CD 3.07Å; E464-K468 VanDerWaalsContact O-CG 3.24Å; E464-K468 WeakPolarHBondContact O-CG 3.5Å; E464-K468 PolarHBondContact O-N 3.25Å; E464-K468 VanDerWaalsContact O-N 3.09Å; A465-K468 PolarHBondContact O-N 3.07Å; R466-K468 VanDerWaalsContact C-N 3.34Å
469T60.1Low59.6Low61 Ų61126.5 Ų126.537%0.37464%0.635SS.*SBendtrans-78.7128169.861.90000110.3A465 R466 R471A465-T469 WeakPolarHBondContact O-CG2 3.27Å; A465-T469 PolarHBondContact O-N 3.42Å; R466-T469 PolarHBondContact O-OG1 2.88Å; T469-R471 PolarHBondContact O-N 3.23Å
470N59.1Low59.5Low149 Ų149122.8 Ų122.880%0.79764%0.644SS**THydrogen-bonded Turntrans-66.530177.7-70.9-27.4000114.1
471R62.2Low59.1Low209 Ų209124.6 Ų124.679%0.78965%0.65SS**THydrogen-bonded Turntrans-87.8-11178.7-71.1-178.3-159.8-151.82.8113.7T469T469-R471 PolarHBondContact O-N 3.23Å
472F60.9Low58.6Low179 Ų179125.6 Ų125.679%0.78566%0.656SS**SBendtrans-133.324.1-173.5-61.5-73.3000114P474F472-P474 WeakPolarHBondContact O-CD 3.28Å
473V59.7Low58.1Low101 Ų101132.2 Ų132.261%0.61267%0.673SS**  trans-96112171.7-175.20000108.2
474P61.3Low57.3Low104 Ų104137.1 Ų137.168%0.67568%0.684SS**  trans-64.5136.2172-17.931.8000110.8F472 K476F472-P474 WeakPolarHBondContact O-CD 3.28Å; P474-K476 PolarHBondContact O-N 2.68Å
475D61.6Low56.6Low168 Ų168141.7 Ų141.790%0.89871%0.705SS**SBendtrans-67.87.9-176.7-74.2-33.3000115.3
476K57.5Low55.5Low161 Ų161149.7 Ų149.770%0.772%0.724SS**  trans-171.3134.5-175.9-106.7143.3173.6-179.80107.5P474P474-K476 PolarHBondContact O-N 2.68Å
477E55.3Low54.7Low158 Ų158145.9 Ų145.974%0.73874%0.737SS**  cis-175.9161.14.4-105.9168.1-15500104.3
478F48.4Very low53.7Low173 Ų173151.6 Ų151.676%0.75975%0.751SS**  -166.298.1126.1-168.2-103.8000107.7G480F478-G480 PolarHBondContact O-N 2.95Å
479S55Low53Low110 Ų110154.2 Ų154.277%0.76977%0.765SS**THydrogen-bonded Turntrans-61.1120.4173.555.30000109.8
480G58.2Low53.1Low77 Ų77154.2 Ų154.279%0.79478%0.777SS**THydrogen-bonded Turntrans135.51175.600000116.3F478F478-G480 PolarHBondContact O-N 2.95Å
481S48Very low53.2Low82 Ų82153.4 Ų153.457%0.57378%0.78SS**  trans-117.382.1173.257.60000111.6R483S481-R483 PolarHBondContact O-N 3.06Å
482D46.8Very low52.9Low135 Ų135148.5 Ų148.572%0.72277%0.773SS**  trans-70.396.3167.3-161.16.1000108.4R484D482-R484 PolarHBondContact O-N 2.8Å; D482-R484 WeakPolarHBondContact OD1-CG 3.18Å
483R47.3Very low52.7Low237 Ų237149.1 Ų149.189%0.89478%0.778SS**  trans-75.269.4171.8-72.5-174.6-172.4171.33.6109.4S481S481-R483 PolarHBondContact O-N 3.06Å
484R45.8Very low52.4Low212 Ų212153.2 Ų153.280%0.879%0.788SS**  trans-12163.7169-75.5-172.8180-157.53.2111.5D482D482-R484 PolarHBondContact O-N 2.8Å; D482-R484 WeakPolarHBondContact OD1-CG 3.18Å
485Q48.1Very low52Low163 Ų163157.5 Ų157.576%0.76280%0.799SS**  trans-158.9136.8164.4-79.4-162.8-12.200106.1
486R39.2Very low51.6Low222 Ų222158.4 Ų158.484%0.83880%0.798SS**  cis-163.6136.710-102.9167179.9-171.70.9104.2
487G44.8Very low51.8Low88 Ų88154.1 Ų154.191%0.90778%0.783SS**  trans-143.477.116700000108.1
488R43.7Very low52.4Low246 Ų246152.2 Ų152.293%0.92878%0.784SS**  trans-125.582.6175.5-158.2-178.2-165.4-111.74.4107.5
489E50.4Low53.2Low204 Ų204151.9 Ų151.995%0.95378%0.782SS**  trans-124.394.9168.7-80.6-174.5165.100107.9
490G62.4Low53.9Low60 Ų60148.4 Ų148.462%0.61976%0.764SS**  trans-145.2132.8160.800000106.2
491P60.2Low54.6Low133 Ų133149.3 Ų149.386%0.86475%0.75SS**PPolyproline II helixtrans-64.5140.3177.226.7-30.3000109.8Q493P491-Q493 PolarHBondContact O-N 3.5Å
492V55.7Low55.7Low105 Ų105151 Ų15164%0.63675%0.753SS**PPolyproline II helixtrans-51.1121.5-169.6175.50000112.4F494V492-F494 HydrophobicContact CB-CE2 4.4Å; V492-F494 HydrophobicContact CB-CZ 4.37Å; V492-F494 HydrophobicContact CG1-CD1 4.16Å; V492-F494 HydrophobicContact CG1-CD2 4.42Å; V492-F494 HydrophobicContact CG1-CE1 4Å; V492-F494 HydrophobicContact CG1-CE2 4.27Å; V492-F494 HydrophobicContact CG1-CG 4.38Å; V492-F494 HydrophobicContact CG1-CZ 4.05Å; V492-F494 PolarHBondContact O-N 2.77Å
493Q58.3Low56.9Low192 Ų192152.4 Ų152.490%0.89775%0.753SS**PPolyproline II helixtrans-70.2118158.1-74.8172.8-34.700107.5P491P491-Q493 PolarHBondContact O-N 3.5Å
494F53Low58.3Low187 Ų187147.9 Ų147.982%0.8274%0.74SS**PPolyproline II helixtrans-84.4120170.1-66.3-81.4000108.4V492V492-F494 HydrophobicContact CB-CE2 4.4Å; V492-F494 HydrophobicContact CB-CZ 4.37Å; V492-F494 HydrophobicContact CG1-CD1 4.16Å; V492-F494 HydrophobicContact CG1-CD2 4.42Å; V492-F494 HydrophobicContact CG1-CE1 4Å; V492-F494 HydrophobicContact CG1-CE2 4.27Å; V492-F494 HydrophobicContact CG1-CG 4.38Å; V492-F494 HydrophobicContact CG1-CZ 4.05Å; V492-F494 PolarHBondContact O-N 2.77Å
495E52.7Low59.6Low195 Ų195143.1 Ų143.191%0.91173%0.729SS**PPolyproline II helixtrans-66.4155162.2-86.4175.2149.400110.4
496E53.5Low60.9Low187 Ų187142.1 Ų142.187%0.87473%0.725SS**  trans-36.2131.2-172.4-68.9172.9135.100115.7P498E496-P498 WeakPolarHBondContact O-CD 3.15Å; E496-P498 VanDerWaalsContact O-N 3.12Å
497D61.3Low62.5Low71 Ų71138 Ų13838%0.3872%0.715SS.*  trans-55.9108.2165.1173.226.3000109.8F499 G500 L501D497-F499 PolarHBondContact O-N 2.58Å; D497-F499 PolarHBondContact OD1-N 2.88Å; D497-F499 VanDerWaalsContact OD1-N 3.11Å; D497-G500 PolarHBondContact O-N 3.26Å; D497-G500 PolarHBondContact OD2-N 3.41Å; D497-L501 WeakPolarHBondContact OD2-CB 3.42Å; D497-L501 PolarHBondContact OD2-N 2.75Å
498P67.6Low63.6Low117 Ų117136.9 Ų136.976%0.7670%0.697SS**THydrogen-bonded Turntrans-69.3-3-178.127.5-30.6000113E496E496-P498 WeakPolarHBondContact O-CD 3.15Å; E496-P498 VanDerWaalsContact O-N 3.12Å
499F66Low64.7Low166 Ų166133.8 Ų133.873%0.72869%0.69SS**THydrogen-bonded Turntrans-105.40.5-179-70.3-80.3000114.8D497 L501D497-F499 PolarHBondContact O-N 2.58Å; D497-F499 PolarHBondContact OD1-N 2.88Å; D497-F499 VanDerWaalsContact OD1-N 3.11Å; F499-L501 HydrophobicContact CB-CD1 3.91Å; F499-L501 HydrophobicContact CB-CG 4.13Å; F499-L501 PolarHBondContact O-N 3.42Å
500G69.9Low65.4Low37 Ų37132 Ų13238%0.38168%0.682SS.*  trans55.825.2173.700000114.1D497 D502 K503 F504D497-G500 PolarHBondContact O-N 3.26Å; D497-G500 PolarHBondContact OD2-N 3.41Å; G500-D502 VanDerWaalsContact C-N 3.29Å; G500-D502 PolarHBondContact O-N 2.98Å; G500-K503 PolarHBondContact O-N 2.95Å; G500-F504 PolarHBondContact O-N 2.94Å
501L71Confident65.3Low96 Ų96136.9 Ų136.950%0.50369%0.688SS.*Hα-helixtrans-68.3-32.7-174.6-79.3158.3000111.1D497 F499 F504 L505D497-L501 WeakPolarHBondContact OD2-CB 3.42Å; D497-L501 PolarHBondContact OD2-N 2.75Å; F499-L501 HydrophobicContact CB-CD1 3.91Å; F499-L501 HydrophobicContact CB-CG 4.13Å; F499-L501 PolarHBondContact O-N 3.42Å; L501-F504 PolarHBondContact O-N 3.44Å; L501-L505 WeakPolarHBondContact O-CB 3.09Å; L501-L505 PolarHBondContact O-N 2.8Å
502D72.7Confident64.6Low119 Ų119133.9 Ų133.964%0.63668%0.682SS**Hα-helixtrans-66.8-37176.4-82-10.8000112.5G500 L505 E506G500-D502 VanDerWaalsContact C-N 3.29Å; G500-D502 PolarHBondContact O-N 2.98Å; D502-L505 PolarHBondContact O-N 3.09Å; D502-E506 PolarHBondContact O-N 3.47Å; D502-E506 VanDerWaalsContact O-N 3.09Å
503K72Confident63.9Low164 Ų164132.8 Ų132.871%0.71369%0.691SS**Hα-helixtrans-69.7-38.8174.7-74.4-176.9179.1175.70111.9G500 E506 E507G500-K503 PolarHBondContact O-N 2.95Å; K503-E506 PolarHBondContact O-N 2.93Å; K503-E507 WeakPolarHBondContact O-CB 3.34Å; K503-E507 PolarHBondContact O-N 3.03Å
504F75.1Confident63.3Low142 Ų142129.4 Ų129.462%0.62369%0.689SS**Hα-helixtrans-66.1-38.2176.4-177-102.1000112.3G500 L501 A508G500-F504 PolarHBondContact O-N 2.94Å; L501-F504 PolarHBondContact O-N 3.44Å; F504-A508 WeakPolarHBondContact O-CB 3.44Å; F504-A508 PolarHBondContact O-N 2.93Å; F504-A508 VanDerWaalsContact O-N 3.08Å
505L74.5Confident62.9Low111 Ų111129.9 Ų129.958%0.58169%0.691SS**Hα-helixtrans-71.5-34.1177.7-82.8162000113L501 D502 K509L501-L505 WeakPolarHBondContact O-CB 3.09Å; L501-L505 PolarHBondContact O-N 2.8Å; D502-L505 PolarHBondContact O-N 3.09Å; L505-K509 WeakPolarHBondContact O-CB 3.09Å; L505-K509 PolarHBondContact O-N 2.61Å
506E75.4Confident62.4Low142 Ų142132 Ų13266%0.66469%0.69SS**Hα-helixtrans-72.7-39.1173.9-78.2-172.4150.800112.7D502 K503 K509 Q510D502-E506 PolarHBondContact O-N 3.47Å; D502-E506 VanDerWaalsContact O-N 3.09Å; K503-E506 PolarHBondContact O-N 2.93Å; E506-K509 PolarHBondContact O-N 3.18Å; E506-Q510 PolarHBondContact O-N 3.33Å
507E71.9Confident61.9Low136 Ų136129.3 Ų129.364%0.63669%0.689SS**Hα-helixtrans-71.4-36.3-180-158.1169.5-155.900112.1K503 K509 Q510K503-E507 WeakPolarHBondContact O-CB 3.34Å; K503-E507 PolarHBondContact O-N 3.03Å; E507-K509 PolarHBondContact O-N 2.75Å; E507-Q510 PolarHBondContact O-N 3.31Å
508A67.3Low61Low64 Ų64131.5 Ų131.553%0.52971%0.71SS.*Hα-helixtrans-66.1-25172.500000113.1F504F504-A508 WeakPolarHBondContact O-CB 3.44Å; F504-A508 PolarHBondContact O-N 2.93Å; F504-A508 VanDerWaalsContact O-N 3.08Å
509K68.7Low59.7Low182 Ų182133.1 Ų133.179%0.79171%0.712SS**Hα-helixtrans-82.6-20.1-179.5-149.5172.4-176.6179.20113L505 E506 E507L505-K509 WeakPolarHBondContact O-CB 3.09Å; L505-K509 PolarHBondContact O-N 2.61Å; E506-K509 PolarHBondContact O-N 3.18Å; E507-K509 PolarHBondContact O-N 2.75Å
510Q65.2Low58.5Low165 Ų165130.5 Ų130.577%0.77171%0.714SS**Hα-helixtrans-85.6-18.5-179.9-70.6-160.87.700114.8E506 E507E506-Q510 PolarHBondContact O-N 3.33Å; E507-Q510 PolarHBondContact O-N 3.31Å
511H59.2Low57.2Low164 Ų164134.6 Ų134.676%0.75974%0.737SS**SBendtrans-107.45.6-173.4-73.1-70.7000116.5
512G45Very low55.9Low70 Ų70141 Ų14172%0.72275%0.754SS**  trans-110.66-170.300000118.4
513G41.8Very low54.5Low81 Ų81140.9 Ų140.984%0.83576%0.76SS**  trans-108.959-163.200000117.2
514S45.2Very low53Low122 Ų122141.3 Ų141.385%0.85376%0.762SS**  trans-98.3121166.7-178.80000111.1
515K44.1Very low51.5Low196 Ų196142 Ų14285%0.85277%0.767SS**  trans-56130.9178.7-75.8168.6172169.80113.1
516R43.1Very low50Low241 Ų241144.7 Ų144.791%0.90978%0.777SS**  -166.1138.2126.8-108171172.5-166.9-3.4111.2
517P43.7Very low48.2Very low129 Ų129146.4 Ų146.484%0.83878%0.784SS**PPolyproline II helixtrans-83.2130.2-176.820.3-7.2000111
518S42.7Very low46.9Very low117 Ų117148.4 Ų148.482%0.81879%0.794SS**PPolyproline II helixtrans-82.8129.8174.652.50000111.3
519D39.3Very low45.7Very low152 Ų152153.9 Ų153.981%0.81381%0.808SS**PPolyproline II helixtrans-75.1160.9155.9-156.7-7.9000109.8
520S40.5Very low44.4Very low111 Ų111148.3 Ų148.378%0.77680%0.802SS**  trans86.8114.9172.482.90000119
521S42.4Very low43.3Very low122 Ų122149.4 Ų149.485%0.85381%0.805SS**  trans-146.3110.6144.149.40000110.1
522R43.8Very low42.5Very low231 Ų231149.7 Ų149.787%0.87280%0.803SS**  trans-71160.8165-169179.4175.5-164.5-0.4109.8
523P43.3Very low42.5Very low116 Ų116155.7 Ų155.775%0.75380%0.804SS**  -139.1137127.428.2-10000111.5
524K41.5Very low42.7Very low174 Ų174161.4 Ų161.476%0.75780%0.801SS**  34.9113.795.1-86.7-169.9176.4-173.10111.2
525E42.5Very low43.1Very low157 Ų157164.6 Ų164.673%0.73480%0.799SS**  -179.2173.565.2-116.1161-157.400111.5
526H42.5Very low43.1Very low167 Ų167168 Ų16877%0.77382%0.818SS**  trans97.7112.4156.7-84.4-68.9000121.9
527E37.9Very low43.1Very low177 Ų177164.4 Ų164.483%0.82781%0.814SS**  trans-57.7139.9162.7-57171.6141.100112.3
528H44.3Very low43.1Very low179 Ų179166.3 Ų166.383%0.82981%0.813SS**  -161.3136.9126.1-129.3-77.9000111.6
529E42.7Very low43.1Very low179 Ų179169 Ų16984%0.83681%0.812SS**  trans-51.7158.6176.3-58.5179.3123.400114.7
530G42.3Very low43.3Very low65 Ų65170 Ų17067%0.6781%0.812SS**  128.799.412500000117.3
531K41.9Very low43.5Very low188 Ų188173.7 Ų173.782%0.81782%0.815SS**  trans70.2113.6133.3-70.4172.3-178.4163.20118.9
532K43Very low43.5Very low169 Ų169177.1 Ų177.174%0.73581%0.812SS**  72.6116.8119.7-73.8-177.9174.2176.80118.5
533R43.4Very low43.5Very low197 Ų197173.3 Ų173.374%0.74381%0.808SS**  81.2121.7122.5-72.3-179.7135-177.4-2.9118.5
534R47.3Very low43.5Very low200 Ų200177.7 Ų177.776%0.75581%0.812SS**  107.4127.7117.1-109.5-179.3168.9171.7-4.6117.4
535K52.8Low43.7Very low189 Ų189178 Ų17882%0.82282%0.817SS**  trans68136.8154.1-77.6-178.7162.8-170.30114.9
536E44Very low43.8Very low269 Ų269179.9 Ų179.9100%1.25782%0.824SS**  cis-97.6018.1-89.2163.5156.500117

Retrieved 536 of 536 residues in 523.6 ms (Link to these results)