A0A3Q0KI93_SCHMA Loading...

Dbl related

AlphaFold DB , UniProt , Accession A0A3Q0KI93, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,304 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
1M26.6Very low29.6Very low193 Ų193115.4 Ų115.495%0.95169%0.685SS**  084.40-68.1172.7173.600108.3
2T25.4Very low31.6Very low112 Ų112119.7 Ų119.769%0.68769%0.692SS**  trans-90.2-16-164.434.40000115N4T2-N4 PolarHBondContact O-N 2.68Å
3D28Very low33.9Very low122 Ų122119.2 Ų119.265%0.65270%0.695SS**G310 helixtrans-90.3-6.6-155-46-29.4000113.3Q5 S6D3-Q5 VanDerWaalsContact C-N 3.28Å; D3-Q5 PolarHBondContact O-N 3.49Å; D3-S6 WeakPolarHBondContact O-CB 3.46Å; D3-S6 PolarHBondContact O-OG 2.85Å
4N30.5Very low36.6Very low105 Ų105117.6 Ų117.656%0.56168%0.682SS**G310 helixtrans-80.72.4177.3-70.729.4000114T2 S6T2-N4 PolarHBondContact O-N 2.68Å; N4-S6 PolarHBondContact O-N 3.01Å
5Q31.2Very low39.9Very low135 Ų135111.9 Ų111.963%0.63165%0.648SS**G310 helixtrans-76.97167.8-70.5-171-1.200113D3D3-Q5 VanDerWaalsContact C-N 3.28Å; D3-Q5 PolarHBondContact O-N 3.49Å
6S28.6Very low43Very low69 Ų69105.8 Ų105.848%0.48361%0.612SS.*G310 helixtrans-89.8-16.8-173.852.60000115.5D3 N4 S8 S9D3-S6 WeakPolarHBondContact O-CB 3.46Å; D3-S6 PolarHBondContact O-OG 2.85Å; N4-S6 PolarHBondContact O-N 3.01Å; S6-S8 VanDerWaalsContact C-N 3.34Å; S6-S8 PolarHBondContact O-N 3.21Å; S6-S9 WeakPolarHBondContact O-CB 3.36Å; S6-S9 PolarHBondContact O-N 3.06Å; S6-S9 PolarHBondContact O-OG 3.49Å
7I31.9Very low45.9Very low124 Ų12499.5 Ų99.564%0.63658%0.576SS**G310 helixtrans-77.5-18-170.5-61.2179.8000113S9I7-S9 PolarHBondContact O-N 2.84Å
8S30.4Very low48.4Very low103 Ų10399 Ų9972%0.7257%0.565SS**G310 helixtrans-819.7169.653.90000114.3S6 N10S6-S8 VanDerWaalsContact C-N 3.34Å; S6-S8 PolarHBondContact O-N 3.21Å; S8-N10 PolarHBondContact O-N 3.32Å
9S29.1Very low50.7Low96 Ų9699.2 Ų99.267%0.67156%0.564SS**G310 helixtrans-66.6-19.9178.551.90000114.3S6 I7S6-S9 WeakPolarHBondContact O-CB 3.36Å; S6-S9 PolarHBondContact O-N 3.06Å; S6-S9 PolarHBondContact O-OG 3.49Å; I7-S9 PolarHBondContact O-N 2.84Å
10N30.7Very low52.7Low126 Ų12694.8 Ų94.867%0.67454%0.539SS*.SBendtrans-105.4115.4166.6-70.6-37.8000109S8 H12S8-N10 PolarHBondContact O-N 3.32Å; N10-H12 PolarHBondContact O-N 3.18Å
11G33.6Very low54.6Low84 Ų8495.5 Ų95.587%0.86653%0.533SS*.  trans-73.840.4-168.100000117.1
12H52.8Low57.6Low167 Ų16793.1 Ų93.177%0.77352%0.519SS*.PPolyproline II helixtrans-86.3143.8169.4-73.6-86000110.8N10N10-H12 PolarHBondContact O-N 3.18Å
13P62.3Low60.7Low113 Ų11389.2 Ų89.273%0.73449%0.494SS*.PPolyproline II helixtrans-64.6149.217428.6-34.7000111I15P13-I15 PolarHBondContact O-N 3.12Å
14L70.8Confident63.7Low98 Ų9883.5 Ų83.551%0.51346%0.464SS..PPolyproline II helixtrans-67.2125.6173.9-141.685.3000109.1L16 F184L14-L16 HydrophobicContact CD2-CD2 4.03Å; L14-F184 HydrophobicContact CD2-CE1 4.35Å
15I85.9Confident66.6Low32 Ų3280.8 Ų80.816%0.16445%0.449CS..PPolyproline II helixtrans-76.6127.3173.5-55.7170.1000108.1P13 I20 F60 Q63 Y64P13-I15 PolarHBondContact O-N 3.12Å; I15-I20 HydrophobicContact CG2-CG2 3.95Å; I15-F60 HydrophobicContact CD1-CD1 3.96Å; I15-Q63 HydrophobicContact CD1-CB 3.72Å; I15-Y64 HydrophobicContact CG2-CD2 4.28Å
16L89.9Confident69.4Low13 Ų1380.7 Ų80.77%0.06844%0.443CS..  trans-112.3154.6-179.7-58.4171.2000111.5L14 K18 D19 I20 E181 E185L14-L16 HydrophobicContact CD2-CD2 4.03Å; L16-K18 HydrophobicContact CB-CD 4.48Å; L16-K18 HydrophobicContact CB-CG 4.05Å; L16-K18 HydrophobicContact CD1-CD 4.49Å; L16-K18 VanDerWaalsContact CD1-CE 3.41Å; L16-K18 PolarHBondContact O-N 3.04Å; L16-K18 VanDerWaalsContact O-N 3.16Å; L16-D19 WeakPolarHBondContact CB-OD2 3.43Å; L16-D19 PolarHBondContact N-OD2 3.07Å; L16-D19 WeakPolarHBondContact O-CB 3.43Å; L16-D19 PolarHBondContact O-N 3.02Å; L16-I20 PolarHBondContact O-N 3.41Å; L16-E181 WeakPolarHBondContact CA-OE2 3.41Å; L16-E181 HydrophobicContact CD2-CB 4.3Å; L16-E181 HydrophobicContact CD2-CG 4.37Å; L16-E185 HydrophobicContact CD1-CG 4.45Å; L16-E185 WeakPolarHBondContact CD1-OE1 3.46Å
17A92Very high72.2Confident0 Ų079.7 Ų79.70%043%0.428CS..THydrogen-bonded Turntrans-58.7-30.1-178.300000113R21 L24 Y64 L174 R177 I178 E181A17-R21 WeakPolarHBondContact O-CA 3.33Å; A17-R21 PolarHBondContact O-N 3.15Å; A17-R21 VanDerWaalsContact O-N 3.16Å; A17-L24 HydrophobicContact CB-CD1 4.39Å; A17-Y64 HydrophobicContact CB-CE2 4.34Å; A17-Y64 WeakPolarHBondContact CB-OH 3.44Å; A17-L174 HydrophobicContact CB-CD1 3.89Å; A17-R177 HydrophobicContact CB-CB 4.44Å; A17-R177 HydrophobicContact CB-CG 3.71Å; A17-I178 HydrophobicContact CB-CG1 3.91Å; A17-E181 WeakPolarHBondContact CB-OE2 3.34Å; A17-E181 PolarHBondContact N-OE2 3.4Å
18K92Very high74.9Confident90 Ų9074.7 Ų74.739%0.39140%0.402SS..THydrogen-bonded Turntrans-66.7-33.6175.369.7-168.3178.3-171.40112.7L16 I178 E185L16-K18 HydrophobicContact CB-CD 4.48Å; L16-K18 HydrophobicContact CB-CG 4.05Å; L16-K18 HydrophobicContact CD1-CD 4.49Å; L16-K18 VanDerWaalsContact CD1-CE 3.41Å; L16-K18 PolarHBondContact O-N 3.04Å; L16-K18 VanDerWaalsContact O-N 3.16Å; K18-I178 HydrophobicContact CB-CD1 4.43Å; K18-I178 HydrophobicContact CB-CG1 4.33Å; K18-E185 IonicContact NZ-OE1 3.38Å; K18-E185 PolarHBondContact NZ-OE1 3.34Å; K18-E185 IonicContact NZ-OE2 3.38Å; K18-E185 PolarHBondContact NZ-OE2 3.09Å
19D90.9Very high77.8Confident102 Ų10269.9 Ų69.955%0.54537%0.368SS..THydrogen-bonded Turntrans-77.7-34.2-175.3-48.9-39.5000111.6L16L16-D19 WeakPolarHBondContact CB-OD2 3.43Å; L16-D19 PolarHBondContact N-OD2 3.07Å; L16-D19 WeakPolarHBondContact O-CB 3.43Å; L16-D19 PolarHBondContact O-N 3.02Å
20I91.4Very high80.8Confident11 Ų1165.4 Ų65.46%0.05634%0.337CS..THydrogen-bonded Turntrans-105.819.517964161.8000113.3I15 L16 E22 I23 L24 F60 L61 Y64I15-I20 HydrophobicContact CG2-CG2 3.95Å; L16-I20 PolarHBondContact O-N 3.41Å; I20-E22 VanDerWaalsContact C-N 3.29Å; I20-E22 PolarHBondContact O-N 3.25Å; I20-E22 VanDerWaalsContact O-N 3.17Å; I20-I23 HydrophobicContact CB-CD1 4.16Å; I20-I23 HydrophobicContact CG2-CD1 4.22Å; I20-I23 WeakPolarHBondContact O-CB 3.43Å; I20-I23 PolarHBondContact O-N 2.96Å; I20-L24 HydrophobicContact CD1-CD1 3.91Å; I20-L24 HydrophobicContact CD1-CD2 4.21Å; I20-L24 HydrophobicContact CD1-CG 3.94Å; I20-L24 HydrophobicContact CG1-CD1 3.79Å; I20-L24 HydrophobicContact CG1-CG 4.09Å; I20-L24 PolarHBondContact O-N 2.92Å; I20-L24 VanDerWaalsContact O-N 3.14Å; I20-F60 HydrophobicContact CG2-CB 4.34Å; I20-L61 HydrophobicContact CD1-CD1 4.3Å; I20-Y64 HydrophobicContact CD1-CD1 3.58Å; I20-Y64 HydrophobicContact CD1-CD2 4.27Å; I20-Y64 HydrophobicContact CD1-CE1 4.3Å; I20-Y64 HydrophobicContact CD1-CG 3.56Å
21R92Very high83.7Confident111 Ų11159.6 Ų59.642%0.41931%0.305SS..Hα-helixtrans-50.5-44.6-172.7-166.4-173.1-179.8-94.9-7.2113.1A17 I23 L24 L25 L174 I178A17-R21 WeakPolarHBondContact O-CA 3.33Å; A17-R21 PolarHBondContact O-N 3.15Å; A17-R21 VanDerWaalsContact O-N 3.16Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 2.82Å; R21-L24 PolarHBondContact O-N 3.16Å; R21-L25 HydrophobicContact CG-CD1 4.3Å; R21-L25 WeakPolarHBondContact O-CG 3.33Å; R21-L25 PolarHBondContact O-N 3.41Å; R21-L174 HydrophobicContact CG-CD2 3.63Å; R21-L174 HydrophobicContact CG-CG 4.25Å; R21-I178 HydrophobicContact CG-CD1 4.36Å
22E90Very high86.3Confident142 Ų14255.7 Ų55.766%0.66427%0.265SS*.Hα-helixtrans-66.6-31.3179.3-63.8-167.5-176.400113.8I20 R26I20-E22 VanDerWaalsContact C-N 3.29Å; I20-E22 PolarHBondContact O-N 3.25Å; I20-E22 VanDerWaalsContact O-N 3.17Å; E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.45Å; E22-R26 PolarHBondContact O-N 3.11Å
23I90.3Very high88Confident30 Ų3048.1 Ų48.115%0.15423%0.232CC..Hα-helixtrans-74-41.6179.5-57168.1000109.4I20 R21 R26 Y28 L53 L61I20-I23 HydrophobicContact CB-CD1 4.16Å; I20-I23 HydrophobicContact CG2-CD1 4.22Å; I20-I23 WeakPolarHBondContact O-CB 3.43Å; I20-I23 PolarHBondContact O-N 2.96Å; R21-I23 VanDerWaalsContact C-N 3.33Å; R21-I23 PolarHBondContact O-N 2.82Å; I23-R26 PolarHBondContact O-N 3.42Å; I23-Y28 HydrophobicContact CG2-CD2 4.29Å; I23-L53 HydrophobicContact CG2-CD1 3.93Å; I23-L61 HydrophobicContact CG2-CB 4.2Å; I23-L61 HydrophobicContact CG2-CD1 4.18Å; I23-L61 HydrophobicContact CG2-CD2 4.06Å; I23-L61 HydrophobicContact CG2-CG 4.38Å
24L91.9Very high89.3Confident2 Ų242.8 Ų42.81%0.0120%0.198CC..Hα-helixtrans-64.7-46.9176.8-68169.8000111.7A17 I20 R21 R26 R27 L61 Y64 F65 W173 L174A17-L24 HydrophobicContact CB-CD1 4.39Å; I20-L24 HydrophobicContact CD1-CD1 3.91Å; I20-L24 HydrophobicContact CD1-CD2 4.21Å; I20-L24 HydrophobicContact CD1-CG 3.94Å; I20-L24 HydrophobicContact CG1-CD1 3.79Å; I20-L24 HydrophobicContact CG1-CG 4.09Å; I20-L24 PolarHBondContact O-N 2.92Å; I20-L24 VanDerWaalsContact O-N 3.14Å; R21-L24 PolarHBondContact O-N 3.16Å; L24-R26 PolarHBondContact O-N 3.26Å; L24-R27 PolarHBondContact O-N 2.91Å; L24-L61 HydrophobicContact CD2-CD1 3.58Å; L24-L61 HydrophobicContact CG-CD1 4.39Å; L24-Y64 HydrophobicContact CD1-CE1 4.05Å; L24-Y64 HydrophobicContact CD2-CD1 4.34Å; L24-Y64 HydrophobicContact CD2-CE1 4.21Å; L24-F65 HydrophobicContact CD2-CE1 3.71Å; L24-F65 HydrophobicContact CD2-CZ 4.07Å; L24-W173 HydrophobicContact CD1-CZ3 4.47Å; L24-L174 HydrophobicContact CB-CD1 4.43Å; L24-L174 HydrophobicContact CB-CD2 4.11Å; L24-L174 HydrophobicContact CD1-CD1 3.63Å
25L91.4Very high90.3Very high48 Ų4840.4 Ų40.425%0.25118%0.184SC..Hα-helixtrans-60.8-28179.1-73.9176.9000114R21 R27 I170 E171 L174R21-L25 HydrophobicContact CG-CD1 4.3Å; R21-L25 WeakPolarHBondContact O-CG 3.33Å; R21-L25 PolarHBondContact O-N 3.41Å; L25-R27 PolarHBondContact O-N 2.87Å; L25-I170 HydrophobicContact CD2-CG2 4.03Å; L25-E171 HydrophobicContact CD2-CG 3.89Å; L25-L174 HydrophobicContact CD1-CD2 4.43Å; L25-L174 HydrophobicContact CD2-CD2 3.68Å; L25-L174 HydrophobicContact CG-CD2 3.64Å
26R88.8Confident90.5Very high133 Ų13338.9 Ų38.950%0.50218%0.176SC..THydrogen-bonded Turntrans-71-10.4175.9-73.5172.9-175.4-144.76.7113.8E22 I23 L24 Y28E22-R26 VanDerWaalsContact O-CG 3.3Å; E22-R26 WeakPolarHBondContact O-CG 3.45Å; E22-R26 PolarHBondContact O-N 3.11Å; I23-R26 PolarHBondContact O-N 3.42Å; L24-R26 PolarHBondContact O-N 3.26Å; R26-Y28 HydrophobicContact CB-CD2 3.74Å; R26-Y28 HydrophobicContact CB-CE2 3.6Å; R26-Y28 HydrophobicContact CB-CG 4.45Å; R26-Y28 HydrophobicContact CG-CE2 4.15Å; R26-Y28 PolarHBondContact NH1-OH 2.93Å; R26-Y28 PolarHBondContact O-N 3.36Å
27R88.2Confident90.5Very high48 Ų4842.1 Ų42.118%0.18119%0.189CC..THydrogen-bonded Turntrans54.931.3178.6-52.5-171.6-168-148.30.4114.4L24 L25 A29 I30 D169 I170L24-R27 PolarHBondContact O-N 2.91Å; L25-R27 PolarHBondContact O-N 2.87Å; R27-A29 PolarHBondContact O-N 3.28Å; R27-I30 HydrophobicContact CB-CD1 4.23Å; R27-I30 HydrophobicContact CB-CG1 4.23Å; R27-I30 HydrophobicContact CG-CD1 4.39Å; R27-D169 IonicContact CZ-OD1 2.85Å; R27-D169 IonicContact NH2-OD1 3.33Å; R27-D169 PolarHBondContact NH2-OD1 2.92Å; R27-I170 HydrophobicContact CG-CB 4.35Å; R27-I170 HydrophobicContact CG-CG1 4.45Å; R27-I170 HydrophobicContact CG-CG2 4.18Å; R27-I170 VanDerWaalsContact NE-CG2 3.33Å
28Y88.2Confident90.3Very high20 Ų2046.3 Ų46.38%0.07821%0.209CC..SBendtrans-56.5-36.7174.5-70.2-64.3000112.5I23 R26 F45 D51 L53I23-Y28 HydrophobicContact CG2-CD2 4.29Å; R26-Y28 HydrophobicContact CB-CD2 3.74Å; R26-Y28 HydrophobicContact CB-CE2 3.6Å; R26-Y28 HydrophobicContact CB-CG 4.45Å; R26-Y28 HydrophobicContact CG-CE2 4.15Å; R26-Y28 PolarHBondContact NH1-OH 2.93Å; R26-Y28 PolarHBondContact O-N 3.36Å; Y28-F45 WeakPolarHBondContact O-CD1 3.42Å; Y28-D51 WeakPolarHBondContact CE1-O 3.35Å; Y28-D51 PolarHBondContact OH-O 3.05Å; Y28-L53 HydrophobicContact CD1-CB 4.17Å; Y28-L53 HydrophobicContact CD2-CB 4.26Å; Y28-L53 HydrophobicContact CD2-CD1 3.75Å; Y28-L53 HydrophobicContact CD2-CD2 4.31Å; Y28-L53 HydrophobicContact CD2-CG 4.33Å; Y28-L53 HydrophobicContact CE1-CB 3.98Å; Y28-L53 HydrophobicContact CE2-CB 4.04Å; Y28-L53 HydrophobicContact CE2-CD1 3.85Å; Y28-L53 HydrophobicContact CE2-CG 4.45Å; Y28-L53 HydrophobicContact CG-CB 4.3Å; Y28-L53 HydrophobicContact CG-CD1 4.36Å; Y28-L53 HydrophobicContact CG-CD2 4.11Å; Y28-L53 HydrophobicContact CG-CG 4.5Å
29A91.2Very high90.1Very high2 Ų247.3 Ų47.32%0.01721%0.214CC..SBendtrans-147.9151.6163.200000108.4R27 I43 I44 F45 L61 M62 F65R27-A29 PolarHBondContact O-N 3.28Å; A29-I43 HydrophobicContact CB-CG2 4.14Å; A29-I44 CarbonylContact C-O 3.54Å; A29-I44 VanDerWaalsContact CA-O 3.27Å; A29-I44 WeakPolarHBondContact CA-O 3.47Å; A29-F45 HydrophobicContact CB-CD1 3.87Å; A29-F45 HydrophobicContact CB-CD2 4.41Å; A29-F45 HydrophobicContact CB-CE1 3.76Å; A29-F45 HydrophobicContact CB-CE2 4.3Å; A29-F45 HydrophobicContact CB-CG 4.2Å; A29-F45 HydrophobicContact CB-CZ 3.99Å; A29-L61 HydrophobicContact CB-CD2 4.29Å; A29-M62 HydrophobicContact CB-CE 4.1Å; A29-F65 HydrophobicContact CB-CE2 3.9Å
30I92Very high90Very high2 Ų243.2 Ų43.21%0.0119%0.19CC..BIsolated β-bridgetrans-119.3137.7-178.2-62.2177.7000109R27 T32 I43 I44 Q46 F168R27-I30 HydrophobicContact CB-CD1 4.23Å; R27-I30 HydrophobicContact CB-CG1 4.23Å; R27-I30 HydrophobicContact CG-CD1 4.39Å; I30-T32 HydrophobicContact CG2-CG2 3.8Å; I30-I43 WeakPolarHBondContact O-CA 3.49Å; I30-I44 HydrophobicContact CB-CB 4.47Å; I30-I44 PolarHBondContact N-O 2.98Å; I30-I44 PolarHBondContact O-N 3.29Å; I30-Q46 HydrophobicContact CD1-CG 4.01Å; I30-F168 HydrophobicContact CD1-CD1 4.41Å; I30-F168 HydrophobicContact CD1-CE1 4.21Å; I30-F168 HydrophobicContact CG2-CD1 3.97Å; I30-F168 HydrophobicContact CG2-CE1 3.38Å; I30-F168 HydrophobicContact CG2-CE2 4.39Å; I30-F168 HydrophobicContact CG2-CZ 3.63Å
31F92.3Very high90Very high4 Ų442.9 Ų42.92%0.01819%0.189CC..  trans-117.6106.9167.5-177.2-83.1000107.8L42 I43 F65 L68 F79 W173 F305F31-L42 WeakPolarHBondContact CD2-O 3.33Å; F31-I43 HydrophobicContact CD2-CG1 4.02Å; F31-F65 HydrophobicContact CB-CD1 3.63Å; F31-F65 HydrophobicContact CB-CD2 4.25Å; F31-F65 HydrophobicContact CB-CE1 3.54Å; F31-F65 HydrophobicContact CB-CE2 4.17Å; F31-F65 HydrophobicContact CB-CG 4Å; F31-F65 HydrophobicContact CB-CZ 3.83Å; F31-F65 HydrophobicContact CD2-CB 4.4Å; F31-F65 HydrophobicContact CD2-CG 4.44Å; F31-F65 HydrophobicContact CG-CD1 4.26Å; F31-F65 HydrophobicContact CG-CG 4.49Å; F31-L68 HydrophobicContact CB-CD1 4.39Å; F31-L68 HydrophobicContact CD1-CB 4.46Å; F31-L68 HydrophobicContact CD1-CD1 3.45Å; F31-L68 VanDerWaalsContact CD1-CD1 3.45Å; F31-L68 HydrophobicContact CE1-CB 3.99Å; F31-L68 HydrophobicContact CE1-CD1 3.8Å; F31-L68 HydrophobicContact CG-CD1 3.9Å; F31-L68 HydrophobicContact CZ-CB 4.06Å; F31-F79 HydrophobicContact CD2-CE1 4.44Å; F31-F79 AromaticContact CE2-CE1 3.95Å; F31-F79 HydrophobicContact CE2-CE1 3.95Å; F31-W173 HydrophobicContact CD1-CZ2 4.39Å; F31-F305 HydrophobicContact CD1-CZ 4.46Å; F31-F305 HydrophobicContact CE1-CD2 4.36Å; F31-F305 HydrophobicContact CE1-CE1 4.23Å; F31-F305 AromaticContact CE1-CE2 3.74Å; F31-F305 HydrophobicContact CE1-CE2 3.74Å; F31-F305 AromaticContact CE1-CZ 3.67Å; F31-F305 HydrophobicContact CE1-CZ 3.67Å; F31-F305 HydrophobicContact CZ-CE2 4.32Å
32T89.3Confident90Very high1 Ų137.6 Ų37.61%0.00617%0.169CC..  trans-83.6-17.4-176.858.70000113I30 G34 I44 T159 L166 F168 D302I30-T32 HydrophobicContact CG2-CG2 3.8Å; T32-G34 VanDerWaalsContact C-N 3.29Å; T32-G34 PolarHBondContact OG1-N 3.06Å; T32-G34 VanDerWaalsContact OG1-N 3.08Å; T32-I44 HydrophobicContact CG2-CD1 4.41Å; T32-T159 HydrophobicContact CG2-CG2 3.92Å; T32-L166 HydrophobicContact CG2-CD2 3.95Å; T32-F168 HydrophobicContact CG2-CD2 3.77Å; T32-F168 HydrophobicContact CG2-CE2 4.03Å; T32-F168 HydrophobicContact CG2-CG 4.04Å; T32-D302 VanDerWaalsContact O-CA 3.24Å; T32-D302 WeakPolarHBondContact O-CA 3.31Å; T32-D302 WeakPolarHBondContact O-CB 3.3Å
33G88Confident90.2Very high9 Ų930.9 Ų30.99%0.09314%0.138CC..SBendtrans85.7-2.8-16400000114
34G89Confident90.3Very high1 Ų129.5 Ų29.51%0.0113%0.131CC..  trans-71.9164.8171.500000113.7T32 L42 V301T32-G34 VanDerWaalsContact C-N 3.29Å; T32-G34 PolarHBondContact OG1-N 3.06Å; T32-G34 VanDerWaalsContact OG1-N 3.08Å; G34-L42 PolarHBondContact O-N 3.23Å; G34-V301 VanDerWaalsContact CA-CG1 3.47Å
35H91.1Very high90.3Very high47 Ų4729.5 Ų29.522%0.21813%0.131CC..BIsolated β-bridgetrans-138.2163.3-179.757.871.1000111.4F39 R40 H157H35-F39 AromaticContact CE1-CD1 3.51Å; H35-F39 AromaticContact CE1-CE1 3.67Å; H35-F39 AromaticContact ND1-CD1 3.74Å; H35-F39 AromaticContact NE2-CD1 3.77Å; H35-R40 CarbonylContact C-O 3.43Å; H35-R40 WeakPolarHBondContact CA-O 3.38Å; H35-R40 VanDerWaalsContact CB-O 3.27Å; H35-R40 WeakPolarHBondContact CB-O 3.48Å; H35-H157 AromaticContact CD2-CE1 3.94Å; H35-H157 AromaticContact CE1-CE1 3.5Å; H35-H157 PolarHBondContact CE1-CE1 3.29Å; H35-H157 VanDerWaalsContact CE1-CE1 3.5Å; H35-H157 AromaticContact CE1-NE2 3.35Å; H35-H157 PolarHBondContact CE1-NE2 3.48Å; H35-H157 AromaticContact ND1-NE2 3.9Å; H35-H157 AromaticContact NE2-CE1 3.42Å; H35-H157 PolarHBondContact NE2-CE1 2.92Å; H35-H157 AromaticContact NE2-NE2 3.76Å
36D91.1Very high89.9Confident1 Ų128.4 Ų28.41%0.00512%0.124CC..  trans-78.8-179.8165.465.916.6000112E38 F39 R40 L42 T80 Q110 I153D36-E38 PolarHBondContact O-N 2.97Å; D36-E38 PolarHBondContact OD1-N 3.41Å; D36-F39 WeakPolarHBondContact O-CA 3.37Å; D36-F39 PolarHBondContact O-N 2.97Å; D36-F39 PolarHBondContact OD1-N 3.26Å; D36-R40 PolarHBondContact N-O 3.48Å; D36-R40 WeakPolarHBondContact OD1-CB 3.48Å; D36-R40 PolarHBondContact OD1-N 3.3Å; D36-R40 IonicContact OD1-NE 2.59Å; D36-R40 PolarHBondContact OD1-NE 2.89Å; D36-R40 IonicContact OD1-NH2 3.75Å; D36-R40 IonicContact OD2-CZ 2.94Å; D36-R40 VanDerWaalsContact OD2-CZ 3.28Å; D36-R40 IonicContact OD2-NE 2.76Å; D36-R40 PolarHBondContact OD2-NE 3.14Å; D36-R40 IonicContact OD2-NH2 2.68Å; D36-R40 PolarHBondContact OD2-NH2 3.48Å; D36-L42 HydrophobicContact CB-CD2 4.39Å; D36-T80 WeakPolarHBondContact OD2-CB 3.42Å; D36-T80 PolarHBondContact OD2-OG1 3.29Å; D36-Q110 PolarHBondContact OD2-NE2 3.1Å; D36-I153 HydrophobicContact CB-CG1 3.9Å
37K89.9Confident89Confident80 Ų8023.8 Ų23.835%0.34811%0.11SC..THydrogen-bonded Turntrans-67.4-14.9-177.6-75.1169.7-173.1-1800114.1F39 L150 P151 F152 D154K37-F39 VanDerWaalsContact C-N 3.34Å; K37-L150 PolarHBondContact NZ-O 3.49Å; K37-P151 VanDerWaalsContact CD-O 3.29Å; K37-P151 WeakPolarHBondContact CD-O 3.4Å; K37-P151 PolarHBondContact NZ-O 2.84Å; K37-F152 WeakPolarHBondContact CB-O 3.5Å; K37-F152 VanDerWaalsContact CG-O 3.3Å; K37-F152 WeakPolarHBondContact CG-O 3.39Å; K37-F152 PolarHBondContact N-O 3.36Å; K37-D154 WeakPolarHBondContact CE-OD1 3.42Å; K37-D154 WeakPolarHBondContact CE-OD2 3.44Å; K37-D154 WeakPolarHBondContact CG-OD2 3.41Å; K37-D154 IonicContact NZ-OD1 2.69Å; K37-D154 PolarHBondContact NZ-OD1 3.13Å
38E88.5Confident88.1Confident89 Ų8929.6 Ų29.642%0.41613%0.131SC..THydrogen-bonded Turntrans-94.39.5172-59.582.4176.100112.7D36 R40D36-E38 PolarHBondContact O-N 2.97Å; D36-E38 PolarHBondContact OD1-N 3.41Å; E38-R40 VanDerWaalsContact C-N 3.3Å; E38-R40 HydrophobicContact CB-CG 4.49Å; E38-R40 PolarHBondContact O-N 3.34Å; E38-R40 IonicContact OE1-NH2 2.78Å; E38-R40 IonicContact OE2-CZ 3.25Å; E38-R40 IonicContact OE2-NH2 2.83Å; E38-R40 PolarHBondContact OE2-NH2 2.91Å
39F87.6Confident87Confident110 Ų11029.4 Ų29.448%0.48214%0.136SC..  trans64.224.5179.7-56.5-85.7000115H35 D36 K37H35-F39 AromaticContact CE1-CD1 3.51Å; H35-F39 AromaticContact CE1-CE1 3.67Å; H35-F39 AromaticContact ND1-CD1 3.74Å; H35-F39 AromaticContact NE2-CD1 3.77Å; D36-F39 WeakPolarHBondContact O-CA 3.37Å; D36-F39 PolarHBondContact O-N 2.97Å; D36-F39 PolarHBondContact OD1-N 3.26Å; K37-F39 VanDerWaalsContact C-N 3.34Å
40R88.5Confident86.2Confident16 Ų1630 Ų306%0.0614%0.139CC..PPolyproline II helixtrans-82.7136.4173.3-59.7172.7-72.7-148-4.3110.2H35 D36 E38 V76 E78 H109 Q110H35-R40 CarbonylContact C-O 3.43Å; H35-R40 WeakPolarHBondContact CA-O 3.38Å; H35-R40 VanDerWaalsContact CB-O 3.27Å; H35-R40 WeakPolarHBondContact CB-O 3.48Å; D36-R40 PolarHBondContact N-O 3.48Å; D36-R40 WeakPolarHBondContact OD1-CB 3.48Å; D36-R40 PolarHBondContact OD1-N 3.3Å; D36-R40 IonicContact OD1-NE 2.59Å; D36-R40 PolarHBondContact OD1-NE 2.89Å; D36-R40 IonicContact OD1-NH2 3.75Å; D36-R40 IonicContact OD2-CZ 2.94Å; D36-R40 VanDerWaalsContact OD2-CZ 3.28Å; D36-R40 IonicContact OD2-NE 2.76Å; D36-R40 PolarHBondContact OD2-NE 3.14Å; D36-R40 IonicContact OD2-NH2 2.68Å; D36-R40 PolarHBondContact OD2-NH2 3.48Å; E38-R40 VanDerWaalsContact C-N 3.3Å; E38-R40 HydrophobicContact CB-CG 4.49Å; E38-R40 PolarHBondContact O-N 3.34Å; E38-R40 IonicContact OE1-NH2 2.78Å; E38-R40 IonicContact OE2-CZ 3.25Å; E38-R40 IonicContact OE2-NH2 2.83Å; E38-R40 PolarHBondContact OE2-NH2 2.91Å; R40-V76 HydrophobicContact CG-CG1 3.74Å; R40-E78 CarbonylContact C-O 3.53Å; R40-E78 WeakPolarHBondContact CA-O 3.17Å; R40-E78 WeakPolarHBondContact CB-O 3.19Å; R40-E78 HydrophobicContact CG-CB 4.11Å; R40-H109 PolarHBondContact NH1-CD2 3.36Å; R40-H109 PolarHBondContact NH1-CE1 2.87Å; R40-H109 PolarHBondContact NH1-ND1 2.84Å; R40-H109 PolarHBondContact NH1-NE2 3.19Å; R40-Q110 VanDerWaalsContact NH2-NE2 3.14Å
41S90.4Very high85.2Confident4 Ų436.1 Ų36.13%0.02817%0.172CC..EExtended strand (participates in β ladder)trans-69136.3-172.6-50.40000112.3S69 E78 F79 T80S41-S69 PolarHBondContact OG-OG 2.82Å; S41-E78 PolarHBondContact N-O 2.95Å; S41-F79 VanDerWaalsContact O-CA 3.29Å; S41-F79 WeakPolarHBondContact O-CA 3.36Å; S41-T80 PolarHBondContact O-N 3.26Å
42L92.3Very high84.4Confident1 Ų139.3 Ų39.31%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-85.6136.8-179.3-63177000113F31 G34 D36 T80 I153 H157F31-L42 WeakPolarHBondContact CD2-O 3.33Å; G34-L42 PolarHBondContact O-N 3.23Å; D36-L42 HydrophobicContact CB-CD2 4.39Å; L42-T80 WeakPolarHBondContact CA-O 3.32Å; L42-T80 HydrophobicContact CD2-CG2 3.81Å; L42-I153 HydrophobicContact CD1-CD1 4.34Å; L42-I153 HydrophobicContact CD1-CG2 3.8Å; L42-I153 HydrophobicContact CD2-CD1 3.74Å; L42-I153 HydrophobicContact CD2-CG1 4.42Å; L42-H157 HydrophobicContact CD1-CB 4.14Å
43I94Very high84Confident0 Ų039.6 Ų39.60%021%0.207CC..EExtended strand (participates in β ladder)trans-124.9126.4164-67.8168000108.3A29 I30 F31 F45 F65 F79 T80 V81 I82 F104A29-I43 HydrophobicContact CB-CG2 4.14Å; I30-I43 WeakPolarHBondContact O-CA 3.49Å; F31-I43 HydrophobicContact CD2-CG1 4.02Å; I43-F45 HydrophobicContact CG2-CD2 4.21Å; I43-F45 HydrophobicContact CG2-CE2 3.77Å; I43-F45 HydrophobicContact CG2-CZ 4.47Å; I43-F65 HydrophobicContact CD1-CB 4.11Å; I43-F65 HydrophobicContact CD1-CD2 3.99Å; I43-F65 HydrophobicContact CG1-CD2 4.05Å; I43-F65 HydrophobicContact CG2-CD2 4.27Å; I43-F65 HydrophobicContact CG2-CE2 4.32Å; I43-F79 HydrophobicContact CD1-CD1 3.44Å; I43-F79 VanDerWaalsContact CD1-CD1 3.44Å; I43-F79 HydrophobicContact CD1-CE1 3.73Å; I43-F79 HydrophobicContact CD1-CG 4.27Å; I43-F79 HydrophobicContact CG1-CD1 3.89Å; I43-F79 HydrophobicContact CG1-CE1 4.25Å; I43-T80 PolarHBondContact N-O 3.47Å; I43-T80 VanDerWaalsContact N-O 3.16Å; I43-V81 HydrophobicContact CB-CG2 4.08Å; I43-V81 HydrophobicContact CG2-CG2 4.46Å; I43-V81 CarbonylContact O-C 3.56Å; I43-V81 VanDerWaalsContact O-CA 3.32Å; I43-V81 WeakPolarHBondContact O-CA 3.48Å; I43-I82 PolarHBondContact O-N 3.29Å; I43-F104 HydrophobicContact CD1-CE2 3.77Å; I43-F104 HydrophobicContact CD1-CZ 3.85Å
44I93.6Very high83.9Confident1 Ų140.9 Ų40.91%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-112.5117.1-176.5-62.8165.5000109.5A29 I30 T32 Q46 I82 T159 L162A29-I44 CarbonylContact C-O 3.54Å; A29-I44 VanDerWaalsContact CA-O 3.27Å; A29-I44 WeakPolarHBondContact CA-O 3.47Å; I30-I44 HydrophobicContact CB-CB 4.47Å; I30-I44 PolarHBondContact N-O 2.98Å; I30-I44 PolarHBondContact O-N 3.29Å; T32-I44 HydrophobicContact CG2-CD1 4.41Å; I44-Q46 HydrophobicContact CG2-CG 4.29Å; I44-I82 HydrophobicContact CG1-CB 4.42Å; I44-I82 HydrophobicContact CG1-CD1 4.29Å; I44-T159 HydrophobicContact CD1-CG2 4.28Å; I44-L162 HydrophobicContact CD1-CD1 3.95Å; I44-L162 HydrophobicContact CG1-CD1 4.16Å; I44-L162 HydrophobicContact CG2-CD1 3.84Å
45F92.2Very high83.7Confident2 Ų244 Ų441%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-89.4109.1166.3-70.4-97.6000108.7Y28 A29 I43 L50 Y58 M62 V81 I82 I83 D84 I96 L100Y28-F45 WeakPolarHBondContact O-CD1 3.42Å; A29-F45 HydrophobicContact CB-CD1 3.87Å; A29-F45 HydrophobicContact CB-CD2 4.41Å; A29-F45 HydrophobicContact CB-CE1 3.76Å; A29-F45 HydrophobicContact CB-CE2 4.3Å; A29-F45 HydrophobicContact CB-CG 4.2Å; A29-F45 HydrophobicContact CB-CZ 3.99Å; I43-F45 HydrophobicContact CG2-CD2 4.21Å; I43-F45 HydrophobicContact CG2-CE2 3.77Å; I43-F45 HydrophobicContact CG2-CZ 4.47Å; F45-L50 HydrophobicContact CD1-CD2 4.46Å; F45-L50 HydrophobicContact CE1-CD2 4.5Å; F45-Y58 HydrophobicContact CE1-CE2 4.3Å; F45-Y58 HydrophobicContact CZ-CE2 4.33Å; F45-M62 HydrophobicContact CE1-CE 4.24Å; F45-M62 HydrophobicContact CZ-CE 3.74Å; F45-M62 HydrophobicContact CZ-SD 4.26Å; F45-V81 HydrophobicContact CD2-CG1 3.69Å; F45-V81 HydrophobicContact CE2-CG1 3.83Å; F45-I82 PolarHBondContact N-O 2.67Å; F45-I83 HydrophobicContact CB-CG1 4.34Å; F45-I83 HydrophobicContact CB-CG2 4.32Å; F45-I83 HydrophobicContact CD2-CG1 4.31Å; F45-D84 PolarHBondContact O-N 3.38Å; F45-I96 HydrophobicContact CB-CD1 4.31Å; F45-I96 HydrophobicContact CD1-CD1 4.14Å; F45-I96 HydrophobicContact CD1-CG1 4.18Å; F45-I96 HydrophobicContact CD1-CG2 3.76Å; F45-I96 HydrophobicContact CD2-CG2 4.02Å; F45-I96 HydrophobicContact CE1-CG2 3.81Å; F45-I96 HydrophobicContact CE2-CG2 4.07Å; F45-I96 HydrophobicContact CG-CD1 4.43Å; F45-I96 HydrophobicContact CG-CG2 3.87Å; F45-I96 HydrophobicContact CZ-CG2 3.97Å; F45-L100 HydrophobicContact CE2-CD1 3.94Å; F45-L100 HydrophobicContact CE2-CD2 4.1Å; F45-L100 HydrophobicContact CE2-CG 4.43Å; F45-L100 HydrophobicContact CZ-CD1 4.34Å; F45-L100 HydrophobicContact CZ-CD2 4.08Å; F45-L100 HydrophobicContact CZ-CG 4.4Å
46Q82.6Confident83.5Confident26 Ų2647.1 Ų47.112%0.12126%0.255CS..  trans-75.7157.7174.9-72.7-167.3-41.800111.5I30 I44 R48 D161I30-Q46 HydrophobicContact CD1-CG 4.01Å; I44-Q46 HydrophobicContact CG2-CG 4.29Å; Q46-R48 PolarHBondContact O-N 3.15Å; Q46-D161 PolarHBondContact NE2-OD2 3.19Å
47D70.2Confident83.3Confident36 Ų3649 Ų4919%0.19327%0.268CS..THydrogen-bonded Turntrans-7847.3-173-1577.3000114.2D84 R86 T87 G88D47-D84 HydrophobicContact CB-CB 4.16Å; D47-R86 PolarHBondContact OD2-N 2.72Å; D47-T87 VanDerWaalsContact OD2-CA 3.25Å; D47-T87 WeakPolarHBondContact OD2-CA 3.43Å; D47-T87 WeakPolarHBondContact OD2-CB 3.5Å; D47-T87 PolarHBondContact OD2-N 2.76Å; D47-T87 PolarHBondContact OD2-OG1 3.06Å; D47-G88 VanDerWaalsContact CG-N 3.31Å; D47-G88 WeakPolarHBondContact OD1-CA 3.29Å; D47-G88 PolarHBondContact OD1-N 3.34Å; D47-G88 PolarHBondContact OD2-N 2.92Å
48R67.4Low83.3Confident169 Ų16945.3 Ų45.364%0.63825%0.252SS*.THydrogen-bonded Turntrans-109.62.1179.2-62-174.9178.8-156.9-2113.1Q46Q46-R48 PolarHBondContact O-N 3.15Å
49G65.9Low83.3Confident17 Ų1743.4 Ų43.418%0.17524%0.244CC..  trans73.5-174.5-177.400000114.3
50L74.2Confident83.4Confident14 Ų1442.9 Ų42.97%0.07324%0.242CC..  trans-109.816.4177-67-176.2000112.3F45 G52 L53 V92 I96F45-L50 HydrophobicContact CD1-CD2 4.46Å; F45-L50 HydrophobicContact CE1-CD2 4.5Å; L50-G52 PolarHBondContact O-N 3.13Å; L50-L53 HydrophobicContact CD2-CD2 4.06Å; L50-L53 WeakPolarHBondContact O-CB 3.39Å; L50-L53 PolarHBondContact O-N 2.88Å; L50-V92 HydrophobicContact CB-CG1 4.12Å; L50-V92 HydrophobicContact CD1-CG1 4.42Å; L50-V92 HydrophobicContact CG-CG1 3.91Å; L50-I96 HydrophobicContact CD1-CG1 3.52Å; L50-I96 HydrophobicContact CD2-CG1 4.09Å; L50-I96 HydrophobicContact CG-CD1 4.33Å; L50-I96 HydrophobicContact CG-CG1 3.76Å
51D71Confident83.5Confident131 Ų13142.2 Ų42.270%0.70124%0.239SC*.THydrogen-bonded Turntrans-66.4125-168.2-69.3-7.5000111.3Y28 L53Y28-D51 WeakPolarHBondContact CE1-O 3.35Å; Y28-D51 PolarHBondContact OH-O 3.05Å; D51-L53 VanDerWaalsContact C-N 3.34Å
52G74.7Confident83.6Confident70 Ų7042 Ų4272%0.72224%0.238SC*.THydrogen-bonded Turntrans82.4-3.9-17200000115.7L50 G54L50-G52 PolarHBondContact O-N 3.13Å; G52-G54 PolarHBondContact O-N 3.35Å
53L82.6Confident83.4Confident8 Ų845.9 Ų45.94%0.04226%0.256CS..  trans-86.192.7174.7-169.871000111.5I23 Y28 L50 D51 Y58 R99I23-L53 HydrophobicContact CG2-CD1 3.93Å; Y28-L53 HydrophobicContact CD1-CB 4.17Å; Y28-L53 HydrophobicContact CD2-CB 4.26Å; Y28-L53 HydrophobicContact CD2-CD1 3.75Å; Y28-L53 HydrophobicContact CD2-CD2 4.31Å; Y28-L53 HydrophobicContact CD2-CG 4.33Å; Y28-L53 HydrophobicContact CE1-CB 3.98Å; Y28-L53 HydrophobicContact CE2-CB 4.04Å; Y28-L53 HydrophobicContact CE2-CD1 3.85Å; Y28-L53 HydrophobicContact CE2-CG 4.45Å; Y28-L53 HydrophobicContact CG-CB 4.3Å; Y28-L53 HydrophobicContact CG-CD1 4.36Å; Y28-L53 HydrophobicContact CG-CD2 4.11Å; Y28-L53 HydrophobicContact CG-CG 4.5Å; L50-L53 HydrophobicContact CD2-CD2 4.06Å; L50-L53 WeakPolarHBondContact O-CB 3.39Å; L50-L53 PolarHBondContact O-N 2.88Å; D51-L53 VanDerWaalsContact C-N 3.34Å; L53-Y58 HydrophobicContact CD2-CD2 3.87Å; L53-Y58 HydrophobicContact CD2-CG 4.39Å; L53-R99 PolarHBondContact O-NH1 2.86Å; L53-R99 PolarHBondContact O-NH2 2.83Å; L53-R99 VanDerWaalsContact O-NH2 3.09Å
54G84.2Confident83.3Confident35 Ų3545.9 Ų45.936%0.36126%0.256SS..  trans-59.7158.5171.100000113G52 D56 S57 Y58G52-G54 PolarHBondContact O-N 3.35Å; G54-D56 PolarHBondContact O-N 2.97Å; G54-S57 PolarHBondContact O-N 3.4Å; G54-Y58 PolarHBondContact O-N 3.37Å
55D85Confident83.2Confident66 Ų6645.9 Ų45.935%0.35326%0.256SS..Hα-helixtrans-59.9-41.7-174.5-8933.1000112.8Y58 I59 R99 K103D55-Y58 WeakPolarHBondContact O-CB 3.43Å; D55-Y58 PolarHBondContact O-N 2.97Å; D55-I59 VanDerWaalsContact O-CG1 3.3Å; D55-I59 WeakPolarHBondContact O-CG1 3.17Å; D55-I59 PolarHBondContact O-N 3.43Å; D55-R99 IonicContact OD1-CZ 3.85Å; D55-R99 IonicContact OD1-NE 3.51Å; D55-R99 IonicContact OD1-NH2 3.59Å; D55-R99 PolarHBondContact OD1-NH2 3.31Å; D55-K103 IonicContact OD2-NZ 2.99Å; D55-K103 PolarHBondContact OD2-NZ 3.12Å
56D86.7Confident82.9Confident114 Ų11447 Ų4761%0.6126%0.264SS*.Hα-helixtrans-65.3-43.7178-54.2-44.5000111.5G54 Y58 I59 F60G54-D56 PolarHBondContact O-N 2.97Å; D56-Y58 VanDerWaalsContact C-N 3.29Å; D56-Y58 PolarHBondContact O-N 2.89Å; D56-I59 PolarHBondContact O-N 3.41Å; D56-I59 VanDerWaalsContact O-N 3.13Å; D56-F60 HydrophobicContact CB-CE2 4.19Å; D56-F60 WeakPolarHBondContact O-CD2 3.23Å; D56-F60 WeakPolarHBondContact O-CG 3.15Å; D56-F60 PolarHBondContact O-N 3.15Å
57S88.1Confident82.9Confident41 Ų4147 Ų4729%0.28727%0.267SS..Hα-helixtrans-62.5-35.3176-52.60000112.6G54 L61G54-S57 PolarHBondContact O-N 3.4Å; S57-L61 WeakPolarHBondContact O-CB 3.32Å; S57-L61 PolarHBondContact O-N 3.45Å; S57-L61 VanDerWaalsContact O-N 3.15Å
58Y89.9Confident83.6Confident1 Ų145.4 Ų45.40%0.00426%0.258CS..Hα-helixtrans-66.6-44.8171.5174.8-91.2000111.4F45 L53 G54 D55 D56 L61 M62 R99 L100 K103F45-Y58 HydrophobicContact CE1-CE2 4.3Å; F45-Y58 HydrophobicContact CZ-CE2 4.33Å; L53-Y58 HydrophobicContact CD2-CD2 3.87Å; L53-Y58 HydrophobicContact CD2-CG 4.39Å; G54-Y58 PolarHBondContact O-N 3.37Å; D55-Y58 WeakPolarHBondContact O-CB 3.43Å; D55-Y58 PolarHBondContact O-N 2.97Å; D56-Y58 VanDerWaalsContact C-N 3.29Å; D56-Y58 PolarHBondContact O-N 2.89Å; Y58-L61 PolarHBondContact O-N 3.19Å; Y58-M62 HydrophobicContact CD1-CG 4.23Å; Y58-M62 HydrophobicContact CD2-CE 4.43Å; Y58-M62 HydrophobicContact CD2-CG 4.38Å; Y58-M62 HydrophobicContact CE1-CG 3.77Å; Y58-M62 HydrophobicContact CE2-CE 4.02Å; Y58-M62 HydrophobicContact CE2-CG 3.97Å; Y58-M62 HydrophobicContact CE2-SD 4.25Å; Y58-M62 WeakPolarHBondContact O-CG 3.49Å; Y58-M62 PolarHBondContact O-N 2.93Å; Y58-R99 HydrophobicContact CD1-CB 4.44Å; Y58-R99 HydrophobicContact CE1-CB 3.78Å; Y58-R99 HydrophobicContact CE1-CG 4.49Å; Y58-R99 HydrophobicContact CE2-CB 4.18Å; Y58-L100 WeakPolarHBondContact OH-CD2 3.29Å; Y58-L100 WeakPolarHBondContact OH-CG 3.36Å; Y58-L100 PolarHBondContact OH-N 3.06Å; Y58-K103 HydrophobicContact CE1-CB 4.28Å
59I88.5Confident83.9Confident49 Ų4937.5 Ų37.525%0.25123%0.229SC..Hα-helixtrans-60.9-48.1177.8-70.4163.4000110.7D55 D56 L61 M62 Q63D55-I59 VanDerWaalsContact O-CG1 3.3Å; D55-I59 WeakPolarHBondContact O-CG1 3.17Å; D55-I59 PolarHBondContact O-N 3.43Å; D56-I59 PolarHBondContact O-N 3.41Å; D56-I59 VanDerWaalsContact O-N 3.13Å; I59-L61 VanDerWaalsContact C-N 3.35Å; I59-L61 PolarHBondContact O-N 2.9Å; I59-M62 PolarHBondContact O-N 3.09Å; I59-Q63 HydrophobicContact CG2-CG 4.2Å; I59-Q63 WeakPolarHBondContact O-CB 3.24Å; I59-Q63 VanDerWaalsContact O-CG 3.27Å; I59-Q63 WeakPolarHBondContact O-CG 3.38Å; I59-Q63 PolarHBondContact O-N 2.87Å
60F89.2Confident83.9Confident100 Ų10038.7 Ų38.744%0.43924%0.237SC..Hα-helixtrans-60.5-41.1177.3-67.9-53.4000112.6I15 I20 D56 Q63 Y64I15-F60 HydrophobicContact CD1-CD1 3.96Å; I20-F60 HydrophobicContact CG2-CB 4.34Å; D56-F60 HydrophobicContact CB-CE2 4.19Å; D56-F60 WeakPolarHBondContact O-CD2 3.23Å; D56-F60 WeakPolarHBondContact O-CG 3.15Å; D56-F60 PolarHBondContact O-N 3.15Å; F60-Q63 PolarHBondContact O-N 3.41Å; F60-Y64 WeakPolarHBondContact O-CB 3.43Å; F60-Y64 PolarHBondContact O-N 2.77Å
61L91.4Very high83.3Confident1 Ų141.4 Ų41.41%0.00525%0.247CC..Hα-helixtrans-62.8-46.1176.7-177.464.3000111.9I20 I23 L24 A29 S57 Y58 I59 Y64 F65I20-L61 HydrophobicContact CD1-CD1 4.3Å; I23-L61 HydrophobicContact CG2-CB 4.2Å; I23-L61 HydrophobicContact CG2-CD1 4.18Å; I23-L61 HydrophobicContact CG2-CD2 4.06Å; I23-L61 HydrophobicContact CG2-CG 4.38Å; L24-L61 HydrophobicContact CD2-CD1 3.58Å; L24-L61 HydrophobicContact CG-CD1 4.39Å; A29-L61 HydrophobicContact CB-CD2 4.29Å; S57-L61 WeakPolarHBondContact O-CB 3.32Å; S57-L61 PolarHBondContact O-N 3.45Å; S57-L61 VanDerWaalsContact O-N 3.15Å; Y58-L61 PolarHBondContact O-N 3.19Å; I59-L61 VanDerWaalsContact C-N 3.35Å; I59-L61 PolarHBondContact O-N 2.9Å; L61-Y64 PolarHBondContact O-N 2.95Å; L61-F65 HydrophobicContact CD1-CE1 3.96Å; L61-F65 HydrophobicContact CD1-CE2 4.05Å; L61-F65 HydrophobicContact CD1-CZ 3.67Å; L61-F65 HydrophobicContact CG-CE2 4.09Å; L61-F65 HydrophobicContact CG-CZ 4.23Å; L61-F65 WeakPolarHBondContact O-CG 3.23Å; L61-F65 PolarHBondContact O-N 3.44Å
62M91.2Very high82.5Confident0 Ų036.6 Ų36.60%022%0.22CC..Hα-helixtrans-70.2-36179.1-63.2-63.1120.200112.2A29 F45 Y58 I59 F65 S66 L100 F104 P105A29-M62 HydrophobicContact CB-CE 4.1Å; F45-M62 HydrophobicContact CE1-CE 4.24Å; F45-M62 HydrophobicContact CZ-CE 3.74Å; F45-M62 HydrophobicContact CZ-SD 4.26Å; Y58-M62 HydrophobicContact CD1-CG 4.23Å; Y58-M62 HydrophobicContact CD2-CE 4.43Å; Y58-M62 HydrophobicContact CD2-CG 4.38Å; Y58-M62 HydrophobicContact CE1-CG 3.77Å; Y58-M62 HydrophobicContact CE2-CE 4.02Å; Y58-M62 HydrophobicContact CE2-CG 3.97Å; Y58-M62 HydrophobicContact CE2-SD 4.25Å; Y58-M62 WeakPolarHBondContact O-CG 3.49Å; Y58-M62 PolarHBondContact O-N 2.93Å; I59-M62 PolarHBondContact O-N 3.09Å; M62-F65 HydrophobicContact CE-CD2 4.26Å; M62-F65 HydrophobicContact CE-CE2 4.42Å; M62-S66 WeakPolarHBondContact O-CB 3.33Å; M62-S66 PolarHBondContact O-N 3.12Å; M62-L100 HydrophobicContact SD-CD2 4.27Å; M62-F104 HydrophobicContact CB-CD2 4.1Å; M62-F104 HydrophobicContact CB-CE2 4.33Å; M62-F104 HydrophobicContact CG-CD2 4.15Å; M62-F104 HydrophobicContact SD-CD2 3.74Å; M62-F104 HydrophobicContact SD-CE2 3.77Å; M62-P105 HydrophobicContact CB-CG 4.21Å
63Q88.9Confident81.3Confident82 Ų8239.5 Ų39.538%0.38322%0.219SC..Hα-helixtrans-64.1-43.1172.8-76.4175.9-14.600111.6I15 I59 F60 S66 S67 P105I15-Q63 HydrophobicContact CD1-CB 3.72Å; I59-Q63 HydrophobicContact CG2-CG 4.2Å; I59-Q63 WeakPolarHBondContact O-CB 3.24Å; I59-Q63 VanDerWaalsContact O-CG 3.27Å; I59-Q63 WeakPolarHBondContact O-CG 3.38Å; I59-Q63 PolarHBondContact O-N 2.87Å; F60-Q63 PolarHBondContact O-N 3.41Å; Q63-S66 PolarHBondContact O-N 3.07Å; Q63-S67 PolarHBondContact O-N 3.23Å; Q63-P105 HydrophobicContact CG-CB 4.27Å; Q63-P105 HydrophobicContact CG-CG 4.01Å
64Y91.3Very high79.7Confident0 Ų040.5 Ų40.50%023%0.225CC..Hα-helixtrans-60.4-51.7174.8174.2-105.7000111.4I15 A17 I20 L24 F60 L61 S66 S67 L68 W173 R177I15-Y64 HydrophobicContact CG2-CD2 4.28Å; A17-Y64 HydrophobicContact CB-CE2 4.34Å; A17-Y64 WeakPolarHBondContact CB-OH 3.44Å; I20-Y64 HydrophobicContact CD1-CD1 3.58Å; I20-Y64 HydrophobicContact CD1-CD2 4.27Å; I20-Y64 HydrophobicContact CD1-CE1 4.3Å; I20-Y64 HydrophobicContact CD1-CG 3.56Å; L24-Y64 HydrophobicContact CD1-CE1 4.05Å; L24-Y64 HydrophobicContact CD2-CD1 4.34Å; L24-Y64 HydrophobicContact CD2-CE1 4.21Å; F60-Y64 WeakPolarHBondContact O-CB 3.43Å; F60-Y64 PolarHBondContact O-N 2.77Å; L61-Y64 PolarHBondContact O-N 2.95Å; Y64-S66 VanDerWaalsContact C-N 3.3Å; Y64-S66 PolarHBondContact O-N 3.43Å; Y64-S67 WeakPolarHBondContact O-CA 3.35Å; Y64-S67 WeakPolarHBondContact O-CB 3.45Å; Y64-S67 PolarHBondContact O-N 3.47Å; Y64-S67 PolarHBondContact O-OG 2.86Å; Y64-L68 HydrophobicContact CD1-CD1 4.36Å; Y64-L68 HydrophobicContact CE1-CD1 3.82Å; Y64-L68 HydrophobicContact CE1-CD2 4.31Å; Y64-L68 HydrophobicContact CE1-CG 4.2Å; Y64-L68 HydrophobicContact CE2-CD2 4.07Å; Y64-L68 PolarHBondContact O-N 3.02Å; Y64-W173 HydrophobicContact CE1-CH2 4.19Å; Y64-R177 VanDerWaalsContact OH-CG 3.3Å; Y64-R177 WeakPolarHBondContact OH-CG 3.47Å; Y64-R177 PolarHBondContact OH-NE 2.94Å
65F91Very high78.2Confident1 Ų144.9 Ų44.90%0.00425%0.248CC..Hα-helixtrans-59.8-37.1176-68.9-13000113.1L24 A29 F31 I43 L61 M62 S67 L68 S69L24-F65 HydrophobicContact CD2-CE1 3.71Å; L24-F65 HydrophobicContact CD2-CZ 4.07Å; A29-F65 HydrophobicContact CB-CE2 3.9Å; F31-F65 HydrophobicContact CB-CD1 3.63Å; F31-F65 HydrophobicContact CB-CD2 4.25Å; F31-F65 HydrophobicContact CB-CE1 3.54Å; F31-F65 HydrophobicContact CB-CE2 4.17Å; F31-F65 HydrophobicContact CB-CG 4Å; F31-F65 HydrophobicContact CB-CZ 3.83Å; F31-F65 HydrophobicContact CD2-CB 4.4Å; F31-F65 HydrophobicContact CD2-CG 4.44Å; F31-F65 HydrophobicContact CG-CD1 4.26Å; F31-F65 HydrophobicContact CG-CG 4.49Å; I43-F65 HydrophobicContact CD1-CB 4.11Å; I43-F65 HydrophobicContact CD1-CD2 3.99Å; I43-F65 HydrophobicContact CG1-CD2 4.05Å; I43-F65 HydrophobicContact CG2-CD2 4.27Å; I43-F65 HydrophobicContact CG2-CE2 4.32Å; L61-F65 HydrophobicContact CD1-CE1 3.96Å; L61-F65 HydrophobicContact CD1-CE2 4.05Å; L61-F65 HydrophobicContact CD1-CZ 3.67Å; L61-F65 HydrophobicContact CG-CE2 4.09Å; L61-F65 HydrophobicContact CG-CZ 4.23Å; L61-F65 WeakPolarHBondContact O-CG 3.23Å; L61-F65 PolarHBondContact O-N 3.44Å; M62-F65 HydrophobicContact CE-CD2 4.26Å; M62-F65 HydrophobicContact CE-CE2 4.42Å; F65-S67 VanDerWaalsContact C-N 3.32Å; F65-S67 PolarHBondContact O-N 3.24Å; F65-L68 HydrophobicContact CD1-CD1 4.07Å; F65-L68 WeakPolarHBondContact O-CB 3.4Å; F65-L68 PolarHBondContact O-N 3.43Å; F65-S69 PolarHBondContact O-N 3.41Å
66S85.9Confident77.4Confident25 Ų2543.5 Ų43.518%0.17524%0.242CC..Hα-helixtrans-62-39172.2-166.40000112.2M62 Q63 Y64 L68 A70M62-S66 WeakPolarHBondContact O-CB 3.33Å; M62-S66 PolarHBondContact O-N 3.12Å; Q63-S66 PolarHBondContact O-N 3.07Å; Y64-S66 VanDerWaalsContact C-N 3.3Å; Y64-S66 PolarHBondContact O-N 3.43Å; S66-L68 VanDerWaalsContact C-N 3.33Å; S66-L68 PolarHBondContact O-N 2.64Å; S66-A70 WeakPolarHBondContact O-CB 3.34Å; S66-A70 PolarHBondContact O-N 3.32Å; S66-A70 VanDerWaalsContact O-N 3.1Å
67S84.3Confident77Confident28 Ų2843.5 Ų43.520%0.19624%0.239CC..Hα-helixtrans-68.4-29.6176.5850000113.1Q63 Y64 F65 R71Q63-S67 PolarHBondContact O-N 3.23Å; Y64-S67 WeakPolarHBondContact O-CA 3.35Å; Y64-S67 WeakPolarHBondContact O-CB 3.45Å; Y64-S67 PolarHBondContact O-N 3.47Å; Y64-S67 PolarHBondContact O-OG 2.86Å; F65-S67 VanDerWaalsContact C-N 3.32Å; F65-S67 PolarHBondContact O-N 3.24Å; S67-R71 WeakPolarHBondContact O-CB 3.24Å; S67-R71 WeakPolarHBondContact O-CD 3.45Å; S67-R71 WeakPolarHBondContact O-CG 3.46Å; S67-R71 PolarHBondContact O-N 3.32Å
68L85.3Confident76.9Confident2 Ų244.6 Ų44.61%0.0124%0.239CC..Hα-helixtrans-63.3-50.7175.4-64.1-175.5000111.2F31 Y64 F65 S66 R71 M72 W173 R177 F305F31-L68 HydrophobicContact CB-CD1 4.39Å; F31-L68 HydrophobicContact CD1-CB 4.46Å; F31-L68 HydrophobicContact CD1-CD1 3.45Å; F31-L68 VanDerWaalsContact CD1-CD1 3.45Å; F31-L68 HydrophobicContact CE1-CB 3.99Å; F31-L68 HydrophobicContact CE1-CD1 3.8Å; F31-L68 HydrophobicContact CG-CD1 3.9Å; F31-L68 HydrophobicContact CZ-CB 4.06Å; Y64-L68 HydrophobicContact CD1-CD1 4.36Å; Y64-L68 HydrophobicContact CE1-CD1 3.82Å; Y64-L68 HydrophobicContact CE1-CD2 4.31Å; Y64-L68 HydrophobicContact CE1-CG 4.2Å; Y64-L68 HydrophobicContact CE2-CD2 4.07Å; Y64-L68 PolarHBondContact O-N 3.02Å; F65-L68 HydrophobicContact CD1-CD1 4.07Å; F65-L68 WeakPolarHBondContact O-CB 3.4Å; F65-L68 PolarHBondContact O-N 3.43Å; S66-L68 VanDerWaalsContact C-N 3.33Å; S66-L68 PolarHBondContact O-N 2.64Å; L68-R71 PolarHBondContact O-N 3.1Å; L68-M72 PolarHBondContact O-N 2.65Å; L68-W173 HydrophobicContact CD1-CH2 4.08Å; L68-W173 HydrophobicContact CD1-CZ2 4.22Å; L68-R177 VanDerWaalsContact CD2-NH2 3.25Å; L68-F305 HydrophobicContact CB-CZ 4.29Å; L68-F305 HydrophobicContact CD2-CZ 4.49Å
69S72.2Confident77Confident2 Ų244.8 Ų44.81%0.01424%0.24CC..Hα-helixtrans-65.4-42.3178.2-168.40000111.5S41 F65 R71 M72S41-S69 PolarHBondContact OG-OG 2.82Å; F65-S69 PolarHBondContact O-N 3.41Å; S69-R71 VanDerWaalsContact C-N 3.26Å; S69-R71 PolarHBondContact O-N 2.85Å; S69-M72 WeakPolarHBondContact O-CA 3.12Å; S69-M72 WeakPolarHBondContact O-CB 3.27Å; S69-M72 PolarHBondContact O-N 3.42Å
70A65.7Low77.2Confident43 Ų4342.4 Ų42.436%0.35523%0.228SC..Hα-helixtrans-64.4-24.1177.600000114.6S66S66-A70 WeakPolarHBondContact O-CB 3.34Å; S66-A70 PolarHBondContact O-N 3.32Å; S66-A70 VanDerWaalsContact O-N 3.1Å
71R63.3Low77.5Confident71 Ų7137.7 Ų37.727%0.26821%0.207SC..Hα-helixtrans-85.5-16.7172-69.5169.779.5-1805.3112.5S67 L68 S69 E181 F184 R312S67-R71 WeakPolarHBondContact O-CB 3.24Å; S67-R71 WeakPolarHBondContact O-CD 3.45Å; S67-R71 WeakPolarHBondContact O-CG 3.46Å; S67-R71 PolarHBondContact O-N 3.32Å; L68-R71 PolarHBondContact O-N 3.1Å; S69-R71 VanDerWaalsContact C-N 3.26Å; S69-R71 PolarHBondContact O-N 2.85Å; R71-E181 IonicContact NH1-OE1 2.66Å; R71-F184 VanDerWaalsContact NH2-CD1 3.25Å; R71-R312 PolarHBondContact O-NH1 2.84Å
72M53.7Low77.7Confident30 Ų3037.6 Ų37.615%0.14821%0.207CC..SBendtrans-78.6160.3169.8-143.1171.9-170.500110.4L68 S69 T74 F305 I308 R312L68-M72 PolarHBondContact O-N 2.65Å; S69-M72 WeakPolarHBondContact O-CA 3.12Å; S69-M72 WeakPolarHBondContact O-CB 3.27Å; S69-M72 PolarHBondContact O-N 3.42Å; M72-T74 HydrophobicContact CG-CG2 4.48Å; M72-T74 HydrophobicContact SD-CG2 4.21Å; M72-F305 HydrophobicContact CE-CD2 3.74Å; M72-F305 HydrophobicContact CE-CE2 4.38Å; M72-F305 HydrophobicContact SD-CD2 3.78Å; M72-F305 HydrophobicContact SD-CE2 3.89Å; M72-I308 HydrophobicContact CE-CD1 4.38Å; M72-I308 HydrophobicContact CE-CG2 4.12Å; M72-R312 VanDerWaalsContact C-NH1 3.29Å
73L48.6Very low77.8Confident131 Ų13137.7 Ų37.769%0.68621%0.207SC*.  trans-111.939.7177.9-149.486.3000110.1R312L73-R312 VanDerWaalsContact N-NH2 3.2Å
74T49.1Very low77.8Confident29 Ų2934.3 Ų34.318%0.17819%0.192CC..  trans-61.3134.9161.6470000107.3M72 V76M72-T74 HydrophobicContact CG-CG2 4.48Å; M72-T74 HydrophobicContact SD-CG2 4.21Å; T74-V76 WeakPolarHBondContact CB-O 3.47Å; T74-V76 PolarHBondContact O-N 2.73Å; T74-V76 PolarHBondContact OG1-O 2.94Å
75C53.3Low77.5Confident126 Ų12634.3 Ų34.385%0.85119%0.192SC*.SBendtrans-68.3-11174.350.70000112.6
76V68.5Low77.2Confident37 Ų3737.5 Ų37.522%0.22420%0.204CC..  trans-111.7120.3175.1-167.30000108.5R40 T74 E78R40-V76 HydrophobicContact CG-CG1 3.74Å; T74-V76 WeakPolarHBondContact CB-O 3.47Å; T74-V76 PolarHBondContact O-N 2.73Å; T74-V76 PolarHBondContact OG1-O 2.94Å; V76-E78 HydrophobicContact CG1-CB 3.81Å; V76-E78 HydrophobicContact CG1-CG 3.74Å
77Q77.5Confident76.6Confident115 Ų11542.2 Ų42.254%0.53723%0.232SC..  trans-102.755.3173.3-68.8-175-2000109.5N107Q77-N107 PolarHBondContact O-ND2 3.46Å; Q77-N107 VanDerWaalsContact O-ND2 3.08Å
78E86.3Confident75.9Confident64 Ų6442.1 Ų42.130%0.29924%0.236SC..EExtended strand (participates in β ladder)trans-133.1157.6179-51.8-176161.200110.5R40 S41 V76 N107 H109R40-E78 CarbonylContact C-O 3.53Å; R40-E78 WeakPolarHBondContact CA-O 3.17Å; R40-E78 WeakPolarHBondContact CB-O 3.19Å; R40-E78 HydrophobicContact CG-CB 4.11Å; S41-E78 PolarHBondContact N-O 2.95Å; V76-E78 HydrophobicContact CG1-CB 3.81Å; V76-E78 HydrophobicContact CG1-CG 3.74Å; E78-N107 CarbonylContact C-O 3.58Å; E78-N107 VanDerWaalsContact CA-O 3.26Å; E78-N107 WeakPolarHBondContact CA-O 3.46Å; E78-N107 HydrophobicContact CB-CB 4.33Å; E78-N107 HydrophobicContact CG-CB 3.95Å; E78-H109 HydrophobicContact CB-CB 4.47Å; E78-H109 IonicContact OE2-CE1 3.95Å; E78-H109 IonicContact OE2-CG 3.19Å; E78-H109 IonicContact OE2-ND1 2.69Å; E78-H109 PolarHBondContact OE2-ND1 2.92Å
79F91.3Very high75.4Confident4 Ų447 Ų472%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-115.4149.5-177.7-68.4-98.1000111.9F31 S41 I43 F104 N107 L108 H109F31-F79 HydrophobicContact CD2-CE1 4.44Å; F31-F79 AromaticContact CE2-CE1 3.95Å; F31-F79 HydrophobicContact CE2-CE1 3.95Å; S41-F79 VanDerWaalsContact O-CA 3.29Å; S41-F79 WeakPolarHBondContact O-CA 3.36Å; I43-F79 HydrophobicContact CD1-CD1 3.44Å; I43-F79 VanDerWaalsContact CD1-CD1 3.44Å; I43-F79 HydrophobicContact CD1-CE1 3.73Å; I43-F79 HydrophobicContact CD1-CG 4.27Å; I43-F79 HydrophobicContact CG1-CD1 3.89Å; I43-F79 HydrophobicContact CG1-CE1 4.25Å; F79-F104 HydrophobicContact CB-CE1 4.31Å; F79-F104 HydrophobicContact CB-CZ 4.26Å; F79-F104 HydrophobicContact CD1-CZ 4.14Å; F79-F104 AromaticContact CD2-CE1 3.69Å; F79-F104 HydrophobicContact CD2-CE1 3.69Å; F79-F104 AromaticContact CD2-CZ 3.72Å; F79-F104 HydrophobicContact CD2-CZ 3.72Å; F79-F104 HydrophobicContact CE1-CZ 4.41Å; F79-F104 HydrophobicContact CE2-CE1 4.21Å; F79-F104 HydrophobicContact CE2-CZ 4.05Å; F79-F104 HydrophobicContact CG-CE1 4.04Å; F79-F104 AromaticContact CG-CZ 3.77Å; F79-F104 HydrophobicContact CG-CZ 3.77Å; F79-F104 HydrophobicContact CZ-CZ 4.38Å; F79-N107 PolarHBondContact N-O 2.94Å; F79-L108 HydrophobicContact CB-CD1 4.02Å; F79-L108 WeakPolarHBondContact O-CD1 3.43Å; F79-H109 WeakPolarHBondContact O-CB 3.44Å; F79-H109 PolarHBondContact O-N 3.07Å
80T93.9Very high76Confident0 Ų047.7 Ų47.70%026%0.264CS..EExtended strand (participates in β ladder)trans-117.7123.4164.6-79.70000107.5D36 S41 L42 I43 Q110 F112D36-T80 WeakPolarHBondContact OD2-CB 3.42Å; D36-T80 PolarHBondContact OD2-OG1 3.29Å; S41-T80 PolarHBondContact O-N 3.26Å; L42-T80 WeakPolarHBondContact CA-O 3.32Å; L42-T80 HydrophobicContact CD2-CG2 3.81Å; I43-T80 PolarHBondContact N-O 3.47Å; I43-T80 VanDerWaalsContact N-O 3.16Å; T80-Q110 HydrophobicContact CG2-CG 4.05Å; T80-Q110 WeakPolarHBondContact OG1-CG 3.34Å; T80-Q110 PolarHBondContact OG1-NE2 3.29Å; T80-F112 HydrophobicContact CG2-CD2 3.84Å; T80-F112 HydrophobicContact CG2-CE2 3.73Å
81V94.9Very high76.9Confident0 Ų050 Ų500%027%0.274CS..EExtended strand (participates in β ladder)trans-100.7141.9-180169.60000110.5I43 F45 I83 L100 L108 Q110 I111 F112I43-V81 HydrophobicContact CB-CG2 4.08Å; I43-V81 HydrophobicContact CG2-CG2 4.46Å; I43-V81 CarbonylContact O-C 3.56Å; I43-V81 VanDerWaalsContact O-CA 3.32Å; I43-V81 WeakPolarHBondContact O-CA 3.48Å; F45-V81 HydrophobicContact CD2-CG1 3.69Å; F45-V81 HydrophobicContact CE2-CG1 3.83Å; V81-I83 HydrophobicContact CG1-CG1 3.94Å; V81-L100 HydrophobicContact CG1-CD1 3.93Å; V81-L100 HydrophobicContact CG2-CD1 4.38Å; V81-L100 HydrophobicContact CG2-CD2 4.47Å; V81-L108 HydrophobicContact CB-CD1 4.05Å; V81-L108 HydrophobicContact CG2-CD1 3.43Å; V81-L108 VanDerWaalsContact CG2-CD1 3.43Å; V81-L108 HydrophobicContact CG2-CD2 4.1Å; V81-L108 HydrophobicContact CG2-CG 4.44Å; V81-Q110 PolarHBondContact N-O 2.9Å; V81-I111 HydrophobicContact CB-CG1 4.31Å; V81-I111 HydrophobicContact CB-CG2 4.33Å; V81-I111 HydrophobicContact CG1-CG2 4.09Å; V81-I111 CarbonylContact O-C 3.57Å; V81-I111 WeakPolarHBondContact O-CA 3.34Å; V81-F112 PolarHBondContact O-N 2.94Å
82I94.6Very high77.9Confident0 Ų047.9 Ų47.90%027%0.269CS..EExtended strand (participates in β ladder)trans-114.6133.3166.7-48.2178.2000108.4I43 I44 F45 F112 I114 L149 I153 L158 L162I43-I82 PolarHBondContact O-N 3.29Å; I44-I82 HydrophobicContact CG1-CB 4.42Å; I44-I82 HydrophobicContact CG1-CD1 4.29Å; F45-I82 PolarHBondContact N-O 2.67Å; I82-F112 CarbonylContact C-O 3.47Å; I82-F112 HydrophobicContact CG2-CB 4.43Å; I82-I114 HydrophobicContact CG2-CD1 4.18Å; I82-I114 HydrophobicContact CG2-CG1 4.43Å; I82-L149 HydrophobicContact CD1-CD1 4.46Å; I82-L149 HydrophobicContact CG2-CD1 4.47Å; I82-I153 HydrophobicContact CD1-CD1 3.72Å; I82-I153 HydrophobicContact CG1-CD1 4.37Å; I82-L158 HydrophobicContact CD1-CD2 3.48Å; I82-L158 VanDerWaalsContact CD1-CD2 3.48Å; I82-L162 HydrophobicContact CD1-CD1 4.02Å; I82-L162 HydrophobicContact CG2-CD1 4.17Å
83I93.3Very high79.5Confident1 Ų146.7 Ų46.71%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-119.3116171.6-51.6175.4000108.1F45 V81 V93 I96 V97 L100 I111 F112 I113 I114F45-I83 HydrophobicContact CB-CG1 4.34Å; F45-I83 HydrophobicContact CB-CG2 4.32Å; F45-I83 HydrophobicContact CD2-CG1 4.31Å; V81-I83 HydrophobicContact CG1-CG1 3.94Å; I83-V93 HydrophobicContact CG2-CG1 4.3Å; I83-V93 HydrophobicContact CG2-CG2 4.37Å; I83-I96 HydrophobicContact CD1-CB 4.17Å; I83-I96 HydrophobicContact CD1-CG2 3.55Å; I83-I96 HydrophobicContact CG1-CG2 4.11Å; I83-I96 HydrophobicContact CG2-CD1 4.03Å; I83-V97 HydrophobicContact CD1-CG2 3.61Å; I83-L100 HydrophobicContact CD1-CD1 4.42Å; I83-I111 HydrophobicContact CD1-CG2 3.62Å; I83-I111 HydrophobicContact CG1-CG2 3.92Å; I83-F112 PolarHBondContact N-O 2.91Å; I83-I113 HydrophobicContact CB-CG1 4.46Å; I83-I113 HydrophobicContact CD1-CG1 4.37Å; I83-I113 WeakPolarHBondContact O-CA 3.26Å; I83-I114 PolarHBondContact O-N 2.91Å
84D89.1Confident81.4Confident12 Ų1244.6 Ų44.66%0.06425%0.249CC..EExtended strand (participates in β ladder)trans-80.7119.6170.7-170.16.8000110F45 D47 R86 I114 L162F45-D84 PolarHBondContact O-N 3.38Å; D47-D84 HydrophobicContact CB-CB 4.16Å; D84-R86 WeakPolarHBondContact OD1-CB 3.28Å; D84-R86 WeakPolarHBondContact OD1-CG 3.29Å; D84-R86 IonicContact OD1-CZ 3.04Å; D84-R86 PolarHBondContact OD1-N 3.33Å; D84-R86 VanDerWaalsContact OD1-N 3.17Å; D84-R86 IonicContact OD1-NE 3.7Å; D84-R86 PolarHBondContact OD1-NE 3.08Å; D84-R86 IonicContact OD1-NH2 2.67Å; D84-R86 IonicContact OD2-CZ 3.74Å; D84-R86 IonicContact OD2-NE 2.62Å; D84-R86 PolarHBondContact OD2-NE 3.11Å; D84-R86 VanDerWaalsContact OD2-NE 3.17Å; D84-R86 IonicContact OD2-NH2 2.71Å; D84-R86 PolarHBondContact OD2-NH2 3.38Å; D84-I114 HydrophobicContact CB-CD1 4.49Å; D84-L162 HydrophobicContact CB-CD2 4.42Å
85G85.8Confident83.2Confident0 Ų045.7 Ų45.70%026%0.257CS..  trans-123.524.6178.400000112.8T87 W90 I114G85-T87 PolarHBondContact O-N 3.33Å; G85-W90 PolarHBondContact O-NE1 3.36Å; G85-I114 CarbonylContact C-O 3.57Å; G85-I114 VanDerWaalsContact CA-O 3.32Å; G85-I114 WeakPolarHBondContact CA-O 3.5Å; G85-I114 PolarHBondContact N-O 2.98Å
86R83.6Confident85Confident67 Ų6740.1 Ų40.125%0.25322%0.219SC..SBendtrans-68.7-29.4-173.1-77.7178.5-66177.51.7114.6D47 D84 I114 P116 D161D47-R86 PolarHBondContact OD2-N 2.72Å; D84-R86 WeakPolarHBondContact OD1-CB 3.28Å; D84-R86 WeakPolarHBondContact OD1-CG 3.29Å; D84-R86 IonicContact OD1-CZ 3.04Å; D84-R86 PolarHBondContact OD1-N 3.33Å; D84-R86 VanDerWaalsContact OD1-N 3.17Å; D84-R86 IonicContact OD1-NE 3.7Å; D84-R86 PolarHBondContact OD1-NE 3.08Å; D84-R86 IonicContact OD1-NH2 2.67Å; D84-R86 IonicContact OD2-CZ 3.74Å; D84-R86 IonicContact OD2-NE 2.62Å; D84-R86 PolarHBondContact OD2-NE 3.11Å; D84-R86 VanDerWaalsContact OD2-NE 3.17Å; D84-R86 IonicContact OD2-NH2 2.71Å; D84-R86 PolarHBondContact OD2-NH2 3.38Å; R86-I114 HydrophobicContact CG-CB 4.33Å; R86-I114 HydrophobicContact CG-CG2 3.61Å; R86-P116 WeakPolarHBondContact O-CA 3.42Å; R86-P116 VanDerWaalsContact O-CB 3.3Å; R86-P116 WeakPolarHBondContact O-CB 3.37Å; R86-D161 PolarHBondContact NH1-O 3.4Å; R86-D161 VanDerWaalsContact NH1-O 3.17Å; R86-D161 PolarHBondContact NH2-O 3.04Å
87T73.9Confident86.1Confident124 Ų12438.5 Ų38.576%0.76121%0.209SC*.SBendtrans-131.6-19.1-175.970.50000113.3D47 G85D47-T87 VanDerWaalsContact OD2-CA 3.25Å; D47-T87 WeakPolarHBondContact OD2-CA 3.43Å; D47-T87 WeakPolarHBondContact OD2-CB 3.5Å; D47-T87 PolarHBondContact OD2-N 2.76Å; D47-T87 PolarHBondContact OD2-OG1 3.06Å; G85-T87 PolarHBondContact O-N 3.33Å
88G69.8Low86.6Confident27 Ų2734.9 Ų34.928%0.27820%0.199SC..SBendtrans-76.8172.5-173.800000117.4D47 W90D47-G88 VanDerWaalsContact CG-N 3.31Å; D47-G88 WeakPolarHBondContact OD1-CA 3.29Å; D47-G88 PolarHBondContact OD1-N 3.34Å; D47-G88 PolarHBondContact OD2-N 2.92Å; G88-W90 PolarHBondContact O-N 3.1Å
89N75.6Confident86.8Confident103 Ų10333.6 Ų33.655%0.55119%0.191SC*.  trans-77.8118.9174.9-175.7-4.6000110.9T91 V92 V93N89-T91 VanDerWaalsContact CG-OG1 3.26Å; N89-T91 PolarHBondContact ND2-OG1 2.88Å; N89-T91 PolarHBondContact O-N 3.08Å; N89-T91 VanDerWaalsContact O-N 3.13Å; N89-T91 PolarHBondContact OD1-N 3.39Å; N89-T91 PolarHBondContact OD1-OG1 3.23Å; N89-T91 VanDerWaalsContact OD1-OG1 3.11Å; N89-V92 HydrophobicContact CB-CG2 4.2Å; N89-V92 WeakPolarHBondContact O-CA 3.15Å; N89-V92 WeakPolarHBondContact O-CB 3.47Å; N89-V92 PolarHBondContact O-N 3.23Å; N89-V93 PolarHBondContact O-N 2.91Å
90W85Confident86.8Confident17 Ų1733.6 Ų33.66%0.06419%0.191CC..Hα-helixtrans-68.2-10.6-176.4-85.761000115G85 G88 V92 V93 K94 I113 K115 L125 T128 I129 I132 F142G85-W90 PolarHBondContact O-NE1 3.36Å; G88-W90 PolarHBondContact O-N 3.1Å; W90-V92 VanDerWaalsContact C-N 3.28Å; W90-V93 HydrophobicContact CD2-CG2 4.36Å; W90-V93 HydrophobicContact CE3-CG1 4.44Å; W90-V93 HydrophobicContact CG-CG2 4.43Å; W90-V93 HydrophobicContact CZ3-CG1 4.42Å; W90-K94 PolarHBondContact O-N 3.28Å; W90-K94 VanDerWaalsContact O-N 3.12Å; W90-I113 HydrophobicContact CH2-CG2 3.69Å; W90-I113 HydrophobicContact CZ2-CG2 4.26Å; W90-I113 HydrophobicContact CZ3-CG2 4.33Å; W90-K115 HydrophobicContact CH2-CG 4.2Å; W90-K115 HydrophobicContact CZ2-CG 4.44Å; W90-L125 HydrophobicContact CD2-CD2 3.55Å; W90-L125 HydrophobicContact CD2-CG 4.08Å; W90-L125 VanDerWaalsContact CE2-CD2 3.44Å; W90-L125 HydrophobicContact CE3-CD2 4.07Å; W90-L125 HydrophobicContact CE3-CG 4.4Å; W90-L125 HydrophobicContact CG-CD2 3.93Å; W90-L125 HydrophobicContact CG-CG 4.23Å; W90-L125 HydrophobicContact CH2-CD2 4.37Å; W90-L125 HydrophobicContact CZ2-CD2 3.9Å; W90-L125 HydrophobicContact CZ3-CD2 4.45Å; W90-T128 HydrophobicContact CB-CG2 4.17Å; W90-T128 HydrophobicContact CE3-CG2 4.46Å; W90-I129 HydrophobicContact CE3-CG1 4.23Å; W90-I129 HydrophobicContact CH2-CG1 4.16Å; W90-I129 HydrophobicContact CZ3-CD1 4.42Å; W90-I129 HydrophobicContact CZ3-CG1 3.56Å; W90-I132 HydrophobicContact CE3-CD1 3.82Å; W90-I132 HydrophobicContact CZ3-CD1 4.05Å; W90-F142 HydrophobicContact CH2-CD1 4.28Å; W90-F142 HydrophobicContact CH2-CE1 4.3Å; W90-F142 HydrophobicContact CZ3-CD1 4.49Å; W90-F142 HydrophobicContact CZ3-CE1 4.1Å
91T82.8Confident86.6Confident93 Ų9335.8 Ų35.857%0.57120%0.203SC*.Hα-helixtrans-67.4-30.5164.564.50000112.1N89 S95N89-T91 VanDerWaalsContact CG-OG1 3.26Å; N89-T91 PolarHBondContact ND2-OG1 2.88Å; N89-T91 PolarHBondContact O-N 3.08Å; N89-T91 VanDerWaalsContact O-N 3.13Å; N89-T91 PolarHBondContact OD1-N 3.39Å; N89-T91 PolarHBondContact OD1-OG1 3.23Å; N89-T91 VanDerWaalsContact OD1-OG1 3.11Å; T91-S95 WeakPolarHBondContact O-CB 3.45Å; T91-S95 PolarHBondContact O-N 3.26Å
92V85.1Confident86.2Confident26 Ų2642.5 Ų42.516%0.15823%0.234CC..Hα-helixtrans-76.4-40.2177.4-171.70000110.7L50 N89 W90 K94 S95 I96L50-V92 HydrophobicContact CB-CG1 4.12Å; L50-V92 HydrophobicContact CD1-CG1 4.42Å; L50-V92 HydrophobicContact CG-CG1 3.91Å; N89-V92 HydrophobicContact CB-CG2 4.2Å; N89-V92 WeakPolarHBondContact O-CA 3.15Å; N89-V92 WeakPolarHBondContact O-CB 3.47Å; N89-V92 PolarHBondContact O-N 3.23Å; W90-V92 VanDerWaalsContact C-N 3.28Å; V92-K94 VanDerWaalsContact C-N 3.28Å; V92-K94 PolarHBondContact O-N 3.16Å; V92-S95 CarbonylContact O-C 3.58Å; V92-S95 WeakPolarHBondContact O-CA 3.33Å; V92-S95 WeakPolarHBondContact O-CB 3.43Å; V92-S95 PolarHBondContact O-N 3.35Å; V92-I96 HydrophobicContact CG1-CD1 4.21Å; V92-I96 HydrophobicContact CG1-CG1 4.42Å; V92-I96 WeakPolarHBondContact O-CG1 3.5Å; V92-I96 PolarHBondContact O-N 2.93Å
93V88.1Confident85.6Confident5 Ų546.2 Ų46.23%0.0325%0.251CS..Hα-helixtrans-54.7-46.8169.4179.20000110.3I83 N89 W90 S95 I96 V97 I113 I132I83-V93 HydrophobicContact CG2-CG1 4.3Å; I83-V93 HydrophobicContact CG2-CG2 4.37Å; N89-V93 PolarHBondContact O-N 2.91Å; W90-V93 HydrophobicContact CD2-CG2 4.36Å; W90-V93 HydrophobicContact CE3-CG1 4.44Å; W90-V93 HydrophobicContact CG-CG2 4.43Å; W90-V93 HydrophobicContact CZ3-CG1 4.42Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 2.79Å; V93-I96 PolarHBondContact O-N 2.67Å; V93-V97 WeakPolarHBondContact O-CG2 3.45Å; V93-V97 PolarHBondContact O-N 3.47Å; V93-I113 HydrophobicContact CG1-CD1 4.37Å; V93-I113 HydrophobicContact CG1-CG2 3.83Å; V93-I132 HydrophobicContact CG1-CD1 4.28Å
94K88Confident85.3Confident87 Ų8747.4 Ų47.438%0.37826%0.256SS..Hα-helixtrans-61.2-37.8174.5-173.4163.8-178.1172.20112.9W90 V92 A98 S131 I132W90-K94 PolarHBondContact O-N 3.28Å; W90-K94 VanDerWaalsContact O-N 3.12Å; V92-K94 VanDerWaalsContact C-N 3.28Å; V92-K94 PolarHBondContact O-N 3.16Å; K94-A98 WeakPolarHBondContact O-CB 3.19Å; K94-A98 PolarHBondContact O-N 2.77Å; K94-S131 PolarHBondContact NZ-O 2.91Å; K94-S131 PolarHBondContact NZ-OG 2.99Å; K94-I132 HydrophobicContact CB-CD1 4.03Å; K94-I132 HydrophobicContact CB-CG1 3.77Å; K94-I132 HydrophobicContact CD-CG1 4.03Å; K94-I132 HydrophobicContact CG-CG1 3.87Å
95S87.7Confident85Confident51 Ų5149.8 Ų49.836%0.35727%0.272SS..Hα-helixtrans-67.5-43176.5-170.90000112.8T91 V92 V93 A98 R99T91-S95 WeakPolarHBondContact O-CB 3.45Å; T91-S95 PolarHBondContact O-N 3.26Å; V92-S95 CarbonylContact O-C 3.58Å; V92-S95 WeakPolarHBondContact O-CA 3.33Å; V92-S95 WeakPolarHBondContact O-CB 3.43Å; V92-S95 PolarHBondContact O-N 3.35Å; V93-S95 VanDerWaalsContact C-N 3.32Å; V93-S95 PolarHBondContact O-N 2.79Å; S95-A98 PolarHBondContact O-N 3.11Å; S95-R99 WeakPolarHBondContact O-CB 3.37Å; S95-R99 WeakPolarHBondContact O-CG 2.99Å; S95-R99 PolarHBondContact O-N 3.21Å
96I89.5Confident84.7Confident9 Ų951 Ų515%0.04628%0.284CS..Hα-helixtrans-60-50.7174.7-64.8160.8000109.8F45 L50 I83 V92 V93 A98 R99 L100F45-I96 HydrophobicContact CB-CD1 4.31Å; F45-I96 HydrophobicContact CD1-CD1 4.14Å; F45-I96 HydrophobicContact CD1-CG1 4.18Å; F45-I96 HydrophobicContact CD1-CG2 3.76Å; F45-I96 HydrophobicContact CD2-CG2 4.02Å; F45-I96 HydrophobicContact CE1-CG2 3.81Å; F45-I96 HydrophobicContact CE2-CG2 4.07Å; F45-I96 HydrophobicContact CG-CD1 4.43Å; F45-I96 HydrophobicContact CG-CG2 3.87Å; F45-I96 HydrophobicContact CZ-CG2 3.97Å; L50-I96 HydrophobicContact CD1-CG1 3.52Å; L50-I96 HydrophobicContact CD2-CG1 4.09Å; L50-I96 HydrophobicContact CG-CD1 4.33Å; L50-I96 HydrophobicContact CG-CG1 3.76Å; I83-I96 HydrophobicContact CD1-CB 4.17Å; I83-I96 HydrophobicContact CD1-CG2 3.55Å; I83-I96 HydrophobicContact CG1-CG2 4.11Å; I83-I96 HydrophobicContact CG2-CD1 4.03Å; V92-I96 HydrophobicContact CG1-CD1 4.21Å; V92-I96 HydrophobicContact CG1-CG1 4.42Å; V92-I96 WeakPolarHBondContact O-CG1 3.5Å; V92-I96 PolarHBondContact O-N 2.93Å; V93-I96 PolarHBondContact O-N 2.67Å; I96-A98 VanDerWaalsContact C-N 3.35Å; I96-A98 PolarHBondContact O-N 3.09Å; I96-R99 PolarHBondContact O-N 2.88Å; I96-L100 HydrophobicContact CG2-CD1 3.75Å; I96-L100 HydrophobicContact CG2-CG 4.34Å; I96-L100 WeakPolarHBondContact O-CB 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.42Å; I96-L100 PolarHBondContact O-N 3.5Å
97V91.5Very high84.8Confident4 Ų452.6 Ų52.62%0.02430%0.297CS..Hα-helixtrans-62.1-40.5-179.8173.80000111.7I83 V93 N101 I113 I132 C136 L140I83-V97 HydrophobicContact CD1-CG2 3.61Å; V93-V97 WeakPolarHBondContact O-CG2 3.45Å; V93-V97 PolarHBondContact O-N 3.47Å; V97-N101 WeakPolarHBondContact O-CB 3.44Å; V97-N101 PolarHBondContact O-N 3.32Å; V97-I113 HydrophobicContact CG2-CD1 3.82Å; V97-I132 HydrophobicContact CB-CG2 4.21Å; V97-I132 HydrophobicContact CG1-CG2 3.99Å; V97-I132 HydrophobicContact CG2-CG2 4.13Å; V97-C136 HydrophobicContact CG1-CB 3.72Å; V97-C136 VanDerWaalsContact CG1-SG 3.58Å; V97-L140 HydrophobicContact CG1-CD1 4.27Å; V97-L140 HydrophobicContact CG1-CD2 4.24Å
98A89.4Confident85.5Confident38 Ų3847.9 Ų47.931%0.31427%0.267SS..Hα-helixtrans-64.1-50.3174.700000112K94 S95 I96 L100 N101 E102K94-A98 WeakPolarHBondContact O-CB 3.19Å; K94-A98 PolarHBondContact O-N 2.77Å; S95-A98 PolarHBondContact O-N 3.11Å; I96-A98 VanDerWaalsContact C-N 3.35Å; I96-A98 PolarHBondContact O-N 3.09Å; A98-L100 VanDerWaalsContact C-N 3.32Å; A98-L100 PolarHBondContact O-N 2.9Å; A98-N101 PolarHBondContact O-N 3.05Å; A98-E102 WeakPolarHBondContact O-CB 3.41Å; A98-E102 WeakPolarHBondContact O-CG 3.33Å; A98-E102 PolarHBondContact O-N 3.34Å
99R89.4Confident86.6Confident38 Ų3850.1 Ų50.114%0.14327%0.271CS..Hα-helixtrans-59.2-39.4177.8-78.4-178.1165.5-179.7-1.3112.3L53 D55 Y58 S95 I96 K103L53-R99 PolarHBondContact O-NH1 2.86Å; L53-R99 PolarHBondContact O-NH2 2.83Å; L53-R99 VanDerWaalsContact O-NH2 3.09Å; D55-R99 IonicContact OD1-CZ 3.85Å; D55-R99 IonicContact OD1-NE 3.51Å; D55-R99 IonicContact OD1-NH2 3.59Å; D55-R99 PolarHBondContact OD1-NH2 3.31Å; Y58-R99 HydrophobicContact CD1-CB 4.44Å; Y58-R99 HydrophobicContact CE1-CB 3.78Å; Y58-R99 HydrophobicContact CE1-CG 4.49Å; Y58-R99 HydrophobicContact CE2-CB 4.18Å; S95-R99 WeakPolarHBondContact O-CB 3.37Å; S95-R99 WeakPolarHBondContact O-CG 2.99Å; S95-R99 PolarHBondContact O-N 3.21Å; I96-R99 PolarHBondContact O-N 2.88Å; R99-K103 WeakPolarHBondContact O-CA 3.48Å; R99-K103 WeakPolarHBondContact O-CB 3.36Å; R99-K103 PolarHBondContact O-N 3.02Å
100L91.2Very high87.4Confident4 Ų446 Ų462%0.02125%0.248CC..Hα-helixtrans-66.2-44.1175.1-73.3168.4000112.2F45 Y58 M62 V81 I83 I96 A98 E102 F104 L108 I111F45-L100 HydrophobicContact CE2-CD1 3.94Å; F45-L100 HydrophobicContact CE2-CD2 4.1Å; F45-L100 HydrophobicContact CE2-CG 4.43Å; F45-L100 HydrophobicContact CZ-CD1 4.34Å; F45-L100 HydrophobicContact CZ-CD2 4.08Å; F45-L100 HydrophobicContact CZ-CG 4.4Å; Y58-L100 WeakPolarHBondContact OH-CD2 3.29Å; Y58-L100 WeakPolarHBondContact OH-CG 3.36Å; Y58-L100 PolarHBondContact OH-N 3.06Å; M62-L100 HydrophobicContact SD-CD2 4.27Å; V81-L100 HydrophobicContact CG1-CD1 3.93Å; V81-L100 HydrophobicContact CG2-CD1 4.38Å; V81-L100 HydrophobicContact CG2-CD2 4.47Å; I83-L100 HydrophobicContact CD1-CD1 4.42Å; I96-L100 HydrophobicContact CG2-CD1 3.75Å; I96-L100 HydrophobicContact CG2-CG 4.34Å; I96-L100 WeakPolarHBondContact O-CB 3.29Å; I96-L100 WeakPolarHBondContact O-CG 3.42Å; I96-L100 PolarHBondContact O-N 3.5Å; A98-L100 VanDerWaalsContact C-N 3.32Å; A98-L100 PolarHBondContact O-N 2.9Å; L100-E102 VanDerWaalsContact C-N 3.27Å; L100-E102 PolarHBondContact O-N 3Å; L100-F104 HydrophobicContact CD2-CB 4.43Å; L100-F104 HydrophobicContact CD2-CD2 3.87Å; L100-F104 HydrophobicContact CD2-CG 4.35Å; L100-F104 VanDerWaalsContact O-CB 3.23Å; L100-F104 WeakPolarHBondContact O-CB 3.31Å; L100-F104 PolarHBondContact O-N 3.48Å; L100-L108 HydrophobicContact CB-CD2 3.94Å; L100-L108 HydrophobicContact CD1-CD2 4.35Å; L100-L108 HydrophobicContact CD2-CD2 4.06Å; L100-L108 HydrophobicContact CG-CD2 4.34Å; L100-I111 HydrophobicContact CB-CD1 4.41Å; L100-I111 HydrophobicContact CD1-CD1 4Å
101N89.9Confident87.9Confident45 Ų4545.2 Ų45.224%0.24125%0.245CC..Hα-helixtrans-69.8-20180176.492.7000113.7V97 A98 K137V97-N101 WeakPolarHBondContact O-CB 3.44Å; V97-N101 PolarHBondContact O-N 3.32Å; A98-N101 PolarHBondContact O-N 3.05Å; N101-K137 PolarHBondContact OD1-N 3.1Å
102E86.4Confident88.4Confident142 Ų14240.8 Ų40.866%0.66422%0.218SC*.Hα-helixtrans-107.7-32.5-179-70178.4-174.200114.9A98 L100A98-E102 WeakPolarHBondContact O-CB 3.41Å; A98-E102 WeakPolarHBondContact O-CG 3.33Å; A98-E102 PolarHBondContact O-N 3.34Å; L100-E102 VanDerWaalsContact C-N 3.27Å; L100-E102 PolarHBondContact O-N 3Å
103K83.5Confident88.8Confident78 Ų7839.5 Ų39.534%0.33921%0.21SC..Hα-helixtrans-131.85.3-163.6-54-169.9-179.5-166.30115.3D55 Y58 R99D55-K103 IonicContact OD2-NZ 2.99Å; D55-K103 PolarHBondContact OD2-NZ 3.12Å; Y58-K103 HydrophobicContact CE1-CB 4.28Å; R99-K103 WeakPolarHBondContact O-CA 3.48Å; R99-K103 WeakPolarHBondContact O-CB 3.36Å; R99-K103 PolarHBondContact O-N 3.02Å
104F86.6Confident88.9Confident26 Ų2639.3 Ų39.311%0.11421%0.209CC..  trans-73.6129.7176.8-168.8-107000111I43 M62 F79 L100 G106 L108I43-F104 HydrophobicContact CD1-CE2 3.77Å; I43-F104 HydrophobicContact CD1-CZ 3.85Å; M62-F104 HydrophobicContact CB-CD2 4.1Å; M62-F104 HydrophobicContact CB-CE2 4.33Å; M62-F104 HydrophobicContact CG-CD2 4.15Å; M62-F104 HydrophobicContact SD-CD2 3.74Å; M62-F104 HydrophobicContact SD-CE2 3.77Å; F79-F104 HydrophobicContact CB-CE1 4.31Å; F79-F104 HydrophobicContact CB-CZ 4.26Å; F79-F104 HydrophobicContact CD1-CZ 4.14Å; F79-F104 AromaticContact CD2-CE1 3.69Å; F79-F104 HydrophobicContact CD2-CE1 3.69Å; F79-F104 AromaticContact CD2-CZ 3.72Å; F79-F104 HydrophobicContact CD2-CZ 3.72Å; F79-F104 HydrophobicContact CE1-CZ 4.41Å; F79-F104 HydrophobicContact CE2-CE1 4.21Å; F79-F104 HydrophobicContact CE2-CZ 4.05Å; F79-F104 HydrophobicContact CG-CE1 4.04Å; F79-F104 AromaticContact CG-CZ 3.77Å; F79-F104 HydrophobicContact CG-CZ 3.77Å; F79-F104 HydrophobicContact CZ-CZ 4.38Å; L100-F104 HydrophobicContact CD2-CB 4.43Å; L100-F104 HydrophobicContact CD2-CD2 3.87Å; L100-F104 HydrophobicContact CD2-CG 4.35Å; L100-F104 VanDerWaalsContact O-CB 3.23Å; L100-F104 WeakPolarHBondContact O-CB 3.31Å; L100-F104 PolarHBondContact O-N 3.48Å; F104-G106 VanDerWaalsContact CD1-O 3.24Å; F104-G106 WeakPolarHBondContact CD1-O 3.26Å; F104-L108 HydrophobicContact CD1-CB 3.8Å; F104-L108 HydrophobicContact CE1-CB 4.07Å
105P83.1Confident88.8Confident62 Ų6236.7 Ų36.740%0.40320%0.197SC..SBendtrans-89.8-0.6-170.433.8-34.4000115.1M62 Q63M62-P105 HydrophobicContact CB-CG 4.21Å; Q63-P105 HydrophobicContact CG-CB 4.27Å; Q63-P105 HydrophobicContact CG-CG 4.01Å
106G78.6Confident88.5Confident24 Ų2434.8 Ų34.825%0.24718%0.184CC..SBendtrans-120.2-175.1176.500000112.7F104 L108F104-G106 VanDerWaalsContact CD1-O 3.24Å; F104-G106 WeakPolarHBondContact CD1-O 3.26Å; G106-L108 PolarHBondContact O-N 3.24Å
107N85.1Confident87.4Confident101 Ų10141 Ų4154%0.5421%0.213SC..EExtended strand (participates in β ladder)trans-81114175.1-55.7-53.3000110.1Q77 E78 F79Q77-N107 PolarHBondContact O-ND2 3.46Å; Q77-N107 VanDerWaalsContact O-ND2 3.08Å; E78-N107 CarbonylContact C-O 3.58Å; E78-N107 VanDerWaalsContact CA-O 3.26Å; E78-N107 WeakPolarHBondContact CA-O 3.46Å; E78-N107 HydrophobicContact CB-CB 4.33Å; E78-N107 HydrophobicContact CG-CB 3.95Å; F79-N107 PolarHBondContact N-O 2.94Å
108L89.8Confident86.1Confident25 Ų2542.1 Ų42.113%0.13123%0.225CC..EExtended strand (participates in β ladder)trans-102.3114.5175.7177.853.3000109.8F79 V81 L100 F104 G106 I111 I138F79-L108 HydrophobicContact CB-CD1 4.02Å; F79-L108 WeakPolarHBondContact O-CD1 3.43Å; V81-L108 HydrophobicContact CB-CD1 4.05Å; V81-L108 HydrophobicContact CG2-CD1 3.43Å; V81-L108 VanDerWaalsContact CG2-CD1 3.43Å; V81-L108 HydrophobicContact CG2-CD2 4.1Å; V81-L108 HydrophobicContact CG2-CG 4.44Å; L100-L108 HydrophobicContact CB-CD2 3.94Å; L100-L108 HydrophobicContact CD1-CD2 4.35Å; L100-L108 HydrophobicContact CD2-CD2 4.06Å; L100-L108 HydrophobicContact CG-CD2 4.34Å; F104-L108 HydrophobicContact CD1-CB 3.8Å; F104-L108 HydrophobicContact CE1-CB 4.07Å; G106-L108 PolarHBondContact O-N 3.24Å; L108-I111 HydrophobicContact CD2-CD1 4.04Å; L108-I111 HydrophobicContact CD2-CG1 4.11Å; L108-I111 HydrophobicContact CG-CG1 4.43Å; L108-I138 HydrophobicContact CB-CD1 4.16Å; L108-I138 HydrophobicContact CD2-CD1 3.75Å; L108-I138 HydrophobicContact CG-CD1 3.98Å; L108-I138 HydrophobicContact CG-CG2 4.2Å
109H91.5Very high84.5Confident75 Ų7549.4 Ų49.435%0.34725%0.25SS..EExtended strand (participates in β ladder)trans-80.9-46.7-172.7-166110.6000112.6R40 E78 F79 P139R40-H109 PolarHBondContact NH1-CD2 3.36Å; R40-H109 PolarHBondContact NH1-CE1 2.87Å; R40-H109 PolarHBondContact NH1-ND1 2.84Å; R40-H109 PolarHBondContact NH1-NE2 3.19Å; E78-H109 HydrophobicContact CB-CB 4.47Å; E78-H109 IonicContact OE2-CE1 3.95Å; E78-H109 IonicContact OE2-CG 3.19Å; E78-H109 IonicContact OE2-ND1 2.69Å; E78-H109 PolarHBondContact OE2-ND1 2.92Å; F79-H109 WeakPolarHBondContact O-CB 3.44Å; F79-H109 PolarHBondContact O-N 3.07Å; H109-P139 VanDerWaalsContact O-CD 3.32Å; H109-P139 WeakPolarHBondContact O-CD 3.4Å
110Q93.3Very high82.8Confident16 Ų1653.7 Ų53.78%0.07527%0.273CS..EExtended strand (participates in β ladder)trans-156.7158.2-174.159.1-175.1-2.600111.7D36 R40 T80 V81 F112 P139D36-Q110 PolarHBondContact OD2-NE2 3.1Å; R40-Q110 VanDerWaalsContact NH2-NE2 3.14Å; T80-Q110 HydrophobicContact CG2-CG 4.05Å; T80-Q110 WeakPolarHBondContact OG1-CG 3.34Å; T80-Q110 PolarHBondContact OG1-NE2 3.29Å; V81-Q110 PolarHBondContact N-O 2.9Å; Q110-F112 HydrophobicContact CG-CE2 4.22Å; Q110-P139 HydrophobicContact CB-CB 4.2Å
111I95Very high81.3Confident0 Ų058.6 Ų58.60%030%0.296CS..EExtended strand (participates in β ladder)trans-128.5118.2177.2-50.9179000108.9V81 I83 L100 L108 I113 I138 P139 L140 I141V81-I111 HydrophobicContact CB-CG1 4.31Å; V81-I111 HydrophobicContact CB-CG2 4.33Å; V81-I111 HydrophobicContact CG1-CG2 4.09Å; V81-I111 CarbonylContact O-C 3.57Å; V81-I111 WeakPolarHBondContact O-CA 3.34Å; I83-I111 HydrophobicContact CD1-CG2 3.62Å; I83-I111 HydrophobicContact CG1-CG2 3.92Å; L100-I111 HydrophobicContact CB-CD1 4.41Å; L100-I111 HydrophobicContact CD1-CD1 4Å; L108-I111 HydrophobicContact CD2-CD1 4.04Å; L108-I111 HydrophobicContact CD2-CG1 4.11Å; L108-I111 HydrophobicContact CG-CG1 4.43Å; I111-I113 HydrophobicContact CG2-CD1 4.4Å; I111-I113 HydrophobicContact CG2-CG1 3.95Å; I111-I138 HydrophobicContact CD1-CB 4.44Å; I111-I138 HydrophobicContact CD1-CG2 4.28Å; I111-I138 HydrophobicContact CG1-CG2 4.01Å; I111-P139 PolarHBondContact N-O 2.93Å; I111-L140 HydrophobicContact CB-CD2 3.73Å; I111-L140 HydrophobicContact CD1-CD2 3.91Å; I111-L140 HydrophobicContact CG1-CD2 4.16Å; I111-L140 HydrophobicContact CG2-CD2 4.35Å; I111-L140 WeakPolarHBondContact O-CA 3.25Å; I111-I141 PolarHBondContact O-N 3.31Å
112F94.6Very high79.9Confident0 Ų058.1 Ų58.10%030%0.296CS..EExtended strand (participates in β ladder)trans-84.8135.2166.6-68.8-88.1000109.9T80 V81 I82 I83 Q110 I141 V143 L149 F152T80-F112 HydrophobicContact CG2-CD2 3.84Å; T80-F112 HydrophobicContact CG2-CE2 3.73Å; V81-F112 PolarHBondContact O-N 2.94Å; I82-F112 CarbonylContact C-O 3.47Å; I82-F112 HydrophobicContact CG2-CB 4.43Å; I83-F112 PolarHBondContact N-O 2.91Å; Q110-F112 HydrophobicContact CG-CE2 4.22Å; F112-I141 CarbonylContact C-O 3.56Å; F112-I141 WeakPolarHBondContact CA-O 3.43Å; F112-I141 HydrophobicContact CD1-CB 3.78Å; F112-I141 HydrophobicContact CD1-CD1 4.29Å; F112-I141 HydrophobicContact CD1-CG2 3.76Å; F112-I141 HydrophobicContact CE1-CB 3.94Å; F112-I141 HydrophobicContact CE1-CD1 3.66Å; F112-I141 HydrophobicContact CE1-CG1 4.4Å; F112-I141 HydrophobicContact CE1-CG2 3.74Å; F112-I141 HydrophobicContact CE2-CD1 4.48Å; F112-I141 HydrophobicContact CG-CB 4.49Å; F112-I141 HydrophobicContact CZ-CD1 3.76Å; F112-V143 HydrophobicContact CD1-CG2 4.05Å; F112-L149 HydrophobicContact CB-CD2 3.89Å; F112-L149 HydrophobicContact CD1-CD2 3.69Å; F112-L149 HydrophobicContact CE1-CD2 4.37Å; F112-L149 HydrophobicContact CG-CD2 3.81Å; F112-F152 AromaticContact CE1-CD2 3.67Å; F112-F152 HydrophobicContact CE1-CD2 3.67Å; F112-F152 AromaticContact CE1-CE2 3.95Å; F112-F152 HydrophobicContact CE1-CE2 3.95Å; F112-F152 HydrophobicContact CE1-CG 4.06Å; F112-F152 HydrophobicContact CZ-CB 3.86Å; F112-F152 HydrophobicContact CZ-CD1 4.12Å; F112-F152 AromaticContact CZ-CD2 3.76Å; F112-F152 HydrophobicContact CZ-CD2 3.76Å; F112-F152 HydrophobicContact CZ-CE2 4.34Å; F112-F152 AromaticContact CZ-CG 3.64Å; F112-F152 HydrophobicContact CZ-CG 3.64Å
113I93Very high78.6Confident0 Ų058.3 Ų58.30%030%0.295CS..EExtended strand (participates in β ladder)trans-128.8115.5179-54.5-179.8000109.1I83 W90 V93 V97 I111 I132 L140 I141 F142 V143I83-I113 HydrophobicContact CB-CG1 4.46Å; I83-I113 HydrophobicContact CD1-CG1 4.37Å; I83-I113 WeakPolarHBondContact O-CA 3.26Å; W90-I113 HydrophobicContact CH2-CG2 3.69Å; W90-I113 HydrophobicContact CZ2-CG2 4.26Å; W90-I113 HydrophobicContact CZ3-CG2 4.33Å; V93-I113 HydrophobicContact CG1-CD1 4.37Å; V93-I113 HydrophobicContact CG1-CG2 3.83Å; V97-I113 HydrophobicContact CG2-CD1 3.82Å; I111-I113 HydrophobicContact CG2-CD1 4.4Å; I111-I113 HydrophobicContact CG2-CG1 3.95Å; I113-I132 HydrophobicContact CD1-CG2 4.44Å; I113-L140 HydrophobicContact CD1-CD1 4.25Å; I113-L140 HydrophobicContact CD1-CD2 4.32Å; I113-I141 PolarHBondContact N-O 3.26Å; I113-F142 HydrophobicContact CB-CD1 3.85Å; I113-F142 HydrophobicContact CB-CE1 4.07Å; I113-F142 HydrophobicContact CD1-CD1 4.38Å; I113-F142 HydrophobicContact CD1-CE1 3.75Å; I113-F142 HydrophobicContact CD1-CZ 4.05Å; I113-F142 HydrophobicContact CG1-CE1 4.44Å; I113-F142 HydrophobicContact CG2-CD1 4.05Å; I113-F142 HydrophobicContact CG2-CE1 4.1Å; I113-F142 WeakPolarHBondContact O-CA 3.45Å; I113-V143 PolarHBondContact O-N 3.18Å
114I90Very high77.6Confident1 Ų161.5 Ų61.51%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-85.1126.5-177.6-46.4177.5000109.8I82 I83 D84 G85 R86 V143 T146 L149 L162I82-I114 HydrophobicContact CG2-CD1 4.18Å; I82-I114 HydrophobicContact CG2-CG1 4.43Å; I83-I114 PolarHBondContact O-N 2.91Å; D84-I114 HydrophobicContact CB-CD1 4.49Å; G85-I114 CarbonylContact C-O 3.57Å; G85-I114 VanDerWaalsContact CA-O 3.32Å; G85-I114 WeakPolarHBondContact CA-O 3.5Å; G85-I114 PolarHBondContact N-O 2.98Å; R86-I114 HydrophobicContact CG-CB 4.33Å; R86-I114 HydrophobicContact CG-CG2 3.61Å; I114-V143 HydrophobicContact CG2-CG1 4.42Å; I114-T146 HydrophobicContact CD1-CG2 4.22Å; I114-L149 HydrophobicContact CD1-CD1 4.14Å; I114-L162 HydrophobicContact CD1-CD2 3.74Å
115K86.6Confident77Confident31 Ų3161.6 Ų61.614%0.13531%0.311CS..PPolyproline II helixtrans-82.7152.1-178.6-73.3-176.3-94.2158.30112.6W90 I129 F142 V143 D144W90-K115 HydrophobicContact CH2-CG 4.2Å; W90-K115 HydrophobicContact CZ2-CG 4.44Å; K115-I129 HydrophobicContact CD-CD1 4.01Å; K115-F142 HydrophobicContact CD-CB 4.43Å; K115-V143 WeakPolarHBondContact CB-O 3.46Å; K115-V143 PolarHBondContact N-O 3.34Å; K115-D144 WeakPolarHBondContact CD-OD1 3.49Å; K115-D144 WeakPolarHBondContact CE-OD1 3.34Å; K115-D144 IonicContact NZ-OD1 3.81Å; K115-D144 PolarHBondContact NZ-OD1 3.14Å; K115-D144 IonicContact NZ-OD2 2.67Å; K115-D144 PolarHBondContact NZ-OD2 3.14Å
116P80.1Confident76.7Confident12 Ų1264 Ų648%0.07832%0.317CS..PPolyproline II helixtrans-68.8135.2174.129.2-35.5000112.1R86 G118 Q121 L125R86-P116 WeakPolarHBondContact O-CA 3.42Å; R86-P116 VanDerWaalsContact O-CB 3.3Å; R86-P116 WeakPolarHBondContact O-CB 3.37Å; P116-G118 PolarHBondContact O-N 3.13Å; P116-Q121 HydrophobicContact CG-CB 4.39Å; P116-L125 HydrophobicContact CG-CD2 3.45Å; P116-L125 VanDerWaalsContact CG-CD2 3.45Å
117Q66.7Low76.8Confident139 Ų13971.4 Ų71.465%0.6534%0.342SS*.SBendtrans-81.677.6-177.3-67.9-170-16.500111.9D144Q117-D144 PolarHBondContact NE2-O 3.09Å
118G64.3Low76.6Confident27 Ų2769 Ų6928%0.27833%0.331SS..  trans-163.2124.4173.500000112.9P116 M120 Q121 S122P116-G118 PolarHBondContact O-N 3.13Å; G118-M120 VanDerWaalsContact C-N 3.35Å; G118-M120 PolarHBondContact O-N 2.92Å; G118-Q121 PolarHBondContact O-N 3.17Å; G118-S122 PolarHBondContact O-N 3.48Å
119F56.1Low76.3Confident192 Ų19268.8 Ų68.884%0.84233%0.33SS*.Hα-helixtrans-52.3-48.1-175.7-177.1-98.1000113.2F123F119-F123 PolarHBondContact O-N 3.05Å
120M54.4Low76Confident128 Ų12868.4 Ų68.463%0.63133%0.33SS*.Hα-helixtrans-66.2-39.8177.1-69.7-77.2-80.400112.6G118 F124G118-M120 VanDerWaalsContact C-N 3.35Å; G118-M120 PolarHBondContact O-N 2.92Å; M120-F124 HydrophobicContact CE-CE2 4.18Å; M120-F124 WeakPolarHBondContact O-CD2 3.24Å; M120-F124 PolarHBondContact O-N 3.01Å
121Q59.7Low75.6Confident107 Ų10769.7 Ų69.750%0.534%0.341SS..Hα-helixtrans-67.2-47.1-178.8-70.8175.2-20.300111P116 G118 F123 F124 L125P116-Q121 HydrophobicContact CG-CB 4.39Å; G118-Q121 PolarHBondContact O-N 3.17Å; Q121-F123 VanDerWaalsContact C-N 3.31Å; Q121-F123 PolarHBondContact O-N 3.41Å; Q121-F124 PolarHBondContact O-N 2.66Å; Q121-L125 WeakPolarHBondContact O-CB 3.32Å; Q121-L125 WeakPolarHBondContact O-CD1 3.46Å; Q121-L125 PolarHBondContact O-N 2.77Å
122S59.6Low75.3Confident35 Ų3569.9 Ų69.925%0.24534%0.342CS..Hα-helixtrans-60.6-39.2179.9-154.80000111.9G118 L125 E126G118-S122 PolarHBondContact O-N 3.48Å; S122-L125 PolarHBondContact O-N 2.88Å; S122-E126 PolarHBondContact O-N 3.04Å
123F59.9Low74.9Confident146 Ų14676.3 Ų76.364%0.6437%0.367SS*.Hα-helixtrans-62.9-44.8175.4-172.9-100.2000113.3F119 Q121 L125F119-F123 PolarHBondContact O-N 3.05Å; Q121-F123 VanDerWaalsContact C-N 3.31Å; Q121-F123 PolarHBondContact O-N 3.41Å; F123-L125 VanDerWaalsContact C-N 3.27Å; F123-L125 PolarHBondContact O-N 3.23Å
124F62.3Low74.5Confident144 Ų14484.1 Ų84.163%0.63240%0.403SS*.Hα-helixtrans-72.1-20.3176.6-69.5-60.4000113.5M120 Q121M120-F124 HydrophobicContact CE-CE2 4.18Å; M120-F124 WeakPolarHBondContact O-CD2 3.24Å; M120-F124 PolarHBondContact O-N 3.01Å; Q121-F124 PolarHBondContact O-N 2.66Å
125L74.4Confident74.1Confident29 Ų2986.7 Ų86.715%0.15243%0.43CS..Hα-helixtrans-78.3-20.9179.8-109.463000114.5W90 P116 Q121 S122 F123 K127 T128 I129W90-L125 HydrophobicContact CD2-CD2 3.55Å; W90-L125 HydrophobicContact CD2-CG 4.08Å; W90-L125 VanDerWaalsContact CE2-CD2 3.44Å; W90-L125 HydrophobicContact CE3-CD2 4.07Å; W90-L125 HydrophobicContact CE3-CG 4.4Å; W90-L125 HydrophobicContact CG-CD2 3.93Å; W90-L125 HydrophobicContact CG-CG 4.23Å; W90-L125 HydrophobicContact CH2-CD2 4.37Å; W90-L125 HydrophobicContact CZ2-CD2 3.9Å; W90-L125 HydrophobicContact CZ3-CD2 4.45Å; P116-L125 HydrophobicContact CG-CD2 3.45Å; P116-L125 VanDerWaalsContact CG-CD2 3.45Å; Q121-L125 WeakPolarHBondContact O-CB 3.32Å; Q121-L125 WeakPolarHBondContact O-CD1 3.46Å; Q121-L125 PolarHBondContact O-N 2.77Å; S122-L125 PolarHBondContact O-N 2.88Å; F123-L125 VanDerWaalsContact C-N 3.27Å; F123-L125 PolarHBondContact O-N 3.23Å; L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 3.16Å; L125-K127 VanDerWaalsContact O-N 3.16Å; L125-T128 CarbonylContact O-C 3.52Å; L125-T128 WeakPolarHBondContact O-CA 3.32Å; L125-T128 WeakPolarHBondContact O-CB 3.41Å; L125-T128 PolarHBondContact O-N 2.98Å; L125-I129 HydrophobicContact CB-CD1 3.98Å; L125-I129 HydrophobicContact CB-CG1 4.44Å; L125-I129 PolarHBondContact O-N 3.29Å
126E76Confident74.1Confident113 Ų11386 Ų8653%0.52843%0.429SS..Hα-helixtrans-55.5-39.5-169.2-170.3173.2-152.400113.2S122 T128 I129 N130S122-E126 PolarHBondContact O-N 3.04Å; E126-T128 VanDerWaalsContact C-N 3.33Å; E126-T128 PolarHBondContact O-N 3.21Å; E126-I129 PolarHBondContact O-N 3.21Å; E126-N130 WeakPolarHBondContact O-CB 3.32Å; E126-N130 PolarHBondContact O-N 2.9Å; E126-N130 PolarHBondContact O-ND2 3.47Å
127K80Confident74.5Confident179 Ų17994.8 Ų94.878%0.77847%0.466SS*.Hα-helixtrans-63-36.5174.4-173177-178.8179.60112.9L125 S131L125-K127 VanDerWaalsContact C-N 3.27Å; L125-K127 PolarHBondContact O-N 3.16Å; L125-K127 VanDerWaalsContact O-N 3.16Å; K127-S131 WeakPolarHBondContact O-CB 3.39Å; K127-S131 PolarHBondContact O-N 3.3Å; K127-S131 VanDerWaalsContact O-N 3.11Å
128T81.8Confident75.6Confident51 Ų5189.5 Ų89.531%0.31344%0.442SS..Hα-helixtrans-74.8-42.2177.5-55.50000110.9W90 L125 E126 N130 S131 I132W90-T128 HydrophobicContact CB-CG2 4.17Å; W90-T128 HydrophobicContact CE3-CG2 4.46Å; L125-T128 CarbonylContact O-C 3.52Å; L125-T128 WeakPolarHBondContact O-CA 3.32Å; L125-T128 WeakPolarHBondContact O-CB 3.41Å; L125-T128 PolarHBondContact O-N 2.98Å; E126-T128 VanDerWaalsContact C-N 3.33Å; E126-T128 PolarHBondContact O-N 3.21Å; T128-N130 PolarHBondContact O-N 3.32Å; T128-S131 CarbonylContact O-C 3.48Å; T128-S131 PolarHBondContact O-N 2.96Å; T128-I132 HydrophobicContact CG2-CD1 4.1Å; T128-I132 VanDerWaalsContact O-CG1 3.3Å; T128-I132 WeakPolarHBondContact O-CG1 3.43Å; T128-I132 PolarHBondContact O-N 3.31Å
129I83.8Confident76.9Confident19 Ų1991.7 Ų91.710%0.09745%0.451CS..Hα-helixtrans-55.8-49.8173.6-71.9164.6000110.4W90 K115 L125 E126 S131 I132 R133 F142W90-I129 HydrophobicContact CE3-CG1 4.23Å; W90-I129 HydrophobicContact CH2-CG1 4.16Å; W90-I129 HydrophobicContact CZ3-CD1 4.42Å; W90-I129 HydrophobicContact CZ3-CG1 3.56Å; K115-I129 HydrophobicContact CD-CD1 4.01Å; L125-I129 HydrophobicContact CB-CD1 3.98Å; L125-I129 HydrophobicContact CB-CG1 4.44Å; L125-I129 PolarHBondContact O-N 3.29Å; E126-I129 PolarHBondContact O-N 3.21Å; I129-S131 PolarHBondContact O-N 3.46Å; I129-I132 PolarHBondContact O-N 3.36Å; I129-I132 VanDerWaalsContact O-N 3.14Å; I129-R133 PolarHBondContact O-N 3Å; I129-F142 HydrophobicContact CB-CE1 4.49Å; I129-F142 HydrophobicContact CG1-CE1 4.33Å; I129-F142 HydrophobicContact CG2-CD1 4.15Å; I129-F142 HydrophobicContact CG2-CD2 4.29Å; I129-F142 HydrophobicContact CG2-CE1 3.93Å; I129-F142 HydrophobicContact CG2-CE2 4.08Å; I129-F142 HydrophobicContact CG2-CG 4.32Å; I129-F142 HydrophobicContact CG2-CZ 3.89Å
130N84.3Confident78.7Confident67 Ų6783.5 Ų83.536%0.35842%0.416SS..Hα-helixtrans-62.3-42.1177.2-70-24.5000111.7E126 T128 I132 R133 E134E126-N130 WeakPolarHBondContact O-CB 3.32Å; E126-N130 PolarHBondContact O-N 2.9Å; E126-N130 PolarHBondContact O-ND2 3.47Å; T128-N130 PolarHBondContact O-N 3.32Å; N130-I132 PolarHBondContact O-N 3.49Å; N130-R133 PolarHBondContact O-N 2.88Å; N130-R133 VanDerWaalsContact O-N 3.16Å; N130-E134 WeakPolarHBondContact O-CB 3.38Å; N130-E134 WeakPolarHBondContact O-CG 3.25Å; N130-E134 PolarHBondContact O-N 3.42Å
131S85.6Confident80.5Confident44 Ų4479.9 Ų79.931%0.30840%0.398SS..Hα-helixtrans-68.1-17.2175.8-168.20000114.9K94 K127 T128 I129K94-S131 PolarHBondContact NZ-O 2.91Å; K94-S131 PolarHBondContact NZ-OG 2.99Å; K127-S131 WeakPolarHBondContact O-CB 3.39Å; K127-S131 PolarHBondContact O-N 3.3Å; K127-S131 VanDerWaalsContact O-N 3.11Å; T128-S131 CarbonylContact O-C 3.48Å; T128-S131 PolarHBondContact O-N 2.96Å; I129-S131 PolarHBondContact O-N 3.46Å
132I87.1Confident81.9Confident3 Ų376.2 Ų76.22%0.01538%0.381CS..Hα-helixtrans-84.2-43.6169.7-66.5164.6000109.5W90 V93 K94 V97 I113 T128 I129 N130 G135 C136 L140 F142W90-I132 HydrophobicContact CE3-CD1 3.82Å; W90-I132 HydrophobicContact CZ3-CD1 4.05Å; V93-I132 HydrophobicContact CG1-CD1 4.28Å; K94-I132 HydrophobicContact CB-CD1 4.03Å; K94-I132 HydrophobicContact CB-CG1 3.77Å; K94-I132 HydrophobicContact CD-CG1 4.03Å; K94-I132 HydrophobicContact CG-CG1 3.87Å; V97-I132 HydrophobicContact CB-CG2 4.21Å; V97-I132 HydrophobicContact CG1-CG2 3.99Å; V97-I132 HydrophobicContact CG2-CG2 4.13Å; I113-I132 HydrophobicContact CD1-CG2 4.44Å; T128-I132 HydrophobicContact CG2-CD1 4.1Å; T128-I132 VanDerWaalsContact O-CG1 3.3Å; T128-I132 WeakPolarHBondContact O-CG1 3.43Å; T128-I132 PolarHBondContact O-N 3.31Å; I129-I132 PolarHBondContact O-N 3.36Å; I129-I132 VanDerWaalsContact O-N 3.14Å; N130-I132 PolarHBondContact O-N 3.49Å; I132-G135 PolarHBondContact O-N 3.11Å; I132-C136 PolarHBondContact O-N 2.99Å; I132-L140 HydrophobicContact CG2-CD1 3.68Å; I132-F142 HydrophobicContact CG2-CZ 4.36Å
133R86.8Confident83.3Confident136 Ų13674.7 Ų74.751%0.51337%0.37SS..Hα-helixtrans-63.4-37.9177.5177.1173.7-85.1174.7-7.4113.5I129 N130 G135 F142I129-R133 PolarHBondContact O-N 3Å; N130-R133 PolarHBondContact O-N 2.88Å; N130-R133 VanDerWaalsContact O-N 3.16Å; R133-G135 VanDerWaalsContact C-N 3.3Å; R133-F142 HydrophobicContact CB-CE2 4.33Å
134E84.6Confident84.5Confident163 Ų16371.1 Ų71.176%0.76236%0.358SS*.THydrogen-bonded Turntrans-71.1-24.3174.6-71.7170176.200113N130N130-E134 WeakPolarHBondContact O-CB 3.38Å; N130-E134 WeakPolarHBondContact O-CG 3.25Å; N130-E134 PolarHBondContact O-N 3.42Å
135G82.4Confident85.6Confident55 Ų5568.3 Ų68.357%0.56735%0.345SS*.THydrogen-bonded Turntrans-92.6-9.4-17500000115.4I132 R133I132-G135 PolarHBondContact O-N 3.11Å; R133-G135 VanDerWaalsContact C-N 3.3Å
136C87.1Confident86.3Confident18 Ų1868.2 Ų68.212%0.12235%0.346CS..  trans-114.7137.7-175.2-162.10000111.7V97 I132 I138 L140V97-C136 HydrophobicContact CG1-CB 3.72Å; V97-C136 VanDerWaalsContact CG1-SG 3.58Å; I132-C136 PolarHBondContact O-N 2.99Å; C136-I138 PolarHBondContact SG-N 3.48Å; C136-L140 HydrophobicContact CB-CD1 3.88Å; C136-L140 HydrophobicContact CB-CD2 4.25Å; C136-L140 HydrophobicContact CB-CG 4.11Å
137K87.2Confident86.8Confident195 Ų19568.4 Ų68.485%0.84835%0.347SS*.SBendtrans-87.7-15.5173.5-63.3175.8-177.8171.10112.9N101N101-K137 PolarHBondContact OD1-N 3.1Å
138I90.1Very high87.3Confident28 Ų2863.4 Ų63.414%0.14433%0.326CS..SBendtrans-89.6137.7-175-54.1178.7000108.6L108 I111 C136 L140L108-I138 HydrophobicContact CB-CD1 4.16Å; L108-I138 HydrophobicContact CD2-CD1 3.75Å; L108-I138 HydrophobicContact CG-CD1 3.98Å; L108-I138 HydrophobicContact CG-CG2 4.2Å; I111-I138 HydrophobicContact CD1-CB 4.44Å; I111-I138 HydrophobicContact CD1-CG2 4.28Å; I111-I138 HydrophobicContact CG1-CG2 4.01Å; C136-I138 PolarHBondContact SG-N 3.48Å; I138-L140 WeakPolarHBondContact O-CG 3.38Å; I138-L140 PolarHBondContact O-N 3.06Å; I138-L140 VanDerWaalsContact O-N 3.11Å
139P92Very high87.8Confident74 Ų7461 Ų6148%0.48131%0.311SS..  trans-49115.1175.9-30.334.9000113.6H109 Q110 I111H109-P139 VanDerWaalsContact O-CD 3.32Å; H109-P139 WeakPolarHBondContact O-CD 3.4Å; Q110-P139 HydrophobicContact CB-CB 4.2Å; I111-P139 PolarHBondContact N-O 2.93Å
140L93.2Very high88.1Confident20 Ų2062.4 Ų62.411%0.10532%0.319CS..EExtended strand (participates in β ladder)trans-103.5112.3176.5-57.7-167.7000111.4V97 I111 I113 I132 C136 I138 F142V97-L140 HydrophobicContact CG1-CD1 4.27Å; V97-L140 HydrophobicContact CG1-CD2 4.24Å; I111-L140 HydrophobicContact CB-CD2 3.73Å; I111-L140 HydrophobicContact CD1-CD2 3.91Å; I111-L140 HydrophobicContact CG1-CD2 4.16Å; I111-L140 HydrophobicContact CG2-CD2 4.35Å; I111-L140 WeakPolarHBondContact O-CA 3.25Å; I113-L140 HydrophobicContact CD1-CD1 4.25Å; I113-L140 HydrophobicContact CD1-CD2 4.32Å; I132-L140 HydrophobicContact CG2-CD1 3.68Å; C136-L140 HydrophobicContact CB-CD1 3.88Å; C136-L140 HydrophobicContact CB-CD2 4.25Å; C136-L140 HydrophobicContact CB-CG 4.11Å; I138-L140 WeakPolarHBondContact O-CG 3.38Å; I138-L140 PolarHBondContact O-N 3.06Å; I138-L140 VanDerWaalsContact O-N 3.11Å; L140-F142 HydrophobicContact CB-CD2 4.4Å; L140-F142 HydrophobicContact CB-CE2 3.76Å; L140-F142 HydrophobicContact CB-CZ 4.26Å; L140-F142 HydrophobicContact CD1-CE2 4.19Å; L140-F142 HydrophobicContact CD1-CZ 3.98Å
141I91.9Very high88.4Confident51 Ų5163.3 Ų63.326%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-102.1110.1176.3-55.6174.1000107.9I111 F112 I113 V143I111-I141 PolarHBondContact O-N 3.31Å; F112-I141 CarbonylContact C-O 3.56Å; F112-I141 WeakPolarHBondContact CA-O 3.43Å; F112-I141 HydrophobicContact CD1-CB 3.78Å; F112-I141 HydrophobicContact CD1-CD1 4.29Å; F112-I141 HydrophobicContact CD1-CG2 3.76Å; F112-I141 HydrophobicContact CE1-CB 3.94Å; F112-I141 HydrophobicContact CE1-CD1 3.66Å; F112-I141 HydrophobicContact CE1-CG1 4.4Å; F112-I141 HydrophobicContact CE1-CG2 3.74Å; F112-I141 HydrophobicContact CE2-CD1 4.48Å; F112-I141 HydrophobicContact CG-CB 4.49Å; F112-I141 HydrophobicContact CZ-CD1 3.76Å; I113-I141 PolarHBondContact N-O 3.26Å; I141-V143 HydrophobicContact CG2-CG2 4.35Å
142F90.2Very high88.7Confident30 Ų3064.8 Ų64.813%0.13233%0.33CS..EExtended strand (participates in β ladder)trans-92.5127.9178-64.7-92.2000110.1W90 I113 K115 I129 I132 R133 L140W90-F142 HydrophobicContact CH2-CD1 4.28Å; W90-F142 HydrophobicContact CH2-CE1 4.3Å; W90-F142 HydrophobicContact CZ3-CD1 4.49Å; W90-F142 HydrophobicContact CZ3-CE1 4.1Å; I113-F142 HydrophobicContact CB-CD1 3.85Å; I113-F142 HydrophobicContact CB-CE1 4.07Å; I113-F142 HydrophobicContact CD1-CD1 4.38Å; I113-F142 HydrophobicContact CD1-CE1 3.75Å; I113-F142 HydrophobicContact CD1-CZ 4.05Å; I113-F142 HydrophobicContact CG1-CE1 4.44Å; I113-F142 HydrophobicContact CG2-CD1 4.05Å; I113-F142 HydrophobicContact CG2-CE1 4.1Å; I113-F142 WeakPolarHBondContact O-CA 3.45Å; K115-F142 HydrophobicContact CD-CB 4.43Å; I129-F142 HydrophobicContact CB-CE1 4.49Å; I129-F142 HydrophobicContact CG1-CE1 4.33Å; I129-F142 HydrophobicContact CG2-CD1 4.15Å; I129-F142 HydrophobicContact CG2-CD2 4.29Å; I129-F142 HydrophobicContact CG2-CE1 3.93Å; I129-F142 HydrophobicContact CG2-CE2 4.08Å; I129-F142 HydrophobicContact CG2-CG 4.32Å; I129-F142 HydrophobicContact CG2-CZ 3.89Å; I132-F142 HydrophobicContact CG2-CZ 4.36Å; R133-F142 HydrophobicContact CB-CE2 4.33Å; L140-F142 HydrophobicContact CB-CD2 4.4Å; L140-F142 HydrophobicContact CB-CE2 3.76Å; L140-F142 HydrophobicContact CB-CZ 4.26Å; L140-F142 HydrophobicContact CD1-CE2 4.19Å; L140-F142 HydrophobicContact CD1-CZ 3.98Å
143V88.8Confident89Confident3 Ų364.6 Ų64.62%0.01833%0.329CS..EExtended strand (participates in β ladder)trans-117133.4-169158.40000109.6F112 I113 I114 K115 I141 K145 E148 L149F112-V143 HydrophobicContact CD1-CG2 4.05Å; I113-V143 PolarHBondContact O-N 3.18Å; I114-V143 HydrophobicContact CG2-CG1 4.42Å; K115-V143 WeakPolarHBondContact CB-O 3.46Å; K115-V143 PolarHBondContact N-O 3.34Å; I141-V143 HydrophobicContact CG2-CG2 4.35Å; V143-K145 WeakPolarHBondContact CG1-O 3.5Å; V143-E148 WeakPolarHBondContact CA-OE2 3.26Å; V143-E148 HydrophobicContact CG1-CB 4.01Å; V143-E148 HydrophobicContact CG2-CB 4.36Å; V143-L149 HydrophobicContact CG2-CD2 4.19Å
144D85.4Confident89.2Confident72 Ų7261.4 Ų61.439%0.38532%0.322SS..SBendtrans-91.9-21.8178.1-75.4-57000113K115 Q117 E148K115-D144 WeakPolarHBondContact CD-OD1 3.49Å; K115-D144 WeakPolarHBondContact CE-OD1 3.34Å; K115-D144 IonicContact NZ-OD1 3.81Å; K115-D144 PolarHBondContact NZ-OD1 3.14Å; K115-D144 IonicContact NZ-OD2 2.67Å; K115-D144 PolarHBondContact NZ-OD2 3.14Å; Q117-D144 PolarHBondContact NE2-O 3.09Å; D144-E148 PolarHBondContact N-OE2 3.49Å
145K85.3Confident89.6Confident84 Ų8457.8 Ų57.837%0.36531%0.305SS..SBendtrans-141.4144.9175.1-62.6-171.7176.9-166.50112.8V143 E147 E148V143-K145 WeakPolarHBondContact CG1-O 3.5Å; K145-E147 HydrophobicContact CB-CB 4.15Å; K145-E147 HydrophobicContact CB-CG 4.49Å; K145-E147 HydrophobicContact CD-CB 4.4Å; K145-E147 VanDerWaalsContact CD-CD 3.46Å; K145-E147 HydrophobicContact CD-CG 4.32Å; K145-E147 WeakPolarHBondContact CD-OE2 3.36Å; K145-E147 VanDerWaalsContact NZ-CD 3.26Å; K145-E147 IonicContact NZ-OE1 3.59Å; K145-E147 PolarHBondContact NZ-OE1 3.04Å; K145-E147 IonicContact NZ-OE2 3.17Å; K145-E147 PolarHBondContact NZ-OE2 2.89Å; K145-E147 PolarHBondContact O-N 3.23Å; K145-E147 VanDerWaalsContact O-N 3.1Å; K145-E148 HydrophobicContact CB-CG 4.38Å; K145-E148 PolarHBondContact N-OE1 3.27Å; K145-E148 WeakPolarHBondContact O-CB 3.47Å; K145-E148 PolarHBondContact O-N 2.98Å
146T87.7Confident89.9Confident28 Ų2860.2 Ų60.217%0.17230%0.301CS..G310 helixtrans-51.2-33.6170.141.10000113.9I114 E148 L149 L162I114-T146 HydrophobicContact CD1-CG2 4.22Å; T146-E148 PolarHBondContact O-N 3.48Å; T146-E148 VanDerWaalsContact O-N 3.1Å; T146-L149 WeakPolarHBondContact O-CB 3.19Å; T146-L149 PolarHBondContact O-N 2.96Å; T146-L162 VanDerWaalsContact CB-O 3.24Å; T146-L162 WeakPolarHBondContact CB-O 3.48Å; T146-L162 VanDerWaalsContact CG2-O 3.31Å; T146-L162 WeakPolarHBondContact CG2-O 3.35Å
147E87.1Confident90.1Very high117 Ų11759.8 Ų59.855%0.54730%0.298SS..G310 helixtrans-49.3-31.6171.6-63.6164.5-151.900113.5K145 L149 L150K145-E147 HydrophobicContact CB-CB 4.15Å; K145-E147 HydrophobicContact CB-CG 4.49Å; K145-E147 HydrophobicContact CD-CB 4.4Å; K145-E147 VanDerWaalsContact CD-CD 3.46Å; K145-E147 HydrophobicContact CD-CG 4.32Å; K145-E147 WeakPolarHBondContact CD-OE2 3.36Å; K145-E147 VanDerWaalsContact NZ-CD 3.26Å; K145-E147 IonicContact NZ-OE1 3.59Å; K145-E147 PolarHBondContact NZ-OE1 3.04Å; K145-E147 IonicContact NZ-OE2 3.17Å; K145-E147 PolarHBondContact NZ-OE2 2.89Å; K145-E147 PolarHBondContact O-N 3.23Å; K145-E147 VanDerWaalsContact O-N 3.1Å; E147-L149 VanDerWaalsContact C-N 3.3Å; E147-L149 PolarHBondContact O-N 2.94Å; E147-L150 WeakPolarHBondContact O-CB 3.47Å; E147-L150 WeakPolarHBondContact O-CG 3.28Å; E147-L150 PolarHBondContact O-N 2.72Å
148E90.2Very high90.4Very high73 Ų7350.5 Ų50.534%0.34126%0.257SS..G310 helixtrans-80.6-5.6-177.9-59.9157-154.700113.5V143 D144 K145 T146 P151V143-E148 WeakPolarHBondContact CA-OE2 3.26Å; V143-E148 HydrophobicContact CG1-CB 4.01Å; V143-E148 HydrophobicContact CG2-CB 4.36Å; D144-E148 PolarHBondContact N-OE2 3.49Å; K145-E148 HydrophobicContact CB-CG 4.38Å; K145-E148 PolarHBondContact N-OE1 3.27Å; K145-E148 WeakPolarHBondContact O-CB 3.47Å; K145-E148 PolarHBondContact O-N 2.98Å; T146-E148 PolarHBondContact O-N 3.48Å; T146-E148 VanDerWaalsContact O-N 3.1Å; E148-P151 WeakPolarHBondContact O-CD 3.4Å
149L92.4Very high90.4Very high0 Ų049.3 Ų49.30%025%0.252CS..G310 helixtrans-79.8-28.9169.5-60.4172.8000111.7I82 F112 I114 V143 T146 E147 F152 I153 L158I82-L149 HydrophobicContact CD1-CD1 4.46Å; I82-L149 HydrophobicContact CG2-CD1 4.47Å; F112-L149 HydrophobicContact CB-CD2 3.89Å; F112-L149 HydrophobicContact CD1-CD2 3.69Å; F112-L149 HydrophobicContact CE1-CD2 4.37Å; F112-L149 HydrophobicContact CG-CD2 3.81Å; I114-L149 HydrophobicContact CD1-CD1 4.14Å; V143-L149 HydrophobicContact CG2-CD2 4.19Å; T146-L149 WeakPolarHBondContact O-CB 3.19Å; T146-L149 PolarHBondContact O-N 2.96Å; E147-L149 VanDerWaalsContact C-N 3.3Å; E147-L149 PolarHBondContact O-N 2.94Å; L149-F152 PolarHBondContact O-N 3.33Å; L149-I153 PolarHBondContact O-N 3.33Å; L149-L158 HydrophobicContact CB-CD1 4.01Å; L149-L158 HydrophobicContact CD1-CD1 4.44Å
150L90.4Very high90.3Very high50 Ų5049.7 Ų49.726%0.26225%0.25SC..THydrogen-bonded Turntrans-60.8-28.8-173.9-54.2-173000115.5K37 E147 F152 I153 Q155 L158K37-L150 PolarHBondContact NZ-O 3.49Å; E147-L150 WeakPolarHBondContact O-CB 3.47Å; E147-L150 WeakPolarHBondContact O-CG 3.28Å; E147-L150 PolarHBondContact O-N 2.72Å; L150-F152 PolarHBondContact O-N 3.48Å; L150-I153 WeakPolarHBondContact CA-O 3.32Å; L150-Q155 HydrophobicContact CD1-CG 4.21Å; L150-Q155 HydrophobicContact CD2-CG 3.61Å; L150-L158 HydrophobicContact CD2-CD1 3.85Å
151P91Very high90Very high86 Ų8651.7 Ų51.756%0.55826%0.26SS*.THydrogen-bonded Turntrans-58.1-33.4168.3-27.236.9000113.5K37 E148K37-P151 VanDerWaalsContact CD-O 3.29Å; K37-P151 WeakPolarHBondContact CD-O 3.4Å; K37-P151 PolarHBondContact NZ-O 2.84Å; E148-P151 WeakPolarHBondContact O-CD 3.4Å
152F92Very high89.9Confident74 Ų7449.2 Ų49.233%0.32525%0.248SC..THydrogen-bonded Turntrans-102.5-28.2-172.1-53.2-82.5000114K37 F112 L149 L150K37-F152 WeakPolarHBondContact CB-O 3.5Å; K37-F152 VanDerWaalsContact CG-O 3.3Å; K37-F152 WeakPolarHBondContact CG-O 3.39Å; K37-F152 PolarHBondContact N-O 3.36Å; F112-F152 AromaticContact CE1-CD2 3.67Å; F112-F152 HydrophobicContact CE1-CD2 3.67Å; F112-F152 AromaticContact CE1-CE2 3.95Å; F112-F152 HydrophobicContact CE1-CE2 3.95Å; F112-F152 HydrophobicContact CE1-CG 4.06Å; F112-F152 HydrophobicContact CZ-CB 3.86Å; F112-F152 HydrophobicContact CZ-CD1 4.12Å; F112-F152 AromaticContact CZ-CD2 3.76Å; F112-F152 HydrophobicContact CZ-CD2 3.76Å; F112-F152 HydrophobicContact CZ-CE2 4.34Å; F112-F152 AromaticContact CZ-CG 3.64Å; F112-F152 HydrophobicContact CZ-CG 3.64Å; L149-F152 PolarHBondContact O-N 3.33Å; L150-F152 PolarHBondContact O-N 3.48Å
153I93.4Very high89.6Confident0 Ų049.7 Ų49.70%026%0.261CS..SBendtrans-135.8127.3-174.4-50.7173.1000108.6D36 L42 I82 L149 L150 H157 L158D36-I153 HydrophobicContact CB-CG1 3.9Å; L42-I153 HydrophobicContact CD1-CD1 4.34Å; L42-I153 HydrophobicContact CD1-CG2 3.8Å; L42-I153 HydrophobicContact CD2-CD1 3.74Å; L42-I153 HydrophobicContact CD2-CG1 4.42Å; I82-I153 HydrophobicContact CD1-CD1 3.72Å; I82-I153 HydrophobicContact CG1-CD1 4.37Å; L149-I153 PolarHBondContact O-N 3.33Å; L150-I153 WeakPolarHBondContact CA-O 3.32Å; I153-H157 HydrophobicContact CG2-CB 3.94Å; I153-L158 HydrophobicContact CB-CD1 4.24Å; I153-L158 HydrophobicContact CB-CD2 4.41Å; I153-L158 HydrophobicContact CB-CG 4.21Å; I153-L158 HydrophobicContact CD1-CD2 4.09Å; I153-L158 HydrophobicContact CG2-CD1 4.28Å; I153-L158 HydrophobicContact CG2-CD2 4Å; I153-L158 HydrophobicContact CG2-CG 3.73Å
154D91Very high89.6Confident68 Ų6850.1 Ų50.136%0.36427%0.266SS..  trans-74.1149.1178.1-63.5-60.9000112.2K37 Q156 H157K37-D154 WeakPolarHBondContact CE-OD1 3.42Å; K37-D154 WeakPolarHBondContact CE-OD2 3.44Å; K37-D154 WeakPolarHBondContact CG-OD2 3.41Å; K37-D154 IonicContact NZ-OD1 2.69Å; K37-D154 PolarHBondContact NZ-OD1 3.13Å; D154-Q156 VanDerWaalsContact C-N 3.26Å; D154-Q156 HydrophobicContact CB-CG 4.34Å; D154-Q156 PolarHBondContact O-N 2.83Å; D154-Q156 VanDerWaalsContact O-N 3.15Å; D154-H157 PolarHBondContact O-N 3.29Å
155Q91.8Very high89.8Confident88 Ų8853 Ų5341%0.41128%0.277SS..G310 helixtrans-56.7-36.8-169.2-68.5179.1-81.600113.2L150 H157 L158 G164 E165L150-Q155 HydrophobicContact CD1-CG 4.21Å; L150-Q155 HydrophobicContact CD2-CG 3.61Å; Q155-H157 PolarHBondContact O-N 3.01Å; Q155-H157 VanDerWaalsContact O-N 3.16Å; Q155-L158 PolarHBondContact O-N 3.19Å; Q155-L158 VanDerWaalsContact O-N 3.14Å; Q155-G164 VanDerWaalsContact O-CA 3.31Å; Q155-G164 WeakPolarHBondContact O-CA 3.26Å; Q155-E165 HydrophobicContact CB-CG 4Å; Q155-E165 WeakPolarHBondContact CB-OE2 3.2Å; Q155-E165 PolarHBondContact O-N 2.92Å
156Q90.4Very high90Very high105 Ų10549.2 Ų49.249%0.49126%0.261SS..G310 helixtrans-56.9-23.5174.470.2-173.413.200115.3D154 V301D154-Q156 VanDerWaalsContact C-N 3.26Å; D154-Q156 HydrophobicContact CB-CG 4.34Å; D154-Q156 PolarHBondContact O-N 2.83Å; D154-Q156 VanDerWaalsContact O-N 3.15Å; Q156-V301 HydrophobicContact CB-CG2 4.37Å; Q156-V301 HydrophobicContact CG-CG2 4.29Å; Q156-V301 WeakPolarHBondContact O-CG2 3.37Å
157H91.4Very high90.1Very high9 Ų952.6 Ų52.64%0.04228%0.278CS..G310 helixtrans-96.9-13.2-180-58.9-66.4000113.3H35 L42 I153 D154 Q155 V301H35-H157 AromaticContact CD2-CE1 3.94Å; H35-H157 AromaticContact CE1-CE1 3.5Å; H35-H157 PolarHBondContact CE1-CE1 3.29Å; H35-H157 VanDerWaalsContact CE1-CE1 3.5Å; H35-H157 AromaticContact CE1-NE2 3.35Å; H35-H157 PolarHBondContact CE1-NE2 3.48Å; H35-H157 AromaticContact ND1-NE2 3.9Å; H35-H157 AromaticContact NE2-CE1 3.42Å; H35-H157 PolarHBondContact NE2-CE1 2.92Å; H35-H157 AromaticContact NE2-NE2 3.76Å; L42-H157 HydrophobicContact CD1-CB 4.14Å; I153-H157 HydrophobicContact CG2-CB 3.94Å; D154-H157 PolarHBondContact O-N 3.29Å; Q155-H157 PolarHBondContact O-N 3.01Å; Q155-H157 VanDerWaalsContact O-N 3.16Å; H157-V301 WeakPolarHBondContact ND1-CG2 3.17Å
158L91.8Very high90.2Very high0 Ų048 Ų480%026%0.256CS..SBendtrans-95.8143.6177.3-72173.9000110.8I82 L149 L150 I153 Q155 L162 G164 E165 L166I82-L158 HydrophobicContact CD1-CD2 3.48Å; I82-L158 VanDerWaalsContact CD1-CD2 3.48Å; L149-L158 HydrophobicContact CB-CD1 4.01Å; L149-L158 HydrophobicContact CD1-CD1 4.44Å; L150-L158 HydrophobicContact CD2-CD1 3.85Å; I153-L158 HydrophobicContact CB-CD1 4.24Å; I153-L158 HydrophobicContact CB-CD2 4.41Å; I153-L158 HydrophobicContact CB-CG 4.21Å; I153-L158 HydrophobicContact CD1-CD2 4.09Å; I153-L158 HydrophobicContact CG2-CD1 4.28Å; I153-L158 HydrophobicContact CG2-CD2 4Å; I153-L158 HydrophobicContact CG2-CG 3.73Å; Q155-L158 PolarHBondContact O-N 3.19Å; Q155-L158 VanDerWaalsContact O-N 3.14Å; L158-L162 HydrophobicContact CD2-CD1 4.2Å; L158-G164 CarbonylContact O-C 3.6Å; L158-G164 WeakPolarHBondContact O-CA 3.44Å; L158-E165 PolarHBondContact O-N 2.98Å; L158-L166 WeakPolarHBondContact O-CB 3.18Å; L158-L166 PolarHBondContact O-N 3.24Å
159T91.5Very high90.3Very high4 Ų447.2 Ų47.23%0.02525%0.254CS..BIsolated β-bridgetrans-78155.8177.553.80000112T32 I44 D161 L162 G163 G164 L166 F168T32-T159 HydrophobicContact CG2-CG2 3.92Å; I44-T159 HydrophobicContact CD1-CG2 4.28Å; T159-D161 WeakPolarHBondContact CB-OD1 3.16Å; T159-D161 PolarHBondContact O-N 3.04Å; T159-D161 VanDerWaalsContact O-N 3.16Å; T159-D161 PolarHBondContact OG1-OD1 3.46Å; T159-L162 CarbonylContact O-C 3.39Å; T159-L162 WeakPolarHBondContact O-CA 3.47Å; T159-L162 PolarHBondContact O-N 3.47Å; T159-G163 PolarHBondContact O-N 2.62Å; T159-G164 PolarHBondContact O-N 3.16Å; T159-G164 VanDerWaalsContact O-N 3.16Å; T159-L166 WeakPolarHBondContact CA-O 3.16Å; T159-L166 HydrophobicContact CG2-CD2 4.44Å; T159-F168 HydrophobicContact CG2-CB 3.71Å; T159-F168 HydrophobicContact CG2-CG 4.33Å
160N89.7Confident90.2Very high82 Ų8247.4 Ų47.444%0.43926%0.255SS..G310 helixtrans-55-34-176.2-66-12.2000113.8L162 G163 G164 E165 L166 N167N160-L162 VanDerWaalsContact C-N 3.26Å; N160-L162 PolarHBondContact O-N 2.93Å; N160-G163 PolarHBondContact O-N 2.71Å; N160-G163 VanDerWaalsContact O-N 3.13Å; N160-G164 PolarHBondContact OD1-O 3.2Å; N160-E165 VanDerWaalsContact OD1-C 3.3Å; N160-L166 PolarHBondContact N-O 3.38Å; N160-L166 PolarHBondContact OD1-O 3.11Å; N160-N167 PolarHBondContact ND2-OD1 2.94Å
161D86.6Confident90.3Very high61 Ų6150.6 Ų50.633%0.32627%0.269SS..G310 helixtrans-68.1-22.8175.959.3-47.6000113.7Q46 R86 T159Q46-D161 PolarHBondContact NE2-OD2 3.19Å; R86-D161 PolarHBondContact NH1-O 3.4Å; R86-D161 VanDerWaalsContact NH1-O 3.17Å; R86-D161 PolarHBondContact NH2-O 3.04Å; T159-D161 WeakPolarHBondContact CB-OD1 3.16Å; T159-D161 PolarHBondContact O-N 3.04Å; T159-D161 VanDerWaalsContact O-N 3.16Å; T159-D161 PolarHBondContact OG1-OD1 3.46Å
162L89.6Confident90.3Very high0 Ų048.6 Ų48.60%025%0.254CS..G310 helixtrans-96.58.1172.6-59.3-174.8000113.2I44 I82 D84 I114 T146 L158 T159 N160I44-L162 HydrophobicContact CD1-CD1 3.95Å; I44-L162 HydrophobicContact CG1-CD1 4.16Å; I44-L162 HydrophobicContact CG2-CD1 3.84Å; I82-L162 HydrophobicContact CD1-CD1 4.02Å; I82-L162 HydrophobicContact CG2-CD1 4.17Å; D84-L162 HydrophobicContact CB-CD2 4.42Å; I114-L162 HydrophobicContact CD1-CD2 3.74Å; T146-L162 VanDerWaalsContact CB-O 3.24Å; T146-L162 WeakPolarHBondContact CB-O 3.48Å; T146-L162 VanDerWaalsContact CG2-O 3.31Å; T146-L162 WeakPolarHBondContact CG2-O 3.35Å; L158-L162 HydrophobicContact CD2-CD1 4.2Å; T159-L162 CarbonylContact O-C 3.39Å; T159-L162 WeakPolarHBondContact O-CA 3.47Å; T159-L162 PolarHBondContact O-N 3.47Å; N160-L162 VanDerWaalsContact C-N 3.26Å; N160-L162 PolarHBondContact O-N 2.93Å
163G83.9Confident90.3Very high39 Ų3945.2 Ų45.240%0.40224%0.238SC..THydrogen-bonded Turntrans77.519.6179.600000115T159 N160T159-G163 PolarHBondContact O-N 2.62Å; N160-G163 PolarHBondContact O-N 2.71Å; N160-G163 VanDerWaalsContact O-N 3.13Å
164G88.5Confident90.3Very high13 Ų1345.3 Ų45.313%0.13424%0.239CC..SBendtrans-89.7-166.916600000113.2Q155 L158 T159 N160Q155-G164 VanDerWaalsContact O-CA 3.31Å; Q155-G164 WeakPolarHBondContact O-CA 3.26Å; L158-G164 CarbonylContact O-C 3.6Å; L158-G164 WeakPolarHBondContact O-CA 3.44Å; T159-G164 PolarHBondContact O-N 3.16Å; T159-G164 VanDerWaalsContact O-N 3.16Å; N160-G164 PolarHBondContact OD1-O 3.2Å
165E89.7Confident90.4Very high131 Ų13145 Ų4561%0.61224%0.24SC*.SBendtrans-110.8-4.5-176.9-68.1169.5140.100112.8Q155 L158 N160 N167Q155-E165 HydrophobicContact CB-CG 4Å; Q155-E165 WeakPolarHBondContact CB-OE2 3.2Å; Q155-E165 PolarHBondContact O-N 2.92Å; L158-E165 PolarHBondContact O-N 2.98Å; N160-E165 VanDerWaalsContact OD1-C 3.3Å; E165-N167 PolarHBondContact O-N 3.28Å
166L90.5Very high90.4Very high6 Ų641.1 Ų41.13%0.03122%0.222CC..BIsolated β-bridgetrans-77.8105.1-177.9-168.165.3000111.2T32 L158 T159 N160 F168 P300 V301T32-L166 HydrophobicContact CG2-CD2 3.95Å; L158-L166 WeakPolarHBondContact O-CB 3.18Å; L158-L166 PolarHBondContact O-N 3.24Å; T159-L166 WeakPolarHBondContact CA-O 3.16Å; T159-L166 HydrophobicContact CG2-CD2 4.44Å; N160-L166 PolarHBondContact N-O 3.38Å; N160-L166 PolarHBondContact OD1-O 3.11Å; L166-F168 HydrophobicContact CD2-CB 4.33Å; L166-F168 HydrophobicContact CG-CB 4.19Å; L166-F168 PolarHBondContact O-N 3.11Å; L166-P300 HydrophobicContact CD1-CB 3.91Å; L166-V301 HydrophobicContact CD1-CB 4.08Å; L166-V301 HydrophobicContact CD2-CB 4.45Å
167N88.5Confident90.5Very high99 Ų9936.2 Ų36.253%0.52920%0.199SC..  trans-73.762.3171.7-167.645.8000112.2N160 E165 Q267N160-N167 PolarHBondContact ND2-OD1 2.94Å; E165-N167 PolarHBondContact O-N 3.28Å; N167-Q267 PolarHBondContact ND2-OE1 2.88Å
168F90.7Very high90.6Very high21 Ų2137.7 Ų37.79%0.09221%0.206CC..  trans-74.5124.7-174-179.7-94.6000113I30 T32 T159 L166 I170 W173 D302I30-F168 HydrophobicContact CD1-CD1 4.41Å; I30-F168 HydrophobicContact CD1-CE1 4.21Å; I30-F168 HydrophobicContact CG2-CD1 3.97Å; I30-F168 HydrophobicContact CG2-CE1 3.38Å; I30-F168 HydrophobicContact CG2-CE2 4.39Å; I30-F168 HydrophobicContact CG2-CZ 3.63Å; T32-F168 HydrophobicContact CG2-CD2 3.77Å; T32-F168 HydrophobicContact CG2-CE2 4.03Å; T32-F168 HydrophobicContact CG2-CG 4.04Å; T159-F168 HydrophobicContact CG2-CB 3.71Å; T159-F168 HydrophobicContact CG2-CG 4.33Å; L166-F168 HydrophobicContact CD2-CB 4.33Å; L166-F168 HydrophobicContact CG-CB 4.19Å; L166-F168 PolarHBondContact O-N 3.11Å; F168-I170 HydrophobicContact CE1-CB 4.15Å; F168-I170 HydrophobicContact CE1-CD1 3.86Å; F168-I170 HydrophobicContact CZ-CD1 3.78Å; F168-W173 HydrophobicContact CE2-CB 3.86Å; F168-W173 AromaticContact CE2-CD1 3.53Å; F168-W173 HydrophobicContact CE2-CD2 4.5Å; F168-W173 AromaticContact CE2-CG 3.7Å; F168-W173 HydrophobicContact CE2-CG 3.7Å; F168-W173 HydrophobicContact CZ-CB 3.9Å; F168-W173 HydrophobicContact CZ-CD2 4.38Å; F168-W173 AromaticContact CZ-CG 3.86Å; F168-W173 HydrophobicContact CZ-CG 3.86Å; F168-D302 HydrophobicContact CD2-CB 4.14Å; F168-D302 HydrophobicContact CE2-CB 4.29Å
169D91Very high90.5Very high56 Ų5640.8 Ų40.830%0.29922%0.223SC..  trans-115.5134.9164.1-17846.1000112.9R27 E171 D172 W173R27-D169 IonicContact CZ-OD1 2.85Å; R27-D169 IonicContact NH2-OD1 3.33Å; R27-D169 PolarHBondContact NH2-OD1 2.92Å; D169-E171 WeakPolarHBondContact OD2-CB 3.35Å; D169-E171 PolarHBondContact OD2-N 3.14Å; D169-D172 HydrophobicContact CB-CB 4.47Å; D169-D172 PolarHBondContact OD2-N 3.13Å; D169-D172 VanDerWaalsContact OD2-N 3.1Å; D169-W173 WeakPolarHBondContact O-CB 3.32Å; D169-W173 PolarHBondContact O-N 3.27Å; D169-W173 VanDerWaalsContact O-N 3.09Å
170I91.6Very high90.5Very high4 Ų440.7 Ų40.72%0.02122%0.222CC..Hα-helixtrans-74.6-28.8-179-160.361.3000112.3L25 R27 F168 W173 L174L25-I170 HydrophobicContact CD2-CG2 4.03Å; R27-I170 HydrophobicContact CG-CB 4.35Å; R27-I170 HydrophobicContact CG-CG1 4.45Å; R27-I170 HydrophobicContact CG-CG2 4.18Å; R27-I170 VanDerWaalsContact NE-CG2 3.33Å; F168-I170 HydrophobicContact CE1-CB 4.15Å; F168-I170 HydrophobicContact CE1-CD1 3.86Å; F168-I170 HydrophobicContact CZ-CD1 3.78Å; I170-W173 HydrophobicContact CD1-CE3 4.15Å; I170-L174 WeakPolarHBondContact O-CB 3.48Å; I170-L174 PolarHBondContact O-N 3.18Å
171E92.1Very high90.6Very high117 Ų11736.9 Ų36.955%0.54720%0.202SC..Hα-helixtrans-77.1-42.7-175.8-58.3-163.1-168.300110.4L25 D169 T175L25-E171 HydrophobicContact CD2-CG 3.89Å; D169-E171 WeakPolarHBondContact OD2-CB 3.35Å; D169-E171 PolarHBondContact OD2-N 3.14Å; E171-T175 VanDerWaalsContact O-CB 3.31Å; E171-T175 WeakPolarHBondContact O-CB 3.47Å; E171-T175 PolarHBondContact O-N 3.15Å; E171-T175 PolarHBondContact O-OG1 3Å
172D90.9Very high90.8Very high44 Ų4438.9 Ų38.924%0.23521%0.21CC..Hα-helixtrans-63.5-46.8170.9-123.8-0.6000111.5D169 L174 T175 N176 K263 Y303D169-D172 HydrophobicContact CB-CB 4.47Å; D169-D172 PolarHBondContact OD2-N 3.13Å; D169-D172 VanDerWaalsContact OD2-N 3.1Å; D172-L174 PolarHBondContact O-N 3.08Å; D172-T175 PolarHBondContact O-N 2.83Å; D172-N176 WeakPolarHBondContact O-CB 3.35Å; D172-N176 PolarHBondContact O-N 2.93Å; D172-N176 PolarHBondContact O-ND2 3.47Å; D172-N176 PolarHBondContact O-OD1 2.68Å; D172-K263 WeakPolarHBondContact OD1-CE 3.24Å; D172-K263 IonicContact OD1-NZ 3.72Å; D172-K263 PolarHBondContact OD1-NZ 3.31Å; D172-Y303 PolarHBondContact OD2-OH 3.35Å; D172-Y303 VanDerWaalsContact OD2-OH 3.05Å
173W92.3Very high90.9Very high2 Ų238.9 Ų38.91%0.00821%0.21CC..Hα-helixtrans-57.6-48.5176-174.889.4000112.3L24 F31 Y64 L68 F168 D169 I170 N176 R177 F305 H306L24-W173 HydrophobicContact CD1-CZ3 4.47Å; F31-W173 HydrophobicContact CD1-CZ2 4.39Å; Y64-W173 HydrophobicContact CE1-CH2 4.19Å; L68-W173 HydrophobicContact CD1-CH2 4.08Å; L68-W173 HydrophobicContact CD1-CZ2 4.22Å; F168-W173 HydrophobicContact CE2-CB 3.86Å; F168-W173 AromaticContact CE2-CD1 3.53Å; F168-W173 HydrophobicContact CE2-CD2 4.5Å; F168-W173 AromaticContact CE2-CG 3.7Å; F168-W173 HydrophobicContact CE2-CG 3.7Å; F168-W173 HydrophobicContact CZ-CB 3.9Å; F168-W173 HydrophobicContact CZ-CD2 4.38Å; F168-W173 AromaticContact CZ-CG 3.86Å; F168-W173 HydrophobicContact CZ-CG 3.86Å; D169-W173 WeakPolarHBondContact O-CB 3.32Å; D169-W173 PolarHBondContact O-N 3.27Å; D169-W173 VanDerWaalsContact O-N 3.09Å; I170-W173 HydrophobicContact CD1-CE3 4.15Å; W173-N176 PolarHBondContact O-N 3.16Å; W173-R177 HydrophobicContact CE3-CB 4.34Å; W173-R177 HydrophobicContact CH2-CG 4.15Å; W173-R177 HydrophobicContact CZ3-CB 4.29Å; W173-R177 HydrophobicContact CZ3-CG 4.2Å; W173-R177 VanDerWaalsContact O-CB 3.23Å; W173-R177 WeakPolarHBondContact O-CB 3.43Å; W173-R177 PolarHBondContact O-N 2.97Å; W173-F305 HydrophobicContact CZ2-CE1 4.3Å; W173-H306 AromaticContact CD1-CE1 3.31Å; W173-H306 AromaticContact CD1-ND1 3.95Å; W173-H306 AromaticContact CD2-CE1 3.95Å; W173-H306 AromaticContact CE2-CE1 3.72Å; W173-H306 AromaticContact CE2-NE2 3.92Å; W173-H306 AromaticContact CG-CE1 3.72Å; W173-H306 AromaticContact NE1-CE1 3.32Å; W173-H306 PolarHBondContact NE1-CE1 2.87Å; W173-H306 VanDerWaalsContact NE1-CE1 3.32Å; W173-H306 AromaticContact NE1-NE2 3.83Å; W173-H306 PolarHBondContact O-CE1 2.89Å; W173-H306 VanDerWaalsContact O-CE1 3.31Å
174L93.5Very high91.2Very high2 Ų239.2 Ų39.21%0.0120%0.2CC..Hα-helixtrans-70.6-34.1-176.3-175.153.6000112.2A17 R21 L24 L25 I170 D172 R177 I178A17-L174 HydrophobicContact CB-CD1 3.89Å; R21-L174 HydrophobicContact CG-CD2 3.63Å; R21-L174 HydrophobicContact CG-CG 4.25Å; L24-L174 HydrophobicContact CB-CD1 4.43Å; L24-L174 HydrophobicContact CB-CD2 4.11Å; L24-L174 HydrophobicContact CD1-CD1 3.63Å; L25-L174 HydrophobicContact CD1-CD2 4.43Å; L25-L174 HydrophobicContact CD2-CD2 3.68Å; L25-L174 HydrophobicContact CG-CD2 3.64Å; I170-L174 WeakPolarHBondContact O-CB 3.48Å; I170-L174 PolarHBondContact O-N 3.18Å; D172-L174 PolarHBondContact O-N 3.08Å; L174-R177 PolarHBondContact O-N 3.44Å; L174-I178 HydrophobicContact CD1-CD1 4.05Å; L174-I178 HydrophobicContact CD1-CG1 4.3Å; L174-I178 HydrophobicContact CG-CD1 4.07Å; L174-I178 WeakPolarHBondContact O-CB 3.38Å; L174-I178 WeakPolarHBondContact O-CD1 3.48Å; L174-I178 VanDerWaalsContact O-CG1 3.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.4Å; L174-I178 PolarHBondContact O-N 2.89Å
175T92.9Very high91.2Very high63 Ų6342.4 Ų42.439%0.38721%0.211SC..Hα-helixtrans-64.3-54172.3-56.80000110.2E171 D172 R177 I178 D179E171-T175 VanDerWaalsContact O-CB 3.31Å; E171-T175 WeakPolarHBondContact O-CB 3.47Å; E171-T175 PolarHBondContact O-N 3.15Å; E171-T175 PolarHBondContact O-OG1 3Å; D172-T175 PolarHBondContact O-N 2.83Å; T175-R177 PolarHBondContact O-N 3.32Å; T175-I178 PolarHBondContact O-N 3.36Å; T175-D179 PolarHBondContact O-N 3.32Å; T175-D179 VanDerWaalsContact O-N 3.1Å
176N91.6Very high91.2Very high5 Ų538.5 Ų38.53%0.02719%0.193CC..Hα-helixtrans-55.1-39.4176.5-67.4-15.1000111.6D172 W173 I180 L260 K263 Y303D172-N176 WeakPolarHBondContact O-CB 3.35Å; D172-N176 PolarHBondContact O-N 2.93Å; D172-N176 PolarHBondContact O-ND2 3.47Å; D172-N176 PolarHBondContact O-OD1 2.68Å; W173-N176 PolarHBondContact O-N 3.16Å; N176-I180 WeakPolarHBondContact O-CD1 3.42Å; N176-I180 VanDerWaalsContact O-CG1 3.29Å; N176-I180 WeakPolarHBondContact O-CG1 3.26Å; N176-I180 PolarHBondContact O-N 2.65Å; N176-L260 HydrophobicContact CB-CD2 3.8Å; N176-K263 PolarHBondContact OD1-NZ 2.83Å; N176-Y303 WeakPolarHBondContact ND2-CE1 3.34Å; N176-Y303 PolarHBondContact ND2-OH 3.05Å
177R92.3Very high91.2Very high2 Ų238.5 Ų38.51%0.00819%0.193CC..Hα-helixtrans-67.8-43.7179.3-174.368-161176.38113.1A17 Y64 L68 W173 L174 T175 I180 E181 H306A17-R177 HydrophobicContact CB-CB 4.44Å; A17-R177 HydrophobicContact CB-CG 3.71Å; Y64-R177 VanDerWaalsContact OH-CG 3.3Å; Y64-R177 WeakPolarHBondContact OH-CG 3.47Å; Y64-R177 PolarHBondContact OH-NE 2.94Å; L68-R177 VanDerWaalsContact CD2-NH2 3.25Å; W173-R177 HydrophobicContact CE3-CB 4.34Å; W173-R177 HydrophobicContact CH2-CG 4.15Å; W173-R177 HydrophobicContact CZ3-CB 4.29Å; W173-R177 HydrophobicContact CZ3-CG 4.2Å; W173-R177 VanDerWaalsContact O-CB 3.23Å; W173-R177 WeakPolarHBondContact O-CB 3.43Å; W173-R177 PolarHBondContact O-N 2.97Å; L174-R177 PolarHBondContact O-N 3.44Å; T175-R177 PolarHBondContact O-N 3.32Å; R177-I180 PolarHBondContact O-N 2.6Å; R177-E181 IonicContact CZ-OE1 3.5Å; R177-E181 VanDerWaalsContact CZ-OE1 3.25Å; R177-E181 IonicContact NE-OE1 2.64Å; R177-E181 PolarHBondContact NE-OE1 2.89Å; R177-E181 IonicContact NH2-OE1 2.67Å; R177-E181 PolarHBondContact NH2-OE1 3.15Å; R177-E181 PolarHBondContact O-N 3.24Å; R177-H306 WeakPolarHBondContact CB-NE2 3.38Å; R177-H306 WeakPolarHBondContact CD-NE2 3.45Å
178I92.7Very high91.1Very high40 Ų4037.5 Ų37.521%0.20519%0.185CC..Hα-helixtrans-65.2-43179.4-72.4167.2000110.3A17 K18 R21 L174 T175 I180 E181 E182A17-I178 HydrophobicContact CB-CG1 3.91Å; K18-I178 HydrophobicContact CB-CD1 4.43Å; K18-I178 HydrophobicContact CB-CG1 4.33Å; R21-I178 HydrophobicContact CG-CD1 4.36Å; L174-I178 HydrophobicContact CD1-CD1 4.05Å; L174-I178 HydrophobicContact CD1-CG1 4.3Å; L174-I178 HydrophobicContact CG-CD1 4.07Å; L174-I178 WeakPolarHBondContact O-CB 3.38Å; L174-I178 WeakPolarHBondContact O-CD1 3.48Å; L174-I178 VanDerWaalsContact O-CG1 3.24Å; L174-I178 WeakPolarHBondContact O-CG1 3.4Å; L174-I178 PolarHBondContact O-N 2.89Å; T175-I178 PolarHBondContact O-N 3.36Å; I178-I180 VanDerWaalsContact C-N 3.3Å; I178-I180 PolarHBondContact O-N 3.07Å; I178-E181 PolarHBondContact O-N 3.09Å; I178-E181 VanDerWaalsContact O-N 3.14Å; I178-E182 PolarHBondContact O-N 2.97Å
179D91.2Very high91.1Very high66 Ų6641.7 Ų41.735%0.35321%0.205SC..Hα-helixtrans-57.7-42.1175.8-70.2-7.4000112T175 Y183T175-D179 PolarHBondContact O-N 3.32Å; T175-D179 VanDerWaalsContact O-N 3.1Å; D179-Y183 WeakPolarHBondContact O-CB 3.26Å; D179-Y183 PolarHBondContact O-N 3.07Å; D179-Y183 VanDerWaalsContact O-N 3.12Å
180I91.1Very high91.2Very high1 Ų139.1 Ų39.11%0.00519%0.191CC..Hα-helixtrans-68.1-36177.6-69.6164.3000111.8N176 R177 I178 F184 I256 L260 H306 T309 F310 I313N176-I180 WeakPolarHBondContact O-CD1 3.42Å; N176-I180 VanDerWaalsContact O-CG1 3.29Å; N176-I180 WeakPolarHBondContact O-CG1 3.26Å; N176-I180 PolarHBondContact O-N 2.65Å; R177-I180 PolarHBondContact O-N 2.6Å; I178-I180 VanDerWaalsContact C-N 3.3Å; I178-I180 PolarHBondContact O-N 3.07Å; I180-F184 PolarHBondContact O-N 3.19Å; I180-I256 HydrophobicContact CG1-CG2 4.34Å; I180-L260 HydrophobicContact CD1-CD1 4.06Å; I180-H306 HydrophobicContact CD1-CB 3.61Å; I180-T309 HydrophobicContact CG2-CG2 3.96Å; I180-F310 HydrophobicContact CD1-CB 4.44Å; I180-F310 HydrophobicContact CG1-CB 4.4Å; I180-F310 HydrophobicContact CG1-CD2 4.24Å; I180-I313 HydrophobicContact CG2-CD1 3.69Å
181E90.9Very high91Very high3 Ų341.6 Ų41.61%0.01420%0.201CC..Hα-helixtrans-78.1-36.9-179.6-74.5-173.7166.500113.2L16 A17 R71 R177 I178 Y183 F184 E185L16-E181 WeakPolarHBondContact CA-OE2 3.41Å; L16-E181 HydrophobicContact CD2-CB 4.3Å; L16-E181 HydrophobicContact CD2-CG 4.37Å; A17-E181 WeakPolarHBondContact CB-OE2 3.34Å; A17-E181 PolarHBondContact N-OE2 3.4Å; R71-E181 IonicContact NH1-OE1 2.66Å; R177-E181 IonicContact CZ-OE1 3.5Å; R177-E181 VanDerWaalsContact CZ-OE1 3.25Å; R177-E181 IonicContact NE-OE1 2.64Å; R177-E181 PolarHBondContact NE-OE1 2.89Å; R177-E181 IonicContact NH2-OE1 2.67Å; R177-E181 PolarHBondContact NH2-OE1 3.15Å; R177-E181 PolarHBondContact O-N 3.24Å; I178-E181 PolarHBondContact O-N 3.09Å; I178-E181 VanDerWaalsContact O-N 3.14Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 3.04Å; E181-F184 WeakPolarHBondContact O-CB 3.36Å; E181-F184 PolarHBondContact O-N 2.72Å; E181-E185 PolarHBondContact O-N 3.49Å
182E91.2Very high90.9Very high103 Ų10338.9 Ų38.948%0.48120%0.195SC..Hα-helixtrans-62.7-40.4169.7-166.9-155.5101.300110.9I178 F184 E185 E186 K252I178-E182 PolarHBondContact O-N 2.97Å; E182-F184 VanDerWaalsContact C-N 3.31Å; E182-F184 PolarHBondContact O-N 3.31Å; E182-E185 PolarHBondContact O-N 3.05Å; E182-E186 PolarHBondContact O-N 3.34Å; E182-E186 VanDerWaalsContact O-N 3.09Å; E182-K252 IonicContact OE1-NZ 2.67Å; E182-K252 PolarHBondContact OE1-NZ 2.9Å
183Y91.4Very high90.8Very high0 Ų037.7 Ų37.70%019%0.193CC..Hα-helixtrans-62.1-38.4174.7-172.9-109.6000112.6D179 E181 E186 V187 C249 K252 I256 F310 I313D179-Y183 WeakPolarHBondContact O-CB 3.26Å; D179-Y183 PolarHBondContact O-N 3.07Å; D179-Y183 VanDerWaalsContact O-N 3.12Å; E181-Y183 VanDerWaalsContact C-N 3.31Å; E181-Y183 PolarHBondContact O-N 3.04Å; Y183-E186 PolarHBondContact O-N 3.42Å; Y183-V187 HydrophobicContact CD1-CG2 4.45Å; Y183-V187 HydrophobicContact CE1-CG2 4.05Å; Y183-V187 WeakPolarHBondContact O-CG2 3.36Å; Y183-V187 PolarHBondContact O-N 3.02Å; Y183-V187 VanDerWaalsContact O-N 3.09Å; Y183-C249 WeakPolarHBondContact CE2-O 3.31Å; Y183-C249 WeakPolarHBondContact CE2-SG 3.25Å; Y183-C249 PolarHBondContact OH-O 2.91Å; Y183-K252 HydrophobicContact CD2-CD 4.2Å; Y183-K252 HydrophobicContact CD2-CG 4.26Å; Y183-K252 HydrophobicContact CE2-CB 4.31Å; Y183-K252 HydrophobicContact CE2-CG 4.41Å; Y183-I256 HydrophobicContact CD2-CD1 3.91Å; Y183-I256 HydrophobicContact CG-CD1 3.93Å; Y183-F310 HydrophobicContact CD1-CD2 4.14Å; Y183-F310 AromaticContact CD1-CE2 3.42Å; Y183-F310 HydrophobicContact CD1-CE2 3.42Å; Y183-F310 VanDerWaalsContact CD1-CE2 3.42Å; Y183-F310 HydrophobicContact CD1-CZ 4.13Å; Y183-F310 HydrophobicContact CE1-CD2 4.48Å; Y183-F310 AromaticContact CE1-CE2 3.51Å; Y183-F310 HydrophobicContact CE1-CE2 3.51Å; Y183-F310 AromaticContact CE1-CZ 3.72Å; Y183-F310 HydrophobicContact CE1-CZ 3.72Å; Y183-F310 HydrophobicContact CG-CE2 4.11Å; Y183-I313 HydrophobicContact CD1-CB 4.43Å; Y183-I313 HydrophobicContact CD1-CG2 3.71Å; Y183-I313 HydrophobicContact CE1-CB 4.48Å; Y183-I313 HydrophobicContact CE1-CG2 3.8Å
184F90.1Very high90.8Very high46 Ų4637.6 Ų37.620%0.20219%0.193CC..Hα-helixtrans-63.7-42.5174.2178.3-111.9000112.5L14 R71 I180 E181 E182 E186 V187 E188 I313L14-F184 HydrophobicContact CD2-CE1 4.35Å; R71-F184 VanDerWaalsContact NH2-CD1 3.25Å; I180-F184 PolarHBondContact O-N 3.19Å; E181-F184 WeakPolarHBondContact O-CB 3.36Å; E181-F184 PolarHBondContact O-N 2.72Å; E182-F184 VanDerWaalsContact C-N 3.31Å; E182-F184 PolarHBondContact O-N 3.31Å; F184-E186 VanDerWaalsContact C-N 3.3Å; F184-E186 PolarHBondContact O-N 3.15Å; F184-V187 PolarHBondContact O-N 3.4Å; F184-E188 HydrophobicContact CD2-CG 4.39Å; F184-E188 HydrophobicContact CE1-CG 4.12Å; F184-E188 HydrophobicContact CE2-CG 3.83Å; F184-E188 HydrophobicContact CZ-CG 3.68Å; F184-E188 PolarHBondContact O-N 3.18Å; F184-I313 HydrophobicContact CB-CD1 3.96Å; F184-I313 HydrophobicContact CB-CG1 4.5Å; F184-I313 HydrophobicContact CD2-CD1 4.35Å; F184-I313 HydrophobicContact CD2-CG1 4.02Å; F184-I313 HydrophobicContact CD2-CG2 4.27Å
185E89.3Confident90.5Very high79 Ų7941.2 Ų41.237%0.36921%0.208SC..Hα-helixtrans-60.3-38.6174.8-70.1174.2116.100111.9L16 K18 E181 E182 H189L16-E185 HydrophobicContact CD1-CG 4.45Å; L16-E185 WeakPolarHBondContact CD1-OE1 3.46Å; K18-E185 IonicContact NZ-OE1 3.38Å; K18-E185 PolarHBondContact NZ-OE1 3.34Å; K18-E185 IonicContact NZ-OE2 3.38Å; K18-E185 PolarHBondContact NZ-OE2 3.09Å; E181-E185 PolarHBondContact O-N 3.49Å; E182-E185 PolarHBondContact O-N 3.05Å; E185-H189 PolarHBondContact O-N 3.28Å
186E90.2Very high90.3Very high49 Ų4943.1 Ų43.123%0.22922%0.216CC..Hα-helixtrans-65.2-42.7175.5-166178.5150.200112.2E182 Y183 F184 H189 L190 K252E182-E186 PolarHBondContact O-N 3.34Å; E182-E186 VanDerWaalsContact O-N 3.09Å; Y183-E186 PolarHBondContact O-N 3.42Å; F184-E186 VanDerWaalsContact C-N 3.3Å; F184-E186 PolarHBondContact O-N 3.15Å; E186-H189 WeakPolarHBondContact O-CB 3.5Å; E186-H189 PolarHBondContact O-N 3.42Å; E186-L190 WeakPolarHBondContact O-CG 3.44Å; E186-L190 PolarHBondContact O-N 3.38Å; E186-L190 VanDerWaalsContact O-N 3.1Å; E186-K252 WeakPolarHBondContact OE2-CD 3.38Å; E186-K252 WeakPolarHBondContact OE2-CE 3.48Å; E186-K252 IonicContact OE2-NZ 3.21Å; E186-K252 PolarHBondContact OE2-NZ 2.82Å
187V90Very high90.1Very high6 Ų643.5 Ų43.54%0.03622%0.218CC..Hα-helixtrans-67.8-40.2179.1171.20000112.3Y183 F184 H189 L190 Y191 I313 L317Y183-V187 HydrophobicContact CD1-CG2 4.45Å; Y183-V187 HydrophobicContact CE1-CG2 4.05Å; Y183-V187 WeakPolarHBondContact O-CG2 3.36Å; Y183-V187 PolarHBondContact O-N 3.02Å; Y183-V187 VanDerWaalsContact O-N 3.09Å; F184-V187 PolarHBondContact O-N 3.4Å; V187-H189 VanDerWaalsContact C-N 3.31Å; V187-H189 PolarHBondContact O-N 2.68Å; V187-L190 WeakPolarHBondContact O-CB 3.49Å; V187-L190 PolarHBondContact O-N 3.03Å; V187-L190 VanDerWaalsContact O-N 3.08Å; V187-Y191 PolarHBondContact O-N 3.26Å; V187-I313 HydrophobicContact CB-CG2 4.08Å; V187-I313 HydrophobicContact CG1-CG2 4.27Å; V187-I313 HydrophobicContact CG2-CG2 3.88Å; V187-L317 HydrophobicContact CG1-CB 4.26Å; V187-L317 HydrophobicContact CG1-CD1 4.39Å; V187-L317 HydrophobicContact CG2-CB 4.47Å; V187-L317 HydrophobicContact CG2-CD1 4.38Å; V187-L317 HydrophobicContact CG2-CD2 4.32Å
188E87.3Confident89.8Confident78 Ų7843.4 Ų43.436%0.36422%0.218SC..Hα-helixtrans-65.7-32.7174.5-74.6-63.5152.700112.4F184 Y191 S192F184-E188 HydrophobicContact CD2-CG 4.39Å; F184-E188 HydrophobicContact CE1-CG 4.12Å; F184-E188 HydrophobicContact CE2-CG 3.83Å; F184-E188 HydrophobicContact CZ-CG 3.68Å; F184-E188 PolarHBondContact O-N 3.18Å; E188-Y191 PolarHBondContact O-N 3.42Å; E188-S192 WeakPolarHBondContact O-CB 3.37Å; E188-S192 PolarHBondContact O-N 2.98Å; E188-S192 PolarHBondContact O-OG 3.48Å
189H90.3Very high89.3Confident109 Ų10944.1 Ų44.151%0.50522%0.222SC..Hα-helixtrans-64.1-40.2169.3-172.7-29.9000111.2E185 E186 V187 S192 G193E185-H189 PolarHBondContact O-N 3.28Å; E186-H189 WeakPolarHBondContact O-CB 3.5Å; E186-H189 PolarHBondContact O-N 3.42Å; V187-H189 VanDerWaalsContact C-N 3.31Å; V187-H189 PolarHBondContact O-N 2.68Å; H189-S192 PolarHBondContact O-N 3.41Å; H189-G193 PolarHBondContact O-N 3.14Å
190L91.7Very high88.5Confident3 Ų343.9 Ų43.92%0.01622%0.219CC..Hα-helixtrans-64.8-41.7175.9-64.9175.3000111.7E186 V187 S192 G193 L194 W242 R245 V246 C249 L317E186-L190 WeakPolarHBondContact O-CG 3.44Å; E186-L190 PolarHBondContact O-N 3.38Å; E186-L190 VanDerWaalsContact O-N 3.1Å; V187-L190 WeakPolarHBondContact O-CB 3.49Å; V187-L190 PolarHBondContact O-N 3.03Å; V187-L190 VanDerWaalsContact O-N 3.08Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.33Å; L190-G193 WeakPolarHBondContact O-CA 3.27Å; L190-G193 PolarHBondContact O-N 3.49Å; L190-G193 VanDerWaalsContact O-N 3.12Å; L190-L194 PolarHBondContact O-N 2.93Å; L190-W242 PolarHBondContact O-NE1 3.22Å; L190-R245 HydrophobicContact CD2-CB 3.65Å; L190-V246 HydrophobicContact CD1-CG2 4.27Å; L190-C249 HydrophobicContact CD1-CB 3.57Å; L190-L317 HydrophobicContact CD1-CD1 3.75Å
191Y88.7Confident87Confident55 Ų5544.2 Ų44.222%0.21622%0.221CC..Hα-helixtrans-65.7-36176.7-167.5-128.2000112.6V187 E188 L194 K195 A320V187-Y191 PolarHBondContact O-N 3.26Å; E188-Y191 PolarHBondContact O-N 3.42Å; Y191-L194 HydrophobicContact CD2-CD2 4.07Å; Y191-L194 HydrophobicContact CE2-CD2 4.16Å; Y191-L194 WeakPolarHBondContact O-CB 3.42Å; Y191-L194 PolarHBondContact O-N 2.97Å; Y191-K195 HydrophobicContact CE1-CD 4.48Å; Y191-K195 VanDerWaalsContact CE1-NZ 3.32Å; Y191-K195 PolarHBondContact O-N 3.48Å; Y191-K195 VanDerWaalsContact O-N 3.16Å; Y191-A320 HydrophobicContact CD2-CB 3.98Å
192S88.8Confident85.6Confident60 Ų6046 Ų4642%0.4223%0.233SC..Hα-helixtrans-64-39.4170.3-59.70000112.2E188 H189 L190 L194 N196E188-S192 WeakPolarHBondContact O-CB 3.37Å; E188-S192 PolarHBondContact O-N 2.98Å; E188-S192 PolarHBondContact O-OG 3.48Å; H189-S192 PolarHBondContact O-N 3.41Å; L190-S192 VanDerWaalsContact C-N 3.34Å; L190-S192 PolarHBondContact O-N 3.33Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.32Å; S192-N196 PolarHBondContact O-N 3.06Å; S192-N196 PolarHBondContact O-ND2 2.84Å
193G90.2Very high83.8Confident20 Ų2046.7 Ų46.721%0.20624%0.239CC..Hα-helixtrans-63.1-36.6172.800000113.4H189 L190 N196 I197H189-G193 PolarHBondContact O-N 3.14Å; L190-G193 WeakPolarHBondContact O-CA 3.27Å; L190-G193 PolarHBondContact O-N 3.49Å; L190-G193 VanDerWaalsContact O-N 3.12Å; G193-N196 PolarHBondContact O-N 2.79Å; G193-I197 PolarHBondContact O-N 3.46Å
194L91Very high81.9Confident0 Ų051.6 Ų51.60%026%0.262CS..Hα-helixtrans-64.6-50177.4179.758.3000111.8L190 Y191 S192 N196 I197 M198 W242 A320 E323 L324L190-L194 PolarHBondContact O-N 2.93Å; Y191-L194 HydrophobicContact CD2-CD2 4.07Å; Y191-L194 HydrophobicContact CE2-CD2 4.16Å; Y191-L194 WeakPolarHBondContact O-CB 3.42Å; Y191-L194 PolarHBondContact O-N 2.97Å; S192-L194 VanDerWaalsContact C-N 3.34Å; S192-L194 PolarHBondContact O-N 3.32Å; L194-N196 PolarHBondContact O-N 3.05Å; L194-I197 WeakPolarHBondContact O-CB 3.41Å; L194-I197 PolarHBondContact O-N 3.02Å; L194-M198 HydrophobicContact CD1-CE 3.56Å; L194-M198 HydrophobicContact CD1-SD 4.2Å; L194-M198 HydrophobicContact CD2-CE 4.17Å; L194-M198 HydrophobicContact CG-CE 3.84Å; L194-M198 HydrophobicContact CG-SD 4.04Å; L194-M198 PolarHBondContact O-N 2.9Å; L194-W242 HydrophobicContact CB-CZ2 3.7Å; L194-W242 HydrophobicContact CD1-CH2 4.14Å; L194-W242 HydrophobicContact CD1-CZ2 4.01Å; L194-W242 HydrophobicContact CD1-CZ3 4.49Å; L194-W242 HydrophobicContact CD2-CH2 4.12Å; L194-W242 HydrophobicContact CD2-CZ2 3.94Å; L194-W242 HydrophobicContact CG-CZ2 4.1Å; L194-A320 HydrophobicContact CD2-CB 3.77Å; L194-A320 WeakPolarHBondContact CD2-O 2.94Å; L194-E323 HydrophobicContact CD2-CB 4.25Å; L194-L324 HydrophobicContact CD1-CB 3.74Å; L194-L324 HydrophobicContact CD1-CD1 3.73Å; L194-L324 HydrophobicContact CD1-CG 4.2Å
195K88.1Confident79.7Confident77 Ų7753.4 Ų53.434%0.33527%0.274SS..Hα-helixtrans-55.5-39.1175.4-71.9173.7177.11710111.6Y191 I197 M198 N199Y191-K195 HydrophobicContact CE1-CD 4.48Å; Y191-K195 VanDerWaalsContact CE1-NZ 3.32Å; Y191-K195 PolarHBondContact O-N 3.48Å; Y191-K195 VanDerWaalsContact O-N 3.16Å; K195-I197 VanDerWaalsContact C-N 3.34Å; K195-I197 PolarHBondContact O-N 3.44Å; K195-M198 PolarHBondContact O-N 3.41Å; K195-N199 VanDerWaalsContact O-CB 3.28Å; K195-N199 WeakPolarHBondContact O-CB 3.23Å; K195-N199 PolarHBondContact O-N 3.12Å; K195-N199 PolarHBondContact O-ND2 3.07Å
196N88.4Confident77.6Confident104 Ų10455.9 Ų55.956%0.55628%0.281SS*.Hα-helixtrans-68.2-27.6176-73.1-20.1000113.9S192 G193 L194 Q200S192-N196 PolarHBondContact O-N 3.06Å; S192-N196 PolarHBondContact O-ND2 2.84Å; G193-N196 PolarHBondContact O-N 2.79Å; L194-N196 PolarHBondContact O-N 3.05Å; N196-Q200 VanDerWaalsContact O-CG 3.31Å; N196-Q200 WeakPolarHBondContact O-CG 3.49Å; N196-Q200 PolarHBondContact O-NE2 3.38Å
197I87.3Confident75.4Confident13 Ų1361.1 Ų61.17%0.06731%0.305CS..Hα-helixtrans-76.3-37.7173.9-71.4170.9000111G193 L194 K195 L235 K238 W242 L324 Y327G193-I197 PolarHBondContact O-N 3.46Å; L194-I197 WeakPolarHBondContact O-CB 3.41Å; L194-I197 PolarHBondContact O-N 3.02Å; K195-I197 VanDerWaalsContact C-N 3.34Å; K195-I197 PolarHBondContact O-N 3.44Å; I197-L235 HydrophobicContact CG2-CD1 4.01Å; I197-K238 HydrophobicContact CD1-CB 4.42Å; I197-K238 HydrophobicContact CG1-CB 4.42Å; I197-W242 HydrophobicContact CD1-CB 3.54Å; I197-W242 HydrophobicContact CD1-CG 3.89Å; I197-L324 HydrophobicContact CG2-CD1 4.14Å; I197-Y327 HydrophobicContact CG2-CE1 4.17Å; I197-Y327 PolarHBondContact O-OH 2.72Å
198M86.2Confident73.2Confident0 Ų067.6 Ų67.60%034%0.335CS..Hα-helixtrans-72.5-42.8177.7-68167.5171.300112.7L194 K195 Q200 C201 E323 Y327 Y584L194-M198 HydrophobicContact CD1-CE 3.56Å; L194-M198 HydrophobicContact CD1-SD 4.2Å; L194-M198 HydrophobicContact CD2-CE 4.17Å; L194-M198 HydrophobicContact CG-CE 3.84Å; L194-M198 HydrophobicContact CG-SD 4.04Å; L194-M198 PolarHBondContact O-N 2.9Å; K195-M198 PolarHBondContact O-N 3.41Å; M198-Q200 VanDerWaalsContact C-N 3.27Å; M198-Q200 PolarHBondContact O-N 3.03Å; M198-C201 PolarHBondContact O-N 3.13Å; M198-E323 HydrophobicContact CE-CB 4Å; M198-E323 HydrophobicContact CE-CG 3.59Å; M198-E323 HydrophobicContact SD-CG 4.4Å; M198-Y327 HydrophobicContact CB-CD2 4.43Å; M198-Y327 HydrophobicContact CB-CE2 4.16Å; M198-Y327 HydrophobicContact CE-CG 4.27Å; M198-Y327 HydrophobicContact CG-CD1 4.3Å; M198-Y327 HydrophobicContact CG-CD2 3.89Å; M198-Y327 HydrophobicContact CG-CE1 4.39Å; M198-Y327 HydrophobicContact CG-CE2 4.02Å; M198-Y327 HydrophobicContact CG-CG 4.01Å; M198-Y584 HydrophobicContact CB-CD1 3.89Å; M198-Y584 HydrophobicContact CB-CD2 4.42Å; M198-Y584 HydrophobicContact CB-CE1 3.77Å; M198-Y584 HydrophobicContact CB-CE2 4.28Å; M198-Y584 HydrophobicContact CB-CG 4.22Å; M198-Y584 HydrophobicContact CG-CE2 4.47Å; M198-Y584 HydrophobicContact SD-CE2 4.02Å
199N82.6Confident71.1Confident55 Ų5568.1 Ų68.129%0.29433%0.334SS..G310 helixtrans-72.8-13-179.8-68.7-19.5000113.9K195 C201 T202 N203K195-N199 VanDerWaalsContact O-CB 3.28Å; K195-N199 WeakPolarHBondContact O-CB 3.23Å; K195-N199 PolarHBondContact O-N 3.12Å; K195-N199 PolarHBondContact O-ND2 3.07Å; N199-C201 PolarHBondContact O-N 3.34Å; N199-C201 VanDerWaalsContact O-N 3.15Å; N199-T202 PolarHBondContact O-N 3.5Å; N199-T202 PolarHBondContact O-OG1 3.07Å; N199-N203 VanDerWaalsContact O-CB 3.26Å; N199-N203 WeakPolarHBondContact O-CB 3.42Å; N199-N203 VanDerWaalsContact O-CG 3.26Å; N199-N203 PolarHBondContact O-N 3.34Å
200Q73.3Confident68.8Low61 Ų6168.8 Ų68.829%0.28534%0.337SS..G310 helixtrans-62.2-19.8173.1-88.7167.860.900112.9N196 M198 K238N196-Q200 VanDerWaalsContact O-CG 3.31Å; N196-Q200 WeakPolarHBondContact O-CG 3.49Å; N196-Q200 PolarHBondContact O-NE2 3.38Å; M198-Q200 VanDerWaalsContact C-N 3.27Å; M198-Q200 PolarHBondContact O-N 3.03Å; Q200-K238 VanDerWaalsContact OE1-CD 3.22Å
201C61.2Low66.2Low7 Ų775.4 Ų75.45%0.04737%0.372CS..G310 helixtrans-96.6-8.7-176.7-58.70000113.1M198 N199 F226 Y327 Y584M198-C201 PolarHBondContact O-N 3.13Å; N199-C201 PolarHBondContact O-N 3.34Å; N199-C201 VanDerWaalsContact O-N 3.15Å; C201-F226 HydrophobicContact CB-CE1 4.21Å; C201-F226 HydrophobicContact CB-CE2 3.73Å; C201-F226 HydrophobicContact CB-CZ 3.34Å; C201-F226 WeakPolarHBondContact SG-CE2 3.46Å; C201-F226 WeakPolarHBondContact SG-CZ 3.37Å; C201-Y327 PolarHBondContact SG-OH 3.21Å; C201-Y584 WeakPolarHBondContact CB-O 3.22Å
202T60.3Low63.8Low42 Ų4280.5 Ų80.526%0.25840%0.398SS..THydrogen-bonded Turntrans-99.7-38.4167.959.10000112N199 Q204 K583 Y584N199-T202 PolarHBondContact O-N 3.5Å; N199-T202 PolarHBondContact O-OG1 3.07Å; T202-Q204 PolarHBondContact O-N 3.02Å; T202-K583 WeakPolarHBondContact CG2-O 3.22Å; T202-Y584 HydrophobicContact CG2-CD1 4.35Å
203N53.5Low61.5Low116 Ų11680.4 Ų80.462%0.6239%0.389SS*.SBendtrans-875.8-163.8-67.2-0.2000115N199 N205N199-N203 VanDerWaalsContact O-CB 3.26Å; N199-N203 WeakPolarHBondContact O-CB 3.42Å; N199-N203 VanDerWaalsContact O-CG 3.26Å; N199-N203 PolarHBondContact O-N 3.34Å; N203-N205 PolarHBondContact O-N 3.05Å
204Q50.7Low58.9Low103 Ų10384.6 Ų84.648%0.48141%0.414SS..SBendtrans-94.972.9173.5-71-153.615.600112.9T202 Y206T202-Q204 PolarHBondContact O-N 3.02Å; Q204-Y206 PolarHBondContact O-N 2.96Å
205N45Very low56.4Low84 Ų8489.2 Ų89.245%0.44944%0.438SS..  trans48.163.6156-56.4-7.4000116.4N203 H207 Q208N203-N205 PolarHBondContact O-N 3.05Å; N205-H207 PolarHBondContact O-N 2.6Å; N205-Q208 HydrophobicContact CB-CB 3.94Å; N205-Q208 HydrophobicContact CB-CG 4.17Å; N205-Q208 PolarHBondContact ND2-OE1 2.95Å; N205-Q208 PolarHBondContact O-N 2.92Å
206Y44.2Very low54.1Low131 Ų13191.6 Ų91.651%0.51446%0.462SS..THydrogen-bonded Turntrans-46.7-28171.1-133.7-74.2000113.9Q204 L586 P587Q204-Y206 PolarHBondContact O-N 2.96Å; Y206-L586 HydrophobicContact CD2-CD2 3.79Å; Y206-L586 HydrophobicContact CE2-CD2 3.46Å; Y206-L586 VanDerWaalsContact CE2-CD2 3.46Å; Y206-P587 WeakPolarHBondContact OH-CD 3.4Å; Y206-P587 WeakPolarHBondContact OH-CG 3.24Å
207H45.1Very low51.7Low160 Ų16095.9 Ų95.974%0.74148%0.475SS*.THydrogen-bonded Turntrans-101.4-6.1-177.4-64.4-68.3000116.2N205N205-H207 PolarHBondContact O-N 2.6Å
208Q43.9Very low49.5Very low142 Ų14297.2 Ų97.266%0.66449%0.486SS*.SBendtrans-108.711-176.3-61.5-173.6-25.100114.6N205N205-Q208 HydrophobicContact CB-CB 3.94Å; N205-Q208 HydrophobicContact CB-CG 4.17Å; N205-Q208 PolarHBondContact ND2-OE1 2.95Å; N205-Q208 PolarHBondContact O-N 2.92Å
209R41.8Very low47.6Very low88 Ų88105.7 Ų105.733%0.33252%0.518SS..SBendtrans-125.76.8-178-61.6-169.9-177.5-141.510.4114.9D211 Y213R209-D211 VanDerWaalsContact C-N 3.27Å; R209-D211 PolarHBondContact O-N 3.29Å; R209-Y213 HydrophobicContact CB-CE2 4.23Å; R209-Y213 VanDerWaalsContact O-CD2 3.24Å; R209-Y213 WeakPolarHBondContact O-CD2 3.45Å
210Q43.3Very low45.7Very low124 Ų124106.1 Ų106.158%0.57952%0.522SS*.G310 helixtrans-62.5-35.5178.3-87.5174.8-52.400112.1H212Q210-H212 VanDerWaalsContact C-N 3.3Å; Q210-H212 PolarHBondContact O-N 2.87Å
211D36.3Very low44.6Very low141 Ų141106.4 Ų106.475%0.75452%0.521SS*.G310 helixtrans-79.52.4-172.2-49.5-48.7000115.7R209R209-D211 VanDerWaalsContact C-N 3.27Å; R209-D211 PolarHBondContact O-N 3.29Å
212H38.3Very low44.2Very low162 Ų162111.7 Ų111.775%0.7555%0.545SS*.G310 helixtrans-117.2-0.4-176-78.30.4000115.1Q210Q210-H212 VanDerWaalsContact C-N 3.3Å; Q210-H212 PolarHBondContact O-N 2.87Å
213Y40.3Very low43.9Very low58 Ų58111.7 Ų111.723%0.22754%0.543CS..SBendtrans-99.616.5175.5-68.1-77.4000113.7R209 H222 Q225R209-Y213 HydrophobicContact CB-CE2 4.23Å; R209-Y213 VanDerWaalsContact O-CD2 3.24Å; R209-Y213 WeakPolarHBondContact O-CD2 3.45Å; Y213-H222 HydrophobicContact CD1-CB 4.28Å; Y213-H222 WeakPolarHBondContact CD1-O 3.39Å; Y213-Q225 PolarHBondContact OH-N 3.25Å
214C37.2Very low44.4Very low109 Ų109108 Ų10874%0.73652%0.523SS*.  trans-136.471.9-178.5-73.90000111.5P216C214-P216 VanDerWaalsContact O-CD 3.26Å; C214-P216 WeakPolarHBondContact O-CD 3.31Å
215N36.7Very low45.1Very low96 Ų96107.1 Ų107.151%0.51352%0.519SS..  trans-94.399.3159.1177.74.6000108.6K217 S218N215-K217 PolarHBondContact O-N 3.47Å; N215-K217 WeakPolarHBondContact OD1-CB 3.38Å; N215-K217 PolarHBondContact OD1-N 2.9Å; N215-S218 PolarHBondContact O-N 3.48Å
216P40.7Very low46.3Very low127 Ų127104.5 Ų104.583%0.82550%0.504SS*.THydrogen-bonded Turntrans-68.50.2-178.429.6-36.7000114.1C214C214-P216 VanDerWaalsContact O-CD 3.26Å; C214-P216 WeakPolarHBondContact O-CD 3.31Å
217K38.8Very low47.9Very low195 Ų19598.3 Ų98.385%0.84848%0.48SS*.THydrogen-bonded Turntrans-101.1-6.3171-60-174.9178.7-177.10113.3N215N215-K217 PolarHBondContact O-N 3.47Å; N215-K217 WeakPolarHBondContact OD1-CB 3.38Å; N215-K217 PolarHBondContact OD1-N 2.9Å
218S41.2Very low49.2Very low40 Ų4091.9 Ų91.928%0.2845%0.453SS..  trans-80.1129.9168.9-169.80000109.4N215 T220N215-S218 PolarHBondContact O-N 3.48Å; S218-T220 VanDerWaalsContact C-N 3.29Å; S218-T220 PolarHBondContact OG-N 3.3Å; S218-T220 PolarHBondContact OG-O 3.29Å; S218-T220 PolarHBondContact OG-OG1 2.82Å
219R46.2Very low50.6Low179 Ų17987.1 Ų87.168%0.67544%0.435SS*.SBendtrans-79.3-11.5171.5-78.1-175.1171.7-177.4-4.3113.2Y349R219-Y349 WeakPolarHBondContact O-CE2 3.09Å; R219-Y349 VanDerWaalsContact O-CZ 3.25Å; R219-Y349 PolarHBondContact O-OH 3.26Å
220T42.7Very low52.1Low64 Ų6489.4 Ų89.439%0.39345%0.449SS..SBendtrans-113.3134.418048.90000110.8S218 H222S218-T220 VanDerWaalsContact C-N 3.29Å; S218-T220 PolarHBondContact OG-N 3.3Å; S218-T220 PolarHBondContact OG-O 3.29Å; S218-T220 PolarHBondContact OG-OG1 2.82Å; T220-H222 PolarHBondContact O-N 3.34Å
221Y49.2Very low53.8Low66 Ų6685 Ų8526%0.25943%0.429SS..  trans-75.4113.9175.2-153.5-84.9000108.9L223 E345 K589 F590 P591Y221-L223 PolarHBondContact O-N 2.95Å; Y221-E345 WeakPolarHBondContact CB-OE2 3.34Å; Y221-K589 HydrophobicContact CE1-CB 4.43Å; Y221-F590 PolarHBondContact OH-O 3.49Å; Y221-P591 HydrophobicContact CD2-CB 4.1Å; Y221-P591 HydrophobicContact CD2-CG 4.3Å; Y221-P591 HydrophobicContact CE2-CB 4.43Å; Y221-P591 HydrophobicContact CG-CB 4.49Å; Y221-P591 HydrophobicContact CG-CG 4.23Å
222H52.1Low55.9Low119 Ų11979.5 Ų79.555%0.55140%0.4SS*.  trans-64.5114.9175.5-78.8-67.5000109.8Y213 T220Y213-H222 HydrophobicContact CD1-CB 4.28Å; Y213-H222 WeakPolarHBondContact CD1-O 3.39Å; T220-H222 PolarHBondContact O-N 3.34Å
223L55.3Low57.9Low41 Ų4174.6 Ų74.622%0.21538%0.379CS..  trans-46.6144.3170.2-68.273.6000109.3Y221 Q225 T338 F339 D342Y221-L223 PolarHBondContact O-N 2.95Å; L223-Q225 PolarHBondContact O-N 3.48Å; L223-T338 HydrophobicContact CB-CG2 3.9Å; L223-T338 HydrophobicContact CD2-CG2 3.81Å; L223-T338 HydrophobicContact CG-CG2 3.85Å; L223-F339 HydrophobicContact CD2-CD1 4.17Å; L223-F339 HydrophobicContact CD2-CE1 4.08Å; L223-F339 HydrophobicContact CD2-CZ 4.4Å; L223-D342 HydrophobicContact CD1-CB 3.89Å; L223-D342 HydrophobicContact CD2-CB 4.43Å; L223-D342 HydrophobicContact CG-CB 4.31Å
224N63Low59.9Low38 Ų3876 Ų7620%0.20339%0.388CS..  trans-50.6111.6168.2178.3-4.7000108.3F226 Y227 L586N224-F226 PolarHBondContact O-N 3.47Å; N224-F226 WeakPolarHBondContact OD1-CB 3.41Å; N224-F226 PolarHBondContact OD1-N 3.34Å; N224-Y227 HydrophobicContact CB-CD2 4.28Å; N224-Y227 PolarHBondContact O-N 2.9Å; N224-L586 WeakPolarHBondContact ND2-CD1 3.36Å
225Q66.4Low62.2Low85 Ų8571.3 Ų71.340%0.39736%0.355SS..G310 helixtrans-57.3-25.7-165.2-164.8-171.612.200111.7Y213 L223 Y227 S228 N231Y213-Q225 PolarHBondContact OH-N 3.25Å; L223-Q225 PolarHBondContact O-N 3.48Å; Q225-Y227 PolarHBondContact O-N 3.09Å; Q225-S228 WeakPolarHBondContact O-CB 3.39Å; Q225-S228 PolarHBondContact O-N 3.29Å; Q225-S228 PolarHBondContact O-OG 3.35Å; Q225-N231 PolarHBondContact O-ND2 3.32Å
226F70.6Confident64.6Low29 Ų2970.5 Ų70.513%0.12735%0.345CS..G310 helixtrans-56.2-31173.5178.2-117.9000114.8C201 N224 N231 Y331 L586C201-F226 HydrophobicContact CB-CE1 4.21Å; C201-F226 HydrophobicContact CB-CE2 3.73Å; C201-F226 HydrophobicContact CB-CZ 3.34Å; C201-F226 WeakPolarHBondContact SG-CE2 3.46Å; C201-F226 WeakPolarHBondContact SG-CZ 3.37Å; N224-F226 PolarHBondContact O-N 3.47Å; N224-F226 WeakPolarHBondContact OD1-CB 3.41Å; N224-F226 PolarHBondContact OD1-N 3.34Å; F226-N231 WeakPolarHBondContact O-CB 3.46Å; F226-Y331 HydrophobicContact CE1-CD2 4.13Å; F226-Y331 AromaticContact CE1-CE2 3.77Å; F226-Y331 HydrophobicContact CE1-CE2 3.77Å; F226-Y331 AromaticContact CE2-CE2 3.95Å; F226-Y331 HydrophobicContact CE2-CE2 3.95Å; F226-Y331 AromaticContact CZ-CD2 3.82Å; F226-Y331 HydrophobicContact CZ-CD2 3.82Å; F226-Y331 AromaticContact CZ-CE2 3.4Å; F226-Y331 HydrophobicContact CZ-CE2 3.4Å; F226-Y331 VanDerWaalsContact CZ-CE2 3.4Å; F226-Y331 PolarHBondContact O-OH 2.91Å; F226-L586 HydrophobicContact CB-CD1 3.8Å; F226-L586 HydrophobicContact CD1-CB 4.25Å; F226-L586 HydrophobicContact CD1-CD1 3.77Å; F226-L586 HydrophobicContact CD1-CG 3.94Å; F226-L586 HydrophobicContact CE1-CG 4.47Å; F226-L586 HydrophobicContact CG-CD1 3.89Å; F226-L586 HydrophobicContact CG-CG 4.48Å
227Y76.6Confident66.8Low1 Ų171.8 Ų71.80%0.00434%0.337CS..G310 helixtrans-97.16.7176.4-63.9-54.8000114N224 Q225 Y331 R334 V335 L586N224-Y227 HydrophobicContact CB-CD2 4.28Å; N224-Y227 PolarHBondContact O-N 2.9Å; Q225-Y227 PolarHBondContact O-N 3.09Å; Y227-Y331 HydrophobicContact CD1-CD2 4.23Å; Y227-Y331 AromaticContact CD1-CE2 3.73Å; Y227-Y331 HydrophobicContact CD1-CE2 3.73Å; Y227-Y331 AromaticContact CE1-CD2 3.89Å; Y227-Y331 HydrophobicContact CE1-CD2 3.89Å; Y227-Y331 AromaticContact CE1-CE2 3.76Å; Y227-Y331 HydrophobicContact CE1-CE2 3.76Å; Y227-R334 HydrophobicContact CD1-CB 4.1Å; Y227-R334 HydrophobicContact CE1-CB 3.54Å; Y227-R334 HydrophobicContact CE2-CB 4.31Å; Y227-R334 WeakPolarHBondContact OH-CD 3.32Å; Y227-V335 HydrophobicContact CD1-CG2 3.79Å; Y227-L586 HydrophobicContact CE2-CB 4.35Å; Y227-L586 PolarHBondContact OH-N 2.65Å; Y227-L586 PolarHBondContact OH-O 2.96Å
228S71.8Confident69.2Low26 Ų2665.3 Ų65.318%0.18231%0.309CS..SBendtrans-67.4160.3175.269.40000112.8Q225 E230 N231 M232Q225-S228 WeakPolarHBondContact O-CB 3.39Å; Q225-S228 PolarHBondContact O-N 3.29Å; Q225-S228 PolarHBondContact O-OG 3.35Å; S228-E230 PolarHBondContact O-N 3.38Å; S228-N231 PolarHBondContact O-N 3.08Å; S228-M232 WeakPolarHBondContact O-CB 3.37Å; S228-M232 PolarHBondContact O-N 2.97Å
229C73.4Confident71.5Confident41 Ų4163.8 Ų63.828%0.27730%0.298SS..Hα-helixtrans-54.1-36.4174.7-77.50000113.4L233 F339C229-L233 WeakPolarHBondContact O-CB 3.38Å; C229-L233 WeakPolarHBondContact O-CD1 3.41Å; C229-L233 WeakPolarHBondContact O-CG 3.45Å; C229-L233 PolarHBondContact O-N 2.79Å; C229-F339 VanDerWaalsContact SG-CZ 3.51Å
230E73.5Confident73.4Confident137 Ų13758.8 Ų58.864%0.6428%0.283SS*.Hα-helixtrans-65.8-53.3-177.6-176.1172.8-146.100111.7S228 M232 L233 E234S228-E230 PolarHBondContact O-N 3.38Å; E230-M232 VanDerWaalsContact C-N 3.32Å; E230-M232 PolarHBondContact O-N 2.96Å; E230-L233 PolarHBondContact O-N 3.04Å; E230-E234 PolarHBondContact O-N 3.44Å
231N78.9Confident75.7Confident30 Ų3061.4 Ų61.416%0.1629%0.29CS..Hα-helixtrans-65.3-35.6177-79.1-44.5000112.1Q225 F226 S228 E234 L235Q225-N231 PolarHBondContact O-ND2 3.32Å; F226-N231 WeakPolarHBondContact O-CB 3.46Å; S228-N231 PolarHBondContact O-N 3.08Å; N231-E234 PolarHBondContact O-N 3.15Å; N231-L235 WeakPolarHBondContact O-CB 3.24Å; N231-L235 PolarHBondContact O-N 2.83Å
232M81.8Confident77.7Confident27 Ų2758.7 Ų58.713%0.13328%0.279CS..Hα-helixtrans-62.1-42.4173.1177.8-82.7-6600111.8S228 E230 R236 W328 Y331 M332S228-M232 WeakPolarHBondContact O-CB 3.37Å; S228-M232 PolarHBondContact O-N 2.97Å; E230-M232 VanDerWaalsContact C-N 3.32Å; E230-M232 PolarHBondContact O-N 2.96Å; M232-R236 VanDerWaalsContact O-CB 3.25Å; M232-R236 WeakPolarHBondContact O-CB 3.44Å; M232-R236 PolarHBondContact O-N 3Å; M232-W328 HydrophobicContact CG-CH2 4.46Å; M232-Y331 WeakPolarHBondContact CA-OH 3.25Å; M232-Y331 HydrophobicContact CB-CE1 4.02Å; M232-Y331 HydrophobicContact CG-CE1 3.99Å; M232-Y331 PolarHBondContact N-OH 2.82Å; M232-M332 HydrophobicContact CG-SD 4.02Å
233L80.2Confident79.5Confident59 Ų5955.4 Ų55.431%0.30927%0.265SS..Hα-helixtrans-69.1-38176.6-73.9168.1000112.5C229 E230 K237 L531C229-L233 WeakPolarHBondContact O-CB 3.38Å; C229-L233 WeakPolarHBondContact O-CD1 3.41Å; C229-L233 WeakPolarHBondContact O-CG 3.45Å; C229-L233 PolarHBondContact O-N 2.79Å; E230-L233 PolarHBondContact O-N 3.04Å; L233-K237 WeakPolarHBondContact O-CG 3.48Å; L233-K237 PolarHBondContact O-N 3.5Å; L233-K237 VanDerWaalsContact O-N 3.1Å; L233-L531 HydrophobicContact CD1-CD2 4.15Å
234E81.7Confident81Confident88 Ų8859.5 Ų59.541%0.41128%0.283SS..Hα-helixtrans-67-44.8175.5-156.1-159.4157.500111.5E230 N231 R236 K237 K238E230-E234 PolarHBondContact O-N 3.44Å; N231-E234 PolarHBondContact O-N 3.15Å; E234-R236 PolarHBondContact O-N 3.1Å; E234-K237 WeakPolarHBondContact O-CB 3.39Å; E234-K237 PolarHBondContact O-N 3.45Å; E234-K238 WeakPolarHBondContact O-CG 3.36Å; E234-K238 PolarHBondContact O-N 3.37Å; E234-K238 VanDerWaalsContact O-N 3.09Å; E234-K238 WeakPolarHBondContact OE1-CE 3.41Å; E234-K238 IonicContact OE1-NZ 3.65Å; E234-K238 PolarHBondContact OE1-NZ 2.58Å; E234-K238 IonicContact OE2-NZ 3.99Å
235L85.6Confident82.4Confident9 Ų962.1 Ų62.15%0.04729%0.29CS..Hα-helixtrans-64.4-39.8175.7-168.363.9000111.1I197 N231 K237 K238 C239 Y327 W328 Y331I197-L235 HydrophobicContact CG2-CD1 4.01Å; N231-L235 WeakPolarHBondContact O-CB 3.24Å; N231-L235 PolarHBondContact O-N 2.83Å; L235-K237 VanDerWaalsContact C-N 3.32Å; L235-K237 PolarHBondContact O-N 3.27Å; L235-K238 PolarHBondContact O-N 3.04Å; L235-C239 WeakPolarHBondContact O-CB 3.44Å; L235-C239 PolarHBondContact O-N 3.03Å; L235-C239 PolarHBondContact O-SG 2.98Å; L235-Y327 HydrophobicContact CD2-CE1 4.28Å; L235-W328 HydrophobicContact CB-CZ3 4.21Å; L235-W328 HydrophobicContact CD2-CE3 4.5Å; L235-W328 HydrophobicContact CD2-CZ3 4.06Å; L235-W328 HydrophobicContact CG-CZ3 3.95Å; L235-Y331 HydrophobicContact CD2-CD1 3.92Å; L235-Y331 HydrophobicContact CD2-CD2 4.03Å; L235-Y331 HydrophobicContact CD2-CE1 3.89Å; L235-Y331 HydrophobicContact CD2-CE2 4.03Å; L235-Y331 HydrophobicContact CD2-CG 3.99Å
236R87.3Confident83.5Confident80 Ų8058 Ų5830%0.30227%0.271SS..Hα-helixtrans-56.2-43.6173.3-169.6178.3179.5-160.4-1.6111.7M232 E234 H240 W328 N547M232-R236 VanDerWaalsContact O-CB 3.25Å; M232-R236 WeakPolarHBondContact O-CB 3.44Å; M232-R236 PolarHBondContact O-N 3Å; E234-R236 PolarHBondContact O-N 3.1Å; R236-H240 WeakPolarHBondContact O-CB 3.44Å; R236-H240 PolarHBondContact O-N 3.22Å; R236-W328 HydrophobicContact CB-CH2 3.71Å; R236-W328 HydrophobicContact CB-CZ2 4.24Å; R236-W328 HydrophobicContact CB-CZ3 4.5Å; R236-W328 HydrophobicContact CG-CH2 4.21Å; R236-W328 HydrophobicContact CG-CZ2 4.23Å; R236-N547 PolarHBondContact NH1-OD1 2.98Å
237K87.7Confident84.3Confident153 Ų15358.3 Ų58.367%0.66528%0.277SS*.Hα-helixtrans-62.4-46.3175.9-70.8167.6-176.1176.20111.7L233 E234 L235 H240 H241L233-K237 WeakPolarHBondContact O-CG 3.48Å; L233-K237 PolarHBondContact O-N 3.5Å; L233-K237 VanDerWaalsContact O-N 3.1Å; E234-K237 WeakPolarHBondContact O-CB 3.39Å; E234-K237 PolarHBondContact O-N 3.45Å; L235-K237 VanDerWaalsContact C-N 3.32Å; L235-K237 PolarHBondContact O-N 3.27Å; K237-H240 PolarHBondContact O-N 2.87Å; K237-H241 WeakPolarHBondContact O-CB 3.5Å; K237-H241 PolarHBondContact O-N 3.31Å
238K87.7Confident84.9Confident60 Ų6063.9 Ų63.926%0.26130%0.303SS..Hα-helixtrans-63.5-47.3179.2-68.5170.1-176.4166.70112I197 Q200 E234 L235 H240 H241 W242I197-K238 HydrophobicContact CD1-CB 4.42Å; I197-K238 HydrophobicContact CG1-CB 4.42Å; Q200-K238 VanDerWaalsContact OE1-CD 3.22Å; E234-K238 WeakPolarHBondContact O-CG 3.36Å; E234-K238 PolarHBondContact O-N 3.37Å; E234-K238 VanDerWaalsContact O-N 3.09Å; E234-K238 WeakPolarHBondContact OE1-CE 3.41Å; E234-K238 IonicContact OE1-NZ 3.65Å; E234-K238 PolarHBondContact OE1-NZ 2.58Å; E234-K238 IonicContact OE2-NZ 3.99Å; L235-K238 PolarHBondContact O-N 3.04Å; K238-H240 PolarHBondContact O-N 2.95Å; K238-H241 PolarHBondContact O-N 2.94Å; K238-W242 PolarHBondContact O-N 3.46Å
239C89Confident85.8Confident8 Ų862.7 Ų62.75%0.05429%0.294CS..Hα-helixtrans-58.7-44.6174.8-67.60000112L235 W242 L243 L324L235-C239 WeakPolarHBondContact O-CB 3.44Å; L235-C239 PolarHBondContact O-N 3.03Å; L235-C239 PolarHBondContact O-SG 2.98Å; C239-W242 PolarHBondContact O-N 3.35Å; C239-L243 WeakPolarHBondContact O-CG 3.5Å; C239-L243 PolarHBondContact O-N 3.29Å; C239-L324 HydrophobicContact CB-CD2 4.25Å
240H87.5Confident86.5Confident74 Ų7462.1 Ų62.134%0.34329%0.287SS..Hα-helixtrans-67.4-42.4179.2-177.551.7000112.7R236 K237 K238 W242 L243 H244 C550R236-H240 WeakPolarHBondContact O-CB 3.44Å; R236-H240 PolarHBondContact O-N 3.22Å; K237-H240 PolarHBondContact O-N 2.87Å; K238-H240 PolarHBondContact O-N 2.95Å; H240-W242 VanDerWaalsContact C-N 3.33Å; H240-W242 PolarHBondContact O-N 3.47Å; H240-L243 PolarHBondContact O-N 2.91Å; H240-H244 PolarHBondContact O-N 3.4Å; H240-C550 PolarHBondContact NE2-SG 3.01Å; H240-C550 VanDerWaalsContact NE2-SG 3.37Å
241H89.7Confident87.1Confident119 Ų11958.4 Ų58.455%0.55127%0.274SS*.Hα-helixtrans-61.5-40.6175.2177.875.2000112K237 K238 H244 R245K237-H241 WeakPolarHBondContact O-CB 3.5Å; K237-H241 PolarHBondContact O-N 3.31Å; K238-H241 PolarHBondContact O-N 2.94Å; H241-H244 PolarHBondContact O-N 2.97Å; H241-R245 PolarHBondContact O-N 3.24Å; H241-R245 VanDerWaalsContact O-N 3.12Å
242W91.7Very high87.6Confident9 Ų959.5 Ų59.53%0.03428%0.277CS..Hα-helixtrans-64.9-45.1174.9-176.891.5000112.1L190 L194 I197 K238 C239 H240 H244 R245 V246 A320 L324L190-W242 PolarHBondContact O-NE1 3.22Å; L194-W242 HydrophobicContact CB-CZ2 3.7Å; L194-W242 HydrophobicContact CD1-CH2 4.14Å; L194-W242 HydrophobicContact CD1-CZ2 4.01Å; L194-W242 HydrophobicContact CD1-CZ3 4.49Å; L194-W242 HydrophobicContact CD2-CH2 4.12Å; L194-W242 HydrophobicContact CD2-CZ2 3.94Å; L194-W242 HydrophobicContact CG-CZ2 4.1Å; I197-W242 HydrophobicContact CD1-CB 3.54Å; I197-W242 HydrophobicContact CD1-CG 3.89Å; K238-W242 PolarHBondContact O-N 3.46Å; C239-W242 PolarHBondContact O-N 3.35Å; H240-W242 VanDerWaalsContact C-N 3.33Å; H240-W242 PolarHBondContact O-N 3.47Å; W242-H244 VanDerWaalsContact C-N 3.33Å; W242-H244 PolarHBondContact O-N 3.34Å; W242-R245 WeakPolarHBondContact O-CB 3.44Å; W242-R245 PolarHBondContact O-N 3.26Å; W242-R245 VanDerWaalsContact O-N 3.1Å; W242-V246 HydrophobicContact CD2-CG2 3.91Å; W242-V246 HydrophobicContact CE3-CG2 3.78Å; W242-V246 HydrophobicContact CH2-CG2 3.56Å; W242-V246 HydrophobicContact CZ2-CG2 3.63Å; W242-V246 HydrophobicContact CZ3-CG2 3.63Å; W242-V246 PolarHBondContact O-N 3.41Å; W242-A320 HydrophobicContact CH2-CB 4.13Å; W242-A320 HydrophobicContact CZ2-CB 4.22Å; W242-L324 HydrophobicContact CD2-CD2 4.22Å; W242-L324 HydrophobicContact CE3-CB 4.49Å; W242-L324 HydrophobicContact CE3-CD2 3.32Å; W242-L324 HydrophobicContact CE3-CG 4.46Å; W242-L324 HydrophobicContact CH2-CB 4.47Å; W242-L324 HydrophobicContact CZ3-CB 3.95Å; W242-L324 HydrophobicContact CZ3-CD2 3.6Å; W242-L324 HydrophobicContact CZ3-CG 4.39Å
243L89.6Confident87.9Confident49 Ų4958.2 Ų58.226%0.25727%0.271SS..Hα-helixtrans-60.2-40.3175.6-75168.6000112.3C239 H240 R245 V246 S247 R321 L324C239-L243 WeakPolarHBondContact O-CG 3.5Å; C239-L243 PolarHBondContact O-N 3.29Å; H240-L243 PolarHBondContact O-N 2.91Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 2.73Å; L243-V246 WeakPolarHBondContact O-CB 3.35Å; L243-V246 PolarHBondContact O-N 3.09Å; L243-S247 PolarHBondContact O-N 3.39Å; L243-R321 HydrophobicContact CD2-CG 4.21Å; L243-L324 HydrophobicContact CD1-CD2 4.35Å; L243-L324 HydrophobicContact CD2-CD2 4.2Å; L243-L324 HydrophobicContact CG-CD2 3.96Å
244H88.3Confident88.1Confident127 Ų12759.4 Ų59.459%0.58828%0.277SS*.Hα-helixtrans-62.1-38174.5-174.8-63.2000112.1H240 H241 W242 H248H240-H244 PolarHBondContact O-N 3.4Å; H241-H244 PolarHBondContact O-N 2.97Å; W242-H244 VanDerWaalsContact C-N 3.33Å; W242-H244 PolarHBondContact O-N 3.34Å; H244-H248 PolarHBondContact O-N 2.76Å; H244-H248 VanDerWaalsContact O-N 3.09Å
245R91.4Very high88.4Confident93 Ų9361.1 Ų61.135%0.35128%0.283SS..Hα-helixtrans-68-38.3173.4-72.1-177.159.2169.9-2.2112.2L190 H241 W242 L243 H248 C249L190-R245 HydrophobicContact CD2-CB 3.65Å; H241-R245 PolarHBondContact O-N 3.24Å; H241-R245 VanDerWaalsContact O-N 3.12Å; W242-R245 WeakPolarHBondContact O-CB 3.44Å; W242-R245 PolarHBondContact O-N 3.26Å; W242-R245 VanDerWaalsContact O-N 3.1Å; L243-R245 VanDerWaalsContact C-N 3.31Å; L243-R245 PolarHBondContact O-N 2.73Å; R245-H248 PolarHBondContact O-N 3.41Å; R245-C249 WeakPolarHBondContact O-CB 3.13Å; R245-C249 PolarHBondContact O-N 2.93Å; R245-C249 VanDerWaalsContact O-N 3.07Å
246V89.6Confident88.4Confident0 Ų061.6 Ų61.60%029%0.285CS..Hα-helixtrans-59.6-50.3173.1168.40000110.6L190 W242 L243 H248 C249 E250 L317 R321L190-V246 HydrophobicContact CD1-CG2 4.27Å; W242-V246 HydrophobicContact CD2-CG2 3.91Å; W242-V246 HydrophobicContact CE3-CG2 3.78Å; W242-V246 HydrophobicContact CH2-CG2 3.56Å; W242-V246 HydrophobicContact CZ2-CG2 3.63Å; W242-V246 HydrophobicContact CZ3-CG2 3.63Å; W242-V246 PolarHBondContact O-N 3.41Å; L243-V246 WeakPolarHBondContact O-CB 3.35Å; L243-V246 PolarHBondContact O-N 3.09Å; V246-H248 VanDerWaalsContact C-N 3.34Å; V246-H248 PolarHBondContact O-N 2.91Å; V246-C249 CarbonylContact O-C 3.55Å; V246-C249 WeakPolarHBondContact O-CA 3.26Å; V246-C249 VanDerWaalsContact O-CB 3.29Å; V246-C249 WeakPolarHBondContact O-CB 3.44Å; V246-C249 PolarHBondContact O-N 3.35Å; V246-E250 HydrophobicContact CG1-CG 4.11Å; V246-E250 WeakPolarHBondContact O-CG 3.41Å; V246-E250 PolarHBondContact O-N 2.93Å; V246-L317 HydrophobicContact CB-CD1 4.43Å; V246-L317 HydrophobicContact CG1-CD1 3.96Å; V246-L317 HydrophobicContact CG1-CG 4.07Å; V246-L317 HydrophobicContact CG2-CD1 4.06Å; V246-R321 HydrophobicContact CG1-CG 4.49Å
247S88Confident88.4Confident35 Ų3561.9 Ų61.925%0.24529%0.287CS..Hα-helixtrans-70.1-27.1-178.6-59.30000114.6L243 C249 E250 V251L243-S247 PolarHBondContact O-N 3.39Å; S247-C249 VanDerWaalsContact C-N 3.32Å; S247-E250 WeakPolarHBondContact CA-OE2 3.45Å; S247-E250 WeakPolarHBondContact CB-OE2 3.5Å; S247-E250 PolarHBondContact OG-OE2 3.49Å; S247-V251 WeakPolarHBondContact O-CG2 3.3Å; S247-V251 PolarHBondContact O-N 2.67Å
248H88.7Confident88.2Confident118 Ų11858.5 Ų58.555%0.54627%0.273SS..Hα-helixtrans-62.2-41.5165.2-177.9-90.2000111.8H244 R245 V246 V251 K252H244-H248 PolarHBondContact O-N 2.76Å; H244-H248 VanDerWaalsContact O-N 3.09Å; R245-H248 PolarHBondContact O-N 3.41Å; V246-H248 VanDerWaalsContact C-N 3.34Å; V246-H248 PolarHBondContact O-N 2.91Å; H248-V251 PolarHBondContact O-N 3.37Å; H248-K252 PolarHBondContact O-N 2.92Å
249C90.2Very high88.1Confident0 Ų059.5 Ų59.50%028%0.281CS..Hα-helixtrans-71.8-37.4178.3-157.60000112.4Y183 L190 R245 V246 S247 V251 K252 G253 L317Y183-C249 WeakPolarHBondContact CE2-O 3.31Å; Y183-C249 WeakPolarHBondContact CE2-SG 3.25Å; Y183-C249 PolarHBondContact OH-O 2.91Å; L190-C249 HydrophobicContact CD1-CB 3.57Å; R245-C249 WeakPolarHBondContact O-CB 3.13Å; R245-C249 PolarHBondContact O-N 2.93Å; R245-C249 VanDerWaalsContact O-N 3.07Å; V246-C249 CarbonylContact O-C 3.55Å; V246-C249 WeakPolarHBondContact O-CA 3.26Å; V246-C249 VanDerWaalsContact O-CB 3.29Å; V246-C249 WeakPolarHBondContact O-CB 3.44Å; V246-C249 PolarHBondContact O-N 3.35Å; S247-C249 VanDerWaalsContact C-N 3.32Å; C249-V251 VanDerWaalsContact C-N 3.33Å; C249-V251 PolarHBondContact O-N 2.86Å; C249-K252 PolarHBondContact O-N 3.14Å; C249-G253 PolarHBondContact O-N 2.81Å; C249-L317 HydrophobicContact CB-CD2 4.01Å
250E87.8Confident87.9Confident30 Ų3059.3 Ų59.314%0.1428%0.28CS..Hα-helixtrans-57.1-46.8170.2-68.1168.7141.500109.5V246 S247 G253 L254 L317 R321V246-E250 HydrophobicContact CG1-CG 4.11Å; V246-E250 WeakPolarHBondContact O-CG 3.41Å; V246-E250 PolarHBondContact O-N 2.93Å; S247-E250 WeakPolarHBondContact CA-OE2 3.45Å; S247-E250 WeakPolarHBondContact CB-OE2 3.5Å; S247-E250 PolarHBondContact OG-OE2 3.49Å; E250-G253 PolarHBondContact O-N 3.21Å; E250-L254 WeakPolarHBondContact O-CG 3.3Å; E250-L254 PolarHBondContact O-N 3.21Å; E250-L317 HydrophobicContact CG-CD2 3.78Å; E250-L317 HydrophobicContact CG-CG 4.41Å; E250-R321 WeakPolarHBondContact OE1-CD 3.28Å; E250-R321 IonicContact OE1-CZ 2.69Å; E250-R321 IonicContact OE1-NE 3.79Å; E250-R321 IonicContact OE1-NH1 2.7Å; E250-R321 PolarHBondContact OE1-NH1 3.05Å; E250-R321 IonicContact OE2-NH1 3.96Å
251V87.4Confident87.6Confident58 Ų5858.6 Ų58.635%0.35228%0.278SS..Hα-helixtrans-69.4-36.6177.6171.80000113.6S247 H248 C249 G253 K255S247-V251 WeakPolarHBondContact O-CG2 3.3Å; S247-V251 PolarHBondContact O-N 2.67Å; H248-V251 PolarHBondContact O-N 3.37Å; C249-V251 VanDerWaalsContact C-N 3.33Å; C249-V251 PolarHBondContact O-N 2.86Å; V251-G253 VanDerWaalsContact C-N 3.33Å; V251-K255 WeakPolarHBondContact O-CG 3.44Å; V251-K255 PolarHBondContact O-N 3.4Å
252K88.9Confident87Confident54 Ų5459.2 Ų59.224%0.23528%0.276CS..Hα-helixtrans-61.5-44.9171-178.8-179.6173.6179.50110.2E182 Y183 E186 H248 C249 K255 I256E182-K252 IonicContact OE1-NZ 2.67Å; E182-K252 PolarHBondContact OE1-NZ 2.9Å; Y183-K252 HydrophobicContact CD2-CD 4.2Å; Y183-K252 HydrophobicContact CD2-CG 4.26Å; Y183-K252 HydrophobicContact CE2-CB 4.31Å; Y183-K252 HydrophobicContact CE2-CG 4.41Å; E186-K252 WeakPolarHBondContact OE2-CD 3.38Å; E186-K252 WeakPolarHBondContact OE2-CE 3.48Å; E186-K252 IonicContact OE2-NZ 3.21Å; E186-K252 PolarHBondContact OE2-NZ 2.82Å; H248-K252 PolarHBondContact O-N 2.92Å; C249-K252 PolarHBondContact O-N 3.14Å; K252-K255 PolarHBondContact O-N 2.64Å; K252-I256 HydrophobicContact CG-CD1 4.36Å; K252-I256 PolarHBondContact O-N 3.1Å
253G88.3Confident85.8Confident0 Ų061.7 Ų61.70%029%0.287CS..Hα-helixtrans-61.7-47.5179.400000113.5C249 E250 V251 K255 I256 R257 F310C249-G253 PolarHBondContact O-N 2.81Å; E250-G253 PolarHBondContact O-N 3.21Å; V251-G253 VanDerWaalsContact C-N 3.33Å; G253-K255 PolarHBondContact O-N 3.3Å; G253-I256 PolarHBondContact O-N 3.49Å; G253-I256 VanDerWaalsContact O-N 3.08Å; G253-R257 PolarHBondContact O-N 3.1Å; G253-F310 VanDerWaalsContact C-CZ 3.48Å; G253-F310 VanDerWaalsContact CA-CZ 3.44Å; G253-F310 WeakPolarHBondContact O-CZ 3.28Å
254L85.1Confident84.1Confident84 Ų8461.9 Ų61.944%0.4429%0.288SS..Hα-helixtrans-58.2-33.1177.6-72.5171.8000112.7E250 E258E250-L254 WeakPolarHBondContact O-CG 3.3Å; E250-L254 PolarHBondContact O-N 3.21Å; L254-E258 WeakPolarHBondContact O-CB 3.23Å; L254-E258 PolarHBondContact O-N 3.13Å
255K86.5Confident82Confident124 Ų12459.4 Ų59.454%0.53929%0.285SS..Hα-helixtrans-70.6-39.9174.3-67.5171.3-176.8177.70112.9V251 K252 G253 R257 E258 N259V251-K255 WeakPolarHBondContact O-CG 3.44Å; V251-K255 PolarHBondContact O-N 3.4Å; K252-K255 PolarHBondContact O-N 2.64Å; G253-K255 PolarHBondContact O-N 3.3Å; K255-R257 VanDerWaalsContact C-N 3.32Å; K255-E258 PolarHBondContact O-N 3.03Å; K255-N259 WeakPolarHBondContact O-CB 3.43Å; K255-N259 VanDerWaalsContact O-CG 3.24Å; K255-N259 PolarHBondContact O-N 3.03Å
256I87.1Confident79.6Confident18 Ų1861 Ų619%0.09230%0.3CS..Hα-helixtrans-61.4-46.1174-64.2168000109.3I180 Y183 K252 G253 E258 N259 L260 F310I180-I256 HydrophobicContact CG1-CG2 4.34Å; Y183-I256 HydrophobicContact CD2-CD1 3.91Å; Y183-I256 HydrophobicContact CG-CD1 3.93Å; K252-I256 HydrophobicContact CG-CD1 4.36Å; K252-I256 PolarHBondContact O-N 3.1Å; G253-I256 PolarHBondContact O-N 3.49Å; G253-I256 VanDerWaalsContact O-N 3.08Å; I256-E258 PolarHBondContact O-N 3.38Å; I256-N259 PolarHBondContact O-N 2.8Å; I256-L260 HydrophobicContact CG2-CD1 4.33Å; I256-L260 WeakPolarHBondContact O-CG 3.36Å; I256-L260 PolarHBondContact O-N 3.34Å; I256-F310 HydrophobicContact CB-CE2 4.04Å; I256-F310 HydrophobicContact CD1-CE2 4.45Å; I256-F310 HydrophobicContact CG2-CD2 3.98Å; I256-F310 HydrophobicContact CG2-CE2 4Å
257R86.3Confident77.4Confident87 Ų8765.7 Ų65.733%0.32832%0.322SS..Hα-helixtrans-59.8-44.5175.3-160.2178.8-167.3-109.82.1112.5G253 K255 L260 L261 F310 D311G253-R257 PolarHBondContact O-N 3.1Å; K255-R257 VanDerWaalsContact C-N 3.32Å; R257-L260 PolarHBondContact O-N 3.32Å; R257-L261 VanDerWaalsContact O-CG 3.32Å; R257-L261 WeakPolarHBondContact O-CG 3.43Å; R257-L261 PolarHBondContact O-N 2.98Å; R257-L261 VanDerWaalsContact O-N 3.1Å; R257-F310 HydrophobicContact CB-CD1 4.13Å; R257-F310 HydrophobicContact CB-CE1 3.86Å; R257-F310 HydrophobicContact CG-CD1 4.16Å; R257-F310 HydrophobicContact CG-CE1 4.21Å; R257-D311 IonicContact CZ-OD1 2.73Å; R257-D311 IonicContact CZ-OD2 2.62Å; R257-D311 IonicContact NE-OD1 2.67Å; R257-D311 PolarHBondContact NE-OD1 3.2Å; R257-D311 IonicContact NE-OD2 3.53Å; R257-D311 IonicContact NH2-OD1 3.23Å; R257-D311 PolarHBondContact NH2-OD1 2.72Å; R257-D311 IonicContact NH2-OD2 3.43Å; R257-D311 PolarHBondContact NH2-OD2 2.96Å
258E83.8Confident74.8Confident82 Ų8269 Ų6938%0.38335%0.345SS..Hα-helixtrans-62.9-40.2176-170.3-177.7-136.100112.2L254 K255 I256 L261 R262L254-E258 WeakPolarHBondContact O-CB 3.23Å; L254-E258 PolarHBondContact O-N 3.13Å; K255-E258 PolarHBondContact O-N 3.03Å; I256-E258 PolarHBondContact O-N 3.38Å; E258-L261 PolarHBondContact O-N 3Å; E258-R262 WeakPolarHBondContact O-CB 3.48Å; E258-R262 WeakPolarHBondContact O-CG 3.29Å; E258-R262 PolarHBondContact O-N 3Å; E258-R262 IonicContact OE1-CZ 3.64Å; E258-R262 VanDerWaalsContact OE1-CZ 3.23Å; E258-R262 IonicContact OE1-NH1 2.69Å; E258-R262 PolarHBondContact OE1-NH1 3.48Å; E258-R262 IonicContact OE1-NH2 3.69Å; E258-R262 PolarHBondContact OE1-NH2 3.19Å; E258-R262 IonicContact OE2-CZ 2.69Å; E258-R262 IonicContact OE2-NH1 2.76Å; E258-R262 PolarHBondContact OE2-NH1 3.45Å; E258-R262 IonicContact OE2-NH2 3.82Å
259N85.3Confident71.8Confident81 Ų8168.6 Ų68.643%0.43336%0.355SS..Hα-helixtrans-65.3-42.9176.6-72.7-15000112.3K255 I256 L261 R262 K263K255-N259 WeakPolarHBondContact O-CB 3.43Å; K255-N259 VanDerWaalsContact O-CG 3.24Å; K255-N259 PolarHBondContact O-N 3.03Å; I256-N259 PolarHBondContact O-N 2.8Å; N259-L261 VanDerWaalsContact C-N 3.33Å; N259-L261 PolarHBondContact O-N 3.46Å; N259-R262 PolarHBondContact O-N 3.03Å; N259-K263 PolarHBondContact O-N 3.36Å; N259-K263 VanDerWaalsContact O-N 3.14Å
260L85.2Confident68.8Low4 Ų474.4 Ų74.42%0.02139%0.39CS..Hα-helixtrans-59.5-43.2174.8-69.5169.7000111.5N176 I180 I256 R257 Y303 H306 I307N176-L260 HydrophobicContact CB-CD2 3.8Å; I180-L260 HydrophobicContact CD1-CD1 4.06Å; I256-L260 HydrophobicContact CG2-CD1 4.33Å; I256-L260 WeakPolarHBondContact O-CG 3.36Å; I256-L260 PolarHBondContact O-N 3.34Å; R257-L260 PolarHBondContact O-N 3.32Å; L260-Y303 HydrophobicContact CD2-CD1 4.41Å; L260-Y303 VanDerWaalsContact O-CD1 3.27Å; L260-Y303 WeakPolarHBondContact O-CD1 3.35Å; L260-H306 HydrophobicContact CD1-CB 4.48Å; L260-H306 HydrophobicContact CD2-CB 4.2Å; L260-I307 HydrophobicContact CB-CD1 4.42Å; L260-I307 HydrophobicContact CB-CG1 4.1Å; L260-I307 HydrophobicContact CD1-CG1 4.13Å
261L81.3Confident65.9Low58 Ų5879.5 Ų79.530%0.30442%0.423SS..Hα-helixtrans-68.8-34.8177.1-66.6171.6000112.6R257 E258 N259 L299 I307R257-L261 VanDerWaalsContact O-CG 3.32Å; R257-L261 WeakPolarHBondContact O-CG 3.43Å; R257-L261 PolarHBondContact O-N 2.98Å; R257-L261 VanDerWaalsContact O-N 3.1Å; E258-L261 PolarHBondContact O-N 3Å; N259-L261 VanDerWaalsContact C-N 3.33Å; N259-L261 PolarHBondContact O-N 3.46Å; L261-L299 HydrophobicContact CD2-CD1 3.66Å; L261-I307 HydrophobicContact CD2-CD1 3.78Å; L261-I307 HydrophobicContact CG-CD1 4.48Å
262R76.8Confident63.2Low133 Ų13384.9 Ų84.950%0.50245%0.448SS..Hα-helixtrans-75-37.4-177.5-83.7-175.1175.9132.711.1114.8E258 N259 N264 S265E258-R262 WeakPolarHBondContact O-CB 3.48Å; E258-R262 WeakPolarHBondContact O-CG 3.29Å; E258-R262 PolarHBondContact O-N 3Å; E258-R262 IonicContact OE1-CZ 3.64Å; E258-R262 VanDerWaalsContact OE1-CZ 3.23Å; E258-R262 IonicContact OE1-NH1 2.69Å; E258-R262 PolarHBondContact OE1-NH1 3.48Å; E258-R262 IonicContact OE1-NH2 3.69Å; E258-R262 PolarHBondContact OE1-NH2 3.19Å; E258-R262 IonicContact OE2-CZ 2.69Å; E258-R262 IonicContact OE2-NH1 2.76Å; E258-R262 PolarHBondContact OE2-NH1 3.45Å; E258-R262 IonicContact OE2-NH2 3.82Å; N259-R262 PolarHBondContact O-N 3.03Å; R262-N264 PolarHBondContact O-N 3.29Å; R262-S265 PolarHBondContact O-N 2.7Å; R262-S265 PolarHBondContact O-OG 2.87Å
263K66.3Low60.6Low61 Ų6191.1 Ų91.127%0.26548%0.479SS..Hα-helixtrans-55.5-33.4-171-80.1-173.5177.1-177.60113.6D172 N176 N259 S265 N266 Y303D172-K263 WeakPolarHBondContact OD1-CE 3.24Å; D172-K263 IonicContact OD1-NZ 3.72Å; D172-K263 PolarHBondContact OD1-NZ 3.31Å; N176-K263 PolarHBondContact OD1-NZ 2.83Å; N259-K263 PolarHBondContact O-N 3.36Å; N259-K263 VanDerWaalsContact O-N 3.14Å; K263-S265 VanDerWaalsContact C-N 3.26Å; K263-S265 PolarHBondContact O-N 3.33Å; K263-N266 PolarHBondContact O-N 2.97Å; K263-Y303 HydrophobicContact CB-CE1 3.77Å; K263-Y303 WeakPolarHBondContact CB-OH 3.16Å; K263-Y303 HydrophobicContact CD-CE1 4.13Å; K263-Y303 WeakPolarHBondContact CD-OH 3.44Å; K263-Y303 HydrophobicContact CG-CE1 4.5Å
264N53.5Low57.8Low52 Ų52100.4 Ų100.428%0.27852%0.522SS..G310 helixtrans-62.7-26178.7-16133.7000113.9R262 N266 D298 L299R262-N264 PolarHBondContact O-N 3.29Å; N264-N266 PolarHBondContact O-N 3.39Å; N264-N266 VanDerWaalsContact O-N 3.16Å; N264-D298 PolarHBondContact ND2-O 2.87Å; N264-L299 HydrophobicContact CB-CD2 3.8Å
265S43.7Very low55.4Low75 Ų75105.8 Ų105.852%0.52455%0.545SS..G310 helixtrans-69.7-12.6-178.468.90000114.4R262 K263R262-S265 PolarHBondContact O-N 2.7Å; R262-S265 PolarHBondContact O-OG 2.87Å; K263-S265 VanDerWaalsContact C-N 3.26Å; K263-S265 PolarHBondContact O-N 3.33Å
266N41.9Very low52.8Low126 Ų126107 Ų10767%0.67456%0.557SS**G310 helixtrans-101.4-12.5-170.1-65.2-0.7000113.7K263 N264K263-N266 PolarHBondContact O-N 2.97Å; N264-N266 PolarHBondContact O-N 3.39Å; N264-N266 VanDerWaalsContact O-N 3.16Å
267Q43.5Very low50.5Low100 Ų100113 Ų11347%0.46760%0.595SS.*SBendtrans-90.5-12.3178.3-66.8-1682.900113.7N167N167-Q267 PolarHBondContact ND2-OE1 2.88Å
268S32.4Very low47.8Very low104 Ų104114.6 Ų114.673%0.72761%0.614SS**SBendtrans-92.510.8-176.555.80000115
269C26.2Very low45.4Very low110 Ų110117.4 Ų117.474%0.74363%0.631SS**  trans-128.568.2-174.2-161.10000113.4
270T26.6Very low42.8Very low121 Ų121120.9 Ų120.974%0.74264%0.642SS**  trans-134.488.1170.9550000111.4
271T27.8Very low40Very low137 Ų137126.6 Ų126.684%0.8468%0.681SS**  trans172.779145.8-67.80000109.3
272I31.5Very low37.6Very low171 Ų171131.7 Ų131.788%0.87771%0.708SS**  trans-136.3138.2150.5-62.1-174.6000105.6
273Q33.2Very low35.4Very low186 Ų186131.9 Ų131.987%0.86972%0.724SS**  trans-79.9157.3-172-64.2175.9-90.900112.4
274E29Very low33.6Very low195 Ų195134.2 Ų134.291%0.91175%0.748SS**  trans-68.5133.6175.4-58.3163.2123.200111.1
275E35.3Very low32.4Very low196 Ų196137 Ų13792%0.91677%0.772SS**  trans-152.7146.4147.5-133173.1-145.700110
276D32.4Very low31.9Very low149 Ų149143.7 Ų143.780%0.79779%0.791SS**  trans-71.8135.5-164.1-77.6-67.6000115
277T37.4Very low31.2Very low144 Ų144143.7 Ų143.788%0.88380%0.797SS**  -164.7152.6120.3110000112.1
278T31.1Very low30.5Very low121 Ų121142.2 Ų142.274%0.74281%0.808SS**  trans-113174.4-169.749.50000113.3
279I32Very low30.4Very low142 Ų142143.3 Ų143.373%0.72881%0.81SS**  trans106.1103158.3-56.4177.3000117.2
280K31.3Very low30.6Very low154 Ų154147 Ų14767%0.6781%0.809SS**  trans78.7116.9148.5-70.4171.2-175.7-175.70120.7
281C26.5Very low30.8Very low123 Ų123144.5 Ų144.583%0.83180%0.8SS**  trans-76.1157152.7-62.10000110.9
282D31.5Very low31.1Very low166 Ų166143.6 Ų143.689%0.88879%0.79SS**  trans-136.4147.8154.4-96.6-46.4000108.7
283T29.7Very low31.4Very low136 Ų136139.7 Ų139.783%0.83478%0.783SS**  trans-91.6124.7-167.351.30000113.7
284S29.1Very low31.6Very low110 Ų110134.8 Ų134.877%0.76977%0.77SS**  trans-165142.5150.745.40000114.5
285S28.8Very low32.3Very low111 Ų111129.6 Ų129.678%0.77675%0.748SS**  trans33.3109.5154.359.70000120.2
286K31.9Very low32.8Very low215 Ų215122.2 Ų122.294%0.93572%0.721SS**  trans-145133.8131.3-111.5159.9-172.3173.30110.3
287T28.7Very low33.6Very low127 Ų127124.4 Ų124.478%0.77972%0.719SS**  trans-67.8142.6-176.744.30000111.3T289T287-T289 PolarHBondContact O-N 3.11Å
288G27.4Very low35Very low68 Ų68124.1 Ų124.170%0.70171%0.712SS**  trans-68.992.4172.500000111.2W290G288-W290 PolarHBondContact O-N 3.14Å
289T30.8Very low37.2Very low127 Ų127119.2 Ų119.278%0.77968%0.681SS**PPolyproline II helixtrans-63.7120.9166.4-49.80000108T287 A291T287-T289 PolarHBondContact O-N 3.11Å; T289-A291 PolarHBondContact O-N 2.95Å
290W30.1Very low39.8Very low188 Ų188114.3 Ų114.371%0.71266%0.659SS**PPolyproline II helixtrans-64.9127.1177.7-68.839.3000108.5G288 N292G288-W290 PolarHBondContact O-N 3.14Å; W290-N292 PolarHBondContact O-N 3.36Å
291A31.7Very low42.4Very low69 Ų69108 Ų10857%0.5763%0.633SS**PPolyproline II helixtrans-59.5137.6177.400000110T289T289-A291 PolarHBondContact O-N 2.95Å
292N34.1Very low45.4Very low117 Ų117102.4 Ų102.463%0.62660%0.595SS**PPolyproline II helixtrans-73.3150.2-177.4-78.7-59.6000109.5W290 S294 D295W290-N292 PolarHBondContact O-N 3.36Å; N292-S294 PolarHBondContact O-N 3.47Å; N292-D295 PolarHBondContact N-OD2 2.92Å; N292-D295 PolarHBondContact O-N 3.26Å
293A36.4Very low48.2Very low89 Ų8995.1 Ų95.174%0.73656%0.555SS**THydrogen-bonded Turntrans-62.7-4.7171.800000113.7Y297A293-Y297 WeakPolarHBondContact O-CE2 3.43Å
294S39.2Very low50.8Low83 Ų8390.9 Ų90.958%0.5853%0.529SS*.THydrogen-bonded Turntrans-72.3-33.2167.8-166.10000112.8N292 A296N292-S294 PolarHBondContact O-N 3.47Å; S294-A296 PolarHBondContact O-N 3.35Å
295D42.1Very low53.6Low87 Ų8785.8 Ų85.847%0.46549%0.493SS..THydrogen-bonded Turntrans-79.6-8.7-169.6-49.2-35.4000111.9N292 Y297N292-D295 PolarHBondContact N-OD2 2.92Å; N292-D295 PolarHBondContact O-N 3.26Å; D295-Y297 VanDerWaalsContact C-N 3.35Å
296A46Very low56.5Low41 Ų4180.5 Ų80.534%0.33946%0.456SS..THydrogen-bonded Turntrans-80.6-9.9-178.600000114.4S294 L299S294-A296 PolarHBondContact O-N 3.35Å; A296-L299 HydrophobicContact CB-CD1 4.47Å
297Y50.7Low59.1Low195 Ų19571.2 Ų71.277%0.76542%0.416SS*.SBendtrans-86.7-19.7-179-68.5-84.5000113.5A293 D295 L299A293-Y297 WeakPolarHBondContact O-CE2 3.43Å; D295-Y297 VanDerWaalsContact C-N 3.35Å; Y297-L299 VanDerWaalsContact C-N 3.3Å; Y297-L299 PolarHBondContact O-N 3.23Å
298D66.1Low61.6Low137 Ų13768.3 Ų68.373%0.73340%0.396SS*.SBendtrans-93.620.5-179.9-62.7-17.6000112.4N264N264-D298 PolarHBondContact ND2-O 2.87Å
299L77.2Confident64.3Low18 Ų1865.9 Ų65.99%0.09437%0.367CS..SBendtrans-95.6141.7-179.3-75.2163.5000111.6L261 N264 A296 Y297 V304 I307L261-L299 HydrophobicContact CD2-CD1 3.66Å; N264-L299 HydrophobicContact CB-CD2 3.8Å; A296-L299 HydrophobicContact CB-CD1 4.47Å; Y297-L299 VanDerWaalsContact C-N 3.3Å; Y297-L299 PolarHBondContact O-N 3.23Å; L299-V304 HydrophobicContact CB-CG2 3.76Å; L299-V304 WeakPolarHBondContact O-CG2 3.48Å; L299-I307 HydrophobicContact CD1-CD1 3.62Å
300P85.8Confident67Low40 Ų4059.9 Ų59.926%0.2633%0.33SS..  trans-53.3145.4171.6-2836.1000112.9L166 D302 Y303 V304L166-P300 HydrophobicContact CD1-CB 3.91Å; P300-D302 WeakPolarHBondContact CB-OD1 3.03Å; P300-D302 PolarHBondContact O-N 2.76Å; P300-D302 VanDerWaalsContact O-N 3.09Å; P300-Y303 HydrophobicContact CB-CD2 4.19Å; P300-Y303 HydrophobicContact CG-CD2 4.43Å; P300-Y303 WeakPolarHBondContact O-CA 3.49Å; P300-Y303 WeakPolarHBondContact O-CB 3.44Å; P300-Y303 PolarHBondContact O-N 3.37Å; P300-V304 PolarHBondContact O-N 3.4Å
301V87.6Confident69.6Low21 Ų2152.9 Ų52.913%0.12731%0.307CS..Hα-helixtrans-54.7-33.8-171.8165.60000113.4G34 Q156 H157 L166 V304 F305G34-V301 VanDerWaalsContact CA-CG1 3.47Å; Q156-V301 HydrophobicContact CB-CG2 4.37Å; Q156-V301 HydrophobicContact CG-CG2 4.29Å; Q156-V301 WeakPolarHBondContact O-CG2 3.37Å; H157-V301 WeakPolarHBondContact ND1-CG2 3.17Å; L166-V301 HydrophobicContact CD1-CB 4.08Å; L166-V301 HydrophobicContact CD2-CB 4.45Å; V301-V304 PolarHBondContact O-N 3.47Å; V301-F305 WeakPolarHBondContact O-CB 3.38Å; V301-F305 PolarHBondContact O-N 2.97Å
302D88.7Confident72Confident5 Ų553.6 Ų53.63%0.02730%0.295CS..Hα-helixtrans-76.6-32.4-179.971.1-56.7000112.9T32 F168 P300 H306T32-D302 VanDerWaalsContact O-CA 3.24Å; T32-D302 WeakPolarHBondContact O-CA 3.31Å; T32-D302 WeakPolarHBondContact O-CB 3.3Å; F168-D302 HydrophobicContact CD2-CB 4.14Å; F168-D302 HydrophobicContact CE2-CB 4.29Å; P300-D302 WeakPolarHBondContact CB-OD1 3.03Å; P300-D302 PolarHBondContact O-N 2.76Å; P300-D302 VanDerWaalsContact O-N 3.09Å; D302-H306 PolarHBondContact O-N 2.8Å; D302-H306 VanDerWaalsContact O-N 3.13Å; D302-H306 PolarHBondContact O-ND1 3.28Å
303Y89.1Confident74.5Confident14 Ų1448.6 Ų48.66%0.05527%0.268CS..Hα-helixtrans-68.8-40.9167.5-80.3-94.4000111.4D172 N176 L260 K263 P300 H306 I307D172-Y303 PolarHBondContact OD2-OH 3.35Å; D172-Y303 VanDerWaalsContact OD2-OH 3.05Å; N176-Y303 WeakPolarHBondContact ND2-CE1 3.34Å; N176-Y303 PolarHBondContact ND2-OH 3.05Å; L260-Y303 HydrophobicContact CD2-CD1 4.41Å; L260-Y303 VanDerWaalsContact O-CD1 3.27Å; L260-Y303 WeakPolarHBondContact O-CD1 3.35Å; K263-Y303 HydrophobicContact CB-CE1 3.77Å; K263-Y303 WeakPolarHBondContact CB-OH 3.16Å; K263-Y303 HydrophobicContact CD-CE1 4.13Å; K263-Y303 WeakPolarHBondContact CD-OH 3.44Å; K263-Y303 HydrophobicContact CG-CE1 4.5Å; P300-Y303 HydrophobicContact CB-CD2 4.19Å; P300-Y303 HydrophobicContact CG-CD2 4.43Å; P300-Y303 WeakPolarHBondContact O-CA 3.49Å; P300-Y303 WeakPolarHBondContact O-CB 3.44Å; P300-Y303 PolarHBondContact O-N 3.37Å; Y303-H306 PolarHBondContact O-N 3.43Å; Y303-I307 WeakPolarHBondContact O-CG1 3.21Å; Y303-I307 PolarHBondContact O-N 3.03Å
304V85.5Confident76.8Confident46 Ų4646.1 Ų46.128%0.27924%0.242SC..Hα-helixtrans-62.4-44174.5174.40000111.2L299 P300 V301 H306 I307 I308L299-V304 HydrophobicContact CB-CG2 3.76Å; L299-V304 WeakPolarHBondContact O-CG2 3.48Å; P300-V304 PolarHBondContact O-N 3.4Å; V301-V304 PolarHBondContact O-N 3.47Å; V304-H306 VanDerWaalsContact C-N 3.31Å; V304-H306 PolarHBondContact O-N 3.22Å; V304-I307 PolarHBondContact O-N 2.72Å; V304-I308 HydrophobicContact CG1-CD1 3.69Å; V304-I308 HydrophobicContact CG1-CG1 4.34Å; V304-I308 WeakPolarHBondContact O-CB 3.35Å; V304-I308 VanDerWaalsContact O-CG1 3.3Å; V304-I308 WeakPolarHBondContact O-CG1 3.44Å; V304-I308 PolarHBondContact O-N 3.4Å
305F87Confident78.9Confident3 Ų346.8 Ų46.81%0.01324%0.238CC..Hα-helixtrans-56.9-43.1173.2169.4-98.9000112.3F31 L68 M72 W173 V301 T309F31-F305 HydrophobicContact CD1-CZ 4.46Å; F31-F305 HydrophobicContact CE1-CD2 4.36Å; F31-F305 HydrophobicContact CE1-CE1 4.23Å; F31-F305 AromaticContact CE1-CE2 3.74Å; F31-F305 HydrophobicContact CE1-CE2 3.74Å; F31-F305 AromaticContact CE1-CZ 3.67Å; F31-F305 HydrophobicContact CE1-CZ 3.67Å; F31-F305 HydrophobicContact CZ-CE2 4.32Å; L68-F305 HydrophobicContact CB-CZ 4.29Å; L68-F305 HydrophobicContact CD2-CZ 4.49Å; M72-F305 HydrophobicContact CE-CD2 3.74Å; M72-F305 HydrophobicContact CE-CE2 4.38Å; M72-F305 HydrophobicContact SD-CD2 3.78Å; M72-F305 HydrophobicContact SD-CE2 3.89Å; W173-F305 HydrophobicContact CZ2-CE1 4.3Å; V301-F305 WeakPolarHBondContact O-CB 3.38Å; V301-F305 PolarHBondContact O-N 2.97Å; F305-T309 WeakPolarHBondContact O-CB 3.23Å; F305-T309 PolarHBondContact O-N 3.26Å; F305-T309 PolarHBondContact O-OG1 2.92Å
306H89.4Confident80.8Confident0 Ų047.9 Ų47.90%024%0.236CC..Hα-helixtrans-67.7-43.2176.9-81137.5000113.2W173 R177 I180 L260 D302 Y303 V304 T309 F310W173-H306 AromaticContact CD1-CE1 3.31Å; W173-H306 AromaticContact CD1-ND1 3.95Å; W173-H306 AromaticContact CD2-CE1 3.95Å; W173-H306 AromaticContact CE2-CE1 3.72Å; W173-H306 AromaticContact CE2-NE2 3.92Å; W173-H306 AromaticContact CG-CE1 3.72Å; W173-H306 AromaticContact NE1-CE1 3.32Å; W173-H306 PolarHBondContact NE1-CE1 2.87Å; W173-H306 VanDerWaalsContact NE1-CE1 3.32Å; W173-H306 AromaticContact NE1-NE2 3.83Å; W173-H306 PolarHBondContact O-CE1 2.89Å; W173-H306 VanDerWaalsContact O-CE1 3.31Å; R177-H306 WeakPolarHBondContact CB-NE2 3.38Å; R177-H306 WeakPolarHBondContact CD-NE2 3.45Å; I180-H306 HydrophobicContact CD1-CB 3.61Å; L260-H306 HydrophobicContact CD1-CB 4.48Å; L260-H306 HydrophobicContact CD2-CB 4.2Å; D302-H306 PolarHBondContact O-N 2.8Å; D302-H306 VanDerWaalsContact O-N 3.13Å; D302-H306 PolarHBondContact O-ND1 3.28Å; Y303-H306 PolarHBondContact O-N 3.43Å; V304-H306 VanDerWaalsContact C-N 3.31Å; V304-H306 PolarHBondContact O-N 3.22Å; H306-T309 WeakPolarHBondContact O-CB 3.43Å; H306-T309 PolarHBondContact O-N 3.2Å; H306-F310 WeakPolarHBondContact O-CB 3.48Å; H306-F310 PolarHBondContact O-N 2.91Å
307I86.6Confident82.7Confident20 Ų2046 Ų4610%0.10322%0.22CC..Hα-helixtrans-65.1-42.9177-68.6163.1000111.1L260 L261 L299 Y303 V304 T309 F310 D311L260-I307 HydrophobicContact CB-CD1 4.42Å; L260-I307 HydrophobicContact CB-CG1 4.1Å; L260-I307 HydrophobicContact CD1-CG1 4.13Å; L261-I307 HydrophobicContact CD2-CD1 3.78Å; L261-I307 HydrophobicContact CG-CD1 4.48Å; L299-I307 HydrophobicContact CD1-CD1 3.62Å; Y303-I307 WeakPolarHBondContact O-CG1 3.21Å; Y303-I307 PolarHBondContact O-N 3.03Å; V304-I307 PolarHBondContact O-N 2.72Å; I307-T309 VanDerWaalsContact C-N 3.27Å; I307-T309 PolarHBondContact O-N 3.36Å; I307-F310 PolarHBondContact O-N 3.07Å; I307-D311 WeakPolarHBondContact O-CB 3.32Å; I307-D311 PolarHBondContact O-N 3Å
308I81.9Confident84.3Confident67 Ų6738.8 Ų38.834%0.34420%0.196SC..Hα-helixtrans-62.8-34.5175-69.1170.3000111.5M72 V304 R312M72-I308 HydrophobicContact CE-CD1 4.38Å; M72-I308 HydrophobicContact CE-CG2 4.12Å; V304-I308 HydrophobicContact CG1-CD1 3.69Å; V304-I308 HydrophobicContact CG1-CG1 4.34Å; V304-I308 WeakPolarHBondContact O-CB 3.35Å; V304-I308 VanDerWaalsContact O-CG1 3.3Å; V304-I308 WeakPolarHBondContact O-CG1 3.44Å; V304-I308 PolarHBondContact O-N 3.4Å; I308-R312 WeakPolarHBondContact O-CD 3.39Å; I308-R312 VanDerWaalsContact O-CG 3.25Å; I308-R312 WeakPolarHBondContact O-CG 3.28Å; I308-R312 PolarHBondContact O-NE 2.73Å; I308-R312 VanDerWaalsContact O-NE 3.15Å
309T83.4Confident85.1Confident17 Ų1736 Ų3610%0.10418%0.179CC..Hα-helixtrans-68.9-46.2173.3-58.50000110.9I180 F305 H306 I307I180-T309 HydrophobicContact CG2-CG2 3.96Å; F305-T309 WeakPolarHBondContact O-CB 3.23Å; F305-T309 PolarHBondContact O-N 3.26Å; F305-T309 PolarHBondContact O-OG1 2.92Å; H306-T309 WeakPolarHBondContact O-CB 3.43Å; H306-T309 PolarHBondContact O-N 3.2Å; I307-T309 VanDerWaalsContact C-N 3.27Å; I307-T309 PolarHBondContact O-N 3.36Å
310F88Confident85.5Confident0 Ų035.4 Ų35.40%018%0.176CC..Hα-helixtrans-65.5-48.7-176.3179.2-87.9000112.7I180 Y183 G253 I256 R257 H306 I307 R312 I313 L314I180-F310 HydrophobicContact CD1-CB 4.44Å; I180-F310 HydrophobicContact CG1-CB 4.4Å; I180-F310 HydrophobicContact CG1-CD2 4.24Å; Y183-F310 HydrophobicContact CD1-CD2 4.14Å; Y183-F310 AromaticContact CD1-CE2 3.42Å; Y183-F310 HydrophobicContact CD1-CE2 3.42Å; Y183-F310 VanDerWaalsContact CD1-CE2 3.42Å; Y183-F310 HydrophobicContact CD1-CZ 4.13Å; Y183-F310 HydrophobicContact CE1-CD2 4.48Å; Y183-F310 AromaticContact CE1-CE2 3.51Å; Y183-F310 HydrophobicContact CE1-CE2 3.51Å; Y183-F310 AromaticContact CE1-CZ 3.72Å; Y183-F310 HydrophobicContact CE1-CZ 3.72Å; Y183-F310 HydrophobicContact CG-CE2 4.11Å; G253-F310 VanDerWaalsContact C-CZ 3.48Å; G253-F310 VanDerWaalsContact CA-CZ 3.44Å; G253-F310 WeakPolarHBondContact O-CZ 3.28Å; I256-F310 HydrophobicContact CB-CE2 4.04Å; I256-F310 HydrophobicContact CD1-CE2 4.45Å; I256-F310 HydrophobicContact CG2-CD2 3.98Å; I256-F310 HydrophobicContact CG2-CE2 4Å; R257-F310 HydrophobicContact CB-CD1 4.13Å; R257-F310 HydrophobicContact CB-CE1 3.86Å; R257-F310 HydrophobicContact CG-CD1 4.16Å; R257-F310 HydrophobicContact CG-CE1 4.21Å; H306-F310 WeakPolarHBondContact O-CB 3.48Å; H306-F310 PolarHBondContact O-N 2.91Å; I307-F310 PolarHBondContact O-N 3.07Å; F310-R312 PolarHBondContact O-N 3.24Å; F310-R312 VanDerWaalsContact O-N 3.14Å; F310-I313 WeakPolarHBondContact O-CA 3.26Å; F310-I313 WeakPolarHBondContact O-CB 3.36Å; F310-I313 PolarHBondContact O-N 3.36Å; F310-L314 HydrophobicContact CE1-CB 4.3Å; F310-L314 HydrophobicContact CE1-CD2 4.4Å; F310-L314 PolarHBondContact O-N 3.12Å; F310-L314 VanDerWaalsContact O-N 3.1Å
311D84.5Confident85.6Confident42 Ų4234.2 Ų34.223%0.22517%0.167CC..Hα-helixtrans-61.9-26.8-176.9-79.63.7000112.2R257 I307 L314 I315R257-D311 IonicContact CZ-OD1 2.73Å; R257-D311 IonicContact CZ-OD2 2.62Å; R257-D311 IonicContact NE-OD1 2.67Å; R257-D311 PolarHBondContact NE-OD1 3.2Å; R257-D311 IonicContact NE-OD2 3.53Å; R257-D311 IonicContact NH2-OD1 3.23Å; R257-D311 PolarHBondContact NH2-OD1 2.72Å; R257-D311 IonicContact NH2-OD2 3.43Å; R257-D311 PolarHBondContact NH2-OD2 2.96Å; I307-D311 WeakPolarHBondContact O-CB 3.32Å; I307-D311 PolarHBondContact O-N 3Å; D311-L314 PolarHBondContact O-N 3.3Å; D311-I315 WeakPolarHBondContact O-CD1 3.45Å; D311-I315 VanDerWaalsContact O-CG1 3.24Å; D311-I315 WeakPolarHBondContact O-CG1 3.16Å; D311-I315 PolarHBondContact O-N 2.91Å
312R83.2Confident85.5Confident84 Ų8436.1 Ų36.132%0.31718%0.178SC..Hα-helixtrans-67.2-38.2171.8-66162.4-175.2-124.8-14113R71 M72 L73 I308 F310 L314 I315 R316R71-R312 PolarHBondContact O-NH1 2.84Å; M72-R312 VanDerWaalsContact C-NH1 3.29Å; L73-R312 VanDerWaalsContact N-NH2 3.2Å; I308-R312 WeakPolarHBondContact O-CD 3.39Å; I308-R312 VanDerWaalsContact O-CG 3.25Å; I308-R312 WeakPolarHBondContact O-CG 3.28Å; I308-R312 PolarHBondContact O-NE 2.73Å; I308-R312 VanDerWaalsContact O-NE 3.15Å; F310-R312 PolarHBondContact O-N 3.24Å; F310-R312 VanDerWaalsContact O-N 3.14Å; R312-L314 VanDerWaalsContact C-N 3.34Å; R312-I315 PolarHBondContact O-N 3.48Å; R312-R316 PolarHBondContact O-N 3.22Å
313I87Confident85.3Confident12 Ų1237.9 Ų37.96%0.06219%0.186CC..Hα-helixtrans-68.4-40.7178.1-58.8162.2000108.9I180 Y183 F184 V187 F310 R316 L317I180-I313 HydrophobicContact CG2-CD1 3.69Å; Y183-I313 HydrophobicContact CD1-CB 4.43Å; Y183-I313 HydrophobicContact CD1-CG2 3.71Å; Y183-I313 HydrophobicContact CE1-CB 4.48Å; Y183-I313 HydrophobicContact CE1-CG2 3.8Å; F184-I313 HydrophobicContact CB-CD1 3.96Å; F184-I313 HydrophobicContact CB-CG1 4.5Å; F184-I313 HydrophobicContact CD2-CD1 4.35Å; F184-I313 HydrophobicContact CD2-CG1 4.02Å; F184-I313 HydrophobicContact CD2-CG2 4.27Å; V187-I313 HydrophobicContact CB-CG2 4.08Å; V187-I313 HydrophobicContact CG1-CG2 4.27Å; V187-I313 HydrophobicContact CG2-CG2 3.88Å; F310-I313 WeakPolarHBondContact O-CA 3.26Å; F310-I313 WeakPolarHBondContact O-CB 3.36Å; F310-I313 PolarHBondContact O-N 3.36Å; I313-R316 PolarHBondContact O-N 3.45Å; I313-L317 PolarHBondContact O-N 2.8Å; I313-L317 VanDerWaalsContact O-N 3.12Å
314L84.6Confident85.3Confident36 Ų3637.5 Ų37.519%0.18819%0.185CC..Hα-helixtrans-61.7-44.8173.3-166.867.5000111.7F310 D311 R312 R316 L317 T318F310-L314 HydrophobicContact CE1-CB 4.3Å; F310-L314 HydrophobicContact CE1-CD2 4.4Å; F310-L314 PolarHBondContact O-N 3.12Å; F310-L314 VanDerWaalsContact O-N 3.1Å; D311-L314 PolarHBondContact O-N 3.3Å; R312-L314 VanDerWaalsContact C-N 3.34Å; L314-R316 VanDerWaalsContact C-N 3.33Å; L314-R316 PolarHBondContact O-N 3.33Å; L314-L317 WeakPolarHBondContact O-CB 3.18Å; L314-L317 PolarHBondContact O-N 3.4Å; L314-L317 VanDerWaalsContact O-N 3.09Å; L314-T318 PolarHBondContact O-N 2.71Å; L314-T318 PolarHBondContact O-OG1 2.99Å
315I82.3Confident85.3Confident98 Ų9840.4 Ų40.450%0.50319%0.191SC..Hα-helixtrans-58.2-41.5174.5-72162.5000111.7D311 R312 L317 T318 E319D311-I315 WeakPolarHBondContact O-CD1 3.45Å; D311-I315 VanDerWaalsContact O-CG1 3.24Å; D311-I315 WeakPolarHBondContact O-CG1 3.16Å; D311-I315 PolarHBondContact O-N 2.91Å; R312-I315 PolarHBondContact O-N 3.48Å; I315-L317 VanDerWaalsContact C-N 3.31Å; I315-L317 PolarHBondContact O-N 2.88Å; I315-T318 PolarHBondContact O-N 2.84Å; I315-E319 HydrophobicContact CG2-CG 4.46Å; I315-E319 WeakPolarHBondContact O-CG 3.31Å; I315-E319 PolarHBondContact O-N 2.81Å
316R82.6Confident85.2Confident110 Ų11042.3 Ų42.342%0.41520%0.2SC..Hα-helixtrans-62-37.3175.1-72.1-52.3-159.4-172.11.6112.8R312 I313 L314 E319 A320R312-R316 PolarHBondContact O-N 3.22Å; I313-R316 PolarHBondContact O-N 3.45Å; L314-R316 VanDerWaalsContact C-N 3.33Å; L314-R316 PolarHBondContact O-N 3.33Å; R316-E319 WeakPolarHBondContact CD-OE2 3.07Å; R316-E319 IonicContact CZ-OE2 2.75Å; R316-E319 IonicContact NE-OE2 3.59Å; R316-E319 IonicContact NH1-OE1 2.74Å; R316-E319 IonicContact NH1-OE2 3.36Å; R316-E319 PolarHBondContact NH1-OE2 3.37Å; R316-E319 PolarHBondContact O-N 3.43Å; R316-A320 WeakPolarHBondContact O-CB 3.19Å; R316-A320 PolarHBondContact O-N 3.18Å
317L86.2Confident85.1Confident2 Ų242.3 Ų42.31%0.0120%0.2CC..Hα-helixtrans-66.1-41175.4-172.361.1000111.2V187 L190 V246 C249 E250 I313 L314 I315 R321V187-L317 HydrophobicContact CG1-CB 4.26Å; V187-L317 HydrophobicContact CG1-CD1 4.39Å; V187-L317 HydrophobicContact CG2-CB 4.47Å; V187-L317 HydrophobicContact CG2-CD1 4.38Å; V187-L317 HydrophobicContact CG2-CD2 4.32Å; L190-L317 HydrophobicContact CD1-CD1 3.75Å; V246-L317 HydrophobicContact CB-CD1 4.43Å; V246-L317 HydrophobicContact CG1-CD1 3.96Å; V246-L317 HydrophobicContact CG1-CG 4.07Å; V246-L317 HydrophobicContact CG2-CD1 4.06Å; C249-L317 HydrophobicContact CB-CD2 4.01Å; E250-L317 HydrophobicContact CG-CD2 3.78Å; E250-L317 HydrophobicContact CG-CG 4.41Å; I313-L317 PolarHBondContact O-N 2.8Å; I313-L317 VanDerWaalsContact O-N 3.12Å; L314-L317 WeakPolarHBondContact O-CB 3.18Å; L314-L317 PolarHBondContact O-N 3.4Å; L314-L317 VanDerWaalsContact O-N 3.09Å; I315-L317 VanDerWaalsContact C-N 3.31Å; I315-L317 PolarHBondContact O-N 2.88Å; L317-R321 WeakPolarHBondContact O-CB 3.33Å; L317-R321 PolarHBondContact O-N 2.91Å; L317-R321 VanDerWaalsContact O-N 3.07Å
318T83.4Confident85Confident42 Ų4244.2 Ų44.226%0.25821%0.206SC..Hα-helixtrans-65.1-43.6173.2-47.30000112.3L314 I315 A320 R321 T322L314-T318 PolarHBondContact O-N 2.71Å; L314-T318 PolarHBondContact O-OG1 2.99Å; I315-T318 PolarHBondContact O-N 2.84Å; T318-A320 PolarHBondContact O-N 3.43Å; T318-R321 VanDerWaalsContact O-CB 3.3Å; T318-R321 WeakPolarHBondContact O-CB 3.18Å; T318-R321 PolarHBondContact O-N 3.4Å; T318-R321 VanDerWaalsContact O-N 3.15Å; T318-T322 PolarHBondContact O-N 3.22Å
319E84.2Confident85Confident80 Ų8048 Ų4837%0.37422%0.216SC..Hα-helixtrans-55.4-51.8174.5-77.9-177.5150.700111I315 R316 R321 T322 E323I315-E319 HydrophobicContact CG2-CG 4.46Å; I315-E319 WeakPolarHBondContact O-CG 3.31Å; I315-E319 PolarHBondContact O-N 2.81Å; R316-E319 WeakPolarHBondContact CD-OE2 3.07Å; R316-E319 IonicContact CZ-OE2 2.75Å; R316-E319 IonicContact NE-OE2 3.59Å; R316-E319 IonicContact NH1-OE1 2.74Å; R316-E319 IonicContact NH1-OE2 3.36Å; R316-E319 PolarHBondContact NH1-OE2 3.37Å; R316-E319 PolarHBondContact O-N 3.43Å; E319-R321 VanDerWaalsContact C-N 3.26Å; E319-R321 PolarHBondContact O-N 2.83Å; E319-T322 PolarHBondContact O-N 3.5Å; E319-T322 PolarHBondContact O-OG1 3.41Å; E319-E323 PolarHBondContact O-N 2.94Å
320A85.6Confident84.7Confident5 Ų547.7 Ų47.74%0.04121%0.213CC..Hα-helixtrans-56.1-40.2176.500000112.4Y191 L194 W242 R316 T318 T322 E323 L324Y191-A320 HydrophobicContact CD2-CB 3.98Å; L194-A320 HydrophobicContact CD2-CB 3.77Å; L194-A320 WeakPolarHBondContact CD2-O 2.94Å; W242-A320 HydrophobicContact CH2-CB 4.13Å; W242-A320 HydrophobicContact CZ2-CB 4.22Å; R316-A320 WeakPolarHBondContact O-CB 3.19Å; R316-A320 PolarHBondContact O-N 3.18Å; T318-A320 PolarHBondContact O-N 3.43Å; A320-T322 VanDerWaalsContact C-N 3.34Å; A320-T322 PolarHBondContact O-N 3.36Å; A320-E323 PolarHBondContact O-N 3.24Å; A320-L324 PolarHBondContact O-N 3.49Å; A320-L324 VanDerWaalsContact O-N 3.14Å
321R86.8Confident84.5Confident15 Ų1547.7 Ų47.76%0.05721%0.213CC..Hα-helixtrans-62.1-39.3175.6-166.2179.476.1155.66.8111.9L243 V246 E250 L317 T318 E319 R325 D558 E559L243-R321 HydrophobicContact CD2-CG 4.21Å; V246-R321 HydrophobicContact CG1-CG 4.49Å; E250-R321 WeakPolarHBondContact OE1-CD 3.28Å; E250-R321 IonicContact OE1-CZ 2.69Å; E250-R321 IonicContact OE1-NE 3.79Å; E250-R321 IonicContact OE1-NH1 2.7Å; E250-R321 PolarHBondContact OE1-NH1 3.05Å; E250-R321 IonicContact OE2-NH1 3.96Å; L317-R321 WeakPolarHBondContact O-CB 3.33Å; L317-R321 PolarHBondContact O-N 2.91Å; L317-R321 VanDerWaalsContact O-N 3.07Å; T318-R321 VanDerWaalsContact O-CB 3.3Å; T318-R321 WeakPolarHBondContact O-CB 3.18Å; T318-R321 PolarHBondContact O-N 3.4Å; T318-R321 VanDerWaalsContact O-N 3.15Å; E319-R321 VanDerWaalsContact C-N 3.26Å; E319-R321 PolarHBondContact O-N 2.83Å; R321-R325 WeakPolarHBondContact O-CG 3.06Å; R321-R325 PolarHBondContact O-N 3.29Å; R321-R325 VanDerWaalsContact O-N 3.16Å; R321-D558 IonicContact CZ-OD1 2.96Å; R321-D558 IonicContact CZ-OD2 2.66Å; R321-D558 IonicContact NH1-OD1 3.06Å; R321-D558 IonicContact NH1-OD2 3.58Å; R321-D558 PolarHBondContact NH1-OD2 3.07Å; R321-D558 IonicContact NH2-OD1 2.66Å; R321-D558 PolarHBondContact NH2-OD1 3.17Å; R321-D558 IonicContact NH2-OD2 2.73Å; R321-D558 PolarHBondContact NH2-OD2 2.95Å; R321-E559 IonicContact CZ-OE1 3.52Å; R321-E559 IonicContact NH2-OE1 3.45Å; R321-E559 PolarHBondContact NH2-OE1 3.01Å
322T85Confident84.4Confident60 Ų6047.4 Ų47.437%0.36821%0.211SC..Hα-helixtrans-71.1-36.417565.50000113.2T318 E319 A320 L324 R325 Q326T318-T322 PolarHBondContact O-N 3.22Å; E319-T322 PolarHBondContact O-N 3.5Å; E319-T322 PolarHBondContact O-OG1 3.41Å; A320-T322 VanDerWaalsContact C-N 3.34Å; A320-T322 PolarHBondContact O-N 3.36Å; T322-L324 PolarHBondContact O-N 3.05Å; T322-R325 CarbonylContact O-C 3.59Å; T322-R325 PolarHBondContact O-N 3.22Å; T322-R325 VanDerWaalsContact O-N 3.13Å; T322-Q326 PolarHBondContact O-N 2.86Å
323E86Confident84.2Confident43 Ų4346 Ų4620%0.20121%0.207CC..Hα-helixtrans-60.8-44.7176.5-157.6-171.9163.500110.3L194 M198 E319 A320 Q326 Y327 M581L194-E323 HydrophobicContact CD2-CB 4.25Å; M198-E323 HydrophobicContact CE-CB 4Å; M198-E323 HydrophobicContact CE-CG 3.59Å; M198-E323 HydrophobicContact SD-CG 4.4Å; E319-E323 PolarHBondContact O-N 2.94Å; A320-E323 PolarHBondContact O-N 3.24Å; E323-Q326 PolarHBondContact O-N 3.45Å; E323-Y327 WeakPolarHBondContact O-CB 3.37Å; E323-Y327 PolarHBondContact O-N 2.95Å; E323-M581 HydrophobicContact CG-CE 4.37Å
324L89.3Confident83.8Confident5 Ų545.9 Ų45.93%0.02621%0.206CC..Hα-helixtrans-63.7-41.6172.7-169.266.8000112.5L194 I197 C239 W242 L243 A320 T322 Q326 Y327 W328L194-L324 HydrophobicContact CD1-CB 3.74Å; L194-L324 HydrophobicContact CD1-CD1 3.73Å; L194-L324 HydrophobicContact CD1-CG 4.2Å; I197-L324 HydrophobicContact CG2-CD1 4.14Å; C239-L324 HydrophobicContact CB-CD2 4.25Å; W242-L324 HydrophobicContact CD2-CD2 4.22Å; W242-L324 HydrophobicContact CE3-CB 4.49Å; W242-L324 HydrophobicContact CE3-CD2 3.32Å; W242-L324 HydrophobicContact CE3-CG 4.46Å; W242-L324 HydrophobicContact CH2-CB 4.47Å; W242-L324 HydrophobicContact CZ3-CB 3.95Å; W242-L324 HydrophobicContact CZ3-CD2 3.6Å; W242-L324 HydrophobicContact CZ3-CG 4.39Å; L243-L324 HydrophobicContact CD1-CD2 4.35Å; L243-L324 HydrophobicContact CD2-CD2 4.2Å; L243-L324 HydrophobicContact CG-CD2 3.96Å; A320-L324 PolarHBondContact O-N 3.49Å; A320-L324 VanDerWaalsContact O-N 3.14Å; T322-L324 PolarHBondContact O-N 3.05Å; L324-Q326 VanDerWaalsContact C-N 3.27Å; L324-Q326 PolarHBondContact O-N 2.84Å; L324-Y327 HydrophobicContact CD1-CD1 3.84Å; L324-Y327 HydrophobicContact CD1-CE1 4.42Å; L324-Y327 PolarHBondContact O-N 3.35Å; L324-W328 WeakPolarHBondContact O-CB 3.41Å; L324-W328 PolarHBondContact O-N 2.92Å
325R85.2Confident83.4Confident108 Ų10844.2 Ų44.241%0.40820%0.197SC..Hα-helixtrans-63-29.1176.8-74.5173.2176.5175.31.1112.1R321 T322 R329 D558 E559R321-R325 WeakPolarHBondContact O-CG 3.06Å; R321-R325 PolarHBondContact O-N 3.29Å; R321-R325 VanDerWaalsContact O-N 3.16Å; T322-R325 CarbonylContact O-C 3.59Å; T322-R325 PolarHBondContact O-N 3.22Å; T322-R325 VanDerWaalsContact O-N 3.13Å; R325-R329 WeakPolarHBondContact O-CG 3.24Å; R325-R329 PolarHBondContact O-NE 2.87Å; R325-D558 IonicContact NH2-OD2 2.73Å; R325-E559 IonicContact NH1-OE1 3.58Å; R325-E559 PolarHBondContact NH1-OE1 3.45Å
326Q83.4Confident83.2Confident43 Ų4345 Ų4520%0.20119%0.194CC..Hα-helixtrans-76.5-49.2171.5-174.8176.7-3.600111.6T322 E323 L324 W328 R329 E330 T577 D578 M581T322-Q326 PolarHBondContact O-N 2.86Å; E323-Q326 PolarHBondContact O-N 3.45Å; L324-Q326 VanDerWaalsContact C-N 3.27Å; L324-Q326 PolarHBondContact O-N 2.84Å; Q326-W328 VanDerWaalsContact C-N 3.35Å; Q326-W328 PolarHBondContact O-N 2.95Å; Q326-R329 VanDerWaalsContact CA-NH2 3.34Å; Q326-R329 WeakPolarHBondContact O-CB 3.44Å; Q326-R329 PolarHBondContact O-N 3.34Å; Q326-R329 VanDerWaalsContact O-N 3.12Å; Q326-E330 PolarHBondContact O-N 2.9Å; Q326-T577 PolarHBondContact NE2-O 3.28Å; Q326-D578 PolarHBondContact NE2-OD1 2.78Å; Q326-D578 VanDerWaalsContact NE2-OD1 3.13Å; Q326-M581 HydrophobicContact CB-CE 3.99Å; Q326-M581 HydrophobicContact CG-CE 4.01Å; Q326-M581 HydrophobicContact CG-CG 4.45Å
327Y87Confident83Confident0 Ų039.9 Ų39.90%018%0.175CC..Hα-helixtrans-53.8-46.8177.2170.9-102.2000113.2I197 M198 C201 L235 E323 L324 R329 E330 Y331 Y584 F585I197-Y327 HydrophobicContact CG2-CE1 4.17Å; I197-Y327 PolarHBondContact O-OH 2.72Å; M198-Y327 HydrophobicContact CB-CD2 4.43Å; M198-Y327 HydrophobicContact CB-CE2 4.16Å; M198-Y327 HydrophobicContact CE-CG 4.27Å; M198-Y327 HydrophobicContact CG-CD1 4.3Å; M198-Y327 HydrophobicContact CG-CD2 3.89Å; M198-Y327 HydrophobicContact CG-CE1 4.39Å; M198-Y327 HydrophobicContact CG-CE2 4.02Å; M198-Y327 HydrophobicContact CG-CG 4.01Å; C201-Y327 PolarHBondContact SG-OH 3.21Å; L235-Y327 HydrophobicContact CD2-CE1 4.28Å; E323-Y327 WeakPolarHBondContact O-CB 3.37Å; E323-Y327 PolarHBondContact O-N 2.95Å; L324-Y327 HydrophobicContact CD1-CD1 3.84Å; L324-Y327 HydrophobicContact CD1-CE1 4.42Å; L324-Y327 PolarHBondContact O-N 3.35Å; Y327-R329 VanDerWaalsContact C-N 3.34Å; Y327-R329 PolarHBondContact O-N 2.82Å; Y327-E330 PolarHBondContact O-N 3.22Å; Y327-Y331 PolarHBondContact O-N 3.03Å; Y327-Y584 HydrophobicContact CD2-CD2 4.44Å; Y327-F585 AromaticContact CD2-CE1 3.81Å; Y327-F585 HydrophobicContact CD2-CE1 3.81Å; Y327-F585 HydrophobicContact CD2-CE2 4.49Å; Y327-F585 AromaticContact CD2-CZ 3.5Å; Y327-F585 HydrophobicContact CD2-CZ 3.5Å; Y327-F585 AromaticContact CE2-CE1 3.68Å; Y327-F585 HydrophobicContact CE2-CE1 3.68Å; Y327-F585 AromaticContact CE2-CZ 3.87Å; Y327-F585 HydrophobicContact CE2-CZ 3.87Å; Y327-F585 HydrophobicContact CG-CZ 4.33Å
328W86.5Confident82.5Confident59 Ų5940.2 Ų40.222%0.22318%0.177CC..Hα-helixtrans-65.4-34.5179.1-174.4-105.5000112.9M232 L235 R236 L324 Q326 Y331 M332M232-W328 HydrophobicContact CG-CH2 4.46Å; L235-W328 HydrophobicContact CB-CZ3 4.21Å; L235-W328 HydrophobicContact CD2-CE3 4.5Å; L235-W328 HydrophobicContact CD2-CZ3 4.06Å; L235-W328 HydrophobicContact CG-CZ3 3.95Å; R236-W328 HydrophobicContact CB-CH2 3.71Å; R236-W328 HydrophobicContact CB-CZ2 4.24Å; R236-W328 HydrophobicContact CB-CZ3 4.5Å; R236-W328 HydrophobicContact CG-CH2 4.21Å; R236-W328 HydrophobicContact CG-CZ2 4.23Å; L324-W328 WeakPolarHBondContact O-CB 3.41Å; L324-W328 PolarHBondContact O-N 2.92Å; Q326-W328 VanDerWaalsContact C-N 3.35Å; Q326-W328 PolarHBondContact O-N 2.95Å; W328-Y331 HydrophobicContact CE3-CD1 4.2Å; W328-Y331 HydrophobicContact CH2-CD1 4.31Å; W328-Y331 HydrophobicContact CH2-CE1 4.43Å; W328-Y331 AromaticContact CZ3-CD1 3.88Å; W328-Y331 HydrophobicContact CZ3-CD1 3.88Å; W328-Y331 HydrophobicContact CZ3-CE1 4.21Å; W328-M332 HydrophobicContact CD2-CG 4.28Å; W328-M332 HydrophobicContact CH2-SD 4.2Å; W328-M332 HydrophobicContact CZ2-CG 3.97Å; W328-M332 HydrophobicContact CZ2-SD 3.75Å; W328-M332 WeakPolarHBondContact O-CB 3.29Å; W328-M332 WeakPolarHBondContact O-CG 3.21Å; W328-M332 PolarHBondContact O-N 3.1Å
329R80.5Confident82.2Confident147 Ų14740.5 Ų40.556%0.55518%0.175SC*.Hα-helixtrans-63.5-47.6172.6-76178-72.6150.3-4.1110.9R325 Q326 Y327 Y331 M332 K333R325-R329 WeakPolarHBondContact O-CG 3.24Å; R325-R329 PolarHBondContact O-NE 2.87Å; Q326-R329 VanDerWaalsContact CA-NH2 3.34Å; Q326-R329 WeakPolarHBondContact O-CB 3.44Å; Q326-R329 PolarHBondContact O-N 3.34Å; Q326-R329 VanDerWaalsContact O-N 3.12Å; Y327-R329 VanDerWaalsContact C-N 3.34Å; Y327-R329 PolarHBondContact O-N 2.82Å; R329-Y331 PolarHBondContact O-N 2.82Å; R329-M332 PolarHBondContact O-N 3.22Å; R329-K333 WeakPolarHBondContact O-CG 3.19Å; R329-K333 PolarHBondContact O-N 3.09Å
330E78.2Confident82Confident11 Ų1136.9 Ų36.95%0.05116%0.158CC..Hα-helixtrans-67-33.7-179.7-72.9-46.4114.100113.9Q326 Y327 K333 R334 F585Q326-E330 PolarHBondContact O-N 2.9Å; Y327-E330 PolarHBondContact O-N 3.22Å; E330-K333 WeakPolarHBondContact OE1-CD 3.45Å; E330-K333 VanDerWaalsContact OE1-CE 3.22Å; E330-K333 WeakPolarHBondContact OE1-CE 3.45Å; E330-K333 IonicContact OE1-NZ 3.98Å; E330-K333 PolarHBondContact OE1-NZ 3.24Å; E330-K333 IonicContact OE2-NZ 3.58Å; E330-R334 PolarHBondContact O-N 2.71Å; E330-R334 PolarHBondContact O-NH1 3.35Å; E330-R334 IonicContact OE2-CZ 2.71Å; E330-R334 IonicContact OE2-NH1 3.35Å; E330-R334 PolarHBondContact OE2-NH1 3.33Å; E330-R334 IonicContact OE2-NH2 2.75Å; E330-F585 HydrophobicContact CB-CD2 4.32Å; E330-F585 HydrophobicContact CB-CE1 4.44Å; E330-F585 HydrophobicContact CB-CE2 3.4Å; E330-F585 VanDerWaalsContact CB-CE2 3.4Å; E330-F585 HydrophobicContact CB-CZ 3.47Å; E330-F585 VanDerWaalsContact CB-CZ 3.47Å; E330-F585 HydrophobicContact CG-CE2 4.26Å
331Y84Confident81.8Confident0 Ų037.2 Ų37.20%016%0.159CC..Hα-helixtrans-63.8-53.4169.7-177.9-107000111.1F226 Y227 M232 L235 Y327 W328 R329 K333 R334 V335 F585F226-Y331 HydrophobicContact CE1-CD2 4.13Å; F226-Y331 AromaticContact CE1-CE2 3.77Å; F226-Y331 HydrophobicContact CE1-CE2 3.77Å; F226-Y331 AromaticContact CE2-CE2 3.95Å; F226-Y331 HydrophobicContact CE2-CE2 3.95Å; F226-Y331 AromaticContact CZ-CD2 3.82Å; F226-Y331 HydrophobicContact CZ-CD2 3.82Å; F226-Y331 AromaticContact CZ-CE2 3.4Å; F226-Y331 HydrophobicContact CZ-CE2 3.4Å; F226-Y331 VanDerWaalsContact CZ-CE2 3.4Å; F226-Y331 PolarHBondContact O-OH 2.91Å; Y227-Y331 HydrophobicContact CD1-CD2 4.23Å; Y227-Y331 AromaticContact CD1-CE2 3.73Å; Y227-Y331 HydrophobicContact CD1-CE2 3.73Å; Y227-Y331 AromaticContact CE1-CD2 3.89Å; Y227-Y331 HydrophobicContact CE1-CD2 3.89Å; Y227-Y331 AromaticContact CE1-CE2 3.76Å; Y227-Y331 HydrophobicContact CE1-CE2 3.76Å; M232-Y331 WeakPolarHBondContact CA-OH 3.25Å; M232-Y331 HydrophobicContact CB-CE1 4.02Å; M232-Y331 HydrophobicContact CG-CE1 3.99Å; M232-Y331 PolarHBondContact N-OH 2.82Å; L235-Y331 HydrophobicContact CD2-CD1 3.92Å; L235-Y331 HydrophobicContact CD2-CD2 4.03Å; L235-Y331 HydrophobicContact CD2-CE1 3.89Å; L235-Y331 HydrophobicContact CD2-CE2 4.03Å; L235-Y331 HydrophobicContact CD2-CG 3.99Å; Y327-Y331 PolarHBondContact O-N 3.03Å; W328-Y331 HydrophobicContact CE3-CD1 4.2Å; W328-Y331 HydrophobicContact CH2-CD1 4.31Å; W328-Y331 HydrophobicContact CH2-CE1 4.43Å; W328-Y331 AromaticContact CZ3-CD1 3.88Å; W328-Y331 HydrophobicContact CZ3-CD1 3.88Å; W328-Y331 HydrophobicContact CZ3-CE1 4.21Å; R329-Y331 PolarHBondContact O-N 2.82Å; Y331-K333 VanDerWaalsContact C-N 3.31Å; Y331-K333 PolarHBondContact O-N 3.11Å; Y331-R334 PolarHBondContact O-N 2.75Å; Y331-V335 HydrophobicContact CD1-CG2 3.97Å; Y331-V335 HydrophobicContact CE1-CG2 3.57Å; Y331-V335 HydrophobicContact CE2-CG2 4.16Å; Y331-V335 HydrophobicContact CG-CG2 4.44Å; Y331-V335 WeakPolarHBondContact O-CG2 3.47Å; Y331-V335 PolarHBondContact O-N 2.76Å; Y331-F585 HydrophobicContact CD2-CE1 4.49Å
332M81.9Confident81.3Confident36 Ų3638.5 Ų38.518%0.17717%0.167CC..Hα-helixtrans-65.5-28.9-177-72-58.9-60.500113.7M232 W328 R329 R336M232-M332 HydrophobicContact CG-SD 4.02Å; W328-M332 HydrophobicContact CD2-CG 4.28Å; W328-M332 HydrophobicContact CH2-SD 4.2Å; W328-M332 HydrophobicContact CZ2-CG 3.97Å; W328-M332 HydrophobicContact CZ2-SD 3.75Å; W328-M332 WeakPolarHBondContact O-CB 3.29Å; W328-M332 WeakPolarHBondContact O-CG 3.21Å; W328-M332 PolarHBondContact O-N 3.1Å; R329-M332 PolarHBondContact O-N 3.22Å; M332-R336 WeakPolarHBondContact O-CG 3.41Å; M332-R336 PolarHBondContact O-N 3.31Å
333K77.9Confident81.1Confident55 Ų5538.8 Ų38.824%0.23917%0.166CC..Hα-helixtrans-57.8-50.3168.1-76.7-179.7-176.8172.30111.3R329 E330 Y331 R336 V337 V514 N515 I518R329-K333 WeakPolarHBondContact O-CG 3.19Å; R329-K333 PolarHBondContact O-N 3.09Å; E330-K333 WeakPolarHBondContact OE1-CD 3.45Å; E330-K333 VanDerWaalsContact OE1-CE 3.22Å; E330-K333 WeakPolarHBondContact OE1-CE 3.45Å; E330-K333 IonicContact OE1-NZ 3.98Å; E330-K333 PolarHBondContact OE1-NZ 3.24Å; E330-K333 IonicContact OE2-NZ 3.58Å; Y331-K333 VanDerWaalsContact C-N 3.31Å; Y331-K333 PolarHBondContact O-N 3.11Å; K333-R336 PolarHBondContact O-N 3.05Å; K333-V337 WeakPolarHBondContact O-CG2 3.46Å; K333-V337 PolarHBondContact O-N 2.8Å; K333-V337 VanDerWaalsContact O-N 3.13Å; K333-V514 HydrophobicContact CB-CG1 3.97Å; K333-N515 PolarHBondContact NZ-OD1 3.47Å; K333-I518 HydrophobicContact CB-CD1 3.66Å; K333-I518 HydrophobicContact CD-CD1 3.99Å; K333-I518 HydrophobicContact CG-CD1 3.57Å
334R78.7Confident81.1Confident9 Ų936.7 Ų36.73%0.03416%0.157CC..Hα-helixtrans-67.2-39.5-178.7-71.5166178.672.71112.1Y227 E330 Y331 V337 T338 V514 I588Y227-R334 HydrophobicContact CD1-CB 4.1Å; Y227-R334 HydrophobicContact CE1-CB 3.54Å; Y227-R334 HydrophobicContact CE2-CB 4.31Å; Y227-R334 WeakPolarHBondContact OH-CD 3.32Å; E330-R334 PolarHBondContact O-N 2.71Å; E330-R334 PolarHBondContact O-NH1 3.35Å; E330-R334 IonicContact OE2-CZ 2.71Å; E330-R334 IonicContact OE2-NH1 3.35Å; E330-R334 PolarHBondContact OE2-NH1 3.33Å; E330-R334 IonicContact OE2-NH2 2.75Å; Y331-R334 PolarHBondContact O-N 2.75Å; R334-V337 PolarHBondContact O-N 2.91Å; R334-T338 PolarHBondContact O-N 3.25Å; R334-T338 PolarHBondContact O-OG1 3.02Å; R334-V514 HydrophobicContact CG-CG1 4.31Å; R334-V514 HydrophobicContact CG-CG2 3.95Å; R334-I588 HydrophobicContact CB-CD1 4.3Å; R334-I588 HydrophobicContact CG-CD1 4.3Å
335V77.8Confident80.9Confident1 Ų136.9 Ų36.91%0.00616%0.157CC..Hα-helixtrans-55.7-54171.1173.80000111.1Y227 Y331 V337 T338 F339Y227-V335 HydrophobicContact CD1-CG2 3.79Å; Y331-V335 HydrophobicContact CD1-CG2 3.97Å; Y331-V335 HydrophobicContact CE1-CG2 3.57Å; Y331-V335 HydrophobicContact CE2-CG2 4.16Å; Y331-V335 HydrophobicContact CG-CG2 4.44Å; Y331-V335 WeakPolarHBondContact O-CG2 3.47Å; Y331-V335 PolarHBondContact O-N 2.76Å; V335-V337 VanDerWaalsContact C-N 3.34Å; V335-V337 PolarHBondContact O-N 3.1Å; V335-T338 PolarHBondContact O-N 2.91Å; V335-T338 VanDerWaalsContact O-N 3.14Å; V335-F339 HydrophobicContact CG1-CD2 3.75Å; V335-F339 HydrophobicContact CG1-CE2 3.72Å; V335-F339 WeakPolarHBondContact O-CD2 3.25Å; V335-F339 PolarHBondContact O-N 3.39Å
336R77.2Confident80.8Confident114 Ų11434.5 Ų34.543%0.4315%0.153SC..Hα-helixtrans-59-40.9-179.4-74.7174.5176.4-177-2.1113.5M332 K333 F339 L340 V523M332-R336 WeakPolarHBondContact O-CG 3.41Å; M332-R336 PolarHBondContact O-N 3.31Å; K333-R336 PolarHBondContact O-N 3.05Å; R336-F339 PolarHBondContact O-N 2.63Å; R336-L340 PolarHBondContact O-N 2.83Å; R336-V523 HydrophobicContact CB-CG1 3.84Å
337V77.3Confident80.9Confident2 Ų233.9 Ų33.91%0.01215%0.15CC..Hα-helixtrans-66.8-39.8177.1169.60000111.4K333 R334 V335 F339 L340 I341 V514 L517 I518 I588K333-V337 WeakPolarHBondContact O-CG2 3.46Å; K333-V337 PolarHBondContact O-N 2.8Å; K333-V337 VanDerWaalsContact O-N 3.13Å; R334-V337 PolarHBondContact O-N 2.91Å; V335-V337 VanDerWaalsContact C-N 3.34Å; V335-V337 PolarHBondContact O-N 3.1Å; V337-F339 VanDerWaalsContact C-N 3.3Å; V337-F339 PolarHBondContact O-N 3.11Å; V337-L340 PolarHBondContact O-N 3.37Å; V337-I341 HydrophobicContact CG1-CD1 4.07Å; V337-I341 WeakPolarHBondContact O-CG1 3.32Å; V337-I341 PolarHBondContact O-N 2.93Å; V337-I341 VanDerWaalsContact O-N 3.11Å; V337-V514 HydrophobicContact CG2-CG1 4.11Å; V337-L517 HydrophobicContact CB-CD2 4.16Å; V337-L517 HydrophobicContact CG1-CD2 3.32Å; V337-L517 HydrophobicContact CG2-CD2 3.7Å; V337-I518 HydrophobicContact CG2-CD1 4.38Å; V337-I518 HydrophobicContact CG2-CG1 4.16Å; V337-I588 HydrophobicContact CB-CD1 3.87Å; V337-I588 HydrophobicContact CG1-CD1 3.56Å
338T76.3Confident81.1Confident9 Ų934.2 Ų34.26%0.05515%0.151CC..Hα-helixtrans-65-36.2177.4-44.50000111.3L223 R334 V335 D342L223-T338 HydrophobicContact CB-CG2 3.9Å; L223-T338 HydrophobicContact CD2-CG2 3.81Å; L223-T338 HydrophobicContact CG-CG2 3.85Å; R334-T338 PolarHBondContact O-N 3.25Å; R334-T338 PolarHBondContact O-OG1 3.02Å; V335-T338 PolarHBondContact O-N 2.91Å; V335-T338 VanDerWaalsContact O-N 3.14Å; T338-D342 PolarHBondContact O-N 2.98Å
339F77.4Confident81.1Confident48 Ų4835 Ų3521%0.21115%0.154CC..Hα-helixtrans-71.1-30.8171.4-81.4-68.3000114.3L223 C229 V335 R336 V337 I341 D342 D343L223-F339 HydrophobicContact CD2-CD1 4.17Å; L223-F339 HydrophobicContact CD2-CE1 4.08Å; L223-F339 HydrophobicContact CD2-CZ 4.4Å; C229-F339 VanDerWaalsContact SG-CZ 3.51Å; V335-F339 HydrophobicContact CG1-CD2 3.75Å; V335-F339 HydrophobicContact CG1-CE2 3.72Å; V335-F339 WeakPolarHBondContact O-CD2 3.25Å; V335-F339 PolarHBondContact O-N 3.39Å; R336-F339 PolarHBondContact O-N 2.63Å; V337-F339 VanDerWaalsContact C-N 3.3Å; V337-F339 PolarHBondContact O-N 3.11Å; F339-I341 VanDerWaalsContact C-N 3.34Å; F339-D342 PolarHBondContact O-N 2.93Å; F339-D343 WeakPolarHBondContact O-CB 3.26Å; F339-D343 PolarHBondContact O-N 3Å
340L80.4Confident81.4Confident5 Ų534.2 Ų34.23%0.02616%0.157CC..Hα-helixtrans-65.5-40173.5-174.452.8000111.8R336 V337 D342 D343 V344 I476 F480 L522 V523 I526R336-L340 PolarHBondContact O-N 2.83Å; V337-L340 PolarHBondContact O-N 3.37Å; L340-D342 VanDerWaalsContact C-N 3.33Å; L340-D343 PolarHBondContact O-N 2.95Å; L340-V344 HydrophobicContact CD1-CG2 3.94Å; L340-V344 HydrophobicContact CG-CG2 4.41Å; L340-V344 VanDerWaalsContact O-CG2 3.27Å; L340-V344 WeakPolarHBondContact O-CG2 3.43Å; L340-V344 PolarHBondContact O-N 2.89Å; L340-I476 HydrophobicContact CD1-CG2 4.35Å; L340-I476 HydrophobicContact CD2-CG2 4.32Å; L340-I476 HydrophobicContact CG-CG2 4.45Å; L340-F480 HydrophobicContact CB-CZ 4.27Å; L340-F480 HydrophobicContact CD2-CE2 4.07Å; L340-F480 HydrophobicContact CD2-CZ 3.68Å; L340-F480 HydrophobicContact CG-CE2 3.98Å; L340-F480 HydrophobicContact CG-CZ 3.74Å; L340-L522 HydrophobicContact CD2-CB 4.06Å; L340-V523 HydrophobicContact CD2-CG2 4.25Å; L340-I526 HydrophobicContact CB-CD1 3.48Å; L340-I526 VanDerWaalsContact CB-CD1 3.48Å; L340-I526 HydrophobicContact CD1-CD1 3.71Å; L340-I526 HydrophobicContact CD1-CG1 4.46Å; L340-I526 HydrophobicContact CD2-CD1 4.17Å; L340-I526 HydrophobicContact CG-CD1 3.94Å
341I80.4Confident82Confident11 Ų1134.5 Ų34.56%0.05616%0.158CC..Hα-helixtrans-62.1-44.5178.4-69.8166.6000109.9V337 F339 E345 F480 I588 F590 P591 W597V337-I341 HydrophobicContact CG1-CD1 4.07Å; V337-I341 WeakPolarHBondContact O-CG1 3.32Å; V337-I341 PolarHBondContact O-N 2.93Å; V337-I341 VanDerWaalsContact O-N 3.11Å; F339-I341 VanDerWaalsContact C-N 3.34Å; I341-E345 WeakPolarHBondContact O-CB 3.38Å; I341-E345 PolarHBondContact O-N 3.32Å; I341-F480 HydrophobicContact CG1-CE1 4.02Å; I341-F480 HydrophobicContact CG1-CZ 3.81Å; I341-I588 HydrophobicContact CD1-CG2 3.57Å; I341-F590 HydrophobicContact CD1-CD1 3.99Å; I341-F590 HydrophobicContact CD1-CE1 3.49Å; I341-F590 VanDerWaalsContact CD1-CE1 3.49Å; I341-F590 HydrophobicContact CD1-CE2 4.12Å; I341-F590 HydrophobicContact CD1-CZ 3.58Å; I341-F590 HydrophobicContact CG1-CD1 4.25Å; I341-F590 HydrophobicContact CG1-CE1 3.74Å; I341-F590 HydrophobicContact CG1-CZ 4.27Å; I341-P591 HydrophobicContact CG2-CG 3.69Å; I341-W597 HydrophobicContact CG2-CH2 4.24Å
342D77.8Confident82.3Confident42 Ų4236.3 Ų36.323%0.22517%0.169CC..Hα-helixtrans-64.7-46.1175.3-175.850.3000112.6L223 T338 F339 L340 V344 E345 N346L223-D342 HydrophobicContact CD1-CB 3.89Å; L223-D342 HydrophobicContact CD2-CB 4.43Å; L223-D342 HydrophobicContact CG-CB 4.31Å; T338-D342 PolarHBondContact O-N 2.98Å; F339-D342 PolarHBondContact O-N 2.93Å; L340-D342 VanDerWaalsContact C-N 3.33Å; D342-V344 VanDerWaalsContact C-N 3.34Å; D342-V344 PolarHBondContact O-N 2.9Å; D342-E345 PolarHBondContact O-N 3.28Å; D342-N346 WeakPolarHBondContact O-CB 3.45Å; D342-N346 PolarHBondContact O-N 3.14Å; D342-N346 PolarHBondContact O-ND2 3.08Å; D342-N346 PolarHBondContact OD1-ND2 3.5Å
343D79.9Confident82.5Confident66 Ų6639.4 Ų39.435%0.35319%0.186SC..Hα-helixtrans-56.9-45.7176.7-177.356.7000112.4F339 L340 Q347 R469F339-D343 WeakPolarHBondContact O-CB 3.26Å; F339-D343 PolarHBondContact O-N 3Å; L340-D343 PolarHBondContact O-N 2.95Å; D343-Q347 WeakPolarHBondContact O-CB 3.33Å; D343-Q347 WeakPolarHBondContact O-CG 3.49Å; D343-Q347 PolarHBondContact O-N 3.02Å; D343-Q347 PolarHBondContact OD1-NE2 3.17Å; D343-Q347 PolarHBondContact OD2-NE2 2.83Å; D343-Q347 VanDerWaalsContact OD2-NE2 3.11Å; D343-R469 IonicContact OD2-NH2 3.74Å; D343-R469 PolarHBondContact OD2-NH2 3.26Å
344V85.4Confident83.2Confident0 Ų038.8 Ų38.80%019%0.186CC..Hα-helixtrans-74.4-34.1-178.4-179.20000111.7L340 D342 Y348 L473 I476 F480 W597 F601L340-V344 HydrophobicContact CD1-CG2 3.94Å; L340-V344 HydrophobicContact CG-CG2 4.41Å; L340-V344 VanDerWaalsContact O-CG2 3.27Å; L340-V344 WeakPolarHBondContact O-CG2 3.43Å; L340-V344 PolarHBondContact O-N 2.89Å; D342-V344 VanDerWaalsContact C-N 3.34Å; D342-V344 PolarHBondContact O-N 2.9Å; V344-Y348 WeakPolarHBondContact O-CB 3.12Å; V344-Y348 PolarHBondContact O-N 3.38Å; V344-L473 HydrophobicContact CG1-CD2 4.33Å; V344-L473 HydrophobicContact CG2-CD2 4.14Å; V344-I476 HydrophobicContact CG2-CG2 3.74Å; V344-F480 HydrophobicContact CG2-CE2 4.46Å; V344-W597 HydrophobicContact CB-CE3 4.17Å; V344-W597 HydrophobicContact CB-CH2 4.25Å; V344-W597 HydrophobicContact CB-CZ3 3.83Å; V344-W597 HydrophobicContact CG1-CD2 3.9Å; V344-W597 HydrophobicContact CG1-CE3 3.34Å; V344-W597 HydrophobicContact CG1-CH2 4.25Å; V344-W597 HydrophobicContact CG1-CZ3 3.53Å; V344-F601 HydrophobicContact CG1-CE2 3.91Å; V344-F601 HydrophobicContact CG1-CZ 4.16Å
345E85.6Confident83.7Confident8 Ų838.7 Ų38.74%0.03719%0.187CC..Hα-helixtrans-68.2-43.4174.8-163.6-176167.600111.9Y221 I341 D342 Q347 Y348 Y349 P591 W597Y221-E345 WeakPolarHBondContact CB-OE2 3.34Å; I341-E345 WeakPolarHBondContact O-CB 3.38Å; I341-E345 PolarHBondContact O-N 3.32Å; D342-E345 PolarHBondContact O-N 3.28Å; E345-Q347 PolarHBondContact O-N 2.85Å; E345-Y348 WeakPolarHBondContact O-CB 3.43Å; E345-Y348 PolarHBondContact O-N 2.85Å; E345-Y349 HydrophobicContact CG-CD2 4.24Å; E345-Y349 HydrophobicContact CG-CE2 3.57Å; E345-Y349 WeakPolarHBondContact O-CD2 3.4Å; E345-Y349 PolarHBondContact O-N 3.39Å; E345-Y349 WeakPolarHBondContact OE1-CE2 3.46Å; E345-Y349 PolarHBondContact OE1-OH 2.82Å; E345-P591 HydrophobicContact CG-CB 4.46Å; E345-P591 HydrophobicContact CG-CG 4.41Å; E345-P591 WeakPolarHBondContact OE2-CG 3.04Å; E345-W597 HydrophobicContact CB-CH2 4.22Å; E345-W597 HydrophobicContact CB-CZ2 3.62Å; E345-W597 HydrophobicContact CG-CZ2 3.93Å
346N83Confident84.3Confident58 Ų5841.8 Ų41.831%0.3121%0.208SC..Hα-helixtrans-61.8-45175.3-72.7-65.8000110.8D342 Y348 Y349 E350D342-N346 WeakPolarHBondContact O-CB 3.45Å; D342-N346 PolarHBondContact O-N 3.14Å; D342-N346 PolarHBondContact O-ND2 3.08Å; D342-N346 PolarHBondContact OD1-ND2 3.5Å; N346-Y348 VanDerWaalsContact C-N 3.33Å; N346-Y348 PolarHBondContact O-N 3.13Å; N346-Y349 PolarHBondContact O-N 3.13Å; N346-E350 PolarHBondContact O-N 3.21Å
347Q86.8Confident84.9Confident30 Ų3039.8 Ų39.814%0.1421%0.209CC..Hα-helixtrans-65.7-30.8175.7-74.617549.700112.9D343 E345 E350 F351 R469 L473D343-Q347 WeakPolarHBondContact O-CB 3.33Å; D343-Q347 WeakPolarHBondContact O-CG 3.49Å; D343-Q347 PolarHBondContact O-N 3.02Å; D343-Q347 PolarHBondContact OD1-NE2 3.17Å; D343-Q347 PolarHBondContact OD2-NE2 2.83Å; D343-Q347 VanDerWaalsContact OD2-NE2 3.11Å; E345-Q347 PolarHBondContact O-N 2.85Å; Q347-E350 PolarHBondContact O-N 3.3Å; Q347-F351 HydrophobicContact CB-CD2 4.17Å; Q347-F351 HydrophobicContact CB-CE2 4.02Å; Q347-F351 HydrophobicContact CG-CE2 4.4Å; Q347-F351 WeakPolarHBondContact O-CB 3.39Å; Q347-F351 WeakPolarHBondContact O-CD2 3.14Å; Q347-F351 PolarHBondContact O-N 2.97Å; Q347-R469 VanDerWaalsContact NE2-NH2 3.11Å; Q347-L473 HydrophobicContact CB-CD1 4.43Å; Q347-L473 HydrophobicContact CB-CD2 4.49Å
348Y89.7Confident85.7Confident8 Ų840 Ų403%0.03121%0.21CC..Hα-helixtrans-59.2-48.7170.6173.5-99.7000111.6V344 E345 N346 F351 T352 N593 E596 W597 L600V344-Y348 WeakPolarHBondContact O-CB 3.12Å; V344-Y348 PolarHBondContact O-N 3.38Å; E345-Y348 WeakPolarHBondContact O-CB 3.43Å; E345-Y348 PolarHBondContact O-N 2.85Å; N346-Y348 VanDerWaalsContact C-N 3.33Å; N346-Y348 PolarHBondContact O-N 3.13Å; Y348-F351 PolarHBondContact O-N 2.67Å; Y348-T352 WeakPolarHBondContact O-CB 3.31Å; Y348-T352 PolarHBondContact O-N 2.99Å; Y348-T352 PolarHBondContact O-OG1 3.35Å; Y348-N593 WeakPolarHBondContact CD1-ND2 3.29Å; Y348-N593 HydrophobicContact CE1-CB 4.14Å; Y348-N593 VanDerWaalsContact CE1-ND2 3.3Å; Y348-N593 WeakPolarHBondContact CE1-ND2 3.44Å; Y348-E596 HydrophobicContact CE2-CB 3.97Å; Y348-E596 VanDerWaalsContact OH-CB 3.25Å; Y348-E596 WeakPolarHBondContact OH-CB 3.47Å; Y348-E596 PolarHBondContact OH-OE2 3.11Å; Y348-W597 HydrophobicContact CD2-CB 4.37Å; Y348-W597 AromaticContact CD2-CD1 3.37Å; Y348-W597 HydrophobicContact CD2-CG 4.12Å; Y348-W597 AromaticContact CE2-CD1 3.84Å; Y348-W597 AromaticContact CG-CD1 3.49Å; Y348-W597 VanDerWaalsContact CG-CD1 3.49Å; Y348-W597 HydrophobicContact CG-CG 4.41Å; Y348-W597 AromaticContact CG-NE1 3.81Å; Y348-L600 HydrophobicContact CD2-CB 4Å; Y348-L600 HydrophobicContact CD2-CD2 3.31Å; Y348-L600 HydrophobicContact CD2-CG 4.29Å; Y348-L600 HydrophobicContact CE2-CB 3.71Å; Y348-L600 HydrophobicContact CE2-CD2 3.6Å; Y348-L600 HydrophobicContact CE2-CG 4.27Å; Y348-L600 HydrophobicContact CG-CD2 4.06Å; Y348-L600 VanDerWaalsContact O-CD2 3.24Å; Y348-L600 WeakPolarHBondContact O-CD2 3.24Å
349Y87.8Confident86.4Confident75 Ų7542 Ų4229%0.29422%0.22SC..Hα-helixtrans-67.7-36.7178.6-63.9-59.7000112.8R219 E345 N346 N353 N593R219-Y349 WeakPolarHBondContact O-CE2 3.09Å; R219-Y349 VanDerWaalsContact O-CZ 3.25Å; R219-Y349 PolarHBondContact O-OH 3.26Å; E345-Y349 HydrophobicContact CG-CD2 4.24Å; E345-Y349 HydrophobicContact CG-CE2 3.57Å; E345-Y349 WeakPolarHBondContact O-CD2 3.4Å; E345-Y349 PolarHBondContact O-N 3.39Å; E345-Y349 WeakPolarHBondContact OE1-CE2 3.46Å; E345-Y349 PolarHBondContact OE1-OH 2.82Å; N346-Y349 PolarHBondContact O-N 3.13Å; Y349-N353 PolarHBondContact O-ND2 3.34Å; Y349-N593 PolarHBondContact OH-ND2 3.13Å
350E85.5Confident87Confident130 Ų13043.9 Ų43.961%0.60723%0.232SC*.Hα-helixtrans-61.9-52.5173.6-71.2-172.5160.900111.7N346 Q347 T352 N353 L354N346-E350 PolarHBondContact O-N 3.21Å; Q347-E350 PolarHBondContact O-N 3.3Å; E350-T352 VanDerWaalsContact C-N 3.29Å; E350-T352 PolarHBondContact O-N 3.03Å; E350-N353 PolarHBondContact O-N 2.82Å; E350-L354 PolarHBondContact O-N 3.35Å
351F91.1Very high87.4Confident18 Ų1844.1 Ų44.18%0.07923%0.233CC..Hα-helixtrans-69.2-23.1-178.3-68.7-53.3000113.6Q347 Y348 N353 L354 A355 L466 L470 L473 L600 F601 M604Q347-F351 HydrophobicContact CB-CD2 4.17Å; Q347-F351 HydrophobicContact CB-CE2 4.02Å; Q347-F351 HydrophobicContact CG-CE2 4.4Å; Q347-F351 WeakPolarHBondContact O-CB 3.39Å; Q347-F351 WeakPolarHBondContact O-CD2 3.14Å; Q347-F351 PolarHBondContact O-N 2.97Å; Y348-F351 PolarHBondContact O-N 2.67Å; F351-N353 VanDerWaalsContact C-N 3.34Å; F351-N353 PolarHBondContact O-N 3.18Å; F351-L354 HydrophobicContact CD1-CD2 4.05Å; F351-L354 HydrophobicContact CE1-CD2 4.29Å; F351-L354 PolarHBondContact O-N 3.34Å; F351-A355 WeakPolarHBondContact O-CB 3.48Å; F351-A355 PolarHBondContact O-N 3.14Å; F351-L466 HydrophobicContact CE1-CD1 3.94Å; F351-L466 HydrophobicContact CE1-CD2 4.01Å; F351-L466 HydrophobicContact CZ-CD2 4.18Å; F351-L470 HydrophobicContact CD1-CD2 4.18Å; F351-L470 HydrophobicContact CD2-CD2 4.16Å; F351-L470 HydrophobicContact CE1-CD2 4.3Å; F351-L470 HydrophobicContact CE2-CD2 4.29Å; F351-L470 HydrophobicContact CG-CD2 4.13Å; F351-L470 HydrophobicContact CZ-CD2 4.36Å; F351-L473 HydrophobicContact CD2-CD1 3.95Å; F351-L473 HydrophobicContact CE2-CD1 3.45Å; F351-L473 VanDerWaalsContact CE2-CD1 3.45Å; F351-L473 HydrophobicContact CZ-CD1 4.43Å; F351-L600 HydrophobicContact CB-CD2 4.16Å; F351-F601 HydrophobicContact CD2-CD1 4.49Å; F351-F601 AromaticContact CD2-CE1 3.99Å; F351-F601 HydrophobicContact CD2-CE1 3.99Å; F351-M604 HydrophobicContact CB-CE 4.21Å; F351-M604 HydrophobicContact CB-CG 4.49Å; F351-M604 HydrophobicContact CD1-CE 3.82Å; F351-M604 HydrophobicContact CG-CE 4.36Å
352T89.8Confident87.7Confident38 Ų3845.5 Ų45.523%0.23324%0.241CC..Hα-helixtrans-61.1-42.5171.6-59.40000111.5Y348 E350 S356 L600Y348-T352 WeakPolarHBondContact O-CB 3.31Å; Y348-T352 PolarHBondContact O-N 2.99Å; Y348-T352 PolarHBondContact O-OG1 3.35Å; E350-T352 VanDerWaalsContact C-N 3.29Å; E350-T352 PolarHBondContact O-N 3.03Å; T352-S356 PolarHBondContact O-N 2.97Å; T352-L600 WeakPolarHBondContact OG1-CD2 3.4Å
353N87.7Confident88.2Confident100 Ų10049.2 Ų49.254%0.53526%0.257SS..Hα-helixtrans-70.3-36.5177.6-63.3-63.2000111.7Y349 E350 F351 T357Y349-N353 PolarHBondContact O-ND2 3.34Å; E350-N353 PolarHBondContact O-N 2.82Å; F351-N353 VanDerWaalsContact C-N 3.34Å; F351-N353 PolarHBondContact O-N 3.18Å; N353-T357 PolarHBondContact O-N 2.76Å; N353-T357 VanDerWaalsContact O-N 3.1Å; N353-T357 PolarHBondContact O-OG1 3.31Å
354L90.9Very high88.3Confident43 Ų4348.3 Ų48.323%0.22526%0.255CS..Hα-helixtrans-68.3-41177.4-169.558.2000112E350 F351 S356 T357 W358 L466 M604E350-L354 PolarHBondContact O-N 3.35Å; F351-L354 HydrophobicContact CD1-CD2 4.05Å; F351-L354 HydrophobicContact CE1-CD2 4.29Å; F351-L354 PolarHBondContact O-N 3.34Å; L354-S356 PolarHBondContact O-N 3.15Å; L354-T357 WeakPolarHBondContact O-CB 3.39Å; L354-T357 PolarHBondContact O-N 2.94Å; L354-T357 VanDerWaalsContact O-N 3.15Å; L354-W358 HydrophobicContact CD1-CZ2 4.18Å; L354-W358 HydrophobicContact CD2-CH2 4.04Å; L354-W358 HydrophobicContact CD2-CZ2 3.65Å; L354-W358 HydrophobicContact CG-CD2 4.22Å; L354-W358 HydrophobicContact CG-CH2 4.35Å; L354-W358 HydrophobicContact CG-CZ2 3.8Å; L354-W358 PolarHBondContact O-N 3.05Å; L354-L466 HydrophobicContact CD2-CD1 3.53Å; L354-M604 HydrophobicContact CB-CE 4.05Å; L354-M604 HydrophobicContact CD2-CE 3.85Å; L354-M604 HydrophobicContact CG-CE 3.95Å
355A90.7Very high88.2Confident7 Ų748.4 Ų48.46%0.05826%0.256CS..Hα-helixtrans-56-48.8174.200000111.7F351 T357 W358 N359 L600 M604 L607F351-A355 WeakPolarHBondContact O-CB 3.48Å; F351-A355 PolarHBondContact O-N 3.14Å; A355-T357 VanDerWaalsContact C-N 3.33Å; A355-T357 PolarHBondContact O-N 3.47Å; A355-W358 PolarHBondContact O-N 3.11Å; A355-N359 PolarHBondContact O-N 3.11Å; A355-N359 PolarHBondContact O-ND2 3.4Å; A355-L600 HydrophobicContact CB-CD1 4.12Å; A355-M604 VanDerWaalsContact CA-SD 3.54Å; A355-M604 HydrophobicContact CB-CG 4.25Å; A355-M604 HydrophobicContact CB-SD 3.51Å; A355-M604 VanDerWaalsContact CB-SD 3.51Å; A355-L607 HydrophobicContact CB-CD1 4.44Å
356S89.8Confident87.7Confident65 Ų6552.5 Ų52.546%0.45528%0.281SS..Hα-helixtrans-58.2-45.3175.5179.60000111.6T352 L354 W358 N359 N360T352-S356 PolarHBondContact O-N 2.97Å; L354-S356 PolarHBondContact O-N 3.15Å; S356-W358 VanDerWaalsContact C-N 3.35Å; S356-W358 PolarHBondContact O-N 3.32Å; S356-N359 PolarHBondContact O-N 2.98Å; S356-N360 PolarHBondContact O-N 3.37Å; S356-N360 VanDerWaalsContact O-N 3.08Å; S356-N360 PolarHBondContact O-ND2 2.75Å; S356-N360 VanDerWaalsContact O-ND2 3.09Å
357T90.7Very high87.1Confident73 Ų7355.9 Ų55.945%0.44830%0.299SS..Hα-helixtrans-60.6-40.7179.1-54.90000112.7N353 L354 A355 L361N353-T357 PolarHBondContact O-N 2.76Å; N353-T357 VanDerWaalsContact O-N 3.1Å; N353-T357 PolarHBondContact O-OG1 3.31Å; L354-T357 WeakPolarHBondContact O-CB 3.39Å; L354-T357 PolarHBondContact O-N 2.94Å; L354-T357 VanDerWaalsContact O-N 3.15Å; A355-T357 VanDerWaalsContact C-N 3.33Å; A355-T357 PolarHBondContact O-N 3.47Å; T357-L361 WeakPolarHBondContact O-CB 3.31Å; T357-L361 PolarHBondContact O-N 3.23Å
358W92.9Very high86.2Confident7 Ų757.3 Ų57.33%0.02730%0.304CS..Hα-helixtrans-72-38.2177.3-67.4-14.4000113.2L354 A355 S356 L361 I362 T462 L466 M604 L607 A608 L612L354-W358 HydrophobicContact CD1-CZ2 4.18Å; L354-W358 HydrophobicContact CD2-CH2 4.04Å; L354-W358 HydrophobicContact CD2-CZ2 3.65Å; L354-W358 HydrophobicContact CG-CD2 4.22Å; L354-W358 HydrophobicContact CG-CH2 4.35Å; L354-W358 HydrophobicContact CG-CZ2 3.8Å; L354-W358 PolarHBondContact O-N 3.05Å; A355-W358 PolarHBondContact O-N 3.11Å; S356-W358 VanDerWaalsContact C-N 3.35Å; S356-W358 PolarHBondContact O-N 3.32Å; W358-L361 WeakPolarHBondContact O-CB 3.29Å; W358-L361 PolarHBondContact O-N 3.06Å; W358-I362 WeakPolarHBondContact O-CG1 3.31Å; W358-I362 PolarHBondContact O-N 3.44Å; W358-I362 VanDerWaalsContact O-N 3.12Å; W358-T462 HydrophobicContact CZ2-CG2 4.17Å; W358-L466 HydrophobicContact CH2-CD1 4.09Å; W358-L466 HydrophobicContact CZ2-CD1 4.19Å; W358-M604 HydrophobicContact CE3-CE 3.85Å; W358-M604 HydrophobicContact CE3-SD 3.79Å; W358-M604 HydrophobicContact CH2-CE 3.63Å; W358-M604 HydrophobicContact CZ2-CE 4.43Å; W358-M604 HydrophobicContact CZ3-CE 3.29Å; W358-M604 HydrophobicContact CZ3-SD 3.69Å; W358-L607 HydrophobicContact CE3-CB 4.01Å; W358-A608 HydrophobicContact CH2-CB 4.3Å; W358-A608 HydrophobicContact CZ3-CB 4.01Å; W358-L612 HydrophobicContact CB-CD1 4.45Å; W358-L612 HydrophobicContact CD2-CD1 3.71Å; W358-L612 HydrophobicContact CE3-CD1 3.94Å; W358-L612 HydrophobicContact CG-CD1 3.96Å; W358-L612 HydrophobicContact CZ3-CD1 4.43Å
359N90.5Very high85Confident51 Ų5158.8 Ų58.827%0.27331%0.312SS..Hα-helixtrans-63.4-50.1176.8-79.8-86.3000111.5A355 S356 L361 I362 E363 L607A355-N359 PolarHBondContact O-N 3.11Å; A355-N359 PolarHBondContact O-ND2 3.4Å; S356-N359 PolarHBondContact O-N 2.98Å; N359-L361 PolarHBondContact O-N 2.72Å; N359-L361 VanDerWaalsContact O-N 3.13Å; N359-I362 PolarHBondContact O-N 3.03Å; N359-E363 PolarHBondContact O-N 3.46Å; N359-L607 WeakPolarHBondContact ND2-CD1 3.14Å
360N89.6Confident83.4Confident86 Ų8655.9 Ų55.946%0.4630%0.302SS..Hα-helixtrans-57.2-32.1178.1-60.6-27.2000112.5S356 S364S356-N360 PolarHBondContact O-N 3.37Å; S356-N360 VanDerWaalsContact O-N 3.08Å; S356-N360 PolarHBondContact O-ND2 2.75Å; S356-N360 VanDerWaalsContact O-ND2 3.09Å; N360-S364 WeakPolarHBondContact O-CB 3.27Å; N360-S364 PolarHBondContact O-N 3.13Å; N360-S364 VanDerWaalsContact O-N 3.07Å; N360-S364 PolarHBondContact O-OG 3.5Å
361L89.2Confident81.7Confident10 Ų1053.5 Ų53.55%0.05229%0.293CS..Hα-helixtrans-73.4-37.3178.1-172.372.6000112.6T357 W358 N359 S364 L452 R455 I456 A459T357-L361 WeakPolarHBondContact O-CB 3.31Å; T357-L361 PolarHBondContact O-N 3.23Å; W358-L361 WeakPolarHBondContact O-CB 3.29Å; W358-L361 PolarHBondContact O-N 3.06Å; N359-L361 PolarHBondContact O-N 2.72Å; N359-L361 VanDerWaalsContact O-N 3.13Å; L361-S364 WeakPolarHBondContact O-CB 3.5Å; L361-S364 PolarHBondContact O-N 3.29Å; L361-L452 HydrophobicContact CD1-CD1 3.84Å; L361-R455 HydrophobicContact CD1-CB 3.73Å; L361-R455 WeakPolarHBondContact CD2-O 3.38Å; L361-I456 HydrophobicContact CD1-CG1 4.32Å; L361-I456 HydrophobicContact CD2-CG1 3.98Å; L361-I456 HydrophobicContact CG-CG1 3.82Å; L361-A459 HydrophobicContact CD2-CB 3.55Å
362I88.2Confident79.3Confident41 Ų4162.3 Ų62.321%0.2133%0.331CS..Hα-helixtrans-71.7-40174.6-65.8164000110.2W358 N359 S364 L365 L607 D611 L612 A615W358-I362 WeakPolarHBondContact O-CG1 3.31Å; W358-I362 PolarHBondContact O-N 3.44Å; W358-I362 VanDerWaalsContact O-N 3.12Å; N359-I362 PolarHBondContact O-N 3.03Å; I362-S364 VanDerWaalsContact C-N 3.3Å; I362-S364 PolarHBondContact O-N 3.32Å; I362-L365 WeakPolarHBondContact O-CB 3.35Å; I362-L365 PolarHBondContact O-N 3.15Å; I362-L607 HydrophobicContact CD1-CD2 4.11Å; I362-D611 HydrophobicContact CD1-CB 4.1Å; I362-L612 HydrophobicContact CD1-CD2 4.07Å; I362-L612 HydrophobicContact CD1-CG 4.28Å; I362-L612 HydrophobicContact CG1-CD2 4.11Å; I362-A615 HydrophobicContact CG1-CB 4.24Å
363E86.5Confident76.4Confident120 Ų12068.4 Ų68.456%0.56136%0.359SS*.Hα-helixtrans-59.9-39.9172.8-71.2-176.5166.400111.7N359 L365 V366N359-E363 PolarHBondContact O-N 3.46Å; E363-L365 PolarHBondContact O-N 3.39Å; E363-L365 VanDerWaalsContact O-N 3.07Å; E363-V366 WeakPolarHBondContact O-CB 3.44Å; E363-V366 WeakPolarHBondContact O-CG2 3.37Å; E363-V366 PolarHBondContact O-N 2.92Å
364S83.6Confident73.6Confident47 Ų4768.7 Ų68.733%0.32937%0.369SS..Hα-helixtrans-60.5-17.6177.2-59.70000114.6N360 L361 I362 Y368 L452N360-S364 WeakPolarHBondContact O-CB 3.27Å; N360-S364 PolarHBondContact O-N 3.13Å; N360-S364 VanDerWaalsContact O-N 3.07Å; N360-S364 PolarHBondContact O-OG 3.5Å; L361-S364 WeakPolarHBondContact O-CB 3.5Å; L361-S364 PolarHBondContact O-N 3.29Å; I362-S364 VanDerWaalsContact C-N 3.3Å; I362-S364 PolarHBondContact O-N 3.32Å; S364-Y368 WeakPolarHBondContact O-CD2 3.33Å; S364-L452 WeakPolarHBondContact O-CD2 3.42Å
365L81.8Confident70.5Confident2 Ų274 Ų741%0.0140%0.397CS..Hα-helixtrans-80.6-26.9174.5177.258.6000112.5I362 E363 D367 Y368 L369 L452 I456 A615 Q618 I619 L622I362-L365 WeakPolarHBondContact O-CB 3.35Å; I362-L365 PolarHBondContact O-N 3.15Å; E363-L365 PolarHBondContact O-N 3.39Å; E363-L365 VanDerWaalsContact O-N 3.07Å; L365-D367 VanDerWaalsContact C-N 3.27Å; L365-D367 PolarHBondContact O-N 3.44Å; L365-Y368 PolarHBondContact O-N 2.68Å; L365-L369 HydrophobicContact CG-CD1 4.44Å; L365-L452 HydrophobicContact CB-CD2 4.4Å; L365-L452 HydrophobicContact CD1-CD2 4.5Å; L365-I456 HydrophobicContact CB-CD1 4.28Å; L365-I456 HydrophobicContact CD2-CD1 4.27Å; L365-A615 HydrophobicContact CD2-CB 3.9Å; L365-A615 WeakPolarHBondContact CD2-O 3.23Å; L365-Q618 HydrophobicContact CD2-CB 3.89Å; L365-I619 HydrophobicContact CD1-CB 3.84Å; L365-I619 HydrophobicContact CD1-CD1 4.05Å; L365-I619 HydrophobicContact CD1-CG1 4.04Å; L365-I619 HydrophobicContact CD2-CB 4.42Å; L365-L622 HydrophobicContact CD1-CD2 4.36Å
366V76Confident67.4Low93 Ų9379.2 Ų79.256%0.56443%0.433SS*.Hα-helixtrans-62.7-35.8-174.5-177.30000111.4E363 Y368 L369E363-V366 WeakPolarHBondContact O-CB 3.44Å; E363-V366 WeakPolarHBondContact O-CG2 3.37Å; E363-V366 PolarHBondContact O-N 2.92Å; V366-Y368 PolarHBondContact O-N 2.82Å; V366-Y368 VanDerWaalsContact O-N 3.11Å; V366-L369 PolarHBondContact O-N 3.2Å
367D69.5Low64.4Low130 Ų13081.7 Ų81.770%0.69545%0.451SS*.THydrogen-bonded Turntrans-60.2-21179.2-69.3-30.2000114.3L365L365-D367 VanDerWaalsContact C-N 3.27Å; L365-D367 PolarHBondContact O-N 3.44Å
368Y68.8Low61.3Low59 Ų5982.8 Ų82.823%0.23147%0.468CS..THydrogen-bonded Turntrans-103-10-178-61.1-92.2000113.9S364 L365 V366 I445 S448 L449 L452S364-Y368 WeakPolarHBondContact O-CD2 3.33Å; L365-Y368 PolarHBondContact O-N 2.68Å; V366-Y368 PolarHBondContact O-N 2.82Å; V366-Y368 VanDerWaalsContact O-N 3.11Å; Y368-I445 HydrophobicContact CD1-CG2 4.47Å; Y368-I445 HydrophobicContact CE1-CG2 4.31Å; Y368-S448 WeakPolarHBondContact CE1-OG 3.48Å; Y368-S448 PolarHBondContact OH-OG 3Å; Y368-L449 HydrophobicContact CD1-CD2 3.6Å; Y368-L449 HydrophobicContact CD1-CG 4.03Å; Y368-L449 HydrophobicContact CD2-CD2 4.37Å; Y368-L449 HydrophobicContact CE1-CD2 4.18Å; Y368-L449 HydrophobicContact CE1-CG 4.32Å; Y368-L449 HydrophobicContact CG-CD2 3.7Å; Y368-L452 HydrophobicContact CD2-CD2 4.12Å; Y368-L452 HydrophobicContact CE2-CD2 4.04Å
369L63.5Low58.1Low40 Ų4089.9 Ų89.921%0.20951%0.505CS..  trans-80.6128.9-176.6-72.2173.7000111.6L365 V366 I371 L622 L694L365-L369 HydrophobicContact CG-CD1 4.44Å; V366-L369 PolarHBondContact O-N 3.2Å; L369-I371 PolarHBondContact O-N 3.28Å; L369-L622 HydrophobicContact CD2-CD2 4.37Å; L369-L694 HydrophobicContact CD2-CD2 3.7Å
370P54.1Low55.1Low13 Ų1392.3 Ų92.38%0.08453%0.526CS..SBendtrans-67.719.1178.5-22.534.8000116.4D696 L699P370-D696 HydrophobicContact CB-CB 4.38Å; P370-D696 WeakPolarHBondContact O-CB 3.49Å; P370-L699 HydrophobicContact CB-CD1 4.36Å; P370-L699 HydrophobicContact CG-CD1 3.95Å
371I51.1Low52.3Low80 Ų8091.9 Ų91.941%0.4153%0.528SS..  trans-121.8113.3-167.4-57.4-179.9000111L369 M373 G693L369-I371 PolarHBondContact O-N 3.28Å; I371-M373 VanDerWaalsContact C-N 3.27Å; I371-M373 HydrophobicContact CG2-CG 4.19Å; I371-M373 PolarHBondContact O-N 3.12Å; I371-G693 WeakPolarHBondContact CD1-O 3.43Å
372K40.2Very low49.4Very low203 Ų20397.8 Ų97.888%0.88356%0.564SS**  trans-65.886.4161.2-77.6-178.6175.4173.60110S374K372-S374 PolarHBondContact O-N 3.13Å
373M30Very low46.6Very low166 Ų166100.9 Ų100.982%0.81858%0.577SS**  trans-70.274.6163.8-91.9-71.2178.500109.6I371 N375I371-M373 VanDerWaalsContact C-N 3.27Å; I371-M373 HydrophobicContact CG2-CG 4.19Å; I371-M373 PolarHBondContact O-N 3.12Å; M373-N375 PolarHBondContact O-N 2.9Å
374S27.6Very low44Very low107 Ų107102.6 Ų102.675%0.74859%0.585SS**  trans-74.872.1172.560.30000110.5K372K372-S374 PolarHBondContact O-N 3.13Å
375N26.9Very low41.4Very low153 Ų153108.9 Ų108.982%0.81861%0.61SS**  trans-154.485.1159.8-96.9-18.7000108.7M373M373-N375 PolarHBondContact O-N 2.9Å
376S25.6Very low38.9Very low117 Ų117118.5 Ų118.582%0.81865%0.647SS**  trans-61166.6158.6-177.30000110.1
377S25.7Very low36.7Very low118 Ų118123.1 Ų123.183%0.82566%0.656SS**  trans77.653.3175.382.40000118.7
378A26.5Very low34.6Very low96 Ų96124 Ų12479%0.79366%0.66SS**SBendtrans-156.736.4159.600000115.9
379L26Very low32.5Very low156 Ų156130.6 Ų130.682%0.81769%0.693SS**SBendtrans-169.3154.9166.3-103.7152.3000109.1
380S26Very low30.8Very low101 Ų101134.3 Ų134.371%0.70672%0.723SS**  trans68.6142.5-175.3-164.20000116.3
381P31.3Very low29.5Very low78 Ų78139.4 Ų139.451%0.50676%0.759SS.*  cis-132.6139.8-30.933.7-17.5000113.8H383P381-H383 VanDerWaalsContact C-N 3.32Å
382V28Very low28.4Very low134 Ų134143 Ų14381%0.81278%0.778SS**G310 helixtrans-78.9-14.8172179.20000112.6Q384V382-Q384 PolarHBondContact O-N 2.67Å
383H30.3Very low27.9Very low105 Ų105141 Ų14149%0.48677%0.769SS.*G310 helixtrans-92.715.4-169.7-91.6-28.7000117.3P381P381-H383 VanDerWaalsContact C-N 3.32Å
384Q30.6Very low28Very low156 Ų156139.9 Ų139.973%0.72977%0.767SS**G310 helixtrans-108.5-0176.1-79.8-172.1-14.600116V382V382-Q384 PolarHBondContact O-N 2.67Å
385Q29.9Very low28.2Very low180 Ų180140.2 Ų140.284%0.84176%0.76SS**SBendtrans-96.3-14.1-178.7-75.1-170.7-23.400116.2
386Y28.6Very low28.5Very low203 Ų203140.2 Ų140.280%0.79675%0.753SS**SBendtrans-100.7-11.7178.1-87.2-81.7000115.4
387Y29.5Very low28.7Very low190 Ų190141.5 Ų141.575%0.74575%0.746SS**SBendtrans-100.556.7174.9-99.5-88.5000112.1
388N25.8Very low29Very low148 Ų148142.1 Ų142.179%0.79174%0.74SS**SBendtrans-164.543.3167.6-102.9-32.6000115.7
389Q26.4Very low29.1Very low198 Ų198142.4 Ų142.493%0.92574%0.736SS**SBendtrans-133.736.6169.5-73.6-161.5-7.900114
390S26.4Very low29.3Very low119 Ų119140.9 Ų140.983%0.83274%0.737SS**SBendtrans-15231.3-179.257.30000116.3
391S28.1Very low29.3Very low120 Ų120143.6 Ų143.684%0.83974%0.742SS**  trans-149.1113.4156.4-163.20000111.2
392L27.2Very low29.3Very low154 Ų154145.7 Ų145.781%0.80676%0.756SS**  trans-127.4123.8173.3-145170.4000106.8
393K30.2Very low29.1Very low161 Ų161146.2 Ų146.270%0.775%0.754SS**  trans87.4137.5177.3-50.9-169.3-179.3-177.70117.4
394D31.4Very low29.1Very low143 Ų143148.4 Ų148.477%0.76577%0.769SS**  trans65.9137.1148.8-49.5-18000120.2
395D32.1Very low28.9Very low114 Ų114147.5 Ų147.561%0.6177%0.77SS**  cis-167.8140.5-28.5-150.4-6.4000109.5
396K32.5Very low28.9Very low153 Ų153146.4 Ų146.467%0.66577%0.769SS**  trans61.9165.5168.6-49.8179.9177.768.80115.2
397E31.2Very low28.9Very low145 Ų145143.9 Ų143.968%0.67877%0.77SS**  cis-156.5165.87.4-145.3158.2-115.700111.2
398N30Very low28.9Very low130 Ų130142.8 Ų142.870%0.69578%0.777SS**  trans66.9104.6164.4-57.5-42.3000118.1
399S29.5Very low28.9Very low102 Ų102143.1 Ų143.171%0.71378%0.778SS**  90.6135.466.873.20000113.2
400C29.3Very low29Very low124 Ų124141.2 Ų141.284%0.83878%0.775SS**  cis-133.5160.619.1-69.80000114.4
401I26.6Very low29Very low158 Ų158142.8 Ų142.881%0.8177%0.774SS**  trans-137.5140.7176.8-83.1171.6000105.1
402P31Very low29Very low122 Ų122145.1 Ų145.179%0.79278%0.777SS**  -149.5128.396.735.3-14.6000117.3
403N24.4Very low29.1Very low146 Ų146143.1 Ų143.178%0.78178%0.776SS**  trans-56.5150.7140.7-89-22.6000109.8
404N29.9Very low29.2Very low150 Ų150141.2 Ų141.280%0.80278%0.783SS**  trans-139.7116.6146.9-159.610.5000110.6
405N27.1Very low29.6Very low138 Ų138137.3 Ų137.374%0.73877%0.766SS**  trans-72.3138.8172.7-75.5-26.3000109.3
406N30.3Very low30.5Very low156 Ų156134.2 Ų134.283%0.83475%0.753SS**  trans-148.2126.5146.4-110-36.2000110.6
407N27.3Very low31.4Very low151 Ų151130.2 Ų130.281%0.80774%0.743SS**  trans-67.4136.4174.9-64.8-40.6000109.6
408N29.6Very low32.4Very low166 Ų166123.8 Ų123.889%0.88871%0.714SS**  trans-148.2129.4143.6-104.5-37.4000109.7N410N408-N410 PolarHBondContact O-N 3.27Å
409N26.2Very low33.5Very low155 Ų155119.2 Ų119.283%0.82969%0.688SS**  trans-68.2130175.6-61.9-44.7000109.3
410N28.5Very low34.8Very low158 Ų158118.8 Ų118.885%0.84567%0.674SS**  trans-155.8144.9143.1-102.3-34.1000110.5N408N408-N410 PolarHBondContact O-N 3.27Å
411N25.8Very low36Very low153 Ų153113.2 Ų113.282%0.81864%0.636SS**  trans-74.2132.5-174.2-50-65.6000110.7
412N29Very low37.3Very low169 Ų169106.1 Ų106.190%0.90460%0.599SS**  trans-162.2145.4144.2-98.3-24.5000110
413S28.4Very low38.5Very low111 Ų111103.9 Ų103.978%0.77658%0.58SS**  trans-85.8115.8-171.550.50000112.6C415S413-C415 PolarHBondContact O-N 2.87Å
414S34.1Very low40Very low122 Ų12298.3 Ų98.385%0.85355%0.552SS**  trans-74.7104.5173.356.90000111.5
415C38.4Very low41.1Very low60 Ų6092.2 Ų92.241%0.40552%0.523SS..  trans-66.2147.6165.3-86.30000111.2S413 H419S413-C415 PolarHBondContact O-N 2.87Å; C415-H419 HydrophobicContact CB-CB 3.96Å
416S52.3Low42.3Very low50 Ų5086.9 Ų86.935%0.3550%0.495SS..  trans-73.2159.7169.152.10000111.1S418 H419 F420S416-S418 WeakPolarHBondContact CB-OG 3.47Å; S416-S418 PolarHBondContact O-N 3.15Å; S416-S418 PolarHBondContact OG-OG 2.81Å; S416-H419 WeakPolarHBondContact O-CA 3.26Å; S416-H419 WeakPolarHBondContact O-CB 3.37Å; S416-H419 PolarHBondContact O-N 2.83Å; S416-F420 PolarHBondContact O-N 3.45Å; S416-F420 VanDerWaalsContact O-N 3.11Å
417P51.6Low43.5Very low69 Ų6986.4 Ų86.445%0.44849%0.485SS..Hα-helixtrans-55.1-37.7176.8-2635000113H419 F420 I421 I445P417-H419 VanDerWaalsContact C-N 3.26Å; P417-H419 PolarHBondContact O-N 3.12Å; P417-F420 WeakPolarHBondContact O-CB 3.49Å; P417-F420 PolarHBondContact O-N 2.9Å; P417-F420 VanDerWaalsContact O-N 3.09Å; P417-I421 PolarHBondContact O-N 3.41Å; P417-I445 HydrophobicContact CB-CD1 4.28Å
418S51.9Low44.3Very low9 Ų984 Ų846%0.06347%0.472CS..Hα-helixtrans-57.6-33.8172.953.10000114.2S416 I422 Y626S416-S418 WeakPolarHBondContact CB-OG 3.47Å; S416-S418 PolarHBondContact O-N 3.15Å; S416-S418 PolarHBondContact OG-OG 2.81Å; S418-I422 WeakPolarHBondContact O-CD1 3.08Å; S418-I422 WeakPolarHBondContact O-CG1 3.05Å; S418-Y626 VanDerWaalsContact CA-OH 3.29Å; S418-Y626 WeakPolarHBondContact CA-OH 3.48Å; S418-Y626 WeakPolarHBondContact CB-OH 3.09Å
419H53.4Low44.9Very low35 Ų3581.1 Ų81.116%0.16246%0.457CS..Hα-helixtrans-81.7-27.6177.9-142124000111C415 S416 P417 I422 L423 D698 H702C415-H419 HydrophobicContact CB-CB 3.96Å; S416-H419 WeakPolarHBondContact O-CA 3.26Å; S416-H419 WeakPolarHBondContact O-CB 3.37Å; S416-H419 PolarHBondContact O-N 2.83Å; P417-H419 VanDerWaalsContact C-N 3.26Å; P417-H419 PolarHBondContact O-N 3.12Å; H419-I422 PolarHBondContact O-N 2.94Å; H419-L423 VanDerWaalsContact O-CG 3.32Å; H419-L423 WeakPolarHBondContact O-CG 3.27Å; H419-L423 PolarHBondContact O-N 2.91Å; H419-D698 IonicContact CE1-OD2 3.73Å; H419-H702 AromaticContact NE2-CE1 3.41Å; H419-H702 PolarHBondContact NE2-CE1 3.28Å; H419-H702 AromaticContact NE2-ND1 3.98Å
420F56.5Low45.7Very low92 Ų9280.5 Ų80.540%0.40445%0.454SS..Hα-helixtrans-71.5-49.1-177.7-156.1-72.7000112.6S416 P417 I422 L423 S424 L441S416-F420 PolarHBondContact O-N 3.45Å; S416-F420 VanDerWaalsContact O-N 3.11Å; P417-F420 WeakPolarHBondContact O-CB 3.49Å; P417-F420 PolarHBondContact O-N 2.9Å; P417-F420 VanDerWaalsContact O-N 3.09Å; F420-I422 PolarHBondContact O-N 3.08Å; F420-I422 VanDerWaalsContact O-N 3.12Å; F420-L423 PolarHBondContact O-N 3.37Å; F420-S424 PolarHBondContact O-N 3Å; F420-S424 PolarHBondContact O-OG 3.44Å; F420-L441 HydrophobicContact CD1-CD2 3.58Å; F420-L441 HydrophobicContact CE1-CD2 3.62Å; F420-L441 HydrophobicContact CG-CD2 4.28Å; F420-L441 HydrophobicContact CZ-CD2 4.35Å
421I54.7Low46.3Very low8 Ų880.3 Ų80.34%0.04145%0.452CS..Hα-helixtrans-51.3-38.6174.1-62.9165.4000111P417 S424 A425 I445 Y626P417-I421 PolarHBondContact O-N 3.41Å; I421-S424 PolarHBondContact O-OG 3.18Å; I421-S424 VanDerWaalsContact O-OG 3.1Å; I421-A425 WeakPolarHBondContact O-CB 3.11Å; I421-A425 PolarHBondContact O-N 3.02Å; I421-I445 HydrophobicContact CD1-CB 3.93Å; I421-I445 HydrophobicContact CD1-CD1 3.8Å; I421-I445 HydrophobicContact CD1-CG1 4.48Å; I421-I445 HydrophobicContact CD1-CG2 3.74Å; I421-I445 HydrophobicContact CG1-CD1 3.75Å; I421-Y626 HydrophobicContact CD1-CD1 3.8Å; I421-Y626 HydrophobicContact CD1-CE1 3.67Å; I421-Y626 HydrophobicContact CG2-CD1 4.34Å
422I53.8Low47Very low9 Ų980.3 Ų80.35%0.04645%0.453CS..Hα-helixtrans-78.8-29.3-175.9-71.6-178.3000111.9S418 H419 F420 L426 I629 L699 H702S418-I422 WeakPolarHBondContact O-CD1 3.08Å; S418-I422 WeakPolarHBondContact O-CG1 3.05Å; H419-I422 PolarHBondContact O-N 2.94Å; F420-I422 PolarHBondContact O-N 3.08Å; F420-I422 VanDerWaalsContact O-N 3.12Å; I422-L426 HydrophobicContact CG2-CD1 4.08Å; I422-L426 WeakPolarHBondContact O-CB 3.5Å; I422-L426 VanDerWaalsContact O-CD1 3.29Å; I422-L426 WeakPolarHBondContact O-CD1 3.36Å; I422-L426 WeakPolarHBondContact O-CG 3.25Å; I422-I629 HydrophobicContact CD1-CD1 4.07Å; I422-I629 HydrophobicContact CG1-CD1 4.23Å; I422-L699 HydrophobicContact CD1-CD1 3.48Å; I422-L699 VanDerWaalsContact CD1-CD1 3.48Å; I422-L699 HydrophobicContact CD1-CG 3.61Å; I422-H702 HydrophobicContact CG2-CB 3.16Å; I422-H702 VanDerWaalsContact CG2-CG 3.47Å
423L54.7Low47.6Very low75 Ų7580 Ų8039%0.39345%0.451SS..Hα-helixtrans-76.2-39.2173.7-74.6168000112H419 F420 L426 K427H419-L423 VanDerWaalsContact O-CG 3.32Å; H419-L423 WeakPolarHBondContact O-CG 3.27Å; H419-L423 PolarHBondContact O-N 2.91Å; F420-L423 PolarHBondContact O-N 3.37Å; L423-L426 PolarHBondContact O-N 3.34Å; L423-K427 PolarHBondContact O-N 3.11Å
424S55.6Low48.4Very low28 Ų2881 Ų8120%0.19645%0.448CS..Hα-helixtrans-67.5-40.4174.157.10000111.9F420 I421 L426F420-S424 PolarHBondContact O-N 3Å; F420-S424 PolarHBondContact O-OG 3.44Å; I421-S424 PolarHBondContact O-OG 3.18Å; I421-S424 VanDerWaalsContact O-OG 3.1Å; S424-L426 PolarHBondContact O-N 3.44Å; S424-L426 VanDerWaalsContact O-N 3.1Å
425A53.2Low49Very low23 Ų2380.7 Ų80.719%0.1944%0.436CS..THydrogen-bonded Turntrans-65.5-7.4174.400000115.4I421 I629 A633I421-A425 WeakPolarHBondContact O-CB 3.11Å; I421-A425 PolarHBondContact O-N 3.02Å; A425-I629 HydrophobicContact CB-CG2 4.47Å; A425-A633 HydrophobicContact CB-CB 3.96Å
426L52.5Low49.3Very low26 Ų2686.2 Ų86.214%0.13646%0.456CS..THydrogen-bonded Turntrans-123.62.9-174.8-70.8178.6000114.4I422 L423 S424 H702 K705 L706I422-L426 HydrophobicContact CG2-CD1 4.08Å; I422-L426 WeakPolarHBondContact O-CB 3.5Å; I422-L426 VanDerWaalsContact O-CD1 3.29Å; I422-L426 WeakPolarHBondContact O-CD1 3.36Å; I422-L426 WeakPolarHBondContact O-CG 3.25Å; L423-L426 PolarHBondContact O-N 3.34Å; S424-L426 PolarHBondContact O-N 3.44Å; S424-L426 VanDerWaalsContact O-N 3.1Å; L426-H702 HydrophobicContact CD1-CB 3.68Å; L426-K705 HydrophobicContact CD1-CB 4.11Å; L426-K705 HydrophobicContact CD1-CD 4.09Å; L426-K705 HydrophobicContact CD2-CB 4.05Å; L426-L706 HydrophobicContact CD2-CB 3.89Å; L426-L706 HydrophobicContact CD2-CD1 3.8Å; L426-L706 HydrophobicContact CD2-CG 4.46Å
427K55.6Low49.1Very low146 Ų14687.9 Ų87.964%0.63546%0.464SS*.  trans-79.3124.1177.1-142.6-179.1177.5-164.60108.6L423L423-K427 PolarHBondContact O-N 3.11Å
428N45.1Very low49Very low101 Ų10186.9 Ų86.954%0.5446%0.455SS..  trans-81.4150.8178.6-64.3-33.1000110.9D430 Q709N428-D430 PolarHBondContact O-N 2.86Å; N428-Q709 PolarHBondContact OD1-NE2 2.74Å
429D42.6Very low49Very low104 Ų10490.3 Ų90.356%0.55648%0.476SS*.SBendtrans-71.740.7-173.9-45.1-57.5000115.5
430D43Very low49Very low143 Ų14392.1 Ų92.177%0.76549%0.492SS*.  trans-99.7-5.2-174.9-75.9-46.1000114.9N428N428-D430 PolarHBondContact O-N 2.86Å
431D40.5Very low48.9Very low153 Ų15391.1 Ų91.182%0.81849%0.491SS*.SBendtrans-118.3105.1171.8-73.7-53.4000110D433D431-D433 PolarHBondContact O-N 2.85Å
432D39.1Very low49.2Very low154 Ų15491.4 Ų91.482%0.82449%0.493SS*.  trans-69.7119170.9-67.9-64.8000110.4
433D43.5Very low49.9Very low162 Ų16297 Ų9787%0.86652%0.517SS*.SBendtrans171.6-19.9138.7-92.9-21.8000115.5D431D431-D433 PolarHBondContact O-N 2.85Å
434D43.3Very low50.6Low133 Ų13396.9 Ų96.971%0.71152%0.52SS*.  trans-12177-172.7-89.7-52.1000114.5
435D46.9Very low51.3Low115 Ų11596.5 Ų96.562%0.61552%0.515SS*.  trans-97.5-19.1-173.3-148.9-12.9000115.1K637D435-K637 IonicContact OD1-NZ 3.57Å; D435-K637 PolarHBondContact OD1-NZ 3.33Å; D435-K637 IonicContact OD2-NZ 3.78Å
436E45.9Very low52.4Low176 Ų17696.5 Ų96.582%0.82251%0.512SS*.SBendtrans-89.2-22-175.3-72-163.9139.600115.3T439E436-T439 PolarHBondContact O-OG1 2.91Å
437T46.9Very low53.6Low84 Ų8499.7 Ų99.752%0.51553%0.527SS..Hα-helixtrans-82.9-45.8-167.548.60000113.5T439 S440T437-T439 PolarHBondContact O-N 3.44Å; T437-S440 WeakPolarHBondContact O-CB 3.41Å; T437-S440 PolarHBondContact O-N 3.07Å
438D49.7Very low54.7Low48 Ų4894.3 Ų94.326%0.25751%0.507SS..Hα-helixtrans-71-28.6-176.3-90.3-19.9000113.2
439T51.7Low56.5Low82 Ų8289.5 Ų89.550%0.50348%0.482SS..Hα-helixtrans-73.4-31.6176.250.20000112.8E436 T437 L441E436-T439 PolarHBondContact O-OG1 2.91Å; T437-T439 PolarHBondContact O-N 3.44Å; T439-L441 VanDerWaalsContact C-N 3.34Å; T439-L441 PolarHBondContact O-N 2.81Å
440S53.7Low58.5Low72 Ų7289.5 Ų89.550%0.50348%0.478SS..Hα-helixtrans-61.1-41173.4-177.40000112.5T437 T444T437-S440 WeakPolarHBondContact O-CB 3.41Å; T437-S440 PolarHBondContact O-N 3.07Å; S440-T444 PolarHBondContact O-N 3.23Å; S440-T444 VanDerWaalsContact O-N 3.15Å; S440-T444 PolarHBondContact O-OG1 2.91Å
441L55.3Low60.6Low71 Ų7188.2 Ų88.237%0.37247%0.471SS..Hα-helixtrans-74.7-39.3-173.1-163.570.3000113.3F420 T439 K443 T444 I445F420-L441 HydrophobicContact CD1-CD2 3.58Å; F420-L441 HydrophobicContact CE1-CD2 3.62Å; F420-L441 HydrophobicContact CG-CD2 4.28Å; F420-L441 HydrophobicContact CZ-CD2 4.35Å; T439-L441 VanDerWaalsContact C-N 3.34Å; T439-L441 PolarHBondContact O-N 2.81Å; L441-K443 VanDerWaalsContact C-N 3.32Å; L441-K443 PolarHBondContact O-N 3.1Å; L441-T444 PolarHBondContact O-N 2.9Å; L441-I445 HydrophobicContact CG-CD1 4.29Å; L441-I445 PolarHBondContact O-N 2.83Å
442S61.5Low62.9Low14 Ų1481.6 Ų81.610%0.09844%0.435CS..Hα-helixtrans-55.5-49.4174.5-172.70000110.8T444 I445 L446 D630S442-T444 PolarHBondContact O-N 3.39Å; S442-I445 PolarHBondContact O-N 2.64Å; S442-L446 PolarHBondContact O-N 3.01Å; S442-L446 VanDerWaalsContact O-N 3.09Å; S442-D630 PolarHBondContact OG-OD1 3.24Å
443K67.8Low65.3Low126 Ų12674.6 Ų74.655%0.54840%0.399SS..Hα-helixtrans-61-42.4179.6-171.4171.9-177.2-72.80112.4L441 I445 L446 E447L441-K443 VanDerWaalsContact C-N 3.32Å; L441-K443 PolarHBondContact O-N 3.1Å; K443-I445 VanDerWaalsContact C-N 3.32Å; K443-I445 PolarHBondContact O-N 2.69Å; K443-L446 PolarHBondContact O-N 2.87Å; K443-E447 IonicContact NZ-OE1 3.55Å; K443-E447 PolarHBondContact NZ-OE1 3.17Å; K443-E447 WeakPolarHBondContact O-CG 3.49Å; K443-E447 PolarHBondContact O-N 2.99Å
444T70.1Confident67.5Low73 Ų7370.4 Ų70.445%0.44838%0.381SS..Hα-helixtrans-62.9-36.7179.4-58.80000112.3S440 L441 S442 S448S440-T444 PolarHBondContact O-N 3.23Å; S440-T444 VanDerWaalsContact O-N 3.15Å; S440-T444 PolarHBondContact O-OG1 2.91Å; L441-T444 PolarHBondContact O-N 2.9Å; S442-T444 PolarHBondContact O-N 3.39Å; T444-S448 PolarHBondContact O-N 2.83Å
445I69.1Low69.9Low20 Ų2070.2 Ų70.210%0.10337%0.37CS..Hα-helixtrans-78.2-34.4179.3-59.5164.7000111.5Y368 P417 I421 L441 S442 K443 S448 L449Y368-I445 HydrophobicContact CD1-CG2 4.47Å; Y368-I445 HydrophobicContact CE1-CG2 4.31Å; P417-I445 HydrophobicContact CB-CD1 4.28Å; I421-I445 HydrophobicContact CD1-CB 3.93Å; I421-I445 HydrophobicContact CD1-CD1 3.8Å; I421-I445 HydrophobicContact CD1-CG1 4.48Å; I421-I445 HydrophobicContact CD1-CG2 3.74Å; I421-I445 HydrophobicContact CG1-CD1 3.75Å; L441-I445 HydrophobicContact CG-CD1 4.29Å; L441-I445 PolarHBondContact O-N 2.83Å; S442-I445 PolarHBondContact O-N 2.64Å; K443-I445 VanDerWaalsContact C-N 3.32Å; K443-I445 PolarHBondContact O-N 2.69Å; I445-S448 PolarHBondContact O-N 3.21Å; I445-S448 PolarHBondContact O-OG 3.19Å; I445-S448 VanDerWaalsContact O-OG 3.05Å; I445-L449 HydrophobicContact CG2-CD1 4.28Å; I445-L449 WeakPolarHBondContact O-CG 3.41Å; I445-L449 PolarHBondContact O-N 2.8Å
446L75.6Confident72Confident24 Ų2464.8 Ų64.813%0.12634%0.341CS..Hα-helixtrans-60.7-47.2169.5-85.6163.7000111.2S442 K443 S448 L449 E450 L623 D630S442-L446 PolarHBondContact O-N 3.01Å; S442-L446 VanDerWaalsContact O-N 3.09Å; K443-L446 PolarHBondContact O-N 2.87Å; L446-S448 VanDerWaalsContact C-N 3.3Å; L446-S448 PolarHBondContact O-N 3.05Å; L446-L449 PolarHBondContact O-N 3.02Å; L446-E450 WeakPolarHBondContact O-CG 3.33Å; L446-E450 PolarHBondContact O-N 3.43Å; L446-L623 HydrophobicContact CD2-CD1 4.04Å; L446-D630 HydrophobicContact CD1-CB 4.02Å
447E78.3Confident74.1Confident93 Ų9359.6 Ų59.644%0.43532%0.318SS..Hα-helixtrans-59.5-37175.5-73.3174.5-175.800112.7K443 L451K443-E447 IonicContact NZ-OE1 3.55Å; K443-E447 PolarHBondContact NZ-OE1 3.17Å; K443-E447 WeakPolarHBondContact O-CG 3.49Å; K443-E447 PolarHBondContact O-N 2.99Å; E447-L451 WeakPolarHBondContact O-CB 3.5Å; E447-L451 PolarHBondContact O-N 3.39Å
448S79.2Confident76.2Confident33 Ų3361.7 Ų61.723%0.23132%0.322CS..Hα-helixtrans-71.6-35.7177.481.80000113Y368 T444 I445 L446 L452Y368-S448 WeakPolarHBondContact CE1-OG 3.48Å; Y368-S448 PolarHBondContact OH-OG 3Å; T444-S448 PolarHBondContact O-N 2.83Å; I445-S448 PolarHBondContact O-N 3.21Å; I445-S448 PolarHBondContact O-OG 3.19Å; I445-S448 VanDerWaalsContact O-OG 3.05Å; L446-S448 VanDerWaalsContact C-N 3.3Å; L446-S448 PolarHBondContact O-N 3.05Å; S448-L452 WeakPolarHBondContact O-CB 3.28Å; S448-L452 PolarHBondContact O-N 3.06Å
449L83.7Confident78.2Confident0 Ų059.8 Ų59.80%031%0.313CS..Hα-helixtrans-70.6-39.1174.2-75.1171.4000112.4Y368 I445 L446 L452 S453 L622 L623 Y626Y368-L449 HydrophobicContact CD1-CD2 3.6Å; Y368-L449 HydrophobicContact CD1-CG 4.03Å; Y368-L449 HydrophobicContact CD2-CD2 4.37Å; Y368-L449 HydrophobicContact CE1-CD2 4.18Å; Y368-L449 HydrophobicContact CE1-CG 4.32Å; Y368-L449 HydrophobicContact CG-CD2 3.7Å; I445-L449 HydrophobicContact CG2-CD1 4.28Å; I445-L449 WeakPolarHBondContact O-CG 3.41Å; I445-L449 PolarHBondContact O-N 2.8Å; L446-L449 PolarHBondContact O-N 3.02Å; L449-L452 PolarHBondContact O-N 3.35Å; L449-S453 VanDerWaalsContact O-CB 3.23Å; L449-S453 WeakPolarHBondContact O-CB 3Å; L449-S453 PolarHBondContact O-N 2.71Å; L449-L622 HydrophobicContact CD2-CD2 3.94Å; L449-L623 HydrophobicContact CB-CD1 4.2Å; L449-Y626 HydrophobicContact CD1-CD2 3.35Å; L449-Y626 HydrophobicContact CD1-CE2 3.64Å; L449-Y626 HydrophobicContact CD1-CG 4.27Å
450E84.7Confident80.1Confident103 Ų10358.2 Ų58.248%0.48130%0.3SS..Hα-helixtrans-61.3-46.5172.5-73.5-179177.300111.2L446 L452 S453 C454 L623L446-E450 WeakPolarHBondContact O-CG 3.33Å; L446-E450 PolarHBondContact O-N 3.43Å; E450-L452 PolarHBondContact O-N 2.65Å; E450-S453 WeakPolarHBondContact O-CB 3.42Å; E450-S453 PolarHBondContact O-N 2.96Å; E450-C454 PolarHBondContact O-N 2.82Å; E450-C454 PolarHBondContact O-SG 2.98Å; E450-C454 VanDerWaalsContact O-SG 3.4Å; E450-L623 HydrophobicContact CG-CD1 3.86Å; E450-L623 HydrophobicContact CG-CD2 4.29Å
451L87.1Confident81.8Confident117 Ų11756.8 Ų56.861%0.61329%0.293SS*.Hα-helixtrans-62-43.2177.7-179.261.9000112.5E447 R455E447-L451 WeakPolarHBondContact O-CB 3.5Å; E447-L451 PolarHBondContact O-N 3.39Å; L451-R455 WeakPolarHBondContact O-CG 3.41Å; L451-R455 PolarHBondContact O-N 3.02Å
452L88.5Confident83.5Confident14 Ų1456 Ų567%0.07329%0.291CS..Hα-helixtrans-68.3-36.7176.8-17761.7000111.5L361 S364 L365 Y368 S448 L449 E450 R455 I456 I619L361-L452 HydrophobicContact CD1-CD1 3.84Å; S364-L452 WeakPolarHBondContact O-CD2 3.42Å; L365-L452 HydrophobicContact CB-CD2 4.4Å; L365-L452 HydrophobicContact CD1-CD2 4.5Å; Y368-L452 HydrophobicContact CD2-CD2 4.12Å; Y368-L452 HydrophobicContact CE2-CD2 4.04Å; S448-L452 WeakPolarHBondContact O-CB 3.28Å; S448-L452 PolarHBondContact O-N 3.06Å; L449-L452 PolarHBondContact O-N 3.35Å; E450-L452 PolarHBondContact O-N 2.65Å; L452-R455 PolarHBondContact O-N 3.17Å; L452-I456 HydrophobicContact CD1-CD1 4.12Å; L452-I456 HydrophobicContact CD1-CG1 4.33Å; L452-I456 HydrophobicContact CG-CD1 3.91Å; L452-I456 HydrophobicContact CG-CG1 4.49Å; L452-I456 WeakPolarHBondContact O-CG1 3.26Å; L452-I456 PolarHBondContact O-N 3Å; L452-I619 HydrophobicContact CB-CD1 3.7Å; L452-I619 HydrophobicContact CD2-CD1 3.8Å; L452-I619 HydrophobicContact CG-CD1 3.54Å
453S89.8Confident84.9Confident7 Ų755.3 Ų55.35%0.04929%0.287CS..Hα-helixtrans-61.8-48.1176.4-172.20000111.3L449 E450 R455 I456 L457 I619L449-S453 VanDerWaalsContact O-CB 3.23Å; L449-S453 WeakPolarHBondContact O-CB 3Å; L449-S453 PolarHBondContact O-N 2.71Å; E450-S453 WeakPolarHBondContact O-CB 3.42Å; E450-S453 PolarHBondContact O-N 2.96Å; S453-R455 VanDerWaalsContact C-N 3.32Å; S453-R455 PolarHBondContact O-N 3.38Å; S453-I456 PolarHBondContact O-N 3.48Å; S453-L457 WeakPolarHBondContact O-CB 3.25Å; S453-L457 VanDerWaalsContact O-CG 3.3Å; S453-L457 WeakPolarHBondContact O-CG 3.07Å; S453-L457 PolarHBondContact O-N 2.87Å; S453-I619 VanDerWaalsContact N-CD1 3.32Å
454C89.7Confident85.9Confident73 Ų7352.1 Ų52.149%0.49328%0.275SS..Hα-helixtrans-53.1-48173.8-730000112E450 L457 E458E450-C454 PolarHBondContact O-N 2.82Å; E450-C454 PolarHBondContact O-SG 2.98Å; E450-C454 VanDerWaalsContact O-SG 3.4Å; C454-L457 PolarHBondContact O-N 3.29Å; C454-E458 WeakPolarHBondContact O-CB 3.28Å; C454-E458 WeakPolarHBondContact O-CG 3.36Å; C454-E458 PolarHBondContact O-N 3.43Å
455R91.9Very high86.8Confident130 Ų13058 Ų5849%0.49129%0.289SS..Hα-helixtrans-67.7-37.9-179.4-67.2-177.570-160.4-1.7113.2L361 L451 L452 S453 E458 A459L361-R455 HydrophobicContact CD1-CB 3.73Å; L361-R455 WeakPolarHBondContact CD2-O 3.38Å; L451-R455 WeakPolarHBondContact O-CG 3.41Å; L451-R455 PolarHBondContact O-N 3.02Å; L452-R455 PolarHBondContact O-N 3.17Å; S453-R455 VanDerWaalsContact C-N 3.32Å; S453-R455 PolarHBondContact O-N 3.38Å; R455-E458 PolarHBondContact O-N 3.46Å; R455-A459 WeakPolarHBondContact O-CB 3.43Å; R455-A459 PolarHBondContact O-N 2.77Å
456I91.1Very high87.9Confident0 Ų058.9 Ų58.90%029%0.294CS..Hα-helixtrans-66.5-41.9176.1-71.8173.1000110.6L361 L365 L452 S453 A459 E460 A615 A616 I619L361-I456 HydrophobicContact CD1-CG1 4.32Å; L361-I456 HydrophobicContact CD2-CG1 3.98Å; L361-I456 HydrophobicContact CG-CG1 3.82Å; L365-I456 HydrophobicContact CB-CD1 4.28Å; L365-I456 HydrophobicContact CD2-CD1 4.27Å; L452-I456 HydrophobicContact CD1-CD1 4.12Å; L452-I456 HydrophobicContact CD1-CG1 4.33Å; L452-I456 HydrophobicContact CG-CD1 3.91Å; L452-I456 HydrophobicContact CG-CG1 4.49Å; L452-I456 WeakPolarHBondContact O-CG1 3.26Å; L452-I456 PolarHBondContact O-N 3Å; S453-I456 PolarHBondContact O-N 3.48Å; I456-A459 PolarHBondContact O-N 3.09Å; I456-E460 WeakPolarHBondContact O-CB 3.27Å; I456-E460 PolarHBondContact O-N 3.4Å; I456-A615 HydrophobicContact CD1-CB 4.38Å; I456-A615 HydrophobicContact CG2-CB 4Å; I456-A616 HydrophobicContact CG2-CB 4.03Å; I456-I619 HydrophobicContact CD1-CB 4.43Å; I456-I619 HydrophobicContact CD1-CD1 4Å; I456-I619 HydrophobicContact CD1-CG2 4.23Å; I456-I619 HydrophobicContact CG2-CG2 4.38Å
457L90.9Very high88.5Confident67 Ų6759.1 Ų59.135%0.35130%0.295SS..Hα-helixtrans-67.5-36.5175.9-68.5167.9000112.5S453 C454 A461 A616S453-L457 WeakPolarHBondContact O-CB 3.25Å; S453-L457 VanDerWaalsContact O-CG 3.3Å; S453-L457 WeakPolarHBondContact O-CG 3.07Å; S453-L457 PolarHBondContact O-N 2.87Å; C454-L457 PolarHBondContact O-N 3.29Å; L457-A461 VanDerWaalsContact O-CB 3.26Å; L457-A461 WeakPolarHBondContact O-CB 3.46Å; L457-A461 PolarHBondContact O-N 2.73Å; L457-A616 HydrophobicContact CD2-CB 4.2Å
458E90.8Very high88.8Confident128 Ų12858.8 Ų58.860%0.59830%0.3SS*.Hα-helixtrans-63.1-42.3170.6-77.6178.3167.400112.2C454 R455 T462C454-E458 WeakPolarHBondContact O-CB 3.28Å; C454-E458 WeakPolarHBondContact O-CG 3.36Å; C454-E458 PolarHBondContact O-N 3.43Å; R455-E458 PolarHBondContact O-N 3.46Å; E458-T462 WeakPolarHBondContact O-CB 3.34Å; E458-T462 PolarHBondContact O-N 3.41Å; E458-T462 PolarHBondContact O-OG1 3.14Å
459A91.9Very high89.3Confident8 Ų860.5 Ų60.57%0.06630%0.301CS..Hα-helixtrans-65.6-45.217600000111.4L361 R455 I456 A461 T462 G463 L612L361-A459 HydrophobicContact CD2-CB 3.55Å; R455-A459 WeakPolarHBondContact O-CB 3.43Å; R455-A459 PolarHBondContact O-N 2.77Å; I456-A459 PolarHBondContact O-N 3.09Å; A459-A461 PolarHBondContact O-N 2.92Å; A459-T462 WeakPolarHBondContact O-CB 3.47Å; A459-T462 PolarHBondContact O-N 3.23Å; A459-T462 VanDerWaalsContact O-N 3.14Å; A459-G463 PolarHBondContact O-N 3.39Å; A459-L612 HydrophobicContact CB-CD1 4.1Å; A459-L612 HydrophobicContact CB-CD2 3.7Å
460E91.3Very high89.6Confident49 Ų4960.5 Ų60.523%0.22930%0.301CS..Hα-helixtrans-60.6-44.7175.7-162-151.8154.800111.6I456 T462 G463 N464 L612 P613 A616I456-E460 WeakPolarHBondContact O-CB 3.27Å; I456-E460 PolarHBondContact O-N 3.4Å; E460-T462 VanDerWaalsContact C-N 3.27Å; E460-T462 PolarHBondContact O-N 3.02Å; E460-G463 PolarHBondContact O-N 3.42Å; E460-N464 WeakPolarHBondContact O-CB 3.44Å; E460-N464 PolarHBondContact O-N 3.05Å; E460-N464 PolarHBondContact O-ND2 3Å; E460-L612 HydrophobicContact CB-CB 4.38Å; E460-L612 HydrophobicContact CG-CB 4.42Å; E460-P613 HydrophobicContact CG-CG 4.15Å; E460-A616 VanDerWaalsContact OE2-CB 3.31Å; E460-A616 WeakPolarHBondContact OE2-CB 3.35Å
461A90.1Very high89.8Confident42 Ų4260.8 Ų60.835%0.34730%0.301SS..Hα-helixtrans-63.5-32.9175.300000112.4L457 A459 R465L457-A461 VanDerWaalsContact O-CB 3.26Å; L457-A461 WeakPolarHBondContact O-CB 3.46Å; L457-A461 PolarHBondContact O-N 2.73Å; A459-A461 PolarHBondContact O-N 2.92Å; A461-R465 WeakPolarHBondContact O-CD 3.33Å; A461-R465 VanDerWaalsContact O-CG 3.23Å; A461-R465 WeakPolarHBondContact O-CG 3.24Å; A461-R465 PolarHBondContact O-N 3.43Å
462T90.8Very high89.7Confident55 Ų5559.2 Ų59.234%0.33729%0.29SS..Hα-helixtrans-74.2-43.4176-570000111.4W358 E458 A459 E460 R465 L466W358-T462 HydrophobicContact CZ2-CG2 4.17Å; E458-T462 WeakPolarHBondContact O-CB 3.34Å; E458-T462 PolarHBondContact O-N 3.41Å; E458-T462 PolarHBondContact O-OG1 3.14Å; A459-T462 WeakPolarHBondContact O-CB 3.47Å; A459-T462 PolarHBondContact O-N 3.23Å; A459-T462 VanDerWaalsContact O-N 3.14Å; E460-T462 VanDerWaalsContact C-N 3.27Å; E460-T462 PolarHBondContact O-N 3.02Å; T462-R465 PolarHBondContact O-N 3.03Å; T462-L466 HydrophobicContact CG2-CD1 3.9Å; T462-L466 HydrophobicContact CG2-CG 4.5Å; T462-L466 WeakPolarHBondContact O-CG 3.43Å; T462-L466 PolarHBondContact O-N 3.35Å
463G91Very high89.7Confident0 Ų058.5 Ų58.50%029%0.287CS..Hα-helixtrans-58-48.4173.300000112.3A459 E460 R465 L466 L467A459-G463 PolarHBondContact O-N 3.39Å; E460-G463 PolarHBondContact O-N 3.42Å; G463-R465 VanDerWaalsContact C-N 3.29Å; G463-R465 PolarHBondContact O-N 3Å; G463-L466 PolarHBondContact O-N 3.43Å; G463-L466 VanDerWaalsContact O-N 3.12Å; G463-L467 WeakPolarHBondContact O-CB 3.46Å; G463-L467 PolarHBondContact O-N 3.17Å
464N89Confident89.7Confident59 Ų5959.3 Ų59.332%0.31629%0.291SS..Hα-helixtrans-59.4-34.4175.6-83.2-67.2000113.4E460 I1099E460-N464 WeakPolarHBondContact O-CB 3.44Å; E460-N464 PolarHBondContact O-N 3.05Å; E460-N464 PolarHBondContact O-ND2 3Å; N464-I1099 HydrophobicContact CB-CD1 4.49Å
465R89.2Confident89.5Confident195 Ų19562 Ų6274%0.73629%0.294SS*.Hα-helixtrans-71.7-37.4174.2-73167.9-175.6-174.83.6112.7A461 T462 G463A461-R465 WeakPolarHBondContact O-CD 3.33Å; A461-R465 VanDerWaalsContact O-CG 3.23Å; A461-R465 WeakPolarHBondContact O-CG 3.24Å; A461-R465 PolarHBondContact O-N 3.43Å; T462-R465 PolarHBondContact O-N 3.03Å; G463-R465 VanDerWaalsContact C-N 3.29Å; G463-R465 PolarHBondContact O-N 3Å
466L90.6Very high89.1Confident39 Ų3956.7 Ų56.720%0.20428%0.275CS..Hα-helixtrans-83.6-20.8-176.4-70.1171.6000113.9F351 L354 W358 T462 G463 T468 R469 L470F351-L466 HydrophobicContact CE1-CD1 3.94Å; F351-L466 HydrophobicContact CE1-CD2 4.01Å; F351-L466 HydrophobicContact CZ-CD2 4.18Å; L354-L466 HydrophobicContact CD2-CD1 3.53Å; W358-L466 HydrophobicContact CH2-CD1 4.09Å; W358-L466 HydrophobicContact CZ2-CD1 4.19Å; T462-L466 HydrophobicContact CG2-CD1 3.9Å; T462-L466 HydrophobicContact CG2-CG 4.5Å; T462-L466 WeakPolarHBondContact O-CG 3.43Å; T462-L466 PolarHBondContact O-N 3.35Å; G463-L466 PolarHBondContact O-N 3.43Å; G463-L466 VanDerWaalsContact O-N 3.12Å; L466-T468 PolarHBondContact O-N 3.13Å; L466-R469 PolarHBondContact O-N 2.98Å; L466-L470 HydrophobicContact CB-CD1 3.98Å; L466-L470 HydrophobicContact CB-CG 4.26Å; L466-L470 PolarHBondContact O-N 3.01Å
467L89.7Confident88.9Confident29 Ų2956.7 Ų56.715%0.15228%0.275CS..Hα-helixtrans-52-36.6-170.2-171.763.1000114.5G463 K471 I605 A608G463-L467 WeakPolarHBondContact O-CB 3.46Å; G463-L467 PolarHBondContact O-N 3.17Å; L467-K471 HydrophobicContact CG-CD 4.38Å; L467-K471 WeakPolarHBondContact O-CD 3.41Å; L467-K471 VanDerWaalsContact O-CG 3.28Å; L467-K471 WeakPolarHBondContact O-CG 3.42Å; L467-K471 PolarHBondContact O-N 3.41Å; L467-I605 HydrophobicContact CD1-CB 4.46Å; L467-I605 HydrophobicContact CD1-CG1 4.43Å; L467-I605 HydrophobicContact CD1-CG2 4.03Å; L467-A608 HydrophobicContact CD1-CB 4.39Å
468T84.7Confident88.6Confident87 Ų8754.9 Ų54.953%0.53427%0.268SS..Hα-helixtrans-67.8-46.2175.6-54.70000111.7L466 K471 E472L466-T468 PolarHBondContact O-N 3.13Å; T468-K471 PolarHBondContact O-N 3.37Å; T468-E472 PolarHBondContact O-N 3.42Å
469R88.1Confident88.2Confident69 Ų6950.7 Ų50.726%0.2625%0.25SC..Hα-helixtrans-68.2-38179.5179.855.9-178178.61111.8D343 Q347 L466 K471 E472 L473D343-R469 IonicContact OD2-NH2 3.74Å; D343-R469 PolarHBondContact OD2-NH2 3.26Å; Q347-R469 VanDerWaalsContact NE2-NH2 3.11Å; L466-R469 PolarHBondContact O-N 2.98Å; R469-K471 VanDerWaalsContact C-N 3.29Å; R469-K471 PolarHBondContact O-N 2.7Å; R469-E472 VanDerWaalsContact CD-OE2 3.26Å; R469-E472 WeakPolarHBondContact CD-OE2 3.48Å; R469-E472 IonicContact CZ-OE2 3.4Å; R469-E472 IonicContact NE-OE2 3.37Å; R469-E472 IonicContact NH1-OE2 2.76Å; R469-E472 PolarHBondContact NH1-OE2 3.14Å; R469-E472 WeakPolarHBondContact O-CB 3.49Å; R469-E472 PolarHBondContact O-N 2.95Å; R469-L473 HydrophobicContact CG-CD1 4.01Å; R469-L473 HydrophobicContact CG-CG 4.44Å; R469-L473 WeakPolarHBondContact O-CB 3.32Å; R469-L473 VanDerWaalsContact O-CG 3.32Å; R469-L473 WeakPolarHBondContact O-CG 3.3Å; R469-L473 PolarHBondContact O-N 2.89Å
470L90.1Very high87.7Confident0 Ų050.3 Ų50.30%025%0.247CC..Hα-helixtrans-61.3-37.9173.9-67.6168.4000111.7F351 L466 L473 D474 M604 I605F351-L470 HydrophobicContact CD1-CD2 4.18Å; F351-L470 HydrophobicContact CD2-CD2 4.16Å; F351-L470 HydrophobicContact CE1-CD2 4.3Å; F351-L470 HydrophobicContact CE2-CD2 4.29Å; F351-L470 HydrophobicContact CG-CD2 4.13Å; F351-L470 HydrophobicContact CZ-CD2 4.36Å; L466-L470 HydrophobicContact CB-CD1 3.98Å; L466-L470 HydrophobicContact CB-CG 4.26Å; L466-L470 PolarHBondContact O-N 3.01Å; L470-L473 PolarHBondContact O-N 3.14Å; L470-D474 PolarHBondContact O-N 2.83Å; L470-M604 HydrophobicContact CD1-CB 3.98Å; L470-M604 HydrophobicContact CD1-CE 4.48Å; L470-M604 HydrophobicContact CD2-CB 3.8Å; L470-M604 HydrophobicContact CD2-CE 4.4Å; L470-M604 HydrophobicContact CD2-CG 4.45Å; L470-M604 HydrophobicContact CG-CB 4.47Å; L470-I605 HydrophobicContact CB-CD1 4.42Å; L470-I605 HydrophobicContact CB-CG1 3.78Å
471K89.2Confident87.1Confident109 Ų10949.7 Ų49.747%0.47425%0.245SC..Hα-helixtrans-70.9-32.9174.6-73.2170.5-178.8176.20113.5L467 T468 R469 K475 I605L467-K471 HydrophobicContact CG-CD 4.38Å; L467-K471 WeakPolarHBondContact O-CD 3.41Å; L467-K471 VanDerWaalsContact O-CG 3.28Å; L467-K471 WeakPolarHBondContact O-CG 3.42Å; L467-K471 PolarHBondContact O-N 3.41Å; T468-K471 PolarHBondContact O-N 3.37Å; R469-K471 VanDerWaalsContact C-N 3.29Å; R469-K471 PolarHBondContact O-N 2.7Å; K471-K475 WeakPolarHBondContact O-CB 3.38Å; K471-K475 PolarHBondContact O-N 3.12Å; K471-I605 HydrophobicContact CB-CD1 4.5Å; K471-I605 HydrophobicContact CG-CD1 3.7Å; K471-I605 HydrophobicContact CG-CG1 4.11Å
472E85.8Confident86.4Confident83 Ų8352.2 Ų52.239%0.38825%0.252SS..Hα-helixtrans-63-48.5167.7-68.8176.7175.800111T468 R469 K475 I476T468-E472 PolarHBondContact O-N 3.42Å; R469-E472 VanDerWaalsContact CD-OE2 3.26Å; R469-E472 WeakPolarHBondContact CD-OE2 3.48Å; R469-E472 IonicContact CZ-OE2 3.4Å; R469-E472 IonicContact NE-OE2 3.37Å; R469-E472 IonicContact NH1-OE2 2.76Å; R469-E472 PolarHBondContact NH1-OE2 3.14Å; R469-E472 WeakPolarHBondContact O-CB 3.49Å; R469-E472 PolarHBondContact O-N 2.95Å; E472-K475 WeakPolarHBondContact O-CB 3.27Å; E472-K475 PolarHBondContact O-N 2.9Å; E472-I476 WeakPolarHBondContact O-CD1 3.21Å; E472-I476 VanDerWaalsContact O-CG1 3.25Å; E472-I476 WeakPolarHBondContact O-CG1 3.48Å; E472-I476 PolarHBondContact O-N 3.08Å
473L88.3Confident85.5Confident0 Ų050.4 Ų50.40%024%0.239CC..Hα-helixtrans-64.6-43-177.3-74.8167.7000112.7V344 Q347 F351 R469 L470 K475 I476 A477 F601V344-L473 HydrophobicContact CG1-CD2 4.33Å; V344-L473 HydrophobicContact CG2-CD2 4.14Å; Q347-L473 HydrophobicContact CB-CD1 4.43Å; Q347-L473 HydrophobicContact CB-CD2 4.49Å; F351-L473 HydrophobicContact CD2-CD1 3.95Å; F351-L473 HydrophobicContact CE2-CD1 3.45Å; F351-L473 VanDerWaalsContact CE2-CD1 3.45Å; F351-L473 HydrophobicContact CZ-CD1 4.43Å; R469-L473 HydrophobicContact CG-CD1 4.01Å; R469-L473 HydrophobicContact CG-CG 4.44Å; R469-L473 WeakPolarHBondContact O-CB 3.32Å; R469-L473 VanDerWaalsContact O-CG 3.32Å; R469-L473 WeakPolarHBondContact O-CG 3.3Å; R469-L473 PolarHBondContact O-N 2.89Å; L470-L473 PolarHBondContact O-N 3.14Å; L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 PolarHBondContact O-N 3.25Å; L473-I476 PolarHBondContact O-N 3.13Å; L473-A477 WeakPolarHBondContact O-CB 3.43Å; L473-A477 PolarHBondContact O-N 3.48Å; L473-F601 HydrophobicContact CB-CD1 4.17Å; L473-F601 HydrophobicContact CB-CD2 3.66Å; L473-F601 HydrophobicContact CB-CE1 4.29Å; L473-F601 HydrophobicContact CB-CE2 3.78Å; L473-F601 HydrophobicContact CB-CG 3.88Å; L473-F601 HydrophobicContact CB-CZ 4.1Å; L473-F601 HydrophobicContact CD1-CD1 4.43Å; L473-F601 HydrophobicContact CD1-CE1 4.14Å; L473-F601 HydrophobicContact CD1-CZ 4.35Å; L473-F601 HydrophobicContact CD2-CE2 4.39Å; L473-F601 HydrophobicContact CD2-CZ 4.3Å; L473-F601 WeakPolarHBondContact O-CD2 3.48Å
474D89.3Confident84.5Confident24 Ų2451 Ų5113%0.12824%0.242CC..Hα-helixtrans-62.4-39174-178.243.6000111.9L470 S478 S598 F601 K602 I605L470-D474 PolarHBondContact O-N 2.83Å; D474-S478 WeakPolarHBondContact O-CB 3.38Å; D474-S478 PolarHBondContact O-N 3.48Å; D474-S478 PolarHBondContact O-OG 3Å; D474-S478 PolarHBondContact OD1-OG 3.17Å; D474-S598 WeakPolarHBondContact OD1-CB 3.16Å; D474-S598 PolarHBondContact OD1-OG 3.48Å; D474-F601 HydrophobicContact CB-CB 3.84Å; D474-K602 IonicContact OD1-NZ 3.9Å; D474-K602 PolarHBondContact OD1-NZ 2.59Å; D474-K602 WeakPolarHBondContact OD2-CE 3.45Å; D474-K602 WeakPolarHBondContact OD2-CG 3.45Å; D474-K602 IonicContact OD2-NZ 2.62Å; D474-K602 PolarHBondContact OD2-NZ 3.22Å; D474-I605 HydrophobicContact CB-CD1 4.1Å
475K85.9Confident83.7Confident129 Ų12951.7 Ų51.756%0.56125%0.245SC*.Hα-helixtrans-65.3-40.1174.4-175.2-177.7177.3-173.50111.9K471 E472 L473 N479K471-K475 WeakPolarHBondContact O-CB 3.38Å; K471-K475 PolarHBondContact O-N 3.12Å; E472-K475 WeakPolarHBondContact O-CB 3.27Å; E472-K475 PolarHBondContact O-N 2.9Å; L473-K475 VanDerWaalsContact C-N 3.31Å; L473-K475 PolarHBondContact O-N 3.25Å; K475-N479 WeakPolarHBondContact O-CB 3.32Å; K475-N479 PolarHBondContact O-N 2.88Å
476I84.4Confident82.4Confident18 Ų1845.3 Ų45.39%0.09223%0.226CC..Hα-helixtrans-64.7-50.1176.6-68.3158.3000110.5L340 V344 E472 L473 N479 F480 L522L340-I476 HydrophobicContact CD1-CG2 4.35Å; L340-I476 HydrophobicContact CD2-CG2 4.32Å; L340-I476 HydrophobicContact CG-CG2 4.45Å; V344-I476 HydrophobicContact CG2-CG2 3.74Å; E472-I476 WeakPolarHBondContact O-CD1 3.21Å; E472-I476 VanDerWaalsContact O-CG1 3.25Å; E472-I476 WeakPolarHBondContact O-CG1 3.48Å; E472-I476 PolarHBondContact O-N 3.08Å; L473-I476 PolarHBondContact O-N 3.13Å; I476-N479 PolarHBondContact O-N 3.43Å; I476-F480 HydrophobicContact CG2-CD2 3.67Å; I476-F480 HydrophobicContact CG2-CE2 3.46Å; I476-F480 VanDerWaalsContact CG2-CE2 3.46Å; I476-F480 VanDerWaalsContact O-CD2 3.29Å; I476-F480 WeakPolarHBondContact O-CD2 3.48Å; I476-F480 PolarHBondContact O-N 2.87Å; I476-L522 HydrophobicContact CB-CD2 4.1Å; I476-L522 HydrophobicContact CG1-CD2 3.79Å; I476-L522 HydrophobicContact CG2-CD2 4.27Å
477A86.5Confident81Confident0 Ų044.4 Ų44.40%022%0.221CC..Hα-helixtrans-61.9-43.3176.900000112.5L473 N479 F480 I481 W597 F601L473-A477 WeakPolarHBondContact O-CB 3.43Å; L473-A477 PolarHBondContact O-N 3.48Å; A477-N479 PolarHBondContact O-N 3.37Å; A477-F480 PolarHBondContact O-N 2.87Å; A477-I481 VanDerWaalsContact O-CG1 3.3Å; A477-I481 WeakPolarHBondContact O-CG1 3.38Å; A477-I481 PolarHBondContact O-N 3.32Å; A477-W597 HydrophobicContact CB-CB 3.68Å; A477-F601 HydrophobicContact CB-CD2 3.96Å; A477-F601 HydrophobicContact CB-CE2 4.11Å
478S84.7Confident79.5Confident30 Ų3045.2 Ų45.221%0.2123%0.227CC..Hα-helixtrans-61-43.7176.9-62.60000111.5D474 I481 L482 S598 K602D474-S478 WeakPolarHBondContact O-CB 3.38Å; D474-S478 PolarHBondContact O-N 3.48Å; D474-S478 PolarHBondContact O-OG 3Å; D474-S478 PolarHBondContact OD1-OG 3.17Å; S478-I481 PolarHBondContact O-N 2.8Å; S478-L482 WeakPolarHBondContact O-CG 3.23Å; S478-L482 PolarHBondContact O-N 3.05Å; S478-S598 PolarHBondContact OG-OG 3.33Å; S478-K602 PolarHBondContact OG-NZ 3.04Å
479N81.4Confident77.6Confident39 Ų3947.8 Ų47.821%0.20923%0.233CC..Hα-helixtrans-68.2-35.2176-74.2-1.4000112.6K475 I476 A477 F483 L522K475-N479 WeakPolarHBondContact O-CB 3.32Å; K475-N479 PolarHBondContact O-N 2.88Å; I476-N479 PolarHBondContact O-N 3.43Å; A477-N479 PolarHBondContact O-N 3.37Å; N479-F483 VanDerWaalsContact O-CB 3.25Å; N479-F483 WeakPolarHBondContact O-CB 3.48Å; N479-F483 PolarHBondContact O-N 3.38Å; N479-L522 HydrophobicContact CB-CD1 3.85Å; N479-L522 HydrophobicContact CB-CD2 3.91Å; N479-L522 HydrophobicContact CB-CG 4.25Å
480F81Confident75.5Confident0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-63.9-43.1171.8-81.7-53.3000111.9L340 I341 V344 I476 A477 F483 I484 L517 F590 V594 W597L340-F480 HydrophobicContact CB-CZ 4.27Å; L340-F480 HydrophobicContact CD2-CE2 4.07Å; L340-F480 HydrophobicContact CD2-CZ 3.68Å; L340-F480 HydrophobicContact CG-CE2 3.98Å; L340-F480 HydrophobicContact CG-CZ 3.74Å; I341-F480 HydrophobicContact CG1-CE1 4.02Å; I341-F480 HydrophobicContact CG1-CZ 3.81Å; V344-F480 HydrophobicContact CG2-CE2 4.46Å; I476-F480 HydrophobicContact CG2-CD2 3.67Å; I476-F480 HydrophobicContact CG2-CE2 3.46Å; I476-F480 VanDerWaalsContact CG2-CE2 3.46Å; I476-F480 VanDerWaalsContact O-CD2 3.29Å; I476-F480 WeakPolarHBondContact O-CD2 3.48Å; I476-F480 PolarHBondContact O-N 2.87Å; A477-F480 PolarHBondContact O-N 2.87Å; F480-F483 PolarHBondContact O-N 3.31Å; F480-I484 VanDerWaalsContact O-CG1 3.28Å; F480-I484 WeakPolarHBondContact O-CG1 3.26Å; F480-I484 PolarHBondContact O-N 2.9Å; F480-L517 HydrophobicContact CD1-CD1 3.61Å; F480-L517 HydrophobicContact CD1-CD2 4.38Å; F480-L517 HydrophobicContact CE1-CD1 3.76Å; F480-L517 HydrophobicContact CE1-CD2 3.72Å; F480-L517 HydrophobicContact CE1-CG 4.3Å; F480-F590 AromaticContact CD1-CE1 3.39Å; F480-F590 HydrophobicContact CD1-CE1 3.39Å; F480-F590 AromaticContact CD1-CZ 3.87Å; F480-F590 HydrophobicContact CD1-CZ 3.87Å; F480-F590 AromaticContact CE1-CE1 3.55Å; F480-F590 HydrophobicContact CE1-CE1 3.55Å; F480-F590 AromaticContact CE1-CZ 3.9Å; F480-F590 HydrophobicContact CE1-CZ 3.9Å; F480-F590 HydrophobicContact CG-CE1 4.15Å; F480-F590 HydrophobicContact CZ-CE1 4.42Å; F480-V594 HydrophobicContact CB-CG2 4.25Å; F480-W597 HydrophobicContact CD2-CE3 4.41Å; F480-W597 HydrophobicContact CD2-CZ3 4Å; F480-W597 HydrophobicContact CE2-CZ3 4.18Å
481I79.1Confident73.3Confident37 Ų3754.8 Ų54.819%0.1927%0.267CS..Hα-helixtrans-63.1-46.9176.8-70.4165.6000110.6A477 S478 F483 I484 I485A477-I481 VanDerWaalsContact O-CG1 3.3Å; A477-I481 WeakPolarHBondContact O-CG1 3.38Å; A477-I481 PolarHBondContact O-N 3.32Å; S478-I481 PolarHBondContact O-N 2.8Å; I481-F483 PolarHBondContact O-N 2.87Å; I481-I484 PolarHBondContact O-N 2.95Å; I481-I485 HydrophobicContact CG2-CD1 3.82Å; I481-I485 VanDerWaalsContact O-CG1 3.31Å; I481-I485 WeakPolarHBondContact O-CG1 3.26Å; I481-I485 PolarHBondContact O-N 3.12Å
482L76Confident70.8Confident95 Ų9555.8 Ų55.850%0.49727%0.274SS..Hα-helixtrans-58.3-46.3174.2-72.8170000111.8S478 I484 I485 D486S478-L482 WeakPolarHBondContact O-CG 3.23Å; S478-L482 PolarHBondContact O-N 3.05Å; L482-I484 VanDerWaalsContact C-N 3.3Å; L482-I484 PolarHBondContact O-N 3.1Å; L482-I485 PolarHBondContact O-N 3.1Å; L482-I485 VanDerWaalsContact O-N 3.14Å; L482-D486 PolarHBondContact O-N 2.87Å
483F71.5Confident68.4Low16 Ų1655 Ų557%0.0729%0.288CS..Hα-helixtrans-63-34.7178.7-177.2-117.4000113N479 F480 I481 N487 L510 D513 R516 L517N479-F483 VanDerWaalsContact O-CB 3.25Å; N479-F483 WeakPolarHBondContact O-CB 3.48Å; N479-F483 PolarHBondContact O-N 3.38Å; F480-F483 PolarHBondContact O-N 3.31Å; I481-F483 PolarHBondContact O-N 2.87Å; F483-N487 WeakPolarHBondContact CE2-ND2 3.46Å; F483-N487 WeakPolarHBondContact O-CB 3.42Å; F483-N487 PolarHBondContact O-N 3.48Å; F483-N487 PolarHBondContact O-ND2 3.47Å; F483-L510 HydrophobicContact CD1-CD1 3.86Å; F483-L510 HydrophobicContact CD1-CD2 4.26Å; F483-L510 HydrophobicContact CE1-CD1 3.62Å; F483-L510 HydrophobicContact CE1-CD2 3.51Å; F483-L510 HydrophobicContact CE1-CG 4.09Å; F483-L510 HydrophobicContact CE2-CD2 4.34Å; F483-L510 HydrophobicContact CZ-CD1 4.5Å; F483-L510 HydrophobicContact CZ-CD2 3.55Å; F483-D513 HydrophobicContact CE2-CB 4.38Å; F483-D513 VanDerWaalsContact CE2-O 3.25Å; F483-D513 WeakPolarHBondContact CE2-O 3.46Å; F483-D513 WeakPolarHBondContact CZ-O 3.44Å; F483-R516 HydrophobicContact CD2-CB 4.12Å; F483-R516 HydrophobicContact CE2-CB 3.68Å; F483-L517 HydrophobicContact CB-CD1 4.1Å; F483-L517 HydrophobicContact CD1-CB 4.3Å; F483-L517 HydrophobicContact CD1-CD1 3.64Å; F483-L517 HydrophobicContact CD1-CG 4.42Å; F483-L517 HydrophobicContact CD2-CB 4.5Å; F483-L517 HydrophobicContact CE1-CB 4Å; F483-L517 HydrophobicContact CE1-CD1 4.12Å; F483-L517 HydrophobicContact CE1-CG 4.43Å; F483-L517 HydrophobicContact CE2-CB 4.26Å; F483-L517 HydrophobicContact CG-CD1 3.87Å; F483-L517 HydrophobicContact CZ-CB 3.99Å
484I71.2Confident66.1Low12 Ų1260.8 Ų60.86%0.06232%0.323CS..Hα-helixtrans-69.5-41.4173.2-69.8164.6000110.9F480 I481 L482 N487 V488 L510 F590 V594F480-I484 VanDerWaalsContact O-CG1 3.28Å; F480-I484 WeakPolarHBondContact O-CG1 3.26Å; F480-I484 PolarHBondContact O-N 2.9Å; I481-I484 PolarHBondContact O-N 2.95Å; L482-I484 VanDerWaalsContact C-N 3.3Å; L482-I484 PolarHBondContact O-N 3.1Å; I484-N487 PolarHBondContact O-N 3.38Å; I484-V488 HydrophobicContact CG2-CG2 4.31Å; I484-V488 WeakPolarHBondContact O-CB 3.5Å; I484-V488 VanDerWaalsContact O-CG2 3.23Å; I484-V488 WeakPolarHBondContact O-CG2 3.1Å; I484-V488 PolarHBondContact O-N 3.24Å; I484-L510 HydrophobicContact CG1-CD1 4.38Å; I484-F590 HydrophobicContact CD1-CB 4.25Å; I484-F590 HydrophobicContact CD1-CD1 3.97Å; I484-F590 HydrophobicContact CD1-CG 3.98Å; I484-F590 HydrophobicContact CG1-CG 4.49Å; I484-V594 HydrophobicContact CD1-CB 4.35Å; I484-V594 HydrophobicContact CD1-CG1 3.57Å; I484-V594 HydrophobicContact CD1-CG2 3.83Å
485I70.6Confident63.5Low74 Ų7465 Ų6538%0.37935%0.345SS..Hα-helixtrans-61.9-55176.5-68.2163.6000110.3I481 L482 N487 V488 E489I481-I485 HydrophobicContact CG2-CD1 3.82Å; I481-I485 VanDerWaalsContact O-CG1 3.31Å; I481-I485 WeakPolarHBondContact O-CG1 3.26Å; I481-I485 PolarHBondContact O-N 3.12Å; L482-I485 PolarHBondContact O-N 3.1Å; L482-I485 VanDerWaalsContact O-N 3.14Å; I485-N487 PolarHBondContact O-N 2.88Å; I485-N487 VanDerWaalsContact O-N 3.11Å; I485-V488 PolarHBondContact O-N 2.99Å; I485-E489 HydrophobicContact CG2-CG 4.45Å; I485-E489 PolarHBondContact O-N 2.72Å
486D62.9Low60.9Low61 Ų6166 Ų6633%0.32636%0.356SS..Hα-helixtrans-46.9-43.4176.7-85.930.2000112.3L482 E490 R516L482-D486 PolarHBondContact O-N 2.87Å; D486-E490 WeakPolarHBondContact O-CG 3.29Å; D486-E490 PolarHBondContact O-N 3.23Å; D486-R516 IonicContact OD2-CZ 3.93Å; D486-R516 IonicContact OD2-NE 3.64Å; D486-R516 PolarHBondContact OD2-NE 2.92Å; D486-R516 IonicContact OD2-NH2 3.05Å; D486-R516 PolarHBondContact OD2-NH2 2.97Å
487N60.7Low58.3Low20 Ų2072.8 Ų72.811%0.10739%0.392CS..Hα-helixtrans-91-8.9-174.5-75.1-105000114.5F483 I484 I485 L510F483-N487 WeakPolarHBondContact CE2-ND2 3.46Å; F483-N487 WeakPolarHBondContact O-CB 3.42Å; F483-N487 PolarHBondContact O-N 3.48Å; F483-N487 PolarHBondContact O-ND2 3.47Å; I484-N487 PolarHBondContact O-N 3.38Å; I485-N487 PolarHBondContact O-N 2.88Å; I485-N487 VanDerWaalsContact O-N 3.11Å; N487-L510 HydrophobicContact CB-CD2 3.65Å; N487-L510 HydrophobicContact CB-CG 4.46Å; N487-L510 VanDerWaalsContact OD1-CD2 3.24Å; N487-L510 WeakPolarHBondContact OD1-CD2 3.24Å
488V57.9Low55.7Low47 Ų4780.3 Ų80.329%0.28543%0.432SS..Hα-helixtrans-86.7-46.7169.9166.50000109.5I484 I485 E490 K491 E492I484-V488 HydrophobicContact CG2-CG2 4.31Å; I484-V488 WeakPolarHBondContact O-CB 3.5Å; I484-V488 VanDerWaalsContact O-CG2 3.23Å; I484-V488 WeakPolarHBondContact O-CG2 3.1Å; I484-V488 PolarHBondContact O-N 3.24Å; I485-V488 PolarHBondContact O-N 2.99Å; V488-E490 VanDerWaalsContact C-N 3.33Å; V488-E490 PolarHBondContact O-N 2.83Å; V488-K491 PolarHBondContact O-N 3.09Å; V488-E492 HydrophobicContact CG1-CG 4.14Å; V488-E492 PolarHBondContact O-N 3.32Å
489E45.6Very low53.1Low140 Ų14084.2 Ų84.265%0.65446%0.46SS*.Hα-helixtrans-61-39.6178.1-67.4-174-174.500112.1I485 K491 G493I485-E489 HydrophobicContact CG2-CG 4.45Å; I485-E489 PolarHBondContact O-N 2.72Å; E489-K491 PolarHBondContact O-N 3.11Å; E489-K491 VanDerWaalsContact O-N 3.13Å; E489-G493 PolarHBondContact O-N 2.94Å
490E43Very low50.9Low112 Ų11290.2 Ų90.252%0.52349%0.491SS..Hα-helixtrans-61.3-17.4174.1-80.2179.6-158.300114D486 V488 R516D486-E490 WeakPolarHBondContact O-CG 3.29Å; D486-E490 PolarHBondContact O-N 3.23Å; V488-E490 VanDerWaalsContact C-N 3.33Å; V488-E490 PolarHBondContact O-N 2.83Å; E490-R516 IonicContact OE1-CZ 2.71Å; E490-R516 IonicContact OE1-NH1 3.28Å; E490-R516 PolarHBondContact OE1-NH1 3.15Å; E490-R516 IonicContact OE1-NH2 2.93Å; E490-R516 PolarHBondContact OE1-NH2 2.9Å; E490-R516 IonicContact OE2-NH1 3.59Å
491K44.6Very low48.5Very low105 Ų10599.4 Ų99.446%0.45754%0.535SS..Hα-helixtrans-108.8-36.2-178.9-75.8-176.3176.6178.60114.6V488 E489 G493 V494 F509V488-K491 PolarHBondContact O-N 3.09Å; E489-K491 PolarHBondContact O-N 3.11Å; E489-K491 VanDerWaalsContact O-N 3.13Å; K491-G493 PolarHBondContact O-N 3.13Å; K491-V494 PolarHBondContact O-N 3.12Å; K491-V494 VanDerWaalsContact O-N 3.1Å; K491-F509 PolarHBondContact NZ-O 3.32Å
492E37.6Very low46.3Very low130 Ų130107 Ų10761%0.60757%0.566SS**Hα-helixtrans-61.9-32.4175.7-70.3-174.316900111.2V488 V494V488-E492 HydrophobicContact CG1-CG 4.14Å; V488-E492 PolarHBondContact O-N 3.32Å; E492-V494 PolarHBondContact O-N 3.41Å; E492-V494 VanDerWaalsContact O-N 3.1Å
493G35.3Very low44.2Very low67 Ų67109.1 Ų109.169%0.69158%0.578SS**Hα-helixtrans-64.4-8.5173.800000116.4E489 K491E489-G493 PolarHBondContact O-N 2.94Å; K491-G493 PolarHBondContact O-N 3.13Å
494V38.5Very low42.2Very low120 Ų120116 Ų11673%0.72762%0.616SS**Hα-helixtrans-114.8-18.5-175.7-175.90000113.2K491 E492K491-V494 PolarHBondContact O-N 3.12Å; K491-V494 VanDerWaalsContact O-N 3.1Å; E492-V494 PolarHBondContact O-N 3.41Å; E492-V494 VanDerWaalsContact O-N 3.1Å
495L35.2Very low40.4Very low113 Ų113125.9 Ų125.959%0.59265%0.654SS**Hα-helixtrans-103.2-2.2-173.3-70.8173.4000115.4N497L495-N497 PolarHBondContact O-N 2.9Å
496L30.6Very low38.8Very low151 Ų151129.9 Ų129.979%0.79167%0.671SS**THydrogen-bonded Turntrans-71.768.5174.4-68.6174.3000112.8
497N29.9Very low37.7Very low160 Ų160128.8 Ų128.886%0.85667%0.67SS**THydrogen-bonded Turntrans-158.6-11.8165.6-102.8-42.7000115.7L495L495-N497 PolarHBondContact O-N 2.9Å
498N32.9Very low36.8Very low157 Ų157129.6 Ų129.684%0.8468%0.677SS**  trans-107.8111.6177.4-74.5-20.5000110.8
499S29.5Very low36.4Very low113 Ų113131.5 Ų131.579%0.7968%0.682SS**  trans-88.1103.2179.256.40000112
500D34.6Very low36.5Very low164 Ų164125.3 Ų125.388%0.87765%0.653SS**  trans-148101.3159.8-100.8-44.9000109.9K502D500-K502 PolarHBondContact O-N 3.11Å
501E31.3Very low36.9Very low194 Ų194122 Ų12291%0.90764%0.642SS**  trans-78.599-176.5-65.4-178.8122.200111.9
502K34Very low37.2Very low195 Ų195120.2 Ų120.285%0.84864%0.642SS**  trans-161.9-34157.7-111.8139.9-166.6165.80117.6D500 N504D500-K502 PolarHBondContact O-N 3.11Å; K502-N504 VanDerWaalsContact C-N 3.26Å; K502-N504 PolarHBondContact O-N 3.44Å
503D31.5Very low38.2Very low140 Ų140116.1 Ų116.175%0.74962%0.624SS**  trans-84.356.8-168.5-71.4-14.4000114.3Y505D503-Y505 PolarHBondContact O-N 3.36Å
504N28.4Very low39.6Very low162 Ų162113.3 Ų113.387%0.86659%0.594SS**THydrogen-bonded Turntrans-72.430.2-179.6-110.5-6000114.5K502K502-N504 VanDerWaalsContact C-N 3.26Å; K502-N504 PolarHBondContact O-N 3.44Å
505Y35Very low40.7Very low219 Ų219110.3 Ų110.386%0.85957%0.574SS**THydrogen-bonded Turntrans-130.228.5-176.9-89.6-76.5000113.1D503 A507D503-Y505 PolarHBondContact O-N 3.36Å; Y505-A507 PolarHBondContact O-N 3.05Å
506Q35.8Very low42Very low158 Ų158109 Ų10974%0.73856%0.561SS**  trans-69.879.4170.4-68-162.39.200111.8S508Q506-S508 PolarHBondContact O-N 2.89Å
507A40.2Very low43.5Very low38 Ų38102 Ų10231%0.31452%0.524SS..  trans-54134.5165.700000109.8Y505 F509Y505-A507 PolarHBondContact O-N 3.05Å; A507-F509 WeakPolarHBondContact O-CD2 3.49Å; A507-F509 PolarHBondContact O-N 3.2Å
508S42.5Very low44.9Very low36 Ų3696.7 Ų96.725%0.25250%0.495SS..  trans-64.990.7-168.955.90000113Q506 L510Q506-S508 PolarHBondContact O-N 2.89Å; S508-L510 PolarHBondContact O-N 2.96Å; S508-L510 VanDerWaalsContact O-N 3.14Å
509F48.9Very low45.9Very low88 Ų8893.4 Ų93.439%0.38648%0.484SS..  trans-70.8103.2176.4-77.3-89.6000110.8K491 A507 C511 P587 K589K491-F509 PolarHBondContact NZ-O 3.32Å; A507-F509 WeakPolarHBondContact O-CD2 3.49Å; A507-F509 PolarHBondContact O-N 3.2Å; F509-C511 PolarHBondContact O-N 2.8Å; F509-P587 HydrophobicContact CB-CB 4.27Å; F509-P587 HydrophobicContact CD1-CB 4.06Å; F509-P587 HydrophobicContact CD1-CG 4.28Å; F509-K589 HydrophobicContact CD1-CG 4.41Å; F509-K589 HydrophobicContact CE1-CD 4.45Å; F509-K589 VanDerWaalsContact CE1-CE 3.43Å; F509-K589 HydrophobicContact CE1-CG 4.24Å; F509-K589 VanDerWaalsContact CZ-CE 3.49Å
510L47.9Very low46.9Very low9 Ų989.9 Ų89.95%0.04746%0.462CS..BIsolated β-bridgetrans-9194.5-179.1-91.9154.3000110.4F483 I484 N487 S508 P587 I588 F590F483-L510 HydrophobicContact CD1-CD1 3.86Å; F483-L510 HydrophobicContact CD1-CD2 4.26Å; F483-L510 HydrophobicContact CE1-CD1 3.62Å; F483-L510 HydrophobicContact CE1-CD2 3.51Å; F483-L510 HydrophobicContact CE1-CG 4.09Å; F483-L510 HydrophobicContact CE2-CD2 4.34Å; F483-L510 HydrophobicContact CZ-CD1 4.5Å; F483-L510 HydrophobicContact CZ-CD2 3.55Å; I484-L510 HydrophobicContact CG1-CD1 4.38Å; N487-L510 HydrophobicContact CB-CD2 3.65Å; N487-L510 HydrophobicContact CB-CG 4.46Å; N487-L510 VanDerWaalsContact OD1-CD2 3.24Å; N487-L510 WeakPolarHBondContact OD1-CD2 3.24Å; S508-L510 PolarHBondContact O-N 2.96Å; S508-L510 VanDerWaalsContact O-N 3.14Å; L510-P587 WeakPolarHBondContact O-CA 3.42Å; L510-I588 PolarHBondContact N-O 2.79Å; L510-I588 VanDerWaalsContact N-O 3.15Å; L510-I588 PolarHBondContact O-N 3.31Å; L510-F590 HydrophobicContact CB-CE2 4.38Å; L510-F590 HydrophobicContact CD1-CD2 3.73Å; L510-F590 HydrophobicContact CD1-CE2 3.34Å; L510-F590 HydrophobicContact CD1-CZ 4.25Å; L510-F590 HydrophobicContact CG-CE2 4.46Å
511C51Low47.6Very low44 Ų4488.2 Ų88.230%0.29745%0.453SS..  trans-95.3-31.4-178.2-164.10000113.1F509 P587F509-C511 PolarHBondContact O-N 2.8Å; C511-P587 HydrophobicContact CB-CB 4.21Å; C511-P587 HydrophobicContact CB-CG 4.05Å
512C50.6Low48.6Very low67 Ų6779.8 Ų79.845%0.45341%0.414SS..SBendtrans-96.9-52.1-157.3-58.90000114
513D58.8Low49.4Very low43 Ų4371.1 Ų71.123%0.2338%0.378CS..  trans-12257.7-161.2-151-9.4000116.5F483 N515 R516 L517F483-D513 HydrophobicContact CE2-CB 4.38Å; F483-D513 VanDerWaalsContact CE2-O 3.25Å; F483-D513 WeakPolarHBondContact CE2-O 3.46Å; F483-D513 WeakPolarHBondContact CZ-O 3.44Å; D513-N515 PolarHBondContact O-N 3.23Å; D513-N515 VanDerWaalsContact O-N 3.15Å; D513-N515 WeakPolarHBondContact OD1-CB 3.4Å; D513-N515 PolarHBondContact OD1-N 2.96Å; D513-R516 HydrophobicContact CB-CB 4.09Å; D513-R516 VanDerWaalsContact CG-CB 3.45Å; D513-R516 WeakPolarHBondContact O-CB 3.41Å; D513-R516 PolarHBondContact O-N 3.47Å; D513-R516 PolarHBondContact OD1-N 2.99Å; D513-R516 WeakPolarHBondContact OD2-CB 3.49Å; D513-R516 WeakPolarHBondContact OD2-CD 3.35Å; D513-R516 WeakPolarHBondContact OD2-CG 3.32Å; D513-L517 PolarHBondContact O-N 3.26Å
514V63.6Low49.9Very low9 Ų968.9 Ų68.96%0.05537%0.373CS..Hα-helixtrans-58-21.1165.8-179.90000111.4K333 R334 V337 I518 I588K333-V514 HydrophobicContact CB-CG1 3.97Å; R334-V514 HydrophobicContact CG-CG1 4.31Å; R334-V514 HydrophobicContact CG-CG2 3.95Å; V337-V514 HydrophobicContact CG2-CG1 4.11Å; V514-I518 HydrophobicContact CG1-CD1 3.93Å; V514-I518 WeakPolarHBondContact O-CG1 3.35Å; V514-I518 PolarHBondContact O-N 3.09Å; V514-I518 VanDerWaalsContact O-N 3.13Å; V514-I588 HydrophobicContact CG2-CD1 4.2Å
515N62Low50.4Low56 Ų5667.2 Ų67.230%0.29936%0.364SS..Hα-helixtrans-70.3-47.2175.1-70.2-34.2000111.9K333 D513 L517 I518 S519 D578K333-N515 PolarHBondContact NZ-OD1 3.47Å; D513-N515 PolarHBondContact O-N 3.23Å; D513-N515 VanDerWaalsContact O-N 3.15Å; D513-N515 WeakPolarHBondContact OD1-CB 3.4Å; D513-N515 PolarHBondContact OD1-N 2.96Å; N515-L517 VanDerWaalsContact C-N 3.33Å; N515-L517 PolarHBondContact O-N 3.17Å; N515-I518 PolarHBondContact O-N 3.43Å; N515-S519 VanDerWaalsContact O-CB 3.28Å; N515-S519 WeakPolarHBondContact O-CB 3.38Å; N515-S519 PolarHBondContact O-N 3.4Å; N515-S519 PolarHBondContact O-OG 2.96Å; N515-D578 PolarHBondContact ND2-OD2 2.85Å
516R62.4Low50.6Low85 Ų8558.8 Ų58.832%0.32133%0.334SS..Hα-helixtrans-48.9-54.4170.6-113175.7159.1144.5-21.8110F483 D486 E490 D513 I518 S519 A520F483-R516 HydrophobicContact CD2-CB 4.12Å; F483-R516 HydrophobicContact CE2-CB 3.68Å; D486-R516 IonicContact OD2-CZ 3.93Å; D486-R516 IonicContact OD2-NE 3.64Å; D486-R516 PolarHBondContact OD2-NE 2.92Å; D486-R516 IonicContact OD2-NH2 3.05Å; D486-R516 PolarHBondContact OD2-NH2 2.97Å; E490-R516 IonicContact OE1-CZ 2.71Å; E490-R516 IonicContact OE1-NH1 3.28Å; E490-R516 PolarHBondContact OE1-NH1 3.15Å; E490-R516 IonicContact OE1-NH2 2.93Å; E490-R516 PolarHBondContact OE1-NH2 2.9Å; E490-R516 IonicContact OE2-NH1 3.59Å; D513-R516 HydrophobicContact CB-CB 4.09Å; D513-R516 VanDerWaalsContact CG-CB 3.45Å; D513-R516 WeakPolarHBondContact O-CB 3.41Å; D513-R516 PolarHBondContact O-N 3.47Å; D513-R516 PolarHBondContact OD1-N 2.99Å; D513-R516 WeakPolarHBondContact OD2-CB 3.49Å; D513-R516 WeakPolarHBondContact OD2-CD 3.35Å; D513-R516 WeakPolarHBondContact OD2-CG 3.32Å; R516-I518 PolarHBondContact O-N 3.12Å; R516-S519 WeakPolarHBondContact CA-OG 3.48Å; R516-S519 PolarHBondContact O-N 3.15Å; R516-S519 VanDerWaalsContact O-N 3.12Å; R516-S519 PolarHBondContact O-OG 3.23Å; R516-A520 PolarHBondContact O-N 3.25Å; R516-A520 VanDerWaalsContact O-N 3.13Å
517L62.2Low50.4Low4 Ų457.9 Ų57.92%0.02133%0.332CS..Hα-helixtrans-61.8-41.8-176.2-170.580.4000112.7V337 F480 F483 D513 N515 A520 L522V337-L517 HydrophobicContact CB-CD2 4.16Å; V337-L517 HydrophobicContact CG1-CD2 3.32Å; V337-L517 HydrophobicContact CG2-CD2 3.7Å; F480-L517 HydrophobicContact CD1-CD1 3.61Å; F480-L517 HydrophobicContact CD1-CD2 4.38Å; F480-L517 HydrophobicContact CE1-CD1 3.76Å; F480-L517 HydrophobicContact CE1-CD2 3.72Å; F480-L517 HydrophobicContact CE1-CG 4.3Å; F483-L517 HydrophobicContact CB-CD1 4.1Å; F483-L517 HydrophobicContact CD1-CB 4.3Å; F483-L517 HydrophobicContact CD1-CD1 3.64Å; F483-L517 HydrophobicContact CD1-CG 4.42Å; F483-L517 HydrophobicContact CD2-CB 4.5Å; F483-L517 HydrophobicContact CE1-CB 4Å; F483-L517 HydrophobicContact CE1-CD1 4.12Å; F483-L517 HydrophobicContact CE1-CG 4.43Å; F483-L517 HydrophobicContact CE2-CB 4.26Å; F483-L517 HydrophobicContact CG-CD1 3.87Å; F483-L517 HydrophobicContact CZ-CB 3.99Å; D513-L517 PolarHBondContact O-N 3.26Å; N515-L517 VanDerWaalsContact C-N 3.33Å; N515-L517 PolarHBondContact O-N 3.17Å; L517-A520 PolarHBondContact O-N 2.69Å; L517-L522 HydrophobicContact CD1-CD1 3.59Å; L517-L522 HydrophobicContact CG-CD1 3.97Å
518I60.1Low49.9Very low50 Ų5058.8 Ų58.826%0.25634%0.336SS..Hα-helixtrans-69.9-36.4175.8-69.4173.2000111.2K333 V337 V514 N515 R516 A520 N521 V523K333-I518 HydrophobicContact CB-CD1 3.66Å; K333-I518 HydrophobicContact CD-CD1 3.99Å; K333-I518 HydrophobicContact CG-CD1 3.57Å; V337-I518 HydrophobicContact CG2-CD1 4.38Å; V337-I518 HydrophobicContact CG2-CG1 4.16Å; V514-I518 HydrophobicContact CG1-CD1 3.93Å; V514-I518 WeakPolarHBondContact O-CG1 3.35Å; V514-I518 PolarHBondContact O-N 3.09Å; V514-I518 VanDerWaalsContact O-N 3.13Å; N515-I518 PolarHBondContact O-N 3.43Å; R516-I518 PolarHBondContact O-N 3.12Å; I518-A520 PolarHBondContact O-N 2.94Å; I518-N521 PolarHBondContact O-N 3.3Å; I518-V523 HydrophobicContact CG1-CB 4.42Å; I518-V523 HydrophobicContact CG1-CG2 3.93Å
519S53.4Low49.3Very low87 Ų8761.6 Ų61.661%0.60835%0.353SS*.Hα-helixtrans-65.5-22.4178.979.30000113.7N515 R516 N521N515-S519 VanDerWaalsContact O-CB 3.28Å; N515-S519 WeakPolarHBondContact O-CB 3.38Å; N515-S519 PolarHBondContact O-N 3.4Å; N515-S519 PolarHBondContact O-OG 2.96Å; R516-S519 WeakPolarHBondContact CA-OG 3.48Å; R516-S519 PolarHBondContact O-N 3.15Å; R516-S519 VanDerWaalsContact O-N 3.12Å; R516-S519 PolarHBondContact O-OG 3.23Å; S519-N521 PolarHBondContact O-N 3.44Å
520A50.8Low48.2Very low39 Ų3964 Ų6432%0.32237%0.37SS..THydrogen-bonded Turntrans-69.911172.600000114.2R516 L517 I518 L522R516-A520 PolarHBondContact O-N 3.25Å; R516-A520 VanDerWaalsContact O-N 3.13Å; L517-A520 PolarHBondContact O-N 2.69Å; I518-A520 PolarHBondContact O-N 2.94Å; A520-L522 HydrophobicContact CB-CD1 4.27Å; A520-L522 HydrophobicContact CB-CG 4.09Å; A520-L522 PolarHBondContact O-N 2.95Å
521N49.4Very low47.4Very low130 Ų13067.2 Ų67.270%0.69539%0.387SS*.THydrogen-bonded Turntrans56.927-177.8-75.6-42.2000114.6I518 S519I518-N521 PolarHBondContact O-N 3.3Å; S519-N521 PolarHBondContact O-N 3.44Å
522L51.2Low46.1Very low16 Ų1670 Ų708%0.08441%0.406CS..  trans-75.8-23.4-179.2-70.1177.4000114.5L340 I476 N479 L517 A520L340-L522 HydrophobicContact CD2-CB 4.06Å; I476-L522 HydrophobicContact CB-CD2 4.1Å; I476-L522 HydrophobicContact CG1-CD2 3.79Å; I476-L522 HydrophobicContact CG2-CD2 4.27Å; N479-L522 HydrophobicContact CB-CD1 3.85Å; N479-L522 HydrophobicContact CB-CD2 3.91Å; N479-L522 HydrophobicContact CB-CG 4.25Å; L517-L522 HydrophobicContact CD1-CD1 3.59Å; L517-L522 HydrophobicContact CG-CD1 3.97Å; A520-L522 HydrophobicContact CB-CD1 4.27Å; A520-L522 HydrophobicContact CB-CG 4.09Å; A520-L522 PolarHBondContact O-N 2.95Å
523V51.6Low45.1Very low14 Ų1472.4 Ų72.49%0.08541%0.414CS..SBendtrans-119.213.5-159.3-159.40000112.4R336 L340 I518 N525 I526R336-V523 HydrophobicContact CB-CG1 3.84Å; L340-V523 HydrophobicContact CD2-CG2 4.25Å; I518-V523 HydrophobicContact CG1-CB 4.42Å; I518-V523 HydrophobicContact CG1-CG2 3.93Å; V523-N525 VanDerWaalsContact C-N 3.32Å; V523-N525 PolarHBondContact O-N 3.3Å; V523-I526 HydrophobicContact CG1-CD1 3.82Å; V523-I526 HydrophobicContact CG1-CG1 4.31Å
524S42.1Very low43.5Very low92 Ų9279 Ų7964%0.64344%0.44SS*.THydrogen-bonded Turntrans-68.7-28.8-177.161.20000113.8
525N38.7Very low41.8Very low127 Ų12786.1 Ų86.168%0.67948%0.477SS*.THydrogen-bonded Turntrans-110.74.4-167.4-63.511.7000113.9V523 I527V523-N525 VanDerWaalsContact C-N 3.32Å; V523-N525 PolarHBondContact O-N 3.3Å; N525-I527 VanDerWaalsContact C-N 3.26Å; N525-I527 PolarHBondContact O-N 2.91Å
526I38.8Very low40Very low43 Ų4391.1 Ų91.122%0.22150%0.504CS..  trans-78.882.4176.8-45.7-178.3000109.5L340 V523 C528L340-I526 HydrophobicContact CB-CD1 3.48Å; L340-I526 VanDerWaalsContact CB-CD1 3.48Å; L340-I526 HydrophobicContact CD1-CD1 3.71Å; L340-I526 HydrophobicContact CD1-CG1 4.46Å; L340-I526 HydrophobicContact CD2-CD1 4.17Å; L340-I526 HydrophobicContact CG-CD1 3.94Å; V523-I526 HydrophobicContact CG1-CD1 3.82Å; V523-I526 HydrophobicContact CG1-CG1 4.31Å; I526-C528 PolarHBondContact O-N 3.16Å
527I32.4Very low38.4Very low138 Ų13890 Ų9071%0.70852%0.519SS*.PPolyproline II helixtrans-59.9116.6158-62.6168.5000106N525N525-I527 VanDerWaalsContact C-N 3.26Å; N525-I527 PolarHBondContact O-N 2.91Å
528C28.7Very low36.6Very low57 Ų5795.1 Ų95.139%0.38556%0.555SS.*PPolyproline II helixtrans-58.5127.6165.7-640000106.6I526 D530I526-C528 PolarHBondContact O-N 3.16Å; C528-D530 PolarHBondContact O-N 3.07Å
529P30.1Very low35.2Very low95 Ų9599.8 Ų99.862%0.61758%0.58SS**PPolyproline II helixtrans-54.5129.1-173.921.7-33.2000109.6L531P529-L531 WeakPolarHBondContact O-CD1 3.36Å; P529-L531 PolarHBondContact O-N 3.02Å
530D27.2Very low34Very low140 Ų140103.8 Ų103.875%0.74959%0.589SS**  trans-56.4108.3-176.6-92.5-50.4000109.6C528 S532C528-D530 PolarHBondContact O-N 3.07Å; D530-S532 PolarHBondContact O-N 3.48Å; D530-S532 PolarHBondContact O-OG 3.47Å
531L29.3Very low32.8Very low76 Ų76109.7 Ų109.740%0.39861%0.611SS.*  trans-74.455-179.9-111.589.9000111.4L233 P529 I533L233-L531 HydrophobicContact CD1-CD2 4.15Å; P529-L531 WeakPolarHBondContact O-CD1 3.36Å; P529-L531 PolarHBondContact O-N 3.02Å; L531-I533 HydrophobicContact CD2-CD1 3.84Å; L531-I533 HydrophobicContact CD2-CG1 4.46Å; L531-I533 HydrophobicContact CG-CD1 3.84Å; L531-I533 HydrophobicContact CG-CG1 4.08Å; L531-I533 PolarHBondContact O-N 3.15Å
532S24.8Very low31.8Very low101 Ų101110.6 Ų110.671%0.70662%0.615SS**  trans-75.739.5165.259.20000111.3D530 K534D530-S532 PolarHBondContact O-N 3.48Å; D530-S532 PolarHBondContact O-OG 3.47Å; S532-K534 PolarHBondContact O-N 3.32Å
533I29.3Very low30.6Very low118 Ų118118 Ų11861%0.60566%0.655SS**  trans-67.797.8178.3-58.1-178.3000108.2L531 L535L531-I533 HydrophobicContact CD2-CD1 3.84Å; L531-I533 HydrophobicContact CD2-CG1 4.46Å; L531-I533 HydrophobicContact CG-CD1 3.84Å; L531-I533 HydrophobicContact CG-CG1 4.08Å; L531-I533 PolarHBondContact O-N 3.15Å; I533-L535 VanDerWaalsContact C-N 3.32Å; I533-L535 HydrophobicContact CG2-CG 4.27Å; I533-L535 PolarHBondContact O-N 3.15Å
534K24.5Very low29.6Very low181 Ų181122.2 Ų122.279%0.78768%0.681SS**  trans-67.989.4168.5-69-178.7-179.8176.50109.4S532 N536S532-K534 PolarHBondContact O-N 3.32Å; K534-N536 VanDerWaalsContact C-N 3.25Å; K534-N536 PolarHBondContact O-N 3.34Å
535L28.7Very low28.8Very low160 Ų160123.6 Ų123.684%0.83868%0.681SS**  trans-68.686.6164.4-81166.5000109.3I533 G537I533-L535 VanDerWaalsContact C-N 3.32Å; I533-L535 HydrophobicContact CG2-CG 4.27Å; I533-L535 PolarHBondContact O-N 3.15Å; L535-G537 PolarHBondContact O-N 2.82Å
536N24.8Very low28.5Very low161 Ų161123.5 Ų123.586%0.86168%0.679SS**  trans-64.395.1167-77-15.7000108.8K534K534-N536 VanDerWaalsContact C-N 3.25Å; K534-N536 PolarHBondContact O-N 3.34Å
537G27.8Very low28Very low61 Ų61125.9 Ų125.963%0.62969%0.693SS**  trans-170.267-173.500000114.5L535L535-G537 PolarHBondContact O-N 2.82Å
538S25.6Very low27.8Very low111 Ų111125.8 Ų125.878%0.77669%0.694SS**  trans23.494.5155.257.80000118.6
539N30.2Very low27.7Very low148 Ų148125 Ų12579%0.79169%0.689SS**  trans164.792.4139.6-82.7-17.7000108.3
540Q27.7Very low27.6Very low171 Ų171122.3 Ų122.380%0.79967%0.672SS**  63.8110.1101.8-71.3-167.9-1.900115
541Q26.7Very low27.7Very low164 Ų164122.2 Ų122.277%0.76667%0.671SS**SBendtrans6481.6157.7-62.2174.2-43.800117.4
542N28.1Very low27.7Very low148 Ų148121.4 Ų121.479%0.79167%0.671SS**  174.562.1123.2-85.7-31.3000112.6V544N542-V544 VanDerWaalsContact C-N 3.3Å; N542-V544 PolarHBondContact O-N 3.26Å
543D26.3Very low27.8Very low172 Ų172122.9 Ų122.992%0.9267%0.671SS**  trans-75.871.9179.6-66.8-64.5000113.3
544V28.9Very low27.7Very low103 Ų103124.9 Ų124.962%0.62467%0.672SS**  trans-77.8135.4167.5-179.50000109.4N542 L546N542-V544 VanDerWaalsContact C-N 3.3Å; N542-V544 PolarHBondContact O-N 3.26Å; V544-L546 VanDerWaalsContact C-N 3.31Å; V544-L546 WeakPolarHBondContact O-CG 3.44Å; V544-L546 PolarHBondContact O-N 3.49Å
545N27.2Very low27.8Very low121 Ų121121 Ų12165%0.64767%0.668SS**  trans-72.475.7-169.4-163.7-9.7000113.4N547 N548N545-N547 VanDerWaalsContact C-N 3.29Å; N545-N547 PolarHBondContact O-N 2.96Å; N545-N547 VanDerWaalsContact O-N 3.14Å; N545-N548 PolarHBondContact O-N 3.28Å
546L30.8Very low27.5Very low124 Ų124116 Ų11665%0.64965%0.654SS**THydrogen-bonded Turntrans-65.8-13.9-163.2-88.8153.7000116.8V544V544-L546 VanDerWaalsContact C-N 3.31Å; V544-L546 WeakPolarHBondContact O-CG 3.44Å; V544-L546 PolarHBondContact O-N 3.49Å
547N29.2Very low27.5Very low93 Ų93114.8 Ų114.850%0.49764%0.643SS.*THydrogen-bonded Turntrans-92-19.1179.9-89.1-31.7000114.8R236 N545R236-N547 PolarHBondContact NH1-OD1 2.98Å; N545-N547 VanDerWaalsContact C-N 3.29Å; N545-N547 PolarHBondContact O-N 2.96Å; N545-N547 VanDerWaalsContact O-N 3.14Å
548N27.9Very low27.4Very low136 Ų136116.5 Ų116.573%0.72764%0.638SS**SBendtrans-122.114.3-173.9-89.3-11.7000115.3N545 S552N545-N548 PolarHBondContact O-N 3.28Å; N548-S552 PolarHBondContact O-OG 3.09Å
549S27.3Very low27.4Very low41 Ų41116.1 Ų116.129%0.28762%0.624SS.*SBendtrans-115.9-31.2-176.6-160.70000114.7L551 S552 L553S549-L551 PolarHBondContact O-N 2.85Å; S549-S552 VanDerWaalsContact C-OG 3.31Å; S549-S552 VanDerWaalsContact CA-OG 3.31Å; S549-S552 WeakPolarHBondContact CA-OG 3.49Å; S549-S552 PolarHBondContact O-OG 2.73Å; S549-L553 WeakPolarHBondContact OG-CD1 3.3Å
550C27.9Very low27.2Very low39 Ų39114.5 Ų114.526%0.26462%0.624SS.*THydrogen-bonded Turntrans-86.24.6-166.8-600000116.1H240H240-C550 PolarHBondContact NE2-SG 3.01Å; H240-C550 VanDerWaalsContact NE2-SG 3.37Å
551L29.8Very low27.2Very low138 Ų138111.9 Ų111.972%0.72363%0.625SS**THydrogen-bonded Turntrans-135.85.9175.3-74.2173.8000112.8S549S549-L551 PolarHBondContact O-N 2.85Å
552S27.8Very low27.1Very low59 Ų59110.6 Ų110.641%0.41362%0.623SS.*THydrogen-bonded Turntrans-129.7-10.4-161.841.70000113.8N548 S549N548-S552 PolarHBondContact O-OG 3.09Å; S549-S552 VanDerWaalsContact C-OG 3.31Å; S549-S552 VanDerWaalsContact CA-OG 3.31Å; S549-S552 WeakPolarHBondContact CA-OG 3.49Å; S549-S552 PolarHBondContact O-OG 2.73Å
553L27.2Very low27Very low132 Ų132109.1 Ų109.169%0.69162%0.622SS**SBendtrans-88.1-1.6174.3-71.5176.3000114.2S549S549-L553 WeakPolarHBondContact OG-CD1 3.3Å
554Y27.3Very low26.9Very low159 Ų159105.3 Ų105.362%0.62460%0.604SS**SBendtrans-131.780158.1-81.5-81.5000108.4
555S25.8Very low26.7Very low101 Ų101107.9 Ų107.971%0.70661%0.611SS**SBendtrans-123.417.5168.7-58.40000111.9
556G23.9Very low26.8Very low53 Ų53107.1 Ų107.155%0.54662%0.616SS.*SBendtrans-129.5157.2156.400000107.7
557E24.1Very low26.5Very low137 Ų137104 Ų10464%0.6461%0.614SS**SBendtrans61.784.2-176.3-61.2177.4-158.900115.1
558D25Very low26.3Very low96 Ų96106.6 Ų106.651%0.51362%0.623SS.*  trans-165.8148151.2-114.4-39.2000115R321 R325R321-D558 IonicContact CZ-OD1 2.96Å; R321-D558 IonicContact CZ-OD2 2.66Å; R321-D558 IonicContact NH1-OD1 3.06Å; R321-D558 IonicContact NH1-OD2 3.58Å; R321-D558 PolarHBondContact NH1-OD2 3.07Å; R321-D558 IonicContact NH2-OD1 2.66Å; R321-D558 PolarHBondContact NH2-OD1 3.17Å; R321-D558 IonicContact NH2-OD2 2.73Å; R321-D558 PolarHBondContact NH2-OD2 2.95Å; R325-D558 IonicContact NH2-OD2 2.73Å
559E26.7Very low26.3Very low103 Ų103107.2 Ų107.248%0.48162%0.624SS.*SBendtrans52.171.2156.1-66174.8-154.600120.4R321 R325R321-E559 IonicContact CZ-OE1 3.52Å; R321-E559 IonicContact NH2-OE1 3.45Å; R321-E559 PolarHBondContact NH2-OE1 3.01Å; R325-E559 IonicContact NH1-OE1 3.58Å; R325-E559 PolarHBondContact NH1-OE1 3.45Å
560S24.9Very low26.3Very low115 Ų115111.6 Ų111.680%0.80465%0.645SS**  trans-14929.6143.5720000115.4
561S28.7Very low26.2Very low115 Ų115119.7 Ų119.780%0.80468%0.678SS**  trans-88126.3172.535.30000112.5
562N24.1Very low26Very low138 Ų138116.8 Ų116.874%0.73867%0.67SS**  trans-60.1149.4170.8-84.3-53.2000111.7V564N562-V564 HydrophobicContact CB-CG2 3.9Å
563P26Very low26Very low117 Ų117116.8 Ų116.876%0.7667%0.67SS**  -127.914666.435.2-21.6000114
564V24.6Very low26Very low91 Ų91117.1 Ų117.155%0.55267%0.672SS**  cis63.675.148.4-172.10000112.9N562N562-V564 HydrophobicContact CB-CG2 3.9Å
565M25.4Very low26.2Very low157 Ų157117.1 Ų117.177%0.77368%0.678SS**  179.6147.6128-98-67.9-89.800111.8
566S27.8Very low26.5Very low106 Ų106118.9 Ų118.974%0.74167%0.673SS**  trans61.7155.6-171.779.30000114.6
567G26.1Very low27.2Very low59 Ų59119.7 Ų119.761%0.60867%0.667SS**  cis171.1136.8-5.300000109.8I569G567-I569 PolarHBondContact O-N 2.89Å; G567-I569 VanDerWaalsContact O-N 3.13Å
568E24.1Very low28.3Very low147 Ų147115.6 Ų115.669%0.68765%0.65SS**  trans-41.7107.8-173.9-62.4159.7114.400115.3A1202E568-A1202 HydrophobicContact CG-CB 4.32Å; E568-A1202 WeakPolarHBondContact OE1-CA 3.35Å; E568-A1202 WeakPolarHBondContact OE1-CB 3.35Å
569I28.4Very low29.8Very low148 Ų148116.7 Ų116.776%0.75965%0.651SS**  trans-131.1135.7159.8-60.5-176.8000109G567G567-I569 PolarHBondContact O-N 2.89Å; G567-I569 VanDerWaalsContact O-N 3.13Å
570N26.6Very low31.7Very low133 Ų133114.4 Ų114.471%0.71165%0.647SS**  trans-59.5155.3-171.4-63.5-68.7000114.6S572N570-S572 VanDerWaalsContact C-N 3.28Å; N570-S572 PolarHBondContact O-N 2.84Å
571H25.5Very low34Very low210 Ų210109.1 Ų109.197%0.97261%0.61SS**SBendtrans-6582.2166.8-74-72.5000111.4
572S25.9Very low35.8Very low77 Ų77106.7 Ų106.754%0.53859%0.586SS.*  trans-160.521.7175.565.90000113.7N570N570-S572 VanDerWaalsContact C-N 3.28Å; N570-S572 PolarHBondContact O-N 2.84Å
573S27.5Very low38.3Very low59 Ų59106.2 Ų106.241%0.41358%0.577SS.*  trans-119.5-20.9-16448.90000116.3E575 K576S573-E575 VanDerWaalsContact C-N 3.32Å; S573-E575 PolarHBondContact O-N 2.91Å; S573-K576 PolarHBondContact O-N 3.13Å
574N28.4Very low40.7Very low139 Ų139101.4 Ų101.474%0.74354%0.544SS*.Hα-helixtrans-71.8-20-176.4-8822.4000114.5T577N574-T577 PolarHBondContact O-OG1 3.08Å
575E30.7Very low43.2Very low158 Ų15897.7 Ų97.774%0.73852%0.52SS*.Hα-helixtrans-73.2-40.9174-69.4164.914700110.6S573 T577 D578 E579S573-E575 VanDerWaalsContact C-N 3.32Å; S573-E575 PolarHBondContact O-N 2.91Å; E575-T577 PolarHBondContact O-N 3.15Å; E575-T577 VanDerWaalsContact O-N 3.14Å; E575-D578 PolarHBondContact O-N 2.98Å; E575-E579 PolarHBondContact O-N 3.27Å; E575-E579 VanDerWaalsContact O-N 3.14Å
576K33.3Very low45.4Very low139 Ų13991.8 Ų91.860%0.60449%0.492SS*.Hα-helixtrans-61-25.4179.2-61.5-169.6173.5-1700113.9S573 E579 S580S573-K576 PolarHBondContact O-N 3.13Å; K576-E579 WeakPolarHBondContact CA-OE2 3.21Å; K576-S580 PolarHBondContact O-N 3.04Å
577T37.1Very low47.3Very low69 Ų6987.3 Ų87.342%0.42346%0.46SS..Hα-helixtrans-74.9-26.7175.232.90000113.9Q326 N574 E575 S580Q326-T577 PolarHBondContact NE2-O 3.28Å; N574-T577 PolarHBondContact O-OG1 3.08Å; E575-T577 PolarHBondContact O-N 3.15Å; E575-T577 VanDerWaalsContact O-N 3.14Å; T577-S580 PolarHBondContact O-OG 3.18Å; T577-S580 VanDerWaalsContact O-OG 3.1Å
578D48.6Very low49.4Very low52 Ų5284.9 Ų84.928%0.27843%0.433SS..Hα-helixtrans-86.7-35173.5-98.311000111.1Q326 N515 E575 S580 M581 Q582Q326-D578 PolarHBondContact NE2-OD1 2.78Å; Q326-D578 VanDerWaalsContact NE2-OD1 3.13Å; N515-D578 PolarHBondContact ND2-OD2 2.85Å; E575-D578 PolarHBondContact O-N 2.98Å; D578-S580 VanDerWaalsContact C-N 3.26Å; D578-S580 PolarHBondContact O-N 3.45Å; D578-M581 PolarHBondContact O-N 3.3Å; D578-M581 VanDerWaalsContact O-N 3.1Å; D578-Q582 WeakPolarHBondContact O-CG 3.2Å; D578-Q582 PolarHBondContact O-N 3.37Å; D578-Q582 VanDerWaalsContact O-N 3.08Å
579E55.8Low51.5Low118 Ų11881.4 Ų81.455%0.55142%0.416SS*.Hα-helixtrans-51.3-45.1170-69.4-177.3140.600112E575 K576 M581 Q582E575-E579 PolarHBondContact O-N 3.27Å; E575-E579 VanDerWaalsContact O-N 3.14Å; K576-E579 WeakPolarHBondContact CA-OE2 3.21Å; E579-M581 PolarHBondContact O-N 2.91Å; E579-M581 VanDerWaalsContact O-N 3.13Å; E579-Q582 PolarHBondContact O-N 2.96Å
580S65.5Low53.7Low56 Ų5674.8 Ų74.839%0.39238%0.381SS..Hα-helixtrans-64.9-18.5-177.178.60000114.1K576 T577 D578 K583K576-S580 PolarHBondContact O-N 3.04Å; T577-S580 PolarHBondContact O-OG 3.18Å; T577-S580 VanDerWaalsContact O-OG 3.1Å; D578-S580 VanDerWaalsContact C-N 3.26Å; D578-S580 PolarHBondContact O-N 3.45Å; S580-K583 VanDerWaalsContact O-CD 3.25Å; S580-K583 WeakPolarHBondContact O-CD 3.47Å; S580-K583 WeakPolarHBondContact O-CE 3.33Å; S580-K583 PolarHBondContact O-NZ 3.3Å
581M73.9Confident56.1Low4 Ų468.5 Ų68.52%0.0235%0.348CS..Hα-helixtrans-100.3-26.5179.9-61.8-62.2-92.300113E323 Q326 D578 E579 K583 Y584 F585E323-M581 HydrophobicContact CG-CE 4.37Å; Q326-M581 HydrophobicContact CB-CE 3.99Å; Q326-M581 HydrophobicContact CG-CE 4.01Å; Q326-M581 HydrophobicContact CG-CG 4.45Å; D578-M581 PolarHBondContact O-N 3.3Å; D578-M581 VanDerWaalsContact O-N 3.1Å; E579-M581 PolarHBondContact O-N 2.91Å; E579-M581 VanDerWaalsContact O-N 3.13Å; M581-K583 PolarHBondContact O-N 3.06Å; M581-Y584 PolarHBondContact O-N 3.32Å; M581-Y584 HydrophobicContact SD-CD2 4.04Å; M581-Y584 HydrophobicContact SD-CE2 3.81Å; M581-F585 WeakPolarHBondContact O-CD2 3.46Å; M581-F585 WeakPolarHBondContact O-CE2 3.38Å
582Q67.5Low58.5Low64 Ų6465.5 Ų65.530%0.29934%0.338SS..Hα-helixtrans-54.4-36.3178.3-74.8168.633.900112.5D578 E579 Y584 F585D578-Q582 WeakPolarHBondContact O-CG 3.2Å; D578-Q582 PolarHBondContact O-N 3.37Å; D578-Q582 VanDerWaalsContact O-N 3.08Å; E579-Q582 PolarHBondContact O-N 2.96Å; Q582-Y584 PolarHBondContact O-N 3.1Å; Q582-F585 PolarHBondContact O-N 3.45Å; Q582-F585 VanDerWaalsContact O-N 3.15Å
583K75.3Confident61.2Low127 Ų12762.5 Ų62.555%0.55232%0.316SS*.THydrogen-bonded Turntrans-54.7-21.5177.577.6-168.9-176-1580114.6T202 S580 M581T202-K583 WeakPolarHBondContact CG2-O 3.22Å; S580-K583 VanDerWaalsContact O-CD 3.25Å; S580-K583 WeakPolarHBondContact O-CD 3.47Å; S580-K583 WeakPolarHBondContact O-CE 3.33Å; S580-K583 PolarHBondContact O-NZ 3.3Å; M581-K583 PolarHBondContact O-N 3.06Å
584Y76.2Confident63.8Low16 Ų1660.1 Ų60.16%0.06330%0.299CS..THydrogen-bonded Turntrans-89.60.2-177-60.5-57.1000114.4M198 C201 T202 Y327 M581 Q582M198-Y584 HydrophobicContact CB-CD1 3.89Å; M198-Y584 HydrophobicContact CB-CD2 4.42Å; M198-Y584 HydrophobicContact CB-CE1 3.77Å; M198-Y584 HydrophobicContact CB-CE2 4.28Å; M198-Y584 HydrophobicContact CB-CG 4.22Å; M198-Y584 HydrophobicContact CG-CE2 4.47Å; M198-Y584 HydrophobicContact SD-CE2 4.02Å; C201-Y584 WeakPolarHBondContact CB-O 3.22Å; T202-Y584 HydrophobicContact CG2-CD1 4.35Å; Y327-Y584 HydrophobicContact CD2-CD2 4.44Å; M581-Y584 PolarHBondContact O-N 3.32Å; M581-Y584 HydrophobicContact SD-CD2 4.04Å; M581-Y584 HydrophobicContact SD-CE2 3.81Å; Q582-Y584 PolarHBondContact O-N 3.1Å
585F76.8Confident66.4Low13 Ų1360.5 Ų60.56%0.05729%0.294CS..SBendtrans-126.7150.1-171.1-57.3-63.4000113.8Y327 E330 Y331 M581 Q582Y327-F585 AromaticContact CD2-CE1 3.81Å; Y327-F585 HydrophobicContact CD2-CE1 3.81Å; Y327-F585 HydrophobicContact CD2-CE2 4.49Å; Y327-F585 AromaticContact CD2-CZ 3.5Å; Y327-F585 HydrophobicContact CD2-CZ 3.5Å; Y327-F585 AromaticContact CE2-CE1 3.68Å; Y327-F585 HydrophobicContact CE2-CE1 3.68Å; Y327-F585 AromaticContact CE2-CZ 3.87Å; Y327-F585 HydrophobicContact CE2-CZ 3.87Å; Y327-F585 HydrophobicContact CG-CZ 4.33Å; E330-F585 HydrophobicContact CB-CD2 4.32Å; E330-F585 HydrophobicContact CB-CE1 4.44Å; E330-F585 HydrophobicContact CB-CE2 3.4Å; E330-F585 VanDerWaalsContact CB-CE2 3.4Å; E330-F585 HydrophobicContact CB-CZ 3.47Å; E330-F585 VanDerWaalsContact CB-CZ 3.47Å; E330-F585 HydrophobicContact CG-CE2 4.26Å; Y331-F585 HydrophobicContact CD2-CE1 4.49Å; M581-F585 WeakPolarHBondContact O-CD2 3.46Å; M581-F585 WeakPolarHBondContact O-CE2 3.38Å; Q582-F585 PolarHBondContact O-N 3.45Å; Q582-F585 VanDerWaalsContact O-N 3.15Å
586L71.7Confident69.2Low33 Ų3356 Ų5617%0.17327%0.273CS..PPolyproline II helixtrans-81.1147.4171.6-59-177.2000110.6Y206 N224 F226 Y227Y206-L586 HydrophobicContact CD2-CD2 3.79Å; Y206-L586 HydrophobicContact CE2-CD2 3.46Å; Y206-L586 VanDerWaalsContact CE2-CD2 3.46Å; N224-L586 WeakPolarHBondContact ND2-CD1 3.36Å; F226-L586 HydrophobicContact CB-CD1 3.8Å; F226-L586 HydrophobicContact CD1-CB 4.25Å; F226-L586 HydrophobicContact CD1-CD1 3.77Å; F226-L586 HydrophobicContact CD1-CG 3.94Å; F226-L586 HydrophobicContact CE1-CG 4.47Å; F226-L586 HydrophobicContact CG-CD1 3.89Å; F226-L586 HydrophobicContact CG-CG 4.48Å; Y227-L586 HydrophobicContact CE2-CB 4.35Å; Y227-L586 PolarHBondContact OH-N 2.65Å; Y227-L586 PolarHBondContact OH-O 2.96Å
587P68.2Low71.9Confident13 Ų1349.4 Ų49.48%0.08425%0.245CC..PPolyproline II helixtrans-63.8155.9169.4-19.230.7000112.1Y206 F509 L510 C511Y206-P587 WeakPolarHBondContact OH-CD 3.4Å; Y206-P587 WeakPolarHBondContact OH-CG 3.24Å; F509-P587 HydrophobicContact CB-CB 4.27Å; F509-P587 HydrophobicContact CD1-CB 4.06Å; F509-P587 HydrophobicContact CD1-CG 4.28Å; L510-P587 WeakPolarHBondContact O-CA 3.42Å; C511-P587 HydrophobicContact CB-CB 4.21Å; C511-P587 HydrophobicContact CB-CG 4.05Å
588I70.5Confident74.4Confident7 Ų746.7 Ų46.74%0.03623%0.229CC..BIsolated β-bridgetrans-88.6137.8170.6-57.6-177.5000108.7R334 V337 I341 L510 V514 F590R334-I588 HydrophobicContact CB-CD1 4.3Å; R334-I588 HydrophobicContact CG-CD1 4.3Å; V337-I588 HydrophobicContact CB-CD1 3.87Å; V337-I588 HydrophobicContact CG1-CD1 3.56Å; I341-I588 HydrophobicContact CD1-CG2 3.57Å; L510-I588 PolarHBondContact N-O 2.79Å; L510-I588 VanDerWaalsContact N-O 3.15Å; L510-I588 PolarHBondContact O-N 3.31Å; V514-I588 HydrophobicContact CG2-CD1 4.2Å; I588-F590 HydrophobicContact CG2-CE2 4.17Å
589K69Low76.4Confident74 Ų7448.7 Ų48.732%0.32224%0.242SC..PPolyproline II helixtrans-102.6151.2171-73.7-171.7174.3-172.70109.9Y221 F509Y221-K589 HydrophobicContact CE1-CB 4.43Å; F509-K589 HydrophobicContact CD1-CG 4.41Å; F509-K589 HydrophobicContact CE1-CD 4.45Å; F509-K589 VanDerWaalsContact CE1-CE 3.43Å; F509-K589 HydrophobicContact CE1-CG 4.24Å; F509-K589 VanDerWaalsContact CZ-CE 3.49Å
590F73.1Confident78.2Confident9 Ų943.6 Ų43.64%0.03922%0.219CC..  trans-111.8145.4177.6-80.8-92.6000112.1Y221 I341 F480 I484 L510 I588 V594Y221-F590 PolarHBondContact OH-O 3.49Å; I341-F590 HydrophobicContact CD1-CD1 3.99Å; I341-F590 HydrophobicContact CD1-CE1 3.49Å; I341-F590 VanDerWaalsContact CD1-CE1 3.49Å; I341-F590 HydrophobicContact CD1-CE2 4.12Å; I341-F590 HydrophobicContact CD1-CZ 3.58Å; I341-F590 HydrophobicContact CG1-CD1 4.25Å; I341-F590 HydrophobicContact CG1-CE1 3.74Å; I341-F590 HydrophobicContact CG1-CZ 4.27Å; F480-F590 AromaticContact CD1-CE1 3.39Å; F480-F590 HydrophobicContact CD1-CE1 3.39Å; F480-F590 AromaticContact CD1-CZ 3.87Å; F480-F590 HydrophobicContact CD1-CZ 3.87Å; F480-F590 AromaticContact CE1-CE1 3.55Å; F480-F590 HydrophobicContact CE1-CE1 3.55Å; F480-F590 AromaticContact CE1-CZ 3.9Å; F480-F590 HydrophobicContact CE1-CZ 3.9Å; F480-F590 HydrophobicContact CG-CE1 4.15Å; F480-F590 HydrophobicContact CZ-CE1 4.42Å; I484-F590 HydrophobicContact CD1-CB 4.25Å; I484-F590 HydrophobicContact CD1-CD1 3.97Å; I484-F590 HydrophobicContact CD1-CG 3.98Å; I484-F590 HydrophobicContact CG1-CG 4.49Å; L510-F590 HydrophobicContact CB-CE2 4.38Å; L510-F590 HydrophobicContact CD1-CD2 3.73Å; L510-F590 HydrophobicContact CD1-CE2 3.34Å; L510-F590 HydrophobicContact CD1-CZ 4.25Å; L510-F590 HydrophobicContact CG-CE2 4.46Å; I588-F590 HydrophobicContact CG2-CE2 4.17Å; F590-V594 HydrophobicContact CB-CG1 4.46Å; F590-V594 HydrophobicContact CD1-CG2 4.09Å
591P76.7Confident79.5Confident2 Ų241 Ų411%0.01320%0.2CC..  trans-58.5146.6170.5-2838.5000112.8Y221 I341 E345 N593 V594 W597Y221-P591 HydrophobicContact CD2-CB 4.1Å; Y221-P591 HydrophobicContact CD2-CG 4.3Å; Y221-P591 HydrophobicContact CE2-CB 4.43Å; Y221-P591 HydrophobicContact CG-CB 4.49Å; Y221-P591 HydrophobicContact CG-CG 4.23Å; I341-P591 HydrophobicContact CG2-CG 3.69Å; E345-P591 HydrophobicContact CG-CB 4.46Å; E345-P591 HydrophobicContact CG-CG 4.41Å; E345-P591 WeakPolarHBondContact OE2-CG 3.04Å; P591-N593 VanDerWaalsContact C-N 3.28Å; P591-N593 WeakPolarHBondContact CB-OD1 3.43Å; P591-N593 PolarHBondContact O-N 2.79Å; P591-V594 VanDerWaalsContact O-CB 3.31Å; P591-V594 WeakPolarHBondContact O-CB 3.44Å; P591-V594 WeakPolarHBondContact O-CG1 3.43Å; P591-V594 PolarHBondContact O-N 3.26Å; P591-W597 HydrophobicContact CB-CZ2 3.98Å; P591-W597 HydrophobicContact CG-CH2 4.15Å; P591-W597 HydrophobicContact CG-CZ2 3.86Å
592L76.5Confident80.4Confident146 Ų14644.9 Ų44.976%0.76422%0.217SC*.THydrogen-bonded Turntrans-66.5-31.7-176.4-64.5174.3000112.5V594L592-V594 VanDerWaalsContact C-N 3.27Å; L592-V594 PolarHBondContact O-N 3.33Å
593N82.7Confident81.6Confident15 Ų1545.2 Ų45.28%0.0822%0.221CC..THydrogen-bonded Turntrans-77.71.2176.461.2-21.6000114.2Y348 Y349 P591 K595 E596 W597Y348-N593 WeakPolarHBondContact CD1-ND2 3.29Å; Y348-N593 HydrophobicContact CE1-CB 4.14Å; Y348-N593 VanDerWaalsContact CE1-ND2 3.3Å; Y348-N593 WeakPolarHBondContact CE1-ND2 3.44Å; Y349-N593 PolarHBondContact OH-ND2 3.13Å; P591-N593 VanDerWaalsContact C-N 3.28Å; P591-N593 WeakPolarHBondContact CB-OD1 3.43Å; P591-N593 PolarHBondContact O-N 2.79Å; N593-K595 PolarHBondContact O-N 2.62Å; N593-E596 HydrophobicContact CB-CG 4.38Å; N593-E596 VanDerWaalsContact CB-OE2 3.31Å; N593-E596 WeakPolarHBondContact CB-OE2 3.48Å; N593-E596 WeakPolarHBondContact O-CA 3.47Å; N593-E596 VanDerWaalsContact O-CB 3.29Å; N593-E596 WeakPolarHBondContact O-CB 3.37Å; N593-E596 PolarHBondContact O-N 3.3Å; N593-W597 VanDerWaalsContact CG-NE1 3.33Å; N593-W597 PolarHBondContact ND2-NE1 2.87Å; N593-W597 PolarHBondContact O-N 3.21Å; N593-W597 PolarHBondContact O-NE1 3.13Å; N593-W597 PolarHBondContact OD1-NE1 3.07Å
594V82.8Confident82.5Confident8 Ų839.1 Ų39.15%0.04820%0.195CC..Hα-helixtrans-54.6-29.6-177.967.80000113.8F480 I484 F590 P591 L592 W597F480-V594 HydrophobicContact CB-CG2 4.25Å; I484-V594 HydrophobicContact CD1-CB 4.35Å; I484-V594 HydrophobicContact CD1-CG1 3.57Å; I484-V594 HydrophobicContact CD1-CG2 3.83Å; F590-V594 HydrophobicContact CB-CG1 4.46Å; F590-V594 HydrophobicContact CD1-CG2 4.09Å; P591-V594 VanDerWaalsContact O-CB 3.31Å; P591-V594 WeakPolarHBondContact O-CB 3.44Å; P591-V594 WeakPolarHBondContact O-CG1 3.43Å; P591-V594 PolarHBondContact O-N 3.26Å; L592-V594 VanDerWaalsContact C-N 3.27Å; L592-V594 PolarHBondContact O-N 3.33Å; V594-W597 HydrophobicContact CB-CD2 4.42Å; V594-W597 HydrophobicContact CB-CE3 4.49Å; V594-W597 HydrophobicContact CG2-CD2 4.25Å; V594-W597 HydrophobicContact CG2-CE3 3.85Å; V594-W597 HydrophobicContact CG2-CH2 4.36Å; V594-W597 HydrophobicContact CG2-CZ3 3.92Å
595K83.2Confident83.3Confident148 Ų14839.4 Ų39.464%0.64320%0.197SC*.Hα-helixtrans-73-25.1175.1-64.4-175.6178.6-177.40113.3N593N593-K595 PolarHBondContact O-N 2.62Å
596E88Confident84.1Confident64 Ų6442.2 Ų42.230%0.29921%0.213SC..Hα-helixtrans-81-25.7179.3-50.4-176.8142.300112.1Y348 N593 S598 V599 L600Y348-E596 HydrophobicContact CE2-CB 3.97Å; Y348-E596 VanDerWaalsContact OH-CB 3.25Å; Y348-E596 WeakPolarHBondContact OH-CB 3.47Å; Y348-E596 PolarHBondContact OH-OE2 3.11Å; N593-E596 HydrophobicContact CB-CG 4.38Å; N593-E596 VanDerWaalsContact CB-OE2 3.31Å; N593-E596 WeakPolarHBondContact CB-OE2 3.48Å; N593-E596 WeakPolarHBondContact O-CA 3.47Å; N593-E596 VanDerWaalsContact O-CB 3.29Å; N593-E596 WeakPolarHBondContact O-CB 3.37Å; N593-E596 PolarHBondContact O-N 3.3Å; E596-S598 PolarHBondContact O-N 3.06Å; E596-V599 WeakPolarHBondContact O-CA 3.42Å; E596-V599 WeakPolarHBondContact O-CB 3.48Å; E596-V599 PolarHBondContact O-N 3.15Å; E596-L600 PolarHBondContact O-N 2.92Å
597W91.3Very high85.1Confident0 Ų040.9 Ų40.90%021%0.206CC..Hα-helixtrans-54-50.5-173.8-65.9-1.2000113.1I341 V344 E345 Y348 A477 F480 P591 N593 V594 V599 L600 F601I341-W597 HydrophobicContact CG2-CH2 4.24Å; V344-W597 HydrophobicContact CB-CE3 4.17Å; V344-W597 HydrophobicContact CB-CH2 4.25Å; V344-W597 HydrophobicContact CB-CZ3 3.83Å; V344-W597 HydrophobicContact CG1-CD2 3.9Å; V344-W597 HydrophobicContact CG1-CE3 3.34Å; V344-W597 HydrophobicContact CG1-CH2 4.25Å; V344-W597 HydrophobicContact CG1-CZ3 3.53Å; E345-W597 HydrophobicContact CB-CH2 4.22Å; E345-W597 HydrophobicContact CB-CZ2 3.62Å; E345-W597 HydrophobicContact CG-CZ2 3.93Å; Y348-W597 HydrophobicContact CD2-CB 4.37Å; Y348-W597 AromaticContact CD2-CD1 3.37Å; Y348-W597 HydrophobicContact CD2-CG 4.12Å; Y348-W597 AromaticContact CE2-CD1 3.84Å; Y348-W597 AromaticContact CG-CD1 3.49Å; Y348-W597 VanDerWaalsContact CG-CD1 3.49Å; Y348-W597 HydrophobicContact CG-CG 4.41Å; Y348-W597 AromaticContact CG-NE1 3.81Å; A477-W597 HydrophobicContact CB-CB 3.68Å; F480-W597 HydrophobicContact CD2-CE3 4.41Å; F480-W597 HydrophobicContact CD2-CZ3 4Å; F480-W597 HydrophobicContact CE2-CZ3 4.18Å; P591-W597 HydrophobicContact CB-CZ2 3.98Å; P591-W597 HydrophobicContact CG-CH2 4.15Å; P591-W597 HydrophobicContact CG-CZ2 3.86Å; N593-W597 VanDerWaalsContact CG-NE1 3.33Å; N593-W597 PolarHBondContact ND2-NE1 2.87Å; N593-W597 PolarHBondContact O-N 3.21Å; N593-W597 PolarHBondContact O-NE1 3.13Å; N593-W597 PolarHBondContact OD1-NE1 3.07Å; V594-W597 HydrophobicContact CB-CD2 4.42Å; V594-W597 HydrophobicContact CB-CE3 4.49Å; V594-W597 HydrophobicContact CG2-CD2 4.25Å; V594-W597 HydrophobicContact CG2-CE3 3.85Å; V594-W597 HydrophobicContact CG2-CH2 4.36Å; V594-W597 HydrophobicContact CG2-CZ3 3.92Å; W597-V599 VanDerWaalsContact C-N 3.28Å; W597-V599 PolarHBondContact O-N 3.35Å; W597-L600 PolarHBondContact O-N 2.98Å; W597-F601 HydrophobicContact CB-CD2 4.38Å; W597-F601 HydrophobicContact CB-CE2 3.9Å; W597-F601 WeakPolarHBondContact O-CD2 3.33Å; W597-F601 WeakPolarHBondContact O-CG 3.43Å; W597-F601 PolarHBondContact O-N 2.82Å
598S88.5Confident86.2Confident12 Ų1240.3 Ų40.38%0.08420%0.202CC..Hα-helixtrans-65.9-30.5178.6-178.40000112.6D474 S478 E596 K602D474-S598 WeakPolarHBondContact OD1-CB 3.16Å; D474-S598 PolarHBondContact OD1-OG 3.48Å; S478-S598 PolarHBondContact OG-OG 3.33Å; E596-S598 PolarHBondContact O-N 3.06Å; S598-K602 WeakPolarHBondContact O-CB 3.46Å; S598-K602 WeakPolarHBondContact O-CG 3.34Å; S598-K602 PolarHBondContact O-N 3Å; S598-K602 PolarHBondContact OG-NZ 3.26Å
599V91.1Very high87.2Confident94 Ų9442.4 Ų42.457%0.5722%0.217SC*.Hα-helixtrans-68.7-46.1176.8-175.20000110.3E596 W597 N603E596-V599 WeakPolarHBondContact O-CA 3.42Å; E596-V599 WeakPolarHBondContact O-CB 3.48Å; E596-V599 PolarHBondContact O-N 3.15Å; W597-V599 VanDerWaalsContact C-N 3.28Å; W597-V599 PolarHBondContact O-N 3.35Å; V599-N603 WeakPolarHBondContact O-CB 3.41Å; V599-N603 PolarHBondContact O-N 3.14Å
600L92.8Very high88.3Confident11 Ų1142.3 Ų42.36%0.05822%0.219CC..Hα-helixtrans-61.9-48174.9177.670.3000111.5Y348 F351 T352 A355 E596 W597 K602 N603 M604Y348-L600 HydrophobicContact CD2-CB 4Å; Y348-L600 HydrophobicContact CD2-CD2 3.31Å; Y348-L600 HydrophobicContact CD2-CG 4.29Å; Y348-L600 HydrophobicContact CE2-CB 3.71Å; Y348-L600 HydrophobicContact CE2-CD2 3.6Å; Y348-L600 HydrophobicContact CE2-CG 4.27Å; Y348-L600 HydrophobicContact CG-CD2 4.06Å; Y348-L600 VanDerWaalsContact O-CD2 3.24Å; Y348-L600 WeakPolarHBondContact O-CD2 3.24Å; F351-L600 HydrophobicContact CB-CD2 4.16Å; T352-L600 WeakPolarHBondContact OG1-CD2 3.4Å; A355-L600 HydrophobicContact CB-CD1 4.12Å; E596-L600 PolarHBondContact O-N 2.92Å; W597-L600 PolarHBondContact O-N 2.98Å; L600-K602 PolarHBondContact O-N 3.48Å; L600-N603 PolarHBondContact O-N 3.21Å; L600-M604 HydrophobicContact CD1-CG 4.28Å; L600-M604 HydrophobicContact CG-CG 4.42Å; L600-M604 WeakPolarHBondContact O-CB 3.21Å; L600-M604 WeakPolarHBondContact O-CG 3.48Å; L600-M604 PolarHBondContact O-N 2.93Å
601F93.9Very high89.2Confident0 Ų044.3 Ų44.30%023%0.23CC..Hα-helixtrans-67.8-34.5-175.8-58.5-37.3000112.3V344 F351 L473 D474 A477 W597 M604 I605V344-F601 HydrophobicContact CG1-CE2 3.91Å; V344-F601 HydrophobicContact CG1-CZ 4.16Å; F351-F601 HydrophobicContact CD2-CD1 4.49Å; F351-F601 AromaticContact CD2-CE1 3.99Å; F351-F601 HydrophobicContact CD2-CE1 3.99Å; L473-F601 HydrophobicContact CB-CD1 4.17Å; L473-F601 HydrophobicContact CB-CD2 3.66Å; L473-F601 HydrophobicContact CB-CE1 4.29Å; L473-F601 HydrophobicContact CB-CE2 3.78Å; L473-F601 HydrophobicContact CB-CG 3.88Å; L473-F601 HydrophobicContact CB-CZ 4.1Å; L473-F601 HydrophobicContact CD1-CD1 4.43Å; L473-F601 HydrophobicContact CD1-CE1 4.14Å; L473-F601 HydrophobicContact CD1-CZ 4.35Å; L473-F601 HydrophobicContact CD2-CE2 4.39Å; L473-F601 HydrophobicContact CD2-CZ 4.3Å; L473-F601 WeakPolarHBondContact O-CD2 3.48Å; D474-F601 HydrophobicContact CB-CB 3.84Å; A477-F601 HydrophobicContact CB-CD2 3.96Å; A477-F601 HydrophobicContact CB-CE2 4.11Å; W597-F601 HydrophobicContact CB-CD2 4.38Å; W597-F601 HydrophobicContact CB-CE2 3.9Å; W597-F601 WeakPolarHBondContact O-CD2 3.33Å; W597-F601 WeakPolarHBondContact O-CG 3.43Å; W597-F601 PolarHBondContact O-N 2.82Å; F601-M604 PolarHBondContact O-N 2.84Å; F601-I605 WeakPolarHBondContact O-CD1 3.34Å; F601-I605 VanDerWaalsContact O-CG1 3.24Å; F601-I605 WeakPolarHBondContact O-CG1 3.21Å; F601-I605 PolarHBondContact O-N 3.37Å
602K92.5Very high89.9Confident87 Ų8744.2 Ų44.238%0.37823%0.23SC..Hα-helixtrans-64-50.8169.3-75.3177.7172.966.80112D474 S478 S598 L600 M604 I605 D606D474-K602 IonicContact OD1-NZ 3.9Å; D474-K602 PolarHBondContact OD1-NZ 2.59Å; D474-K602 WeakPolarHBondContact OD2-CE 3.45Å; D474-K602 WeakPolarHBondContact OD2-CG 3.45Å; D474-K602 IonicContact OD2-NZ 2.62Å; D474-K602 PolarHBondContact OD2-NZ 3.22Å; S478-K602 PolarHBondContact OG-NZ 3.04Å; S598-K602 WeakPolarHBondContact O-CB 3.46Å; S598-K602 WeakPolarHBondContact O-CG 3.34Å; S598-K602 PolarHBondContact O-N 3Å; S598-K602 PolarHBondContact OG-NZ 3.26Å; L600-K602 PolarHBondContact O-N 3.48Å; K602-M604 PolarHBondContact O-N 3.49Å; K602-I605 WeakPolarHBondContact O-CA 3.38Å; K602-I605 WeakPolarHBondContact O-CB 3.44Å; K602-I605 PolarHBondContact O-N 3.44Å; K602-D606 PolarHBondContact O-N 2.82Å
603N93Very high90.6Very high70 Ų7039.2 Ų39.237%0.37421%0.206SC..Hα-helixtrans-55.3-40176.2-174.937.3000112.1V599 L600 D606 L607V599-N603 WeakPolarHBondContact O-CB 3.41Å; V599-N603 PolarHBondContact O-N 3.14Å; L600-N603 PolarHBondContact O-N 3.21Å; N603-D606 PolarHBondContact O-N 2.8Å; N603-L607 WeakPolarHBondContact O-CB 3.45Å; N603-L607 VanDerWaalsContact O-CG 3.27Å; N603-L607 WeakPolarHBondContact O-CG 3.35Å; N603-L607 PolarHBondContact O-N 3.06Å
604M93.6Very high90.9Very high0 Ų043.6 Ų43.60%022%0.224CC..Hα-helixtrans-67.9-32.6174.7-77.9-69-75.100113.8F351 L354 A355 W358 L470 L600 F601 K602 L607 A608F351-M604 HydrophobicContact CB-CE 4.21Å; F351-M604 HydrophobicContact CB-CG 4.49Å; F351-M604 HydrophobicContact CD1-CE 3.82Å; F351-M604 HydrophobicContact CG-CE 4.36Å; L354-M604 HydrophobicContact CB-CE 4.05Å; L354-M604 HydrophobicContact CD2-CE 3.85Å; L354-M604 HydrophobicContact CG-CE 3.95Å; A355-M604 VanDerWaalsContact CA-SD 3.54Å; A355-M604 HydrophobicContact CB-CG 4.25Å; A355-M604 HydrophobicContact CB-SD 3.51Å; A355-M604 VanDerWaalsContact CB-SD 3.51Å; W358-M604 HydrophobicContact CE3-CE 3.85Å; W358-M604 HydrophobicContact CE3-SD 3.79Å; W358-M604 HydrophobicContact CH2-CE 3.63Å; W358-M604 HydrophobicContact CZ2-CE 4.43Å; W358-M604 HydrophobicContact CZ3-CE 3.29Å; W358-M604 HydrophobicContact CZ3-SD 3.69Å; L470-M604 HydrophobicContact CD1-CB 3.98Å; L470-M604 HydrophobicContact CD1-CE 4.48Å; L470-M604 HydrophobicContact CD2-CB 3.8Å; L470-M604 HydrophobicContact CD2-CE 4.4Å; L470-M604 HydrophobicContact CD2-CG 4.45Å; L470-M604 HydrophobicContact CG-CB 4.47Å; L600-M604 HydrophobicContact CD1-CG 4.28Å; L600-M604 HydrophobicContact CG-CG 4.42Å; L600-M604 WeakPolarHBondContact O-CB 3.21Å; L600-M604 WeakPolarHBondContact O-CG 3.48Å; L600-M604 PolarHBondContact O-N 2.93Å; F601-M604 PolarHBondContact O-N 2.84Å; K602-M604 PolarHBondContact O-N 3.49Å; M604-L607 HydrophobicContact SD-CD1 4.35Å; M604-A608 WeakPolarHBondContact O-CB 3.37Å; M604-A608 PolarHBondContact O-N 3.23Å; M604-A608 VanDerWaalsContact O-N 3.09Å
605I93.8Very high91.2Very high21 Ų2143.3 Ų43.311%0.10822%0.223CC..Hα-helixtrans-67.5-42.9172.1-71.4160.5000110.3L467 L470 K471 D474 F601 K602 A608 S609L467-I605 HydrophobicContact CD1-CB 4.46Å; L467-I605 HydrophobicContact CD1-CG1 4.43Å; L467-I605 HydrophobicContact CD1-CG2 4.03Å; L470-I605 HydrophobicContact CB-CD1 4.42Å; L470-I605 HydrophobicContact CB-CG1 3.78Å; K471-I605 HydrophobicContact CB-CD1 4.5Å; K471-I605 HydrophobicContact CG-CD1 3.7Å; K471-I605 HydrophobicContact CG-CG1 4.11Å; D474-I605 HydrophobicContact CB-CD1 4.1Å; F601-I605 WeakPolarHBondContact O-CD1 3.34Å; F601-I605 VanDerWaalsContact O-CG1 3.24Å; F601-I605 WeakPolarHBondContact O-CG1 3.21Å; F601-I605 PolarHBondContact O-N 3.37Å; K602-I605 WeakPolarHBondContact O-CA 3.38Å; K602-I605 WeakPolarHBondContact O-CB 3.44Å; K602-I605 PolarHBondContact O-N 3.44Å; I605-A608 PolarHBondContact O-N 3.45Å; I605-S609 WeakPolarHBondContact O-CB 3.35Å; I605-S609 PolarHBondContact O-N 2.99Å; I605-S609 PolarHBondContact O-OG 3.41Å
606D92.8Very high91.6Very high73 Ų7336.4 Ų36.439%0.3919%0.194SC..Hα-helixtrans-67-49.3-179.6-63.8-34.2000110.7K602 N603 A608 S609 I610 D611K602-D606 PolarHBondContact O-N 2.82Å; N603-D606 PolarHBondContact O-N 2.8Å; D606-A608 VanDerWaalsContact C-N 3.31Å; D606-A608 PolarHBondContact O-N 3.15Å; D606-S609 PolarHBondContact O-N 3.49Å; D606-I610 HydrophobicContact CB-CD1 4.41Å; D606-I610 WeakPolarHBondContact O-CA 3.22Å; D606-I610 VanDerWaalsContact O-CB 3.24Å; D606-I610 WeakPolarHBondContact O-CB 3.38Å; D606-I610 PolarHBondContact O-N 3.23Å; D606-D611 PolarHBondContact O-N 3.48Å
607L92.3Very high91.5Very high5 Ų537.2 Ų37.23%0.02620%0.2CC..Iπ-helixtrans-53.8-45.3172.7-71.8166.2000112.3A355 W358 N359 I362 N603 M604 L612A355-L607 HydrophobicContact CB-CD1 4.44Å; W358-L607 HydrophobicContact CE3-CB 4.01Å; N359-L607 WeakPolarHBondContact ND2-CD1 3.14Å; I362-L607 HydrophobicContact CD1-CD2 4.11Å; N603-L607 WeakPolarHBondContact O-CB 3.45Å; N603-L607 VanDerWaalsContact O-CG 3.27Å; N603-L607 WeakPolarHBondContact O-CG 3.35Å; N603-L607 PolarHBondContact O-N 3.06Å; M604-L607 HydrophobicContact SD-CD1 4.35Å; L607-L612 WeakPolarHBondContact O-CB 3.35Å; L607-L612 WeakPolarHBondContact O-CG 3.21Å; L607-L612 PolarHBondContact O-N 2.98Å
608A92.1Very high91.3Very high0 Ų040.6 Ų40.60%022%0.216CC..Iπ-helixtrans-74.1-29.4-176.900000114.7W358 L467 M604 I605 D606W358-A608 HydrophobicContact CH2-CB 4.3Å; W358-A608 HydrophobicContact CZ3-CB 4.01Å; L467-A608 HydrophobicContact CD1-CB 4.39Å; M604-A608 WeakPolarHBondContact O-CB 3.37Å; M604-A608 PolarHBondContact O-N 3.23Å; M604-A608 VanDerWaalsContact O-N 3.09Å; I605-A608 PolarHBondContact O-N 3.45Å; D606-A608 VanDerWaalsContact C-N 3.31Å; D606-A608 PolarHBondContact O-N 3.15Å
609S91.9Very high91.1Very high51 Ų5140 Ų4036%0.35721%0.212SC..Iπ-helixtrans-112.7-10.4-172.9660000115.1I605 D606I605-S609 WeakPolarHBondContact O-CB 3.35Å; I605-S609 PolarHBondContact O-N 2.99Å; I605-S609 PolarHBondContact O-OG 3.41Å; D606-S609 PolarHBondContact O-N 3.49Å
610I91.8Very high90.9Very high73 Ų7338.9 Ų38.937%0.37420%0.202SC..Iπ-helixtrans-124.1-58.3-177.2-55.9179.3000110.5D606 K614D606-I610 HydrophobicContact CB-CD1 4.41Å; D606-I610 WeakPolarHBondContact O-CA 3.22Å; D606-I610 VanDerWaalsContact O-CB 3.24Å; D606-I610 WeakPolarHBondContact O-CB 3.38Å; D606-I610 PolarHBondContact O-N 3.23Å; I610-K614 HydrophobicContact CG2-CD 4.43Å; I610-K614 VanDerWaalsContact CG2-CE 3.41Å; I610-K614 VanDerWaalsContact O-CG 3.26Å; I610-K614 WeakPolarHBondContact O-CG 3.49Å; I610-K614 PolarHBondContact O-N 2.93Å
611D91Very high90.5Very high51 Ų5141.1 Ų41.127%0.27321%0.21SC..Iπ-helixtrans-89.3-35.6-164.6-62.2-48.5000114.9I362 D606 K614 A615I362-D611 HydrophobicContact CD1-CB 4.1Å; D606-D611 PolarHBondContact O-N 3.48Å; D611-K614 PolarHBondContact O-N 3.44Å; D611-K614 IonicContact OD1-NZ 2.85Å; D611-K614 PolarHBondContact OD1-NZ 3.06Å; D611-A615 PolarHBondContact O-N 2.91Å
612L91.9Very high89.9Confident0 Ų041.1 Ų41.10%021%0.21CC..Hα-helixtrans-62.2-45.3170-75.6170000112.5W358 I362 A459 E460 L607 K614 A615 A616W358-L612 HydrophobicContact CB-CD1 4.45Å; W358-L612 HydrophobicContact CD2-CD1 3.71Å; W358-L612 HydrophobicContact CE3-CD1 3.94Å; W358-L612 HydrophobicContact CG-CD1 3.96Å; W358-L612 HydrophobicContact CZ3-CD1 4.43Å; I362-L612 HydrophobicContact CD1-CD2 4.07Å; I362-L612 HydrophobicContact CD1-CG 4.28Å; I362-L612 HydrophobicContact CG1-CD2 4.11Å; A459-L612 HydrophobicContact CB-CD1 4.1Å; A459-L612 HydrophobicContact CB-CD2 3.7Å; E460-L612 HydrophobicContact CB-CB 4.38Å; E460-L612 HydrophobicContact CG-CB 4.42Å; L607-L612 WeakPolarHBondContact O-CB 3.35Å; L607-L612 WeakPolarHBondContact O-CG 3.21Å; L607-L612 PolarHBondContact O-N 2.98Å; L612-K614 VanDerWaalsContact C-N 3.35Å; L612-K614 PolarHBondContact O-N 2.94Å; L612-A615 PolarHBondContact O-N 2.65Å; L612-A616 WeakPolarHBondContact O-CB 3.34Å; L612-A616 PolarHBondContact O-N 2.98Å
613P91.7Very high89.4Confident40 Ų4038.4 Ų38.426%0.2620%0.2SC..Hα-helixtrans-60.9-35.6172.8-26.936.1000114.5E460 A616 D617E460-P613 HydrophobicContact CG-CG 4.15Å; P613-A616 PolarHBondContact O-N 2.97Å; P613-D617 PolarHBondContact O-N 3.41Å
614K89.3Confident88.9Confident107 Ų10738.1 Ų38.147%0.46520%0.196SC..Hα-helixtrans-63.6-46172.4-74.3169.5-165.8164.20111.5I610 D611 L612 A616 D617 Q618I610-K614 HydrophobicContact CG2-CD 4.43Å; I610-K614 VanDerWaalsContact CG2-CE 3.41Å; I610-K614 VanDerWaalsContact O-CG 3.26Å; I610-K614 WeakPolarHBondContact O-CG 3.49Å; I610-K614 PolarHBondContact O-N 2.93Å; D611-K614 PolarHBondContact O-N 3.44Å; D611-K614 IonicContact OD1-NZ 2.85Å; D611-K614 PolarHBondContact OD1-NZ 3.06Å; L612-K614 VanDerWaalsContact C-N 3.35Å; L612-K614 PolarHBondContact O-N 2.94Å; K614-A616 VanDerWaalsContact C-N 3.3Å; K614-A616 PolarHBondContact O-N 3.48Å; K614-D617 PolarHBondContact O-N 3.32Å; K614-Q618 WeakPolarHBondContact O-CB 3.22Å; K614-Q618 VanDerWaalsContact O-CG 3.28Å; K614-Q618 WeakPolarHBondContact O-CG 3.32Å; K614-Q618 PolarHBondContact O-N 3.18Å
615A89.3Confident88.2Confident2 Ų238.1 Ų38.12%0.01720%0.196CC..Hα-helixtrans-63.1-38.9178.700000111.2I362 L365 I456 D611 L612 Q618 I619I362-A615 HydrophobicContact CG1-CB 4.24Å; L365-A615 HydrophobicContact CD2-CB 3.9Å; L365-A615 WeakPolarHBondContact CD2-O 3.23Å; I456-A615 HydrophobicContact CD1-CB 4.38Å; I456-A615 HydrophobicContact CG2-CB 4Å; D611-A615 PolarHBondContact O-N 2.91Å; L612-A615 PolarHBondContact O-N 2.65Å; A615-Q618 PolarHBondContact O-N 3.49Å; A615-I619 WeakPolarHBondContact O-CG2 3.37Å; A615-I619 PolarHBondContact O-N 3.2Å
616A90.5Very high87.4Confident4 Ų437.3 Ų37.33%0.03319%0.192CC..Hα-helixtrans-63-45.517500000112.6I456 L457 E460 L612 P613 K614 N620I456-A616 HydrophobicContact CG2-CB 4.03Å; L457-A616 HydrophobicContact CD2-CB 4.2Å; E460-A616 VanDerWaalsContact OE2-CB 3.31Å; E460-A616 WeakPolarHBondContact OE2-CB 3.35Å; L612-A616 WeakPolarHBondContact O-CB 3.34Å; L612-A616 PolarHBondContact O-N 2.98Å; P613-A616 PolarHBondContact O-N 2.97Å; K614-A616 VanDerWaalsContact C-N 3.3Å; K614-A616 PolarHBondContact O-N 3.48Å; A616-N620 WeakPolarHBondContact O-CB 3.34Å; A616-N620 PolarHBondContact O-N 3.08Å; A616-N620 VanDerWaalsContact O-N 3.14Å; A616-N620 PolarHBondContact O-ND2 3.4Å
617D87.6Confident86.9Confident81 Ų8136.6 Ų36.643%0.43319%0.19SC..Hα-helixtrans-60.6-48.3173.3175.276.5000111.6P613 K614 I619 N620 R621P613-D617 PolarHBondContact O-N 3.41Å; K614-D617 PolarHBondContact O-N 3.32Å; D617-I619 PolarHBondContact O-N 2.82Å; D617-N620 PolarHBondContact O-N 3.48Å; D617-R621 VanDerWaalsContact CG-CD 3.4Å; D617-R621 WeakPolarHBondContact O-CB 3.21Å; D617-R621 WeakPolarHBondContact O-CD 3.07Å; D617-R621 VanDerWaalsContact O-CG 3.26Å; D617-R621 WeakPolarHBondContact O-CG 3.28Å; D617-R621 PolarHBondContact O-N 2.88Å; D617-R621 WeakPolarHBondContact OD1-CD 3.27Å; D617-R621 WeakPolarHBondContact OD2-CD 3.27Å; D617-R621 IonicContact OD2-CZ 3.18Å; D617-R621 IonicContact OD2-NE 2.7Å; D617-R621 IonicContact OD2-NH1 2.77Å; D617-R621 PolarHBondContact OD2-NH1 3.41Å
618Q85.2Confident86.2Confident70 Ų7037.5 Ų37.533%0.32719%0.194SC..Hα-helixtrans-59.3-49.3-178.9-76174.86.400112.1L365 K614 A615 R621 L622L365-Q618 HydrophobicContact CD2-CB 3.89Å; K614-Q618 WeakPolarHBondContact O-CB 3.22Å; K614-Q618 VanDerWaalsContact O-CG 3.28Å; K614-Q618 WeakPolarHBondContact O-CG 3.32Å; K614-Q618 PolarHBondContact O-N 3.18Å; A615-Q618 PolarHBondContact O-N 3.49Å; Q618-R621 PolarHBondContact O-N 2.89Å; Q618-L622 VanDerWaalsContact O-CB 3.26Å; Q618-L622 WeakPolarHBondContact O-CB 3.39Å; Q618-L622 PolarHBondContact O-N 3.35Å
619I85.9Confident85.5Confident0 Ų037.7 Ų37.70%020%0.195CC..Hα-helixtrans-70.8-36.9-177.8-163.8161.8000112.9L365 L452 S453 I456 A615 D617 R621 L622 L623L365-I619 HydrophobicContact CD1-CB 3.84Å; L365-I619 HydrophobicContact CD1-CD1 4.05Å; L365-I619 HydrophobicContact CD1-CG1 4.04Å; L365-I619 HydrophobicContact CD2-CB 4.42Å; L452-I619 HydrophobicContact CB-CD1 3.7Å; L452-I619 HydrophobicContact CD2-CD1 3.8Å; L452-I619 HydrophobicContact CG-CD1 3.54Å; S453-I619 VanDerWaalsContact N-CD1 3.32Å; I456-I619 HydrophobicContact CD1-CB 4.43Å; I456-I619 HydrophobicContact CD1-CD1 4Å; I456-I619 HydrophobicContact CD1-CG2 4.23Å; I456-I619 HydrophobicContact CG2-CG2 4.38Å; A615-I619 WeakPolarHBondContact O-CG2 3.37Å; A615-I619 PolarHBondContact O-N 3.2Å; D617-I619 PolarHBondContact O-N 2.82Å; I619-R621 VanDerWaalsContact C-N 3.34Å; I619-R621 PolarHBondContact O-N 3.07Å; I619-L622 PolarHBondContact O-N 3.11Å; I619-L623 WeakPolarHBondContact O-CB 3.42Å; I619-L623 PolarHBondContact O-N 3.13Å
620N87Confident84.9Confident70 Ų7038.1 Ų38.137%0.37419%0.193SC..Hα-helixtrans-64.7-38.9175.9-81.4-72000112A616 D617 Q624A616-N620 WeakPolarHBondContact O-CB 3.34Å; A616-N620 PolarHBondContact O-N 3.08Å; A616-N620 VanDerWaalsContact O-N 3.14Å; A616-N620 PolarHBondContact O-ND2 3.4Å; D617-N620 PolarHBondContact O-N 3.48Å; N620-Q624 WeakPolarHBondContact O-CB 3.41Å; N620-Q624 PolarHBondContact O-N 2.67Å
621R83.4Confident84.4Confident58 Ų5837.2 Ų37.222%0.21919%0.189CC..Hα-helixtrans-71.7-32.7175.9-69.7163.963.1-148.8-1.6112.3D617 Q618 I619 L625 R690 L691 L694D617-R621 VanDerWaalsContact CG-CD 3.4Å; D617-R621 WeakPolarHBondContact O-CB 3.21Å; D617-R621 WeakPolarHBondContact O-CD 3.07Å; D617-R621 VanDerWaalsContact O-CG 3.26Å; D617-R621 WeakPolarHBondContact O-CG 3.28Å; D617-R621 PolarHBondContact O-N 2.88Å; D617-R621 WeakPolarHBondContact OD1-CD 3.27Å; D617-R621 WeakPolarHBondContact OD2-CD 3.27Å; D617-R621 IonicContact OD2-CZ 3.18Å; D617-R621 IonicContact OD2-NE 2.7Å; D617-R621 IonicContact OD2-NH1 2.77Å; D617-R621 PolarHBondContact OD2-NH1 3.41Å; Q618-R621 PolarHBondContact O-N 2.89Å; I619-R621 VanDerWaalsContact C-N 3.34Å; I619-R621 PolarHBondContact O-N 3.07Å; R621-L625 PolarHBondContact O-N 3Å; R621-L625 VanDerWaalsContact O-N 3.11Å; R621-R690 PolarHBondContact NE-O 3.08Å; R621-R690 PolarHBondContact NH2-O 3.36Å; R621-L691 HydrophobicContact CB-CD2 4.44Å; R621-L691 VanDerWaalsContact O-CD2 3.32Å; R621-L691 WeakPolarHBondContact O-CD2 3.09Å; R621-L694 HydrophobicContact CB-CD1 3.61Å
622L80.8Confident84Confident0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-70.1-43.6174.8-171.564000111.7L365 L369 L449 Q618 I619 L625 Y626 L694L365-L622 HydrophobicContact CD1-CD2 4.36Å; L369-L622 HydrophobicContact CD2-CD2 4.37Å; L449-L622 HydrophobicContact CD2-CD2 3.94Å; Q618-L622 VanDerWaalsContact O-CB 3.26Å; Q618-L622 WeakPolarHBondContact O-CB 3.39Å; Q618-L622 PolarHBondContact O-N 3.35Å; I619-L622 PolarHBondContact O-N 3.11Å; L622-L625 HydrophobicContact CD1-CD2 4.45Å; L622-L625 WeakPolarHBondContact O-CB 3.17Å; L622-L625 PolarHBondContact O-N 3.45Å; L622-Y626 HydrophobicContact CD1-CD2 4.26Å; L622-Y626 HydrophobicContact CD1-CE2 3.55Å; L622-Y626 HydrophobicContact CD2-CE2 4.45Å; L622-Y626 HydrophobicContact CG-CD2 4.15Å; L622-Y626 HydrophobicContact CG-CE2 3.71Å; L622-Y626 WeakPolarHBondContact O-CD2 3.49Å; L622-Y626 PolarHBondContact O-N 2.99Å; L622-Y626 VanDerWaalsContact O-N 3.16Å; L622-L694 HydrophobicContact CB-CD1 4.2Å; L622-L694 HydrophobicContact CD1-CD1 4.5Å
623L83.4Confident83.5Confident31 Ų3135.9 Ų35.916%0.16219%0.185CC..Hα-helixtrans-59.5-49.2173.5-175.563.5000110.7L446 L449 E450 I619 L625 Y626 T627L446-L623 HydrophobicContact CD2-CD1 4.04Å; L449-L623 HydrophobicContact CB-CD1 4.2Å; E450-L623 HydrophobicContact CG-CD1 3.86Å; E450-L623 HydrophobicContact CG-CD2 4.29Å; I619-L623 WeakPolarHBondContact O-CB 3.42Å; I619-L623 PolarHBondContact O-N 3.13Å; L623-L625 VanDerWaalsContact C-N 3.28Å; L623-L625 PolarHBondContact O-N 3.27Å; L623-Y626 PolarHBondContact O-N 3.02Å; L623-Y626 VanDerWaalsContact O-N 3.14Å; L623-T627 PolarHBondContact O-N 3.29Å; L623-T627 PolarHBondContact O-OG1 2.94Å
624Q82Confident83Confident63 Ų6336.5 Ų36.529%0.29419%0.191SC..Hα-helixtrans-57.3-37.1175.7173.7162.278.300113.4N620 E628 L680N620-Q624 WeakPolarHBondContact O-CB 3.41Å; N620-Q624 PolarHBondContact O-N 2.67Å; Q624-E628 WeakPolarHBondContact O-CG 3.37Å; Q624-E628 PolarHBondContact O-N 2.87Å; Q624-E628 VanDerWaalsContact O-N 3.16Å; Q624-L680 HydrophobicContact CG-CD2 4.19Å
625L78.4Confident82.9Confident0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-62.4-49.1175170.465.1000111.5R621 L622 L623 E628 I629 F687 L691 L695 L699R621-L625 PolarHBondContact O-N 3Å; R621-L625 VanDerWaalsContact O-N 3.11Å; L622-L625 HydrophobicContact CD1-CD2 4.45Å; L622-L625 WeakPolarHBondContact O-CB 3.17Å; L622-L625 PolarHBondContact O-N 3.45Å; L623-L625 VanDerWaalsContact C-N 3.28Å; L623-L625 PolarHBondContact O-N 3.27Å; L625-E628 PolarHBondContact O-N 2.91Å; L625-I629 HydrophobicContact CD1-CD1 3.82Å; L625-I629 HydrophobicContact CD1-CG1 4.44Å; L625-I629 HydrophobicContact CG-CD1 4.01Å; L625-I629 WeakPolarHBondContact O-CG1 3.34Å; L625-I629 PolarHBondContact O-N 3.06Å; L625-I629 VanDerWaalsContact O-N 3.13Å; L625-F687 HydrophobicContact CD1-CZ 3.98Å; L625-L691 HydrophobicContact CB-CD1 4.4Å; L625-L691 HydrophobicContact CB-CD2 4.05Å; L625-L691 HydrophobicContact CD1-CD1 4.08Å; L625-L695 HydrophobicContact CD1-CD2 4.09Å; L625-L695 HydrophobicContact CD2-CD2 4.38Å; L625-L699 HydrophobicContact CD1-CD2 4.39Å; L625-L699 HydrophobicContact CD2-CD1 4.4Å; L625-L699 HydrophobicContact CD2-CD2 4.06Å
626Y77.4Confident82.7Confident5 Ų532.2 Ų32.22%0.0217%0.172CC..Hα-helixtrans-70.3-37.3-179.2-69.4-65.7000112.8S418 I421 L449 L622 L623 E628 I629 D630S418-Y626 VanDerWaalsContact CA-OH 3.29Å; S418-Y626 WeakPolarHBondContact CA-OH 3.48Å; S418-Y626 WeakPolarHBondContact CB-OH 3.09Å; I421-Y626 HydrophobicContact CD1-CD1 3.8Å; I421-Y626 HydrophobicContact CD1-CE1 3.67Å; I421-Y626 HydrophobicContact CG2-CD1 4.34Å; L449-Y626 HydrophobicContact CD1-CD2 3.35Å; L449-Y626 HydrophobicContact CD1-CE2 3.64Å; L449-Y626 HydrophobicContact CD1-CG 4.27Å; L622-Y626 HydrophobicContact CD1-CD2 4.26Å; L622-Y626 HydrophobicContact CD1-CE2 3.55Å; L622-Y626 HydrophobicContact CD2-CE2 4.45Å; L622-Y626 HydrophobicContact CG-CD2 4.15Å; L622-Y626 HydrophobicContact CG-CE2 3.71Å; L622-Y626 WeakPolarHBondContact O-CD2 3.49Å; L622-Y626 PolarHBondContact O-N 2.99Å; L622-Y626 VanDerWaalsContact O-N 3.16Å; L623-Y626 PolarHBondContact O-N 3.02Å; L623-Y626 VanDerWaalsContact O-N 3.14Å; Y626-E628 VanDerWaalsContact C-N 3.35Å; Y626-E628 PolarHBondContact O-N 2.78Å; Y626-I629 HydrophobicContact CD1-CD1 4.46Å; Y626-I629 PolarHBondContact O-N 3.35Å; Y626-D630 WeakPolarHBondContact O-CB 3.2Å; Y626-D630 PolarHBondContact O-N 3.48Å
627T81.7Confident82.4Confident57 Ų5736.5 Ų36.535%0.3519%0.19SC..Hα-helixtrans-62.1-39.3174.9-500000112.2L623 N631L623-T627 PolarHBondContact O-N 3.29Å; L623-T627 PolarHBondContact O-OG1 2.94Å; T627-N631 VanDerWaalsContact O-CB 3.26Å; T627-N631 WeakPolarHBondContact O-CB 3.33Å; T627-N631 VanDerWaalsContact O-CG 3.25Å; T627-N631 PolarHBondContact O-N 3.04Å; T627-N631 PolarHBondContact O-ND2 3.04Å; T627-N631 VanDerWaalsContact O-ND2 3.15Å
628E77.9Confident82.3Confident24 Ų2436.3 Ų36.311%0.11219%0.187CC..Hα-helixtrans-68.9-33.9174.2-73.5-81.8145.900112.5Q624 L625 Y626 A632 L680 L681Q624-E628 WeakPolarHBondContact O-CG 3.37Å; Q624-E628 PolarHBondContact O-N 2.87Å; Q624-E628 VanDerWaalsContact O-N 3.16Å; L625-E628 PolarHBondContact O-N 2.91Å; Y626-E628 VanDerWaalsContact C-N 3.35Å; Y626-E628 PolarHBondContact O-N 2.78Å; E628-A632 WeakPolarHBondContact O-CB 3.31Å; E628-A632 PolarHBondContact O-N 3.12Å; E628-A632 VanDerWaalsContact O-N 3.08Å; E628-L680 HydrophobicContact CG-CB 3.9Å; E628-L680 HydrophobicContact CG-CD2 4.15Å; E628-L680 WeakPolarHBondContact OE1-CB 3.37Å; E628-L680 WeakPolarHBondContact OE2-CB 3.5Å; E628-L680 PolarHBondContact OE2-N 2.92Å; E628-L681 HydrophobicContact CB-CD1 4.4Å; E628-L681 HydrophobicContact CB-CG 4.49Å; E628-L681 PolarHBondContact OE2-N 2.94Å
629I77.6Confident82.4Confident5 Ų533 Ų333%0.02617%0.171CC..Hα-helixtrans-67.5-46.7174.8-70.7166.4000110.9I422 A425 L625 Y626 A632 A633 L703 L706I422-I629 HydrophobicContact CD1-CD1 4.07Å; I422-I629 HydrophobicContact CG1-CD1 4.23Å; A425-I629 HydrophobicContact CB-CG2 4.47Å; L625-I629 HydrophobicContact CD1-CD1 3.82Å; L625-I629 HydrophobicContact CD1-CG1 4.44Å; L625-I629 HydrophobicContact CG-CD1 4.01Å; L625-I629 WeakPolarHBondContact O-CG1 3.34Å; L625-I629 PolarHBondContact O-N 3.06Å; L625-I629 VanDerWaalsContact O-N 3.13Å; Y626-I629 HydrophobicContact CD1-CD1 4.46Å; Y626-I629 PolarHBondContact O-N 3.35Å; I629-A632 WeakPolarHBondContact O-CB 3.31Å; I629-A632 PolarHBondContact O-N 2.91Å; I629-A633 PolarHBondContact O-N 3.36Å; I629-L703 HydrophobicContact CG1-CD1 4.23Å; I629-L706 HydrophobicContact CG1-CD2 4.34Å; I629-L706 HydrophobicContact CG2-CD2 4.21Å
630D78.3Confident82.5Confident60 Ų6036.2 Ų36.232%0.32119%0.186SC..Hα-helixtrans-66.6-41.8179.8-163.986.1000111.2S442 L446 Y626 A632 A633 S634S442-D630 PolarHBondContact OG-OD1 3.24Å; L446-D630 HydrophobicContact CD1-CB 4.02Å; Y626-D630 WeakPolarHBondContact O-CB 3.2Å; Y626-D630 PolarHBondContact O-N 3.48Å; D630-A632 VanDerWaalsContact C-N 3.29Å; D630-A632 PolarHBondContact O-N 3.21Å; D630-A633 PolarHBondContact O-N 3.42Å; D630-S634 WeakPolarHBondContact O-CB 3.3Å; D630-S634 PolarHBondContact O-N 3.07Å
631N83Confident82.4Confident54 Ų5439 Ų3929%0.28920%0.197SC..Hα-helixtrans-56.6-40.3170.2-82.1-33.3000112.7T627 W635 L678T627-N631 VanDerWaalsContact O-CB 3.26Å; T627-N631 WeakPolarHBondContact O-CB 3.33Å; T627-N631 VanDerWaalsContact O-CG 3.25Å; T627-N631 PolarHBondContact O-N 3.04Å; T627-N631 PolarHBondContact O-ND2 3.04Å; T627-N631 VanDerWaalsContact O-ND2 3.15Å; N631-W635 VanDerWaalsContact O-CB 3.31Å; N631-W635 WeakPolarHBondContact O-CB 3.35Å; N631-W635 PolarHBondContact O-N 2.96Å; N631-L678 HydrophobicContact CB-CD2 4.17Å
632A82.1Confident82.5Confident0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-70.1-45177.500000112.5E628 I629 D630 W635 I636 L678 L681 L706 V710E628-A632 WeakPolarHBondContact O-CB 3.31Å; E628-A632 PolarHBondContact O-N 3.12Å; E628-A632 VanDerWaalsContact O-N 3.08Å; I629-A632 WeakPolarHBondContact O-CB 3.31Å; I629-A632 PolarHBondContact O-N 2.91Å; D630-A632 VanDerWaalsContact C-N 3.29Å; D630-A632 PolarHBondContact O-N 3.21Å; A632-W635 PolarHBondContact O-N 3.01Å; A632-I636 VanDerWaalsContact O-CG1 3.27Å; A632-I636 WeakPolarHBondContact O-CG1 3.21Å; A632-I636 PolarHBondContact O-N 3.33Å; A632-L678 HydrophobicContact CB-CD2 3.9Å; A632-L681 HydrophobicContact CB-CD1 3.76Å; A632-L706 HydrophobicContact CB-CD1 4.49Å; A632-L706 HydrophobicContact CB-CD2 3.89Å; A632-L706 HydrophobicContact CB-CG 4.15Å; A632-V710 HydrophobicContact CB-CG2 4.43Å
633A80.4Confident82.7Confident23 Ų2338.8 Ų38.819%0.1920%0.199CC..Hα-helixtrans-62.2-44.6176.100000111.6A425 I629 D630 W635 I636 K637A425-A633 HydrophobicContact CB-CB 3.96Å; I629-A633 PolarHBondContact O-N 3.36Å; D630-A633 PolarHBondContact O-N 3.42Å; A633-W635 PolarHBondContact O-N 3.22Å; A633-I636 PolarHBondContact O-N 3.47Å; A633-K637 PolarHBondContact O-N 3.33Å
634S81.9Confident82.8Confident53 Ų5344.2 Ų44.237%0.37122%0.222SC..Hα-helixtrans-56.2-48.1172.8175.40000112D630 I636 K637 E638 R677D630-S634 WeakPolarHBondContact O-CB 3.3Å; D630-S634 PolarHBondContact O-N 3.07Å; S634-I636 PolarHBondContact O-N 3.44Å; S634-K637 PolarHBondContact O-N 2.89Å; S634-E638 WeakPolarHBondContact O-CB 3.49Å; S634-E638 PolarHBondContact O-N 3.42Å; S634-E638 VanDerWaalsContact O-N 3.13Å; S634-R677 PolarHBondContact OG-NH2 2.7Å
635W87.1Confident82.7Confident0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-64.4-38.5177.6-170.283.7000112.2N631 A632 A633 G639 F670 S673 R674 L678 V710 L713 A714N631-W635 VanDerWaalsContact O-CB 3.31Å; N631-W635 WeakPolarHBondContact O-CB 3.35Å; N631-W635 PolarHBondContact O-N 2.96Å; A632-W635 PolarHBondContact O-N 3.01Å; A633-W635 PolarHBondContact O-N 3.22Å; W635-G639 PolarHBondContact O-N 3.05Å; W635-F670 AromaticContact CD1-CE2 3.69Å; W635-F670 AromaticContact CD1-CZ 3.95Å; W635-F670 HydrophobicContact CD2-CE2 4.18Å; W635-F670 AromaticContact CD2-CZ 3.65Å; W635-F670 HydrophobicContact CD2-CZ 3.65Å; W635-F670 AromaticContact CE2-CE1 3.8Å; W635-F670 AromaticContact CE2-CE2 3.79Å; W635-F670 AromaticContact CE2-CZ 3.25Å; W635-F670 HydrophobicContact CE3-CZ 4.18Å; W635-F670 HydrophobicContact CG-CE2 4.12Å; W635-F670 HydrophobicContact CG-CZ 4.08Å; W635-F670 AromaticContact CH2-CE1 3.95Å; W635-F670 HydrophobicContact CH2-CE1 3.95Å; W635-F670 HydrophobicContact CH2-CZ 4.02Å; W635-F670 HydrophobicContact CZ2-CD1 4.36Å; W635-F670 AromaticContact CZ2-CE1 3.48Å; W635-F670 HydrophobicContact CZ2-CE1 3.48Å; W635-F670 VanDerWaalsContact CZ2-CE1 3.48Å; W635-F670 HydrophobicContact CZ2-CE2 4.34Å; W635-F670 AromaticContact CZ2-CZ 3.46Å; W635-F670 HydrophobicContact CZ2-CZ 3.46Å; W635-F670 VanDerWaalsContact CZ2-CZ 3.46Å; W635-F670 HydrophobicContact CZ3-CZ 4.35Å; W635-F670 AromaticContact NE1-CE2 3.47Å; W635-F670 AromaticContact NE1-CZ 3.47Å; W635-F670 WeakPolarHBondContact O-CE2 3.34Å; W635-F670 VanDerWaalsContact O-CZ 3.26Å; W635-F670 WeakPolarHBondContact O-CZ 3.44Å; W635-S673 PolarHBondContact NE1-OG 2.97Å; W635-R674 HydrophobicContact CH2-CG 4.48Å; W635-R674 HydrophobicContact CZ2-CB 3.77Å; W635-R674 HydrophobicContact CZ2-CG 4.07Å; W635-L678 HydrophobicContact CB-CD1 4.29Å; W635-L678 HydrophobicContact CD2-CD1 3.97Å; W635-L678 HydrophobicContact CE3-CD1 4.12Å; W635-L678 HydrophobicContact CG-CD1 4.04Å; W635-V710 HydrophobicContact CE3-CG1 4.11Å; W635-V710 HydrophobicContact CE3-CG2 4.45Å; W635-V710 HydrophobicContact CZ3-CB 4.39Å; W635-V710 HydrophobicContact CZ3-CG1 3.83Å; W635-V710 WeakPolarHBondContact CZ3-O 3.3Å; W635-L713 HydrophobicContact CE3-CD2 4.23Å; W635-L713 HydrophobicContact CZ3-CB 4.39Å; W635-L713 HydrophobicContact CZ3-CD2 3.87Å; W635-L713 HydrophobicContact CZ3-CG 4.25Å; W635-A714 HydrophobicContact CH2-CB 4.12Å
636I85Confident82.6Confident18 Ų1843.3 Ų43.39%0.09222%0.22CC..Hα-helixtrans-63-52.7175.3-70.9163.6000110.9A632 A633 S634 E638 G639 H640 L706 Q709 V710 L713A632-I636 VanDerWaalsContact O-CG1 3.27Å; A632-I636 WeakPolarHBondContact O-CG1 3.21Å; A632-I636 PolarHBondContact O-N 3.33Å; A633-I636 PolarHBondContact O-N 3.47Å; S634-I636 PolarHBondContact O-N 3.44Å; I636-E638 VanDerWaalsContact C-N 3.31Å; I636-E638 PolarHBondContact O-N 3.4Å; I636-G639 PolarHBondContact O-N 3.4Å; I636-G639 VanDerWaalsContact O-N 3.17Å; I636-H640 PolarHBondContact O-CD2 2.73Å; I636-H640 PolarHBondContact O-N 3.42Å; I636-L706 HydrophobicContact CD1-CD1 3.64Å; I636-L706 HydrophobicContact CD1-CG 4.46Å; I636-Q709 HydrophobicContact CD1-CB 3.83Å; I636-V710 HydrophobicContact CD1-CG2 3.89Å; I636-V710 HydrophobicContact CG1-CG2 4.06Å; I636-L713 HydrophobicContact CB-CD2 4.34Å; I636-L713 HydrophobicContact CG1-CD2 4.36Å; I636-L713 HydrophobicContact CG2-CD2 4.39Å
637K84.1Confident82.4Confident94 Ų9446.2 Ų46.241%0.40924%0.239SC..Hα-helixtrans-60.2-40.6-177.5-169.5159.6-173.9160.80111.9D435 A633 S634 H641D435-K637 IonicContact OD1-NZ 3.57Å; D435-K637 PolarHBondContact OD1-NZ 3.33Å; D435-K637 IonicContact OD2-NZ 3.78Å; A633-K637 PolarHBondContact O-N 3.33Å; S634-K637 PolarHBondContact O-N 2.89Å; K637-H641 WeakPolarHBondContact O-CB 3.44Å; K637-H641 PolarHBondContact O-N 3.23Å; K637-H641 VanDerWaalsContact O-N 3.07Å
638E86Confident82Confident78 Ų7846.9 Ų46.936%0.36424%0.244SC..Hα-helixtrans-64.4-45175.1-172.7-178.4144.100112.6S634 I636 H641 L642 F670 R677S634-E638 WeakPolarHBondContact O-CB 3.49Å; S634-E638 PolarHBondContact O-N 3.42Å; S634-E638 VanDerWaalsContact O-N 3.13Å; I636-E638 VanDerWaalsContact C-N 3.31Å; I636-E638 PolarHBondContact O-N 3.4Å; E638-H641 PolarHBondContact O-N 2.97Å; E638-L642 WeakPolarHBondContact O-CG 3.23Å; E638-L642 PolarHBondContact O-N 3.31Å; E638-F670 HydrophobicContact CB-CE2 4.04Å; E638-F670 HydrophobicContact CG-CD2 4.03Å; E638-F670 HydrophobicContact CG-CE2 3.99Å; E638-F670 WeakPolarHBondContact OE1-CD2 3.35Å; E638-R677 VanDerWaalsContact CD-NH1 3.32Å; E638-R677 IonicContact OE1-NH1 3.49Å; E638-R677 PolarHBondContact OE1-NH1 3.04Å; E638-R677 IonicContact OE2-CZ 2.67Å; E638-R677 VanDerWaalsContact OE2-CZ 3.28Å; E638-R677 IonicContact OE2-NH1 3.89Å; E638-R677 PolarHBondContact OE2-NH1 3.44Å; E638-R677 IonicContact OE2-NH2 2.9Å; E638-R677 PolarHBondContact OE2-NH2 3.06Å
639G87Confident81.4Confident0 Ų049.6 Ų49.60%026%0.264CS..Hα-helixtrans-67.8-38.4179.100000113.5W635 I636 L642 L643 F670W635-G639 PolarHBondContact O-N 3.05Å; I636-G639 PolarHBondContact O-N 3.4Å; I636-G639 VanDerWaalsContact O-N 3.17Å; G639-L642 PolarHBondContact O-N 3.08Å; G639-L643 WeakPolarHBondContact O-CB 3.07Å; G639-L643 PolarHBondContact O-N 3.11Å; G639-F670 VanDerWaalsContact CA-CE1 3.46Å
640H87.3Confident81.1Confident67 Ų6755.3 Ų55.331%0.3129%0.294SS..Hα-helixtrans-62.8-44172.8-86.9-108.8000111.4I636 L642 L643 K644I636-H640 PolarHBondContact O-CD2 2.73Å; I636-H640 PolarHBondContact O-N 3.42Å; H640-L642 PolarHBondContact O-N 2.69Å; H640-L643 PolarHBondContact O-N 3.08Å; H640-K644 WeakPolarHBondContact O-CB 3.45Å; H640-K644 PolarHBondContact O-N 3.18Å
641H85.9Confident80.7Confident130 Ų13056.6 Ų56.660%0.60230%0.297SS*.Hα-helixtrans-58.6-46.5175.1179.2-95.6000112.1K637 E638 K644K637-H641 WeakPolarHBondContact O-CB 3.44Å; K637-H641 PolarHBondContact O-N 3.23Å; K637-H641 VanDerWaalsContact O-N 3.07Å; E638-H641 PolarHBondContact O-N 2.97Å; H641-K644 WeakPolarHBondContact O-CB 3.35Å; H641-K644 PolarHBondContact O-N 3.36Å
642L85.6Confident80.3Confident28 Ų2854.3 Ų54.315%0.14729%0.285CS..Hα-helixtrans-62.2-44.6175.7-71.3170.3000112.2E638 G639 H640 K644 T645 E666 L667 F670E638-L642 WeakPolarHBondContact O-CG 3.23Å; E638-L642 PolarHBondContact O-N 3.31Å; G639-L642 PolarHBondContact O-N 3.08Å; H640-L642 PolarHBondContact O-N 2.69Å; L642-K644 VanDerWaalsContact C-N 3.31Å; L642-K644 PolarHBondContact O-N 2.95Å; L642-T645 WeakPolarHBondContact O-CB 3.13Å; L642-T645 PolarHBondContact O-N 2.95Å; L642-T645 VanDerWaalsContact O-N 3.11Å; L642-T645 PolarHBondContact O-OG1 2.69Å; L642-E666 HydrophobicContact CD2-CB 4.49Å; L642-L667 HydrophobicContact CB-CD2 4.03Å; L642-F670 HydrophobicContact CD1-CB 3.44Å; L642-F670 VanDerWaalsContact CD1-CB 3.44Å; L642-F670 HydrophobicContact CD1-CD1 4.14Å; L642-F670 HydrophobicContact CD1-CD2 3.76Å; L642-F670 HydrophobicContact CD1-CG 3.48Å; L642-F670 VanDerWaalsContact CD1-CG 3.48Å
643L85.7Confident79.7Confident25 Ų2559.2 Ų59.213%0.13132%0.315CS..Hα-helixtrans-62.9-37.4179.4-165.373.6000112G639 H640 T645 V646 T647 L713 N716 A720G639-L643 WeakPolarHBondContact O-CB 3.07Å; G639-L643 PolarHBondContact O-N 3.11Å; H640-L643 PolarHBondContact O-N 3.08Å; L643-T645 PolarHBondContact O-N 3.34Å; L643-T645 VanDerWaalsContact O-N 3.08Å; L643-V646 PolarHBondContact O-N 2.8Å; L643-T647 PolarHBondContact O-N 3.43Å; L643-T647 PolarHBondContact O-OG1 2.8Å; L643-L713 HydrophobicContact CD2-CD1 4.42Å; L643-N716 HydrophobicContact CD1-CB 4.26Å; L643-N716 HydrophobicContact CD2-CB 3.77Å; L643-A720 HydrophobicContact CD1-CB 3.82Å
644K83.9Confident79.5Confident145 Ų14562.3 Ų62.363%0.6334%0.34SS*.Hα-helixtrans-59.1-18.1175.4-161.6168.4-174.6169.50112.7H640 H641 L642 K651H640-K644 WeakPolarHBondContact O-CB 3.45Å; H640-K644 PolarHBondContact O-N 3.18Å; H641-K644 WeakPolarHBondContact O-CB 3.35Å; H641-K644 PolarHBondContact O-N 3.36Å; L642-K644 VanDerWaalsContact C-N 3.31Å; L642-K644 PolarHBondContact O-N 2.95Å; K644-K651 PolarHBondContact O-NZ 2.89Å
645T80.8Confident79.4Confident38 Ų3860.6 Ų60.623%0.23333%0.327CS..Hα-helixtrans-79.6-31174.672.50000113.9L642 L643 K651 M655 R663L642-T645 WeakPolarHBondContact O-CB 3.13Å; L642-T645 PolarHBondContact O-N 2.95Å; L642-T645 VanDerWaalsContact O-N 3.11Å; L642-T645 PolarHBondContact O-OG1 2.69Å; L643-T645 PolarHBondContact O-N 3.34Å; L643-T645 VanDerWaalsContact O-N 3.08Å; T645-K651 WeakPolarHBondContact O-CD 3.43Å; T645-M655 VanDerWaalsContact O-CE 3.24Å; T645-M655 WeakPolarHBondContact O-CE 3.47Å; T645-R663 WeakPolarHBondContact OG1-CD 3.38Å
646V76.4Confident79Confident5 Ų564.9 Ų64.93%0.0335%0.35CS..Hα-helixtrans-101.1-27-173.4-174.50000112.1L643 R663 L667 A720 I724L643-V646 PolarHBondContact O-N 2.8Å; V646-R663 HydrophobicContact CG2-CB 4.15Å; V646-L667 HydrophobicContact CG2-CD1 4.03Å; V646-A720 HydrophobicContact CG1-CB 4.44Å; V646-I724 HydrophobicContact CG1-CD1 3.91Å; V646-I724 HydrophobicContact CG1-CG1 3.78Å; V646-I724 HydrophobicContact CG2-CD1 4.12Å
647T73.8Confident78.9Confident67 Ų6767.5 Ų67.541%0.41136%0.363SS..  trans-104.2143-175.6-46.10000110.8L643L643-T647 PolarHBondContact O-N 3.43Å; L643-T647 PolarHBondContact O-OG1 2.8Å
648P72.9Confident78.8Confident71 Ų7168.3 Ų68.346%0.46138%0.376SS..SBendcis-69.9163.9-731.3-37000113.2N650 K651P648-N650 PolarHBondContact O-N 2.65Å; P648-K651 WeakPolarHBondContact O-CB 3.23Å; P648-K651 PolarHBondContact O-N 3.07Å
649P65.8Low78.7Confident81 Ų8167.7 Ų67.753%0.52637%0.373SS..Hα-helixtrans-57.9-15-17421.8-34.8000115.7K651 L652 T653P649-K651 PolarHBondContact O-N 3.06Å; P649-L652 WeakPolarHBondContact O-CB 3.31Å; P649-L652 PolarHBondContact O-N 3.37Å; P649-T653 PolarHBondContact O-N 3Å; P649-T653 PolarHBondContact O-OG1 3.22Å
650N69.8Low78.5Confident124 Ų12467.7 Ų67.766%0.66337%0.373SS*.Hα-helixtrans-57.8-32.1170.5-59.57.2000112P648 T653 A654P648-N650 PolarHBondContact O-N 2.65Å; N650-T653 WeakPolarHBondContact CA-OG1 3.25Å; N650-T653 PolarHBondContact O-OG1 3.22Å; N650-A654 PolarHBondContact O-N 3.28Å
651K70.3Confident78.5Confident88 Ų8871.6 Ų71.638%0.38339%0.385SS..Hα-helixtrans-66.3-47.9171.6-64.6-172.1-176.7179.70110.8K644 T645 P648 P649 T653 A654 M655K644-K651 PolarHBondContact O-NZ 2.89Å; T645-K651 WeakPolarHBondContact O-CD 3.43Å; P648-K651 WeakPolarHBondContact O-CB 3.23Å; P648-K651 PolarHBondContact O-N 3.07Å; P649-K651 PolarHBondContact O-N 3.06Å; K651-T653 VanDerWaalsContact C-N 3.27Å; K651-T653 PolarHBondContact O-N 3.43Å; K651-A654 WeakPolarHBondContact O-CA 3.48Å; K651-A654 WeakPolarHBondContact O-CB 3.22Å; K651-A654 PolarHBondContact O-N 3.1Å; K651-M655 WeakPolarHBondContact O-CG 3.45Å; K651-M655 PolarHBondContact O-N 3.01Å; K651-M655 VanDerWaalsContact O-N 3.1Å
652L73.8Confident78.5Confident6 Ų668 Ų683%0.03138%0.375CS..Hα-helixtrans-58-37.3179-178.158.6000112.6P649 A654 M655 S723 I724 H727P649-L652 WeakPolarHBondContact O-CB 3.31Å; P649-L652 PolarHBondContact O-N 3.37Å; L652-A654 VanDerWaalsContact C-N 3.28Å; L652-A654 PolarHBondContact O-N 2.91Å; L652-M655 HydrophobicContact CD1-SD 4.36Å; L652-M655 PolarHBondContact O-N 3.23Å; L652-S723 WeakPolarHBondContact CD2-OG 3.44Å; L652-I724 HydrophobicContact CD1-CB 4.32Å; L652-I724 HydrophobicContact CD1-CG1 3.93Å; L652-I724 HydrophobicContact CD1-CG2 4.31Å; L652-H727 HydrophobicContact CD1-CB 4.05Å; L652-H727 HydrophobicContact CD2-CB 3.91Å; L652-H727 HydrophobicContact CG-CB 3.92Å; L652-H727 PolarHBondContact O-CE1 2.9Å; L652-H727 PolarHBondContact O-ND1 2.95Å
653T70.4Confident78.6Confident102 Ų10269.4 Ų69.463%0.62638%0.378SS*.THydrogen-bonded Turntrans-71.8-15.1174.246.40000115P649 N650 K651P649-T653 PolarHBondContact O-N 3Å; P649-T653 PolarHBondContact O-OG1 3.22Å; N650-T653 WeakPolarHBondContact CA-OG1 3.25Å; N650-T653 PolarHBondContact O-OG1 3.22Å; K651-T653 VanDerWaalsContact C-N 3.27Å; K651-T653 PolarHBondContact O-N 3.43Å
654A77.1Confident78.7Confident88 Ų8869.1 Ų69.173%0.72738%0.377SS*.THydrogen-bonded Turntrans-92.7-20.8173.100000112.8N650 K651 L652N650-A654 PolarHBondContact O-N 3.28Å; K651-A654 WeakPolarHBondContact O-CA 3.48Å; K651-A654 WeakPolarHBondContact O-CB 3.22Å; K651-A654 PolarHBondContact O-N 3.1Å; L652-A654 VanDerWaalsContact C-N 3.28Å; L652-A654 PolarHBondContact O-N 2.91Å
655M78.7Confident78.9Confident17 Ų1766.6 Ų66.68%0.08437%0.37CS..SBendtrans-68.7136.3178.7-70-178.9172.800112.1T645 K651 L652 E659 R663T645-M655 VanDerWaalsContact O-CE 3.24Å; T645-M655 WeakPolarHBondContact O-CE 3.47Å; K651-M655 WeakPolarHBondContact O-CG 3.45Å; K651-M655 PolarHBondContact O-N 3.01Å; K651-M655 VanDerWaalsContact O-N 3.1Å; L652-M655 HydrophobicContact CD1-SD 4.36Å; L652-M655 PolarHBondContact O-N 3.23Å; M655-E659 HydrophobicContact CB-CB 4.33Å; M655-E659 HydrophobicContact CB-CG 4.3Å; M655-E659 HydrophobicContact CE-CG 4.44Å; M655-E659 HydrophobicContact CG-CG 3.97Å; M655-E659 HydrophobicContact SD-CG 4.16Å; M655-R663 HydrophobicContact CE-CG 4.03Å; M655-R663 HydrophobicContact SD-CG 4.23Å
656N79.4Confident79.4Confident90 Ų9067.6 Ų67.648%0.48137%0.372SS..  trans-76.7169.217070.671.5000111.5V658 E659 C660N656-V658 VanDerWaalsContact C-N 3.26Å; N656-V658 PolarHBondContact O-N 3.05Å; N656-V658 WeakPolarHBondContact OD1-CA 3.35Å; N656-V658 WeakPolarHBondContact OD1-CB 3.24Å; N656-V658 PolarHBondContact OD1-N 3.35Å; N656-E659 PolarHBondContact O-N 3.41Å; N656-E659 PolarHBondContact OD1-N 2.89Å; N656-C660 WeakPolarHBondContact O-CB 3.23Å; N656-C660 PolarHBondContact O-N 3.12Å; N656-C660 PolarHBondContact O-SG 2.91Å
657L81.4Confident80Confident73 Ų7367.4 Ų67.438%0.38237%0.371SS..Hα-helixtrans-63.4-23.5-177.4-82.3173.2000115R661 I728 T731L657-R661 WeakPolarHBondContact O-CG 3.32Å; L657-R661 PolarHBondContact O-N 3.21Å; L657-I728 HydrophobicContact CD2-CB 4.3Å; L657-I728 HydrophobicContact CD2-CG1 4.13Å; L657-I728 HydrophobicContact CD2-CG2 4.12Å; L657-T731 WeakPolarHBondContact CD2-OG1 3.43Å
658V83.7Confident80.6Confident112 Ų11267.1 Ų67.168%0.67937%0.366SS*.Hα-helixtrans-80.5-45176.2-175.70000109.9N656 C660 R661 S662N656-V658 VanDerWaalsContact C-N 3.26Å; N656-V658 PolarHBondContact O-N 3.05Å; N656-V658 WeakPolarHBondContact OD1-CA 3.35Å; N656-V658 WeakPolarHBondContact OD1-CB 3.24Å; N656-V658 PolarHBondContact OD1-N 3.35Å; V658-C660 VanDerWaalsContact C-N 3.34Å; V658-C660 PolarHBondContact O-N 3.01Å; V658-R661 WeakPolarHBondContact O-CB 3.38Å; V658-R661 PolarHBondContact O-N 3.28Å; V658-S662 PolarHBondContact O-N 2.72Å
659E82.8Confident81.4Confident65 Ų6568.5 Ų68.530%0.30437%0.373SS..Hα-helixtrans-63-40.1175.8-173.5173.7-163.700112M655 N656 R661 S662 R663M655-E659 HydrophobicContact CB-CB 4.33Å; M655-E659 HydrophobicContact CB-CG 4.3Å; M655-E659 HydrophobicContact CE-CG 4.44Å; M655-E659 HydrophobicContact CG-CG 3.97Å; M655-E659 HydrophobicContact SD-CG 4.16Å; N656-E659 PolarHBondContact O-N 3.41Å; N656-E659 PolarHBondContact OD1-N 2.89Å; E659-R661 PolarHBondContact O-N 3.33Å; E659-S662 PolarHBondContact O-N 2.96Å; E659-R663 HydrophobicContact CG-CG 4.33Å; E659-R663 WeakPolarHBondContact O-CB 3.45Å; E659-R663 WeakPolarHBondContact O-CG 3.32Å; E659-R663 PolarHBondContact O-N 2.84Å; E659-R663 IonicContact OE1-CZ 2.68Å; E659-R663 IonicContact OE1-NH1 3.21Å; E659-R663 PolarHBondContact OE1-NH1 3.04Å
660C83.9Confident82.7Confident0 Ų064.9 Ų64.90%035%0.35CS..Hα-helixtrans-56.5-37.8170.9-70.50000112.2N656 V658 M664 I724 I728N656-C660 WeakPolarHBondContact O-CB 3.23Å; N656-C660 PolarHBondContact O-N 3.12Å; N656-C660 PolarHBondContact O-SG 2.91Å; V658-C660 VanDerWaalsContact C-N 3.34Å; V658-C660 PolarHBondContact O-N 3.01Å; C660-M664 WeakPolarHBondContact O-CB 3.44Å; C660-M664 PolarHBondContact O-N 2.87Å; C660-I724 HydrophobicContact CB-CG2 3.86Å; C660-I724 WeakPolarHBondContact O-CG2 3.35Å; C660-I728 HydrophobicContact CB-CD1 3.89Å; C660-I728 HydrophobicContact CB-CG1 3.75Å
661R85.7Confident83.5Confident148 Ų14860.4 Ų60.456%0.55833%0.326SS*.Hα-helixtrans-71.5-50.7177.8-73.2171.5179.8-82.72.3111.1L657 V658 E659 R663 M664 D665 I728L657-R661 WeakPolarHBondContact O-CG 3.32Å; L657-R661 PolarHBondContact O-N 3.21Å; V658-R661 WeakPolarHBondContact O-CB 3.38Å; V658-R661 PolarHBondContact O-N 3.28Å; E659-R661 PolarHBondContact O-N 3.33Å; R661-R663 VanDerWaalsContact C-N 3.32Å; R661-R663 PolarHBondContact O-N 2.96Å; R661-M664 WeakPolarHBondContact O-CA 3.35Å; R661-M664 WeakPolarHBondContact O-CB 3.46Å; R661-M664 PolarHBondContact O-N 2.96Å; R661-D665 PolarHBondContact O-N 3.42Å; R661-I728 HydrophobicContact CG-CD1 4.04Å
662S87.8Confident84.2Confident56 Ų5659.8 Ų59.839%0.39233%0.334SS..Hα-helixtrans-49.6-52.4175.8-164.50000111.6V658 E659 M664 D665 E666V658-S662 PolarHBondContact O-N 2.72Å; E659-S662 PolarHBondContact O-N 2.96Å; S662-M664 VanDerWaalsContact C-N 3.29Å; S662-M664 PolarHBondContact O-N 3.27Å; S662-D665 PolarHBondContact O-N 3.04Å; S662-D665 VanDerWaalsContact O-N 3.13Å; S662-E666 WeakPolarHBondContact CB-OE1 3.43Å; S662-E666 WeakPolarHBondContact O-CB 3.25Å; S662-E666 WeakPolarHBondContact O-CG 3.45Å; S662-E666 PolarHBondContact O-N 3Å; S662-E666 PolarHBondContact OG-OE1 3.44Å
663R85.8Confident84.9Confident56 Ų5660.7 Ų60.721%0.21134%0.34CS..Hα-helixtrans-66.3-27.6-179.3-65.3-74.9143.963.36.9113.6T645 V646 M655 E659 R661 E666 L667 I724T645-R663 WeakPolarHBondContact OG1-CD 3.38Å; V646-R663 HydrophobicContact CG2-CB 4.15Å; M655-R663 HydrophobicContact CE-CG 4.03Å; M655-R663 HydrophobicContact SD-CG 4.23Å; E659-R663 HydrophobicContact CG-CG 4.33Å; E659-R663 WeakPolarHBondContact O-CB 3.45Å; E659-R663 WeakPolarHBondContact O-CG 3.32Å; E659-R663 PolarHBondContact O-N 2.84Å; E659-R663 IonicContact OE1-CZ 2.68Å; E659-R663 IonicContact OE1-NH1 3.21Å; E659-R663 PolarHBondContact OE1-NH1 3.04Å; R661-R663 VanDerWaalsContact C-N 3.32Å; R661-R663 PolarHBondContact O-N 2.96Å; R663-E666 VanDerWaalsContact CD-OE2 3.24Å; R663-E666 WeakPolarHBondContact CD-OE2 3.48Å; R663-E666 PolarHBondContact N-OE1 3.18Å; R663-E666 IonicContact NE-OE1 2.76Å; R663-E666 PolarHBondContact NE-OE1 2.66Å; R663-E666 IonicContact NE-OE2 2.72Å; R663-E666 PolarHBondContact NE-OE2 3.46Å; R663-L667 WeakPolarHBondContact O-CB 3.4Å; R663-L667 WeakPolarHBondContact O-CG 3.21Å; R663-L667 PolarHBondContact O-N 2.84Å; R663-I724 HydrophobicContact CB-CD1 4.38Å
664M88Confident85.5Confident19 Ų1959.3 Ų59.39%0.09432%0.324CS..Hα-helixtrans-72.3-45171.8-171.9-177.7-55.700111.2C660 R661 S662 L667 I668 I721 I724 R725 I728C660-M664 WeakPolarHBondContact O-CB 3.44Å; C660-M664 PolarHBondContact O-N 2.87Å; R661-M664 WeakPolarHBondContact O-CA 3.35Å; R661-M664 WeakPolarHBondContact O-CB 3.46Å; R661-M664 PolarHBondContact O-N 2.96Å; S662-M664 VanDerWaalsContact C-N 3.29Å; S662-M664 PolarHBondContact O-N 3.27Å; M664-L667 PolarHBondContact O-N 3.13Å; M664-I668 HydrophobicContact CG-CD1 3.7Å; M664-I668 HydrophobicContact CG-CG1 4.31Å; M664-I668 WeakPolarHBondContact O-CB 3.08Å; M664-I668 VanDerWaalsContact O-CG1 3.25Å; M664-I668 WeakPolarHBondContact O-CG1 3.32Å; M664-I668 PolarHBondContact O-N 2.99Å; M664-I668 HydrophobicContact SD-CD1 4.18Å; M664-I721 HydrophobicContact CG-CG2 4.16Å; M664-I724 HydrophobicContact CB-CD1 4.41Å; M664-I724 HydrophobicContact CB-CG2 4.23Å; M664-I724 HydrophobicContact CE-CB 3.94Å; M664-I724 HydrophobicContact CE-CG2 3.68Å; M664-R725 VanDerWaalsContact CE-CA 3.49Å; M664-R725 HydrophobicContact CE-CB 3.69Å; M664-R725 HydrophobicContact CE-CG 4.41Å; M664-I728 HydrophobicContact CE-CD1 3.77Å
665D88.8Confident85.4Confident93 Ų9359.4 Ų59.450%0.49731%0.309SS..Hα-helixtrans-69.5-37.4-178.1-62.5-32.4000111R661 S662 I668 T669R661-D665 PolarHBondContact O-N 3.42Å; S662-D665 PolarHBondContact O-N 3.04Å; S662-D665 VanDerWaalsContact O-N 3.13Å; D665-I668 PolarHBondContact O-N 3.2Å; D665-T669 VanDerWaalsContact O-CB 3.32Å; D665-T669 WeakPolarHBondContact O-CB 3.37Å; D665-T669 PolarHBondContact O-N 3.39Å; D665-T669 PolarHBondContact O-OG1 2.63Å
666E90.2Very high85.3Confident58 Ų5862.9 Ų62.927%0.27134%0.335SS..Hα-helixtrans-54-55.6167.2-73158.8-128.700110.9L642 S662 R663 I668 T669 F670L642-E666 HydrophobicContact CD2-CB 4.49Å; S662-E666 WeakPolarHBondContact CB-OE1 3.43Å; S662-E666 WeakPolarHBondContact O-CB 3.25Å; S662-E666 WeakPolarHBondContact O-CG 3.45Å; S662-E666 PolarHBondContact O-N 3Å; S662-E666 PolarHBondContact OG-OE1 3.44Å; R663-E666 VanDerWaalsContact CD-OE2 3.24Å; R663-E666 WeakPolarHBondContact CD-OE2 3.48Å; R663-E666 PolarHBondContact N-OE1 3.18Å; R663-E666 IonicContact NE-OE1 2.76Å; R663-E666 PolarHBondContact NE-OE1 2.66Å; R663-E666 IonicContact NE-OE2 2.72Å; R663-E666 PolarHBondContact NE-OE2 3.46Å; E666-I668 PolarHBondContact O-N 2.83Å; E666-T669 PolarHBondContact O-N 3.09Å; E666-F670 WeakPolarHBondContact O-CB 3.27Å; E666-F670 PolarHBondContact O-N 3.18Å
667L89.2Confident85.2Confident2 Ų261.4 Ų61.41%0.0132%0.323CS..Hα-helixtrans-66.3-36.4-179.8-77.5171.1000113.5L642 V646 R663 M664 T671 C717 A720 I721 I724L642-L667 HydrophobicContact CB-CD2 4.03Å; V646-L667 HydrophobicContact CG2-CD1 4.03Å; R663-L667 WeakPolarHBondContact O-CB 3.4Å; R663-L667 WeakPolarHBondContact O-CG 3.21Å; R663-L667 PolarHBondContact O-N 2.84Å; M664-L667 PolarHBondContact O-N 3.13Å; L667-T671 VanDerWaalsContact O-CB 3.25Å; L667-T671 WeakPolarHBondContact O-CB 3.11Å; L667-T671 PolarHBondContact O-N 3.5Å; L667-T671 PolarHBondContact O-OG1 3.48Å; L667-C717 HydrophobicContact CD2-CB 4.36Å; L667-A720 HydrophobicContact CD1-CB 3.77Å; L667-I721 HydrophobicContact CB-CD1 3.98Å; L667-I721 HydrophobicContact CB-CG1 3.66Å; L667-I721 HydrophobicContact CD1-CG1 4.3Å; L667-I724 HydrophobicContact CD1-CD1 3.89Å
668I87.9Confident85.1Confident60 Ų6058.1 Ų58.131%0.30831%0.306SS..Hα-helixtrans-65.4-43175.7-74.3170.5000110.2M664 D665 E666 T671 S672 I721M664-I668 HydrophobicContact CG-CD1 3.7Å; M664-I668 HydrophobicContact CG-CG1 4.31Å; M664-I668 WeakPolarHBondContact O-CB 3.08Å; M664-I668 VanDerWaalsContact O-CG1 3.25Å; M664-I668 WeakPolarHBondContact O-CG1 3.32Å; M664-I668 PolarHBondContact O-N 2.99Å; M664-I668 HydrophobicContact SD-CD1 4.18Å; D665-I668 PolarHBondContact O-N 3.2Å; E666-I668 PolarHBondContact O-N 2.83Å; I668-T671 PolarHBondContact O-N 3.42Å; I668-S672 WeakPolarHBondContact O-CB 3.18Å; I668-S672 PolarHBondContact O-N 3.39Å; I668-S672 PolarHBondContact O-OG 2.89Å; I668-I721 HydrophobicContact CD1-CG2 4.4Å; I668-I721 HydrophobicContact CG1-CD1 3.87Å; I668-I721 HydrophobicContact CG1-CG1 4.23Å; I668-I721 HydrophobicContact CG1-CG2 4.22Å
669T89.7Confident84.4Confident100 Ų10059 Ų5961%0.61330%0.302SS*.Hα-helixtrans-64.2-48.8178.2-56.50000110.7D665 E666 T671 S672 S673D665-T669 VanDerWaalsContact O-CB 3.32Å; D665-T669 WeakPolarHBondContact O-CB 3.37Å; D665-T669 PolarHBondContact O-N 3.39Å; D665-T669 PolarHBondContact O-OG1 2.63Å; E666-T669 PolarHBondContact O-N 3.09Å; T669-T671 PolarHBondContact O-N 3.05Å; T669-S672 WeakPolarHBondContact O-CB 3.24Å; T669-S672 PolarHBondContact O-N 2.86Å; T669-S673 PolarHBondContact O-N 3.26Å
670F92.1Very high83.6Confident6 Ų656.3 Ų56.33%0.02629%0.29CS..Hα-helixtrans-58.8-48.2175.2171.3-99000112.6W635 E638 G639 L642 E666 S672 S673W635-F670 AromaticContact CD1-CE2 3.69Å; W635-F670 AromaticContact CD1-CZ 3.95Å; W635-F670 HydrophobicContact CD2-CE2 4.18Å; W635-F670 AromaticContact CD2-CZ 3.65Å; W635-F670 HydrophobicContact CD2-CZ 3.65Å; W635-F670 AromaticContact CE2-CE1 3.8Å; W635-F670 AromaticContact CE2-CE2 3.79Å; W635-F670 AromaticContact CE2-CZ 3.25Å; W635-F670 HydrophobicContact CE3-CZ 4.18Å; W635-F670 HydrophobicContact CG-CE2 4.12Å; W635-F670 HydrophobicContact CG-CZ 4.08Å; W635-F670 AromaticContact CH2-CE1 3.95Å; W635-F670 HydrophobicContact CH2-CE1 3.95Å; W635-F670 HydrophobicContact CH2-CZ 4.02Å; W635-F670 HydrophobicContact CZ2-CD1 4.36Å; W635-F670 AromaticContact CZ2-CE1 3.48Å; W635-F670 HydrophobicContact CZ2-CE1 3.48Å; W635-F670 VanDerWaalsContact CZ2-CE1 3.48Å; W635-F670 HydrophobicContact CZ2-CE2 4.34Å; W635-F670 AromaticContact CZ2-CZ 3.46Å; W635-F670 HydrophobicContact CZ2-CZ 3.46Å; W635-F670 VanDerWaalsContact CZ2-CZ 3.46Å; W635-F670 HydrophobicContact CZ3-CZ 4.35Å; W635-F670 AromaticContact NE1-CE2 3.47Å; W635-F670 AromaticContact NE1-CZ 3.47Å; W635-F670 WeakPolarHBondContact O-CE2 3.34Å; W635-F670 VanDerWaalsContact O-CZ 3.26Å; W635-F670 WeakPolarHBondContact O-CZ 3.44Å; E638-F670 HydrophobicContact CB-CE2 4.04Å; E638-F670 HydrophobicContact CG-CD2 4.03Å; E638-F670 HydrophobicContact CG-CE2 3.99Å; E638-F670 WeakPolarHBondContact OE1-CD2 3.35Å; G639-F670 VanDerWaalsContact CA-CE1 3.46Å; L642-F670 HydrophobicContact CD1-CB 3.44Å; L642-F670 VanDerWaalsContact CD1-CB 3.44Å; L642-F670 HydrophobicContact CD1-CD1 4.14Å; L642-F670 HydrophobicContact CD1-CD2 3.76Å; L642-F670 HydrophobicContact CD1-CG 3.48Å; L642-F670 VanDerWaalsContact CD1-CG 3.48Å; E666-F670 WeakPolarHBondContact O-CB 3.27Å; E666-F670 PolarHBondContact O-N 3.18Å; F670-S672 PolarHBondContact O-N 2.88Å; F670-S673 WeakPolarHBondContact O-CB 3.49Å; F670-S673 PolarHBondContact O-N 2.79Å; F670-S673 PolarHBondContact O-OG 3.17Å
671T86.5Confident82.8Confident29 Ų2957.1 Ų57.118%0.17829%0.294CS..Hα-helixtrans-61.6-33.8179.3-55.30000111.4L667 I668 T669 R674L667-T671 VanDerWaalsContact O-CB 3.25Å; L667-T671 WeakPolarHBondContact O-CB 3.11Å; L667-T671 PolarHBondContact O-N 3.5Å; L667-T671 PolarHBondContact O-OG1 3.48Å; I668-T671 PolarHBondContact O-N 3.42Å; T669-T671 PolarHBondContact O-N 3.05Å; T671-R674 WeakPolarHBondContact O-CB 3.25Å
672S85.4Confident81.9Confident76 Ų7657.7 Ų57.753%0.53130%0.296SS..Hα-helixtrans-70.2-33.8175-56.30000112.8I668 T669 F670 R674 Q675I668-S672 WeakPolarHBondContact O-CB 3.18Å; I668-S672 PolarHBondContact O-N 3.39Å; I668-S672 PolarHBondContact O-OG 2.89Å; T669-S672 WeakPolarHBondContact O-CB 3.24Å; T669-S672 PolarHBondContact O-N 2.86Å; F670-S672 PolarHBondContact O-N 2.88Å; S672-R674 PolarHBondContact O-N 2.85Å; S672-R674 VanDerWaalsContact O-N 3.14Å; S672-Q675 PolarHBondContact O-N 3.48Å; S672-Q675 VanDerWaalsContact O-N 3.14Å
673S87.4Confident80.9Confident25 Ų2558 Ų5818%0.17529%0.294CS..Hα-helixtrans-61.6-21.1178.979.70000114.2W635 T669 F670 Q675 S676 R677W635-S673 PolarHBondContact NE1-OG 2.97Å; T669-S673 PolarHBondContact O-N 3.26Å; F670-S673 WeakPolarHBondContact O-CB 3.49Å; F670-S673 PolarHBondContact O-N 2.79Å; F670-S673 PolarHBondContact O-OG 3.17Å; S673-Q675 PolarHBondContact O-N 3.21Å; S673-Q675 VanDerWaalsContact O-N 3.09Å; S673-S676 PolarHBondContact O-N 3.01Å; S673-S676 VanDerWaalsContact O-N 3.09Å; S673-S676 PolarHBondContact O-OG 3.43Å; S673-R677 PolarHBondContact O-N 3.1Å
674R83Confident79.9Confident73 Ų7359.5 Ų59.528%0.27531%0.311SS..Hα-helixtrans-51.8-32.3172.9-172.1178.5177.7-171.20.7112.3W635 T671 S672 L678 E711 A714W635-R674 HydrophobicContact CH2-CG 4.48Å; W635-R674 HydrophobicContact CZ2-CB 3.77Å; W635-R674 HydrophobicContact CZ2-CG 4.07Å; T671-R674 WeakPolarHBondContact O-CB 3.25Å; S672-R674 PolarHBondContact O-N 2.85Å; S672-R674 VanDerWaalsContact O-N 3.14Å; R674-L678 HydrophobicContact CG-CD1 4.33Å; R674-E711 IonicContact CZ-OE2 3.73Å; R674-E711 IonicContact NH1-OE2 3.48Å; R674-E711 PolarHBondContact NH1-OE2 2.94Å; R674-E711 IonicContact NH2-OE2 3.55Å; R674-E711 PolarHBondContact NH2-OE2 2.59Å; R674-A714 VanDerWaalsContact NH1-CB 3.32Å
675Q75.1Confident78.9Confident90 Ų9067 Ų6742%0.42134%0.342SS..Hα-helixtrans-74.5-23.6-176.9-176.554.277.700113.7S672 S673S672-Q675 PolarHBondContact O-N 3.48Å; S672-Q675 VanDerWaalsContact O-N 3.14Å; S673-Q675 PolarHBondContact O-N 3.21Å; S673-Q675 VanDerWaalsContact O-N 3.09Å
676S77.8Confident77.9Confident90 Ų9066.5 Ų66.563%0.62934%0.34SS*.Hα-helixtrans-105.9-25178.853.60000114S673S673-S676 PolarHBondContact O-N 3.01Å; S673-S676 VanDerWaalsContact O-N 3.09Å; S673-S676 PolarHBondContact O-OG 3.43Å
677R77.3Confident77Confident58 Ų5864 Ų6422%0.21933%0.328CS..Hα-helixtrans-87.6-21.5-177.5-73169.973.3173.35.2115S634 E638 S673S634-R677 PolarHBondContact OG-NH2 2.7Å; E638-R677 VanDerWaalsContact CD-NH1 3.32Å; E638-R677 IonicContact OE1-NH1 3.49Å; E638-R677 PolarHBondContact OE1-NH1 3.04Å; E638-R677 IonicContact OE2-CZ 2.67Å; E638-R677 VanDerWaalsContact OE2-CZ 3.28Å; E638-R677 IonicContact OE2-NH1 3.89Å; E638-R677 PolarHBondContact OE2-NH1 3.44Å; E638-R677 IonicContact OE2-NH2 2.9Å; E638-R677 PolarHBondContact OE2-NH2 3.06Å; S673-R677 PolarHBondContact O-N 3.1Å
678L78.9Confident75.9Confident5 Ų568.6 Ų68.63%0.02635%0.349CS..  trans-131.146.9-169.8-55.5177.5000112.1N631 A632 W635 R674 L681 R682 V710N631-L678 HydrophobicContact CB-CD2 4.17Å; A632-L678 HydrophobicContact CB-CD2 3.9Å; W635-L678 HydrophobicContact CB-CD1 4.29Å; W635-L678 HydrophobicContact CD2-CD1 3.97Å; W635-L678 HydrophobicContact CE3-CD1 4.12Å; W635-L678 HydrophobicContact CG-CD1 4.04Å; R674-L678 HydrophobicContact CG-CD1 4.33Å; L678-L681 HydrophobicContact CD2-CD1 4.12Å; L678-R682 VanDerWaalsContact O-CB 3.32Å; L678-R682 WeakPolarHBondContact O-CB 3.44Å; L678-R682 PolarHBondContact O-N 2.86Å; L678-V710 HydrophobicContact CD1-CG1 3.88Å; L678-V710 HydrophobicContact CD1-CG2 4.36Å
679E69.4Low75Confident130 Ų13069.9 Ų69.961%0.60736%0.363SS*.THydrogen-bonded Turntrans-64.1-43.6-173.8-69.6-154.4144.200113.6
680L66Low74Confident9 Ų971 Ų715%0.04736%0.356CS..THydrogen-bonded Turntrans-73.1-46.6-175.5-149.378000110.7Q624 E628 R682 N683 F687 L691Q624-L680 HydrophobicContact CG-CD2 4.19Å; E628-L680 HydrophobicContact CG-CB 3.9Å; E628-L680 HydrophobicContact CG-CD2 4.15Å; E628-L680 WeakPolarHBondContact OE1-CB 3.37Å; E628-L680 WeakPolarHBondContact OE2-CB 3.5Å; E628-L680 PolarHBondContact OE2-N 2.92Å; L680-R682 PolarHBondContact O-N 3.17Å; L680-N683 CarbonylContact O-C 3.59Å; L680-N683 PolarHBondContact O-N 3.39Å; L680-F687 HydrophobicContact CD2-CD2 4Å; L680-F687 HydrophobicContact CG-CD2 4.29Å; L680-L691 HydrophobicContact CD2-CD1 4.08Å
681L67.2Low73Confident16 Ų1670.8 Ų70.88%0.08436%0.355CS..THydrogen-bonded Turntrans-59.7-29.4177.3-69.9166.7000113.2E628 A632 L678 N683 F687 L703 L707E628-L681 HydrophobicContact CB-CD1 4.4Å; E628-L681 HydrophobicContact CB-CG 4.49Å; E628-L681 PolarHBondContact OE2-N 2.94Å; A632-L681 HydrophobicContact CB-CD1 3.76Å; L678-L681 HydrophobicContact CD2-CD1 4.12Å; L681-N683 VanDerWaalsContact C-N 3.26Å; L681-N683 PolarHBondContact O-N 2.68Å; L681-F687 HydrophobicContact CD2-CD2 3.86Å; L681-F687 HydrophobicContact CD2-CE2 3.64Å; L681-F687 HydrophobicContact CD2-CZ 4.46Å; L681-F687 HydrophobicContact CG-CD2 4.45Å; L681-F687 HydrophobicContact CG-CE2 4.46Å; L681-L703 HydrophobicContact CD2-CD1 4.21Å; L681-L703 HydrophobicContact CD2-CG 4.5Å; L681-L707 HydrophobicContact CB-CD2 4.02Å; L681-L707 HydrophobicContact CD2-CD2 3.87Å; L681-L707 HydrophobicContact CD2-CG 4.34Å; L681-L707 HydrophobicContact CG-CD2 4.48Å
682R65.9Low72.1Confident160 Ų16074 Ų7460%0.60438%0.375SS*.THydrogen-bonded Turntrans-68.8-17.7175.6179.9171.2171.2-93.29.4113.9L678 L680L678-R682 VanDerWaalsContact O-CB 3.32Å; L678-R682 WeakPolarHBondContact O-CB 3.44Å; L678-R682 PolarHBondContact O-N 2.86Å; L680-R682 PolarHBondContact O-N 3.17Å
683N67.8Low71.2Confident64 Ų6472.5 Ų72.534%0.34237%0.371SS..  trans-124.691.1178.6-170.8-18.8000111.5L680 L681 K685 L686 F687L680-N683 CarbonylContact O-C 3.59Å; L680-N683 PolarHBondContact O-N 3.39Å; L681-N683 VanDerWaalsContact C-N 3.26Å; L681-N683 PolarHBondContact O-N 2.68Å; N683-K685 PolarHBondContact O-N 2.85Å; N683-K685 PolarHBondContact OD1-N 2.95Å; N683-L686 HydrophobicContact CB-CB 4.16Å; N683-L686 HydrophobicContact CB-CD1 4.07Å; N683-L686 HydrophobicContact CB-CG 4.23Å; N683-L686 VanDerWaalsContact ND2-CD1 3.35Å; N683-L686 WeakPolarHBondContact ND2-CD1 3.35Å; N683-L686 WeakPolarHBondContact ND2-CG 3.42Å; N683-L686 PolarHBondContact O-N 3.36Å; N683-L686 PolarHBondContact OD1-N 3.41Å; N683-F687 PolarHBondContact O-N 3.08Å
684P64.1Low70.2Confident87 Ų8771.5 Ų71.557%0.56536%0.363SS*.Hα-helixtrans-53.3-29.1-178.1-29.735.9000114.6H688P684-H688 WeakPolarHBondContact O-CB 3.46Å; P684-H688 PolarHBondContact O-N 3.49Å
685K66.5Low69.5Low175 Ų17568.5 Ų68.576%0.76135%0.353SS*.Hα-helixtrans-70-42176.7-63.5-175178.8-177.90112N683 S689N683-K685 PolarHBondContact O-N 2.85Å; N683-K685 PolarHBondContact OD1-N 2.95Å; K685-S689 VanDerWaalsContact O-CB 3.28Å; K685-S689 WeakPolarHBondContact O-CB 3.33Å; K685-S689 PolarHBondContact O-N 3.36Å; K685-S689 PolarHBondContact O-OG 3.09Å
686L68.7Low69.3Low84 Ų8466.2 Ų66.244%0.4434%0.343SS..Hα-helixtrans-71.8-40.1176.4-69.7177.9000111.9N683 S689 R690N683-L686 HydrophobicContact CB-CB 4.16Å; N683-L686 HydrophobicContact CB-CD1 4.07Å; N683-L686 HydrophobicContact CB-CG 4.23Å; N683-L686 VanDerWaalsContact ND2-CD1 3.35Å; N683-L686 WeakPolarHBondContact ND2-CD1 3.35Å; N683-L686 WeakPolarHBondContact ND2-CG 3.42Å; N683-L686 PolarHBondContact O-N 3.36Å; N683-L686 PolarHBondContact OD1-N 3.41Å; L686-S689 WeakPolarHBondContact CA-OG 3.33Å; L686-S689 PolarHBondContact O-N 3.39Å; L686-S689 PolarHBondContact O-OG 3.29Å; L686-S689 VanDerWaalsContact O-OG 3.11Å; L686-R690 PolarHBondContact O-N 2.97Å; L686-R690 VanDerWaalsContact O-N 3.16Å
687F70.1Confident68.9Low6 Ų665.4 Ų65.43%0.02634%0.343CS..Hα-helixtrans-58.7-53.6174.6-172.8-82.1000110.6L625 L680 L681 N683 L691 L695 L703L625-F687 HydrophobicContact CD1-CZ 3.98Å; L680-F687 HydrophobicContact CD2-CD2 4Å; L680-F687 HydrophobicContact CG-CD2 4.29Å; L681-F687 HydrophobicContact CD2-CD2 3.86Å; L681-F687 HydrophobicContact CD2-CE2 3.64Å; L681-F687 HydrophobicContact CD2-CZ 4.46Å; L681-F687 HydrophobicContact CG-CD2 4.45Å; L681-F687 HydrophobicContact CG-CE2 4.46Å; N683-F687 PolarHBondContact O-N 3.08Å; F687-L691 HydrophobicContact CD1-CD1 4.16Å; F687-L691 HydrophobicContact CD2-CD1 3.81Å; F687-L691 HydrophobicContact CE1-CB 4.41Å; F687-L691 HydrophobicContact CE1-CD1 3.8Å; F687-L691 HydrophobicContact CE2-CD1 3.43Å; F687-L691 VanDerWaalsContact CE2-CD1 3.43Å; F687-L691 HydrophobicContact CG-CD1 4.15Å; F687-L691 HydrophobicContact CZ-CD1 3.4Å; F687-L691 VanDerWaalsContact CZ-CD1 3.4Å; F687-L691 WeakPolarHBondContact O-CB 3.36Å; F687-L691 PolarHBondContact O-N 3.19Å; F687-L695 HydrophobicContact CE1-CD1 3.92Å; F687-L695 HydrophobicContact CE1-CD2 4.13Å; F687-L695 HydrophobicContact CZ-CD2 4.4Å; F687-L703 HydrophobicContact CD1-CD2 4.12Å; F687-L703 HydrophobicContact CE1-CD1 4.36Å; F687-L703 HydrophobicContact CE1-CD2 3.35Å; F687-L703 HydrophobicContact CE1-CG 4.49Å; F687-L703 HydrophobicContact CE2-CD1 4.11Å; F687-L703 HydrophobicContact CE2-CD2 4.16Å; F687-L703 HydrophobicContact CZ-CD1 3.56Å; F687-L703 HydrophobicContact CZ-CD2 3.38Å; F687-L703 HydrophobicContact CZ-CG 4.11Å
688H66.6Low68.4Low98 Ų9866.6 Ų66.645%0.45435%0.353SS..Hα-helixtrans-62.2-44.5175.9-83.423.3000112.4P684 R690 L691 V692P684-H688 WeakPolarHBondContact O-CB 3.46Å; P684-H688 PolarHBondContact O-N 3.49Å; H688-R690 VanDerWaalsContact C-N 3.25Å; H688-R690 PolarHBondContact O-N 2.89Å; H688-L691 PolarHBondContact O-N 2.92Å; H688-V692 HydrophobicContact CB-CG2 4.04Å; H688-V692 WeakPolarHBondContact O-CB 3.39Å; H688-V692 WeakPolarHBondContact O-CG2 3.31Å; H688-V692 PolarHBondContact O-N 3.44Å
689S69.4Low67.9Low86 Ų8666.7 Ų66.760%0.60135%0.354SS*.Hα-helixtrans-62.8-29.6-17665.80000113.9K685 L686K685-S689 VanDerWaalsContact O-CB 3.28Å; K685-S689 WeakPolarHBondContact O-CB 3.33Å; K685-S689 PolarHBondContact O-N 3.36Å; K685-S689 PolarHBondContact O-OG 3.09Å; L686-S689 WeakPolarHBondContact CA-OG 3.33Å; L686-S689 PolarHBondContact O-N 3.39Å; L686-S689 PolarHBondContact O-OG 3.29Å; L686-S689 VanDerWaalsContact O-OG 3.11Å
690R68.8Low68.1Low125 Ų12565.1 Ų65.147%0.47235%0.345SS..Hα-helixtrans-84.2-38.8174.2-78.1174.9166.1165-3.1112.7R621 L686 H688R621-R690 PolarHBondContact NE-O 3.08Å; R621-R690 PolarHBondContact NH2-O 3.36Å; L686-R690 PolarHBondContact O-N 2.97Å; L686-R690 VanDerWaalsContact O-N 3.16Å; H688-R690 VanDerWaalsContact C-N 3.25Å; H688-R690 PolarHBondContact O-N 2.89Å
691L71.5Confident68.4Low0 Ų067.6 Ų67.60%036%0.363CS..Hα-helixtrans-106.3-7.5-164.4-60.4169.9000115R621 L625 L680 F687 H688 G693 L694 L695R621-L691 HydrophobicContact CB-CD2 4.44Å; R621-L691 VanDerWaalsContact O-CD2 3.32Å; R621-L691 WeakPolarHBondContact O-CD2 3.09Å; L625-L691 HydrophobicContact CB-CD1 4.4Å; L625-L691 HydrophobicContact CB-CD2 4.05Å; L625-L691 HydrophobicContact CD1-CD1 4.08Å; L680-L691 HydrophobicContact CD2-CD1 4.08Å; F687-L691 HydrophobicContact CD1-CD1 4.16Å; F687-L691 HydrophobicContact CD2-CD1 3.81Å; F687-L691 HydrophobicContact CE1-CB 4.41Å; F687-L691 HydrophobicContact CE1-CD1 3.8Å; F687-L691 HydrophobicContact CE2-CD1 3.43Å; F687-L691 VanDerWaalsContact CE2-CD1 3.43Å; F687-L691 HydrophobicContact CG-CD1 4.15Å; F687-L691 HydrophobicContact CZ-CD1 3.4Å; F687-L691 VanDerWaalsContact CZ-CD1 3.4Å; F687-L691 WeakPolarHBondContact O-CB 3.36Å; F687-L691 PolarHBondContact O-N 3.19Å; H688-L691 PolarHBondContact O-N 2.92Å; L691-G693 PolarHBondContact O-N 3.31Å; L691-L694 HydrophobicContact CD2-CD1 4.32Å; L691-L694 PolarHBondContact O-N 3.31Å; L691-L695 HydrophobicContact CB-CD1 4.17Å; L691-L695 HydrophobicContact CB-CD2 4.14Å; L691-L695 HydrophobicContact CB-CG 4.14Å; L691-L695 WeakPolarHBondContact O-CG 3.14Å
692V67.3Low68.5Low98 Ų9867.7 Ų67.759%0.59436%0.363SS*.THydrogen-bonded Turntrans-46.1-31.6-175.6137.20000115.6H688H688-V692 HydrophobicContact CB-CG2 4.04Å; H688-V692 WeakPolarHBondContact O-CB 3.39Å; H688-V692 WeakPolarHBondContact O-CG2 3.31Å; H688-V692 PolarHBondContact O-N 3.44Å
693G66.6Low69Low43 Ų4360.8 Ų60.844%0.44334%0.338SS..THydrogen-bonded Turntrans-881.1178.400000116.9I371 L691I371-G693 WeakPolarHBondContact CD1-O 3.43Å; L691-G693 PolarHBondContact O-N 3.31Å
694L67Low69.4Low4 Ų461.7 Ų61.72%0.02135%0.349CS..THydrogen-bonded Turntrans-117-15.3179-67.1178.8000113.7L369 R621 L622 L691L369-L694 HydrophobicContact CD2-CD2 3.7Å; R621-L694 HydrophobicContact CB-CD1 3.61Å; L622-L694 HydrophobicContact CB-CD1 4.2Å; L622-L694 HydrophobicContact CD1-CD1 4.5Å; L691-L694 HydrophobicContact CD2-CD1 4.32Å; L691-L694 PolarHBondContact O-N 3.31Å
695L68.4Low70.2Confident11 Ų1162.3 Ų62.36%0.05834%0.343CS..  trans-87.7115.6-173.9-51170.1000110.1L625 F687 L691 L699 K700L625-L695 HydrophobicContact CD1-CD2 4.09Å; L625-L695 HydrophobicContact CD2-CD2 4.38Å; F687-L695 HydrophobicContact CE1-CD1 3.92Å; F687-L695 HydrophobicContact CE1-CD2 4.13Å; F687-L695 HydrophobicContact CZ-CD2 4.4Å; L691-L695 HydrophobicContact CB-CD1 4.17Å; L691-L695 HydrophobicContact CB-CD2 4.14Å; L691-L695 HydrophobicContact CB-CG 4.14Å; L691-L695 WeakPolarHBondContact O-CG 3.14Å; L695-L699 HydrophobicContact CB-CD2 4.29Å; L695-L699 HydrophobicContact CD2-CD2 3.3Å; L695-L699 HydrophobicContact CG-CD2 4.36Å; L695-K700 HydrophobicContact CB-CD 4.48Å; L695-K700 HydrophobicContact CB-CG 3.92Å; L695-K700 PolarHBondContact O-NZ 2.89Å
696D69.6Low70.9Confident41 Ų4154.3 Ų54.322%0.21931%0.308CS..  trans-77.2-159.1169.571.726.2000111.8P370 D698 L699 K700P370-D696 HydrophobicContact CB-CB 4.38Å; P370-D696 WeakPolarHBondContact O-CB 3.49Å; D696-D698 PolarHBondContact OD1-N 3.4Å; D696-L699 VanDerWaalsContact OD1-CB 3.23Å; D696-L699 WeakPolarHBondContact OD1-CB 3.3Å; D696-L699 PolarHBondContact OD1-N 2.86Å; D696-K700 VanDerWaalsContact O-CD 3.23Å; D696-K700 WeakPolarHBondContact O-CD 3.39Å; D696-K700 WeakPolarHBondContact O-CE 3.42Å; D696-K700 WeakPolarHBondContact O-CG 3.12Å; D696-K700 PolarHBondContact O-NZ 3.09Å
697A70.4Confident71.4Confident74 Ų7453.5 Ų53.561%0.61230%0.304SS*.SBendtrans-84.6-37.9176.800000113.2S701A697-S701 PolarHBondContact O-N 3.2Å
698D65.7Low72.1Confident83 Ų8359.2 Ų59.244%0.44433%0.329SS..Hα-helixtrans-76.7-41.1-176-64.4-32.1000110.7H419 D696 K700 S701 H702H419-D698 IonicContact CE1-OD2 3.73Å; D696-D698 PolarHBondContact OD1-N 3.4Å; D698-K700 VanDerWaalsContact C-N 3.29Å; D698-K700 PolarHBondContact O-N 2.83Å; D698-S701 WeakPolarHBondContact O-CB 3.34Å; D698-S701 PolarHBondContact O-N 2.78Å; D698-S701 VanDerWaalsContact O-N 3.12Å; D698-H702 WeakPolarHBondContact O-CB 3.32Å; D698-H702 PolarHBondContact O-N 3.25Å; D698-H702 PolarHBondContact O-ND1 3.16Å
699L69.7Low72.9Confident6 Ų656.2 Ų56.23%0.03132%0.315CS..Hα-helixtrans-64.5-33.5175.3-165137.5000111.3P370 I422 L625 L695 D696 L703P370-L699 HydrophobicContact CB-CD1 4.36Å; P370-L699 HydrophobicContact CG-CD1 3.95Å; I422-L699 HydrophobicContact CD1-CD1 3.48Å; I422-L699 VanDerWaalsContact CD1-CD1 3.48Å; I422-L699 HydrophobicContact CD1-CG 3.61Å; L625-L699 HydrophobicContact CD1-CD2 4.39Å; L625-L699 HydrophobicContact CD2-CD1 4.4Å; L625-L699 HydrophobicContact CD2-CD2 4.06Å; L695-L699 HydrophobicContact CB-CD2 4.29Å; L695-L699 HydrophobicContact CD2-CD2 3.3Å; L695-L699 HydrophobicContact CG-CD2 4.36Å; D696-L699 VanDerWaalsContact OD1-CB 3.23Å; D696-L699 WeakPolarHBondContact OD1-CB 3.3Å; D696-L699 PolarHBondContact OD1-N 2.86Å; L699-L703 VanDerWaalsContact O-CB 3.24Å; L699-L703 WeakPolarHBondContact O-CB 3.49Å; L699-L703 PolarHBondContact O-N 3.41Å
700K73Confident73.7Confident98 Ų9852.4 Ų52.443%0.42629%0.288SS..Hα-helixtrans-66-45.7168.1-74.6176.9-168.51060112.3L695 D696 D698 H702 S704L695-K700 HydrophobicContact CB-CD 4.48Å; L695-K700 HydrophobicContact CB-CG 3.92Å; L695-K700 PolarHBondContact O-NZ 2.89Å; D696-K700 VanDerWaalsContact O-CD 3.23Å; D696-K700 WeakPolarHBondContact O-CD 3.39Å; D696-K700 WeakPolarHBondContact O-CE 3.42Å; D696-K700 WeakPolarHBondContact O-CG 3.12Å; D696-K700 PolarHBondContact O-NZ 3.09Å; D698-K700 VanDerWaalsContact C-N 3.29Å; D698-K700 PolarHBondContact O-N 2.83Å; K700-H702 VanDerWaalsContact C-N 3.35Å; K700-H702 PolarHBondContact O-N 3.32Å; K700-S704 WeakPolarHBondContact O-CB 3.11Å; K700-S704 PolarHBondContact O-N 2.58Å
701S72Confident74.5Confident61 Ų6150 Ų5043%0.42728%0.282SS..Hα-helixtrans-57.9-47.6177.3-179.30000111.2A697 D698 S704 K705A697-S701 PolarHBondContact O-N 3.2Å; D698-S701 WeakPolarHBondContact O-CB 3.34Å; D698-S701 PolarHBondContact O-N 2.78Å; D698-S701 VanDerWaalsContact O-N 3.12Å; S701-S704 WeakPolarHBondContact O-CB 3.37Å; S701-S704 PolarHBondContact O-N 3.44Å; S701-K705 PolarHBondContact O-N 2.93Å
702H70.1Confident75.2Confident18 Ų1852.8 Ų52.88%0.08330%0.297CS..Hα-helixtrans-70.5-42.1179.6-70.7106.6000113.8H419 I422 L426 D698 K700 S704 K705 L706H419-H702 AromaticContact NE2-CE1 3.41Å; H419-H702 PolarHBondContact NE2-CE1 3.28Å; H419-H702 AromaticContact NE2-ND1 3.98Å; I422-H702 HydrophobicContact CG2-CB 3.16Å; I422-H702 VanDerWaalsContact CG2-CG 3.47Å; L426-H702 HydrophobicContact CD1-CB 3.68Å; D698-H702 WeakPolarHBondContact O-CB 3.32Å; D698-H702 PolarHBondContact O-N 3.25Å; D698-H702 PolarHBondContact O-ND1 3.16Å; K700-H702 VanDerWaalsContact C-N 3.35Å; K700-H702 PolarHBondContact O-N 3.32Å; H702-S704 PolarHBondContact O-N 2.86Å; H702-K705 PolarHBondContact CD2-NZ 2.83Å; H702-K705 PolarHBondContact NE2-NZ 3.36Å; H702-K705 WeakPolarHBondContact O-CA 3.33Å; H702-K705 WeakPolarHBondContact O-CB 3.27Å; H702-K705 PolarHBondContact O-N 3.25Å; H702-L706 PolarHBondContact O-N 3.46Å
703L76.3Confident76.3Confident15 Ų1548.2 Ų48.28%0.07927%0.269CS..Hα-helixtrans-60.2-33173.2-165.7103.2000111.5I629 L681 F687 L699 K705 L706 L707I629-L703 HydrophobicContact CG1-CD1 4.23Å; L681-L703 HydrophobicContact CD2-CD1 4.21Å; L681-L703 HydrophobicContact CD2-CG 4.5Å; F687-L703 HydrophobicContact CD1-CD2 4.12Å; F687-L703 HydrophobicContact CE1-CD1 4.36Å; F687-L703 HydrophobicContact CE1-CD2 3.35Å; F687-L703 HydrophobicContact CE1-CG 4.49Å; F687-L703 HydrophobicContact CE2-CD1 4.11Å; F687-L703 HydrophobicContact CE2-CD2 4.16Å; F687-L703 HydrophobicContact CZ-CD1 3.56Å; F687-L703 HydrophobicContact CZ-CD2 3.38Å; F687-L703 HydrophobicContact CZ-CG 4.11Å; L699-L703 VanDerWaalsContact O-CB 3.24Å; L699-L703 WeakPolarHBondContact O-CB 3.49Å; L699-L703 PolarHBondContact O-N 3.41Å; L703-K705 VanDerWaalsContact C-N 3.33Å; L703-L706 PolarHBondContact O-N 3.01Å; L703-L707 HydrophobicContact CD2-CD1 3.9Å; L703-L707 HydrophobicContact CG-CD1 4.31Å; L703-L707 WeakPolarHBondContact O-CB 3.47Å; L703-L707 WeakPolarHBondContact O-CG 3.32Å; L703-L707 PolarHBondContact O-N 2.76Å
704S76.2Confident77.2Confident82 Ų8246.3 Ų46.357%0.57325%0.25SC*.Hα-helixtrans-69.4-25.9172.3-168.50000113.7K700 S701 H702 K708K700-S704 WeakPolarHBondContact O-CB 3.11Å; K700-S704 PolarHBondContact O-N 2.58Å; S701-S704 WeakPolarHBondContact O-CB 3.37Å; S701-S704 PolarHBondContact O-N 3.44Å; H702-S704 PolarHBondContact O-N 2.86Å; S704-K708 PolarHBondContact O-N 2.86Å
705K80.5Confident78.2Confident100 Ų10051 Ų5144%0.43527%0.271SS..Hα-helixtrans-72.5-46.4169.6-61.3169.6-171.51720110.3L426 S701 H702 L703 K708 Q709L426-K705 HydrophobicContact CD1-CB 4.11Å; L426-K705 HydrophobicContact CD1-CD 4.09Å; L426-K705 HydrophobicContact CD2-CB 4.05Å; S701-K705 PolarHBondContact O-N 2.93Å; H702-K705 PolarHBondContact CD2-NZ 2.83Å; H702-K705 PolarHBondContact NE2-NZ 3.36Å; H702-K705 WeakPolarHBondContact O-CA 3.33Å; H702-K705 WeakPolarHBondContact O-CB 3.27Å; H702-K705 PolarHBondContact O-N 3.25Å; L703-K705 VanDerWaalsContact C-N 3.33Å; K705-K708 WeakPolarHBondContact O-CA 3.41Å; K705-K708 WeakPolarHBondContact O-CB 3.49Å; K705-K708 PolarHBondContact O-N 3.46Å; K705-Q709 PolarHBondContact O-N 3.44Å
706L81.1Confident79.2Confident7 Ų754 Ų544%0.03729%0.288CS..Hα-helixtrans-60.3-49.3-179.8-167.466.7000111.4L426 I629 A632 I636 H702 L703 K708 Q709 V710L426-L706 HydrophobicContact CD2-CB 3.89Å; L426-L706 HydrophobicContact CD2-CD1 3.8Å; L426-L706 HydrophobicContact CD2-CG 4.46Å; I629-L706 HydrophobicContact CG1-CD2 4.34Å; I629-L706 HydrophobicContact CG2-CD2 4.21Å; A632-L706 HydrophobicContact CB-CD1 4.49Å; A632-L706 HydrophobicContact CB-CD2 3.89Å; A632-L706 HydrophobicContact CB-CG 4.15Å; I636-L706 HydrophobicContact CD1-CD1 3.64Å; I636-L706 HydrophobicContact CD1-CG 4.46Å; H702-L706 PolarHBondContact O-N 3.46Å; L703-L706 PolarHBondContact O-N 3.01Å; L706-K708 PolarHBondContact O-N 3.24Å; L706-Q709 PolarHBondContact O-N 3.39Å; L706-Q709 VanDerWaalsContact O-N 3.15Å; L706-V710 WeakPolarHBondContact O-CG2 3.47Å; L706-V710 PolarHBondContact O-N 3.47Å
707L80Confident80.1Confident67 Ų6752 Ų5235%0.35128%0.277SS..Hα-helixtrans-58.3-32.9174.3-77.3168000112.6L681 L703 E711L681-L707 HydrophobicContact CB-CD2 4.02Å; L681-L707 HydrophobicContact CD2-CD2 3.87Å; L681-L707 HydrophobicContact CD2-CG 4.34Å; L681-L707 HydrophobicContact CG-CD2 4.48Å; L703-L707 HydrophobicContact CD2-CD1 3.9Å; L703-L707 HydrophobicContact CG-CD1 4.31Å; L703-L707 WeakPolarHBondContact O-CB 3.47Å; L703-L707 WeakPolarHBondContact O-CG 3.32Å; L703-L707 PolarHBondContact O-N 2.76Å; L707-E711 PolarHBondContact O-N 3.42Å
708K83.9Confident81Confident126 Ų12652.7 Ų52.755%0.54827%0.27SS..Hα-helixtrans-70.8-46.3174.5-166.3-170.8176.3-97.80111.5S704 K705 L706 V710 E711 D712S704-K708 PolarHBondContact O-N 2.86Å; K705-K708 WeakPolarHBondContact O-CA 3.41Å; K705-K708 WeakPolarHBondContact O-CB 3.49Å; K705-K708 PolarHBondContact O-N 3.46Å; L706-K708 PolarHBondContact O-N 3.24Å; K708-V710 VanDerWaalsContact C-N 3.32Å; K708-V710 PolarHBondContact O-N 3.49Å; K708-E711 PolarHBondContact O-N 3.13Å; K708-E711 VanDerWaalsContact O-N 3.11Å; K708-D712 WeakPolarHBondContact CE-OD2 3.39Å; K708-D712 IonicContact NZ-OD1 2.68Å; K708-D712 IonicContact NZ-OD2 3.73Å; K708-D712 PolarHBondContact NZ-OD2 2.98Å; K708-D712 WeakPolarHBondContact O-CB 3.37Å; K708-D712 PolarHBondContact O-N 3.05Å
709Q84.8Confident82.1Confident35 Ų3554.3 Ų54.316%0.16428%0.278CS..Hα-helixtrans-58.2-42.7175.4-79166.7-39.200111.9N428 I636 K705 L706 E711 L713N428-Q709 PolarHBondContact OD1-NE2 2.74Å; I636-Q709 HydrophobicContact CD1-CB 3.83Å; K705-Q709 PolarHBondContact O-N 3.44Å; L706-Q709 PolarHBondContact O-N 3.39Å; L706-Q709 VanDerWaalsContact O-N 3.15Å; Q709-E711 VanDerWaalsContact C-N 3.27Å; Q709-E711 PolarHBondContact O-N 3.3Å; Q709-L713 WeakPolarHBondContact O-CB 3.45Å; Q709-L713 PolarHBondContact O-N 3.21Å
710V85.4Confident83Confident7 Ų754.4 Ų54.44%0.04228%0.28CS..Hα-helixtrans-57-40.8174.8172.50000111.8A632 W635 I636 L678 L706 K708 A714A632-V710 HydrophobicContact CB-CG2 4.43Å; W635-V710 HydrophobicContact CE3-CG1 4.11Å; W635-V710 HydrophobicContact CE3-CG2 4.45Å; W635-V710 HydrophobicContact CZ3-CB 4.39Å; W635-V710 HydrophobicContact CZ3-CG1 3.83Å; W635-V710 WeakPolarHBondContact CZ3-O 3.3Å; I636-V710 HydrophobicContact CD1-CG2 3.89Å; I636-V710 HydrophobicContact CG1-CG2 4.06Å; L678-V710 HydrophobicContact CD1-CG1 3.88Å; L678-V710 HydrophobicContact CD1-CG2 4.36Å; L706-V710 WeakPolarHBondContact O-CG2 3.47Å; L706-V710 PolarHBondContact O-N 3.47Å; K708-V710 VanDerWaalsContact C-N 3.32Å; K708-V710 PolarHBondContact O-N 3.49Å; V710-A714 VanDerWaalsContact O-CB 3.32Å; V710-A714 WeakPolarHBondContact O-CB 3.45Å; V710-A714 PolarHBondContact O-N 3.28Å; V710-A714 VanDerWaalsContact O-N 3.08Å
711E85.3Confident83.7Confident73 Ų7350.3 Ų50.334%0.34126%0.263SS..Hα-helixtrans-80.6-43.3-177.1-17254.3-144.200112.8R674 L707 K708 Q709 L713 A714 Q715R674-E711 IonicContact CZ-OE2 3.73Å; R674-E711 IonicContact NH1-OE2 3.48Å; R674-E711 PolarHBondContact NH1-OE2 2.94Å; R674-E711 IonicContact NH2-OE2 3.55Å; R674-E711 PolarHBondContact NH2-OE2 2.59Å; L707-E711 PolarHBondContact O-N 3.42Å; K708-E711 PolarHBondContact O-N 3.13Å; K708-E711 VanDerWaalsContact O-N 3.11Å; Q709-E711 VanDerWaalsContact C-N 3.27Å; Q709-E711 PolarHBondContact O-N 3.3Å; E711-L713 VanDerWaalsContact C-N 3.3Å; E711-L713 PolarHBondContact O-N 3.16Å; E711-A714 PolarHBondContact O-N 3.1Å; E711-Q715 WeakPolarHBondContact O-CG 3.4Å; E711-Q715 PolarHBondContact O-N 2.83Å; E711-Q715 PolarHBondContact OE1-NE2 3.13Å; E711-Q715 VanDerWaalsContact OE1-NE2 3.1Å
712D87.2Confident84.3Confident59 Ų5950.1 Ų50.132%0.31627%0.265SS..Hα-helixtrans-57.9-43.9173.3-71.7-13.4000110.4K708 Q715 N716K708-D712 WeakPolarHBondContact CE-OD2 3.39Å; K708-D712 IonicContact NZ-OD1 2.68Å; K708-D712 IonicContact NZ-OD2 3.73Å; K708-D712 PolarHBondContact NZ-OD2 2.98Å; K708-D712 WeakPolarHBondContact O-CB 3.37Å; K708-D712 PolarHBondContact O-N 3.05Å; D712-Q715 PolarHBondContact O-N 2.99Å; D712-N716 VanDerWaalsContact O-CG 3.31Å; D712-N716 PolarHBondContact O-N 3.43Å; D712-N716 PolarHBondContact O-ND2 2.96Å; D712-N716 VanDerWaalsContact O-ND2 3.16Å
713L89.1Confident85.1Confident2 Ų251.6 Ų51.61%0.0128%0.277CS..Hα-helixtrans-65.9-44176.3-179.159.4000112.2W635 I636 L643 Q709 E711 Q715 N716 C717W635-L713 HydrophobicContact CE3-CD2 4.23Å; W635-L713 HydrophobicContact CZ3-CB 4.39Å; W635-L713 HydrophobicContact CZ3-CD2 3.87Å; W635-L713 HydrophobicContact CZ3-CG 4.25Å; I636-L713 HydrophobicContact CB-CD2 4.34Å; I636-L713 HydrophobicContact CG1-CD2 4.36Å; I636-L713 HydrophobicContact CG2-CD2 4.39Å; L643-L713 HydrophobicContact CD2-CD1 4.42Å; Q709-L713 WeakPolarHBondContact O-CB 3.45Å; Q709-L713 PolarHBondContact O-N 3.21Å; E711-L713 VanDerWaalsContact C-N 3.3Å; E711-L713 PolarHBondContact O-N 3.16Å; L713-Q715 VanDerWaalsContact C-N 3.26Å; L713-Q715 PolarHBondContact O-N 3.4Å; L713-N716 PolarHBondContact O-N 3.48Å; L713-N716 VanDerWaalsContact O-N 3.14Å; L713-C717 PolarHBondContact O-N 2.67Å; L713-C717 PolarHBondContact O-SG 3.27Å; L713-C717 VanDerWaalsContact O-SG 3.39Å
714A86.7Confident85.5Confident4 Ų450.9 Ų50.93%0.03327%0.274CS..Hα-helixtrans-59.4-38.3175.700000111.9W635 R674 V710 E711 N718W635-A714 HydrophobicContact CH2-CB 4.12Å; R674-A714 VanDerWaalsContact NH1-CB 3.32Å; V710-A714 VanDerWaalsContact O-CB 3.32Å; V710-A714 WeakPolarHBondContact O-CB 3.45Å; V710-A714 PolarHBondContact O-N 3.28Å; V710-A714 VanDerWaalsContact O-N 3.08Å; E711-A714 PolarHBondContact O-N 3.1Å; A714-N718 PolarHBondContact O-N 2.63Å; A714-N718 VanDerWaalsContact O-N 3.15Å; A714-N718 PolarHBondContact O-ND2 3.4Å
715Q88Confident86.1Confident101 Ų10153.9 Ų53.947%0.47227%0.272SS..Hα-helixtrans-67.3-43174.5-69.5175.331.100111.5E711 D712 L713 C717 N718 L719E711-Q715 WeakPolarHBondContact O-CG 3.4Å; E711-Q715 PolarHBondContact O-N 2.83Å; E711-Q715 PolarHBondContact OE1-NE2 3.13Å; E711-Q715 VanDerWaalsContact OE1-NE2 3.1Å; D712-Q715 PolarHBondContact O-N 2.99Å; L713-Q715 VanDerWaalsContact C-N 3.26Å; L713-Q715 PolarHBondContact O-N 3.4Å; Q715-C717 PolarHBondContact O-N 3Å; Q715-N718 PolarHBondContact O-N 3.43Å; Q715-L719 WeakPolarHBondContact O-CG 3.38Å; Q715-L719 PolarHBondContact O-N 3.32Å
716N89.2Confident86.2Confident74 Ų7453.9 Ų53.940%0.39627%0.274SS..Hα-helixtrans-61-42.8175.5-73.3-34.8000113L643 D712 L713 N718 L719 A720L643-N716 HydrophobicContact CD1-CB 4.26Å; L643-N716 HydrophobicContact CD2-CB 3.77Å; D712-N716 VanDerWaalsContact O-CG 3.31Å; D712-N716 PolarHBondContact O-N 3.43Å; D712-N716 PolarHBondContact O-ND2 2.96Å; D712-N716 VanDerWaalsContact O-ND2 3.16Å; L713-N716 PolarHBondContact O-N 3.48Å; L713-N716 VanDerWaalsContact O-N 3.14Å; N716-N718 PolarHBondContact O-N 2.95Å; N716-L719 PolarHBondContact O-N 3.41Å; N716-A720 WeakPolarHBondContact O-CB 3.32Å; N716-A720 PolarHBondContact O-N 2.83Å
717C87.9Confident86.3Confident0 Ų054.8 Ų54.80%028%0.278CS..Hα-helixtrans-61.4-42.4174.1-67.40000111.9L667 L713 Q715 A720 I721L667-C717 HydrophobicContact CD2-CB 4.36Å; L713-C717 PolarHBondContact O-N 2.67Å; L713-C717 PolarHBondContact O-SG 3.27Å; L713-C717 VanDerWaalsContact O-SG 3.39Å; Q715-C717 PolarHBondContact O-N 3Å; C717-A720 PolarHBondContact O-N 3.46Å; C717-I721 VanDerWaalsContact O-CG1 3.29Å; C717-I721 WeakPolarHBondContact O-CG1 3.5Å; C717-I721 PolarHBondContact O-N 3.24Å
718N89.1Confident86.5Confident88 Ų8852.7 Ų52.747%0.47127%0.267SS..Hα-helixtrans-64.5-39.7175.5-81.8-74.2000112.6A714 Q715 N716 I721 A722A714-N718 PolarHBondContact O-N 2.63Å; A714-N718 VanDerWaalsContact O-N 3.15Å; A714-N718 PolarHBondContact O-ND2 3.4Å; Q715-N718 PolarHBondContact O-N 3.43Å; N716-N718 PolarHBondContact O-N 2.95Å; N718-I721 PolarHBondContact O-N 3.31Å; N718-A722 WeakPolarHBondContact O-CB 3.32Å; N718-A722 PolarHBondContact O-N 2.97Å
719L89.3Confident86.2Confident117 Ų11750.3 Ų50.361%0.61327%0.266SS*.Hα-helixtrans-64.9-39.2173.8-71.2170.8000111.9Q715 N716 A722 S723Q715-L719 WeakPolarHBondContact O-CG 3.38Å; Q715-L719 PolarHBondContact O-N 3.32Å; N716-L719 PolarHBondContact O-N 3.41Å; L719-A722 PolarHBondContact O-N 2.86Å; L719-S723 WeakPolarHBondContact O-CB 3.25Å; L719-S723 PolarHBondContact O-N 3.05Å
720A87.3Confident85.7Confident8 Ų856.5 Ų56.57%0.06629%0.288CS..Hα-helixtrans-63.8-47.9174.200000111.7L643 V646 L667 N716 C717 A722 S723 I724L643-A720 HydrophobicContact CD1-CB 3.82Å; V646-A720 HydrophobicContact CG1-CB 4.44Å; L667-A720 HydrophobicContact CD1-CB 3.77Å; N716-A720 WeakPolarHBondContact O-CB 3.32Å; N716-A720 PolarHBondContact O-N 2.83Å; C717-A720 PolarHBondContact O-N 3.46Å; A720-A722 VanDerWaalsContact C-N 3.3Å; A720-A722 PolarHBondContact O-N 3.31Å; A720-S723 WeakPolarHBondContact O-CB 3.45Å; A720-S723 PolarHBondContact O-N 3.43Å; A720-S723 VanDerWaalsContact O-N 3.13Å; A720-I724 VanDerWaalsContact O-CG1 3.26Å; A720-I724 WeakPolarHBondContact O-CG1 3.42Å; A720-I724 PolarHBondContact O-N 2.94Å
721I87.8Confident85Confident13 Ų1359.4 Ų59.47%0.06731%0.305CS..Hα-helixtrans-55.6-45.1174.3-68.6161.6000110.9M664 L667 I668 C717 N718 R725M664-I721 HydrophobicContact CG-CG2 4.16Å; L667-I721 HydrophobicContact CB-CD1 3.98Å; L667-I721 HydrophobicContact CB-CG1 3.66Å; L667-I721 HydrophobicContact CD1-CG1 4.3Å; I668-I721 HydrophobicContact CD1-CG2 4.4Å; I668-I721 HydrophobicContact CG1-CD1 3.87Å; I668-I721 HydrophobicContact CG1-CG1 4.23Å; I668-I721 HydrophobicContact CG1-CG2 4.22Å; C717-I721 VanDerWaalsContact O-CG1 3.29Å; C717-I721 WeakPolarHBondContact O-CG1 3.5Å; C717-I721 PolarHBondContact O-N 3.24Å; N718-I721 PolarHBondContact O-N 3.31Å; I721-R725 VanDerWaalsContact O-CB 3.29Å; I721-R725 WeakPolarHBondContact O-CB 3.48Å; I721-R725 PolarHBondContact O-N 3.15Å
722A86.3Confident83.8Confident56 Ų5658.2 Ų58.246%0.46331%0.306SS..Hα-helixtrans-65.1-40.1177.300000112.7N718 L719 A720 R725 Q726N718-A722 WeakPolarHBondContact O-CB 3.32Å; N718-A722 PolarHBondContact O-N 2.97Å; L719-A722 PolarHBondContact O-N 2.86Å; A720-A722 VanDerWaalsContact C-N 3.3Å; A720-A722 PolarHBondContact O-N 3.31Å; A722-R725 PolarHBondContact O-N 3.08Å; A722-Q726 WeakPolarHBondContact O-CB 3.38Å; A722-Q726 PolarHBondContact O-N 2.96Å
723S86Confident82.2Confident50 Ų5062.8 Ų62.835%0.3532%0.323SS..Hα-helixtrans-64.6-47.5177.2-170.90000112L652 L719 A720 R725 Q726 H727L652-S723 WeakPolarHBondContact CD2-OG 3.44Å; L719-S723 WeakPolarHBondContact O-CB 3.25Å; L719-S723 PolarHBondContact O-N 3.05Å; A720-S723 WeakPolarHBondContact O-CB 3.45Å; A720-S723 PolarHBondContact O-N 3.43Å; A720-S723 VanDerWaalsContact O-N 3.13Å; S723-R725 VanDerWaalsContact C-N 3.33Å; S723-R725 PolarHBondContact O-N 3.49Å; S723-Q726 PolarHBondContact O-N 2.99Å; S723-H727 PolarHBondContact O-N 3.37Å
724I85.7Confident80.1Confident0 Ų069 Ų690%036%0.363CS..Hα-helixtrans-60.6-44.1174.9-58.1159.6000110.4V646 L652 C660 R663 M664 L667 A720 Q726 H727 I728V646-I724 HydrophobicContact CG1-CD1 3.91Å; V646-I724 HydrophobicContact CG1-CG1 3.78Å; V646-I724 HydrophobicContact CG2-CD1 4.12Å; L652-I724 HydrophobicContact CD1-CB 4.32Å; L652-I724 HydrophobicContact CD1-CG1 3.93Å; L652-I724 HydrophobicContact CD1-CG2 4.31Å; C660-I724 HydrophobicContact CB-CG2 3.86Å; C660-I724 WeakPolarHBondContact O-CG2 3.35Å; R663-I724 HydrophobicContact CB-CD1 4.38Å; M664-I724 HydrophobicContact CB-CD1 4.41Å; M664-I724 HydrophobicContact CB-CG2 4.23Å; M664-I724 HydrophobicContact CE-CB 3.94Å; M664-I724 HydrophobicContact CE-CG2 3.68Å; L667-I724 HydrophobicContact CD1-CD1 3.89Å; A720-I724 VanDerWaalsContact O-CG1 3.26Å; A720-I724 WeakPolarHBondContact O-CG1 3.42Å; A720-I724 PolarHBondContact O-N 2.94Å; I724-Q726 VanDerWaalsContact C-N 3.29Å; I724-Q726 PolarHBondContact O-N 3.24Å; I724-H727 WeakPolarHBondContact O-CB 3.48Å; I724-H727 PolarHBondContact O-N 3.15Å; I724-H727 VanDerWaalsContact O-N 3.09Å; I724-I728 HydrophobicContact CG2-CD1 4.04Å; I724-I728 HydrophobicContact CG2-CG1 4.39Å; I724-I728 WeakPolarHBondContact O-CG1 3.47Å; I724-I728 PolarHBondContact O-N 3.26Å
725R86.8Confident77.7Confident145 Ų14578.4 Ų78.455%0.54740%0.398SS..Hα-helixtrans-59.2-42.1177.1-171.1176.7-69.7-178.8-1.9111.3M664 I721 A722 S723 S729M664-R725 VanDerWaalsContact CE-CA 3.49Å; M664-R725 HydrophobicContact CE-CB 3.69Å; M664-R725 HydrophobicContact CE-CG 4.41Å; I721-R725 VanDerWaalsContact O-CB 3.29Å; I721-R725 WeakPolarHBondContact O-CB 3.48Å; I721-R725 PolarHBondContact O-N 3.15Å; A722-R725 PolarHBondContact O-N 3.08Å; S723-R725 VanDerWaalsContact C-N 3.33Å; S723-R725 PolarHBondContact O-N 3.49Å; R725-S729 PolarHBondContact O-N 3.35Å; R725-S729 PolarHBondContact O-OG 3.31Å; R725-S729 VanDerWaalsContact O-OG 3.12Å
726Q84.6Confident75.2Confident100 Ų10081.7 Ų81.747%0.46742%0.419SS..Hα-helixtrans-67.1-36.3174.7-165.9179.982.200112.5A722 S723 I724 S729 R730A722-Q726 WeakPolarHBondContact O-CB 3.38Å; A722-Q726 PolarHBondContact O-N 2.96Å; S723-Q726 PolarHBondContact O-N 2.99Å; I724-Q726 VanDerWaalsContact C-N 3.29Å; I724-Q726 PolarHBondContact O-N 3.24Å; Q726-S729 PolarHBondContact O-N 3.15Å; Q726-R730 VanDerWaalsContact CD-NH2 3.29Å; Q726-R730 WeakPolarHBondContact O-CG 3.34Å; Q726-R730 PolarHBondContact O-N 3.31Å
727H82.9Confident72.7Confident26 Ų2685.4 Ų85.412%0.1243%0.433CS..Hα-helixtrans-66.3-46.1176-172.2-121.4000112.1L652 S723 I724 S729 R730 T731L652-H727 HydrophobicContact CD1-CB 4.05Å; L652-H727 HydrophobicContact CD2-CB 3.91Å; L652-H727 HydrophobicContact CG-CB 3.92Å; L652-H727 PolarHBondContact O-CE1 2.9Å; L652-H727 PolarHBondContact O-ND1 2.95Å; S723-H727 PolarHBondContact O-N 3.37Å; I724-H727 WeakPolarHBondContact O-CB 3.48Å; I724-H727 PolarHBondContact O-N 3.15Å; I724-H727 VanDerWaalsContact O-N 3.09Å; H727-S729 VanDerWaalsContact C-N 3.32Å; H727-S729 PolarHBondContact O-N 2.89Å; H727-R730 PolarHBondContact O-N 3.36Å; H727-R730 VanDerWaalsContact O-N 3.15Å; H727-T731 WeakPolarHBondContact NE2-CG2 3.35Å; H727-T731 PolarHBondContact O-N 3.31Å; H727-T731 PolarHBondContact O-OG1 2.94Å
728I83.1Confident70.3Confident22 Ų2290.1 Ų90.111%0.11346%0.464CS..Hα-helixtrans-57.5-44.8173.6-67.8172.9000110.3L657 C660 R661 M664 I724 R730 T731 S732L657-I728 HydrophobicContact CD2-CB 4.3Å; L657-I728 HydrophobicContact CD2-CG1 4.13Å; L657-I728 HydrophobicContact CD2-CG2 4.12Å; C660-I728 HydrophobicContact CB-CD1 3.89Å; C660-I728 HydrophobicContact CB-CG1 3.75Å; R661-I728 HydrophobicContact CG-CD1 4.04Å; M664-I728 HydrophobicContact CE-CD1 3.77Å; I724-I728 HydrophobicContact CG2-CD1 4.04Å; I724-I728 HydrophobicContact CG2-CG1 4.39Å; I724-I728 WeakPolarHBondContact O-CG1 3.47Å; I724-I728 PolarHBondContact O-N 3.26Å; I728-R730 VanDerWaalsContact C-N 3.34Å; I728-R730 PolarHBondContact O-N 3.43Å; I728-T731 PolarHBondContact O-OG1 3.19Å; I728-S732 WeakPolarHBondContact O-CB 3.43Å; I728-S732 PolarHBondContact O-N 3.39Å; I728-S732 PolarHBondContact O-OG 2.94Å
729S78Confident67.6Low76 Ų7692.6 Ų92.653%0.53148%0.477SS..Hα-helixtrans-67.2-27.3177.6-62.90000114.6R725 Q726 H727R725-S729 PolarHBondContact O-N 3.35Å; R725-S729 PolarHBondContact O-OG 3.31Å; R725-S729 VanDerWaalsContact O-OG 3.12Å; Q726-S729 PolarHBondContact O-N 3.15Å; H727-S729 VanDerWaalsContact C-N 3.32Å; H727-S729 PolarHBondContact O-N 2.89Å
730R74.7Confident64.8Low165 Ų16591.8 Ų91.862%0.62348%0.481SS*.Hα-helixtrans-80-43.3175.3-77.2-176.1-179.2118.84.4112.6Q726 H727 I728Q726-R730 VanDerWaalsContact CD-NH2 3.29Å; Q726-R730 WeakPolarHBondContact O-CG 3.34Å; Q726-R730 PolarHBondContact O-N 3.31Å; H727-R730 PolarHBondContact O-N 3.36Å; H727-R730 VanDerWaalsContact O-N 3.15Å; I728-R730 VanDerWaalsContact C-N 3.34Å; I728-R730 PolarHBondContact O-N 3.43Å
731T69.7Low62.2Low68 Ų68100.2 Ų100.242%0.41752%0.519SS..Hα-helixtrans-77.8-19.1-173.448.20000113.8L657 H727 I728L657-T731 WeakPolarHBondContact CD2-OG1 3.43Å; H727-T731 WeakPolarHBondContact NE2-CG2 3.35Å; H727-T731 PolarHBondContact O-N 3.31Å; H727-T731 PolarHBondContact O-OG1 2.94Å; I728-T731 PolarHBondContact O-OG1 3.19Å
732S61.4Low59.6Low49 Ų49105 Ų10534%0.34355%0.554SS.*THydrogen-bonded Turntrans-84.2-13.5178.447.50000115.3I728I728-S732 WeakPolarHBondContact O-CB 3.43Å; I728-S732 PolarHBondContact O-N 3.39Å; I728-S732 PolarHBondContact O-OG 2.94Å
733F53.1Low57.1Low155 Ų155111.8 Ų111.868%0.6857%0.574SS**  trans-145.495.4-175-64.7-80.2000114.2R735F733-R735 PolarHBondContact O-N 2.91Å
734P44.3Very low54.3Low132 Ų132116.3 Ų116.386%0.85759%0.594SS**PPolyproline II helixtrans-64.7129.8167.9-18.432.2000111.2
735R35.6Very low51.6Low202 Ų202121.3 Ų121.376%0.76263%0.629SS**PPolyproline II helixtrans-101.4131.3-176.8-75.5-174.1176.3177.3-0.7113.6F733F733-R735 PolarHBondContact O-N 2.91Å
736N36.8Very low48.7Very low169 Ų169119.2 Ų119.290%0.90464%0.636SS**PPolyproline II helixtrans-94.2152.3146.8-76.5-26.8000109.8
737H35.7Very low46.1Very low153 Ų153120.5 Ų120.571%0.70865%0.651SS**  trans-120.7175.2180-97.1-92.8000108.8
738P37.4Very low43.5Very low99 Ų99126.1 Ų126.164%0.64368%0.682SS**  cis-136.7-166.16.340.7-20.7000115.9
739N34Very low40.9Very low139 Ų139130 Ų13074%0.74371%0.711SS**  trans74.489.5150.3-67.9-1.7000123.2
740S30Very low38.5Very low101 Ų101134.5 Ų134.571%0.70673%0.729SS**  58.1136.8114.967.80000124.1
741Q31.3Very low36.3Very low184 Ų184129.9 Ų129.986%0.8673%0.733SS**  trans90.587.1159.4-57.8-166.16.400120.5
742S33.7Very low34.3Very low114 Ų114131.9 Ų131.980%0.79775%0.75SS**  trans-158.2135.1134.651.40000107.5
743F33.3Very low32.7Very low199 Ų199134.9 Ų134.987%0.87377%0.766SS**  86.6147.754.4-92.9-79.8000115
744N28.3Very low31.6Very low144 Ų144134.8 Ų134.877%0.7777%0.772SS**  trans-91.7-178-154.9-71.1-27.9000115.2
745S28.3Very low31Very low105 Ų105133.9 Ų133.973%0.73476%0.764SS**  trans74.9104.9152.950.10000119.5
746S27.6Very low30.8Very low102 Ų102129.3 Ų129.371%0.71376%0.763SS**  21.1126.6125.158.50000119.7
747T28.2Very low30.8Very low127 Ų127127.4 Ų127.478%0.77976%0.76SS**  -174.8143.810030.20000113.3
748N28.2Very low30.7Very low144 Ų144123.4 Ų123.477%0.7776%0.76SS**  trans43.9160.2138.9-61.6-4.8000124.3
749S28.7Very low30.2Very low103 Ų103124.9 Ų124.972%0.7277%0.768SS**  trans68.6117.9164.435.20000116.8
750N28.2Very low29.9Very low171 Ų171126.3 Ų126.391%0.91478%0.775SS**  cis92.2126.849.8-71.6-4.3000112
751G29.1Very low29.9Very low67 Ų67127.1 Ų127.169%0.69178%0.781SS**  trans124.274-175.300000111.1
752S28.1Very low30.2Very low111 Ų111123.6 Ų123.678%0.77677%0.774SS**  87.8170.971.275.40000113.4
753T27.7Very low30Very low112 Ų112125 Ų12569%0.68777%0.771SS**  trans90.593.7159.3-370000118
754L28.6Very low29.9Very low153 Ų153122.7 Ų122.780%0.80176%0.763SS**  trans65.8150140.4-55.1178.7000118.4
755T31.5Very low30Very low113 Ų113123.6 Ų123.669%0.69376%0.762SS**  cis-162.8150.210.3-5.50000112.5
756S33Very low30.3Very low105 Ų105122.4 Ų122.473%0.73476%0.759SS**  trans74.5164.5145-49.40000119.1
757P35.7Very low30.6Very low129 Ų129124.6 Ų124.684%0.83876%0.761SS**  -142.8168.1-94.835.5-12.2000118.6
758G33.5Very low30.8Very low70 Ų70126.5 Ų126.572%0.72276%0.761SS**  trans96.3146.4162.600000115.6
759T28.4Very low30.8Very low130 Ų130125 Ų12580%0.79876%0.762SS**  cis-149.9136.5-2.847.40000109.7
760N27Very low30.9Very low169 Ų169124.1 Ų124.190%0.90476%0.761SS**  trans-162.6111.7172.1-96-39.2000113.1
761S30.1Very low30.8Very low117 Ų117121.1 Ų121.182%0.81875%0.753SS**  trans174170.9172.253.40000110.1
762P37.6Very low30.6Very low111 Ų111122.6 Ų122.672%0.72175%0.753SS**  cis-130.5-150.2-40.334.9-14.5000111.7
763I29.9Very low30.6Very low143 Ų143121.8 Ų121.873%0.73375%0.748SS**  trans85.984.4173.4-52.3170.7000113.3
764Q31.3Very low30.5Very low151 Ų151121.4 Ų121.471%0.70675%0.749SS**  100.6164.191.7-130.191.6-9.500110.3
765E30.2Very low30.4Very low162 Ų162123.7 Ų123.776%0.75776%0.756SS**  cis-163.3153-10.3-148.2150.4-121.100106.1
766A33.2Very low30.3Very low80 Ų80121.5 Ų121.566%0.66176%0.756SS**  cis-163.3-164.8-26.700000108.2
767I34.4Very low30.1Very low148 Ų148124.1 Ų124.176%0.75976%0.761SS**  trans67.388.9171.2-52.3178.8000114.2
768E31.6Very low29.6Very low167 Ų167124.4 Ų124.478%0.7876%0.756SS**  72116.388.2-67.8172.7178.300113.5
769S29.9Very low29.4Very low112 Ų112127.3 Ų127.378%0.78375%0.754SS**  cis80.7141.946.989.60000113.7
770A30.7Very low29.6Very low86 Ų86129.3 Ų129.371%0.71176%0.755SS**  cis-157.1173.98.800000115
771S26.3Very low29.6Very low107 Ų107128.7 Ų128.775%0.74875%0.751SS**  trans-31.3166.2153.447.30000118.6
772S25.1Very low29.6Very low98 Ų98132.8 Ų132.869%0.68575%0.754SS**  cis-177.1-172.1-7.7520000111.1
773S26.6Very low28.9Very low95 Ų95137.2 Ų137.266%0.66476%0.762SS**  trans65.297.6143.553.30000121.7
774S26.8Very low28.9Very low103 Ų103136.8 Ų136.872%0.7277%0.766SS**  54138.6115.663.70000124.4
775E25.6Very low28.7Very low201 Ų201133.9 Ų133.994%0.93976%0.762SS**  trans79.1144.8154.3-69.7178.3-170.700120.6
776G29Very low28.5Very low68 Ų68133.6 Ų133.670%0.70177%0.766SS**  trans12672.1-177.600000114.4
777L29.6Very low28.5Very low159 Ų159135 Ų13583%0.83277%0.769SS**  76.294.894-74.9169.8000117.6
778N26Very low28.1Very low136 Ų136134.5 Ų134.573%0.72777%0.766SS**  46.5147.9129.3-69.5-22.5000124
779N28Very low27.9Very low130 Ų130134.2 Ų134.270%0.69577%0.765SS**  trans79142.5159.8-64.2-30.1000117.5
780H33.5Very low27.7Very low173 Ų173135.8 Ų135.880%0.80176%0.764SS**  cis-145.8152.53.4-112.3-21.5000113.2
781N25.7Very low27.6Very low156 Ų156136.9 Ų136.983%0.83477%0.766SS**  trans-92.5135.9172.3-84.8-54.4000112.5
782K30Very low27.5Very low203 Ų203139.1 Ų139.188%0.88377%0.77SS**  trans178.8122.8153.6-100.4157.8-175.8179.10107.2
783K24.6Very low27.8Very low203 Ų203142.3 Ų142.388%0.88378%0.778SS**  cis80.667.419.8-155.2-175.8-180178.50116.5
784V29.2Very low27.8Very low135 Ų135144.2 Ų144.282%0.81879%0.786SS**  trans-153.5147.8157-178.30000105.7
785S26.4Very low27.9Very low89 Ų89144.1 Ų144.162%0.62279%0.786SS**  172.4115.7-57.351.90000107.1
786N27.4Very low28Very low157 Ų157139.7 Ų139.784%0.8478%0.777SS**  trans68.3161.4165.8-57.5-0.9000117.6
787P32.4Very low28.1Very low110 Ų110140.9 Ų140.971%0.71477%0.771SS**  -132.6-149.5-59.636-17000111
788I25.7Very low28.1Very low137 Ų137141.8 Ų141.870%0.70377%0.771SS**  trans105.2126.1159.1-56.6168.9000117.7
789Q28.1Very low28.3Very low161 Ų161144 Ų14475%0.75278%0.781SS**  trans57.7110.1156.2-72.7159.9-2100122.4
790D24.8Very low28.3Very low145 Ų145143.4 Ų143.478%0.77579%0.788SS**  57.7154.5113.9-57.4-33.2000123.4
791S28.7Very low28Very low108 Ų108141.7 Ų141.776%0.75577%0.774SS**  trans80.6110.7165.464.50000119.5
792D25.6Very low28.1Very low155 Ų155142.3 Ų142.383%0.82978%0.777SS**  trans37110.1132.9-57.1-19.4000120.5
793L29.5Very low28Very low164 Ų164142 Ų14286%0.85978%0.779SS**  trans-125.888.8152.2-89.2172.9000111.7
794T27.5Very low28.1Very low135 Ų135137 Ų13783%0.82877%0.769SS**  trans-80.7113.2149.8520000109
795S29.4Very low28.1Very low102 Ų102137 Ų13771%0.71377%0.772SS**  trans-131.1128.1167.349.80000109.5
796S27.5Very low28.1Very low107 Ų107138.7 Ų138.775%0.74878%0.778SS**  cis98.680.933.2-66.90000113.1
797T29.9Very low28.4Very low94 Ų94135.4 Ų135.458%0.57777%0.768SS**  trans-11694.1152.446.60000106.8L972T797-L972 HydrophobicContact CG2-CD1 4.13Å; T797-L972 HydrophobicContact CG2-CD2 4Å; T797-L972 WeakPolarHBondContact OG1-CD2 3.43Å
798Q30.9Very low28.6Very low177 Ų177138 Ų13883%0.82778%0.775SS**  64.7102.999.9-72.5-166.816.100113.8
799L29.5Very low30.1Very low182 Ų182134.1 Ų134.195%0.95376%0.76SS**  trans-143.1121.9130.2-145.779.9000108.6
800S28.4Very low32.5Very low119 Ų119130.1 Ų130.183%0.83275%0.746SS**  trans-105.8112.9-174.653.60000111.3
801R27.4Very low35.2Very low137 Ų137126.2 Ų126.252%0.51773%0.729SS.*  trans-142.494.7165.4-177.4159.8-73.5-157.4-7.6111.7E963 S965R801-E963 IonicContact NH1-OE2 2.69Å; R801-S965 PolarHBondContact NH2-OG 3.42Å
802L26.9Very low37.8Very low169 Ų169122.9 Ų122.989%0.88571%0.711SS**  trans35.786.2144.1-66.3163.7000118
803E28Very low40.6Very low197 Ų197120.1 Ų120.192%0.92169%0.692SS**  trans-143.8164.6132-121177.9-147.800109.5
804S27.6Very low43.4Very low98 Ų98118 Ų11869%0.68567%0.673SS**  trans-83.2148.7-154.354.10000115.7T806S804-T806 PolarHBondContact O-N 2.91Å
805P27.6Very low46.5Very low134 Ų134112.7 Ų112.787%0.8764%0.638SS**SBendtrans-81.543.8-171.635.7-38.8000114.2
806T27.6Very low49.4Very low124 Ų124114.2 Ų114.276%0.76163%0.633SS**  trans-147.967.5-173.5-8.10000115.1S804S804-T806 PolarHBondContact O-N 2.91Å
807S33Very low52.3Low88 Ų88114.9 Ų114.962%0.61563%0.628SS**  trans-148140.7151.472.10000112.4S809 K813S807-S809 PolarHBondContact O-N 3.23Å; S807-K813 PolarHBondContact OG-NZ 3.04Å
808L37.5Very low55.2Low165 Ų165110.8 Ų110.886%0.86460%0.603SS**  trans-64.1124.2178.2-14472.7000109.4T810L808-T810 PolarHBondContact O-N 2.87Å
809S56.4Low58.2Low56 Ų56103.8 Ų103.839%0.39257%0.569SS.*  trans-71.296.5178.767.50000109.8S807 R814S807-S809 PolarHBondContact O-N 3.23Å; S809-R814 PolarHBondContact OG-NE 3.26Å; S809-R814 PolarHBondContact OG-NH2 3.36Å
810T78.7Confident61.2Low76 Ų76101.1 Ų101.147%0.46655%0.55SS.*  trans-61151175.155.20000110.8L808 G812 K813 R814L808-T810 PolarHBondContact O-N 2.87Å; T810-G812 VanDerWaalsContact C-N 3.26Å; T810-G812 PolarHBondContact O-N 3.39Å; T810-K813 WeakPolarHBondContact O-CB 3.22Å; T810-K813 PolarHBondContact O-N 3.14Å; T810-R814 PolarHBondContact O-N 3.48Å
811P81.1Confident64.3Low64 Ų6497.7 Ų97.742%0.41652%0.521SS..Hα-helixtrans-51.9-43.7178.7-29.336.3000112.9K813 R814 Y815 T1005P811-K813 VanDerWaalsContact C-N 3.34Å; P811-K813 PolarHBondContact O-N 3.03Å; P811-R814 CarbonylContact O-C 3.58Å; P811-R814 WeakPolarHBondContact O-CA 3.41Å; P811-R814 WeakPolarHBondContact O-CB 3.26Å; P811-R814 PolarHBondContact O-N 2.89Å; P811-Y815 PolarHBondContact O-N 2.93Å; P811-T1005 HydrophobicContact CB-CG2 3.59Å; P811-T1005 HydrophobicContact CG-CG2 3.97Å
812G83Confident67.4Low37 Ų3791.4 Ų91.438%0.38150%0.498SS..Hα-helixtrans-58.4-35.7175.200000114.8T810 Y815 Q816T810-G812 VanDerWaalsContact C-N 3.26Å; T810-G812 PolarHBondContact O-N 3.39Å; G812-Y815 PolarHBondContact O-N 2.95Å; G812-Q816 WeakPolarHBondContact O-CB 3.36Å; G812-Q816 VanDerWaalsContact O-CG 3.28Å; G812-Q816 WeakPolarHBondContact O-CG 3.49Å; G812-Q816 PolarHBondContact O-N 2.7Å
813K85.5Confident70.6Confident98 Ų9884 Ų8443%0.42646%0.459SS..Hα-helixtrans-65.4-39.3171.5-77.9-175.4177.9-173.20111.3S807 T810 P811 L817S807-K813 PolarHBondContact OG-NZ 3.04Å; T810-K813 WeakPolarHBondContact O-CB 3.22Å; T810-K813 PolarHBondContact O-N 3.14Å; P811-K813 VanDerWaalsContact C-N 3.34Å; P811-K813 PolarHBondContact O-N 3.03Å; K813-L817 VanDerWaalsContact O-CG 3.31Å; K813-L817 WeakPolarHBondContact O-CG 3.25Å; K813-L817 PolarHBondContact O-N 2.9Å; K813-L817 VanDerWaalsContact O-N 3.1Å
814R88.3Confident73.7Confident120 Ų12077.5 Ų77.545%0.45343%0.431SS..Hα-helixtrans-68.9-40.7177.1-58.3-174.3177176.3-0.8111.8S809 T810 P811 L817 A818 H1003S809-R814 PolarHBondContact OG-NE 3.26Å; S809-R814 PolarHBondContact OG-NH2 3.36Å; T810-R814 PolarHBondContact O-N 3.48Å; P811-R814 CarbonylContact O-C 3.58Å; P811-R814 WeakPolarHBondContact O-CA 3.41Å; P811-R814 WeakPolarHBondContact O-CB 3.26Å; P811-R814 PolarHBondContact O-N 2.89Å; R814-L817 PolarHBondContact O-N 3.13Å; R814-A818 PolarHBondContact O-N 3.36Å; R814-H1003 HydrophobicContact CB-CB 4.24Å; R814-H1003 WeakPolarHBondContact CB-CD2 3.44Å
815Y91.8Very high76.9Confident22 Ų2274.4 Ų74.49%0.08641%0.408CS..Hα-helixtrans-59-47.6173.8-175.2-91.8000111.6P811 G812 L817 A818 W819 G895 L1000 H1003 E1004 L1013P811-Y815 PolarHBondContact O-N 2.93Å; G812-Y815 PolarHBondContact O-N 2.95Å; Y815-L817 VanDerWaalsContact C-N 3.3Å; Y815-L817 PolarHBondContact O-N 3.16Å; Y815-A818 PolarHBondContact O-N 3.08Å; Y815-W819 WeakPolarHBondContact O-CB 3.43Å; Y815-W819 PolarHBondContact O-N 3.26Å; Y815-G895 WeakPolarHBondContact CE1-O 3.49Å; Y815-G895 PolarHBondContact OH-O 3.37Å; Y815-L1000 HydrophobicContact CD2-CB 4.33Å; Y815-L1000 HydrophobicContact CD2-CD2 3.76Å; Y815-L1000 HydrophobicContact CE1-CD2 4.35Å; Y815-L1000 HydrophobicContact CE2-CB 3.86Å; Y815-L1000 HydrophobicContact CE2-CD2 3.56Å; Y815-L1000 HydrophobicContact CE2-CG 4.3Å; Y815-L1000 HydrophobicContact CG-CD2 4.24Å; Y815-H1003 HydrophobicContact CD2-CB 4.43Å; Y815-E1004 HydrophobicContact CD2-CB 4.33Å; Y815-E1004 HydrophobicContact CE2-CB 4.25Å; Y815-L1013 HydrophobicContact CE2-CD1 3.79Å
816Q89.8Confident80.1Confident134 Ų13468 Ų6863%0.62637%0.367SS*.Hα-helixtrans-60.1-37.1174.9-74171.9-3.400112.9G812 K820G812-Q816 WeakPolarHBondContact O-CB 3.36Å; G812-Q816 VanDerWaalsContact O-CG 3.28Å; G812-Q816 WeakPolarHBondContact O-CG 3.49Å; G812-Q816 PolarHBondContact O-N 2.7Å; Q816-K820 WeakPolarHBondContact O-CB 3.5Å; Q816-K820 PolarHBondContact O-N 2.57Å
817L90.1Very high83.4Confident122 Ų12266 Ų6664%0.63935%0.348SS*.Hα-helixtrans-69.7-41.4175.2-71.8168.6000112.5K813 R814 Y815 K820 E821K813-L817 VanDerWaalsContact O-CG 3.31Å; K813-L817 WeakPolarHBondContact O-CG 3.25Å; K813-L817 PolarHBondContact O-N 2.9Å; K813-L817 VanDerWaalsContact O-N 3.1Å; R814-L817 PolarHBondContact O-N 3.13Å; Y815-L817 VanDerWaalsContact C-N 3.3Å; Y815-L817 PolarHBondContact O-N 3.16Å; L817-K820 PolarHBondContact O-N 2.98Å; L817-E821 PolarHBondContact O-N 2.9Å
818A90.9Very high86.2Confident7 Ų765.6 Ų65.66%0.05835%0.345CS..Hα-helixtrans-65.6-40174.800000112R814 Y815 E821 L822 R999 L1000R814-A818 PolarHBondContact O-N 3.36Å; Y815-A818 PolarHBondContact O-N 3.08Å; A818-E821 PolarHBondContact O-N 3.4Å; A818-L822 PolarHBondContact O-N 3.42Å; A818-R999 HydrophobicContact CB-CB 4.15Å; A818-L1000 HydrophobicContact CB-CD2 3.89Å; A818-L1000 HydrophobicContact CB-CG 4.37Å
819W93.1Very high88.9Confident30 Ų3058.2 Ų58.211%0.11431%0.305CS..Hα-helixtrans-61.8-44172.9178.2-105.4000111.6Y815 L822 V823 L890 C893 L900 L1000Y815-W819 WeakPolarHBondContact O-CB 3.43Å; Y815-W819 PolarHBondContact O-N 3.26Å; W819-L822 HydrophobicContact CE3-CD2 4.17Å; W819-L822 HydrophobicContact CZ3-CD2 3.99Å; W819-L822 PolarHBondContact O-N 3.26Å; W819-V823 HydrophobicContact CD2-CG2 4.4Å; W819-V823 HydrophobicContact CZ2-CG2 3.85Å; W819-V823 WeakPolarHBondContact O-CG2 3.3Å; W819-V823 PolarHBondContact O-N 3.17Å; W819-V823 VanDerWaalsContact O-N 3.09Å; W819-L890 HydrophobicContact CH2-CD1 3.79Å; W819-L890 HydrophobicContact CH2-CG 4.31Å; W819-L890 WeakPolarHBondContact CH2-O 3.5Å; W819-L890 WeakPolarHBondContact CZ2-O 3.41Å; W819-L890 HydrophobicContact CZ3-CD1 4.17Å; W819-C893 HydrophobicContact CH2-CB 3.8Å; W819-C893 HydrophobicContact CZ2-CB 4.35Å; W819-L900 HydrophobicContact CH2-CD1 4.25Å; W819-L900 HydrophobicContact CZ3-CD1 3.95Å; W819-L900 HydrophobicContact CZ3-CD2 4.02Å; W819-L1000 HydrophobicContact CB-CD2 4.12Å; W819-L1000 HydrophobicContact CE3-CD1 4.23Å
820K92.8Very high90.8Very high126 Ų12655.9 Ų55.955%0.54829%0.289SS..Hα-helixtrans-63.3-41.4175-173.9173.5179.9178.90112Q816 L817 L822 V823 D824Q816-K820 WeakPolarHBondContact O-CB 3.5Å; Q816-K820 PolarHBondContact O-N 2.57Å; L817-K820 PolarHBondContact O-N 2.98Å; K820-L822 PolarHBondContact O-N 2.83Å; K820-V823 PolarHBondContact O-N 2.9Å; K820-D824 WeakPolarHBondContact CE-OD2 3.28Å; K820-D824 WeakPolarHBondContact CG-OD2 3.26Å; K820-D824 WeakPolarHBondContact O-CB 3.41Å; K820-D824 PolarHBondContact O-N 3.47Å
821E93.4Very high91.5Very high48 Ų4855.2 Ų55.222%0.22428%0.282CS..Hα-helixtrans-57.9-47.4173.7-172.5-169.5174.100111.1L817 A818 V823 T825 R992 L996 R999L817-E821 PolarHBondContact O-N 2.9Å; A818-E821 PolarHBondContact O-N 3.4Å; E821-V823 PolarHBondContact O-N 2.74Å; E821-T825 HydrophobicContact CG-CG2 4.08Å; E821-T825 VanDerWaalsContact O-CB 3.25Å; E821-T825 WeakPolarHBondContact O-CB 3.39Å; E821-T825 VanDerWaalsContact O-CG2 3.22Å; E821-T825 WeakPolarHBondContact O-CG2 3.37Å; E821-T825 PolarHBondContact O-N 2.96Å; E821-T825 PolarHBondContact O-OG1 3.47Å; E821-R992 IonicContact OE1-CZ 3.17Å; E821-R992 IonicContact OE1-NE 3.56Å; E821-R992 IonicContact OE1-NH2 2.83Å; E821-R992 PolarHBondContact OE1-NH2 3.27Å; E821-L996 HydrophobicContact CB-CD2 4.41Å; E821-L996 HydrophobicContact CG-CD2 3.91Å; E821-R999 IonicContact OE1-NH1 3.98Å; E821-R999 PolarHBondContact OE1-NH1 3.32Å; E821-R999 IonicContact OE2-CZ 2.92Å; E821-R999 IonicContact OE2-NH1 2.67Å; E821-R999 PolarHBondContact OE2-NH1 3.4Å
822L93.5Very high92.1Very high4 Ų453 Ų532%0.02127%0.266CS..Hα-helixtrans-57.5-49.2179.1173.857.7000111.8A818 W819 K820 T825 E826 L890 R989 Y993 L996 L1000A818-L822 PolarHBondContact O-N 3.42Å; W819-L822 HydrophobicContact CE3-CD2 4.17Å; W819-L822 HydrophobicContact CZ3-CD2 3.99Å; W819-L822 PolarHBondContact O-N 3.26Å; K820-L822 PolarHBondContact O-N 2.83Å; L822-T825 PolarHBondContact O-OG1 3.39Å; L822-E826 PolarHBondContact O-N 3.49Å; L822-L890 HydrophobicContact CD2-CD1 4Å; L822-L890 HydrophobicContact CG-CD1 4.15Å; L822-L890 HydrophobicContact CG-CD2 4.24Å; L822-R989 PolarHBondContact O-NH2 3.3Å; L822-Y993 HydrophobicContact CD1-CD1 4.06Å; L822-Y993 HydrophobicContact CD1-CE1 4.3Å; L822-L996 HydrophobicContact CD1-CB 4.07Å; L822-L996 HydrophobicContact CD1-CD1 3.75Å; L822-L1000 HydrophobicContact CD2-CD1 4.04Å
823V94Very high92.7Very high13 Ų1351.3 Ų51.38%0.07925%0.248CC..Hα-helixtrans-70.6-47.3-179.2173.80000112.8W819 K820 E821 E826 K827 L890 I891W819-V823 HydrophobicContact CD2-CG2 4.4Å; W819-V823 HydrophobicContact CZ2-CG2 3.85Å; W819-V823 WeakPolarHBondContact O-CG2 3.3Å; W819-V823 PolarHBondContact O-N 3.17Å; W819-V823 VanDerWaalsContact O-N 3.09Å; K820-V823 PolarHBondContact O-N 2.9Å; E821-V823 PolarHBondContact O-N 2.74Å; V823-E826 WeakPolarHBondContact O-CB 3.32Å; V823-E826 PolarHBondContact O-N 3.32Å; V823-E826 VanDerWaalsContact O-N 3.16Å; V823-K827 PolarHBondContact O-N 2.89Å; V823-K827 VanDerWaalsContact O-N 3.09Å; V823-L890 HydrophobicContact CG2-CD2 4.15Å; V823-L890 HydrophobicContact CG2-CG 4.1Å; V823-I891 HydrophobicContact CG1-CG1 4.28Å
824D93Very high93.1Very high61 Ų6148.6 Ų48.633%0.32624%0.237SC..Hα-helixtrans-74-30-175.8-71.3-17.7000112K820 E826 K827 S828K820-D824 WeakPolarHBondContact CE-OD2 3.28Å; K820-D824 WeakPolarHBondContact CG-OD2 3.26Å; K820-D824 WeakPolarHBondContact O-CB 3.41Å; K820-D824 PolarHBondContact O-N 3.47Å; D824-E826 VanDerWaalsContact C-N 3.32Å; D824-K827 IonicContact OD1-NZ 2.71Å; D824-K827 PolarHBondContact OD1-NZ 2.89Å; D824-S828 WeakPolarHBondContact O-CB 3.17Å; D824-S828 PolarHBondContact O-N 2.93Å; D824-S828 VanDerWaalsContact O-N 3.08Å
825T94.7Very high93.2Very high34 Ų3443.9 Ų43.921%0.20922%0.22CC..Hα-helixtrans-72.6-23.5169.361.30000113E821 L822 Y829 R989E821-T825 HydrophobicContact CG-CG2 4.08Å; E821-T825 VanDerWaalsContact O-CB 3.25Å; E821-T825 WeakPolarHBondContact O-CB 3.39Å; E821-T825 VanDerWaalsContact O-CG2 3.22Å; E821-T825 WeakPolarHBondContact O-CG2 3.37Å; E821-T825 PolarHBondContact O-N 2.96Å; E821-T825 PolarHBondContact O-OG1 3.47Å; L822-T825 PolarHBondContact O-OG1 3.39Å; T825-Y829 WeakPolarHBondContact O-CB 3.33Å; T825-Y829 PolarHBondContact O-N 3.45Å; T825-R989 VanDerWaalsContact CB-NH1 3.32Å; T825-R989 PolarHBondContact OG1-NH1 2.94Å; T825-R989 PolarHBondContact OG1-NH2 3.03Å
826E94.9Very high93.2Very high0 Ų042.8 Ų42.80%022%0.216CC..Hα-helixtrans-71.6-47171.6-167.862.8-142.900111.1L822 V823 D824 S828 Y829 V830 H882 L886 L887 L890 R989 Y993L822-E826 PolarHBondContact O-N 3.49Å; V823-E826 WeakPolarHBondContact O-CB 3.32Å; V823-E826 PolarHBondContact O-N 3.32Å; V823-E826 VanDerWaalsContact O-N 3.16Å; D824-E826 VanDerWaalsContact C-N 3.32Å; E826-S828 VanDerWaalsContact C-N 3.28Å; E826-S828 PolarHBondContact O-N 2.83Å; E826-Y829 PolarHBondContact O-N 2.93Å; E826-Y829 VanDerWaalsContact O-N 3.13Å; E826-V830 WeakPolarHBondContact O-CG2 3.43Å; E826-V830 PolarHBondContact O-N 2.89Å; E826-H882 IonicContact OE1-CE1 2.65Å; E826-H882 IonicContact OE1-CG 3.73Å; E826-H882 IonicContact OE1-ND1 2.87Å; E826-H882 PolarHBondContact OE1-ND1 2.96Å; E826-L886 HydrophobicContact CG-CD2 3.98Å; E826-L887 HydrophobicContact CB-CD1 4.13Å; E826-L887 HydrophobicContact CG-CB 4.14Å; E826-L887 HydrophobicContact CG-CD1 4Å; E826-L890 HydrophobicContact CB-CD2 3.97Å; E826-L890 HydrophobicContact CG-CD2 4.14Å; E826-R989 IonicContact OE2-CZ 3.64Å; E826-R989 IonicContact OE2-NE 2.78Å; E826-R989 PolarHBondContact OE2-NE 3.19Å; E826-R989 IonicContact OE2-NH2 3.76Å; E826-R989 PolarHBondContact OE2-NH2 3.07Å; E826-Y993 VanDerWaalsContact CD-OH 3.28Å; E826-Y993 PolarHBondContact OE1-OH 2.74Å; E826-Y993 WeakPolarHBondContact OE2-CE1 3.49Å; E826-Y993 PolarHBondContact OE2-OH 3.45Å
827K95.2Very high93.3Very high82 Ų8238.7 Ų38.736%0.35720%0.195SC..Hα-helixtrans-55-45.4173.1-63.8169.3-169.51580111.6V823 D824 Y829 V830 N831 L887V823-K827 PolarHBondContact O-N 2.89Å; V823-K827 VanDerWaalsContact O-N 3.09Å; D824-K827 IonicContact OD1-NZ 2.71Å; D824-K827 PolarHBondContact OD1-NZ 2.89Å; K827-Y829 VanDerWaalsContact C-N 3.35Å; K827-Y829 PolarHBondContact O-N 2.87Å; K827-V830 PolarHBondContact O-N 3.01Å; K827-N831 WeakPolarHBondContact O-CB 3.47Å; K827-N831 PolarHBondContact O-N 3.46Å; K827-N831 PolarHBondContact O-ND2 3.32Å; K827-L887 HydrophobicContact CG-CD1 3.82Å; K827-L887 HydrophobicContact CG-CD2 4.11Å
828S92.4Very high93.2Very high79 Ų7934.3 Ų34.355%0.55217%0.172SC*.Hα-helixtrans-61.9-41.3177.8-169.60000112.1D824 E826 F832D824-S828 WeakPolarHBondContact O-CB 3.17Å; D824-S828 PolarHBondContact O-N 2.93Å; D824-S828 VanDerWaalsContact O-N 3.08Å; E826-S828 VanDerWaalsContact C-N 3.28Å; E826-S828 PolarHBondContact O-N 2.83Å; S828-F832 WeakPolarHBondContact O-CB 3.43Å; S828-F832 PolarHBondContact O-N 3.1Å
829Y95.3Very high93Very high10 Ų1034 Ų344%0.03917%0.169CC..Hα-helixtrans-67.3-44.4176178.4-110.7000112.8T825 E826 K827 N831 F832 L833 H882 Y915 T985 P986 R989T825-Y829 WeakPolarHBondContact O-CB 3.33Å; T825-Y829 PolarHBondContact O-N 3.45Å; E826-Y829 PolarHBondContact O-N 2.93Å; E826-Y829 VanDerWaalsContact O-N 3.13Å; K827-Y829 VanDerWaalsContact C-N 3.35Å; K827-Y829 PolarHBondContact O-N 2.87Å; Y829-N831 PolarHBondContact O-N 2.95Å; Y829-F832 HydrophobicContact CD2-CD1 4.25Å; Y829-F832 HydrophobicContact CE2-CD1 4.41Å; Y829-F832 WeakPolarHBondContact O-CB 3.33Å; Y829-F832 PolarHBondContact O-N 3.18Å; Y829-L833 HydrophobicContact CD1-CD1 4.16Å; Y829-L833 HydrophobicContact CD1-CG 4.43Å; Y829-L833 HydrophobicContact CE1-CD1 3.54Å; Y829-L833 HydrophobicContact CE1-CG 4.04Å; Y829-L833 HydrophobicContact CE2-CD1 4.44Å; Y829-L833 HydrophobicContact CE2-CD2 3.99Å; Y829-L833 HydrophobicContact CE2-CG 4.11Å; Y829-L833 WeakPolarHBondContact O-CG 3.28Å; Y829-L833 PolarHBondContact O-N 2.75Å; Y829-H882 AromaticContact CD1-ND1 3.71Å; Y829-H882 HydrophobicContact CE1-CB 4.4Å; Y829-H882 AromaticContact CE1-CD2 3.95Å; Y829-H882 AromaticContact CE1-CE1 3.58Å; Y829-H882 AromaticContact CE1-CG 3.7Å; Y829-H882 AromaticContact CE1-ND1 3.44Å; Y829-H882 WeakPolarHBondContact CE1-ND1 3.2Å; Y829-H882 AromaticContact CE1-NE2 3.88Å; Y829-Y915 PolarHBondContact OH-OH 3.41Å; Y829-T985 HydrophobicContact CD2-CG2 4.12Å; Y829-T985 HydrophobicContact CE2-CG2 4.13Å; Y829-P986 VanDerWaalsContact OH-CA 3.32Å; Y829-P986 WeakPolarHBondContact OH-CA 3.39Å; Y829-P986 VanDerWaalsContact OH-CB 3.31Å; Y829-P986 WeakPolarHBondContact OH-CB 3.33Å; Y829-R989 HydrophobicContact CD1-CB 4.42Å; Y829-R989 HydrophobicContact CD1-CG 3.7Å; Y829-R989 HydrophobicContact CD2-CB 3.98Å; Y829-R989 HydrophobicContact CD2-CG 4.01Å; Y829-R989 HydrophobicContact CE1-CB 4.15Å; Y829-R989 HydrophobicContact CE1-CG 3.73Å; Y829-R989 HydrophobicContact CE2-CB 3.68Å; Y829-R989 HydrophobicContact CE2-CG 4.04Å; Y829-R989 HydrophobicContact CG-CB 4.33Å; Y829-R989 HydrophobicContact CG-CG 3.83Å
830V95.9Very high92.6Very high7 Ų732.8 Ų32.84%0.04217%0.166CC..Hα-helixtrans-58.7-45.7174.4167.80000111.2E826 K827 F832 L833 Q834 H882 R883 L887E826-V830 WeakPolarHBondContact O-CG2 3.43Å; E826-V830 PolarHBondContact O-N 2.89Å; K827-V830 PolarHBondContact O-N 3.01Å; V830-F832 PolarHBondContact O-N 2.97Å; V830-L833 PolarHBondContact O-N 3.27Å; V830-Q834 WeakPolarHBondContact O-CB 3.25Å; V830-Q834 PolarHBondContact O-N 2.98Å; V830-H882 HydrophobicContact CG2-CB 3.92Å; V830-R883 HydrophobicContact CG1-CB 3.77Å; V830-R883 HydrophobicContact CG1-CG 3.8Å; V830-L887 HydrophobicContact CB-CD2 4.46Å; V830-L887 HydrophobicContact CG2-CB 4.42Å; V830-L887 HydrophobicContact CG2-CD2 4.19Å
831N93.7Very high92.1Very high62 Ų6228.7 Ų28.733%0.33215%0.147SC..Hα-helixtrans-63.2-42176.9-68.1-11.8000111.7K827 Y829 Q834 H835 I956K827-N831 WeakPolarHBondContact O-CB 3.47Å; K827-N831 PolarHBondContact O-N 3.46Å; K827-N831 PolarHBondContact O-ND2 3.32Å; Y829-N831 PolarHBondContact O-N 2.95Å; N831-Q834 PolarHBondContact O-N 3.34Å; N831-H835 PolarHBondContact O-CD2 3.34Å; N831-H835 PolarHBondContact O-N 3.21Å; N831-I956 HydrophobicContact CB-CD1 4.12Å
832F93.7Very high91.6Very high18 Ų1830.9 Ų30.98%0.07916%0.159CC..Hα-helixtrans-59.8-46.8173.7161.2-94.8000112.3S828 Y829 V830 Q834 H835 V836 W875 R982 T985S828-F832 WeakPolarHBondContact O-CB 3.43Å; S828-F832 PolarHBondContact O-N 3.1Å; Y829-F832 HydrophobicContact CD2-CD1 4.25Å; Y829-F832 HydrophobicContact CE2-CD1 4.41Å; Y829-F832 WeakPolarHBondContact O-CB 3.33Å; Y829-F832 PolarHBondContact O-N 3.18Å; V830-F832 PolarHBondContact O-N 2.97Å; F832-Q834 VanDerWaalsContact C-N 3.32Å; F832-Q834 PolarHBondContact O-N 2.85Å; F832-H835 PolarHBondContact O-N 3.16Å; F832-V836 HydrophobicContact CD2-CG2 4.33Å; F832-V836 HydrophobicContact CE2-CG2 3.91Å; F832-V836 HydrophobicContact CZ-CG2 4.15Å; F832-V836 WeakPolarHBondContact O-CG2 3.49Å; F832-V836 PolarHBondContact O-N 3.08Å; F832-V836 VanDerWaalsContact O-N 3.09Å; F832-W875 HydrophobicContact CD1-CZ2 4.37Å; F832-W875 AromaticContact CE1-CH2 3.61Å; F832-W875 HydrophobicContact CE1-CH2 3.61Å; F832-W875 AromaticContact CE1-CZ2 3.66Å; F832-W875 HydrophobicContact CE1-CZ2 3.66Å; F832-W875 AromaticContact CZ-CH2 3.75Å; F832-W875 HydrophobicContact CZ-CH2 3.75Å; F832-W875 AromaticContact CZ-CZ2 4Å; F832-W875 HydrophobicContact CZ-CZ2 4Å; F832-R982 HydrophobicContact CE2-CB 4.09Å; F832-R982 HydrophobicContact CE2-CG 4.26Å; F832-R982 HydrophobicContact CZ-CB 4.08Å; F832-R982 WeakPolarHBondContact CZ-O 3.42Å; F832-T985 HydrophobicContact CD1-CG2 3.97Å; F832-T985 HydrophobicContact CE1-CG2 3.64Å; F832-T985 HydrophobicContact CZ-CG2 4.08Å
833L94.3Very high90.7Very high0 Ų032.7 Ų32.70%017%0.169CC..Hα-helixtrans-59.9-43.8175.9-69.9-174000111.1Y829 V830 Y837 W875 L878 L879 H882 P986Y829-L833 HydrophobicContact CD1-CD1 4.16Å; Y829-L833 HydrophobicContact CD1-CG 4.43Å; Y829-L833 HydrophobicContact CE1-CD1 3.54Å; Y829-L833 HydrophobicContact CE1-CG 4.04Å; Y829-L833 HydrophobicContact CE2-CD1 4.44Å; Y829-L833 HydrophobicContact CE2-CD2 3.99Å; Y829-L833 HydrophobicContact CE2-CG 4.11Å; Y829-L833 WeakPolarHBondContact O-CG 3.28Å; Y829-L833 PolarHBondContact O-N 2.75Å; V830-L833 PolarHBondContact O-N 3.27Å; L833-Y837 WeakPolarHBondContact O-CB 3.43Å; L833-Y837 PolarHBondContact O-N 3.09Å; L833-W875 HydrophobicContact CD2-CD2 4.11Å; L833-W875 VanDerWaalsContact CD2-CE2 3.46Å; L833-W875 HydrophobicContact CD2-CH2 4.08Å; L833-W875 HydrophobicContact CD2-CZ2 3.45Å; L833-W875 VanDerWaalsContact CD2-CZ2 3.45Å; L833-W875 PolarHBondContact O-NE1 3.23Å; L833-L878 HydrophobicContact CD1-CB 4.39Å; L833-L879 HydrophobicContact CB-CB 4.29Å; L833-L879 HydrophobicContact CB-CD1 3.82Å; L833-L879 HydrophobicContact CD1-CB 4.48Å; L833-H882 HydrophobicContact CD1-CB 4.28Å; L833-P986 HydrophobicContact CD2-CG 4.35Å
834Q93.8Very high89.1Confident42 Ų4234 Ų3420%0.19618%0.178CC..Hα-helixtrans-64-46.8178.9-170.769.165.500111.4V830 N831 F832 V836 Y837 D838 L879V830-Q834 WeakPolarHBondContact O-CB 3.25Å; V830-Q834 PolarHBondContact O-N 2.98Å; N831-Q834 PolarHBondContact O-N 3.34Å; F832-Q834 VanDerWaalsContact C-N 3.32Å; F832-Q834 PolarHBondContact O-N 2.85Å; Q834-V836 PolarHBondContact O-N 3.39Å; Q834-Y837 PolarHBondContact O-N 3.32Å; Q834-D838 PolarHBondContact NE2-OD1 3.09Å; Q834-D838 PolarHBondContact O-N 2.75Å; Q834-L879 HydrophobicContact CB-CD1 4.01Å
835H91.6Very high87.8Confident20 Ų2033.2 Ų33.29%0.09317%0.174CC..Hα-helixtrans-59.5-46.2178.2-64.2173000112N831 F832 Y837 V839 V949 R952N831-H835 PolarHBondContact O-CD2 3.34Å; N831-H835 PolarHBondContact O-N 3.21Å; F832-H835 PolarHBondContact O-N 3.16Å; H835-Y837 VanDerWaalsContact C-N 3.33Å; H835-Y837 PolarHBondContact O-N 3.13Å; H835-V839 WeakPolarHBondContact O-CB 3.49Å; H835-V839 WeakPolarHBondContact O-CG2 3.37Å; H835-V839 PolarHBondContact O-N 3.41Å; H835-V949 HydrophobicContact CB-CG1 4.05Å; H835-V949 HydrophobicContact CB-CG2 4.43Å; H835-R952 HydrophobicContact CB-CB 4.48Å; H835-R952 VanDerWaalsContact CE1-C 3.42Å
836V91.1Very high85.9Confident0 Ų035.7 Ų35.70%019%0.186CC..Hα-helixtrans-64.2-40.3177.9171.60000111.1F832 Q834 V840 L872 W875 V949 F979F832-V836 HydrophobicContact CD2-CG2 4.33Å; F832-V836 HydrophobicContact CE2-CG2 3.91Å; F832-V836 HydrophobicContact CZ-CG2 4.15Å; F832-V836 WeakPolarHBondContact O-CG2 3.49Å; F832-V836 PolarHBondContact O-N 3.08Å; F832-V836 VanDerWaalsContact O-N 3.09Å; Q834-V836 PolarHBondContact O-N 3.39Å; V836-V840 HydrophobicContact CG1-CG2 4.47Å; V836-V840 VanDerWaalsContact O-CB 3.31Å; V836-V840 WeakPolarHBondContact O-CB 3.09Å; V836-V840 PolarHBondContact O-N 3Å; V836-L872 HydrophobicContact CG1-CD2 3.73Å; V836-W875 HydrophobicContact CB-CH2 4.41Å; V836-W875 HydrophobicContact CB-CZ2 3.52Å; V836-W875 HydrophobicContact CG1-CD2 4.43Å; V836-W875 HydrophobicContact CG1-CH2 4.08Å; V836-W875 HydrophobicContact CG1-CZ2 3.5Å; V836-W875 HydrophobicContact CG2-CH2 4.45Å; V836-W875 HydrophobicContact CG2-CZ2 3.85Å; V836-V949 HydrophobicContact CG2-CG1 4.18Å; V836-V949 HydrophobicContact CG2-CG2 4.29Å; V836-F979 HydrophobicContact CG1-CE2 4Å; V836-F979 HydrophobicContact CG1-CZ 4.15Å
837Y91.4Very high83.4Confident48 Ų4841.3 Ų41.319%0.18823%0.225CC..Iπ-helixtrans-63.5-51.9176.8177.9-100.2000112.1L833 Q834 H835 V839 W841 L842 P876 L879L833-Y837 WeakPolarHBondContact O-CB 3.43Å; L833-Y837 PolarHBondContact O-N 3.09Å; Q834-Y837 PolarHBondContact O-N 3.32Å; H835-Y837 VanDerWaalsContact C-N 3.33Å; H835-Y837 PolarHBondContact O-N 3.13Å; Y837-V839 VanDerWaalsContact C-N 3.26Å; Y837-V839 PolarHBondContact O-N 3.31Å; Y837-W841 HydrophobicContact CD2-CB 3.63Å; Y837-W841 HydrophobicContact CD2-CD2 4.15Å; Y837-W841 AromaticContact CD2-CG 3.73Å; Y837-W841 HydrophobicContact CD2-CG 3.73Å; Y837-W841 HydrophobicContact CE2-CB 3.84Å; Y837-W841 AromaticContact CE2-CD1 3.5Å; Y837-W841 VanDerWaalsContact CE2-CD1 3.5Å; Y837-W841 AromaticContact CE2-CD2 3.86Å; Y837-W841 HydrophobicContact CE2-CD2 3.86Å; Y837-W841 AromaticContact CE2-CG 3.46Å; Y837-W841 HydrophobicContact CE2-CG 3.46Å; Y837-W841 VanDerWaalsContact CE2-CG 3.46Å; Y837-W841 AromaticContact CE2-NE1 3.92Å; Y837-W841 HydrophobicContact CG-CB 4.23Å; Y837-W841 AromaticContact CZ-CD1 3.95Å; Y837-W841 VanDerWaalsContact O-CA 3.31Å; Y837-W841 WeakPolarHBondContact O-CA 3.37Å; Y837-W841 WeakPolarHBondContact O-CB 3.42Å; Y837-W841 PolarHBondContact O-N 3.48Å; Y837-L842 HydrophobicContact CD1-CD1 4.11Å; Y837-L842 HydrophobicContact CD1-CG 4.2Å; Y837-L842 HydrophobicContact CE1-CD1 3.6Å; Y837-L842 HydrophobicContact CE1-CD2 4.17Å; Y837-L842 HydrophobicContact CE1-CG 3.71Å; Y837-L842 PolarHBondContact O-N 2.69Å; Y837-P876 HydrophobicContact CD2-CG 4.38Å; Y837-P876 HydrophobicContact CE2-CB 4.1Å; Y837-P876 HydrophobicContact CE2-CG 3.98Å; Y837-L879 HydrophobicContact CD1-CD2 3.75Å; Y837-L879 HydrophobicContact CD2-CD2 4.31Å; Y837-L879 HydrophobicContact CE1-CD2 4.48Å; Y837-L879 HydrophobicContact CG-CD2 3.64Å
838D88.8Confident80.3Confident30 Ų3040.9 Ų40.916%0.1624%0.237CC..Iπ-helixtrans-57.5-42-179.1-61.4-19000111.9Q834 L842 D843 S844 R952Q834-D838 PolarHBondContact NE2-OD1 3.09Å; Q834-D838 PolarHBondContact O-N 2.75Å; D838-L842 CarbonylContact O-C 3.59Å; D838-L842 WeakPolarHBondContact O-CB 3.27Å; D838-L842 PolarHBondContact O-N 2.84Å; D838-D843 PolarHBondContact O-N 3.31Å; D838-S844 WeakPolarHBondContact O-CB 3.39Å; D838-S844 PolarHBondContact O-N 2.98Å; D838-R952 IonicContact OD2-NH1 3.93Å; D838-R952 PolarHBondContact OD2-NH1 3.14Å
839V86.9Confident77.5Confident0 Ų044 Ų440%025%0.247CC..Iπ-helixtrans-81.9-41.6-171.3176.90000112.2H835 Y837 I845 C945 E948 V949H835-V839 WeakPolarHBondContact O-CB 3.49Å; H835-V839 WeakPolarHBondContact O-CG2 3.37Å; H835-V839 PolarHBondContact O-N 3.41Å; Y837-V839 VanDerWaalsContact C-N 3.26Å; Y837-V839 PolarHBondContact O-N 3.31Å; V839-I845 HydrophobicContact CG1-CG1 4.37Å; V839-C945 HydrophobicContact CG1-CB 3.8Å; V839-E948 HydrophobicContact CB-CG 4.22Å; V839-E948 HydrophobicContact CG1-CB 3.97Å; V839-E948 HydrophobicContact CG1-CG 3.76Å; V839-E948 HydrophobicContact CG2-CB 4.29Å; V839-E948 HydrophobicContact CG2-CG 3.35Å; V839-V949 HydrophobicContact CB-CG2 3.97Å; V839-V949 HydrophobicContact CG1-CG2 4.17Å; V839-V949 HydrophobicContact CG2-CG2 3.95Å
840V83.8Confident74.6Confident5 Ų550.3 Ų50.33%0.0328%0.282CS..Iπ-helixtrans-98.1-35.5-173.2-176.30000112.2V836 Q860 L871 L872 W941 C945 F979V836-V840 HydrophobicContact CG1-CG2 4.47Å; V836-V840 VanDerWaalsContact O-CB 3.31Å; V836-V840 WeakPolarHBondContact O-CB 3.09Å; V836-V840 PolarHBondContact O-N 3Å; V840-Q860 PolarHBondContact O-NE2 3.33Å; V840-L871 HydrophobicContact CG1-CD2 4.38Å; V840-L872 HydrophobicContact CB-CD1 4.11Å; V840-L872 HydrophobicContact CG1-CD1 3.84Å; V840-W941 HydrophobicContact CG1-CH2 3.9Å; V840-W941 HydrophobicContact CG1-CZ2 4.29Å; V840-C945 HydrophobicContact CG2-CB 4.14Å; V840-F979 HydrophobicContact CG1-CZ 4.37Å; V840-F979 HydrophobicContact CG2-CE2 3.79Å; V840-F979 HydrophobicContact CG2-CZ 4.21Å
841W83.6Confident71.5Confident40 Ų4057.7 Ų57.715%0.15232%0.321CS..Iπ-helixtrans-90.4-49.1-179.6-161.9-71.5000111.7Y837 Q868 N869 L872 P876Y837-W841 HydrophobicContact CD2-CB 3.63Å; Y837-W841 HydrophobicContact CD2-CD2 4.15Å; Y837-W841 AromaticContact CD2-CG 3.73Å; Y837-W841 HydrophobicContact CD2-CG 3.73Å; Y837-W841 HydrophobicContact CE2-CB 3.84Å; Y837-W841 AromaticContact CE2-CD1 3.5Å; Y837-W841 VanDerWaalsContact CE2-CD1 3.5Å; Y837-W841 AromaticContact CE2-CD2 3.86Å; Y837-W841 HydrophobicContact CE2-CD2 3.86Å; Y837-W841 AromaticContact CE2-CG 3.46Å; Y837-W841 HydrophobicContact CE2-CG 3.46Å; Y837-W841 VanDerWaalsContact CE2-CG 3.46Å; Y837-W841 AromaticContact CE2-NE1 3.92Å; Y837-W841 HydrophobicContact CG-CB 4.23Å; Y837-W841 AromaticContact CZ-CD1 3.95Å; Y837-W841 VanDerWaalsContact O-CA 3.31Å; Y837-W841 WeakPolarHBondContact O-CA 3.37Å; Y837-W841 WeakPolarHBondContact O-CB 3.42Å; Y837-W841 PolarHBondContact O-N 3.48Å; W841-Q868 VanDerWaalsContact CD1-OE1 3.3Å; W841-Q868 HydrophobicContact CD2-CB 4.11Å; W841-Q868 VanDerWaalsContact CE2-OE1 3.27Å; W841-Q868 HydrophobicContact CE3-CB 3.87Å; W841-Q868 HydrophobicContact CH2-CB 4.22Å; W841-Q868 HydrophobicContact CZ2-CB 4.45Å; W841-Q868 HydrophobicContact CZ3-CB 3.93Å; W841-Q868 PolarHBondContact O-NE2 3.21Å; W841-N869 VanDerWaalsContact CH2-OD1 3.28Å; W841-N869 WeakPolarHBondContact CH2-OD1 3.5Å; W841-L872 HydrophobicContact CB-CD1 4.47Å; W841-L872 HydrophobicContact CE3-CB 4.13Å; W841-L872 HydrophobicContact CE3-CD1 3.75Å; W841-L872 HydrophobicContact CZ3-CB 4.05Å; W841-L872 HydrophobicContact CZ3-CD1 4.5Å; W841-P876 HydrophobicContact CD2-CG 4.09Å; W841-P876 HydrophobicContact CE3-CG 3.92Å; W841-P876 HydrophobicContact CH2-CG 3.46Å; W841-P876 VanDerWaalsContact CH2-CG 3.46Å; W841-P876 HydrophobicContact CZ2-CG 3.61Å; W841-P876 HydrophobicContact CZ3-CG 3.62Å
842L82.9Confident68.6Low93 Ų9363.2 Ų63.249%0.48735%0.345SS..SBendtrans-88.1-4.9-177.9-62.1-177.7000115.2Y837 D838 S844Y837-L842 HydrophobicContact CD1-CD1 4.11Å; Y837-L842 HydrophobicContact CD1-CG 4.2Å; Y837-L842 HydrophobicContact CE1-CD1 3.6Å; Y837-L842 HydrophobicContact CE1-CD2 4.17Å; Y837-L842 HydrophobicContact CE1-CG 3.71Å; Y837-L842 PolarHBondContact O-N 2.69Å; D838-L842 CarbonylContact O-C 3.59Å; D838-L842 WeakPolarHBondContact O-CB 3.27Å; D838-L842 PolarHBondContact O-N 2.84Å; L842-S844 VanDerWaalsContact C-N 3.27Å; L842-S844 PolarHBondContact O-N 3.26Å
843D74.7Confident65.5Low43 Ų4370.6 Ų70.623%0.2338%0.384CS..  trans64.330.5178-167.531.3000112.2D838 I845 Q860 K1272D838-D843 PolarHBondContact O-N 3.31Å; D843-I845 PolarHBondContact O-N 2.98Å; D843-Q860 HydrophobicContact CB-CB 4.41Å; D843-Q860 VanDerWaalsContact OD1-CB 3.27Å; D843-Q860 WeakPolarHBondContact OD1-CB 3.45Å; D843-Q860 PolarHBondContact OD1-N 2.87Å; D843-K1272 IonicContact OD2-NZ 3.37Å; D843-K1272 PolarHBondContact OD2-NZ 2.7Å
844S60.5Low62.5Low39 Ų3974.2 Ų74.227%0.27342%0.421SS..  trans-81.448.1-177.6-168.30000113.3D838 L842 D846 R952D838-S844 WeakPolarHBondContact O-CB 3.39Å; D838-S844 PolarHBondContact O-N 2.98Å; L842-S844 VanDerWaalsContact C-N 3.27Å; L842-S844 PolarHBondContact O-N 3.26Å; S844-D846 PolarHBondContact O-N 2.83Å; S844-D846 VanDerWaalsContact O-N 3.17Å; S844-R952 PolarHBondContact O-NH2 3.31Å; S844-R952 VanDerWaalsContact O-NH2 3.1Å; S844-R952 PolarHBondContact OG-NH2 3.18Å
845I64.2Low59.6Low45 Ų4578.4 Ų78.423%0.23145%0.45CS..  trans-78.798.4170.4-58178.9000107.8V839 D843 S847V839-I845 HydrophobicContact CG1-CG1 4.37Å; D843-I845 PolarHBondContact O-N 2.98Å; I845-S847 PolarHBondContact O-N 3.33Å
846D55.2Low57.3Low86 Ų8686.6 Ų86.646%0.4648%0.48SS..  trans-68.9104.1-168.3-65.5-52.1000111.3S844 A848 R952S844-D846 PolarHBondContact O-N 2.83Å; S844-D846 VanDerWaalsContact O-N 3.17Å; D846-A848 PolarHBondContact O-N 2.88Å; D846-R952 IonicContact OD1-NH2 2.82Å; D846-R952 IonicContact OD2-CZ 3.45Å; D846-R952 IonicContact OD2-NH2 3.81Å; D846-R952 PolarHBondContact OD2-NH2 3.17Å
847S42.1Very low55.3Low119 Ų11991.1 Ų91.183%0.83251%0.512SS*.  trans-72.926.5175.4-58.60000113.1I845I845-S847 PolarHBondContact O-N 3.33Å
848A31.4Very low53.8Low73 Ų7393 Ų9360%0.60352%0.519SS*.  trans-115.263.8-165.100000111.9D846D846-A848 PolarHBondContact O-N 2.88Å
849N32.5Very low52.6Low143 Ų14395.7 Ų95.777%0.76554%0.539SS*.SBendtrans-163147.2146.1-98.2-38.7000112.3
850N34Very low51.7Low143 Ų14396 Ų9677%0.76554%0.54SS*.  trans70.6116.5166.3-53.9-15.5000118E852N850-E852 PolarHBondContact O-N 3.4Å
851N31.5Very low51.1Low162 Ų16297 Ų9787%0.86655%0.547SS*.  trans-76.3106.2157.2-54.4-63000108.2
852E31.9Very low50.3Low179 Ų17999.6 Ų99.684%0.83657%0.567SS**SBendtrans-179.6140.3150.8-102.5155.9-149.400109.8N850N850-E852 PolarHBondContact O-N 3.4Å
853L30.1Very low49.4Very low172 Ų17296.7 Ų96.790%0.90155%0.551SS**SBendtrans31.499173.6-88.162.6000119.1
854G30.7Very low49.1Very low76 Ų7694.8 Ų94.878%0.78454%0.54SS*.  trans77.444.8139.600000118.3R856G854-R856 PolarHBondContact O-N 3.25Å; G854-R856 VanDerWaalsContact O-N 3.1Å
855T33.1Very low49.4Very low131 Ų13196.7 Ų96.780%0.80454%0.541SS*.  trans-61.6107.5176.9350000113.5S857T855-S857 PolarHBondContact O-N 3.31Å
856R43.2Very low49.3Very low191 Ų19199 Ų9972%0.72155%0.554SS**  trans-67.9116.9166.2-79.3-177.7172.4-177-1.5110.2G854 Y858G854-R856 PolarHBondContact O-N 3.25Å; G854-R856 VanDerWaalsContact O-N 3.1Å; R856-Y858 HydrophobicContact CB-CE1 4.4Å; R856-Y858 HydrophobicContact CB-CE2 3.97Å; R856-Y858 WeakPolarHBondContact CD-OH 3.44Å; R856-Y858 PolarHBondContact NH1-OH 3.07Å
857S48.9Very low49.8Very low95 Ų9596.2 Ų96.266%0.66454%0.54SS*.  trans-74.7131.2161.9-174.10000109.5T855 P859T855-S857 PolarHBondContact O-N 3.31Å; S857-P859 WeakPolarHBondContact O-CD 3.34Å
858Y60.2Low51.4Low87 Ų8791 Ų9134%0.34150%0.502SS..  trans-111.272.1172.5-63.3-73.4000109.3R856 A944R856-Y858 HydrophobicContact CB-CE1 4.4Å; R856-Y858 HydrophobicContact CB-CE2 3.97Å; R856-Y858 WeakPolarHBondContact CD-OH 3.44Å; R856-Y858 PolarHBondContact NH1-OH 3.07Å; Y858-A944 HydrophobicContact CD2-CB 4.01Å; Y858-A944 HydrophobicContact CG-CB 4.35Å
859P63.4Low53.5Low88 Ų8890.8 Ų90.857%0.57149%0.491SS*.PPolyproline II helixtrans-62.1140.4-176.227.4-35.7000111S857 P861S857-P859 WeakPolarHBondContact O-CD 3.34Å; P859-P861 VanDerWaalsContact O-CD 3.3Å; P859-P861 WeakPolarHBondContact O-CD 3.31Å; P859-P861 VanDerWaalsContact O-N 3.1Å
860Q68.8Low55.6Low7 Ų789.5 Ų89.53%0.03348%0.475CS..PPolyproline II helixtrans-48.9118.4174.9178.2-174.474.100110.8V840 D843 T862 M864 W941V840-Q860 PolarHBondContact O-NE2 3.33Å; D843-Q860 HydrophobicContact CB-CB 4.41Å; D843-Q860 VanDerWaalsContact OD1-CB 3.27Å; D843-Q860 WeakPolarHBondContact OD1-CB 3.45Å; D843-Q860 PolarHBondContact OD1-N 2.87Å; Q860-T862 PolarHBondContact O-N 2.86Å; Q860-M864 HydrophobicContact CG-CB 4.26Å; Q860-W941 HydrophobicContact CG-CZ2 4.1Å
861P69.9Low57.9Low25 Ų2582.8 Ų82.816%0.16244%0.439CS..PPolyproline II helixtrans-55.4139.1-179.4-29.637.4000111.7P859 F863 M864 R865 Y938 W941P859-P861 VanDerWaalsContact O-CD 3.3Å; P859-P861 WeakPolarHBondContact O-CD 3.31Å; P859-P861 VanDerWaalsContact O-N 3.1Å; P861-F863 VanDerWaalsContact C-N 3.31Å; P861-F863 PolarHBondContact O-N 3.23Å; P861-M864 WeakPolarHBondContact O-CA 3.33Å; P861-M864 WeakPolarHBondContact O-CB 3.31Å; P861-M864 PolarHBondContact O-N 2.93Å; P861-R865 PolarHBondContact O-N 2.94Å; P861-Y938 HydrophobicContact CB-CD1 3.88Å; P861-Y938 HydrophobicContact CB-CE1 3.58Å; P861-Y938 HydrophobicContact CG-CD1 3.88Å; P861-Y938 HydrophobicContact CG-CE1 4.12Å; P861-W941 VanDerWaalsContact CD-CD2 3.49Å; P861-W941 HydrophobicContact CG-CB 4.27Å; P861-W941 HydrophobicContact CG-CD2 4.11Å; P861-W941 HydrophobicContact CG-CE3 4.27Å; P861-W941 HydrophobicContact CG-CG 4.1Å
862T67Low60.6Low95 Ų9575.1 Ų75.158%0.58340%0.398SS*.Hα-helixtrans-51.5-48.9-175.447.90000112.3Q860 M864 R865Q860-T862 PolarHBondContact O-N 2.86Å; T862-M864 PolarHBondContact O-N 3.24Å; T862-M864 VanDerWaalsContact O-N 3.13Å; T862-R865 WeakPolarHBondContact O-CB 3.46Å; T862-R865 PolarHBondContact O-N 2.91Å; T862-R865 VanDerWaalsContact O-N 3.08Å
863F64.6Low63.2Low32 Ų3267 Ų6714%0.1436%0.361CS..Hα-helixtrans-48.8-40.6174.4161.8-104.2000113.3P861 N867 L932 Y938 L1092P861-F863 VanDerWaalsContact C-N 3.31Å; P861-F863 PolarHBondContact O-N 3.23Å; F863-N867 HydrophobicContact CD2-CB 4.44Å; F863-N867 HydrophobicContact CE2-CB 3.66Å; F863-N867 VanDerWaalsContact CE2-CG 3.41Å; F863-N867 VanDerWaalsContact CE2-ND2 3.32Å; F863-N867 WeakPolarHBondContact CE2-ND2 3.47Å; F863-N867 HydrophobicContact CZ-CB 3.74Å; F863-N867 WeakPolarHBondContact O-CB 3.47Å; F863-N867 PolarHBondContact O-N 3.22Å; F863-N867 PolarHBondContact O-ND2 2.83Å; F863-L932 HydrophobicContact CE1-CD2 4.46Å; F863-Y938 HydrophobicContact CB-CE1 4.37Å; F863-Y938 AromaticContact CD1-CE1 3.88Å; F863-Y938 HydrophobicContact CD1-CE1 3.88Å; F863-L1092 HydrophobicContact CE1-CD2 4.41Å; F863-L1092 HydrophobicContact CE2-CD2 3.59Å; F863-L1092 HydrophobicContact CZ-CD2 3.32Å
864M67.9Low66.1Low2 Ų259.2 Ų59.21%0.0132%0.32CS..Hα-helixtrans-73.9-33.2-177.9-99.3-73.6108.400113.4Q860 P861 T862 D866 N867 Q868 L871 L932 W941Q860-M864 HydrophobicContact CG-CB 4.26Å; P861-M864 WeakPolarHBondContact O-CA 3.33Å; P861-M864 WeakPolarHBondContact O-CB 3.31Å; P861-M864 PolarHBondContact O-N 2.93Å; T862-M864 PolarHBondContact O-N 3.24Å; T862-M864 VanDerWaalsContact O-N 3.13Å; M864-D866 PolarHBondContact O-N 3.24Å; M864-N867 HydrophobicContact CE-CB 4.29Å; M864-N867 PolarHBondContact O-N 3.39Å; M864-Q868 WeakPolarHBondContact O-CG 3.42Å; M864-Q868 PolarHBondContact O-N 3.36Å; M864-Q868 VanDerWaalsContact O-N 3.11Å; M864-L871 HydrophobicContact CE-CB 3.81Å; M864-L871 HydrophobicContact CE-CD2 4.18Å; M864-L871 HydrophobicContact SD-CB 4.1Å; M864-L871 HydrophobicContact SD-CD2 3.57Å; M864-L871 VanDerWaalsContact SD-CD2 3.57Å; M864-L871 HydrophobicContact SD-CG 4.48Å; M864-L932 HydrophobicContact CE-CD1 4.46Å; M864-W941 HydrophobicContact CB-CH2 4.1Å; M864-W941 HydrophobicContact CB-CZ3 4.36Å; M864-W941 HydrophobicContact CG-CH2 3.73Å; M864-W941 HydrophobicContact CG-CZ3 3.65Å; M864-W941 HydrophobicContact SD-CH2 4.01Å; M864-W941 HydrophobicContact SD-CZ3 4.19Å
865R66Low69Low79 Ų7955.6 Ų55.630%0.29828%0.283SS..Hα-helixtrans-55-42.2175.9-174.9-179.8-58.71569.4112.1P861 T862P861-R865 PolarHBondContact O-N 2.94Å; T862-R865 WeakPolarHBondContact O-CB 3.46Å; T862-R865 PolarHBondContact O-N 2.91Å; T862-R865 VanDerWaalsContact O-N 3.08Å
866D62.1Low71.8Confident93 Ų9350.8 Ų50.850%0.49725%0.254SS..THydrogen-bonded Turntrans-89.3-9.5-173.6-45.5-25.2000112.3M864M864-D866 PolarHBondContact O-N 3.24Å
867N65.6Low74.2Confident29 Ų2944.8 Ų44.816%0.15523%0.234CC..THydrogen-bonded Turntrans-130.519.9-170.5-68.1-92.7000114.4F863 M864 N869 R870F863-N867 HydrophobicContact CD2-CB 4.44Å; F863-N867 HydrophobicContact CE2-CB 3.66Å; F863-N867 VanDerWaalsContact CE2-CG 3.41Å; F863-N867 VanDerWaalsContact CE2-ND2 3.32Å; F863-N867 WeakPolarHBondContact CE2-ND2 3.47Å; F863-N867 HydrophobicContact CZ-CB 3.74Å; F863-N867 WeakPolarHBondContact O-CB 3.47Å; F863-N867 PolarHBondContact O-N 3.22Å; F863-N867 PolarHBondContact O-ND2 2.83Å; M864-N867 HydrophobicContact CE-CB 4.29Å; M864-N867 PolarHBondContact O-N 3.39Å; N867-N869 PolarHBondContact O-N 2.88Å; N867-N869 VanDerWaalsContact O-N 3.17Å; N867-R870 HydrophobicContact CB-CG 4.36Å; N867-R870 WeakPolarHBondContact O-CB 3.49Å; N867-R870 PolarHBondContact O-N 2.98Å; N867-R870 WeakPolarHBondContact OD1-CD 3.41Å; N867-R870 VanDerWaalsContact OD1-CZ 3.27Å; N867-R870 PolarHBondContact OD1-NE 3.49Å; N867-R870 VanDerWaalsContact OD1-NE 3.12Å
868Q76.6Confident76.3Confident9 Ų940.2 Ų40.24%0.04220%0.203CC..Hα-helixtrans-49.6-44.7-178.7-58.6-174.7-33.200112.3W841 M864 R870 L871 L872W841-Q868 VanDerWaalsContact CD1-OE1 3.3Å; W841-Q868 HydrophobicContact CD2-CB 4.11Å; W841-Q868 VanDerWaalsContact CE2-OE1 3.27Å; W841-Q868 HydrophobicContact CE3-CB 3.87Å; W841-Q868 HydrophobicContact CH2-CB 4.22Å; W841-Q868 HydrophobicContact CZ2-CB 4.45Å; W841-Q868 HydrophobicContact CZ3-CB 3.93Å; W841-Q868 PolarHBondContact O-NE2 3.21Å; M864-Q868 WeakPolarHBondContact O-CG 3.42Å; M864-Q868 PolarHBondContact O-N 3.36Å; M864-Q868 VanDerWaalsContact O-N 3.11Å; Q868-R870 PolarHBondContact O-N 3.1Å; Q868-R870 VanDerWaalsContact O-N 3.1Å; Q868-L871 PolarHBondContact O-N 2.99Å; Q868-L872 PolarHBondContact O-N 2.84Å
869N75.8Confident78Confident69 Ų6936.2 Ų36.237%0.36919%0.187SC..Hα-helixtrans-61-19178.7-48.135.6000113.8W841 N867 C873 V1269W841-N869 VanDerWaalsContact CH2-OD1 3.28Å; W841-N869 WeakPolarHBondContact CH2-OD1 3.5Å; N867-N869 PolarHBondContact O-N 2.88Å; N867-N869 VanDerWaalsContact O-N 3.17Å; N869-C873 WeakPolarHBondContact O-CA 2.92Å; N869-C873 PolarHBondContact O-N 2.71Å; N869-V1269 WeakPolarHBondContact OD1-CG2 3.34Å
870R75.6Confident79.5Confident116 Ų11635.8 Ų35.844%0.43818%0.177SC..Hα-helixtrans-81.3-28.6175.6-63.6-170.3-180-178.75.4113N867 Q868 L928 V1091 L1092N867-R870 HydrophobicContact CB-CG 4.36Å; N867-R870 WeakPolarHBondContact O-CB 3.49Å; N867-R870 PolarHBondContact O-N 2.98Å; N867-R870 WeakPolarHBondContact OD1-CD 3.41Å; N867-R870 VanDerWaalsContact OD1-CZ 3.27Å; N867-R870 PolarHBondContact OD1-NE 3.49Å; N867-R870 VanDerWaalsContact OD1-NE 3.12Å; Q868-R870 PolarHBondContact O-N 3.1Å; Q868-R870 VanDerWaalsContact O-N 3.1Å; R870-L928 HydrophobicContact CB-CD2 4.04Å; R870-V1091 PolarHBondContact NH1-O 3.26Å; R870-L1092 VanDerWaalsContact NH1-CD2 3.25Å
871L83.2Confident80.8Confident1 Ų135.8 Ų35.81%0.00518%0.177CC..Hα-helixtrans-93.8-30.4178.8-178.962.6000112V840 M864 Q868 L928 L932 F979 L983V840-L871 HydrophobicContact CG1-CD2 4.38Å; M864-L871 HydrophobicContact CE-CB 3.81Å; M864-L871 HydrophobicContact CE-CD2 4.18Å; M864-L871 HydrophobicContact SD-CB 4.1Å; M864-L871 HydrophobicContact SD-CD2 3.57Å; M864-L871 VanDerWaalsContact SD-CD2 3.57Å; M864-L871 HydrophobicContact SD-CG 4.48Å; Q868-L871 PolarHBondContact O-N 2.99Å; L871-L928 HydrophobicContact CB-CD2 4.26Å; L871-L928 HydrophobicContact CD1-CG 4.27Å; L871-L932 HydrophobicContact CD1-CD1 4.31Å; L871-L932 HydrophobicContact CD2-CD1 4.22Å; L871-F979 HydrophobicContact CD1-CD1 4.17Å; L871-F979 HydrophobicContact CD1-CE1 3.81Å; L871-F979 HydrophobicContact CD2-CD1 4.44Å; L871-F979 HydrophobicContact CD2-CE1 3.83Å; L871-F979 HydrophobicContact CD2-CZ 4.42Å; L871-F979 HydrophobicContact CG-CD1 4.48Å; L871-F979 HydrophobicContact CG-CE1 3.71Å; L871-F979 HydrophobicContact CG-CZ 4.48Å; L871-L983 HydrophobicContact CD1-CD1 4.07Å; L871-L983 WeakPolarHBondContact O-CD2 3.47Å
872L87.6Confident82Confident1 Ų134.6 Ų34.61%0.00517%0.17CC..Hα-helixtrans-112.5-2.1-175.7-75.7170.6000114.2V836 V840 W841 Q868 N874 W875 F979 L983V836-L872 HydrophobicContact CG1-CD2 3.73Å; V840-L872 HydrophobicContact CB-CD1 4.11Å; V840-L872 HydrophobicContact CG1-CD1 3.84Å; W841-L872 HydrophobicContact CB-CD1 4.47Å; W841-L872 HydrophobicContact CE3-CB 4.13Å; W841-L872 HydrophobicContact CE3-CD1 3.75Å; W841-L872 HydrophobicContact CZ3-CB 4.05Å; W841-L872 HydrophobicContact CZ3-CD1 4.5Å; Q868-L872 PolarHBondContact O-N 2.84Å; L872-N874 PolarHBondContact O-N 2.67Å; L872-W875 HydrophobicContact CB-CB 3.9Å; L872-W875 HydrophobicContact CD2-CB 4.28Å; L872-W875 HydrophobicContact CD2-CD2 3.67Å; L872-W875 HydrophobicContact CD2-CE3 3.58Å; L872-W875 HydrophobicContact CD2-CG 4.02Å; L872-W875 HydrophobicContact CD2-CZ3 4.1Å; L872-W875 VanDerWaalsContact O-CB 3.31Å; L872-W875 WeakPolarHBondContact O-CB 3.4Å; L872-W875 PolarHBondContact O-N 2.79Å; L872-F979 HydrophobicContact CD2-CZ 3.99Å; L872-L983 HydrophobicContact CD2-CD2 4.08Å
873C87.1Confident83.4Confident10 Ų1034.4 Ų34.47%0.06816%0.158CC..THydrogen-bonded Turntrans54.1-123.7-178.6-54.50000111.1N869 Y918 L921N869-C873 WeakPolarHBondContact O-CA 2.92Å; N869-C873 PolarHBondContact O-N 2.71Å; C873-Y918 HydrophobicContact CB-CD2 3.83Å; C873-Y918 HydrophobicContact CB-CE2 4.01Å; C873-L921 HydrophobicContact CB-CB 4.29Å; C873-L921 HydrophobicContact CB-CD1 4.31Å; C873-L921 WeakPolarHBondContact SG-CB 3.42Å
874N90.8Very high84.7Confident7 Ų736.2 Ų36.24%0.03717%0.169CC..THydrogen-bonded Turntrans-102.341.917562.1-51.4000112.8L872 P876 E877 L878 L914 I917 Y918L872-N874 PolarHBondContact O-N 2.67Å; N874-P876 VanDerWaalsContact C-CD 3.45Å; N874-E877 WeakPolarHBondContact CA-OE2 3.32Å; N874-E877 HydrophobicContact CB-CB 4.42Å; N874-E877 WeakPolarHBondContact CB-OE2 3.36Å; N874-E877 PolarHBondContact O-N 3.3Å; N874-L878 WeakPolarHBondContact O-CG 3.22Å; N874-L878 PolarHBondContact O-N 2.96Å; N874-L914 PolarHBondContact ND2-O 3.15Å; N874-I917 HydrophobicContact CB-CG2 4.07Å; N874-Y918 WeakPolarHBondContact OD1-CA 3.4Å; N874-Y918 WeakPolarHBondContact OD1-CB 3.33Å; N874-Y918 PolarHBondContact OD1-N 3.46Å
875W92.1Very high85.9Confident0 Ų038.5 Ų38.50%018%0.181CC..Hα-helixtrans-57.4-39.6175.7-156.1-81.2000114.4F832 L833 V836 L872 E877 L878 L879 Y918 L983 P986F832-W875 HydrophobicContact CD1-CZ2 4.37Å; F832-W875 AromaticContact CE1-CH2 3.61Å; F832-W875 HydrophobicContact CE1-CH2 3.61Å; F832-W875 AromaticContact CE1-CZ2 3.66Å; F832-W875 HydrophobicContact CE1-CZ2 3.66Å; F832-W875 AromaticContact CZ-CH2 3.75Å; F832-W875 HydrophobicContact CZ-CH2 3.75Å; F832-W875 AromaticContact CZ-CZ2 4Å; F832-W875 HydrophobicContact CZ-CZ2 4Å; L833-W875 HydrophobicContact CD2-CD2 4.11Å; L833-W875 VanDerWaalsContact CD2-CE2 3.46Å; L833-W875 HydrophobicContact CD2-CH2 4.08Å; L833-W875 HydrophobicContact CD2-CZ2 3.45Å; L833-W875 VanDerWaalsContact CD2-CZ2 3.45Å; L833-W875 PolarHBondContact O-NE1 3.23Å; V836-W875 HydrophobicContact CB-CH2 4.41Å; V836-W875 HydrophobicContact CB-CZ2 3.52Å; V836-W875 HydrophobicContact CG1-CD2 4.43Å; V836-W875 HydrophobicContact CG1-CH2 4.08Å; V836-W875 HydrophobicContact CG1-CZ2 3.5Å; V836-W875 HydrophobicContact CG2-CH2 4.45Å; V836-W875 HydrophobicContact CG2-CZ2 3.85Å; L872-W875 HydrophobicContact CB-CB 3.9Å; L872-W875 HydrophobicContact CD2-CB 4.28Å; L872-W875 HydrophobicContact CD2-CD2 3.67Å; L872-W875 HydrophobicContact CD2-CE3 3.58Å; L872-W875 HydrophobicContact CD2-CG 4.02Å; L872-W875 HydrophobicContact CD2-CZ3 4.1Å; L872-W875 VanDerWaalsContact O-CB 3.31Å; L872-W875 WeakPolarHBondContact O-CB 3.4Å; L872-W875 PolarHBondContact O-N 2.79Å; W875-E877 PolarHBondContact O-N 3.23Å; W875-L878 PolarHBondContact O-N 3.34Å; W875-L879 VanDerWaalsContact O-CB 3.32Å; W875-L879 WeakPolarHBondContact O-CB 3.28Å; W875-L879 PolarHBondContact O-N 3.38Å; W875-Y918 HydrophobicContact CE3-CE2 4.06Å; W875-Y918 HydrophobicContact CZ3-CE2 4.44Å; W875-L983 HydrophobicContact CE3-CD2 4.47Å; W875-L983 HydrophobicContact CZ3-CD2 3.92Å; W875-P986 HydrophobicContact CE3-CG 4.42Å; W875-P986 HydrophobicContact CH2-CG 4.21Å; W875-P986 HydrophobicContact CZ3-CG 3.87Å
876P92.1Very high87.1Confident31 Ų3134.8 Ų34.820%0.20117%0.167CC..Hα-helixtrans-61.9-41.8177-21.532.6000112.6Y837 W841 N874 L879 H880Y837-P876 HydrophobicContact CD2-CG 4.38Å; Y837-P876 HydrophobicContact CE2-CB 4.1Å; Y837-P876 HydrophobicContact CE2-CG 3.98Å; W841-P876 HydrophobicContact CD2-CG 4.09Å; W841-P876 HydrophobicContact CE3-CG 3.92Å; W841-P876 HydrophobicContact CH2-CG 3.46Å; W841-P876 VanDerWaalsContact CH2-CG 3.46Å; W841-P876 HydrophobicContact CZ2-CG 3.61Å; W841-P876 HydrophobicContact CZ3-CG 3.62Å; N874-P876 VanDerWaalsContact C-CD 3.45Å; P876-L879 PolarHBondContact O-N 2.95Å; P876-H880 WeakPolarHBondContact O-CB 3.31Å; P876-H880 PolarHBondContact O-N 3.38Å
877E92.5Very high88.6Confident64 Ų6431.5 Ų31.530%0.29915%0.149SC..Hα-helixtrans-69.1-39.9179.1-60.389.2154.500111.6N874 W875 F881 L914 I1260N874-E877 WeakPolarHBondContact CA-OE2 3.32Å; N874-E877 HydrophobicContact CB-CB 4.42Å; N874-E877 WeakPolarHBondContact CB-OE2 3.36Å; N874-E877 PolarHBondContact O-N 3.3Å; W875-E877 PolarHBondContact O-N 3.23Å; E877-F881 VanDerWaalsContact O-CB 3.28Å; E877-F881 WeakPolarHBondContact O-CB 3.4Å; E877-F881 PolarHBondContact O-N 2.98Å; E877-L914 HydrophobicContact CB-CD2 3.73Å; E877-I1260 HydrophobicContact CB-CD1 4.3Å; E877-I1260 HydrophobicContact CG-CD1 4.01Å; E877-I1260 HydrophobicContact CG-CG2 4.38Å
878L93.8Very high89.9Confident0 Ų033 Ų330%016%0.161CC..Hα-helixtrans-61.4-48.3170.8-75.2171.2000111.5L833 N874 W875 F881 H882 L914 Y915 Y918 P986L833-L878 HydrophobicContact CD1-CB 4.39Å; N874-L878 WeakPolarHBondContact O-CG 3.22Å; N874-L878 PolarHBondContact O-N 2.96Å; W875-L878 PolarHBondContact O-N 3.34Å; L878-F881 PolarHBondContact O-N 2.92Å; L878-H882 WeakPolarHBondContact O-CB 3.49Å; L878-H882 PolarHBondContact O-CD2 2.88Å; L878-H882 PolarHBondContact O-N 3.26Å; L878-L914 HydrophobicContact CD2-CB 4.01Å; L878-Y915 HydrophobicContact CD2-CD2 4.31Å; L878-Y915 HydrophobicContact CD2-CE1 4.06Å; L878-Y915 HydrophobicContact CD2-CE2 3.8Å; L878-Y918 HydrophobicContact CD1-CD2 3.44Å; L878-Y918 VanDerWaalsContact CD1-CD2 3.44Å; L878-Y918 HydrophobicContact CD1-CE2 4.02Å; L878-Y918 HydrophobicContact CD1-CG 3.89Å; L878-P986 HydrophobicContact CD1-CB 4.27Å
879L95.8Very high90.6Very high3 Ų336 Ų362%0.01617%0.174CC..Hα-helixtrans-59.7-49178.9172.557.3000111.4L833 Q834 Y837 W875 P876 H882 R883L833-L879 HydrophobicContact CB-CB 4.29Å; L833-L879 HydrophobicContact CB-CD1 3.82Å; L833-L879 HydrophobicContact CD1-CB 4.48Å; Q834-L879 HydrophobicContact CB-CD1 4.01Å; Y837-L879 HydrophobicContact CD1-CD2 3.75Å; Y837-L879 HydrophobicContact CD2-CD2 4.31Å; Y837-L879 HydrophobicContact CE1-CD2 4.48Å; Y837-L879 HydrophobicContact CG-CD2 3.64Å; W875-L879 VanDerWaalsContact O-CB 3.32Å; W875-L879 WeakPolarHBondContact O-CB 3.28Å; W875-L879 PolarHBondContact O-N 3.38Å; P876-L879 PolarHBondContact O-N 2.95Å; L879-H882 PolarHBondContact O-N 3.38Å; L879-R883 HydrophobicContact CD1-CB 4.32Å; L879-R883 WeakPolarHBondContact O-CB 3.3Å; L879-R883 PolarHBondContact O-N 3.17Å
880H95.1Very high91.3Very high78 Ų7832.7 Ų32.736%0.36116%0.157SC..Hα-helixtrans-57.2-51.7176.3173.247.8000111.6P876 H882 D884P876-H880 WeakPolarHBondContact O-CB 3.31Å; P876-H880 PolarHBondContact O-N 3.38Å; H880-H882 PolarHBondContact O-N 3.36Å; H880-D884 IonicContact CE1-OD2 3.25Å; H880-D884 IonicContact CG-OD2 2.97Å; H880-D884 IonicContact ND1-OD2 2.69Å; H880-D884 PolarHBondContact ND1-OD2 3.5Å; H880-D884 VanDerWaalsContact O-CB 3.31Å; H880-D884 WeakPolarHBondContact O-CB 3.48Å; H880-D884 PolarHBondContact O-N 3.25Å
881F94.9Very high92.1Very high8 Ų831.3 Ų31.34%0.03516%0.157CC..Iπ-helixtrans-60.7-46.7-179.9178.5-102000112.5E877 L878 I885 L886 M907 Y910 L911 L914E877-F881 VanDerWaalsContact O-CB 3.28Å; E877-F881 WeakPolarHBondContact O-CB 3.4Å; E877-F881 PolarHBondContact O-N 2.98Å; L878-F881 PolarHBondContact O-N 2.92Å; F881-I885 HydrophobicContact CD2-CB 4.35Å; F881-I885 HydrophobicContact CD2-CD1 4.12Å; F881-I885 CarbonylContact O-C 3.48Å; F881-I885 WeakPolarHBondContact O-CA 3.42Å; F881-I885 WeakPolarHBondContact O-CB 3.46Å; F881-I885 PolarHBondContact O-N 2.62Å; F881-I885 VanDerWaalsContact O-N 3.17Å; F881-L886 HydrophobicContact CD1-CD1 4.48Å; F881-L886 HydrophobicContact CE1-CB 4.41Å; F881-L886 HydrophobicContact CE1-CD1 3.93Å; F881-L886 PolarHBondContact O-N 3.22Å; F881-M907 HydrophobicContact CE1-CE 4.08Å; F881-M907 HydrophobicContact CE2-CE 3.57Å; F881-M907 HydrophobicContact CE2-SD 4.07Å; F881-M907 HydrophobicContact CZ-CE 3.3Å; F881-M907 HydrophobicContact CZ-SD 4.04Å; F881-Y910 HydrophobicContact CE2-CD2 4.48Å; F881-Y910 AromaticContact CE2-CG 3.95Å; F881-Y910 HydrophobicContact CE2-CG 3.95Å; F881-L911 HydrophobicContact CD1-CD2 4.48Å; F881-L911 HydrophobicContact CE1-CD2 3.58Å; F881-L911 HydrophobicContact CE1-CG 3.83Å; F881-L911 HydrophobicContact CZ-CD2 4.28Å; F881-L911 HydrophobicContact CZ-CG 4.02Å; F881-L914 HydrophobicContact CB-CD1 3.54Å; F881-L914 HydrophobicContact CD1-CD1 3.61Å; F881-L914 HydrophobicContact CD2-CD1 3.83Å; F881-L914 HydrophobicContact CE1-CD1 4.22Å; F881-L914 HydrophobicContact CE2-CD1 4.44Å; F881-L914 HydrophobicContact CG-CD1 3.37Å
882H95.9Very high92.4Very high0 Ų037.5 Ų37.50%019%0.186CC..Iπ-helixtrans-70.8-40.4-177.9-80.1-94.6000112.8E826 Y829 V830 L833 L878 L879 H880 L886 L887 Y915 Y993E826-H882 IonicContact OE1-CE1 2.65Å; E826-H882 IonicContact OE1-CG 3.73Å; E826-H882 IonicContact OE1-ND1 2.87Å; E826-H882 PolarHBondContact OE1-ND1 2.96Å; Y829-H882 AromaticContact CD1-ND1 3.71Å; Y829-H882 HydrophobicContact CE1-CB 4.4Å; Y829-H882 AromaticContact CE1-CD2 3.95Å; Y829-H882 AromaticContact CE1-CE1 3.58Å; Y829-H882 AromaticContact CE1-CG 3.7Å; Y829-H882 AromaticContact CE1-ND1 3.44Å; Y829-H882 WeakPolarHBondContact CE1-ND1 3.2Å; Y829-H882 AromaticContact CE1-NE2 3.88Å; V830-H882 HydrophobicContact CG2-CB 3.92Å; L833-H882 HydrophobicContact CD1-CB 4.28Å; L878-H882 WeakPolarHBondContact O-CB 3.49Å; L878-H882 PolarHBondContact O-CD2 2.88Å; L878-H882 PolarHBondContact O-N 3.26Å; L879-H882 PolarHBondContact O-N 3.38Å; H880-H882 PolarHBondContact O-N 3.36Å; H882-L886 WeakPolarHBondContact ND1-CD1 3.31Å; H882-L887 VanDerWaalsContact O-CB 3.31Å; H882-L887 WeakPolarHBondContact O-CB 3.01Å; H882-L887 PolarHBondContact O-N 3.46Å; H882-Y915 PolarHBondContact CE1-OH 2.95Å; H882-Y915 AromaticContact NE2-CE2 3.59Å; H882-Y915 AromaticContact NE2-CZ 3.63Å; H882-Y915 PolarHBondContact NE2-OH 2.76Å; H882-Y993 PolarHBondContact CE1-OH 3.22Å; H882-Y993 PolarHBondContact ND1-OH 2.73Å
883R95.8Very high92.5Very high91 Ų9137.9 Ų37.934%0.34319%0.189SC..Iπ-helixtrans-74.8-48.7-178.7-172.4-174.568.1-148.2-8.3112.9V830 L879 P888V830-R883 HydrophobicContact CG1-CB 3.77Å; V830-R883 HydrophobicContact CG1-CG 3.8Å; L879-R883 HydrophobicContact CD1-CB 4.32Å; L879-R883 WeakPolarHBondContact O-CB 3.3Å; L879-R883 PolarHBondContact O-N 3.17Å; R883-P888 WeakPolarHBondContact O-CD 3.42Å
884D93Very high92.6Very high70 Ų7043.6 Ų43.637%0.37422%0.218SC..Iπ-helixtrans-99.1-17-165.7-53.3-35.2000112.8H880H880-D884 IonicContact CE1-OD2 3.25Å; H880-D884 IonicContact CG-OD2 2.97Å; H880-D884 IonicContact ND1-OD2 2.69Å; H880-D884 PolarHBondContact ND1-OD2 3.5Å; H880-D884 VanDerWaalsContact O-CB 3.31Å; H880-D884 WeakPolarHBondContact O-CB 3.48Å; H880-D884 PolarHBondContact O-N 3.25Å
885I92.4Very high92.3Very high50 Ų5044 Ų4426%0.25622%0.224SC..Iπ-helixtrans-121.1-57.1-178.4-45.7-176.9000111.7F881 H889 M907F881-I885 HydrophobicContact CD2-CB 4.35Å; F881-I885 HydrophobicContact CD2-CD1 4.12Å; F881-I885 CarbonylContact O-C 3.48Å; F881-I885 WeakPolarHBondContact O-CA 3.42Å; F881-I885 WeakPolarHBondContact O-CB 3.46Å; F881-I885 PolarHBondContact O-N 2.62Å; F881-I885 VanDerWaalsContact O-N 3.17Å; I885-H889 PolarHBondContact O-N 2.96Å; I885-H889 PolarHBondContact O-ND1 3.09Å; I885-M907 HydrophobicContact CB-CE 4.38Å; I885-M907 HydrophobicContact CG2-CE 3.75Å; I885-M907 HydrophobicContact CG2-SD 4.07Å
886L92.2Very high92.2Very high0 Ų047.5 Ų47.50%024%0.243CC..Iπ-helixtrans-66.1-58.6-172.2-158.7166.8000112.1E826 F881 H882 H889 L890 W903 M907 L911 Y993E826-L886 HydrophobicContact CG-CD2 3.98Å; F881-L886 HydrophobicContact CD1-CD1 4.48Å; F881-L886 HydrophobicContact CE1-CB 4.41Å; F881-L886 HydrophobicContact CE1-CD1 3.93Å; F881-L886 PolarHBondContact O-N 3.22Å; H882-L886 WeakPolarHBondContact ND1-CD1 3.31Å; L886-H889 PolarHBondContact O-N 2.67Å; L886-L890 HydrophobicContact CD2-CB 4.38Å; L886-L890 HydrophobicContact CD2-CD2 4.35Å; L886-L890 WeakPolarHBondContact O-CB 3.47Å; L886-L890 PolarHBondContact O-N 2.93Å; L886-W903 HydrophobicContact CD2-CH2 3.98Å; L886-W903 HydrophobicContact CD2-CZ2 3.57Å; L886-W903 HydrophobicContact CG-CH2 4.36Å; L886-W903 HydrophobicContact CG-CZ2 3.73Å; L886-M907 HydrophobicContact CB-CE 3.96Å; L886-M907 HydrophobicContact CG-CE 4.11Å; L886-L911 HydrophobicContact CD1-CD2 4.42Å; L886-Y993 HydrophobicContact CD1-CE2 4.49Å; L886-Y993 WeakPolarHBondContact CD1-OH 3.45Å
887L94Very high92.1Very high24 Ų2446 Ų4613%0.12623%0.234CC..Hα-helixtrans-59.9-44.2-175.7175.762.7000113.5E826 K827 V830 H882 L890 I891E826-L887 HydrophobicContact CB-CD1 4.13Å; E826-L887 HydrophobicContact CG-CB 4.14Å; E826-L887 HydrophobicContact CG-CD1 4Å; K827-L887 HydrophobicContact CG-CD1 3.82Å; K827-L887 HydrophobicContact CG-CD2 4.11Å; V830-L887 HydrophobicContact CB-CD2 4.46Å; V830-L887 HydrophobicContact CG2-CB 4.42Å; V830-L887 HydrophobicContact CG2-CD2 4.19Å; H882-L887 VanDerWaalsContact O-CB 3.31Å; H882-L887 WeakPolarHBondContact O-CB 3.01Å; H882-L887 PolarHBondContact O-N 3.46Å; L887-L890 PolarHBondContact O-N 3.27Å; L887-I891 HydrophobicContact CD1-CD1 3.87Å; L887-I891 HydrophobicContact CD1-CG1 4.21Å; L887-I891 HydrophobicContact CG-CD1 4.05Å; L887-I891 VanDerWaalsContact O-CG1 3.32Å; L887-I891 WeakPolarHBondContact O-CG1 3.34Å; L887-I891 PolarHBondContact O-N 2.87Å
888P92.9Very high92Very high61 Ų6143.7 Ų43.740%0.39623%0.226SC..Hα-helixtrans-60.6-46.5176.5-26.936.8000113.8R883 I891 Q892R883-P888 WeakPolarHBondContact O-CD 3.42Å; P888-I891 PolarHBondContact O-N 3.01Å; P888-Q892 PolarHBondContact O-N 3.41Å
889H89.4Confident91.8Very high71 Ų7148.8 Ų48.833%0.32925%0.248SC..Hα-helixtrans-68.8-36.3179.1-71.695.5000112.3I885 L886 I891 Q892 C893 W903I885-H889 PolarHBondContact O-N 2.96Å; I885-H889 PolarHBondContact O-ND1 3.09Å; L886-H889 PolarHBondContact O-N 2.67Å; H889-I891 VanDerWaalsContact C-N 3.32Å; H889-I891 PolarHBondContact O-N 3.41Å; H889-Q892 WeakPolarHBondContact O-CB 3.42Å; H889-Q892 PolarHBondContact O-N 3.3Å; H889-Q892 VanDerWaalsContact O-N 3.15Å; H889-C893 PolarHBondContact O-N 3.16Å; H889-C893 PolarHBondContact O-SG 2.98Å; H889-W903 VanDerWaalsContact CB-CD1 3.48Å; H889-W903 VanDerWaalsContact CB-NE1 3.35Å
890L91Very high91.7Very high0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-60.8-42.5174.2-175.869.4000111W819 L822 V823 E826 L886 L887 C893 L900 W903W819-L890 HydrophobicContact CH2-CD1 3.79Å; W819-L890 HydrophobicContact CH2-CG 4.31Å; W819-L890 WeakPolarHBondContact CH2-O 3.5Å; W819-L890 WeakPolarHBondContact CZ2-O 3.41Å; W819-L890 HydrophobicContact CZ3-CD1 4.17Å; L822-L890 HydrophobicContact CD2-CD1 4Å; L822-L890 HydrophobicContact CG-CD1 4.15Å; L822-L890 HydrophobicContact CG-CD2 4.24Å; V823-L890 HydrophobicContact CG2-CD2 4.15Å; V823-L890 HydrophobicContact CG2-CG 4.1Å; E826-L890 HydrophobicContact CB-CD2 3.97Å; E826-L890 HydrophobicContact CG-CD2 4.14Å; L886-L890 HydrophobicContact CD2-CB 4.38Å; L886-L890 HydrophobicContact CD2-CD2 4.35Å; L886-L890 WeakPolarHBondContact O-CB 3.47Å; L886-L890 PolarHBondContact O-N 2.93Å; L887-L890 PolarHBondContact O-N 3.27Å; L890-C893 WeakPolarHBondContact O-CB 3.35Å; L890-C893 PolarHBondContact O-N 2.93Å; L890-L900 HydrophobicContact CD1-CD1 4.05Å; L890-W903 HydrophobicContact CB-CZ2 4.31Å; L890-W903 HydrophobicContact CD1-CH2 4.04Å; L890-W903 HydrophobicContact CD1-CZ2 4.34Å; L890-W903 HydrophobicContact CD1-CZ3 4.37Å
891I92.5Very high91.6Very high88 Ų8847.6 Ų47.645%0.45124%0.242SC..Hα-helixtrans-62.1-43.6173-68.4165.1000110.9V823 L887 P888 H889 C893 N894V823-I891 HydrophobicContact CG1-CG1 4.28Å; L887-I891 HydrophobicContact CD1-CD1 3.87Å; L887-I891 HydrophobicContact CD1-CG1 4.21Å; L887-I891 HydrophobicContact CG-CD1 4.05Å; L887-I891 VanDerWaalsContact O-CG1 3.32Å; L887-I891 WeakPolarHBondContact O-CG1 3.34Å; L887-I891 PolarHBondContact O-N 2.87Å; P888-I891 PolarHBondContact O-N 3.01Å; H889-I891 VanDerWaalsContact C-N 3.32Å; H889-I891 PolarHBondContact O-N 3.41Å; I891-C893 VanDerWaalsContact C-N 3.27Å; I891-C893 PolarHBondContact O-N 3.18Å; I891-N894 PolarHBondContact O-N 2.71Å; I891-N894 VanDerWaalsContact O-N 3.12Å
892Q89.8Confident91.3Very high131 Ų13151.9 Ų51.961%0.61227%0.265SS*.Hα-helixtrans-65.1-24.8179.7-163.4-172.320.400114.2P888 H889 N894 K899P888-Q892 PolarHBondContact O-N 3.41Å; H889-Q892 WeakPolarHBondContact O-CB 3.42Å; H889-Q892 PolarHBondContact O-N 3.3Å; H889-Q892 VanDerWaalsContact O-N 3.15Å; Q892-N894 VanDerWaalsContact C-N 3.31Å; Q892-K899 PolarHBondContact O-NZ 3.47Å
893C90.2Very high90.9Very high8 Ų852.9 Ų52.95%0.05427%0.269CS..Hα-helixtrans-66.1-32.7173.2-69.50000112.4W819 H889 L890 I891 G895 N896 K899W819-C893 HydrophobicContact CH2-CB 3.8Å; W819-C893 HydrophobicContact CZ2-CB 4.35Å; H889-C893 PolarHBondContact O-N 3.16Å; H889-C893 PolarHBondContact O-SG 2.98Å; L890-C893 WeakPolarHBondContact O-CB 3.35Å; L890-C893 PolarHBondContact O-N 2.93Å; I891-C893 VanDerWaalsContact C-N 3.27Å; I891-C893 PolarHBondContact O-N 3.18Å; C893-G895 VanDerWaalsContact C-N 3.25Å; C893-G895 PolarHBondContact O-N 3.37Å; C893-G895 VanDerWaalsContact O-N 3.14Å; C893-N896 WeakPolarHBondContact O-CB 3.32Å; C893-N896 PolarHBondContact O-N 3.1Å; C893-K899 HydrophobicContact CB-CB 4.25Å
894N88.7Confident90.7Very high130 Ų13048.6 Ų48.670%0.69525%0.253SS*.THydrogen-bonded Turntrans45.443.1174.8-164.737000114.7I891 Q892 N896I891-N894 PolarHBondContact O-N 2.71Å; I891-N894 VanDerWaalsContact O-N 3.12Å; Q892-N894 VanDerWaalsContact C-N 3.31Å; N894-N896 VanDerWaalsContact C-N 3.31Å; N894-N896 PolarHBondContact O-N 3.47Å
895G83.5Confident90.4Very high15 Ų1548.9 Ų48.916%0.15526%0.26CS..THydrogen-bonded Turntrans78.61.217700000116Y815 C893Y815-G895 WeakPolarHBondContact CE1-O 3.49Å; Y815-G895 PolarHBondContact OH-O 3.37Å; C893-G895 VanDerWaalsContact C-N 3.25Å; C893-G895 PolarHBondContact O-N 3.37Å; C893-G895 VanDerWaalsContact O-N 3.14Å
896N90.9Very high90.2Very high74 Ų7452.4 Ų52.440%0.39628%0.276SS..  trans-78.9124.9176.7177.2-97000111.7C893 N894 G898 K899 L900C893-N896 WeakPolarHBondContact O-CB 3.32Å; C893-N896 PolarHBondContact O-N 3.1Å; N894-N896 VanDerWaalsContact C-N 3.31Å; N894-N896 PolarHBondContact O-N 3.47Å; N896-G898 PolarHBondContact OD1-N 3.43Å; N896-K899 HydrophobicContact CB-CB 4.29Å; N896-K899 HydrophobicContact CB-CD 4.27Å; N896-K899 HydrophobicContact CB-CG 4.36Å; N896-K899 WeakPolarHBondContact OD1-CG 3.48Å; N896-K899 PolarHBondContact OD1-N 2.96Å; N896-L900 WeakPolarHBondContact O-CB 3.3Å; N896-L900 PolarHBondContact O-N 3.14Å; N896-L900 VanDerWaalsContact O-N 3.08Å
897A90.8Very high90.1Very high1 Ų153 Ų531%0.00828%0.279CS..Hα-helixtrans-63.9-47.1-175.500000113.7K899 L900 K901 D1009 D1012 L1013A897-K899 PolarHBondContact O-N 3.31Å; A897-L900 CarbonylContact O-C 3.58Å; A897-L900 WeakPolarHBondContact O-CB 3.49Å; A897-L900 PolarHBondContact O-N 2.68Å; A897-K901 PolarHBondContact O-N 3.06Å; A897-D1009 HydrophobicContact CB-CB 3.62Å; A897-D1009 WeakPolarHBondContact CB-O 3.44Å; A897-D1009 WeakPolarHBondContact CB-OD1 3.36Å; A897-D1012 HydrophobicContact CB-CB 4.13Å; A897-L1013 HydrophobicContact CB-CD1 4.2Å; A897-L1013 HydrophobicContact CB-CD2 4.01Å; A897-L1013 HydrophobicContact CB-CG 3.69Å
898G88.9Confident90Very high14 Ų1453.2 Ų53.214%0.14428%0.281CS..Hα-helixtrans-61.4-41.4-179.600000113N896 K901 N902 D1012N896-G898 PolarHBondContact OD1-N 3.43Å; G898-K901 PolarHBondContact O-N 3.46Å; G898-N902 VanDerWaalsContact O-CG 3.3Å; G898-N902 PolarHBondContact O-N 3.01Å; G898-D1012 VanDerWaalsContact CA-OD2 3.29Å; G898-D1012 WeakPolarHBondContact CA-OD2 3.03Å
899K91Very high89.9Confident107 Ų10752.8 Ų52.847%0.46528%0.278SS..Hα-helixtrans-59.3-46.9169.5-76.1-174.3178.9-178.10111.7Q892 C893 N896 A897 K901 N902 W903Q892-K899 PolarHBondContact O-NZ 3.47Å; C893-K899 HydrophobicContact CB-CB 4.25Å; N896-K899 HydrophobicContact CB-CB 4.29Å; N896-K899 HydrophobicContact CB-CD 4.27Å; N896-K899 HydrophobicContact CB-CG 4.36Å; N896-K899 WeakPolarHBondContact OD1-CG 3.48Å; N896-K899 PolarHBondContact OD1-N 2.96Å; A897-K899 PolarHBondContact O-N 3.31Å; K899-K901 PolarHBondContact O-N 3.46Å; K899-N902 PolarHBondContact O-N 2.99Å; K899-W903 VanDerWaalsContact O-CB 3.26Å; K899-W903 WeakPolarHBondContact O-CB 3.44Å; K899-W903 PolarHBondContact O-N 3.28Å
900L92.1Very high90.1Very high0 Ų054.2 Ų54.20%028%0.282CS..Hα-helixtrans-63.8-39-178.4-167.466.2000112.1W819 L890 N896 A897 W903 V904 L997 L1000 L1013W819-L900 HydrophobicContact CH2-CD1 4.25Å; W819-L900 HydrophobicContact CZ3-CD1 3.95Å; W819-L900 HydrophobicContact CZ3-CD2 4.02Å; L890-L900 HydrophobicContact CD1-CD1 4.05Å; N896-L900 WeakPolarHBondContact O-CB 3.3Å; N896-L900 PolarHBondContact O-N 3.14Å; N896-L900 VanDerWaalsContact O-N 3.08Å; A897-L900 CarbonylContact O-C 3.58Å; A897-L900 WeakPolarHBondContact O-CB 3.49Å; A897-L900 PolarHBondContact O-N 2.68Å; L900-W903 HydrophobicContact CD1-CD2 4.46Å; L900-W903 HydrophobicContact CD1-CE3 3.6Å; L900-W903 HydrophobicContact CD1-CZ3 3.79Å; L900-W903 HydrophobicContact CG-CE3 4.44Å; L900-V904 WeakPolarHBondContact O-CG2 3.31Å; L900-V904 PolarHBondContact O-N 3.07Å; L900-L997 HydrophobicContact CD2-CD2 3.58Å; L900-L997 HydrophobicContact CG-CD2 4.26Å; L900-L1000 HydrophobicContact CD2-CD1 4.05Å; L900-L1013 HydrophobicContact CD2-CD2 3.79Å
901K93.1Very high90.2Very high57 Ų5754.4 Ų54.425%0.24828%0.283CS..Hα-helixtrans-61.6-49.6172.8167.7178.2170.8170.90112.5A897 G898 K899 W903 V904 S905 D1012A897-K901 PolarHBondContact O-N 3.06Å; G898-K901 PolarHBondContact O-N 3.46Å; K899-K901 PolarHBondContact O-N 3.46Å; K901-W903 VanDerWaalsContact C-N 3.31Å; K901-W903 PolarHBondContact O-N 3.15Å; K901-V904 PolarHBondContact O-N 3.33Å; K901-S905 WeakPolarHBondContact O-CB 3.22Å; K901-S905 PolarHBondContact O-N 3.39Å; K901-S905 PolarHBondContact O-OG 2.7Å; K901-D1012 HydrophobicContact CB-CB 4.22Å; K901-D1012 HydrophobicContact CD-CB 3.73Å; K901-D1012 WeakPolarHBondContact CD-OD1 3.33Å; K901-D1012 WeakPolarHBondContact CE-OD1 3.42Å; K901-D1012 IonicContact NZ-OD1 3.72Å; K901-D1012 PolarHBondContact NZ-OD1 2.84Å
902N88.8Confident90.2Very high97 Ų9750.5 Ų50.552%0.51926%0.263SS..Hα-helixtrans-62.9-42.2179.3-69.3-8.8000110.6G898 K899 S905 Q906G898-N902 VanDerWaalsContact O-CG 3.3Å; G898-N902 PolarHBondContact O-N 3.01Å; K899-N902 PolarHBondContact O-N 2.99Å; N902-S905 WeakPolarHBondContact O-CB 3.27Å; N902-S905 PolarHBondContact O-N 3.48Å; N902-Q906 WeakPolarHBondContact O-CG 3.38Å; N902-Q906 PolarHBondContact O-N 2.85Å
903W87.9Confident90.4Very high21 Ų2145.2 Ų45.28%0.0824%0.239CC..Hα-helixtrans-62.6-47.1174.9170.582.8000113L886 H889 L890 K899 L900 K901 S905 Q906 M907L886-W903 HydrophobicContact CD2-CH2 3.98Å; L886-W903 HydrophobicContact CD2-CZ2 3.57Å; L886-W903 HydrophobicContact CG-CH2 4.36Å; L886-W903 HydrophobicContact CG-CZ2 3.73Å; H889-W903 VanDerWaalsContact CB-CD1 3.48Å; H889-W903 VanDerWaalsContact CB-NE1 3.35Å; L890-W903 HydrophobicContact CB-CZ2 4.31Å; L890-W903 HydrophobicContact CD1-CH2 4.04Å; L890-W903 HydrophobicContact CD1-CZ2 4.34Å; L890-W903 HydrophobicContact CD1-CZ3 4.37Å; K899-W903 VanDerWaalsContact O-CB 3.26Å; K899-W903 WeakPolarHBondContact O-CB 3.44Å; K899-W903 PolarHBondContact O-N 3.28Å; L900-W903 HydrophobicContact CD1-CD2 4.46Å; L900-W903 HydrophobicContact CD1-CE3 3.6Å; L900-W903 HydrophobicContact CD1-CZ3 3.79Å; L900-W903 HydrophobicContact CG-CE3 4.44Å; K901-W903 VanDerWaalsContact C-N 3.31Å; K901-W903 PolarHBondContact O-N 3.15Å; W903-S905 VanDerWaalsContact C-N 3.26Å; W903-S905 PolarHBondContact O-N 2.67Å; W903-Q906 PolarHBondContact O-N 3.05Å; W903-Q906 VanDerWaalsContact O-N 3.15Å; W903-M907 HydrophobicContact CD2-CG 4.27Å; W903-M907 HydrophobicContact CG-CG 4.23Å; W903-M907 WeakPolarHBondContact O-CB 3.21Å; W903-M907 WeakPolarHBondContact O-CG 3.32Å; W903-M907 PolarHBondContact O-N 3.4Å
904V91.3Very high90.5Very high2 Ų245.4 Ų45.41%0.01224%0.239CC..Hα-helixtrans-56.7-44.2173.5164.30000110.3L900 K901 Q906 M907 V908 L997 A1016 A1019 I1020L900-V904 WeakPolarHBondContact O-CG2 3.31Å; L900-V904 PolarHBondContact O-N 3.07Å; K901-V904 PolarHBondContact O-N 3.33Å; V904-Q906 VanDerWaalsContact C-N 3.28Å; V904-Q906 PolarHBondContact O-N 2.66Å; V904-M907 PolarHBondContact O-N 3.07Å; V904-V908 HydrophobicContact CG1-CG2 3.87Å; V904-V908 WeakPolarHBondContact O-CB 3.33Å; V904-V908 VanDerWaalsContact O-CG2 3.25Å; V904-V908 WeakPolarHBondContact O-CG2 3.43Å; V904-V908 PolarHBondContact O-N 3.39Å; V904-L997 HydrophobicContact CG2-CD1 4.36Å; V904-A1016 HydrophobicContact CB-CB 4.27Å; V904-A1016 HydrophobicContact CG1-CB 4.49Å; V904-A1016 HydrophobicContact CG2-CB 4.05Å; V904-A1019 HydrophobicContact CG1-CB 3.75Å; V904-I1020 HydrophobicContact CG1-CD1 3.81Å; V904-I1020 HydrophobicContact CG1-CG1 3.98Å; V904-I1020 HydrophobicContact CG2-CD1 4.33Å; V904-I1020 HydrophobicContact CG2-CG1 4.36Å
905S88.2Confident90.8Very high75 Ų7539.2 Ų39.252%0.52421%0.206SC..Hα-helixtrans-62.2-33.7180-530000112.8K901 N902 W903K901-S905 WeakPolarHBondContact O-CB 3.22Å; K901-S905 PolarHBondContact O-N 3.39Å; K901-S905 PolarHBondContact O-OG 2.7Å; N902-S905 WeakPolarHBondContact O-CB 3.27Å; N902-S905 PolarHBondContact O-N 3.48Å; W903-S905 VanDerWaalsContact C-N 3.26Å; W903-S905 PolarHBondContact O-N 2.67Å
906Q87.5Confident91.2Very high125 Ų12538.5 Ų38.558%0.58420%0.199SC*.Hα-helixtrans-78.6-33.6174.9-71.1169.9-13.700113.1N902 W903 V904 Y910N902-Q906 WeakPolarHBondContact O-CG 3.38Å; N902-Q906 PolarHBondContact O-N 2.85Å; W903-Q906 PolarHBondContact O-N 3.05Å; W903-Q906 VanDerWaalsContact O-N 3.15Å; V904-Q906 VanDerWaalsContact C-N 3.28Å; V904-Q906 PolarHBondContact O-N 2.66Å; Q906-Y910 WeakPolarHBondContact O-CD2 3.26Å; Q906-Y910 WeakPolarHBondContact O-CE2 3.47Å
907M89.6Confident91.1Very high11 Ų1136.1 Ų36.15%0.05419%0.186CC..Hα-helixtrans-92.1-22.7-170.6-66.9-67.2-8900114.4F881 I885 L886 W903 V904 Y910 L911F881-M907 HydrophobicContact CE1-CE 4.08Å; F881-M907 HydrophobicContact CE2-CE 3.57Å; F881-M907 HydrophobicContact CE2-SD 4.07Å; F881-M907 HydrophobicContact CZ-CE 3.3Å; F881-M907 HydrophobicContact CZ-SD 4.04Å; I885-M907 HydrophobicContact CB-CE 4.38Å; I885-M907 HydrophobicContact CG2-CE 3.75Å; I885-M907 HydrophobicContact CG2-SD 4.07Å; L886-M907 HydrophobicContact CB-CE 3.96Å; L886-M907 HydrophobicContact CG-CE 4.11Å; W903-M907 HydrophobicContact CD2-CG 4.27Å; W903-M907 HydrophobicContact CG-CG 4.23Å; W903-M907 WeakPolarHBondContact O-CB 3.21Å; W903-M907 WeakPolarHBondContact O-CG 3.32Å; W903-M907 PolarHBondContact O-N 3.4Å; V904-M907 PolarHBondContact O-N 3.07Å; M907-Y910 PolarHBondContact O-N 2.75Å; M907-L911 HydrophobicContact CB-CD1 4.49Å; M907-L911 PolarHBondContact O-N 2.88Å; M907-L911 VanDerWaalsContact O-N 3.08Å
908V92.5Very high91.1Very high29 Ų2936.1 Ų36.118%0.17619%0.185CC..Hα-helixtrans-51.3-46.5178.1155.20000113.3V904 Y910 L911 V912 A1019 I1020 L1023V904-V908 HydrophobicContact CG1-CG2 3.87Å; V904-V908 WeakPolarHBondContact O-CB 3.33Å; V904-V908 VanDerWaalsContact O-CG2 3.25Å; V904-V908 WeakPolarHBondContact O-CG2 3.43Å; V904-V908 PolarHBondContact O-N 3.39Å; V908-Y910 PolarHBondContact O-N 2.69Å; V908-L911 PolarHBondContact O-N 3.34Å; V908-V912 HydrophobicContact CG1-CG2 4.31Å; V908-V912 WeakPolarHBondContact O-CG2 3.46Å; V908-V912 PolarHBondContact O-N 2.96Å; V908-A1019 HydrophobicContact CG2-CB 4.36Å; V908-I1020 HydrophobicContact CG2-CD1 4.02Å; V908-L1023 HydrophobicContact CB-CD1 4.19Å; V908-L1023 HydrophobicContact CG1-CB 4.4Å; V908-L1023 HydrophobicContact CG1-CD1 4.22Å; V908-L1023 HydrophobicContact CG2-CB 4.43Å; V908-L1023 HydrophobicContact CG2-CD1 3.84Å
909P91.1Very high91.2Very high52 Ų5235.5 Ų35.534%0.33818%0.179SC..Hα-helixtrans-56.9-47.9178.3-27.736.7000113.7V912 D913 S1041P909-V912 PolarHBondContact O-N 3.36Å; P909-D913 PolarHBondContact O-N 3.45Å; P909-D913 VanDerWaalsContact O-N 3.08Å; P909-S1041 WeakPolarHBondContact O-CB 3.3Å
910Y92.5Very high91Very high102 Ų10231.3 Ų31.340%0.416%0.163SC..Hα-helixtrans-65.4-42.1-179.7-59.1-84.8000112.1F881 Q906 M907 V908 D913 L914F881-Y910 HydrophobicContact CE2-CD2 4.48Å; F881-Y910 AromaticContact CE2-CG 3.95Å; F881-Y910 HydrophobicContact CE2-CG 3.95Å; Q906-Y910 WeakPolarHBondContact O-CD2 3.26Å; Q906-Y910 WeakPolarHBondContact O-CE2 3.47Å; M907-Y910 PolarHBondContact O-N 2.75Å; V908-Y910 PolarHBondContact O-N 2.69Å; Y910-D913 PolarHBondContact O-N 3.09Å; Y910-L914 WeakPolarHBondContact O-CB 3.48Å; Y910-L914 VanDerWaalsContact O-CG 3.3Å; Y910-L914 WeakPolarHBondContact O-CG 3.45Å; Y910-L914 PolarHBondContact O-N 3.33Å
911L94.1Very high90.6Very high4 Ų434.8 Ų34.82%0.02118%0.182CC..Hα-helixtrans-63.2-41.7175-75.5166000111.7F881 L886 M907 V908 D913 Y915 L1023F881-L911 HydrophobicContact CD1-CD2 4.48Å; F881-L911 HydrophobicContact CE1-CD2 3.58Å; F881-L911 HydrophobicContact CE1-CG 3.83Å; F881-L911 HydrophobicContact CZ-CD2 4.28Å; F881-L911 HydrophobicContact CZ-CG 4.02Å; L886-L911 HydrophobicContact CD1-CD2 4.42Å; M907-L911 HydrophobicContact CB-CD1 4.49Å; M907-L911 PolarHBondContact O-N 2.88Å; M907-L911 VanDerWaalsContact O-N 3.08Å; V908-L911 PolarHBondContact O-N 3.34Å; L911-D913 PolarHBondContact O-N 3.3Å; L911-Y915 HydrophobicContact CD2-CD2 3.91Å; L911-Y915 HydrophobicContact CD2-CE2 3.63Å; L911-Y915 WeakPolarHBondContact O-CB 3.48Å; L911-Y915 WeakPolarHBondContact O-CD2 3.32Å; L911-Y915 PolarHBondContact O-N 3.38Å; L911-L1023 HydrophobicContact CB-CD1 3.51Å; L911-L1023 HydrophobicContact CD1-CD1 3.98Å; L911-L1023 HydrophobicContact CG-CD1 4.4Å
912V92.8Very high90.3Very high6 Ų633.7 Ų33.74%0.03618%0.177CC..Hα-helixtrans-58.5-47.6175.7166.80000110.6V908 P909 T916 L1023 T1026 V1027 P1040V908-V912 HydrophobicContact CG1-CG2 4.31Å; V908-V912 WeakPolarHBondContact O-CG2 3.46Å; V908-V912 PolarHBondContact O-N 2.96Å; P909-V912 PolarHBondContact O-N 3.36Å; V912-T916 WeakPolarHBondContact O-CB 3.33Å; V912-T916 PolarHBondContact O-N 3.47Å; V912-T916 PolarHBondContact O-OG1 2.9Å; V912-L1023 HydrophobicContact CG2-CB 4.22Å; V912-L1023 HydrophobicContact CG2-CD1 4.09Å; V912-L1023 HydrophobicContact CG2-CG 3.76Å; V912-T1026 HydrophobicContact CG1-CG2 4.1Å; V912-V1027 HydrophobicContact CB-CG2 4.44Å; V912-V1027 HydrophobicContact CG2-CG2 4.33Å; V912-P1040 HydrophobicContact CG1-CB 3.96Å
913D92.3Very high89.9Confident19 Ų1931.9 Ų31.910%0.10217%0.168CC..Hα-helixtrans-66.5-49.7-179.4-72.6-27.1000112.3P909 Y910 L911 T916 I917 R1039 P1040 S1041P909-D913 PolarHBondContact O-N 3.45Å; P909-D913 VanDerWaalsContact O-N 3.08Å; Y910-D913 PolarHBondContact O-N 3.09Å; L911-D913 PolarHBondContact O-N 3.3Å; D913-T916 PolarHBondContact O-N 2.86Å; D913-I917 WeakPolarHBondContact O-CG1 3.43Å; D913-I917 PolarHBondContact O-N 3.22Å; D913-I917 VanDerWaalsContact O-N 3.15Å; D913-R1039 WeakPolarHBondContact OD2-CD 3.29Å; D913-P1040 WeakPolarHBondContact OD1-CB 3.32Å; D913-P1040 WeakPolarHBondContact OD1-CD 3.35Å; D913-P1040 VanDerWaalsContact OD1-N 3.15Å; D913-S1041 VanDerWaalsContact CG-OG 3.22Å; D913-S1041 WeakPolarHBondContact OD1-CB 3.16Å; D913-S1041 PolarHBondContact OD1-N 3.02Å; D913-S1041 PolarHBondContact OD1-OG 3.2Å; D913-S1041 WeakPolarHBondContact OD2-CB 3.46Å; D913-S1041 PolarHBondContact OD2-OG 3.13Å
914L93.9Very high89.5Confident12 Ų1234.4 Ų34.46%0.06319%0.188CC..Hα-helixtrans-63.1-45.9-177.8-71.9169.7000112.8N874 E877 L878 F881 Y910 I917 Y918N874-L914 PolarHBondContact ND2-O 3.15Å; E877-L914 HydrophobicContact CB-CD2 3.73Å; L878-L914 HydrophobicContact CD2-CB 4.01Å; F881-L914 HydrophobicContact CB-CD1 3.54Å; F881-L914 HydrophobicContact CD1-CD1 3.61Å; F881-L914 HydrophobicContact CD2-CD1 3.83Å; F881-L914 HydrophobicContact CE1-CD1 4.22Å; F881-L914 HydrophobicContact CE2-CD1 4.44Å; F881-L914 HydrophobicContact CG-CD1 3.37Å; Y910-L914 WeakPolarHBondContact O-CB 3.48Å; Y910-L914 VanDerWaalsContact O-CG 3.3Å; Y910-L914 WeakPolarHBondContact O-CG 3.45Å; Y910-L914 PolarHBondContact O-N 3.33Å; L914-I917 PolarHBondContact O-N 3.43Å; L914-Y918 PolarHBondContact O-N 3.04Å
915Y94.8Very high89.2Confident0 Ų034.3 Ų34.30%019%0.187CC..Hα-helixtrans-79.9-26.6-178.7-77-80.6000113Y829 L878 H882 L911 I917 Y918 C919 P986 F990Y829-Y915 PolarHBondContact OH-OH 3.41Å; L878-Y915 HydrophobicContact CD2-CD2 4.31Å; L878-Y915 HydrophobicContact CD2-CE1 4.06Å; L878-Y915 HydrophobicContact CD2-CE2 3.8Å; H882-Y915 PolarHBondContact CE1-OH 2.95Å; H882-Y915 AromaticContact NE2-CE2 3.59Å; H882-Y915 AromaticContact NE2-CZ 3.63Å; H882-Y915 PolarHBondContact NE2-OH 2.76Å; L911-Y915 HydrophobicContact CD2-CD2 3.91Å; L911-Y915 HydrophobicContact CD2-CE2 3.63Å; L911-Y915 WeakPolarHBondContact O-CB 3.48Å; L911-Y915 WeakPolarHBondContact O-CD2 3.32Å; L911-Y915 PolarHBondContact O-N 3.38Å; Y915-I917 VanDerWaalsContact C-N 3.31Å; Y915-I917 PolarHBondContact O-N 3.15Å; Y915-Y918 PolarHBondContact O-N 3.32Å; Y915-C919 VanDerWaalsContact O-CB 3.29Å; Y915-C919 WeakPolarHBondContact O-CB 3.28Å; Y915-C919 PolarHBondContact O-N 3.31Å; Y915-C919 PolarHBondContact O-SG 2.63Å; Y915-P986 HydrophobicContact CE1-CB 3.97Å; Y915-P986 VanDerWaalsContact CE1-O 3.23Å; Y915-P986 WeakPolarHBondContact CE1-O 3.19Å; Y915-F990 HydrophobicContact CD1-CB 3.98Å; Y915-F990 AromaticContact CD1-CD1 3.36Å; Y915-F990 HydrophobicContact CD1-CD1 3.36Å; Y915-F990 HydrophobicContact CD1-CE1 4.06Å; Y915-F990 AromaticContact CD1-CG 3.88Å; Y915-F990 HydrophobicContact CD1-CG 3.88Å; Y915-F990 HydrophobicContact CD2-CB 3.98Å; Y915-F990 HydrophobicContact CD2-CG 4.4Å; Y915-F990 HydrophobicContact CE1-CB 3.92Å; Y915-F990 AromaticContact CE1-CD1 3.8Å; Y915-F990 HydrophobicContact CE1-CD1 3.8Å; Y915-F990 HydrophobicContact CE1-CG 4.24Å; Y915-F990 HydrophobicContact CE2-CB 3.93Å; Y915-F990 HydrophobicContact CG-CB 4.01Å; Y915-F990 AromaticContact CG-CD1 3.86Å; Y915-F990 HydrophobicContact CG-CD1 3.86Å; Y915-F990 AromaticContact CG-CG 3.96Å; Y915-F990 HydrophobicContact CG-CG 3.96Å
916T91.9Very high89.1Confident0 Ų032.4 Ų32.40%017%0.172CC..Hα-helixtrans-64.3-36.9169.4-64.30000111.6V912 D913 S920 A1030 P1040 R1263V912-T916 WeakPolarHBondContact O-CB 3.33Å; V912-T916 PolarHBondContact O-N 3.47Å; V912-T916 PolarHBondContact O-OG1 2.9Å; D913-T916 PolarHBondContact O-N 2.86Å; T916-S920 VanDerWaalsContact O-CB 3.22Å; T916-S920 WeakPolarHBondContact O-CB 3.47Å; T916-S920 PolarHBondContact O-N 3.07Å; T916-S920 PolarHBondContact O-OG 3.46Å; T916-S920 VanDerWaalsContact O-OG 3.11Å; T916-A1030 HydrophobicContact CG2-CB 3.71Å; T916-P1040 HydrophobicContact CG2-CB 3.9Å; T916-P1040 HydrophobicContact CG2-CG 3.52Å; T916-R1263 PolarHBondContact O-NH2 3.04Å; T916-R1263 VanDerWaalsContact O-NH2 3.09Å
917I88.2Confident88.9Confident24 Ų2429.6 Ų29.612%0.12316%0.159CC..Hα-helixtrans-66.9-55.4172.9-65.7165.4000109.7N874 D913 L914 Y915 C919 S920N874-I917 HydrophobicContact CB-CG2 4.07Å; D913-I917 WeakPolarHBondContact O-CG1 3.43Å; D913-I917 PolarHBondContact O-N 3.22Å; D913-I917 VanDerWaalsContact O-N 3.15Å; L914-I917 PolarHBondContact O-N 3.43Å; Y915-I917 VanDerWaalsContact C-N 3.31Å; Y915-I917 PolarHBondContact O-N 3.15Å; I917-C919 PolarHBondContact O-N 2.99Å; I917-S920 PolarHBondContact O-N 3.33Å; I917-S920 PolarHBondContact O-OG 2.84Å
918Y91.2Very high88.5Confident1 Ų129.2 Ų29.20%0.00416%0.157CC..Hα-helixtrans-56.5-52.6-176-168.9-92000112.1C873 N874 W875 L878 L914 Y915 S920 L921 H922 L983 P986 V987C873-Y918 HydrophobicContact CB-CD2 3.83Å; C873-Y918 HydrophobicContact CB-CE2 4.01Å; N874-Y918 WeakPolarHBondContact OD1-CA 3.4Å; N874-Y918 WeakPolarHBondContact OD1-CB 3.33Å; N874-Y918 PolarHBondContact OD1-N 3.46Å; W875-Y918 HydrophobicContact CE3-CE2 4.06Å; W875-Y918 HydrophobicContact CZ3-CE2 4.44Å; L878-Y918 HydrophobicContact CD1-CD2 3.44Å; L878-Y918 VanDerWaalsContact CD1-CD2 3.44Å; L878-Y918 HydrophobicContact CD1-CE2 4.02Å; L878-Y918 HydrophobicContact CD1-CG 3.89Å; L914-Y918 PolarHBondContact O-N 3.04Å; Y915-Y918 PolarHBondContact O-N 3.32Å; Y918-S920 VanDerWaalsContact C-N 3.3Å; Y918-S920 PolarHBondContact O-N 3.48Å; Y918-L921 PolarHBondContact O-N 3.06Å; Y918-L921 VanDerWaalsContact O-N 3.12Å; Y918-H922 HydrophobicContact CD1-CB 4.2Å; Y918-H922 HydrophobicContact CE1-CB 3.94Å; Y918-H922 PolarHBondContact O-N 3.43Å; Y918-L983 PolarHBondContact OH-O 3Å; Y918-P986 HydrophobicContact CD1-CB 4.07Å; Y918-P986 HydrophobicContact CE1-CB 3.77Å; Y918-P986 HydrophobicContact CE1-CG 3.98Å; Y918-P986 HydrophobicContact CE2-CB 4.48Å; Y918-P986 HydrophobicContact CE2-CG 4.23Å; Y918-V987 HydrophobicContact CD1-CG2 4.12Å; Y918-V987 HydrophobicContact CE1-CG2 3.97Å
919C90.7Very high88.2Confident1 Ų127.9 Ų27.91%0.00715%0.149CC..Hα-helixtrans-65.6-32.6-176.5-58.40000112.4Y915 I917 L921 H922 M1031Y915-C919 VanDerWaalsContact O-CB 3.29Å; Y915-C919 WeakPolarHBondContact O-CB 3.28Å; Y915-C919 PolarHBondContact O-N 3.31Å; Y915-C919 PolarHBondContact O-SG 2.63Å; I917-C919 PolarHBondContact O-N 2.99Å; C919-L921 PolarHBondContact O-N 3.08Å; C919-L921 VanDerWaalsContact O-N 3.13Å; C919-H922 PolarHBondContact O-N 3.37Å; C919-M1031 HydrophobicContact CB-CB 4.28Å; C919-M1031 HydrophobicContact CB-CE 3.44Å; C919-M1031 VanDerWaalsContact CB-CE 3.44Å; C919-M1031 HydrophobicContact CB-SD 3.66Å
920S85.7Confident87.9Confident20 Ų2026.6 Ų26.614%0.1414%0.143CC..Hα-helixtrans-67.6-9.8176.972.30000115.2T916 I917 Y918 R1034 R1263T916-S920 VanDerWaalsContact O-CB 3.22Å; T916-S920 WeakPolarHBondContact O-CB 3.47Å; T916-S920 PolarHBondContact O-N 3.07Å; T916-S920 PolarHBondContact O-OG 3.46Å; T916-S920 VanDerWaalsContact O-OG 3.11Å; I917-S920 PolarHBondContact O-N 3.33Å; I917-S920 PolarHBondContact O-OG 2.84Å; Y918-S920 VanDerWaalsContact C-N 3.3Å; Y918-S920 PolarHBondContact O-N 3.48Å; S920-R1034 PolarHBondContact O-NH2 3.33Å; S920-R1263 PolarHBondContact OG-NH2 3.28Å
921L85.1Confident87.4Confident73 Ų7322.7 Ų22.738%0.38213%0.132SC..Hα-helixtrans-121.9-14.6179.8-62.8176.3000113.1C873 Y918 C919 D923 C924 A925C873-L921 HydrophobicContact CB-CB 4.29Å; C873-L921 HydrophobicContact CB-CD1 4.31Å; C873-L921 WeakPolarHBondContact SG-CB 3.42Å; Y918-L921 PolarHBondContact O-N 3.06Å; Y918-L921 VanDerWaalsContact O-N 3.12Å; C919-L921 PolarHBondContact O-N 3.08Å; C919-L921 VanDerWaalsContact O-N 3.13Å; L921-D923 VanDerWaalsContact C-N 3.32Å; L921-D923 PolarHBondContact O-N 2.91Å; L921-C924 WeakPolarHBondContact O-CB 3.48Å; L921-C924 PolarHBondContact O-N 3.41Å; L921-C924 VanDerWaalsContact O-N 3.07Å; L921-A925 PolarHBondContact O-N 3.42Å; L921-A925 VanDerWaalsContact O-N 3.1Å
922H86.2Confident86.9Confident34 Ų3422.5 Ų22.516%0.15713%0.131CC..Hα-helixtrans-60.7-36.9-168.699.563.9000113Y918 C919 C924 A925 V926 V987Y918-H922 HydrophobicContact CD1-CB 4.2Å; Y918-H922 HydrophobicContact CE1-CB 3.94Å; Y918-H922 PolarHBondContact O-N 3.43Å; C919-H922 PolarHBondContact O-N 3.37Å; H922-C924 VanDerWaalsContact C-N 3.31Å; H922-C924 PolarHBondContact O-N 3.36Å; H922-A925 PolarHBondContact O-N 3.3Å; H922-V926 WeakPolarHBondContact O-CB 3.44Å; H922-V926 VanDerWaalsContact O-CG2 3.27Å; H922-V926 WeakPolarHBondContact O-CG2 3.46Å; H922-V926 PolarHBondContact O-N 3.13Å; H922-V987 HydrophobicContact CB-CG2 4.48Å
923D80.8Confident86.6Confident59 Ų5924 Ų2432%0.31614%0.137SC..Hα-helixtrans-64.1-38.9178.8-72-59.4000111.7L921 Q927 L1167L921-D923 VanDerWaalsContact C-N 3.32Å; L921-D923 PolarHBondContact O-N 2.91Å; D923-Q927 VanDerWaalsContact O-CB 3.27Å; D923-Q927 WeakPolarHBondContact O-CB 3.38Å; D923-Q927 WeakPolarHBondContact O-CG 3.47Å; D923-Q927 PolarHBondContact O-N 2.69Å; D923-Q927 PolarHBondContact O-NE2 2.85Å; D923-L1167 VanDerWaalsContact OD2-CD1 3.23Å; D923-L1167 WeakPolarHBondContact OD2-CD1 3.4Å
924C79Confident86Confident74 Ų7431.5 Ų31.550%0.517%0.169SC..Hα-helixtrans-66.7-40.2175.8-62.80000111L921 H922 L928L921-C924 WeakPolarHBondContact O-CB 3.48Å; L921-C924 PolarHBondContact O-N 3.41Å; L921-C924 VanDerWaalsContact O-N 3.07Å; H922-C924 VanDerWaalsContact C-N 3.31Å; H922-C924 PolarHBondContact O-N 3.36Å; C924-L928 VanDerWaalsContact O-CB 3.24Å; C924-L928 WeakPolarHBondContact O-CB 3.45Å; C924-L928 PolarHBondContact O-N 2.71Å
925A85Confident85.4Confident0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-67.7-42.8177.100000112.6L921 H922 L928 G929 L983L921-A925 PolarHBondContact O-N 3.42Å; L921-A925 VanDerWaalsContact O-N 3.1Å; H922-A925 PolarHBondContact O-N 3.3Å; A925-L928 PolarHBondContact O-N 2.83Å; A925-G929 PolarHBondContact O-N 3.2Å; A925-L983 HydrophobicContact CB-CD1 4.16Å; A925-L983 VanDerWaalsContact O-CD1 3.32Å; A925-L983 WeakPolarHBondContact O-CD1 3.47Å
926V86.2Confident84.2Confident35 Ų3542.5 Ų42.521%0.21221%0.212CC..Hα-helixtrans-65.5-44175.8170.60000110.9H922 L928 G929 A930 L983 V984H922-V926 WeakPolarHBondContact O-CB 3.44Å; H922-V926 VanDerWaalsContact O-CG2 3.27Å; H922-V926 WeakPolarHBondContact O-CG2 3.46Å; H922-V926 PolarHBondContact O-N 3.13Å; V926-L928 VanDerWaalsContact C-N 3.35Å; V926-G929 PolarHBondContact O-N 3.44Å; V926-A930 VanDerWaalsContact O-CB 3.31Å; V926-A930 WeakPolarHBondContact O-CB 3.37Å; V926-A930 PolarHBondContact O-N 3.49Å; V926-L983 HydrophobicContact CG2-CB 3.87Å; V926-V984 HydrophobicContact CG2-CG2 4.26Å
927Q82.6Confident83.1Confident66 Ų6646.5 Ų46.531%0.30823%0.233SC..Hα-helixtrans-64.5-38.1175.1-70.9171.54200111.9D923 A931 F1164D923-Q927 VanDerWaalsContact O-CB 3.27Å; D923-Q927 WeakPolarHBondContact O-CB 3.38Å; D923-Q927 WeakPolarHBondContact O-CG 3.47Å; D923-Q927 PolarHBondContact O-N 2.69Å; D923-Q927 PolarHBondContact O-NE2 2.85Å; Q927-A931 WeakPolarHBondContact O-CB 3.14Å; Q927-A931 PolarHBondContact O-N 2.88Å; Q927-F1164 HydrophobicContact CB-CD1 3.84Å; Q927-F1164 HydrophobicContact CB-CE1 3.52Å; Q927-F1164 HydrophobicContact CB-CZ 4.49Å; Q927-F1164 VanDerWaalsContact OE1-CD1 3.25Å
928L82.9Confident82.6Confident3 Ų346.5 Ų46.52%0.01623%0.231CC..Hα-helixtrans-65.5-47.7173.5177.454000111.6R870 L871 C924 A925 V926 A930 A931 L932 L1092R870-L928 HydrophobicContact CB-CD2 4.04Å; L871-L928 HydrophobicContact CB-CD2 4.26Å; L871-L928 HydrophobicContact CD1-CG 4.27Å; C924-L928 VanDerWaalsContact O-CB 3.24Å; C924-L928 WeakPolarHBondContact O-CB 3.45Å; C924-L928 PolarHBondContact O-N 2.71Å; A925-L928 PolarHBondContact O-N 2.83Å; V926-L928 VanDerWaalsContact C-N 3.35Å; L928-A930 VanDerWaalsContact C-N 3.33Å; L928-A930 PolarHBondContact O-N 3.32Å; L928-A931 WeakPolarHBondContact O-CB 3.47Å; L928-A931 PolarHBondContact O-N 3.34Å; L928-A931 VanDerWaalsContact O-N 3.08Å; L928-L932 HydrophobicContact CD1-CD1 3.88Å; L928-L932 HydrophobicContact CD1-CD2 4.31Å; L928-L932 HydrophobicContact CD1-CG 3.88Å; L928-L932 HydrophobicContact CG-CD1 3.93Å; L928-L932 HydrophobicContact CG-CG 4.39Å; L928-L932 WeakPolarHBondContact O-CG 3.38Å; L928-L932 PolarHBondContact O-N 3.42Å; L928-L1092 HydrophobicContact CD1-CD1 3.99Å; L928-L1092 HydrophobicContact CD1-CD2 4.39Å; L928-L1092 HydrophobicContact CD2-CD1 4.28Å; L928-L1092 HydrophobicContact CD2-CD2 4.32Å
929G85.1Confident82.2Confident0 Ų047.9 Ų47.90%024%0.241CC..Hα-helixtrans-55.2-48.6174.300000111.7A925 V926 A931 L932 E933A925-G929 PolarHBondContact O-N 3.2Å; V926-G929 PolarHBondContact O-N 3.44Å; G929-A931 PolarHBondContact O-N 2.94Å; G929-L932 PolarHBondContact O-N 3.12Å; G929-E933 WeakPolarHBondContact O-CB 3.24Å; G929-E933 WeakPolarHBondContact O-CG 3.5Å; G929-E933 PolarHBondContact O-N 2.95Å
930A85.8Confident81.6Confident25 Ų2550.5 Ų50.521%0.20726%0.26CS..Hα-helixtrans-69-15.4178.200000114.6V926 L928 E933 K934V926-A930 VanDerWaalsContact O-CB 3.31Å; V926-A930 WeakPolarHBondContact O-CB 3.37Å; V926-A930 PolarHBondContact O-N 3.49Å; L928-A930 VanDerWaalsContact C-N 3.33Å; L928-A930 PolarHBondContact O-N 3.32Å; A930-E933 WeakPolarHBondContact CA-OE2 3.31Å; A930-K934 VanDerWaalsContact O-CD 3.26Å; A930-K934 WeakPolarHBondContact O-CD 3.49Å; A930-K934 WeakPolarHBondContact O-CE 3.24Å; A930-K934 WeakPolarHBondContact O-CG 3.46Å
931A81.4Confident81.6Confident21 Ų2150 Ų5017%0.17426%0.255CS..Hα-helixtrans-84.6-46.4169.800000111.2Q927 L928 G929 E933 K934 D935Q927-A931 WeakPolarHBondContact O-CB 3.14Å; Q927-A931 PolarHBondContact O-N 2.88Å; L928-A931 WeakPolarHBondContact O-CB 3.47Å; L928-A931 PolarHBondContact O-N 3.34Å; L928-A931 VanDerWaalsContact O-N 3.08Å; G929-A931 PolarHBondContact O-N 2.94Å; A931-E933 VanDerWaalsContact C-N 3.28Å; A931-E933 PolarHBondContact O-N 3.47Å; A931-K934 PolarHBondContact O-N 3.4Å; A931-D935 PolarHBondContact O-N 3.3Å; A931-D935 VanDerWaalsContact O-N 3.1Å
932L84.3Confident81.6Confident0 Ų046.6 Ų46.60%024%0.237CC..Hα-helixtrans-64.5-32.5177.3-61.4168000112F863 M864 L871 L928 G929 K934 D935 Y938 S939 L942 I1093F863-L932 HydrophobicContact CE1-CD2 4.46Å; M864-L932 HydrophobicContact CE-CD1 4.46Å; L871-L932 HydrophobicContact CD1-CD1 4.31Å; L871-L932 HydrophobicContact CD2-CD1 4.22Å; L928-L932 HydrophobicContact CD1-CD1 3.88Å; L928-L932 HydrophobicContact CD1-CD2 4.31Å; L928-L932 HydrophobicContact CD1-CG 3.88Å; L928-L932 HydrophobicContact CG-CD1 3.93Å; L928-L932 HydrophobicContact CG-CG 4.39Å; L928-L932 WeakPolarHBondContact O-CG 3.38Å; L928-L932 PolarHBondContact O-N 3.42Å; G929-L932 PolarHBondContact O-N 3.12Å; L932-K934 PolarHBondContact O-N 2.95Å; L932-D935 PolarHBondContact O-N 3.1Å; L932-Y938 HydrophobicContact CD2-CD1 3.97Å; L932-Y938 HydrophobicContact CD2-CD2 3.59Å; L932-Y938 HydrophobicContact CD2-CE2 4.22Å; L932-Y938 HydrophobicContact CD2-CG 3.49Å; L932-Y938 VanDerWaalsContact CD2-CG 3.49Å; L932-S939 WeakPolarHBondContact O-CA 3.25Å; L932-S939 PolarHBondContact O-N 2.83Å; L932-S939 VanDerWaalsContact O-N 3.11Å; L932-L942 HydrophobicContact CB-CD1 3.51Å; L932-L942 HydrophobicContact CB-CD2 4.37Å; L932-L942 HydrophobicContact CD1-CD1 4.37Å; L932-I1093 HydrophobicContact CD2-CD1 4.38Å
933E85.4Confident81.5Confident37 Ų3748.4 Ų48.417%0.17325%0.251CS..THydrogen-bonded Turntrans-63.3-23.4171.2-77.7167.4174.500114G929 A930 A931 S939 L942 L978 F979 S980G929-E933 WeakPolarHBondContact O-CB 3.24Å; G929-E933 WeakPolarHBondContact O-CG 3.5Å; G929-E933 PolarHBondContact O-N 2.95Å; A930-E933 WeakPolarHBondContact CA-OE2 3.31Å; A931-E933 VanDerWaalsContact C-N 3.28Å; A931-E933 PolarHBondContact O-N 3.47Å; E933-S939 WeakPolarHBondContact O-CB 3.48Å; E933-L942 HydrophobicContact CG-CD2 4.39Å; E933-L978 HydrophobicContact CG-CD2 4.46Å; E933-L978 WeakPolarHBondContact OE1-CB 3.5Å; E933-F979 WeakPolarHBondContact OE1-CA 3.39Å; E933-F979 WeakPolarHBondContact OE1-CB 3.3Å; E933-F979 PolarHBondContact OE1-N 3.38Å; E933-S980 VanDerWaalsContact CD-OG 3.32Å; E933-S980 PolarHBondContact OE1-N 2.93Å; E933-S980 PolarHBondContact OE1-OG 2.91Å; E933-S980 VanDerWaalsContact OE2-CB 3.3Å; E933-S980 WeakPolarHBondContact OE2-CB 3.42Å; E933-S980 PolarHBondContact OE2-OG 3.18Å
934K80.6Confident81.7Confident177 Ų17746.1 Ų46.177%0.7724%0.24SC*.THydrogen-bonded Turntrans-100.2-13.9179.5-66.5172.4-172169.20113.1A930 A931 L932A930-K934 VanDerWaalsContact O-CD 3.26Å; A930-K934 WeakPolarHBondContact O-CD 3.49Å; A930-K934 WeakPolarHBondContact O-CE 3.24Å; A930-K934 WeakPolarHBondContact O-CG 3.46Å; A931-K934 PolarHBondContact O-N 3.4Å; L932-K934 PolarHBondContact O-N 2.95Å
935D79.7Confident82Confident36 Ų3642.7 Ų42.719%0.19322%0.216CC..SBendtrans-78.8140.2-178.9-178.5-89.8000111.9A931 L932 I937 Y938 S939 I1093A931-D935 PolarHBondContact O-N 3.3Å; A931-D935 VanDerWaalsContact O-N 3.1Å; L932-D935 PolarHBondContact O-N 3.1Å; D935-I937 VanDerWaalsContact C-N 3.28Å; D935-I937 PolarHBondContact O-N 2.92Å; D935-I937 WeakPolarHBondContact OD1-CA 3.35Å; D935-I937 WeakPolarHBondContact OD1-CB 3.39Å; D935-I937 PolarHBondContact OD1-N 3.45Å; D935-Y938 HydrophobicContact CB-CD2 3.95Å; D935-Y938 WeakPolarHBondContact OD1-CD2 3.45Å; D935-Y938 PolarHBondContact OD1-N 3.45Å; D935-S939 WeakPolarHBondContact O-CB 3.44Å; D935-S939 PolarHBondContact O-N 3.4Å; D935-S939 VanDerWaalsContact O-N 3.11Å; D935-S939 PolarHBondContact O-OG 3.37Å; D935-I1093 HydrophobicContact CB-CD1 4.33Å
936R70Confident82.2Confident207 Ų20743 Ų4378%0.78122%0.218SC*.THydrogen-bonded Turntrans-67.5-23.6-175.5-68.8-175.6178169.12.2114.2
937I68.5Low82.2Confident83 Ų8346 Ų4643%0.42623%0.23SC..THydrogen-bonded Turntrans-93-52.3-179.1-55.1173.5000109.4D935 V1098D935-I937 VanDerWaalsContact C-N 3.28Å; D935-I937 PolarHBondContact O-N 2.92Å; D935-I937 WeakPolarHBondContact OD1-CA 3.35Å; D935-I937 WeakPolarHBondContact OD1-CB 3.39Å; D935-I937 PolarHBondContact OD1-N 3.45Å; I937-V1098 HydrophobicContact CD1-CG2 4.03Å
938Y78Confident82.3Confident24 Ų2442.9 Ų42.99%0.09422%0.215CC..Hα-helixtrans-76.3-33.4-172.1-58.8-79000113.5P861 F863 L932 D935 S940 W941 L942 I1093P861-Y938 HydrophobicContact CB-CD1 3.88Å; P861-Y938 HydrophobicContact CB-CE1 3.58Å; P861-Y938 HydrophobicContact CG-CD1 3.88Å; P861-Y938 HydrophobicContact CG-CE1 4.12Å; F863-Y938 HydrophobicContact CB-CE1 4.37Å; F863-Y938 AromaticContact CD1-CE1 3.88Å; F863-Y938 HydrophobicContact CD1-CE1 3.88Å; L932-Y938 HydrophobicContact CD2-CD1 3.97Å; L932-Y938 HydrophobicContact CD2-CD2 3.59Å; L932-Y938 HydrophobicContact CD2-CE2 4.22Å; L932-Y938 HydrophobicContact CD2-CG 3.49Å; L932-Y938 VanDerWaalsContact CD2-CG 3.49Å; D935-Y938 HydrophobicContact CB-CD2 3.95Å; D935-Y938 WeakPolarHBondContact OD1-CD2 3.45Å; D935-Y938 PolarHBondContact OD1-N 3.45Å; Y938-S940 VanDerWaalsContact C-N 3.28Å; Y938-S940 PolarHBondContact O-N 2.78Å; Y938-W941 PolarHBondContact O-N 3.08Å; Y938-L942 WeakPolarHBondContact O-CD1 3.43Å; Y938-L942 PolarHBondContact O-N 3.12Å; Y938-I1093 HydrophobicContact CD2-CD1 4.35Å; Y938-I1093 HydrophobicContact CD2-CG1 4.48Å; Y938-I1093 HydrophobicContact CE2-CD1 4.27Å; Y938-I1093 HydrophobicContact CE2-CG1 3.96Å; Y938-I1093 HydrophobicContact CE2-CG2 4.29Å
939S82.6Confident82.5Confident30 Ų3042.8 Ų42.821%0.2122%0.215CC..Hα-helixtrans-54.5-39.4-176.154.20000113.7L932 E933 D935 W941 L942 T943L932-S939 WeakPolarHBondContact O-CA 3.25Å; L932-S939 PolarHBondContact O-N 2.83Å; L932-S939 VanDerWaalsContact O-N 3.11Å; E933-S939 WeakPolarHBondContact O-CB 3.48Å; D935-S939 WeakPolarHBondContact O-CB 3.44Å; D935-S939 PolarHBondContact O-N 3.4Å; D935-S939 VanDerWaalsContact O-N 3.11Å; D935-S939 PolarHBondContact O-OG 3.37Å; S939-W941 VanDerWaalsContact C-N 3.35Å; S939-W941 PolarHBondContact O-N 2.95Å; S939-L942 PolarHBondContact O-N 3.42Å; S939-T943 WeakPolarHBondContact O-CB 3.46Å; S939-T943 PolarHBondContact O-N 3.38Å; S939-T943 PolarHBondContact O-OG1 3.23Å
940S79.5Confident82.6Confident57 Ų5745.1 Ų45.140%0.39922%0.224SC..Hα-helixtrans-63.1-39.3177.8-66.40000112.5Y938 A944Y938-S940 VanDerWaalsContact C-N 3.28Å; Y938-S940 PolarHBondContact O-N 2.78Å; S940-A944 PolarHBondContact O-N 2.88Å; S940-A944 VanDerWaalsContact O-N 3.12Å
941W84.1Confident82.5Confident8 Ų849.7 Ų49.73%0.0324%0.236CC..Hα-helixtrans-71.1-44.3176.3170.975.1000111.5V840 Q860 P861 M864 Y938 S939 T943 A944 C945V840-W941 HydrophobicContact CG1-CH2 3.9Å; V840-W941 HydrophobicContact CG1-CZ2 4.29Å; Q860-W941 HydrophobicContact CG-CZ2 4.1Å; P861-W941 VanDerWaalsContact CD-CD2 3.49Å; P861-W941 HydrophobicContact CG-CB 4.27Å; P861-W941 HydrophobicContact CG-CD2 4.11Å; P861-W941 HydrophobicContact CG-CE3 4.27Å; P861-W941 HydrophobicContact CG-CG 4.1Å; M864-W941 HydrophobicContact CB-CH2 4.1Å; M864-W941 HydrophobicContact CB-CZ3 4.36Å; M864-W941 HydrophobicContact CG-CH2 3.73Å; M864-W941 HydrophobicContact CG-CZ3 3.65Å; M864-W941 HydrophobicContact SD-CH2 4.01Å; M864-W941 HydrophobicContact SD-CZ3 4.19Å; Y938-W941 PolarHBondContact O-N 3.08Å; S939-W941 VanDerWaalsContact C-N 3.35Å; S939-W941 PolarHBondContact O-N 2.95Å; W941-T943 VanDerWaalsContact C-N 3.3Å; W941-T943 PolarHBondContact O-N 3.41Å; W941-A944 PolarHBondContact O-N 3.05Å; W941-C945 PolarHBondContact O-N 3.12Å; W941-C945 PolarHBondContact O-SG 3.09Å
942L85.9Confident82.7Confident3 Ų350.5 Ų50.52%0.01624%0.235CC..Hα-helixtrans-63.9-33.4174.9-80.1102.7000112.8L932 E933 Y938 S939 C945 N946 F979L932-L942 HydrophobicContact CB-CD1 3.51Å; L932-L942 HydrophobicContact CB-CD2 4.37Å; L932-L942 HydrophobicContact CD1-CD1 4.37Å; E933-L942 HydrophobicContact CG-CD2 4.39Å; Y938-L942 WeakPolarHBondContact O-CD1 3.43Å; Y938-L942 PolarHBondContact O-N 3.12Å; S939-L942 PolarHBondContact O-N 3.42Å; L942-C945 PolarHBondContact O-N 3.27Å; L942-N946 WeakPolarHBondContact O-CB 3.46Å; L942-N946 PolarHBondContact O-N 3.22Å; L942-N946 PolarHBondContact O-ND2 3.27Å; L942-F979 HydrophobicContact CD2-CB 3.73Å; L942-F979 HydrophobicContact CD2-CD1 3.94Å; L942-F979 HydrophobicContact CD2-CG 3.88Å
943T84.5Confident82.6Confident72 Ų7252.7 Ų52.744%0.44225%0.245SC..Hα-helixtrans-64.1-48.5173-640000110.8S939 W941 C945 N946 E947S939-T943 WeakPolarHBondContact O-CB 3.46Å; S939-T943 PolarHBondContact O-N 3.38Å; S939-T943 PolarHBondContact O-OG1 3.23Å; W941-T943 VanDerWaalsContact C-N 3.3Å; W941-T943 PolarHBondContact O-N 3.41Å; T943-C945 VanDerWaalsContact C-N 3.31Å; T943-C945 PolarHBondContact O-N 3.16Å; T943-N946 PolarHBondContact O-N 3.15Å; T943-N946 VanDerWaalsContact O-N 3.11Å; T943-E947 WeakPolarHBondContact O-CG 3.26Å; T943-E947 PolarHBondContact O-N 3Å
944A84.3Confident82.2Confident10 Ų1053.8 Ų53.88%0.08325%0.25CS..Hα-helixtrans-59.2-39.9174.900000112.5Y858 S940 W941 E947 E948Y858-A944 HydrophobicContact CD2-CB 4.01Å; Y858-A944 HydrophobicContact CG-CB 4.35Å; S940-A944 PolarHBondContact O-N 2.88Å; S940-A944 VanDerWaalsContact O-N 3.12Å; W941-A944 PolarHBondContact O-N 3.05Å; A944-E947 PolarHBondContact O-N 2.82Å; A944-E948 WeakPolarHBondContact O-CB 3.35Å; A944-E948 PolarHBondContact O-N 2.92Å
945C86Confident81.8Confident2 Ų248.6 Ų48.61%0.01424%0.237CC..Hα-helixtrans-63.6-42.5173.1-680000112.5V839 V840 W941 L942 T943 E948 V949V839-C945 HydrophobicContact CG1-CB 3.8Å; V840-C945 HydrophobicContact CG2-CB 4.14Å; W941-C945 PolarHBondContact O-N 3.12Å; W941-C945 PolarHBondContact O-SG 3.09Å; L942-C945 PolarHBondContact O-N 3.27Å; T943-C945 VanDerWaalsContact C-N 3.31Å; T943-C945 PolarHBondContact O-N 3.16Å; C945-E948 PolarHBondContact O-N 2.71Å; C945-V949 WeakPolarHBondContact O-CB 3.42Å; C945-V949 VanDerWaalsContact O-CG2 3.3Å; C945-V949 WeakPolarHBondContact O-CG2 3.21Å; C945-V949 PolarHBondContact O-N 2.88Å
946N88.4Confident80.9Confident7 Ų750 Ų504%0.03724%0.243CC..Hα-helixtrans-67.7-36.3178.2-79.9-45.4000112.6L942 T943 Y950 I976 L977 F979 R982L942-N946 WeakPolarHBondContact O-CB 3.46Å; L942-N946 PolarHBondContact O-N 3.22Å; L942-N946 PolarHBondContact O-ND2 3.27Å; T943-N946 PolarHBondContact O-N 3.15Å; T943-N946 VanDerWaalsContact O-N 3.11Å; N946-Y950 WeakPolarHBondContact O-CB 3.42Å; N946-Y950 PolarHBondContact O-N 3.14Å; N946-I976 HydrophobicContact CB-CG2 3.7Å; N946-L977 PolarHBondContact OD1-O 3.19Å; N946-F979 PolarHBondContact ND2-N 3.06Å; N946-R982 WeakPolarHBondContact OD1-CD 3.47Å; N946-R982 PolarHBondContact OD1-NE 2.94Å
947E85.9Confident80.2Confident97 Ų9744.7 Ų44.745%0.45323%0.234SC..Hα-helixtrans-65.4-44.6172.4-75.4172.8-175.100112.1T943 A944 Y950 R951 I976T943-E947 WeakPolarHBondContact O-CG 3.26Å; T943-E947 PolarHBondContact O-N 3Å; A944-E947 PolarHBondContact O-N 2.82Å; E947-Y950 PolarHBondContact O-N 2.89Å; E947-R951 VanDerWaalsContact O-CB 3.25Å; E947-R951 WeakPolarHBondContact O-CB 3.29Å; E947-R951 PolarHBondContact O-N 3.47Å; E947-I976 HydrophobicContact CG-CD1 3.75Å
948E85.3Confident79.2Confident1 Ų149 Ų491%0.00525%0.25CS..Hα-helixtrans-62.8-49.6175.6174.26760.400111.4V839 A944 C945 Y950 R951 R952V839-E948 HydrophobicContact CB-CG 4.22Å; V839-E948 HydrophobicContact CG1-CB 3.97Å; V839-E948 HydrophobicContact CG1-CG 3.76Å; V839-E948 HydrophobicContact CG2-CB 4.29Å; V839-E948 HydrophobicContact CG2-CG 3.35Å; A944-E948 WeakPolarHBondContact O-CB 3.35Å; A944-E948 PolarHBondContact O-N 2.92Å; C945-E948 PolarHBondContact O-N 2.71Å; E948-Y950 VanDerWaalsContact C-N 3.33Å; E948-Y950 PolarHBondContact O-N 3.47Å; E948-R951 VanDerWaalsContact CD-NH2 3.3Å; E948-R951 PolarHBondContact O-N 2.93Å; E948-R951 IonicContact OE1-CZ 3.28Å; E948-R951 VanDerWaalsContact OE1-CZ 3.25Å; E948-R951 IonicContact OE1-NH1 3.88Å; E948-R951 PolarHBondContact OE1-NH1 3Å; E948-R951 IonicContact OE1-NH2 3.71Å; E948-R951 PolarHBondContact OE1-NH2 3.43Å; E948-R951 IonicContact OE2-CZ 3.81Å; E948-R951 IonicContact OE2-NH1 3.85Å; E948-R951 PolarHBondContact OE2-NH1 3.01Å; E948-R951 IonicContact OE2-NH2 2.85Å; E948-R952 WeakPolarHBondContact O-CG 3.43Å; E948-R952 PolarHBondContact O-N 3.16Å; E948-R952 WeakPolarHBondContact OE2-CD 3.34Å; E948-R952 WeakPolarHBondContact OE2-CG 3.36Å; E948-R952 IonicContact OE2-CZ 3.81Å; E948-R952 IonicContact OE2-NE 2.78Å; E948-R952 PolarHBondContact OE2-NE 3.05Å; E948-R952 IonicContact OE2-NH2 3.92Å
949V87Confident77.6Confident1 Ų155.7 Ų55.71%0.00628%0.284CS..Hα-helixtrans-60-43.4175.71740000110.8H835 V836 V839 C945 R951 R952 E953H835-V949 HydrophobicContact CB-CG1 4.05Å; H835-V949 HydrophobicContact CB-CG2 4.43Å; V836-V949 HydrophobicContact CG2-CG1 4.18Å; V836-V949 HydrophobicContact CG2-CG2 4.29Å; V839-V949 HydrophobicContact CB-CG2 3.97Å; V839-V949 HydrophobicContact CG1-CG2 4.17Å; V839-V949 HydrophobicContact CG2-CG2 3.95Å; C945-V949 WeakPolarHBondContact O-CB 3.42Å; C945-V949 VanDerWaalsContact O-CG2 3.3Å; C945-V949 WeakPolarHBondContact O-CG2 3.21Å; C945-V949 PolarHBondContact O-N 2.88Å; V949-R951 PolarHBondContact O-N 3.23Å; V949-R952 PolarHBondContact O-N 3.36Å; V949-E953 HydrophobicContact CG1-CG 4.4Å; V949-E953 WeakPolarHBondContact O-CB 3.39Å; V949-E953 VanDerWaalsContact O-CG 3.22Å; V949-E953 WeakPolarHBondContact O-CG 3.5Å; V949-E953 PolarHBondContact O-N 3.3Å
950Y86.7Confident75.7Confident50 Ų5061 Ų6120%0.19631%0.31CS..Hα-helixtrans-62.6-41176.1-179.4-99.1000112.7N946 E947 E948 E953 M954 R974 I976N946-Y950 WeakPolarHBondContact O-CB 3.42Å; N946-Y950 PolarHBondContact O-N 3.14Å; E947-Y950 PolarHBondContact O-N 2.89Å; E948-Y950 VanDerWaalsContact C-N 3.33Å; E948-Y950 PolarHBondContact O-N 3.47Å; Y950-E953 WeakPolarHBondContact CA-OE2 3.16Å; Y950-E953 WeakPolarHBondContact O-CB 3.42Å; Y950-E953 PolarHBondContact O-N 3.29Å; Y950-M954 HydrophobicContact CD1-CG 4.3Å; Y950-M954 HydrophobicContact CD2-CE 4.42Å; Y950-M954 HydrophobicContact CE1-CG 3.89Å; Y950-M954 HydrophobicContact CE2-CE 3.68Å; Y950-M954 HydrophobicContact CE2-CG 4.27Å; Y950-M954 WeakPolarHBondContact O-CB 3.47Å; Y950-M954 VanDerWaalsContact O-CG 3.32Å; Y950-M954 WeakPolarHBondContact O-CG 3.2Å; Y950-M954 PolarHBondContact O-N 2.99Å; Y950-R974 HydrophobicContact CE2-CB 4.24Å; Y950-R974 PolarHBondContact OH-O 3.1Å; Y950-I976 HydrophobicContact CD1-CD1 4.4Å; Y950-I976 HydrophobicContact CD1-CG1 4.12Å; Y950-I976 HydrophobicContact CD2-CG1 4.34Å; Y950-I976 HydrophobicContact CG-CG1 4.03Å
951R85.3Confident73.6Confident121 Ų12161 Ų6146%0.45732%0.319SS..Hα-helixtrans-65.2-41175.8173.516241.266.8-1111.6E947 E948 V949 M954 S955E947-R951 VanDerWaalsContact O-CB 3.25Å; E947-R951 WeakPolarHBondContact O-CB 3.29Å; E947-R951 PolarHBondContact O-N 3.47Å; E948-R951 VanDerWaalsContact CD-NH2 3.3Å; E948-R951 PolarHBondContact O-N 2.93Å; E948-R951 IonicContact OE1-CZ 3.28Å; E948-R951 VanDerWaalsContact OE1-CZ 3.25Å; E948-R951 IonicContact OE1-NH1 3.88Å; E948-R951 PolarHBondContact OE1-NH1 3Å; E948-R951 IonicContact OE1-NH2 3.71Å; E948-R951 PolarHBondContact OE1-NH2 3.43Å; E948-R951 IonicContact OE2-CZ 3.81Å; E948-R951 IonicContact OE2-NH1 3.85Å; E948-R951 PolarHBondContact OE2-NH1 3.01Å; E948-R951 IonicContact OE2-NH2 2.85Å; V949-R951 PolarHBondContact O-N 3.23Å; R951-M954 PolarHBondContact O-N 3.44Å; R951-S955 PolarHBondContact O-N 3.1Å; R951-S955 PolarHBondContact O-OG 3.08Å; R951-S955 VanDerWaalsContact O-OG 3.1Å
952R85.1Confident71.1Confident38 Ų3868.5 Ų68.514%0.14336%0.36CS..Hα-helixtrans-64.4-42.6173-68.8178.8176.3-146.7-2.3111.7H835 D838 S844 D846 E948 V949 M954 S955 I956H835-R952 HydrophobicContact CB-CB 4.48Å; H835-R952 VanDerWaalsContact CE1-C 3.42Å; D838-R952 IonicContact OD2-NH1 3.93Å; D838-R952 PolarHBondContact OD2-NH1 3.14Å; S844-R952 PolarHBondContact O-NH2 3.31Å; S844-R952 VanDerWaalsContact O-NH2 3.1Å; S844-R952 PolarHBondContact OG-NH2 3.18Å; D846-R952 IonicContact OD1-NH2 2.82Å; D846-R952 IonicContact OD2-CZ 3.45Å; D846-R952 IonicContact OD2-NH2 3.81Å; D846-R952 PolarHBondContact OD2-NH2 3.17Å; E948-R952 WeakPolarHBondContact O-CG 3.43Å; E948-R952 PolarHBondContact O-N 3.16Å; E948-R952 WeakPolarHBondContact OE2-CD 3.34Å; E948-R952 WeakPolarHBondContact OE2-CG 3.36Å; E948-R952 IonicContact OE2-CZ 3.81Å; E948-R952 IonicContact OE2-NE 2.78Å; E948-R952 PolarHBondContact OE2-NE 3.05Å; E948-R952 IonicContact OE2-NH2 3.92Å; V949-R952 PolarHBondContact O-N 3.36Å; R952-M954 VanDerWaalsContact C-N 3.31Å; R952-M954 PolarHBondContact O-N 3.33Å; R952-S955 PolarHBondContact O-N 2.93Å; R952-I956 PolarHBondContact O-N 3.12Å
953E82.1Confident68.8Low45 Ų4575.4 Ų75.421%0.2139%0.392CS..Hα-helixtrans-56.7-41.3172.2-72167.8148.300112.1V949 Y950 R982V949-E953 HydrophobicContact CG1-CG 4.4Å; V949-E953 WeakPolarHBondContact O-CB 3.39Å; V949-E953 VanDerWaalsContact O-CG 3.22Å; V949-E953 WeakPolarHBondContact O-CG 3.5Å; V949-E953 PolarHBondContact O-N 3.3Å; Y950-E953 WeakPolarHBondContact CA-OE2 3.16Å; Y950-E953 WeakPolarHBondContact O-CB 3.42Å; Y950-E953 PolarHBondContact O-N 3.29Å; E953-R982 VanDerWaalsContact CD-NH1 3.32Å; E953-R982 IonicContact OE1-CZ 3.56Å; E953-R982 IonicContact OE1-NH1 3.58Å; E953-R982 PolarHBondContact OE1-NH1 3.38Å; E953-R982 IonicContact OE1-NH2 3.14Å; E953-R982 IonicContact OE2-CZ 3.34Å; E953-R982 IonicContact OE2-NH1 3.93Å; E953-R982 PolarHBondContact OE2-NH1 3.07Å; E953-R982 VanDerWaalsContact OE2-NH1 3.12Å; E953-R982 IonicContact OE2-NH2 2.82Å; E953-R982 PolarHBondContact OE2-NH2 3.26Å
954M76.7Confident66.2Low60 Ų6078.1 Ų78.130%0.29641%0.413SS..Hα-helixtrans-82-15.8179.5-68.3-63.3145.300115.2Y950 R951 R952 T957Y950-M954 HydrophobicContact CD1-CG 4.3Å; Y950-M954 HydrophobicContact CD2-CE 4.42Å; Y950-M954 HydrophobicContact CE1-CG 3.89Å; Y950-M954 HydrophobicContact CE2-CE 3.68Å; Y950-M954 HydrophobicContact CE2-CG 4.27Å; Y950-M954 WeakPolarHBondContact O-CB 3.47Å; Y950-M954 VanDerWaalsContact O-CG 3.32Å; Y950-M954 WeakPolarHBondContact O-CG 3.2Å; Y950-M954 PolarHBondContact O-N 2.99Å; R951-M954 PolarHBondContact O-N 3.44Å; R952-M954 VanDerWaalsContact C-N 3.31Å; R952-M954 PolarHBondContact O-N 3.33Å; M954-T957 PolarHBondContact O-OG1 3.46Å
955S71.7Confident63.7Low69 Ų6980.9 Ų80.948%0.48343%0.432SS..Hα-helixtrans-75-37.7173.5-72.40000111.8R951 R952 T957 K958R951-S955 PolarHBondContact O-N 3.1Å; R951-S955 PolarHBondContact O-OG 3.08Å; R951-S955 VanDerWaalsContact O-OG 3.1Å; R952-S955 PolarHBondContact O-N 2.93Å; S955-T957 VanDerWaalsContact C-N 3.32Å; S955-T957 PolarHBondContact O-N 2.94Å; S955-K958 PolarHBondContact O-N 2.99Å; S955-K958 VanDerWaalsContact O-N 3.13Å
956I62.2Low61.2Low64 Ų6487.6 Ų87.633%0.32847%0.474SS..Hα-helixtrans-64.7-35.5-179.7-65.1-178000111.7N831 R952 K958N831-I956 HydrophobicContact CB-CD1 4.12Å; R952-I956 PolarHBondContact O-N 3.12Å; I956-K958 PolarHBondContact O-N 3.42Å
957T54.9Low58.5Low97 Ų9792.2 Ų92.260%0.59550%0.502SS*.Hα-helixtrans-68.6-18.8176.647.60000113.6M954 S955M954-T957 PolarHBondContact O-OG1 3.46Å; S955-T957 VanDerWaalsContact C-N 3.32Å; S955-T957 PolarHBondContact O-N 2.94Å
958K47.8Very low55.9Low174 Ų17492.6 Ų92.676%0.75751%0.513SS*.Hα-helixtrans-85-30.2177.6-68.8-176.6178.8-178.50114S955 I956S955-K958 PolarHBondContact O-N 2.99Å; S955-K958 VanDerWaalsContact O-N 3.13Å; I956-K958 PolarHBondContact O-N 3.42Å
959M43.8Very low53.5Low164 Ų16498 Ų9881%0.80855%0.548SS*.Hα-helixtrans-77.4-22.6-178-76.3-161.5171.300114.9G961M959-G961 PolarHBondContact O-N 3.01Å
960N43.1Very low51.1Low141 Ų141104.1 Ų104.175%0.75459%0.585SS**THydrogen-bonded Turntrans-81.86.1179.4-69-34.8000113.8
961G35Very low48.7Very low56 Ų56110.1 Ų110.158%0.57762%0.615SS**  trans-100.739.7-170.200000116.1M959 E963M959-G961 PolarHBondContact O-N 3.01Å; G961-E963 PolarHBondContact O-N 3.26Å
962N32.1Very low46.5Very low167 Ų167109.6 Ų109.689%0.89362%0.621SS**  trans-77.557.5-179-90.4-7.9000114
963E36.2Very low44.7Very low148 Ų148115.3 Ų115.369%0.69265%0.654SS**SBendtrans-132.6125.2162.9-77.5-162.7166.200111.4R801 G961 S965R801-E963 IonicContact NH1-OE2 2.69Å; G961-E963 PolarHBondContact O-N 3.26Å; E963-S965 PolarHBondContact O-N 3.09Å
964S30.3Very low43.7Very low128 Ų128120.7 Ų120.790%0.89567%0.673SS**  trans-69.7111-177.845.30000112.1
965S31.5Very low43.3Very low68 Ų68122.5 Ų122.548%0.47669%0.689SS.*  trans-157.7136.5171.8-156.10000113.8R801 E963 V967R801-S965 PolarHBondContact NH2-OG 3.42Å; E963-S965 PolarHBondContact O-N 3.09Å; S965-V967 PolarHBondContact O-N 3.34Å; S965-V967 VanDerWaalsContact O-N 3.15Å
966T33.2Very low43.6Very low144 Ų144123 Ų12388%0.88369%0.685SS**  trans-85.980.3-173.551.70000112.1
967V32.9Very low44.6Very low104 Ų104123.9 Ų123.963%0.6369%0.69SS**  trans-137.5127.6165.6-172.80000107.9S965S965-V967 PolarHBondContact O-N 3.34Å; S965-V967 VanDerWaalsContact O-N 3.15Å
968P31.4Very low46.1Very low105 Ų105124.3 Ų124.368%0.68269%0.688SS**  trans-65.8138.2173.928.5-33.9000109.7T970P968-T970 PolarHBondContact O-N 3.07Å; P968-T970 VanDerWaalsContact O-N 3.11Å
969P35.1Very low48Very low114 Ų114116.2 Ų116.274%0.7465%0.653SS**  trans-69.4111.3177.528.4-33000109.4E971P969-E971 PolarHBondContact O-N 3.48Å; P969-E971 VanDerWaalsContact O-N 3.09Å
970T35.4Very low50.1Low130 Ų130109.1 Ų109.180%0.79862%0.62SS**  trans-58115173.3-45.90000109.2P968 L972P968-T970 PolarHBondContact O-N 3.07Å; P968-T970 VanDerWaalsContact O-N 3.11Å; T970-L972 PolarHBondContact O-N 3.42Å
971E36.2Very low52.2Low175 Ų175104.8 Ų104.882%0.81860%0.6SS**  trans-69.292.9-174.6-65.5-168135.500111P969 N973P969-E971 PolarHBondContact O-N 3.48Å; P969-E971 VanDerWaalsContact O-N 3.09Å; E971-N973 PolarHBondContact O-N 3.09Å
972L41Very low54.9Low111 Ų111102.3 Ų102.358%0.58157%0.573SS**  trans-76.493.1178.7-153.587.4000108.8T797 T970 R974T797-L972 HydrophobicContact CG2-CD1 4.13Å; T797-L972 HydrophobicContact CG2-CD2 4Å; T797-L972 WeakPolarHBondContact OG1-CD2 3.43Å; T970-L972 PolarHBondContact O-N 3.42Å; L972-R974 VanDerWaalsContact C-N 3.29Å; L972-R974 PolarHBondContact O-N 2.88Å
973N47.3Very low57.7Low157 Ų15794.3 Ų94.384%0.8453%0.531SS*.  trans-56.983.1-179.4-84.3-29.1000112.8E971E971-N973 PolarHBondContact O-N 3.09Å
974R59.4Low60.3Low159 Ų15989.3 Ų89.360%0.651%0.51SS*.PPolyproline II helixtrans-80.5121.6172.4-162.7178.3-158.3-142.52.7108Y950 L972 I976Y950-R974 HydrophobicContact CE2-CB 4.24Å; Y950-R974 PolarHBondContact OH-O 3.1Å; L972-R974 VanDerWaalsContact C-N 3.29Å; L972-R974 PolarHBondContact O-N 2.88Å; R974-I976 PolarHBondContact O-N 3.49Å
975P69.1Low63.3Low98 Ų9885 Ų8564%0.63648%0.479SS*.PPolyproline II helixtrans-63.9139.3-177.426-34.3000110.7L977P975-L977 PolarHBondContact O-N 2.95Å
976I78.6Confident66.3Low79 Ų7981.8 Ų81.841%0.40546%0.456SS..PPolyproline II helixtrans-64.8120.8170.9-61.1-179.3000107.4N946 E947 Y950 R974N946-I976 HydrophobicContact CB-CG2 3.7Å; E947-I976 HydrophobicContact CG-CD1 3.75Å; Y950-I976 HydrophobicContact CD1-CD1 4.4Å; Y950-I976 HydrophobicContact CD1-CG1 4.12Å; Y950-I976 HydrophobicContact CD2-CG1 4.34Å; Y950-I976 HydrophobicContact CG-CG1 4.03Å; R974-I976 PolarHBondContact O-N 3.49Å
977L81.8Confident69Low82 Ų8275.7 Ų75.743%0.42942%0.418SS..PPolyproline II helixtrans-74.6139.4-178.3-65.9179.4000110.8N946 P975 R982N946-L977 PolarHBondContact OD1-O 3.19Å; P975-L977 PolarHBondContact O-N 2.95Å; L977-R982 HydrophobicContact CB-CG 4.25Å
978L86.4Confident71.9Confident107 Ų10776 Ų7656%0.5641%0.413SS*.PPolyproline II helixtrans-57.6143.2167.8-71175.8000110E933 S980 S981 R982E933-L978 HydrophobicContact CG-CD2 4.46Å; E933-L978 WeakPolarHBondContact OE1-CB 3.5Å; L978-S980 VanDerWaalsContact C-N 3.32Å; L978-S980 PolarHBondContact O-N 3.39Å; L978-S981 WeakPolarHBondContact O-CB 3.32Å; L978-S981 PolarHBondContact O-N 2.76Å; L978-S981 PolarHBondContact O-OG 3.24Å; L978-R982 PolarHBondContact O-N 3.34Å
979F87.9Confident74.9Confident3 Ų371.7 Ų71.71%0.01338%0.383CS..Hα-helixtrans-63.5-40-178.7-169.6-95.3000111.7V836 V840 L871 L872 E933 L942 N946 S981 R982 L983V836-F979 HydrophobicContact CG1-CE2 4Å; V836-F979 HydrophobicContact CG1-CZ 4.15Å; V840-F979 HydrophobicContact CG1-CZ 4.37Å; V840-F979 HydrophobicContact CG2-CE2 3.79Å; V840-F979 HydrophobicContact CG2-CZ 4.21Å; L871-F979 HydrophobicContact CD1-CD1 4.17Å; L871-F979 HydrophobicContact CD1-CE1 3.81Å; L871-F979 HydrophobicContact CD2-CD1 4.44Å; L871-F979 HydrophobicContact CD2-CE1 3.83Å; L871-F979 HydrophobicContact CD2-CZ 4.42Å; L871-F979 HydrophobicContact CG-CD1 4.48Å; L871-F979 HydrophobicContact CG-CE1 3.71Å; L871-F979 HydrophobicContact CG-CZ 4.48Å; L872-F979 HydrophobicContact CD2-CZ 3.99Å; E933-F979 WeakPolarHBondContact OE1-CA 3.39Å; E933-F979 WeakPolarHBondContact OE1-CB 3.3Å; E933-F979 PolarHBondContact OE1-N 3.38Å; L942-F979 HydrophobicContact CD2-CB 3.73Å; L942-F979 HydrophobicContact CD2-CD1 3.94Å; L942-F979 HydrophobicContact CD2-CG 3.88Å; N946-F979 PolarHBondContact ND2-N 3.06Å; F979-S981 PolarHBondContact O-N 2.78Å; F979-R982 WeakPolarHBondContact O-CA 3.46Å; F979-R982 WeakPolarHBondContact O-CB 3.29Å; F979-R982 PolarHBondContact O-N 2.88Å; F979-L983 HydrophobicContact CD1-CD1 4.08Å; F979-L983 HydrophobicContact CD1-CG 4.11Å; F979-L983 HydrophobicContact CE1-CD1 3.89Å; F979-L983 HydrophobicContact CE1-CD2 3.75Å; F979-L983 HydrophobicContact CE1-CG 3.8Å; F979-L983 HydrophobicContact CZ-CD2 4.14Å; F979-L983 PolarHBondContact O-N 3.08Å; F979-L983 VanDerWaalsContact O-N 3.09Å
980S88Confident77.5Confident16 Ų1666.4 Ų66.411%0.11235%0.349CS..Hα-helixtrans-53.2-34171.456.90000112.7E933 L978E933-S980 VanDerWaalsContact CD-OG 3.32Å; E933-S980 PolarHBondContact OE1-N 2.93Å; E933-S980 PolarHBondContact OE1-OG 2.91Å; E933-S980 VanDerWaalsContact OE2-CB 3.3Å; E933-S980 WeakPolarHBondContact OE2-CB 3.42Å; E933-S980 PolarHBondContact OE2-OG 3.18Å; L978-S980 VanDerWaalsContact C-N 3.32Å; L978-S980 PolarHBondContact O-N 3.39Å
981S88.2Confident80.1Confident49 Ų4964.5 Ų64.534%0.34333%0.331SS..Hα-helixtrans-77.8-33174.2790000113.5L978 F979 L983 V984L978-S981 WeakPolarHBondContact O-CB 3.32Å; L978-S981 PolarHBondContact O-N 2.76Å; L978-S981 PolarHBondContact O-OG 3.24Å; F979-S981 PolarHBondContact O-N 2.78Å; S981-L983 VanDerWaalsContact C-N 3.29Å; S981-L983 PolarHBondContact O-N 2.88Å; S981-V984 PolarHBondContact O-N 2.95Å
982R90.5Very high82.8Confident4 Ų461.1 Ų61.12%0.01531%0.311CS..Hα-helixtrans-64.7-32.2174.7-66-178.1175.4-86.713.6111.9F832 N946 E953 L977 L978 F979 V984 T985F832-R982 HydrophobicContact CE2-CB 4.09Å; F832-R982 HydrophobicContact CE2-CG 4.26Å; F832-R982 HydrophobicContact CZ-CB 4.08Å; F832-R982 WeakPolarHBondContact CZ-O 3.42Å; N946-R982 WeakPolarHBondContact OD1-CD 3.47Å; N946-R982 PolarHBondContact OD1-NE 2.94Å; E953-R982 VanDerWaalsContact CD-NH1 3.32Å; E953-R982 IonicContact OE1-CZ 3.56Å; E953-R982 IonicContact OE1-NH1 3.58Å; E953-R982 PolarHBondContact OE1-NH1 3.38Å; E953-R982 IonicContact OE1-NH2 3.14Å; E953-R982 IonicContact OE2-CZ 3.34Å; E953-R982 IonicContact OE2-NH1 3.93Å; E953-R982 PolarHBondContact OE2-NH1 3.07Å; E953-R982 VanDerWaalsContact OE2-NH1 3.12Å; E953-R982 IonicContact OE2-NH2 2.82Å; E953-R982 PolarHBondContact OE2-NH2 3.26Å; L977-R982 HydrophobicContact CB-CG 4.25Å; L978-R982 PolarHBondContact O-N 3.34Å; F979-R982 WeakPolarHBondContact O-CA 3.46Å; F979-R982 WeakPolarHBondContact O-CB 3.29Å; F979-R982 PolarHBondContact O-N 2.88Å; R982-V984 PolarHBondContact O-N 3.03Å; R982-T985 WeakPolarHBondContact O-CB 3.37Å; R982-T985 PolarHBondContact O-N 3.35Å; R982-T985 VanDerWaalsContact O-N 3.15Å; R982-T985 PolarHBondContact O-OG1 3.46Å; R982-T985 VanDerWaalsContact O-OG1 3.12Å
983L91.2Very high85.3Confident0 Ų056.5 Ų56.50%029%0.285CS..THydrogen-bonded Turntrans-64.7-15176.3-68.3176.5000114.6L871 L872 W875 Y918 A925 V926 F979 S981L871-L983 HydrophobicContact CD1-CD1 4.07Å; L871-L983 WeakPolarHBondContact O-CD2 3.47Å; L872-L983 HydrophobicContact CD2-CD2 4.08Å; W875-L983 HydrophobicContact CE3-CD2 4.47Å; W875-L983 HydrophobicContact CZ3-CD2 3.92Å; Y918-L983 PolarHBondContact OH-O 3Å; A925-L983 HydrophobicContact CB-CD1 4.16Å; A925-L983 VanDerWaalsContact O-CD1 3.32Å; A925-L983 WeakPolarHBondContact O-CD1 3.47Å; V926-L983 HydrophobicContact CG2-CB 3.87Å; F979-L983 HydrophobicContact CD1-CD1 4.08Å; F979-L983 HydrophobicContact CD1-CG 4.11Å; F979-L983 HydrophobicContact CE1-CD1 3.89Å; F979-L983 HydrophobicContact CE1-CD2 3.75Å; F979-L983 HydrophobicContact CE1-CG 3.8Å; F979-L983 HydrophobicContact CZ-CD2 4.14Å; F979-L983 PolarHBondContact O-N 3.08Å; F979-L983 VanDerWaalsContact O-N 3.09Å; S981-L983 VanDerWaalsContact C-N 3.29Å; S981-L983 PolarHBondContact O-N 2.88Å
984V91.2Very high87.5Confident42 Ų4251.3 Ų51.326%0.25526%0.256SS..THydrogen-bonded Turntrans-83.2-17.2176.7-167.70000111.9V926 S981 R982 V987 Q988V926-V984 HydrophobicContact CG2-CG2 4.26Å; S981-V984 PolarHBondContact O-N 2.95Å; R982-V984 PolarHBondContact O-N 3.03Å; V984-V987 WeakPolarHBondContact O-CB 3.13Å; V984-V987 PolarHBondContact O-N 3.36Å; V984-V987 VanDerWaalsContact O-N 3.15Å; V984-Q988 HydrophobicContact CG1-CG 4.23Å; V984-Q988 PolarHBondContact O-N 2.92Å; V984-Q988 VanDerWaalsContact O-N 3.15Å
985T92.8Very high89.1Confident39 Ų3948.2 Ų48.224%0.23925%0.251CS..Hα-helixtrans-59.5-38.6-173.6-55.20000114.5Y829 F832 R982 Q988 R989Y829-T985 HydrophobicContact CD2-CG2 4.12Å; Y829-T985 HydrophobicContact CE2-CG2 4.13Å; F832-T985 HydrophobicContact CD1-CG2 3.97Å; F832-T985 HydrophobicContact CE1-CG2 3.64Å; F832-T985 HydrophobicContact CZ-CG2 4.08Å; R982-T985 WeakPolarHBondContact O-CB 3.37Å; R982-T985 PolarHBondContact O-N 3.35Å; R982-T985 VanDerWaalsContact O-N 3.15Å; R982-T985 PolarHBondContact O-OG1 3.46Å; R982-T985 VanDerWaalsContact O-OG1 3.12Å; T985-Q988 PolarHBondContact O-N 2.87Å; T985-R989 PolarHBondContact O-N 2.84Å
986P93.9Very high90.3Very high0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-62.5-42.7173.9-26.337.8000113.4Y829 L833 W875 L878 Y915 Y918 Q988 R989 F990Y829-P986 VanDerWaalsContact OH-CA 3.32Å; Y829-P986 WeakPolarHBondContact OH-CA 3.39Å; Y829-P986 VanDerWaalsContact OH-CB 3.31Å; Y829-P986 WeakPolarHBondContact OH-CB 3.33Å; L833-P986 HydrophobicContact CD2-CG 4.35Å; W875-P986 HydrophobicContact CE3-CG 4.42Å; W875-P986 HydrophobicContact CH2-CG 4.21Å; W875-P986 HydrophobicContact CZ3-CG 3.87Å; L878-P986 HydrophobicContact CD1-CB 4.27Å; Y915-P986 HydrophobicContact CE1-CB 3.97Å; Y915-P986 VanDerWaalsContact CE1-O 3.23Å; Y915-P986 WeakPolarHBondContact CE1-O 3.19Å; Y918-P986 HydrophobicContact CD1-CB 4.07Å; Y918-P986 HydrophobicContact CE1-CB 3.77Å; Y918-P986 HydrophobicContact CE1-CG 3.98Å; Y918-P986 HydrophobicContact CE2-CB 4.48Å; Y918-P986 HydrophobicContact CE2-CG 4.23Å; P986-Q988 VanDerWaalsContact C-N 3.26Å; P986-Q988 PolarHBondContact O-N 3.1Å; P986-R989 PolarHBondContact O-N 3.23Å; P986-F990 PolarHBondContact O-N 2.71Å
987V91.8Very high91Very high15 Ų1540.1 Ų40.19%0.09120%0.203CC..Hα-helixtrans-58.7-42.5176.9-173.40000110.2Y918 H922 V984 F990 Q991Y918-V987 HydrophobicContact CD1-CG2 4.12Å; Y918-V987 HydrophobicContact CE1-CG2 3.97Å; H922-V987 HydrophobicContact CB-CG2 4.48Å; V984-V987 WeakPolarHBondContact O-CB 3.13Å; V984-V987 PolarHBondContact O-N 3.36Å; V984-V987 VanDerWaalsContact O-N 3.15Å; V987-F990 HydrophobicContact CG1-CE1 4.09Å; V987-F990 WeakPolarHBondContact O-CD1 3.27Å; V987-F990 WeakPolarHBondContact O-CE1 3.34Å; V987-Q991 WeakPolarHBondContact O-CG 3.49Å
988Q92.4Very high91.6Very high112 Ų11238.5 Ų38.552%0.52320%0.195SC..Hα-helixtrans-67.5-33.5175.3-65.31712.900113.1V984 T985 P986 R992V984-Q988 HydrophobicContact CG1-CG 4.23Å; V984-Q988 PolarHBondContact O-N 2.92Å; V984-Q988 VanDerWaalsContact O-N 3.15Å; T985-Q988 PolarHBondContact O-N 2.87Å; P986-Q988 VanDerWaalsContact C-N 3.26Å; P986-Q988 PolarHBondContact O-N 3.1Å; Q988-R992 WeakPolarHBondContact O-CB 3.3Å; Q988-R992 PolarHBondContact O-N 3.49Å
989R94.1Very high91.9Very high13 Ų1338.6 Ų38.65%0.04919%0.188CC..Hα-helixtrans-66.9-51.2-177.3-176.266.8-173.6161.53.2111.8L822 T825 E826 Y829 T985 P986 Q991 R992 Y993L822-R989 PolarHBondContact O-NH2 3.3Å; T825-R989 VanDerWaalsContact CB-NH1 3.32Å; T825-R989 PolarHBondContact OG1-NH1 2.94Å; T825-R989 PolarHBondContact OG1-NH2 3.03Å; E826-R989 IonicContact OE2-CZ 3.64Å; E826-R989 IonicContact OE2-NE 2.78Å; E826-R989 PolarHBondContact OE2-NE 3.19Å; E826-R989 IonicContact OE2-NH2 3.76Å; E826-R989 PolarHBondContact OE2-NH2 3.07Å; Y829-R989 HydrophobicContact CD1-CB 4.42Å; Y829-R989 HydrophobicContact CD1-CG 3.7Å; Y829-R989 HydrophobicContact CD2-CB 3.98Å; Y829-R989 HydrophobicContact CD2-CG 4.01Å; Y829-R989 HydrophobicContact CE1-CB 4.15Å; Y829-R989 HydrophobicContact CE1-CG 3.73Å; Y829-R989 HydrophobicContact CE2-CB 3.68Å; Y829-R989 HydrophobicContact CE2-CG 4.04Å; Y829-R989 HydrophobicContact CG-CB 4.33Å; Y829-R989 HydrophobicContact CG-CG 3.83Å; T985-R989 PolarHBondContact O-N 2.84Å; P986-R989 PolarHBondContact O-N 3.23Å; R989-Q991 VanDerWaalsContact C-N 3.33Å; R989-Q991 PolarHBondContact O-N 2.75Å; R989-R992 PolarHBondContact O-N 2.58Å; R989-Y993 HydrophobicContact CG-CE2 4.29Å; R989-Y993 PolarHBondContact NE-OH 2.99Å; R989-Y993 PolarHBondContact O-N 2.95Å
990F90Very high92.2Very high4 Ų438.5 Ų38.52%0.01819%0.187CC..Hα-helixtrans-66-39.4-176.488.3-90.8000111.7Y915 P986 V987 R992 Y993 L1023 C1024 V1027Y915-F990 HydrophobicContact CD1-CB 3.98Å; Y915-F990 AromaticContact CD1-CD1 3.36Å; Y915-F990 HydrophobicContact CD1-CD1 3.36Å; Y915-F990 HydrophobicContact CD1-CE1 4.06Å; Y915-F990 AromaticContact CD1-CG 3.88Å; Y915-F990 HydrophobicContact CD1-CG 3.88Å; Y915-F990 HydrophobicContact CD2-CB 3.98Å; Y915-F990 HydrophobicContact CD2-CG 4.4Å; Y915-F990 HydrophobicContact CE1-CB 3.92Å; Y915-F990 AromaticContact CE1-CD1 3.8Å; Y915-F990 HydrophobicContact CE1-CD1 3.8Å; Y915-F990 HydrophobicContact CE1-CG 4.24Å; Y915-F990 HydrophobicContact CE2-CB 3.93Å; Y915-F990 HydrophobicContact CG-CB 4.01Å; Y915-F990 AromaticContact CG-CD1 3.86Å; Y915-F990 HydrophobicContact CG-CD1 3.86Å; Y915-F990 AromaticContact CG-CG 3.96Å; Y915-F990 HydrophobicContact CG-CG 3.96Å; P986-F990 PolarHBondContact O-N 2.71Å; V987-F990 HydrophobicContact CG1-CE1 4.09Å; V987-F990 WeakPolarHBondContact O-CD1 3.27Å; V987-F990 WeakPolarHBondContact O-CE1 3.34Å; F990-R992 VanDerWaalsContact C-N 3.26Å; F990-R992 PolarHBondContact O-N 3.04Å; F990-Y993 HydrophobicContact CB-CD2 4.43Å; F990-Y993 PolarHBondContact O-N 3.19Å; F990-L1023 HydrophobicContact CD2-CD2 3.86Å; F990-L1023 HydrophobicContact CE2-CD2 4.35Å; F990-C1024 HydrophobicContact CE2-CB 4.43Å; F990-V1027 HydrophobicContact CE2-CB 4.37Å; F990-V1027 HydrophobicContact CE2-CG1 4.18Å; F990-V1027 HydrophobicContact CZ-CG1 3.93Å
991Q89.7Confident92.5Very high90 Ų9038.4 Ų38.442%0.42119%0.186SC..Hα-helixtrans-62-30.9172.8-68.3178.4-11.600112.5V987 R989 Y993 H994V987-Q991 WeakPolarHBondContact O-CG 3.49Å; R989-Q991 VanDerWaalsContact C-N 3.33Å; R989-Q991 PolarHBondContact O-N 2.75Å; Q991-Y993 VanDerWaalsContact C-N 3.33Å; Q991-Y993 PolarHBondContact O-N 2.9Å; Q991-H994 PolarHBondContact O-CD2 3.36Å
992R93.4Very high92.7Very high104 Ų10441.9 Ų41.939%0.39220%0.197SC..Hα-helixtrans-72.8-19.3178.1-170171.1177.5157.2-2.2113.8E821 Q988 R989 F990 H994 L995 L996E821-R992 IonicContact OE1-CZ 3.17Å; E821-R992 IonicContact OE1-NE 3.56Å; E821-R992 IonicContact OE1-NH2 2.83Å; E821-R992 PolarHBondContact OE1-NH2 3.27Å; Q988-R992 WeakPolarHBondContact O-CB 3.3Å; Q988-R992 PolarHBondContact O-N 3.49Å; R989-R992 PolarHBondContact O-N 2.58Å; F990-R992 VanDerWaalsContact C-N 3.26Å; F990-R992 PolarHBondContact O-N 3.04Å; R992-H994 VanDerWaalsContact C-N 3.35Å; R992-H994 PolarHBondContact O-N 3.42Å; R992-L995 PolarHBondContact O-N 2.92Å; R992-L996 HydrophobicContact CG-CD1 3.87Å; R992-L996 HydrophobicContact CG-CG 4.08Å; R992-L996 WeakPolarHBondContact O-CG 3.43Å; R992-L996 PolarHBondContact O-N 2.91Å; R992-L996 VanDerWaalsContact O-N 3.08Å
993Y94Very high92.7Very high13 Ų1343.8 Ų43.85%0.05121%0.206CC..Hα-helixtrans-62.1-39.5-179.7-70.3-53.3000112.9L822 E826 H882 L886 R989 F990 Q991 L995 L996 L997L822-Y993 HydrophobicContact CD1-CD1 4.06Å; L822-Y993 HydrophobicContact CD1-CE1 4.3Å; E826-Y993 VanDerWaalsContact CD-OH 3.28Å; E826-Y993 PolarHBondContact OE1-OH 2.74Å; E826-Y993 WeakPolarHBondContact OE2-CE1 3.49Å; E826-Y993 PolarHBondContact OE2-OH 3.45Å; H882-Y993 PolarHBondContact CE1-OH 3.22Å; H882-Y993 PolarHBondContact ND1-OH 2.73Å; L886-Y993 HydrophobicContact CD1-CE2 4.49Å; L886-Y993 WeakPolarHBondContact CD1-OH 3.45Å; R989-Y993 HydrophobicContact CG-CE2 4.29Å; R989-Y993 PolarHBondContact NE-OH 2.99Å; R989-Y993 PolarHBondContact O-N 2.95Å; F990-Y993 HydrophobicContact CB-CD2 4.43Å; F990-Y993 PolarHBondContact O-N 3.19Å; Q991-Y993 VanDerWaalsContact C-N 3.33Å; Q991-Y993 PolarHBondContact O-N 2.9Å; Y993-L995 VanDerWaalsContact C-N 3.34Å; Y993-L995 PolarHBondContact O-N 2.89Å; Y993-L996 PolarHBondContact O-N 3.49Å; Y993-L997 WeakPolarHBondContact O-CG 3.44Å; Y993-L997 PolarHBondContact O-N 3.02Å
994H93Very high92.7Very high49 Ų4945.1 Ų45.123%0.22721%0.212CC..Hα-helixtrans-63.9-41.5179.589.280.6000111.2Q991 R992 L996 L997 D998 H1017 I1020 L1021Q991-H994 PolarHBondContact O-CD2 3.36Å; R992-H994 VanDerWaalsContact C-N 3.35Å; R992-H994 PolarHBondContact O-N 3.42Å; H994-L996 VanDerWaalsContact C-N 3.34Å; H994-L996 PolarHBondContact O-N 3.35Å; H994-L997 PolarHBondContact O-N 3.5Å; H994-D998 WeakPolarHBondContact O-CB 3.29Å; H994-D998 PolarHBondContact O-N 3.31Å; H994-H1017 AromaticContact ND1-NE2 3.52Å; H994-H1017 PolarHBondContact O-CD2 3.49Å; H994-H1017 PolarHBondContact O-NE2 3.25Å; H994-I1020 HydrophobicContact CB-CB 4.47Å; H994-I1020 HydrophobicContact CB-CG2 3.87Å; H994-L1021 HydrophobicContact CB-CD2 3.9Å; H994-L1021 HydrophobicContact CB-CG 4.3Å
995L94.1Very high92.4Very high93 Ų9347.6 Ų47.649%0.48723%0.227SC..Hα-helixtrans-64-35175.9-61174.2000113.2R992 Y993 R999R992-L995 PolarHBondContact O-N 2.92Å; Y993-L995 VanDerWaalsContact C-N 3.34Å; Y993-L995 PolarHBondContact O-N 2.89Å; L995-R999 WeakPolarHBondContact O-CG 3.28Å; L995-R999 PolarHBondContact O-N 2.9Å
996L93.9Very high92.2Very high1 Ų148.9 Ų48.91%0.00523%0.233CC..Hα-helixtrans-74.7-36.9177.5-70.6166.5000111.8E821 L822 R992 Y993 H994 L1000E821-L996 HydrophobicContact CB-CD2 4.41Å; E821-L996 HydrophobicContact CG-CD2 3.91Å; L822-L996 HydrophobicContact CD1-CB 4.07Å; L822-L996 HydrophobicContact CD1-CD1 3.75Å; R992-L996 HydrophobicContact CG-CD1 3.87Å; R992-L996 HydrophobicContact CG-CG 4.08Å; R992-L996 WeakPolarHBondContact O-CG 3.43Å; R992-L996 PolarHBondContact O-N 2.91Å; R992-L996 VanDerWaalsContact O-N 3.08Å; Y993-L996 PolarHBondContact O-N 3.49Å; H994-L996 VanDerWaalsContact C-N 3.34Å; H994-L996 PolarHBondContact O-N 3.35Å; L996-L1000 PolarHBondContact O-N 3.45Å
997L93.5Very high91.9Very high6 Ų654.2 Ų54.23%0.03126%0.258CS..Hα-helixtrans-67.9-39.9172.2-68.7177.6000111.9L900 V904 Y993 H994 R999 L1000 V1001 A1016 H1017 I1020L900-L997 HydrophobicContact CD2-CD2 3.58Å; L900-L997 HydrophobicContact CG-CD2 4.26Å; V904-L997 HydrophobicContact CG2-CD1 4.36Å; Y993-L997 WeakPolarHBondContact O-CG 3.44Å; Y993-L997 PolarHBondContact O-N 3.02Å; H994-L997 PolarHBondContact O-N 3.5Å; L997-R999 VanDerWaalsContact C-N 3.33Å; L997-R999 PolarHBondContact O-N 3.32Å; L997-L1000 HydrophobicContact CD2-CD1 4.3Å; L997-L1000 WeakPolarHBondContact O-CB 3.49Å; L997-L1000 PolarHBondContact O-N 2.7Å; L997-V1001 WeakPolarHBondContact O-CG2 3.44Å; L997-V1001 PolarHBondContact O-N 3.14Å; L997-A1016 HydrophobicContact CD1-CB 4.23Å; L997-H1017 HydrophobicContact CB-CB 4.12Å; L997-I1020 HydrophobicContact CD1-CB 4.23Å; L997-I1020 HydrophobicContact CD1-CG1 3.57Å
998D94.5Very high91.7Very high49 Ų4959.8 Ų59.826%0.26229%0.287SS..Hα-helixtrans-62-40.2177-163.267.6000112H994 L1000 V1001 Q1002 H1017H994-D998 WeakPolarHBondContact O-CB 3.29Å; H994-D998 PolarHBondContact O-N 3.31Å; D998-L1000 VanDerWaalsContact C-N 3.26Å; D998-L1000 PolarHBondContact O-N 3.45Å; D998-V1001 WeakPolarHBondContact O-CB 3.41Å; D998-V1001 PolarHBondContact O-N 2.97Å; D998-V1001 VanDerWaalsContact O-N 3.15Å; D998-Q1002 WeakPolarHBondContact O-CB 3.39Å; D998-Q1002 VanDerWaalsContact O-CG 3.3Å; D998-Q1002 WeakPolarHBondContact O-CG 3.15Å; D998-Q1002 PolarHBondContact O-N 3.06Å; D998-Q1002 PolarHBondContact OD2-NE2 3.34Å; D998-H1017 IonicContact OD1-CE1 3.03Å; D998-H1017 PolarHBondContact OD1-CE1 3.25Å; D998-H1017 IonicContact OD1-ND1 3.86Å; D998-H1017 PolarHBondContact OD1-ND1 3.32Å
999R93Very high91.7Very high109 Ų10956.4 Ų56.441%0.41127%0.272SS..Hα-helixtrans-60.2-32.4172-74.3176.3-178.5179.62.5113.4A818 E821 L995 L997 H1003A818-R999 HydrophobicContact CB-CB 4.15Å; E821-R999 IonicContact OE1-NH1 3.98Å; E821-R999 PolarHBondContact OE1-NH1 3.32Å; E821-R999 IonicContact OE2-CZ 2.92Å; E821-R999 IonicContact OE2-NH1 2.67Å; E821-R999 PolarHBondContact OE2-NH1 3.4Å; L995-R999 WeakPolarHBondContact O-CG 3.28Å; L995-R999 PolarHBondContact O-N 2.9Å; L997-R999 VanDerWaalsContact C-N 3.33Å; L997-R999 PolarHBondContact O-N 3.32Å; R999-H1003 PolarHBondContact O-CD2 2.73Å; R999-H1003 VanDerWaalsContact O-CD2 3.31Å; R999-H1003 PolarHBondContact O-N 2.85Å
1000L93.8Very high91.6Very high0 Ų058.7 Ų58.70%028%0.281CS..Hα-helixtrans-71.4-45.5173.1-67.1167.1000110.6Y815 A818 W819 L822 L900 L996 L997 D998 Q1002 H1003 E1004 L1013Y815-L1000 HydrophobicContact CD2-CB 4.33Å; Y815-L1000 HydrophobicContact CD2-CD2 3.76Å; Y815-L1000 HydrophobicContact CE1-CD2 4.35Å; Y815-L1000 HydrophobicContact CE2-CB 3.86Å; Y815-L1000 HydrophobicContact CE2-CD2 3.56Å; Y815-L1000 HydrophobicContact CE2-CG 4.3Å; Y815-L1000 HydrophobicContact CG-CD2 4.24Å; A818-L1000 HydrophobicContact CB-CD2 3.89Å; A818-L1000 HydrophobicContact CB-CG 4.37Å; W819-L1000 HydrophobicContact CB-CD2 4.12Å; W819-L1000 HydrophobicContact CE3-CD1 4.23Å; L822-L1000 HydrophobicContact CD2-CD1 4.04Å; L900-L1000 HydrophobicContact CD2-CD1 4.05Å; L996-L1000 PolarHBondContact O-N 3.45Å; L997-L1000 HydrophobicContact CD2-CD1 4.3Å; L997-L1000 WeakPolarHBondContact O-CB 3.49Å; L997-L1000 PolarHBondContact O-N 2.7Å; D998-L1000 VanDerWaalsContact C-N 3.26Å; D998-L1000 PolarHBondContact O-N 3.45Å; L1000-Q1002 VanDerWaalsContact C-N 3.3Å; L1000-Q1002 PolarHBondContact O-N 3.22Å; L1000-H1003 PolarHBondContact O-N 3.39Å; L1000-H1003 VanDerWaalsContact O-N 3.08Å; L1000-E1004 PolarHBondContact O-N 2.88Å; L1000-L1013 HydrophobicContact CB-CD1 4.19Å; L1000-L1013 HydrophobicContact CB-CD2 4.21Å
1001V93.9Very high91.8Very high15 Ų1561.7 Ų61.79%0.09130%0.302CS..Hα-helixtrans-55.3-43.7173.81740000111.8L997 D998 H1003 R1010 L1013 Q1014L997-V1001 WeakPolarHBondContact O-CG2 3.44Å; L997-V1001 PolarHBondContact O-N 3.14Å; D998-V1001 WeakPolarHBondContact O-CB 3.41Å; D998-V1001 PolarHBondContact O-N 2.97Å; D998-V1001 VanDerWaalsContact O-N 3.15Å; V1001-H1003 PolarHBondContact O-N 2.66Å; V1001-R1010 HydrophobicContact CG1-CG 4Å; V1001-L1013 HydrophobicContact CG2-CB 3.55Å; V1001-Q1014 HydrophobicContact CG1-CG 3.68Å; V1001-Q1014 HydrophobicContact CG2-CG 4.04Å
1002Q91.8Very high91.9Very high122 Ų12259.4 Ų59.457%0.5729%0.292SS*.THydrogen-bonded Turntrans-67.3-14.1179.2-72.2179.930.300114.4D998 L1000D998-Q1002 WeakPolarHBondContact O-CB 3.39Å; D998-Q1002 VanDerWaalsContact O-CG 3.3Å; D998-Q1002 WeakPolarHBondContact O-CG 3.15Å; D998-Q1002 PolarHBondContact O-N 3.06Å; D998-Q1002 PolarHBondContact OD2-NE2 3.34Å; L1000-Q1002 VanDerWaalsContact C-N 3.3Å; L1000-Q1002 PolarHBondContact O-N 3.22Å
1003H90.3Very high92Very high43 Ų4354.5 Ų54.520%0.19927%0.274CS..THydrogen-bonded Turntrans-120.3-10.4-174.4-65-12.8000113.6R814 Y815 R999 L1000 V1001R814-H1003 HydrophobicContact CB-CB 4.24Å; R814-H1003 WeakPolarHBondContact CB-CD2 3.44Å; Y815-H1003 HydrophobicContact CD2-CB 4.43Å; R999-H1003 PolarHBondContact O-CD2 2.73Å; R999-H1003 VanDerWaalsContact O-CD2 3.31Å; R999-H1003 PolarHBondContact O-N 2.85Å; L1000-H1003 PolarHBondContact O-N 3.39Å; L1000-H1003 VanDerWaalsContact O-N 3.08Å; V1001-H1003 PolarHBondContact O-N 2.66Å
1004E91Very high92Very high28 Ų2858.3 Ų58.313%0.13129%0.292CS..  trans-71.8137.8171-173.549.1-102.300111.6Y815 L1000 N1006 D1009 R1010 L1013Y815-E1004 HydrophobicContact CD2-CB 4.33Å; Y815-E1004 HydrophobicContact CE2-CB 4.25Å; L1000-E1004 PolarHBondContact O-N 2.88Å; E1004-N1006 PolarHBondContact OE1-N 2.99Å; E1004-D1009 HydrophobicContact CG-CB 3.71Å; E1004-R1010 HydrophobicContact CB-CB 4.42Å; E1004-R1010 HydrophobicContact CG-CB 4.21Å; E1004-R1010 PolarHBondContact O-NE 3.03Å; E1004-R1010 PolarHBondContact O-NH2 3.48Å; E1004-L1013 HydrophobicContact CB-CD1 3.86Å; E1004-L1013 HydrophobicContact CG-CD1 4.13Å
1005T86Confident92Very high94 Ų9458.4 Ų58.458%0.57730%0.298SS*.  trans-105.6-22.4-178.748.40000113.9P811P811-T1005 HydrophobicContact CB-CG2 3.59Å; P811-T1005 HydrophobicContact CG-CG2 3.97Å
1006N88.6Confident92Very high66 Ų6654 Ų5435%0.35328%0.276SS..  trans-85.8125174.1-178.37.9000110.6E1004 L1008 D1009 R1010E1004-N1006 PolarHBondContact OE1-N 2.99Å; N1006-L1008 VanDerWaalsContact C-N 3.25Å; N1006-L1008 PolarHBondContact O-N 3.01Å; N1006-L1008 PolarHBondContact OD1-N 3.44Å; N1006-L1008 VanDerWaalsContact OD1-N 3.13Å; N1006-D1009 HydrophobicContact CB-CB 4.2Å; N1006-D1009 PolarHBondContact ND2-OD2 3.38Å; N1006-D1009 PolarHBondContact O-N 3.34Å; N1006-R1010 VanDerWaalsContact O-CB 3.3Å; N1006-R1010 WeakPolarHBondContact O-CB 3.34Å; N1006-R1010 PolarHBondContact O-N 2.92Å
1007E87.4Confident92Very high112 Ų11255.3 Ų55.352%0.52328%0.281SS..Hα-helixtrans-63.4-28.9179-59.4-57152.700113.1R1010 C1011E1007-R1010 IonicContact OE1-CZ 3.08Å; E1007-R1010 IonicContact OE1-NH1 2.97Å; E1007-R1010 PolarHBondContact OE1-NH1 3.43Å; E1007-R1010 IonicContact OE1-NH2 3.18Å; E1007-R1010 IonicContact OE2-CZ 3.99Å; E1007-R1010 IonicContact OE2-NH1 3.85Å; E1007-R1010 PolarHBondContact OE2-NH1 2.91Å; E1007-C1011 WeakPolarHBondContact O-CB 3.42Å; E1007-C1011 PolarHBondContact O-N 3.19Å; E1007-C1011 PolarHBondContact O-SG 2.69Å
1008L88.6Confident92.1Very high133 Ų13361 Ų6170%0.69631%0.306SS*.Hα-helixtrans-68.5-53.4176.4-71.4166.7000111.3N1006 R1010 C1011 D1012N1006-L1008 VanDerWaalsContact C-N 3.25Å; N1006-L1008 PolarHBondContact O-N 3.01Å; N1006-L1008 PolarHBondContact OD1-N 3.44Å; N1006-L1008 VanDerWaalsContact OD1-N 3.13Å; L1008-R1010 VanDerWaalsContact C-N 3.27Å; L1008-R1010 PolarHBondContact O-N 3.33Å; L1008-C1011 WeakPolarHBondContact O-CB 3.18Å; L1008-C1011 PolarHBondContact O-N 2.68Å; L1008-D1012 PolarHBondContact O-N 2.97Å
1009D91.2Very high92Very high41 Ų4159.7 Ų59.722%0.21930%0.301CS..Hα-helixtrans-62.2-36.5176.2-68.3-62000110.9A897 E1004 N1006 D1012 L1013A897-D1009 HydrophobicContact CB-CB 3.62Å; A897-D1009 WeakPolarHBondContact CB-O 3.44Å; A897-D1009 WeakPolarHBondContact CB-OD1 3.36Å; E1004-D1009 HydrophobicContact CG-CB 3.71Å; N1006-D1009 HydrophobicContact CB-CB 4.2Å; N1006-D1009 PolarHBondContact ND2-OD2 3.38Å; N1006-D1009 PolarHBondContact O-N 3.34Å; D1009-D1012 PolarHBondContact O-N 2.91Å; D1009-L1013 VanDerWaalsContact O-CG 3.28Å; D1009-L1013 WeakPolarHBondContact O-CG 3.27Å; D1009-L1013 PolarHBondContact O-N 3.23Å
1010R92.6Very high92.1Very high60 Ų6054.7 Ų54.723%0.22628%0.283CS..Hα-helixtrans-64.2-43.8174.7-167.5-172.4-65.81444.3112.3V1001 E1004 N1006 E1007 L1008 D1012 L1013 Q1014V1001-R1010 HydrophobicContact CG1-CG 4Å; E1004-R1010 HydrophobicContact CB-CB 4.42Å; E1004-R1010 HydrophobicContact CG-CB 4.21Å; E1004-R1010 PolarHBondContact O-NE 3.03Å; E1004-R1010 PolarHBondContact O-NH2 3.48Å; N1006-R1010 VanDerWaalsContact O-CB 3.3Å; N1006-R1010 WeakPolarHBondContact O-CB 3.34Å; N1006-R1010 PolarHBondContact O-N 2.92Å; E1007-R1010 IonicContact OE1-CZ 3.08Å; E1007-R1010 IonicContact OE1-NH1 2.97Å; E1007-R1010 PolarHBondContact OE1-NH1 3.43Å; E1007-R1010 IonicContact OE1-NH2 3.18Å; E1007-R1010 IonicContact OE2-CZ 3.99Å; E1007-R1010 IonicContact OE2-NH1 3.85Å; E1007-R1010 PolarHBondContact OE2-NH1 2.91Å; L1008-R1010 VanDerWaalsContact C-N 3.27Å; L1008-R1010 PolarHBondContact O-N 3.33Å; R1010-D1012 VanDerWaalsContact C-N 3.26Å; R1010-D1012 PolarHBondContact O-N 3.06Å; R1010-L1013 PolarHBondContact O-N 3.49Å; R1010-Q1014 HydrophobicContact CG-CG 4.46Å; R1010-Q1014 WeakPolarHBondContact O-CB 3.23Å; R1010-Q1014 VanDerWaalsContact O-CG 3.26Å; R1010-Q1014 WeakPolarHBondContact O-CG 3.44Å; R1010-Q1014 PolarHBondContact O-N 3.09Å
1011C92.9Very high92.1Very high68 Ų6857.9 Ų57.946%0.45930%0.3SS..Hα-helixtrans-59.5-37.8173.5-78.80000111.9E1007 L1008 S1015E1007-C1011 WeakPolarHBondContact O-CB 3.42Å; E1007-C1011 PolarHBondContact O-N 3.19Å; E1007-C1011 PolarHBondContact O-SG 2.69Å; L1008-C1011 WeakPolarHBondContact O-CB 3.18Å; L1008-C1011 PolarHBondContact O-N 2.68Å; C1011-S1015 WeakPolarHBondContact O-CB 3.19Å; C1011-S1015 PolarHBondContact O-N 3.04Å; C1011-S1015 PolarHBondContact O-OG 3.43Å
1012D93.2Very high92Very high42 Ų4260 Ų6023%0.22531%0.308CS..Hα-helixtrans-70.3-42.5177-84.30.8000112.4A897 G898 K901 L1008 D1009 R1010 S1015 A1016A897-D1012 HydrophobicContact CB-CB 4.13Å; G898-D1012 VanDerWaalsContact CA-OD2 3.29Å; G898-D1012 WeakPolarHBondContact CA-OD2 3.03Å; K901-D1012 HydrophobicContact CB-CB 4.22Å; K901-D1012 HydrophobicContact CD-CB 3.73Å; K901-D1012 WeakPolarHBondContact CD-OD1 3.33Å; K901-D1012 WeakPolarHBondContact CE-OD1 3.42Å; K901-D1012 IonicContact NZ-OD1 3.72Å; K901-D1012 PolarHBondContact NZ-OD1 2.84Å; L1008-D1012 PolarHBondContact O-N 2.97Å; D1009-D1012 PolarHBondContact O-N 2.91Å; R1010-D1012 VanDerWaalsContact C-N 3.26Å; R1010-D1012 PolarHBondContact O-N 3.06Å; D1012-S1015 WeakPolarHBondContact O-CB 3.47Å; D1012-S1015 PolarHBondContact O-N 3.26Å; D1012-A1016 PolarHBondContact O-N 3.06Å
1013L94.4Very high92Very high0 Ų054.3 Ų54.30%028%0.282CS..Hα-helixtrans-65.6-36.8173.7-67.6166.7000112.5Y815 A897 L900 L1000 V1001 E1004 D1009 R1010 A1016 H1017Y815-L1013 HydrophobicContact CE2-CD1 3.79Å; A897-L1013 HydrophobicContact CB-CD1 4.2Å; A897-L1013 HydrophobicContact CB-CD2 4.01Å; A897-L1013 HydrophobicContact CB-CG 3.69Å; L900-L1013 HydrophobicContact CD2-CD2 3.79Å; L1000-L1013 HydrophobicContact CB-CD1 4.19Å; L1000-L1013 HydrophobicContact CB-CD2 4.21Å; V1001-L1013 HydrophobicContact CG2-CB 3.55Å; E1004-L1013 HydrophobicContact CB-CD1 3.86Å; E1004-L1013 HydrophobicContact CG-CD1 4.13Å; D1009-L1013 VanDerWaalsContact O-CG 3.28Å; D1009-L1013 WeakPolarHBondContact O-CG 3.27Å; D1009-L1013 PolarHBondContact O-N 3.23Å; R1010-L1013 PolarHBondContact O-N 3.49Å; L1013-A1016 PolarHBondContact O-N 3.12Å; L1013-H1017 WeakPolarHBondContact O-CB 3.45Å; L1013-H1017 PolarHBondContact O-N 2.7Å
1014Q94.9Very high92.1Very high93 Ų9353.4 Ų53.444%0.43528%0.28SS..Hα-helixtrans-65.4-39.1173-76.5174.5-5.200111.6V1001 R1010 A1016 H1017 K1018V1001-Q1014 HydrophobicContact CG1-CG 3.68Å; V1001-Q1014 HydrophobicContact CG2-CG 4.04Å; R1010-Q1014 HydrophobicContact CG-CG 4.46Å; R1010-Q1014 WeakPolarHBondContact O-CB 3.23Å; R1010-Q1014 VanDerWaalsContact O-CG 3.26Å; R1010-Q1014 WeakPolarHBondContact O-CG 3.44Å; R1010-Q1014 PolarHBondContact O-N 3.09Å; Q1014-A1016 VanDerWaalsContact C-N 3.34Å; Q1014-H1017 PolarHBondContact O-N 2.69Å; Q1014-K1018 WeakPolarHBondContact O-CB 3.34Å; Q1014-K1018 PolarHBondContact O-N 3.14Å
1015S92.6Very high92.2Very high52 Ų5257.4 Ų57.436%0.36430%0.299SS..Hα-helixtrans-60.3-44.8172.6-55.30000111C1011 D1012 A1019C1011-S1015 WeakPolarHBondContact O-CB 3.19Å; C1011-S1015 PolarHBondContact O-N 3.04Å; C1011-S1015 PolarHBondContact O-OG 3.43Å; D1012-S1015 WeakPolarHBondContact O-CB 3.47Å; D1012-S1015 PolarHBondContact O-N 3.26Å; S1015-A1019 PolarHBondContact O-N 2.89Å; S1015-A1019 VanDerWaalsContact O-N 3.13Å
1016A94.2Very high92.5Very high1 Ų153.1 Ų53.11%0.00827%0.273CS..Hα-helixtrans-64.6-45.1176.600000112.4V904 L997 D1012 L1013 Q1014 K1018 A1019 I1020V904-A1016 HydrophobicContact CB-CB 4.27Å; V904-A1016 HydrophobicContact CG1-CB 4.49Å; V904-A1016 HydrophobicContact CG2-CB 4.05Å; L997-A1016 HydrophobicContact CD1-CB 4.23Å; D1012-A1016 PolarHBondContact O-N 3.06Å; L1013-A1016 PolarHBondContact O-N 3.12Å; Q1014-A1016 VanDerWaalsContact C-N 3.34Å; A1016-K1018 PolarHBondContact O-N 3.05Å; A1016-A1019 PolarHBondContact O-N 3.41Å; A1016-I1020 PolarHBondContact O-N 2.9Å; A1016-I1020 VanDerWaalsContact O-N 3.16Å
1017H94.7Very high92.7Very high28 Ų2850 Ų5013%0.1326%0.256CS..Hα-helixtrans-60.2-45.9177.4-178.1-162000111.1H994 L997 D998 L1013 Q1014 A1019 I1020 L1021H994-H1017 AromaticContact ND1-NE2 3.52Å; H994-H1017 PolarHBondContact O-CD2 3.49Å; H994-H1017 PolarHBondContact O-NE2 3.25Å; L997-H1017 HydrophobicContact CB-CB 4.12Å; D998-H1017 IonicContact OD1-CE1 3.03Å; D998-H1017 PolarHBondContact OD1-CE1 3.25Å; D998-H1017 IonicContact OD1-ND1 3.86Å; D998-H1017 PolarHBondContact OD1-ND1 3.32Å; L1013-H1017 WeakPolarHBondContact O-CB 3.45Å; L1013-H1017 PolarHBondContact O-N 2.7Å; Q1014-H1017 PolarHBondContact O-N 2.69Å; H1017-A1019 PolarHBondContact O-N 3.11Å; H1017-I1020 PolarHBondContact O-N 3.02Å; H1017-L1021 PolarHBondContact O-N 2.93Å
1018K94.5Very high92.8Very high126 Ų12646.9 Ų46.955%0.54824%0.243SC..Hα-helixtrans-58-44.6176.6-175.2173.2-178-70.40112.4Q1014 A1016 I1020 L1021 E1022Q1014-K1018 WeakPolarHBondContact O-CB 3.34Å; Q1014-K1018 PolarHBondContact O-N 3.14Å; A1016-K1018 PolarHBondContact O-N 3.05Å; K1018-I1020 VanDerWaalsContact C-N 3.34Å; K1018-I1020 PolarHBondContact O-N 3.16Å; K1018-L1021 PolarHBondContact O-N 2.83Å; K1018-E1022 IonicContact NZ-OE1 3.07Å; K1018-E1022 PolarHBondContact NZ-OE1 3.23Å; K1018-E1022 WeakPolarHBondContact O-CG 3.49Å; K1018-E1022 PolarHBondContact O-N 3.08Å
1019A93.4Very high93Very high20 Ų2041.2 Ų41.217%0.16521%0.213CC..Hα-helixtrans-65.1-33.3178.300000113.3V904 V908 S1015 A1016 H1017 L1023V904-A1019 HydrophobicContact CG1-CB 3.75Å; V908-A1019 HydrophobicContact CG2-CB 4.36Å; S1015-A1019 PolarHBondContact O-N 2.89Å; S1015-A1019 VanDerWaalsContact O-N 3.13Å; A1016-A1019 PolarHBondContact O-N 3.41Å; H1017-A1019 PolarHBondContact O-N 3.11Å; A1019-L1023 WeakPolarHBondContact O-CB 3.39Å; A1019-L1023 PolarHBondContact O-N 3.22Å
1020I93.9Very high92.9Very high5 Ų539.3 Ų39.33%0.02620%0.203CC..Hα-helixtrans-74.6-31.7173.5-61.4-58.9000112.1V904 V908 H994 L997 A1016 H1017 K1018 L1023 C1024V904-I1020 HydrophobicContact CG1-CD1 3.81Å; V904-I1020 HydrophobicContact CG1-CG1 3.98Å; V904-I1020 HydrophobicContact CG2-CD1 4.33Å; V904-I1020 HydrophobicContact CG2-CG1 4.36Å; V908-I1020 HydrophobicContact CG2-CD1 4.02Å; H994-I1020 HydrophobicContact CB-CB 4.47Å; H994-I1020 HydrophobicContact CB-CG2 3.87Å; L997-I1020 HydrophobicContact CD1-CB 4.23Å; L997-I1020 HydrophobicContact CD1-CG1 3.57Å; A1016-I1020 PolarHBondContact O-N 2.9Å; A1016-I1020 VanDerWaalsContact O-N 3.16Å; H1017-I1020 PolarHBondContact O-N 3.02Å; K1018-I1020 VanDerWaalsContact C-N 3.34Å; K1018-I1020 PolarHBondContact O-N 3.16Å; I1020-L1023 HydrophobicContact CD1-CD1 4.34Å; I1020-L1023 WeakPolarHBondContact O-CB 3.41Å; I1020-L1023 PolarHBondContact O-N 3.29Å; I1020-C1024 PolarHBondContact O-N 2.95Å; I1020-C1024 PolarHBondContact O-SG 2.97Å; I1020-C1024 VanDerWaalsContact O-SG 3.33Å
1021L93.4Very high92.7Very high66 Ų6638.4 Ų38.435%0.34620%0.202SC..Hα-helixtrans-65.5-46.8171.3-70.2171.5000111.4H994 H1017 K1018 L1023 C1024 E1025H994-L1021 HydrophobicContact CB-CD2 3.9Å; H994-L1021 HydrophobicContact CB-CG 4.3Å; H1017-L1021 PolarHBondContact O-N 2.93Å; K1018-L1021 PolarHBondContact O-N 2.83Å; L1021-L1023 VanDerWaalsContact C-N 3.28Å; L1021-L1023 PolarHBondContact O-N 3.41Å; L1021-C1024 WeakPolarHBondContact O-CB 3.48Å; L1021-C1024 PolarHBondContact O-N 3.17Å; L1021-E1025 PolarHBondContact O-N 3.08Å
1022E92Very high92.4Very high59 Ų5938.3 Ų38.328%0.27620%0.195SC..Hα-helixtrans-59-38.2174.9-73.9171-176.100112.2K1018 T1026 P1045K1018-E1022 IonicContact NZ-OE1 3.07Å; K1018-E1022 PolarHBondContact NZ-OE1 3.23Å; K1018-E1022 WeakPolarHBondContact O-CG 3.49Å; K1018-E1022 PolarHBondContact O-N 3.08Å; E1022-T1026 VanDerWaalsContact O-CB 3.24Å; E1022-T1026 WeakPolarHBondContact O-CB 3.41Å; E1022-T1026 PolarHBondContact O-N 3.4Å; E1022-T1026 PolarHBondContact O-OG1 3.13Å; E1022-P1045 HydrophobicContact CB-CB 4.43Å
1023L92.9Very high92.2Very high4 Ų436.4 Ų36.42%0.02118%0.184CC..Hα-helixtrans-61.1-46.5171.2170.9156.4000112.1V908 L911 V912 F990 A1019 I1020 L1021 E1025 T1026 V1027V908-L1023 HydrophobicContact CB-CD1 4.19Å; V908-L1023 HydrophobicContact CG1-CB 4.4Å; V908-L1023 HydrophobicContact CG1-CD1 4.22Å; V908-L1023 HydrophobicContact CG2-CB 4.43Å; V908-L1023 HydrophobicContact CG2-CD1 3.84Å; L911-L1023 HydrophobicContact CB-CD1 3.51Å; L911-L1023 HydrophobicContact CD1-CD1 3.98Å; L911-L1023 HydrophobicContact CG-CD1 4.4Å; V912-L1023 HydrophobicContact CG2-CB 4.22Å; V912-L1023 HydrophobicContact CG2-CD1 4.09Å; V912-L1023 HydrophobicContact CG2-CG 3.76Å; F990-L1023 HydrophobicContact CD2-CD2 3.86Å; F990-L1023 HydrophobicContact CE2-CD2 4.35Å; A1019-L1023 WeakPolarHBondContact O-CB 3.39Å; A1019-L1023 PolarHBondContact O-N 3.22Å; I1020-L1023 HydrophobicContact CD1-CD1 4.34Å; I1020-L1023 WeakPolarHBondContact O-CB 3.41Å; I1020-L1023 PolarHBondContact O-N 3.29Å; L1021-L1023 VanDerWaalsContact C-N 3.28Å; L1021-L1023 PolarHBondContact O-N 3.41Å; L1023-E1025 VanDerWaalsContact C-N 3.35Å; L1023-E1025 PolarHBondContact O-N 2.89Å; L1023-T1026 PolarHBondContact O-N 3.23Å; L1023-V1027 HydrophobicContact CD2-CG2 4.37Å; L1023-V1027 HydrophobicContact CG-CG2 4.49Å; L1023-V1027 WeakPolarHBondContact O-CB 3.32Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.15Å; L1023-V1027 PolarHBondContact O-N 3.32Å
1024C92.9Very high91.9Very high23 Ų2342.2 Ų42.216%0.15521%0.206CC..Hα-helixtrans-62.2-41.9-179.9-75.30000111.9F990 I1020 L1021 N1028F990-C1024 HydrophobicContact CE2-CB 4.43Å; I1020-C1024 PolarHBondContact O-N 2.95Å; I1020-C1024 PolarHBondContact O-SG 2.97Å; I1020-C1024 VanDerWaalsContact O-SG 3.33Å; L1021-C1024 WeakPolarHBondContact O-CB 3.48Å; L1021-C1024 PolarHBondContact O-N 3.17Å; C1024-N1028 VanDerWaalsContact O-CB 3.24Å; C1024-N1028 WeakPolarHBondContact O-CB 3.44Å; C1024-N1028 PolarHBondContact O-N 2.96Å
1025E91.6Very high91.4Very high112 Ų11240.8 Ų40.852%0.52322%0.217SC..Hα-helixtrans-65.6-44.9173.9-67.1-173.5169.900111.7L1021 L1023 V1027 N1028 I1029L1021-E1025 PolarHBondContact O-N 3.08Å; L1023-E1025 VanDerWaalsContact C-N 3.35Å; L1023-E1025 PolarHBondContact O-N 2.89Å; E1025-V1027 PolarHBondContact O-N 3.45Å; E1025-N1028 PolarHBondContact O-N 2.89Å; E1025-N1028 VanDerWaalsContact O-N 3.16Å; E1025-I1029 WeakPolarHBondContact O-CG1 3.4Å; E1025-I1029 PolarHBondContact O-N 3.48Å
1026T92.6Very high91Very high4 Ų439.9 Ų39.93%0.02521%0.208CC..Hα-helixtrans-62.2-44.7-179.8-57.80000111.8V912 E1022 L1023 I1029 A1030 F1046 F1072V912-T1026 HydrophobicContact CG1-CG2 4.1Å; E1022-T1026 VanDerWaalsContact O-CB 3.24Å; E1022-T1026 WeakPolarHBondContact O-CB 3.41Å; E1022-T1026 PolarHBondContact O-N 3.4Å; E1022-T1026 PolarHBondContact O-OG1 3.13Å; L1023-T1026 PolarHBondContact O-N 3.23Å; T1026-I1029 PolarHBondContact O-N 3.35Å; T1026-A1030 WeakPolarHBondContact O-CB 3.43Å; T1026-A1030 PolarHBondContact O-N 3.1Å; T1026-F1046 PolarHBondContact OG1-N 3.3Å; T1026-F1046 VanDerWaalsContact OG1-N 3.13Å; T1026-F1072 HydrophobicContact CG2-CE1 4.37Å
1027V92.2Very high90.6Very high0 Ų044.5 Ų44.50%024%0.24CC..Hα-helixtrans-62.5-41173.8169.80000111.3V912 F990 L1023 E1025 I1029 A1030 M1031V912-V1027 HydrophobicContact CB-CG2 4.44Å; V912-V1027 HydrophobicContact CG2-CG2 4.33Å; F990-V1027 HydrophobicContact CE2-CB 4.37Å; F990-V1027 HydrophobicContact CE2-CG1 4.18Å; F990-V1027 HydrophobicContact CZ-CG1 3.93Å; L1023-V1027 HydrophobicContact CD2-CG2 4.37Å; L1023-V1027 HydrophobicContact CG-CG2 4.49Å; L1023-V1027 WeakPolarHBondContact O-CB 3.32Å; L1023-V1027 WeakPolarHBondContact O-CG2 3.15Å; L1023-V1027 PolarHBondContact O-N 3.32Å; E1025-V1027 PolarHBondContact O-N 3.45Å; V1027-I1029 PolarHBondContact O-N 2.88Å; V1027-A1030 PolarHBondContact O-N 3.41Å; V1027-M1031 HydrophobicContact CG1-CE 4.27Å; V1027-M1031 WeakPolarHBondContact O-CB 3.37Å; V1027-M1031 WeakPolarHBondContact O-CG 3.29Å; V1027-M1031 PolarHBondContact O-N 2.97Å
1028N90.6Very high90.1Very high47 Ų4746 Ų4625%0.25125%0.251SS..Hα-helixtrans-66.4-34.4-179.2-177.366000113.6C1024 E1025 Q1032C1024-N1028 VanDerWaalsContact O-CB 3.24Å; C1024-N1028 WeakPolarHBondContact O-CB 3.44Å; C1024-N1028 PolarHBondContact O-N 2.96Å; E1025-N1028 PolarHBondContact O-N 2.89Å; E1025-N1028 VanDerWaalsContact O-N 3.16Å; N1028-Q1032 PolarHBondContact O-NE2 3.19Å
1029I91.5Very high89.7Confident15 Ų1545 Ų458%0.07724%0.243CC..Hα-helixtrans-76.5-50170.3-59.8-59.9000110.4E1025 T1026 V1027 M1031 Q1032 F1046 F1070 F1072E1025-I1029 WeakPolarHBondContact O-CG1 3.4Å; E1025-I1029 PolarHBondContact O-N 3.48Å; T1026-I1029 PolarHBondContact O-N 3.35Å; V1027-I1029 PolarHBondContact O-N 2.88Å; I1029-M1031 VanDerWaalsContact C-N 3.28Å; I1029-M1031 PolarHBondContact O-N 3.35Å; I1029-Q1032 WeakPolarHBondContact O-CB 3.36Å; I1029-Q1032 PolarHBondContact O-N 3.03Å; I1029-F1046 HydrophobicContact CD1-CE1 4.47Å; I1029-F1046 HydrophobicContact CD1-CZ 4.43Å; I1029-F1046 HydrophobicContact CG1-CD1 4.01Å; I1029-F1046 HydrophobicContact CG1-CD2 4.11Å; I1029-F1046 HydrophobicContact CG1-CE1 4.2Å; I1029-F1046 HydrophobicContact CG1-CE2 4.3Å; I1029-F1046 HydrophobicContact CG1-CG 3.96Å; I1029-F1046 HydrophobicContact CG1-CZ 4.34Å; I1029-F1046 HydrophobicContact CG2-CD2 4.37Å; I1029-F1070 HydrophobicContact CD1-CE1 4.37Å; I1029-F1070 HydrophobicContact CG2-CD1 3.57Å; I1029-F1070 HydrophobicContact CG2-CE1 3.65Å; I1029-F1070 HydrophobicContact CG2-CG 4.37Å; I1029-F1070 HydrophobicContact CG2-CZ 4.5Å; I1029-F1072 HydrophobicContact CG2-CE1 4.45Å; I1029-F1072 HydrophobicContact CG2-CZ 3.82Å
1030A89.9Confident89.5Confident0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-67.9-22-171.500000114.4T916 T1026 V1027 Q1032 L1033 P1040T916-A1030 HydrophobicContact CG2-CB 3.71Å; T1026-A1030 WeakPolarHBondContact O-CB 3.43Å; T1026-A1030 PolarHBondContact O-N 3.1Å; V1027-A1030 PolarHBondContact O-N 3.41Å; A1030-Q1032 VanDerWaalsContact C-N 3.27Å; A1030-Q1032 PolarHBondContact O-N 2.75Å; A1030-L1033 PolarHBondContact O-N 3.46Å; A1030-P1040 HydrophobicContact CB-CB 4.24Å
1031M87.5Confident89.4Confident41 Ų4145.6 Ų45.620%0.20225%0.247CC..THydrogen-bonded Turntrans-69-24.5171.472.6165.693.500113.3C919 V1027 I1029C919-M1031 HydrophobicContact CB-CB 4.28Å; C919-M1031 HydrophobicContact CB-CE 3.44Å; C919-M1031 VanDerWaalsContact CB-CE 3.44Å; C919-M1031 HydrophobicContact CB-SD 3.66Å; V1027-M1031 HydrophobicContact CG1-CE 4.27Å; V1027-M1031 WeakPolarHBondContact O-CB 3.37Å; V1027-M1031 WeakPolarHBondContact O-CG 3.29Å; V1027-M1031 PolarHBondContact O-N 2.97Å; I1029-M1031 VanDerWaalsContact C-N 3.28Å; I1029-M1031 PolarHBondContact O-N 3.35Å
1032Q87.9Confident89.4Confident67 Ų6744.8 Ų44.831%0.31325%0.25SC..THydrogen-bonded Turntrans-89.2-10.5179.6-54.9179.635.100113N1028 I1029 A1030 Y1169 Y1170N1028-Q1032 PolarHBondContact O-NE2 3.19Å; I1029-Q1032 WeakPolarHBondContact O-CB 3.36Å; I1029-Q1032 PolarHBondContact O-N 3.03Å; A1030-Q1032 VanDerWaalsContact C-N 3.27Å; A1030-Q1032 PolarHBondContact O-N 2.75Å; Q1032-Y1169 WeakPolarHBondContact O-CB 3.37Å; Q1032-Y1170 HydrophobicContact CB-CD2 4.21Å; Q1032-Y1170 PolarHBondContact O-N 3.14Å
1033L89.3Confident89.4Confident1 Ų142 Ų421%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-81.7137.5178.7-62179.7000111.4A1030 L1036 L1043 F1070 F1072 L1077 T1079 I1172A1030-L1033 PolarHBondContact O-N 3.46Å; L1033-L1036 HydrophobicContact CB-CD1 4.13Å; L1033-L1036 HydrophobicContact CB-CG 4.24Å; L1033-L1036 HydrophobicContact CD1-CD1 4.2Å; L1033-L1036 HydrophobicContact CD1-CD2 4.1Å; L1033-L1036 HydrophobicContact CD1-CG 4.34Å; L1033-L1043 HydrophobicContact CD1-CD1 4.37Å; L1033-F1070 HydrophobicContact CD2-CD2 4.03Å; L1033-F1070 HydrophobicContact CD2-CE2 3.84Å; L1033-F1070 HydrophobicContact CD2-CZ 4.33Å; L1033-F1072 HydrophobicContact CD1-CE2 4.44Å; L1033-F1072 HydrophobicContact CD1-CZ 4.11Å; L1033-L1077 HydrophobicContact CD1-CD1 3.58Å; L1033-T1079 HydrophobicContact CD2-CG2 4.38Å; L1033-I1172 HydrophobicContact CB-CD1 4.26Å
1034R88Confident89.3Confident122 Ų12242.4 Ų42.446%0.4624%0.242SC..EExtended strand (participates in β ladder)trans-127.2133.8172.5-59.7-65.4172.9127-8.6110.2S920 Y1169 Y1170 I1172S920-R1034 PolarHBondContact O-NH2 3.33Å; R1034-Y1169 HydrophobicContact CB-CD2 3.87Å; R1034-Y1169 HydrophobicContact CB-CE2 4.23Å; R1034-Y1169 HydrophobicContact CG-CD2 3.5Å; R1034-Y1169 HydrophobicContact CG-CE2 4.14Å; R1034-Y1169 HydrophobicContact CG-CG 3.91Å; R1034-Y1170 PolarHBondContact N-O 2.93Å; R1034-I1172 PolarHBondContact O-N 3.38Å
1035G83.9Confident89.3Confident64 Ų6443.2 Ų43.266%0.6625%0.247SC*.  trans86.931.1-176.700000115.2
1036L84.4Confident89.4Confident32 Ų3239.4 Ų39.417%0.16823%0.228CC..  trans-65.4136.2168.6-80.1166.5000109.9L1033 P1040 L1043 L1077 I1172L1033-L1036 HydrophobicContact CB-CD1 4.13Å; L1033-L1036 HydrophobicContact CB-CG 4.24Å; L1033-L1036 HydrophobicContact CD1-CD1 4.2Å; L1033-L1036 HydrophobicContact CD1-CD2 4.1Å; L1033-L1036 HydrophobicContact CD1-CG 4.34Å; L1036-P1040 HydrophobicContact CD1-CG 4.37Å; L1036-L1043 HydrophobicContact CD2-CD1 3.87Å; L1036-L1043 HydrophobicContact CD2-CD2 4.03Å; L1036-L1043 HydrophobicContact CD2-CG 4.39Å; L1036-L1077 HydrophobicContact CD2-CD1 3.81Å; L1036-I1172 HydrophobicContact CB-CD1 4.26Å; L1036-I1172 HydrophobicContact CD2-CD1 3.53Å; L1036-I1172 HydrophobicContact CG-CD1 3.6Å
1037S84.6Confident89.5Confident98 Ų9842.6 Ų42.669%0.68525%0.245SC*.SBendtrans-89.5-18.6174.871.30000113.6E1175S1037-E1175 WeakPolarHBondContact CB-OE2 3.36Å; S1037-E1175 PolarHBondContact N-OE2 2.66Å; S1037-E1175 VanDerWaalsContact OG-CD 3.32Å; S1037-E1175 PolarHBondContact OG-OE2 3.09Å
1038V85.2Confident89.6Confident59 Ų5944.7 Ų44.736%0.35826%0.256SS..SBendtrans-116.8167.7-179.6-58.70000112.2A1042 L1043 E1175V1038-A1042 HydrophobicContact CB-CB 4.02Å; V1038-A1042 HydrophobicContact CG2-CB 3.99Å; V1038-L1043 HydrophobicContact CG2-CD2 4Å; V1038-L1043 HydrophobicContact CG2-CG 4.43Å; V1038-E1175 WeakPolarHBondContact CG2-OE1 3.38Å
1039R85.9Confident89.8Confident105 Ų10547 Ų4740%0.39627%0.265SS..  trans-59.9138.7168.5-73.5-171.9-178.81446.3110.3D913 S1041 A1042 I1260D913-R1039 WeakPolarHBondContact OD2-CD 3.29Å; R1039-S1041 PolarHBondContact O-N 3.33Å; R1039-S1041 VanDerWaalsContact O-N 3.09Å; R1039-A1042 VanDerWaalsContact O-CB 3.3Å; R1039-A1042 WeakPolarHBondContact O-CB 3.48Å; R1039-A1042 PolarHBondContact O-N 3.14Å; R1039-I1260 PolarHBondContact NE-O 2.95Å; R1039-I1260 PolarHBondContact NH2-O 2.83Å; R1039-I1260 VanDerWaalsContact NH2-O 3.08Å
1040P90Very high89.9Confident8 Ų846.9 Ų46.95%0.05227%0.268CS..G310 helixtrans-45.8-38.5175.9-31.835.6000115.1V912 D913 T916 A1030 L1036 A1042 L1043V912-P1040 HydrophobicContact CG1-CB 3.96Å; D913-P1040 WeakPolarHBondContact OD1-CB 3.32Å; D913-P1040 WeakPolarHBondContact OD1-CD 3.35Å; D913-P1040 VanDerWaalsContact OD1-N 3.15Å; T916-P1040 HydrophobicContact CG2-CB 3.9Å; T916-P1040 HydrophobicContact CG2-CG 3.52Å; A1030-P1040 HydrophobicContact CB-CB 4.24Å; L1036-P1040 HydrophobicContact CD1-CG 4.37Å; P1040-A1042 VanDerWaalsContact C-N 3.3Å; P1040-A1042 PolarHBondContact O-N 2.62Å; P1040-L1043 WeakPolarHBondContact O-CB 3.2Å; P1040-L1043 PolarHBondContact O-N 3.13Å
1041S92.2Very high90.1Very high31 Ų3151.9 Ų51.922%0.21730%0.295CS..G310 helixtrans-63.1-30.1176.662.40000114.4P909 D913 R1039 L1043 G1044P909-S1041 WeakPolarHBondContact O-CB 3.3Å; D913-S1041 VanDerWaalsContact CG-OG 3.22Å; D913-S1041 WeakPolarHBondContact OD1-CB 3.16Å; D913-S1041 PolarHBondContact OD1-N 3.02Å; D913-S1041 PolarHBondContact OD1-OG 3.2Å; D913-S1041 WeakPolarHBondContact OD2-CB 3.46Å; D913-S1041 PolarHBondContact OD2-OG 3.13Å; R1039-S1041 PolarHBondContact O-N 3.33Å; R1039-S1041 VanDerWaalsContact O-N 3.09Å; S1041-L1043 VanDerWaalsContact C-N 3.27Å; S1041-L1043 PolarHBondContact O-N 3.3Å; S1041-G1044 PolarHBondContact O-N 2.87Å; S1041-G1044 VanDerWaalsContact O-N 3.09Å
1042A91.9Very high90.5Very high48 Ų4850 Ų5040%0.39729%0.285SS..G310 helixtrans-70.9-21.6-17800000113.1V1038 R1039 P1040 G1044 N1074V1038-A1042 HydrophobicContact CB-CB 4.02Å; V1038-A1042 HydrophobicContact CG2-CB 3.99Å; R1039-A1042 VanDerWaalsContact O-CB 3.3Å; R1039-A1042 WeakPolarHBondContact O-CB 3.48Å; R1039-A1042 PolarHBondContact O-N 3.14Å; P1040-A1042 VanDerWaalsContact C-N 3.3Å; P1040-A1042 PolarHBondContact O-N 2.62Å; A1042-G1044 PolarHBondContact O-N 2.93Å; A1042-N1074 WeakPolarHBondContact O-CB 3.3Å; A1042-N1074 PolarHBondContact O-ND2 2.93Å
1043L92.2Very high90.7Very high1 Ų148.3 Ų48.31%0.00528%0.28CS..G310 helixtrans-62.3-29.6170.7-57.3173.9000111.8L1033 L1036 V1038 P1040 S1041 F1072 N1074 A1075 L1077L1033-L1043 HydrophobicContact CD1-CD1 4.37Å; L1036-L1043 HydrophobicContact CD2-CD1 3.87Å; L1036-L1043 HydrophobicContact CD2-CD2 4.03Å; L1036-L1043 HydrophobicContact CD2-CG 4.39Å; V1038-L1043 HydrophobicContact CG2-CD2 4Å; V1038-L1043 HydrophobicContact CG2-CG 4.43Å; P1040-L1043 WeakPolarHBondContact O-CB 3.2Å; P1040-L1043 PolarHBondContact O-N 3.13Å; S1041-L1043 VanDerWaalsContact C-N 3.27Å; S1041-L1043 PolarHBondContact O-N 3.3Å; L1043-F1072 HydrophobicContact CB-CB 4Å; L1043-F1072 HydrophobicContact CB-CD1 3.87Å; L1043-F1072 HydrophobicContact CB-CD2 4.38Å; L1043-F1072 HydrophobicContact CB-CE1 4.43Å; L1043-F1072 HydrophobicContact CB-CG 3.85Å; L1043-F1072 HydrophobicContact CD1-CD1 4.26Å; L1043-F1072 HydrophobicContact CD1-CD2 4.4Å; L1043-F1072 HydrophobicContact CD1-CE1 4.01Å; L1043-F1072 HydrophobicContact CD1-CE2 4.16Å; L1043-F1072 HydrophobicContact CD1-CG 4.47Å; L1043-F1072 HydrophobicContact CD1-CZ 3.96Å; L1043-F1072 WeakPolarHBondContact O-CB 3.36Å; L1043-N1074 VanDerWaalsContact O-CB 3.27Å; L1043-N1074 WeakPolarHBondContact O-CB 3.35Å; L1043-N1074 PolarHBondContact O-N 2.83Å; L1043-A1075 HydrophobicContact CD2-CB 3.84Å; L1043-L1077 HydrophobicContact CD1-CD1 4.29Å; L1043-L1077 HydrophobicContact CD2-CD1 4.12Å; L1043-L1077 HydrophobicContact CD2-CD2 4.23Å; L1043-L1077 HydrophobicContact CD2-CG 4.49Å
1044G91.6Very high90.9Very high12 Ų1248.8 Ų48.812%0.12428%0.282CS..  trans72-174-166.700000112.7S1041 A1042 F1072 T1073S1041-G1044 PolarHBondContact O-N 2.87Å; S1041-G1044 VanDerWaalsContact O-N 3.09Å; A1042-G1044 PolarHBondContact O-N 2.93Å; G1044-F1072 WeakPolarHBondContact O-CD1 3.48Å; G1044-T1073 WeakPolarHBondContact CA-OG1 3.44Å
1045P92.5Very high91Very high41 Ų4144.6 Ų44.627%0.26627%0.271SS..SBendtrans-54.3140.2178.3-28.935.7000113.7E1022 F1072 T1073E1022-P1045 HydrophobicContact CB-CB 4.43Å; P1045-F1072 CarbonylContact O-C 3.58Å; P1045-F1072 VanDerWaalsContact O-CA 3.23Å; P1045-F1072 WeakPolarHBondContact O-CA 3.45Å; P1045-T1073 HydrophobicContact CB-CG2 4.09Å; P1045-T1073 WeakPolarHBondContact CD-OG1 3.36Å; P1045-T1073 HydrophobicContact CG-CG2 4.21Å; P1045-T1073 PolarHBondContact O-N 3Å
1046F94.4Very high91.1Very high31 Ų3146 Ų4614%0.13626%0.257CS..EExtended strand (participates in β ladder)trans-66.4147.2167.7173.7-108000111.5T1026 I1029 L1048 Q1049 F1070 F1072T1026-F1046 PolarHBondContact OG1-N 3.3Å; T1026-F1046 VanDerWaalsContact OG1-N 3.13Å; I1029-F1046 HydrophobicContact CD1-CE1 4.47Å; I1029-F1046 HydrophobicContact CD1-CZ 4.43Å; I1029-F1046 HydrophobicContact CG1-CD1 4.01Å; I1029-F1046 HydrophobicContact CG1-CD2 4.11Å; I1029-F1046 HydrophobicContact CG1-CE1 4.2Å; I1029-F1046 HydrophobicContact CG1-CE2 4.3Å; I1029-F1046 HydrophobicContact CG1-CG 3.96Å; I1029-F1046 HydrophobicContact CG1-CZ 4.34Å; I1029-F1046 HydrophobicContact CG2-CD2 4.37Å; F1046-L1048 VanDerWaalsContact CE2-C 3.49Å; F1046-L1048 WeakPolarHBondContact CE2-O 3.18Å; F1046-L1048 VanDerWaalsContact CZ-C 3.49Å; F1046-Q1049 HydrophobicContact CE2-CB 4.04Å; F1046-Q1049 HydrophobicContact CZ-CB 3.8Å; F1046-Q1049 HydrophobicContact CZ-CG 4.03Å; F1046-F1070 HydrophobicContact CE2-CB 4.45Å; F1046-F1070 AromaticContact CE2-CD1 3.92Å; F1046-F1070 HydrophobicContact CE2-CD1 3.92Å; F1046-F1072 HydrophobicContact CB-CD1 3.87Å; F1046-F1072 HydrophobicContact CB-CE1 3.8Å; F1046-F1072 HydrophobicContact CD2-CD1 4.36Å; F1046-F1072 HydrophobicContact CD2-CE1 4.05Å; F1046-F1072 HydrophobicContact CD2-CZ 4.16Å; F1046-F1072 HydrophobicContact CG-CE1 4.39Å
1047L93.4Very high90.6Very high72 Ų7248.6 Ų48.638%0.37727%0.271SS..EExtended strand (participates in β ladder)trans-134.3-51.1-174.9-60.3170.4000114.2L1071 T1073 L1225L1047-L1071 HydrophobicContact CB-CD2 4.45Å; L1047-L1071 HydrophobicContact CB-CG 4.3Å; L1047-L1071 WeakPolarHBondContact CB-O 3.44Å; L1047-L1071 HydrophobicContact CD1-CG 4.28Å; L1047-L1071 PolarHBondContact N-O 3.25Å; L1047-T1073 HydrophobicContact CD1-CG2 3.92Å; L1047-T1073 HydrophobicContact CD2-CG2 4.26Å; L1047-T1073 HydrophobicContact CG-CG2 4.28Å; L1047-L1225 HydrophobicContact CD1-CD1 3.63Å; L1047-L1225 HydrophobicContact CD1-CD2 3.84Å; L1047-L1225 HydrophobicContact CD1-CG 4.17Å
1048L94.8Very high89.7Confident44 Ų4447.4 Ų47.423%0.2326%0.257CS..EExtended strand (participates in β ladder)trans-146.5149.1-177.3-67.2176000111.2F1046 L1071 T1217 W1218 A1221F1046-L1048 VanDerWaalsContact CE2-C 3.49Å; F1046-L1048 WeakPolarHBondContact CE2-O 3.18Å; F1046-L1048 VanDerWaalsContact CZ-C 3.49Å; L1048-L1071 HydrophobicContact CB-CB 4.17Å; L1048-L1071 HydrophobicContact CB-CD2 4.31Å; L1048-L1071 HydrophobicContact CD1-CD2 4.09Å; L1048-L1071 HydrophobicContact CG-CD2 4.41Å; L1048-L1071 PolarHBondContact N-O 3.1Å; L1048-L1071 PolarHBondContact O-N 3.37Å; L1048-T1217 HydrophobicContact CD1-CG2 4.13Å; L1048-T1217 HydrophobicContact CD2-CG2 4.38Å; L1048-W1218 HydrophobicContact CB-CH2 4.39Å; L1048-W1218 HydrophobicContact CB-CZ2 3.75Å; L1048-W1218 HydrophobicContact CD1-CD2 4.31Å; L1048-W1218 HydrophobicContact CD1-CG 4.18Å; L1048-A1221 HydrophobicContact CD1-CB 3.64Å
1049Q94.2Very high88.5Confident95 Ų9547.9 Ų47.944%0.44426%0.26SS..EExtended strand (participates in β ladder)trans-132.9155.6167.269-172.90.300110.9F1046 V1069 F1070F1046-Q1049 HydrophobicContact CE2-CB 4.04Å; F1046-Q1049 HydrophobicContact CZ-CB 3.8Å; F1046-Q1049 HydrophobicContact CZ-CG 4.03Å; Q1049-V1069 CarbonylContact C-O 3.59Å; Q1049-V1069 VanDerWaalsContact CA-O 3.23Å; Q1049-V1069 WeakPolarHBondContact CA-O 3.34Å; Q1049-F1070 HydrophobicContact CB-CD1 3.83Å; Q1049-F1070 HydrophobicContact CB-CE1 4.12Å; Q1049-F1070 VanDerWaalsContact OE1-CE1 3.3Å
1050G93.5Very high87Confident13 Ų1354.2 Ų54.213%0.13428%0.284CS..EExtended strand (participates in β ladder)trans174.1160178.200000114.6F1052 V1069G1050-F1052 WeakPolarHBondContact O-CD2 2.91Å; G1050-V1069 PolarHBondContact N-O 3.36Å; G1050-V1069 PolarHBondContact O-N 3.02Å
1051D94.6Very high85.2Confident104 Ų10462.8 Ų62.856%0.55632%0.321SS*.EExtended strand (participates in β ladder)trans-90.5131179.9-66-71.2000112.4R1067 H1068D1051-R1067 WeakPolarHBondContact CA-O 3.33Å; D1051-H1068 IonicContact OD1-CE1 2.68Å; D1051-H1068 IonicContact OD1-CG 2.73Å; D1051-H1068 IonicContact OD1-ND1 2.76Å; D1051-H1068 PolarHBondContact OD1-ND1 2.93Å; D1051-H1068 IonicContact OD2-CE1 3.32Å; D1051-H1068 IonicContact OD2-ND1 2.6Å; D1051-H1068 PolarHBondContact OD2-ND1 3.26Å; D1051-H1068 VanDerWaalsContact OD2-ND1 3.17Å
1052F95.5Very high83.6Confident1 Ų165.7 Ų65.70%0.00433%0.332CS..EExtended strand (participates in β ladder)trans-132.6142179.6-65.7-90000111.6G1050 I1054 Q1066 R1067 V1069 F1194 F1207 I1214 W1218G1050-F1052 WeakPolarHBondContact O-CD2 2.91Å; F1052-I1054 HydrophobicContact CB-CD1 4.27Å; F1052-I1054 HydrophobicContact CB-CG1 3.88Å; F1052-Q1066 PolarHBondContact O-OE1 3.16Å; F1052-R1067 PolarHBondContact N-O 2.85Å; F1052-R1067 PolarHBondContact O-N 3.41Å; F1052-V1069 HydrophobicContact CB-CG2 4.26Å; F1052-V1069 HydrophobicContact CD2-CB 3.91Å; F1052-V1069 HydrophobicContact CD2-CG2 3.61Å; F1052-V1069 HydrophobicContact CE2-CB 4.27Å; F1052-V1069 HydrophobicContact CE2-CG2 4.44Å; F1052-V1069 HydrophobicContact CG-CG2 4.33Å; F1052-F1194 HydrophobicContact CD1-CE1 4.31Å; F1052-F1194 AromaticContact CE1-CE1 3.8Å; F1052-F1194 HydrophobicContact CE1-CE1 3.8Å; F1052-F1194 HydrophobicContact CE1-CZ 4.3Å; F1052-F1194 HydrophobicContact CZ-CE1 4.5Å; F1052-F1207 HydrophobicContact CB-CD1 4.09Å; F1052-F1207 HydrophobicContact CD1-CB 4.09Å; F1052-F1207 HydrophobicContact CD1-CD1 4.23Å; F1052-F1207 HydrophobicContact CD2-CD1 4.35Å; F1052-F1207 AromaticContact CG-CD1 3.96Å; F1052-F1207 HydrophobicContact CG-CD1 3.96Å; F1052-I1214 HydrophobicContact CE1-CG2 4.19Å; F1052-I1214 HydrophobicContact CZ-CG2 3.91Å; F1052-W1218 AromaticContact CE2-CD2 3.9Å; F1052-W1218 HydrophobicContact CE2-CD2 3.9Å; F1052-W1218 AromaticContact CE2-CE2 3.65Å; F1052-W1218 HydrophobicContact CE2-CE3 4.23Å; F1052-W1218 HydrophobicContact CE2-CG 4.46Å; F1052-W1218 HydrophobicContact CE2-CH2 4.16Å; F1052-W1218 AromaticContact CE2-CZ2 3.81Å; F1052-W1218 HydrophobicContact CE2-CZ2 3.81Å; F1052-W1218 HydrophobicContact CE2-CZ3 4.35Å; F1052-W1218 AromaticContact CZ-CD1 3.81Å; F1052-W1218 AromaticContact CZ-CD2 3.62Å; F1052-W1218 HydrophobicContact CZ-CD2 3.62Å; F1052-W1218 AromaticContact CZ-CE2 3.68Å; F1052-W1218 HydrophobicContact CZ-CE3 4.2Å; F1052-W1218 AromaticContact CZ-CG 3.74Å; F1052-W1218 HydrophobicContact CZ-CG 3.74Å; F1052-W1218 HydrophobicContact CZ-CZ2 4.32Å; F1052-W1218 AromaticContact CZ-NE1 3.75Å
1053T93.6Very high82.5Confident33 Ų3367.6 Ų67.620%0.20234%0.34CS..EExtended strand (participates in β ladder)trans-82.1113.8162.9-590000107.8Q1066 Q1208T1053-Q1066 VanDerWaalsContact OG1-CD 3.23Å; T1053-Q1066 PolarHBondContact OG1-NE2 2.78Å; T1053-Q1066 PolarHBondContact OG1-OE1 3.17Å; T1053-Q1208 PolarHBondContact N-O 2.84Å; T1053-Q1208 PolarHBondContact O-N 3.39Å
1054I92.7Very high82Confident11 Ų1171.1 Ų71.16%0.05637%0.365CS..EExtended strand (participates in β ladder)trans-112.7129.3-174.8-56-176.6000111.3F1052 S1064 K1065 R1067 V1069 L1078 Y1205 I1206 F1207F1052-I1054 HydrophobicContact CB-CD1 4.27Å; F1052-I1054 HydrophobicContact CB-CG1 3.88Å; I1054-S1064 CarbonylContact O-C 3.53Å; I1054-S1064 WeakPolarHBondContact O-CA 3.32Å; I1054-K1065 PolarHBondContact N-O 3Å; I1054-K1065 PolarHBondContact O-N 3.32Å; I1054-R1067 HydrophobicContact CD1-CB 3.79Å; I1054-R1067 HydrophobicContact CD1-CG 4.02Å; I1054-R1067 HydrophobicContact CG1-CB 4.33Å; I1054-R1067 HydrophobicContact CG1-CG 4.46Å; I1054-V1069 HydrophobicContact CD1-CG2 3.83Å; I1054-L1078 HydrophobicContact CD1-CD2 3.57Å; I1054-L1078 HydrophobicContact CD1-CG 3.83Å; I1054-L1078 HydrophobicContact CG2-CD2 4.28Å; I1054-Y1205 HydrophobicContact CG2-CD1 4.13Å; I1054-I1206 VanDerWaalsContact CA-O 3.31Å; I1054-I1206 WeakPolarHBondContact CA-O 3.39Å; I1054-F1207 HydrophobicContact CD1-CD1 3.68Å; I1054-F1207 HydrophobicContact CD1-CE1 3.42Å; I1054-F1207 VanDerWaalsContact CD1-CE1 3.42Å; I1054-F1207 HydrophobicContact CD1-CG 4.39Å; I1054-F1207 HydrophobicContact CD1-CZ 3.93Å; I1054-F1207 HydrophobicContact CG1-CD1 4.02Å; I1054-F1207 HydrophobicContact CG1-CE1 4.25Å; I1054-F1207 HydrophobicContact CG1-CG 4.38Å
1055S89.1Confident81.9Confident33 Ų3374.4 Ų74.423%0.23138%0.376CS..EExtended strand (participates in β ladder)trans-121.1167.7167.854.90000110.8Y1205 I1206S1055-Y1205 WeakPolarHBondContact O-CA 3.09Å; S1055-I1206 PolarHBondContact N-O 3.03Å; S1055-I1206 VanDerWaalsContact N-O 3.15Å; S1055-I1206 PolarHBondContact O-N 2.9Å; S1055-I1206 WeakPolarHBondContact OG-CD1 3.38Å
1056R86Confident81.9Confident93 Ų9378.5 Ų78.535%0.35139%0.391SS..EExtended strand (participates in β ladder)trans-125150.1170.9-64.7-177.1177.8172.3-0.1110D1058 V1203 T1204 Y1205R1056-D1058 WeakPolarHBondContact CB-OD1 3.47Å; R1056-D1058 WeakPolarHBondContact CD-OD1 3.34Å; R1056-D1058 VanDerWaalsContact CD-OD2 3.28Å; R1056-D1058 WeakPolarHBondContact CD-OD2 3.48Å; R1056-D1058 IonicContact NH1-OD2 2.71Å; R1056-D1058 PolarHBondContact NH1-OD2 2.99Å; R1056-V1203 HydrophobicContact CG-CG1 4.23Å; R1056-T1204 VanDerWaalsContact CA-O 3.25Å; R1056-T1204 WeakPolarHBondContact CA-O 3.3Å; R1056-Y1205 HydrophobicContact CG-CD1 3.94Å; R1056-Y1205 HydrophobicContact CG-CE1 4.1Å; R1056-Y1205 HydrophobicContact CG-CG 4.45Å; R1056-Y1205 PolarHBondContact NE-OH 3.31Å; R1056-Y1205 PolarHBondContact NH2-OH 3.36Å
1057D75.2Confident81.8Confident88 Ų8879.4 Ų79.447%0.47139%0.394SS..SBendtrans-87.6-10.6178.4-66.4-48.7000113.7T1204 I1206D1057-T1204 PolarHBondContact N-O 3.42Å; D1057-T1204 WeakPolarHBondContact OD2-CG2 3.35Å; D1057-I1206 VanDerWaalsContact OD1-CD1 3.26Å; D1057-I1206 WeakPolarHBondContact OD1-CD1 3.47Å
1058D65.8Low81.9Confident72 Ų7277 Ų7739%0.38538%0.38SS..SBendtrans-68.3-33.5-177.358.7-3.3000113.5R1056R1056-D1058 WeakPolarHBondContact CB-OD1 3.47Å; R1056-D1058 WeakPolarHBondContact CD-OD1 3.34Å; R1056-D1058 VanDerWaalsContact CD-OD2 3.28Å; R1056-D1058 WeakPolarHBondContact CD-OD2 3.48Å; R1056-D1058 IonicContact NH1-OD2 2.71Å; R1056-D1058 PolarHBondContact NH1-OD2 2.99Å
1059V59.9Low82Confident70 Ų7074.9 Ų74.942%0.42437%0.369SS..  trans-123.2108.7-173.5-177.80000111.6F1061 M1062V1059-F1061 PolarHBondContact O-N 3.43Å; V1059-M1062 HydrophobicContact CB-CB 4.16Å; V1059-M1062 HydrophobicContact CB-CG 3.74Å; V1059-M1062 HydrophobicContact CG1-CB 4.29Å; V1059-M1062 HydrophobicContact CG1-CG 3.75Å; V1059-M1062 HydrophobicContact CG2-CG 4.38Å; V1059-M1062 PolarHBondContact O-N 2.89Å; V1059-M1062 VanDerWaalsContact O-N 3.1Å
1060R53.5Low82.1Confident238 Ų23870.4 Ų70.490%0.89835%0.349SS*.THydrogen-bonded Turntrans-54.4-10.1-176.8-56.9-173.4-167.6-177.55.4116.6
1061F53.4Low82.2Confident188 Ų18869.8 Ų69.883%0.82534%0.342SS*.THydrogen-bonded Turntrans-133.717.2-176.7-62.3-71.7000114.1V1059 P1063V1059-F1061 PolarHBondContact O-N 3.43Å; F1061-P1063 WeakPolarHBondContact O-CD 3.4Å
1062M57.9Low82.3Confident91 Ų9164.9 Ų64.945%0.44832%0.316SS..PPolyproline II helixtrans-77.4119.2173.7-93.9-67.7113.500111.4V1059 K1065V1059-M1062 HydrophobicContact CB-CB 4.16Å; V1059-M1062 HydrophobicContact CB-CG 3.74Å; V1059-M1062 HydrophobicContact CG1-CB 4.29Å; V1059-M1062 HydrophobicContact CG1-CG 3.75Å; V1059-M1062 HydrophobicContact CG2-CG 4.38Å; V1059-M1062 PolarHBondContact O-N 2.89Å; V1059-M1062 VanDerWaalsContact O-N 3.1Å; M1062-K1065 PolarHBondContact SD-NZ 3.34Å
1063P69.2Low82.1Confident89 Ų8966.5 Ų66.558%0.57833%0.326SS*.PPolyproline II helixtrans-67142174.128.3-34.4000110.3F1061 K1065F1061-P1063 WeakPolarHBondContact O-CD 3.4Å; P1063-K1065 WeakPolarHBondContact O-CE 3.33Å; P1063-K1065 WeakPolarHBondContact O-CG 3.45Å
1064S80.7Confident82.1Confident75 Ų7567.6 Ų67.652%0.52433%0.331SS..PPolyproline II helixtrans-61.2137.6174.456.50000111.2I1054I1054-S1064 CarbonylContact O-C 3.53Å; I1054-S1064 WeakPolarHBondContact O-CA 3.32Å
1065K89.8Confident82.1Confident81 Ų8167.2 Ų67.235%0.35233%0.329SS..EExtended strand (participates in β ladder)trans-123.1127.7-169.4-45.9-175.3-175.9171.50109.7I1054 M1062 P1063I1054-K1065 PolarHBondContact N-O 3Å; I1054-K1065 PolarHBondContact O-N 3.32Å; M1062-K1065 PolarHBondContact SD-NZ 3.34Å; P1063-K1065 WeakPolarHBondContact O-CE 3.33Å; P1063-K1065 WeakPolarHBondContact O-CG 3.45Å
1066Q91.8Very high82.5Confident126 Ų12665.7 Ų65.759%0.58932%0.318SS*.EExtended strand (participates in β ladder)trans-64.5135.8170.2-57.8-57.4-10.400110F1052 T1053F1052-Q1066 PolarHBondContact O-OE1 3.16Å; T1053-Q1066 VanDerWaalsContact OG1-CD 3.23Å; T1053-Q1066 PolarHBondContact OG1-NE2 2.78Å; T1053-Q1066 PolarHBondContact OG1-OE1 3.17Å
1067R94Very high82.9Confident50 Ų5061.2 Ų61.219%0.18930%0.302CS..EExtended strand (participates in β ladder)trans-141.3136.5178.1-69.8-66.9179.1-934.8109.5D1051 F1052 I1054 V1069 L1078 T1079D1051-R1067 WeakPolarHBondContact CA-O 3.33Å; F1052-R1067 PolarHBondContact N-O 2.85Å; F1052-R1067 PolarHBondContact O-N 3.41Å; I1054-R1067 HydrophobicContact CD1-CB 3.79Å; I1054-R1067 HydrophobicContact CD1-CG 4.02Å; I1054-R1067 HydrophobicContact CG1-CB 4.33Å; I1054-R1067 HydrophobicContact CG1-CG 4.46Å; R1067-V1069 HydrophobicContact CB-CG2 4.2Å; R1067-L1078 HydrophobicContact CG-CB 4.45Å; R1067-T1079 WeakPolarHBondContact CA-O 3.49Å; R1067-T1079 WeakPolarHBondContact CD-O 3.49Å
1068H95.1Very high83.9Confident21 Ų2157.3 Ų57.310%0.09728%0.281CS..EExtended strand (participates in β ladder)trans-84.7126.9161.2-157.483.1000107.3D1051 F1070 T1079 Y1170D1051-H1068 IonicContact OD1-CE1 2.68Å; D1051-H1068 IonicContact OD1-CG 2.73Å; D1051-H1068 IonicContact OD1-ND1 2.76Å; D1051-H1068 PolarHBondContact OD1-ND1 2.93Å; D1051-H1068 IonicContact OD2-CE1 3.32Å; D1051-H1068 IonicContact OD2-ND1 2.6Å; D1051-H1068 PolarHBondContact OD2-ND1 3.26Å; D1051-H1068 VanDerWaalsContact OD2-ND1 3.17Å; H1068-F1070 AromaticContact CD2-CE2 3.87Å; H1068-F1070 AromaticContact CD2-CZ 3.65Å; H1068-T1079 PolarHBondContact N-O 3.16Å; H1068-T1079 VanDerWaalsContact N-O 3.14Å; H1068-T1079 WeakPolarHBondContact O-CA 3.32Å; H1068-T1079 WeakPolarHBondContact O-CB 3.47Å; H1068-T1079 PolarHBondContact O-N 3.21Å; H1068-T1079 PolarHBondContact O-OG1 3.44Å; H1068-Y1170 HydrophobicContact CB-CD1 4.11Å; H1068-Y1170 HydrophobicContact CB-CE1 3.85Å; H1068-Y1170 AromaticContact CD2-CE1 3.72Å; H1068-Y1170 AromaticContact CG-CE1 3.73Å
1069V96Very high85.2Confident0 Ų053.9 Ų53.90%026%0.262CS..EExtended strand (participates in β ladder)trans-115.2132.8-171.9-173.20000108.8Q1049 G1050 F1052 I1054 R1067 I1076 L1077 F1207 W1218Q1049-V1069 CarbonylContact C-O 3.59Å; Q1049-V1069 VanDerWaalsContact CA-O 3.23Å; Q1049-V1069 WeakPolarHBondContact CA-O 3.34Å; G1050-V1069 PolarHBondContact N-O 3.36Å; G1050-V1069 PolarHBondContact O-N 3.02Å; F1052-V1069 HydrophobicContact CB-CG2 4.26Å; F1052-V1069 HydrophobicContact CD2-CB 3.91Å; F1052-V1069 HydrophobicContact CD2-CG2 3.61Å; F1052-V1069 HydrophobicContact CE2-CB 4.27Å; F1052-V1069 HydrophobicContact CE2-CG2 4.44Å; F1052-V1069 HydrophobicContact CG-CG2 4.33Å; I1054-V1069 HydrophobicContact CD1-CG2 3.83Å; R1067-V1069 HydrophobicContact CB-CG2 4.2Å; V1069-I1076 HydrophobicContact CG1-CG2 3.58Å; V1069-L1077 WeakPolarHBondContact CA-O 3.47Å; V1069-F1207 HydrophobicContact CG1-CE1 4.06Å; V1069-F1207 HydrophobicContact CG2-CD1 4.44Å; V1069-F1207 HydrophobicContact CG2-CE1 3.96Å; V1069-W1218 HydrophobicContact CB-CH2 3.91Å; V1069-W1218 HydrophobicContact CB-CZ3 4.3Å; V1069-W1218 HydrophobicContact CG1-CH2 3.66Å; V1069-W1218 HydrophobicContact CG1-CZ3 3.67Å; V1069-W1218 WeakPolarHBondContact O-CH2 3.39Å
1070F96.5Very high86.8Confident2 Ų254.9 Ų54.91%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-110.3134.9171.3-57.2-92.6000109.5I1029 L1033 F1046 Q1049 H1068 F1072 I1076 L1077 T1079 Y1170I1029-F1070 HydrophobicContact CD1-CE1 4.37Å; I1029-F1070 HydrophobicContact CG2-CD1 3.57Å; I1029-F1070 HydrophobicContact CG2-CE1 3.65Å; I1029-F1070 HydrophobicContact CG2-CG 4.37Å; I1029-F1070 HydrophobicContact CG2-CZ 4.5Å; L1033-F1070 HydrophobicContact CD2-CD2 4.03Å; L1033-F1070 HydrophobicContact CD2-CE2 3.84Å; L1033-F1070 HydrophobicContact CD2-CZ 4.33Å; F1046-F1070 HydrophobicContact CE2-CB 4.45Å; F1046-F1070 AromaticContact CE2-CD1 3.92Å; F1046-F1070 HydrophobicContact CE2-CD1 3.92Å; Q1049-F1070 HydrophobicContact CB-CD1 3.83Å; Q1049-F1070 HydrophobicContact CB-CE1 4.12Å; Q1049-F1070 VanDerWaalsContact OE1-CE1 3.3Å; H1068-F1070 AromaticContact CD2-CE2 3.87Å; H1068-F1070 AromaticContact CD2-CZ 3.65Å; F1070-F1072 HydrophobicContact CB-CD2 4.24Å; F1070-F1072 HydrophobicContact CB-CE2 3.57Å; F1070-F1072 HydrophobicContact CB-CZ 4.31Å; F1070-F1072 HydrophobicContact CG-CE2 4.45Å; F1070-I1076 WeakPolarHBondContact O-CA 3.23Å; F1070-L1077 HydrophobicContact CB-CB 4.42Å; F1070-L1077 PolarHBondContact N-O 3.32Å; F1070-L1077 PolarHBondContact O-N 2.9Å; F1070-T1079 HydrophobicContact CD2-CG2 3.71Å; F1070-T1079 HydrophobicContact CE2-CG2 3.75Å; F1070-Y1170 AromaticContact CE2-CD1 3.79Å; F1070-Y1170 HydrophobicContact CE2-CD1 3.79Å; F1070-Y1170 HydrophobicContact CE2-CD2 4.26Å; F1070-Y1170 HydrophobicContact CE2-CE1 4.33Å; F1070-Y1170 AromaticContact CE2-CG 3.74Å; F1070-Y1170 HydrophobicContact CE2-CG 3.74Å; F1070-Y1170 AromaticContact CZ-CD1 3.78Å; F1070-Y1170 HydrophobicContact CZ-CD1 3.78Å; F1070-Y1170 AromaticContact CZ-CD2 3.71Å; F1070-Y1170 HydrophobicContact CZ-CD2 3.71Å; F1070-Y1170 AromaticContact CZ-CE1 3.95Å; F1070-Y1170 HydrophobicContact CZ-CE1 3.95Å; F1070-Y1170 AromaticContact CZ-CE2 3.89Å; F1070-Y1170 HydrophobicContact CZ-CE2 3.89Å; F1070-Y1170 AromaticContact CZ-CG 3.65Å; F1070-Y1170 HydrophobicContact CZ-CG 3.65Å; F1070-Y1170 AromaticContact CZ-CZ 4Å
1071L96.3Very high88.5Confident0 Ų048.9 Ų48.90%024%0.239CC..EExtended strand (participates in β ladder)trans-108.5122.2171.9176.764.7000108.6L1047 L1048 I1076 W1218 A1221 I1222 L1225L1047-L1071 HydrophobicContact CB-CD2 4.45Å; L1047-L1071 HydrophobicContact CB-CG 4.3Å; L1047-L1071 WeakPolarHBondContact CB-O 3.44Å; L1047-L1071 HydrophobicContact CD1-CG 4.28Å; L1047-L1071 PolarHBondContact N-O 3.25Å; L1048-L1071 HydrophobicContact CB-CB 4.17Å; L1048-L1071 HydrophobicContact CB-CD2 4.31Å; L1048-L1071 HydrophobicContact CD1-CD2 4.09Å; L1048-L1071 HydrophobicContact CG-CD2 4.41Å; L1048-L1071 PolarHBondContact N-O 3.1Å; L1048-L1071 PolarHBondContact O-N 3.37Å; L1071-I1076 HydrophobicContact CD1-CD1 4.03Å; L1071-I1076 HydrophobicContact CD1-CG1 3.72Å; L1071-W1218 HydrophobicContact CB-CH2 3.81Å; L1071-W1218 HydrophobicContact CB-CZ3 3.79Å; L1071-A1221 HydrophobicContact CD2-CB 3.82Å; L1071-I1222 HydrophobicContact CD1-CG1 4.18Å; L1071-I1222 HydrophobicContact CD2-CG1 4.17Å; L1071-L1225 HydrophobicContact CD1-CD1 3.91Å; L1071-L1225 HydrophobicContact CD2-CD1 4.33Å; L1071-L1225 HydrophobicContact CG-CD1 4.28Å
1072F95.3Very high89.9Confident0 Ų043.8 Ų43.80%021%0.214CC..EExtended strand (participates in β ladder)trans-114.5169.1168-58.2-101.3000108.9T1026 I1029 L1033 L1043 G1044 P1045 F1046 F1070 N1074 A1075 L1077T1026-F1072 HydrophobicContact CG2-CE1 4.37Å; I1029-F1072 HydrophobicContact CG2-CE1 4.45Å; I1029-F1072 HydrophobicContact CG2-CZ 3.82Å; L1033-F1072 HydrophobicContact CD1-CE2 4.44Å; L1033-F1072 HydrophobicContact CD1-CZ 4.11Å; L1043-F1072 HydrophobicContact CB-CB 4Å; L1043-F1072 HydrophobicContact CB-CD1 3.87Å; L1043-F1072 HydrophobicContact CB-CD2 4.38Å; L1043-F1072 HydrophobicContact CB-CE1 4.43Å; L1043-F1072 HydrophobicContact CB-CG 3.85Å; L1043-F1072 HydrophobicContact CD1-CD1 4.26Å; L1043-F1072 HydrophobicContact CD1-CD2 4.4Å; L1043-F1072 HydrophobicContact CD1-CE1 4.01Å; L1043-F1072 HydrophobicContact CD1-CE2 4.16Å; L1043-F1072 HydrophobicContact CD1-CG 4.47Å; L1043-F1072 HydrophobicContact CD1-CZ 3.96Å; L1043-F1072 WeakPolarHBondContact O-CB 3.36Å; G1044-F1072 WeakPolarHBondContact O-CD1 3.48Å; P1045-F1072 CarbonylContact O-C 3.58Å; P1045-F1072 VanDerWaalsContact O-CA 3.23Å; P1045-F1072 WeakPolarHBondContact O-CA 3.45Å; F1046-F1072 HydrophobicContact CB-CD1 3.87Å; F1046-F1072 HydrophobicContact CB-CE1 3.8Å; F1046-F1072 HydrophobicContact CD2-CD1 4.36Å; F1046-F1072 HydrophobicContact CD2-CE1 4.05Å; F1046-F1072 HydrophobicContact CD2-CZ 4.16Å; F1046-F1072 HydrophobicContact CG-CE1 4.39Å; F1070-F1072 HydrophobicContact CB-CD2 4.24Å; F1070-F1072 HydrophobicContact CB-CE2 3.57Å; F1070-F1072 HydrophobicContact CB-CZ 4.31Å; F1070-F1072 HydrophobicContact CG-CE2 4.45Å; F1072-N1074 PolarHBondContact O-N 3.18Å; F1072-A1075 PolarHBondContact N-O 2.9Å; F1072-L1077 HydrophobicContact CD2-CD1 4.28Å; F1072-L1077 HydrophobicContact CD2-CG 4.33Å; F1072-L1077 HydrophobicContact CE2-CD1 3.68Å; F1072-L1077 HydrophobicContact CE2-CG 4.11Å; F1072-L1077 HydrophobicContact CZ-CD1 4.5Å
1073T93.1Very high90.5Very high35 Ų3544.3 Ų44.322%0.21522%0.223CC..SBendtrans-60.9-28.8-177.963.50000113.8G1044 P1045 L1047 L1225G1044-T1073 WeakPolarHBondContact CA-OG1 3.44Å; P1045-T1073 HydrophobicContact CB-CG2 4.09Å; P1045-T1073 WeakPolarHBondContact CD-OG1 3.36Å; P1045-T1073 HydrophobicContact CG-CG2 4.21Å; P1045-T1073 PolarHBondContact O-N 3Å; L1047-T1073 HydrophobicContact CD1-CG2 3.92Å; L1047-T1073 HydrophobicContact CD2-CG2 4.26Å; L1047-T1073 HydrophobicContact CG-CG2 4.28Å; T1073-L1225 HydrophobicContact CG2-CD2 4.27Å
1074N92.5Very high89.9Confident56 Ų5642.4 Ų42.430%0.29921%0.211SC..SBendtrans-113.9-10.1-173.8-49-19.6000113.5A1042 L1043 F1072 L1178A1042-N1074 WeakPolarHBondContact O-CB 3.3Å; A1042-N1074 PolarHBondContact O-ND2 2.93Å; L1043-N1074 VanDerWaalsContact O-CB 3.27Å; L1043-N1074 WeakPolarHBondContact O-CB 3.35Å; L1043-N1074 PolarHBondContact O-N 2.83Å; F1072-N1074 PolarHBondContact O-N 3.18Å; N1074-L1178 WeakPolarHBondContact O-CB 3.49Å; N1074-L1178 PolarHBondContact O-N 3.15Å
1075A93.9Very high87.9Confident4 Ų443.1 Ų43.13%0.03322%0.215CC..EExtended strand (participates in β ladder)trans-152.7150.3-173.200000113.7L1043 F1072 L1077 L1176L1043-A1075 HydrophobicContact CD2-CB 3.84Å; F1072-A1075 PolarHBondContact N-O 2.9Å; A1075-L1077 HydrophobicContact CB-CD2 4.38Å; A1075-L1176 CarbonylContact C-O 3.59Å; A1075-L1176 WeakPolarHBondContact CA-O 3.46Å
1076I95.8Very high85.2Confident0 Ų046.8 Ų46.80%024%0.238CC..EExtended strand (participates in β ladder)trans-116.1121.2170.6-45.2-175.2000108.6V1069 F1070 L1071 L1078 L1176 L1178 I1181 I1196 I1222V1069-I1076 HydrophobicContact CG1-CG2 3.58Å; F1070-I1076 WeakPolarHBondContact O-CA 3.23Å; L1071-I1076 HydrophobicContact CD1-CD1 4.03Å; L1071-I1076 HydrophobicContact CD1-CG1 3.72Å; I1076-L1078 HydrophobicContact CG2-CD1 4.3Å; I1076-L1176 HydrophobicContact CB-CB 4.28Å; I1076-L1176 PolarHBondContact N-O 3.04Å; I1076-L1176 PolarHBondContact O-N 2.83Å; I1076-L1178 HydrophobicContact CG1-CD1 4.49Å; I1076-I1181 HydrophobicContact CD1-CD1 3.59Å; I1076-I1181 HydrophobicContact CG1-CD1 4.37Å; I1076-I1196 HydrophobicContact CD1-CD1 3.6Å; I1076-I1222 HydrophobicContact CD1-CD1 4.08Å; I1076-I1222 HydrophobicContact CD1-CG1 4.27Å
1077L95.7Very high82.3Confident0 Ų043.6 Ų43.60%023%0.229CC..EExtended strand (participates in β ladder)trans-108.7115.4-176.2-53.3-174.6000110.4L1033 L1036 L1043 V1069 F1070 F1072 A1075 T1079 I1172 E1175L1033-L1077 HydrophobicContact CD1-CD1 3.58Å; L1036-L1077 HydrophobicContact CD2-CD1 3.81Å; L1043-L1077 HydrophobicContact CD1-CD1 4.29Å; L1043-L1077 HydrophobicContact CD2-CD1 4.12Å; L1043-L1077 HydrophobicContact CD2-CD2 4.23Å; L1043-L1077 HydrophobicContact CD2-CG 4.49Å; V1069-L1077 WeakPolarHBondContact CA-O 3.47Å; F1070-L1077 HydrophobicContact CB-CB 4.42Å; F1070-L1077 PolarHBondContact N-O 3.32Å; F1070-L1077 PolarHBondContact O-N 2.9Å; F1072-L1077 HydrophobicContact CD2-CD1 4.28Å; F1072-L1077 HydrophobicContact CD2-CG 4.33Å; F1072-L1077 HydrophobicContact CE2-CD1 3.68Å; F1072-L1077 HydrophobicContact CE2-CG 4.11Å; F1072-L1077 HydrophobicContact CZ-CD1 4.5Å; A1075-L1077 HydrophobicContact CB-CD2 4.38Å; L1077-T1079 HydrophobicContact CB-CG2 4.26Å; L1077-I1172 HydrophobicContact CD1-CD1 4.03Å; L1077-E1175 HydrophobicContact CD2-CB 3.94Å; L1077-E1175 HydrophobicContact CD2-CG 3.6Å
1078L95.1Very high79.2Confident5 Ų548.2 Ų48.23%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-92.6114.8174.6-67.263.8000107.9I1054 R1067 I1076 K1173 Q1174 L1176 Y1205 F1207I1054-L1078 HydrophobicContact CD1-CD2 3.57Å; I1054-L1078 HydrophobicContact CD1-CG 3.83Å; I1054-L1078 HydrophobicContact CG2-CD2 4.28Å; R1067-L1078 HydrophobicContact CG-CB 4.45Å; I1076-L1078 HydrophobicContact CG2-CD1 4.3Å; L1078-K1173 WeakPolarHBondContact O-CA 3.39Å; L1078-K1173 PolarHBondContact O-N 2.91Å; L1078-Q1174 HydrophobicContact CB-CB 4.1Å; L1078-Q1174 HydrophobicContact CD1-CB 4.39Å; L1078-Q1174 HydrophobicContact CD2-CB 4.2Å; L1078-Q1174 HydrophobicContact CG-CB 4.47Å; L1078-Q1174 PolarHBondContact N-O 2.94Å; L1078-Q1174 PolarHBondContact O-N 3.31Å; L1078-Q1174 VanDerWaalsContact O-N 3.12Å; L1078-L1176 HydrophobicContact CD1-CD1 3.74Å; L1078-L1176 HydrophobicContact CD1-CG 4.11Å; L1078-Y1205 HydrophobicContact CD2-CD1 3.92Å; L1078-Y1205 HydrophobicContact CD2-CE1 4.06Å; L1078-F1207 HydrophobicContact CD1-CZ 4.19Å; L1078-F1207 HydrophobicContact CD2-CZ 4.26Å; L1078-F1207 HydrophobicContact CG-CZ 4.32Å
1079T94.7Very high76.1Confident0 Ų053.3 Ų53.30%028%0.283CS..EExtended strand (participates in β ladder)trans-121.1162.6-171.175.90000113.1L1033 R1067 H1068 F1070 L1077 Y1170 E1171 I1172L1033-T1079 HydrophobicContact CD2-CG2 4.38Å; R1067-T1079 WeakPolarHBondContact CA-O 3.49Å; R1067-T1079 WeakPolarHBondContact CD-O 3.49Å; H1068-T1079 PolarHBondContact N-O 3.16Å; H1068-T1079 VanDerWaalsContact N-O 3.14Å; H1068-T1079 WeakPolarHBondContact O-CA 3.32Å; H1068-T1079 WeakPolarHBondContact O-CB 3.47Å; H1068-T1079 PolarHBondContact O-N 3.21Å; H1068-T1079 PolarHBondContact O-OG1 3.44Å; F1070-T1079 HydrophobicContact CD2-CG2 3.71Å; F1070-T1079 HydrophobicContact CE2-CG2 3.75Å; L1077-T1079 HydrophobicContact CB-CG2 4.26Å; T1079-Y1170 WeakPolarHBondContact OG1-CD1 3.34Å; T1079-E1171 CarbonylContact C-O 3.59Å; T1079-E1171 VanDerWaalsContact CA-O 3.27Å; T1079-E1171 WeakPolarHBondContact CA-O 3.27Å; T1079-E1171 WeakPolarHBondContact CB-O 3.38Å; T1079-I1172 HydrophobicContact CG2-CG1 3.96Å
1080K91.8Very high72.9Confident92 Ų9255.1 Ų55.140%0.430%0.295SS..EExtended strand (participates in β ladder)trans-114.2119.3165.9-177.7179.9177.5-176.30108.5E1171 K1173K1080-E1171 PolarHBondContact N-O 3.16Å; K1080-E1171 WeakPolarHBondContact O-CB 3.4Å; K1080-E1171 PolarHBondContact O-N 2.85Å; K1080-K1173 HydrophobicContact CB-CG 4.23Å
1081Y88.9Confident69.8Low111 Ų11160.7 Ų60.744%0.43533%0.329SS..EExtended strand (participates in β ladder)trans-61.3138.3170.6-176.4-115000110.9T1083 P1168 Y1170Y1081-T1083 HydrophobicContact CD1-CG2 4.45Å; Y1081-T1083 HydrophobicContact CE1-CG2 3.74Å; Y1081-P1168 HydrophobicContact CE2-CB 3.8Å; Y1081-P1168 HydrophobicContact CE2-CG 4.49Å; Y1081-P1168 VanDerWaalsContact OH-CB 3.29Å; Y1081-P1168 WeakPolarHBondContact OH-CB 3.33Å; Y1081-Y1170 AromaticContact CD2-CD1 3.99Å; Y1081-Y1170 HydrophobicContact CD2-CD1 3.99Å; Y1081-Y1170 HydrophobicContact CD2-CD2 4.46Å; Y1081-Y1170 AromaticContact CD2-CE1 3.57Å; Y1081-Y1170 HydrophobicContact CD2-CE1 3.57Å; Y1081-Y1170 HydrophobicContact CD2-CE2 4.1Å; Y1081-Y1170 HydrophobicContact CD2-CG 4.42Å; Y1081-Y1170 AromaticContact CD2-CZ 3.64Å; Y1081-Y1170 HydrophobicContact CE2-CE1 4.48Å; Y1081-Y1170 HydrophobicContact CE2-CE2 4.36Å; Y1081-Y1170 HydrophobicContact CG-CE1 4.19Å
1082R83.3Confident66.7Low82 Ų8262.4 Ų62.431%0.30934%0.337SS..EExtended strand (participates in β ladder)trans-126.9105.9178-64.3-59.1-166136.613.2109P1168 Y1169 E1171R1082-P1168 VanDerWaalsContact O-CA 3.31Å; R1082-P1168 WeakPolarHBondContact O-CA 3.48Å; R1082-Y1169 HydrophobicContact CB-CD1 4.18Å; R1082-Y1169 HydrophobicContact CB-CD2 4.14Å; R1082-Y1169 HydrophobicContact CB-CE1 3.84Å; R1082-Y1169 HydrophobicContact CB-CE2 3.8Å; R1082-Y1169 HydrophobicContact CB-CG 4.32Å; R1082-Y1169 HydrophobicContact CG-CD2 4.34Å; R1082-Y1169 HydrophobicContact CG-CE2 3.72Å; R1082-Y1169 PolarHBondContact N-O 2.87Å; R1082-Y1169 PolarHBondContact O-N 3.44Å; R1082-Y1169 VanDerWaalsContact O-N 3.08Å; R1082-E1171 HydrophobicContact CG-CB 3.98Å; R1082-E1171 IonicContact CZ-OE2 2.75Å; R1082-E1171 IonicContact NE-OE2 2.69Å; R1082-E1171 PolarHBondContact NE-OE2 3.15Å; R1082-E1171 IonicContact NH2-OE1 2.68Å; R1082-E1171 PolarHBondContact NH2-OE1 3.09Å; R1082-E1171 IonicContact NH2-OE2 3.8Å; R1082-E1171 PolarHBondContact NH2-OE2 2.67Å
1083T70.3Confident63.6Low102 Ų10265.3 Ų65.363%0.62635%0.352SS*.PPolyproline II helixtrans-60.9140.9155.446.20000108.7Y1081 P1085Y1081-T1083 HydrophobicContact CD1-CG2 4.45Å; Y1081-T1083 HydrophobicContact CE1-CG2 3.74Å; T1083-P1085 WeakPolarHBondContact O-CD 3.18Å
1084S56.4Low60.4Low48 Ų4870.9 Ų70.934%0.33638%0.381SS..PPolyproline II helixtrans-67.1123.2-175.2-177.20000111.8S1166S1084-S1166 WeakPolarHBondContact CB-O 3.34Å; S1084-S1166 PolarHBondContact OG-O 2.98Å; S1084-S1166 PolarHBondContact OG-OG 3.38Å
1085P39.6Very low57.2Low91 Ų9173.2 Ų73.259%0.59140%0.402SS*.PPolyproline II helixtrans-91.1124.7170.333.9-27.4000110.6T1083T1083-P1085 WeakPolarHBondContact O-CD 3.18Å
1086N32.9Very low54Low158 Ų15878.2 Ų78.285%0.84544%0.436SS*.SBendtrans29.695.2160.2-63.3-2.4000118.2I1088N1086-I1088 PolarHBondContact O-N 3.47Å
1087S30.2Very low50.7Low58 Ų5884 Ų8441%0.40647%0.472SS..  trans35.183.8147-173.70000117.2I1089S1087-I1089 PolarHBondContact O-N 3.39Å
1088I29.8Very low47.6Very low147 Ų14789.8 Ų89.875%0.75451%0.507SS*.  trans-71.7112.8160.9-61.9178.8000107.7N1086N1086-I1088 PolarHBondContact O-N 3.47Å
1089I30.4Very low44.3Very low129 Ų12994.3 Ų94.366%0.66253%0.53SS*.  trans-59.1135.2-171.8-62.9168.8000111S1087 V1091S1087-I1089 PolarHBondContact O-N 3.39Å; I1089-V1091 PolarHBondContact O-N 3Å; I1089-V1091 VanDerWaalsContact O-N 3.11Å
1090P28.4Very low41Very low37 Ų37101 Ų10124%0.2457%0.566CS.*  trans-67.4108.9173.328.3-34.8000110.9L1092 F1164P1090-L1092 HydrophobicContact CB-CB 4.24Å; P1090-L1092 HydrophobicContact CB-CD1 4.33Å; P1090-L1092 PolarHBondContact O-N 3.14Å; P1090-F1164 HydrophobicContact CB-CD2 3.78Å; P1090-F1164 HydrophobicContact CB-CE2 3.65Å; P1090-F1164 HydrophobicContact CB-CZ 4.42Å; P1090-F1164 HydrophobicContact CG-CD2 3.78Å; P1090-F1164 HydrophobicContact CG-CE2 3.77Å
1091V31.3Very low38Very low120 Ų120101.1 Ų101.173%0.72758%0.578SS**  trans-79.862.6167.6-172.20000108.6R870 I1089R870-V1091 PolarHBondContact NH1-O 3.26Å; I1089-V1091 PolarHBondContact O-N 3Å; I1089-V1091 VanDerWaalsContact O-N 3.11Å
1092L31.2Very low35.1Very low35 Ų3599 Ų9918%0.18358%0.583CS.*  trans-151.2122.4-169.2-64.1166.6000106.4F863 R870 L928 P1090F863-L1092 HydrophobicContact CE1-CD2 4.41Å; F863-L1092 HydrophobicContact CE2-CD2 3.59Å; F863-L1092 HydrophobicContact CZ-CD2 3.32Å; R870-L1092 VanDerWaalsContact NH1-CD2 3.25Å; L928-L1092 HydrophobicContact CD1-CD1 3.99Å; L928-L1092 HydrophobicContact CD1-CD2 4.39Å; L928-L1092 HydrophobicContact CD2-CD1 4.28Å; L928-L1092 HydrophobicContact CD2-CD2 4.32Å; P1090-L1092 HydrophobicContact CB-CB 4.24Å; P1090-L1092 HydrophobicContact CB-CD1 4.33Å; P1090-L1092 PolarHBondContact O-N 3.14Å
1093I29.6Very low32.4Very low61 Ų61103.5 Ų103.531%0.31361%0.612SS.*SBendtrans65.168-171.2-39.6175.7000113.9L932 D935 Y938L932-I1093 HydrophobicContact CD2-CD1 4.38Å; D935-I1093 HydrophobicContact CB-CD1 4.33Å; Y938-I1093 HydrophobicContact CD2-CD1 4.35Å; Y938-I1093 HydrophobicContact CD2-CG1 4.48Å; Y938-I1093 HydrophobicContact CE2-CD1 4.27Å; Y938-I1093 HydrophobicContact CE2-CG1 3.96Å; Y938-I1093 HydrophobicContact CE2-CG2 4.29Å
1094N26.3Very low30.5Very low152 Ų152102.4 Ų102.481%0.81361%0.609SS**  trans-167.780.1142.7-109.3-29.4000112.4
1095S25.3Very low29.3Very low105 Ų105106.3 Ų106.373%0.73463%0.625SS**SBendtrans-146103.8166.8-61.40000108.5
1096S26.1Very low28.8Very low109 Ų109108.7 Ų108.776%0.76263%0.632SS**SBendtrans61.4140.6-176.745.40000118.3
1097T27.7Very low28.5Very low123 Ų123106 Ų10676%0.75563%0.626SS**  trans62.894.1170.422.40000118.9
1098V30.3Very low28.5Very low121 Ų121111.4 Ų111.473%0.73364%0.644SS**  -169141.3109.2143.80000109.2I937I937-V1098 HydrophobicContact CD1-CG2 4.03Å
1099I26.4Very low28.5Very low99 Ų99109.8 Ų109.851%0.50864%0.637SS.*  trans-111.5149.2176.5-75.8171000108.7N464N464-I1099 HydrophobicContact CB-CD1 4.49Å
1100N25.9Very low28.6Very low142 Ų142111.6 Ų111.676%0.75964%0.643SS**  trans65105.5172.8-64.4-15.5000118.7
1101S27.5Very low28.6Very low94 Ų94114.3 Ų114.366%0.65766%0.662SS**  -172.3143.5114.330.20000113.5
1102A29.1Very low28.3Very low65 Ų65114.3 Ų114.354%0.53766%0.662SS.*  trans63.669.7161.500000119.5
1103I26.5Very low28.2Very low178 Ų178119.6 Ų119.691%0.91369%0.691SS**  trans-88.9121.4137.5-65174.8000107.3
1104S29.4Very low28.1Very low79 Ų79121.2 Ų121.255%0.55271%0.707SS**  trans-168.7157159.248.40000112.2
1105N31.4Very low28.1Very low129 Ų129123.9 Ų123.969%0.6971%0.707SS**  trans73.691175.7-53.5-16.5000114.7
1106I29.1Very low28.1Very low142 Ų142125.3 Ų125.373%0.72870%0.703SS**  73.9104.977.4-65.1163.8000109.1
1107S27.7Very low28Very low102 Ų102128.4 Ų128.471%0.71370%0.702SS**  62.1143.585.6-45.40000112.6
1108Q28.5Very low28Very low170 Ų170128.6 Ų128.679%0.79471%0.708SS**  cis-156.8-176.517.9-153.3164-38.700110.9
1109D29.4Very low27.6Very low114 Ų114128.6 Ų128.661%0.6171%0.709SS**  trans104.3116152.1-61.3-12.3000121.4
1110H32.7Very low27.5Very low167 Ų167130.5 Ų130.577%0.77372%0.72SS**  trans53.6141.4137.3-51.1-40.7000122.2
1111S28.2Very low27.4Very low93 Ų93128.9 Ų128.965%0.6572%0.716SS**  cis-172136.7-17.152.80000111.5
1112V26.6Very low27.3Very low120 Ų120134.5 Ų134.573%0.72772%0.724SS**  trans64.4138.1134.5175.60000120.2
1113D28.5Very low27Very low147 Ų147136 Ų13679%0.78673%0.731SS**  trans66.8150.9163.6-71.5-15.5000118.8
1114S27.5Very low27Very low94 Ų94131.4 Ų131.466%0.65772%0.719SS**  cis-164.7144.9-8.446.30000112.9
1115Y26.9Very low26.8Very low208 Ų208137.8 Ų137.882%0.81673%0.733SS**  trans64.9123.5145-82.1-114.8000123.9
1116E25.5Very low26.5Very low135 Ų135137.5 Ų137.563%0.63173%0.731SS**  trans60.8131.7135-68.1-153108.200126.5
1117K24Very low26.4Very low175 Ų175139.7 Ų139.776%0.76174%0.738SS**  trans9.1128.3137.9-54.2169.9-167.7135.10118.9
1118S26.5Very low26.2Very low126 Ų126139.1 Ų139.188%0.88173%0.734SS**  -169.3172.3117.534.40000112
1119T22.8Very low26.1Very low121 Ų121138.1 Ų138.174%0.74273%0.734SS**  trans-100.4176.8-172.748.50000113.1
1120N24.9Very low25.9Very low139 Ų139139.8 Ų139.874%0.74374%0.744SS**  trans92.3122.8172.6-55.9-54.2000114.6
1121T22.9Very low25.5Very low108 Ų108136.1 Ų136.166%0.66374%0.742SS**  92.7149.559-59.50000110.6
1122Y25.4Very low25.3Very low212 Ų212137.7 Ų137.783%0.83175%0.753SS**  trans73.1129.2-168.9-54-82.8000113.3
1123S23.2Very low25.2Very low97 Ų97135.2 Ų135.268%0.67875%0.752SS**  cis118.4146.34.171.40000112.1
1124A25.2Very low25Very low82 Ų82134.2 Ų134.268%0.67875%0.751SS**  trans73.6161.8175.900000114.1
1125Y25.5Very low24.8Very low212 Ų212135.6 Ų135.683%0.83176%0.756SS**  cis-131166.214.7-115.5-80.1000115.6
1126N24.9Very low24.7Very low124 Ų124131 Ų13166%0.66375%0.754SS**  trans-64155.1-177-46.1-41.1000115.1
1127Q27.2Very low24.7Very low187 Ų187132.1 Ų132.187%0.87476%0.764SS**  -175109.5117.4-95.6159.244.700108
1128S23.2Very low24.8Very low90 Ų90130.1 Ų130.163%0.62976%0.761SS**  64.497.36477.90000115
1129N27.4Very low24.8Very low149 Ų149131.2 Ų131.280%0.79776%0.756SS**  trans-175.9116.4134.3-94.8-27.2000113.7
1130N24.7Very low25Very low150 Ų150128.7 Ų128.780%0.80275%0.748SS**  trans43.4156.4132.1-59.3-12.6000124.1
1131A25.3Very low25.1Very low89 Ų89129.6 Ų129.674%0.73675%0.745SS**  trans70.5122.9179.200000114.8
1132S22.6Very low25.4Very low126 Ų126130.1 Ų130.188%0.88175%0.748SS**  cis66.271.930.9940000113.6
1133G24.5Very low25.5Very low68 Ų68127.5 Ų127.570%0.70174%0.741SS**  trans-159.4120.317800000112.9
1134T24.3Very low25.7Very low126 Ų126127 Ų12777%0.77374%0.738SS**  trans-0.7128.514540.70000118.8
1135T23.8Very low25.7Very low124 Ų124130.8 Ų130.876%0.76175%0.746SS**SBend25.5136.6128.257.80000119.8
1136S25.2Very low25.8Very low111 Ų111126.5 Ų126.578%0.77674%0.742SS**  trans83.9117177.880.90000115.6
1137N24.6Very low25.8Very low158 Ų158125.4 Ų125.485%0.84574%0.744SS**  trans-171.612.8156.8-105-37.3000114.7
1138L26.1Very low25.8Very low134 Ų134122.5 Ų122.570%0.70274%0.744SS**  trans-98.218.6-177.8-92.6167.9000115.1A1140L1138-A1140 VanDerWaalsContact C-N 3.35Å
1139L27.3Very low26.1Very low149 Ų149124.2 Ų124.278%0.7876%0.756SS**SBendtrans-929173.3-144.583.6000113.6
1140A26.7Very low26Very low67 Ų67120 Ų12055%0.55475%0.748SS**  trans-90.9-25.8-168.800000114.9L1138 T1142L1138-A1140 VanDerWaalsContact C-N 3.35Å; A1140-T1142 VanDerWaalsContact C-N 3.35Å; A1140-T1142 PolarHBondContact O-N 3.25Å
1141F28Very low26.2Very low159 Ų159120.6 Ų120.670%0.69775%0.751SS**THydrogen-bonded Turntrans-78.2-11.6-166.7-115.9-93.8000115.5
1142T28.7Very low26.4Very low118 Ų118123.5 Ų123.572%0.72476%0.755SS**THydrogen-bonded Turntrans-97.86.1-179.4500000114.2A1140A1140-T1142 VanDerWaalsContact C-N 3.35Å; A1140-T1142 PolarHBondContact O-N 3.25Å
1143K27.8Very low26.6Very low157 Ų157123.3 Ų123.368%0.68375%0.753SS**SBendtrans-115.9-2.9-176.5-77.7-174.5173.8-179.70115.9
1144S26.7Very low26.8Very low86 Ų86127.2 Ų127.260%0.60176%0.758SS**SBendtrans-92.8-0.3-175.955.60000115.4
1145L26.4Very low27Very low162 Ų162128.7 Ų128.785%0.84876%0.761SS**SBendtrans-112.810-174-79.9163.8000114.5
1146T26.1Very low27Very low123 Ų123130.8 Ų130.876%0.75577%0.767SS**SBendtrans-134.830.5-172.648.20000114.4
1147S24.9Very low27.1Very low101 Ų101131.8 Ų131.871%0.70677%0.768SS**  trans-154.470.7-177.149.80000116
1148S28.5Very low27.3Very low125 Ų125128 Ų12887%0.87475%0.752SS**  trans-14991.8161.762.90000111.9
1149S27.6Very low27.4Very low127 Ų127127.9 Ų127.989%0.88876%0.757SS**  trans-103.2135.6175.2-175.10000111.1
1150G25.7Very low27.4Very low61 Ų61128.8 Ų128.863%0.62976%0.763SS**  trans57.6112.1155.200000119.1
1151N30.6Very low27.5Very low162 Ų162132.1 Ų132.187%0.86677%0.77SS**  -163.8156.2102.1-100.8-41.5000113.9
1152N27.9Very low27.5Very low150 Ų150128.3 Ų128.380%0.80276%0.761SS**  trans-67.9140.7-171.4-53.2-39.7000113.5
1153S28.4Very low27.4Very low122 Ų122127.3 Ų127.385%0.85376%0.755SS**  -167.5150.6118.130.50000112
1154N26.7Very low28Very low150 Ų150121.6 Ų121.680%0.80273%0.73SS**  trans-69.8131.1-168.7-49.5-32.3000112.7
1155N28.7Very low28.5Very low157 Ų157122.5 Ų122.584%0.8473%0.732SS**  -172.5151.2126-92.7-24000110.7
1156L24.8Very low29.7Very low168 Ų168117.7 Ų117.788%0.8871%0.712SS**  trans-100.3128.2-177.7-65.3104.8000111.9
1157T27.4Very low31.5Very low131 Ų131116.6 Ų116.680%0.80470%0.701SS**  trans-142.2139.7166.151.70000109.5T1159T1157-T1159 PolarHBondContact O-N 2.92Å
1158P29.4Very low33.8Very low79 Ų79114.1 Ų114.151%0.51368%0.683SS.*  trans-75.5117-170.328.4-34.1000114
1159T28.1Very low36.5Very low131 Ų131111.1 Ų111.180%0.80465%0.653SS**  trans35.194.8149.452.90000118.6T1157T1157-T1159 PolarHBondContact O-N 2.92Å
1160N27.3Very low39.5Very low169 Ų169106.9 Ų106.990%0.90462%0.618SS**  trans-62.4132.5159.7-80.3-39.2000111.3
1161I28.7Very low42.6Very low137 Ų137105.9 Ų105.970%0.70360%0.597SS**  trans-72132.7170.4-59.2171.7000108.6T1163I1161-T1163 PolarHBondContact O-N 2.92Å
1162P28Very low45.6Very low79 Ų7999.1 Ų99.151%0.51356%0.561SS.*  trans-68.3115.9177.227.3-33.5000111.1F1164P1162-F1164 HydrophobicContact CG-CE2 4.25Å; P1162-F1164 VanDerWaalsContact O-CD2 3.28Å; P1162-F1164 WeakPolarHBondContact O-CD2 3.24Å; P1162-F1164 PolarHBondContact O-N 2.73Å
1163T26.9Very low48.6Very low97 Ų9796.4 Ų96.460%0.59554%0.542SS*.  trans-76.3108.4169.7400000109.7I1161 T1165I1161-T1163 PolarHBondContact O-N 2.92Å; T1163-T1165 PolarHBondContact O-N 3.02Å
1164F40.1Very low51.6Low36 Ų3693.5 Ų93.516%0.15852%0.515CS..  trans-67.999.6179.3-71.2-106.8000109.9Q927 P1090 P1162 S1166Q927-F1164 HydrophobicContact CB-CD1 3.84Å; Q927-F1164 HydrophobicContact CB-CE1 3.52Å; Q927-F1164 HydrophobicContact CB-CZ 4.49Å; Q927-F1164 VanDerWaalsContact OE1-CD1 3.25Å; P1090-F1164 HydrophobicContact CB-CD2 3.78Å; P1090-F1164 HydrophobicContact CB-CE2 3.65Å; P1090-F1164 HydrophobicContact CB-CZ 4.42Å; P1090-F1164 HydrophobicContact CG-CD2 3.78Å; P1090-F1164 HydrophobicContact CG-CE2 3.77Å; P1162-F1164 HydrophobicContact CG-CE2 4.25Å; P1162-F1164 VanDerWaalsContact O-CD2 3.28Å; P1162-F1164 WeakPolarHBondContact O-CD2 3.24Å; P1162-F1164 PolarHBondContact O-N 2.73Å; F1164-S1166 PolarHBondContact O-N 2.92Å
1165T35.7Very low54.7Low105 Ų10588.2 Ų88.264%0.64449%0.485SS*.  trans-79.6114.2175.848.50000109.8T1163T1163-T1165 PolarHBondContact O-N 3.02Å
1166S53.3Low57.8Low61 Ų6181 Ų8143%0.42745%0.447SS..PPolyproline II helixtrans-70138.317055.50000110.2S1084 F1164S1084-S1166 WeakPolarHBondContact CB-O 3.34Å; S1084-S1166 PolarHBondContact OG-O 2.98Å; S1084-S1166 PolarHBondContact OG-OG 3.38Å; F1164-S1166 PolarHBondContact O-N 2.92Å
1167L63.2Low61Low100 Ų10077.3 Ų77.352%0.52442%0.424SS..PPolyproline II helixtrans-60.1150.6171.7-76.4169.2000110.8D923D923-L1167 VanDerWaalsContact OD2-CD1 3.23Å; D923-L1167 WeakPolarHBondContact OD2-CD1 3.4Å
1168P73.1Confident64Low50 Ų5071.3 Ų71.333%0.32539%0.387SS..PPolyproline II helixtrans-61.5148.817229.4-35.8000110.6Y1081 R1082Y1081-P1168 HydrophobicContact CE2-CB 3.8Å; Y1081-P1168 HydrophobicContact CE2-CG 4.49Å; Y1081-P1168 VanDerWaalsContact OH-CB 3.29Å; Y1081-P1168 WeakPolarHBondContact OH-CB 3.33Å; R1082-P1168 VanDerWaalsContact O-CA 3.31Å; R1082-P1168 WeakPolarHBondContact O-CA 3.48Å
1169Y85.2Confident66.8Low62 Ų6270.1 Ų70.124%0.24338%0.381CS..EExtended strand (participates in β ladder)trans-143.1164.1-173.166.1-90.9000112.4Q1032 R1034 R1082 E1171Q1032-Y1169 WeakPolarHBondContact O-CB 3.37Å; R1034-Y1169 HydrophobicContact CB-CD2 3.87Å; R1034-Y1169 HydrophobicContact CB-CE2 4.23Å; R1034-Y1169 HydrophobicContact CG-CD2 3.5Å; R1034-Y1169 HydrophobicContact CG-CE2 4.14Å; R1034-Y1169 HydrophobicContact CG-CG 3.91Å; R1082-Y1169 HydrophobicContact CB-CD1 4.18Å; R1082-Y1169 HydrophobicContact CB-CD2 4.14Å; R1082-Y1169 HydrophobicContact CB-CE1 3.84Å; R1082-Y1169 HydrophobicContact CB-CE2 3.8Å; R1082-Y1169 HydrophobicContact CB-CG 4.32Å; R1082-Y1169 HydrophobicContact CG-CD2 4.34Å; R1082-Y1169 HydrophobicContact CG-CE2 3.72Å; R1082-Y1169 PolarHBondContact N-O 2.87Å; R1082-Y1169 PolarHBondContact O-N 3.44Å; R1082-Y1169 VanDerWaalsContact O-N 3.08Å; Y1169-E1171 HydrophobicContact CD2-CB 4.46Å; Y1169-E1171 HydrophobicContact CE2-CB 4.07Å
1170Y90.7Very high69.7Low37 Ų3768.6 Ų68.615%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-104.5113.1176.4-66.2-89000109.9Q1032 R1034 H1068 F1070 T1079 Y1081Q1032-Y1170 HydrophobicContact CB-CD2 4.21Å; Q1032-Y1170 PolarHBondContact O-N 3.14Å; R1034-Y1170 PolarHBondContact N-O 2.93Å; H1068-Y1170 HydrophobicContact CB-CD1 4.11Å; H1068-Y1170 HydrophobicContact CB-CE1 3.85Å; H1068-Y1170 AromaticContact CD2-CE1 3.72Å; H1068-Y1170 AromaticContact CG-CE1 3.73Å; F1070-Y1170 AromaticContact CE2-CD1 3.79Å; F1070-Y1170 HydrophobicContact CE2-CD1 3.79Å; F1070-Y1170 HydrophobicContact CE2-CD2 4.26Å; F1070-Y1170 HydrophobicContact CE2-CE1 4.33Å; F1070-Y1170 AromaticContact CE2-CG 3.74Å; F1070-Y1170 HydrophobicContact CE2-CG 3.74Å; F1070-Y1170 AromaticContact CZ-CD1 3.78Å; F1070-Y1170 HydrophobicContact CZ-CD1 3.78Å; F1070-Y1170 AromaticContact CZ-CD2 3.71Å; F1070-Y1170 HydrophobicContact CZ-CD2 3.71Å; F1070-Y1170 AromaticContact CZ-CE1 3.95Å; F1070-Y1170 HydrophobicContact CZ-CE1 3.95Å; F1070-Y1170 AromaticContact CZ-CE2 3.89Å; F1070-Y1170 HydrophobicContact CZ-CE2 3.89Å; F1070-Y1170 AromaticContact CZ-CG 3.65Å; F1070-Y1170 HydrophobicContact CZ-CG 3.65Å; F1070-Y1170 AromaticContact CZ-CZ 4Å; T1079-Y1170 WeakPolarHBondContact OG1-CD1 3.34Å; Y1081-Y1170 AromaticContact CD2-CD1 3.99Å; Y1081-Y1170 HydrophobicContact CD2-CD1 3.99Å; Y1081-Y1170 HydrophobicContact CD2-CD2 4.46Å; Y1081-Y1170 AromaticContact CD2-CE1 3.57Å; Y1081-Y1170 HydrophobicContact CD2-CE1 3.57Å; Y1081-Y1170 HydrophobicContact CD2-CE2 4.1Å; Y1081-Y1170 HydrophobicContact CD2-CG 4.42Å; Y1081-Y1170 AromaticContact CD2-CZ 3.64Å; Y1081-Y1170 HydrophobicContact CE2-CE1 4.48Å; Y1081-Y1170 HydrophobicContact CE2-CE2 4.36Å; Y1081-Y1170 HydrophobicContact CG-CE1 4.19Å
1171E90.8Very high72.8Confident40 Ų4061.3 Ų61.319%0.18732%0.324CS..EExtended strand (participates in β ladder)trans-84.6115.9178.1-173.6-166.1-16600109.3T1079 K1080 R1082 Y1169 K1173T1079-E1171 CarbonylContact C-O 3.59Å; T1079-E1171 VanDerWaalsContact CA-O 3.27Å; T1079-E1171 WeakPolarHBondContact CA-O 3.27Å; T1079-E1171 WeakPolarHBondContact CB-O 3.38Å; K1080-E1171 PolarHBondContact N-O 3.16Å; K1080-E1171 WeakPolarHBondContact O-CB 3.4Å; K1080-E1171 PolarHBondContact O-N 2.85Å; R1082-E1171 HydrophobicContact CG-CB 3.98Å; R1082-E1171 IonicContact CZ-OE2 2.75Å; R1082-E1171 IonicContact NE-OE2 2.69Å; R1082-E1171 PolarHBondContact NE-OE2 3.15Å; R1082-E1171 IonicContact NH2-OE1 2.68Å; R1082-E1171 PolarHBondContact NH2-OE1 3.09Å; R1082-E1171 IonicContact NH2-OE2 3.8Å; R1082-E1171 PolarHBondContact NH2-OE2 2.67Å; Y1169-E1171 HydrophobicContact CD2-CB 4.46Å; Y1169-E1171 HydrophobicContact CE2-CB 4.07Å; E1171-K1173 WeakPolarHBondContact OE1-CE 3.4Å; E1171-K1173 IonicContact OE1-NZ 3.98Å; E1171-K1173 PolarHBondContact OE1-NZ 3.32Å; E1171-K1173 WeakPolarHBondContact OE2-CE 3.46Å; E1171-K1173 IonicContact OE2-NZ 2.63Å; E1171-K1173 PolarHBondContact OE2-NZ 3.38Å
1172I92.6Very high75.8Confident21 Ų2155.2 Ų55.211%0.10830%0.295CS..EExtended strand (participates in β ladder)trans-66.8137.5179.7-67.9163.3000110.1L1033 R1034 L1036 L1077 T1079L1033-I1172 HydrophobicContact CB-CD1 4.26Å; R1034-I1172 PolarHBondContact O-N 3.38Å; L1036-I1172 HydrophobicContact CB-CD1 4.26Å; L1036-I1172 HydrophobicContact CD2-CD1 3.53Å; L1036-I1172 HydrophobicContact CG-CD1 3.6Å; L1077-I1172 HydrophobicContact CD1-CD1 4.03Å; T1079-I1172 HydrophobicContact CG2-CG1 3.96Å
1173K92.4Very high78.9Confident93 Ų9352.5 Ų52.540%0.40428%0.276SS..EExtended strand (participates in β ladder)trans-126.2-19.6-179.6-67.2-62.2169.7-1570114.3L1078 K1080 E1171L1078-K1173 WeakPolarHBondContact O-CA 3.39Å; L1078-K1173 PolarHBondContact O-N 2.91Å; K1080-K1173 HydrophobicContact CB-CG 4.23Å; E1171-K1173 WeakPolarHBondContact OE1-CE 3.4Å; E1171-K1173 IonicContact OE1-NZ 3.98Å; E1171-K1173 PolarHBondContact OE1-NZ 3.32Å; E1171-K1173 WeakPolarHBondContact OE2-CE 3.46Å; E1171-K1173 IonicContact OE2-NZ 2.63Å; E1171-K1173 PolarHBondContact OE2-NZ 3.38Å
1174Q91.3Very high82.1Confident61 Ų6149.5 Ų49.529%0.28526%0.258SS..EExtended strand (participates in β ladder)trans-154.4136.1163-176.1685800108L1078 L1176 Y1205L1078-Q1174 HydrophobicContact CB-CB 4.1Å; L1078-Q1174 HydrophobicContact CD1-CB 4.39Å; L1078-Q1174 HydrophobicContact CD2-CB 4.2Å; L1078-Q1174 HydrophobicContact CG-CB 4.47Å; L1078-Q1174 PolarHBondContact N-O 2.94Å; L1078-Q1174 PolarHBondContact O-N 3.31Å; L1078-Q1174 VanDerWaalsContact O-N 3.12Å; Q1174-L1176 HydrophobicContact CG-CD2 3.64Å; Q1174-L1176 HydrophobicContact CG-CG 3.92Å; Q1174-Y1205 HydrophobicContact CG-CE1 4.2Å; Q1174-Y1205 WeakPolarHBondContact CG-OH 3.47Å; Q1174-Y1205 PolarHBondContact OE1-OH 3.39Å
1175E92.4Very high84.5Confident39 Ų3950 Ų5018%0.18227%0.265CS..EExtended strand (participates in β ladder)trans-104.4132.9165-179.9156.8-164.300107.5S1037 V1038 L1077S1037-E1175 WeakPolarHBondContact CB-OE2 3.36Å; S1037-E1175 PolarHBondContact N-OE2 2.66Å; S1037-E1175 VanDerWaalsContact OG-CD 3.32Å; S1037-E1175 PolarHBondContact OG-OE2 3.09Å; V1038-E1175 WeakPolarHBondContact CG2-OE1 3.38Å; L1077-E1175 HydrophobicContact CD2-CB 3.94Å; L1077-E1175 HydrophobicContact CD2-CG 3.6Å
1176L92.7Very high87Confident6 Ų651.2 Ų51.23%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-126103.8178.3-61178.2000108.5A1075 I1076 L1078 Q1174 L1178 I1181 T1198 Y1205A1075-L1176 CarbonylContact C-O 3.59Å; A1075-L1176 WeakPolarHBondContact CA-O 3.46Å; I1076-L1176 HydrophobicContact CB-CB 4.28Å; I1076-L1176 PolarHBondContact N-O 3.04Å; I1076-L1176 PolarHBondContact O-N 2.83Å; L1078-L1176 HydrophobicContact CD1-CD1 3.74Å; L1078-L1176 HydrophobicContact CD1-CG 4.11Å; Q1174-L1176 HydrophobicContact CG-CD2 3.64Å; Q1174-L1176 HydrophobicContact CG-CG 3.92Å; L1176-L1178 PolarHBondContact O-N 2.97Å; L1176-I1181 HydrophobicContact CB-CG2 4.14Å; L1176-T1198 HydrophobicContact CD2-CG2 3.98Å; L1176-Y1205 HydrophobicContact CD1-CD2 4.28Å; L1176-Y1205 HydrophobicContact CD1-CE2 4.31Å; L1176-Y1205 HydrophobicContact CD2-CE2 3.8Å
1177E91.4Very high88.4Confident89 Ų8949.6 Ų49.642%0.41625%0.248SC..EExtended strand (participates in β ladder)trans-67.8128.6176.7-167.8-171.8148.600110.4S1179 K1180E1177-S1179 WeakPolarHBondContact CG-OG 3.44Å; E1177-S1179 PolarHBondContact O-N 3.47Å; E1177-S1179 PolarHBondContact OE1-OG 2.97Å; E1177-K1180 HydrophobicContact CB-CD 4.37Å; E1177-K1180 PolarHBondContact O-N 2.82Å; E1177-K1180 IonicContact OE1-NZ 3.12Å; E1177-K1180 WeakPolarHBondContact OE2-CD 3.31Å; E1177-K1180 WeakPolarHBondContact OE2-CE 3.45Å; E1177-K1180 IonicContact OE2-NZ 3Å; E1177-K1180 PolarHBondContact OE2-NZ 3.25Å
1178L90.6Very high89.1Confident5 Ų553.1 Ų53.13%0.02626%0.262CS..G310 helixtrans-63-29.5-172.7-161.3106.7000112.4N1074 I1076 L1176 K1180 I1181 L1225 L1226N1074-L1178 WeakPolarHBondContact O-CB 3.49Å; N1074-L1178 PolarHBondContact O-N 3.15Å; I1076-L1178 HydrophobicContact CG1-CD1 4.49Å; L1176-L1178 PolarHBondContact O-N 2.97Å; L1178-K1180 PolarHBondContact O-N 3.4Å; L1178-K1180 VanDerWaalsContact O-N 3.13Å; L1178-I1181 HydrophobicContact CD1-CD1 3.94Å; L1178-I1181 HydrophobicContact CG-CD1 4.21Å; L1178-I1181 HydrophobicContact CG-CG1 4.44Å; L1178-I1181 WeakPolarHBondContact O-CG1 3.4Å; L1178-I1181 PolarHBondContact O-N 3.35Å; L1178-L1225 HydrophobicContact CD1-CB 4.3Å; L1178-L1225 HydrophobicContact CD1-CD1 4.01Å; L1178-L1225 HydrophobicContact CD2-CB 3.73Å; L1178-L1226 HydrophobicContact CD2-CD2 4.13Å; L1178-L1226 HydrophobicContact CG-CD2 4.2Å
1179S88.2Confident89.3Confident55 Ų5554.2 Ų54.239%0.38528%0.281SS..G310 helixtrans-61.6-18.3175.173.60000114.2E1177E1177-S1179 WeakPolarHBondContact CG-OG 3.44Å; E1177-S1179 PolarHBondContact O-N 3.47Å; E1177-S1179 PolarHBondContact OE1-OG 2.97Å
1180K88.6Confident89.3Confident98 Ų9853.7 Ų53.743%0.42628%0.283SS..G310 helixtrans-119.812.6-171.2-71.4160.8-169.1164.10113E1177 L1178 T1198 A1199E1177-K1180 HydrophobicContact CB-CD 4.37Å; E1177-K1180 PolarHBondContact O-N 2.82Å; E1177-K1180 IonicContact OE1-NZ 3.12Å; E1177-K1180 WeakPolarHBondContact OE2-CD 3.31Å; E1177-K1180 WeakPolarHBondContact OE2-CE 3.45Å; E1177-K1180 IonicContact OE2-NZ 3Å; E1177-K1180 PolarHBondContact OE2-NZ 3.25Å; L1178-K1180 PolarHBondContact O-N 3.4Å; L1178-K1180 VanDerWaalsContact O-N 3.13Å; K1180-T1198 CarbonylContact O-C 3.56Å; K1180-T1198 WeakPolarHBondContact O-CA 3.38Å; K1180-A1199 PolarHBondContact O-N 3.41Å
1181I92.3Very high89.3Confident17 Ų1761.2 Ų61.29%0.08731%0.311CS..EExtended strand (participates in β ladder)trans-112.3156.9175.168.2175.4000113I1076 L1176 L1178 I1196 W1197 I1222 L1226I1076-I1181 HydrophobicContact CD1-CD1 3.59Å; I1076-I1181 HydrophobicContact CG1-CD1 4.37Å; L1176-I1181 HydrophobicContact CB-CG2 4.14Å; L1178-I1181 HydrophobicContact CD1-CD1 3.94Å; L1178-I1181 HydrophobicContact CG-CD1 4.21Å; L1178-I1181 HydrophobicContact CG-CG1 4.44Å; L1178-I1181 WeakPolarHBondContact O-CG1 3.4Å; L1178-I1181 PolarHBondContact O-N 3.35Å; I1181-I1196 HydrophobicContact CB-CG2 3.72Å; I1181-I1196 HydrophobicContact CD1-CG2 3.79Å; I1181-I1196 HydrophobicContact CG1-CG2 4.26Å; I1181-I1196 HydrophobicContact CG2-CG2 3.85Å; I1181-W1197 CarbonylContact C-O 3.54Å; I1181-W1197 VanDerWaalsContact CA-O 3.27Å; I1181-W1197 WeakPolarHBondContact CA-O 3.24Å; I1181-I1222 HydrophobicContact CD1-CG2 4.39Å; I1181-L1226 HydrophobicContact CG1-CD2 4.42Å
1182G92Very high89.4Confident8 Ų864.9 Ų64.98%0.08232%0.323CS..EExtended strand (participates in β ladder)trans-126.3158.9159.800000111.1I1196 W1197G1182-I1196 WeakPolarHBondContact O-CA 3.48Å; G1182-W1197 PolarHBondContact N-O 3.12Å; G1182-W1197 PolarHBondContact O-N 3.38Å
1183L94.6Very high89.4Confident23 Ų2367.7 Ų67.712%0.1233%0.333CS..EExtended strand (participates in β ladder)trans-104.6153.6-175.8-173.461.9000111.2P1185 F1194 A1195 I1196 W1197 V1219 I1222 N1223 L1226L1183-P1185 HydrophobicContact CD2-CG 4.22Å; L1183-P1185 HydrophobicContact CG-CG 4.22Å; L1183-F1194 HydrophobicContact CD1-CD2 3.81Å; L1183-F1194 HydrophobicContact CD1-CE2 4.39Å; L1183-A1195 CarbonylContact C-O 3.57Å; L1183-I1196 HydrophobicContact CD1-CG1 4.36Å; L1183-W1197 PolarHBondContact O-NE1 3.28Å; L1183-V1219 HydrophobicContact CD2-CG1 4.4Å; L1183-I1222 HydrophobicContact CD1-CG2 4.21Å; L1183-I1222 HydrophobicContact CD2-CB 4.31Å; L1183-I1222 HydrophobicContact CD2-CG2 4.13Å; L1183-N1223 HydrophobicContact CD2-CB 4.14Å; L1183-L1226 HydrophobicContact CB-CD1 4.12Å
1184T92.9Very high89.6Confident34 Ų3463.3 Ų63.321%0.20931%0.313CS..EExtended strand (participates in β ladder)trans-137.594.6165.7-69.80000107.7H1186 F1194 A1195 W1197T1184-H1186 VanDerWaalsContact C-N 3.27Å; T1184-H1186 PolarHBondContact O-N 2.82Å; T1184-F1194 WeakPolarHBondContact O-CA 3.37Å; T1184-A1195 PolarHBondContact N-O 3.48Å; T1184-A1195 PolarHBondContact O-N 2.97Å; T1184-W1197 PolarHBondContact OG1-NE1 3.49Å; T1184-W1197 VanDerWaalsContact OG1-NE1 3.14Å
1185P90.8Very high89.7Confident47 Ų4760.4 Ų60.431%0.30530%0.3SS..SBendtrans-57-32.7-170.1-33.339.4000115.6L1183 R1215 V1219L1183-P1185 HydrophobicContact CD2-CG 4.22Å; L1183-P1185 HydrophobicContact CG-CG 4.22Å; P1185-R1215 PolarHBondContact O-NH1 2.69Å; P1185-V1219 HydrophobicContact CB-CG1 3.74Å; P1185-V1219 HydrophobicContact CG-CG1 4.14Å
1186H87.8Confident89.8Confident130 Ų13058.6 Ų58.660%0.60229%0.291SS*.  trans-125.7123.7-176.4-59.798.6000109.4T1184 R1215T1184-H1186 VanDerWaalsContact C-N 3.27Å; T1184-H1186 PolarHBondContact O-N 2.82Å; H1186-R1215 PolarHBondContact CD2-NH1 2.82Å; H1186-R1215 PolarHBondContact NE2-NH1 2.9Å
1187F83.1Confident89.8Confident27 Ų2761.2 Ų61.212%0.11830%0.301CS..BIsolated β-bridgetrans-124.8119.3-175.8-167.1-96.8000111.7G1189 D1190 R1193 A1195 I1206F1187-G1189 PolarHBondContact O-N 3.41Å; F1187-D1190 PolarHBondContact O-N 3.14Å; F1187-R1193 HydrophobicContact CB-CB 4.06Å; F1187-R1193 PolarHBondContact N-O 3.11Å; F1187-A1195 HydrophobicContact CD2-CB 3.71Å; F1187-A1195 HydrophobicContact CE2-CB 4.12Å; F1187-A1195 HydrophobicContact CG-CB 4.31Å; F1187-I1206 HydrophobicContact CD1-CD1 4.2Å; F1187-I1206 HydrophobicContact CD1-CG1 4.05Å; F1187-I1206 HydrophobicContact CD1-CG2 3.79Å; F1187-I1206 HydrophobicContact CE1-CB 4.42Å; F1187-I1206 HydrophobicContact CE1-CD1 3.3Å; F1187-I1206 HydrophobicContact CE1-CG1 3.5Å; F1187-I1206 VanDerWaalsContact CE1-CG1 3.5Å; F1187-I1206 HydrophobicContact CE1-CG2 4.02Å; F1187-I1206 HydrophobicContact CE2-CG1 4.25Å; F1187-I1206 HydrophobicContact CG-CG2 4.43Å; F1187-I1206 HydrophobicContact CZ-CD1 3.57Å; F1187-I1206 HydrophobicContact CZ-CG1 3.61Å
1188H77.6Confident89.7Confident174 Ų17458.4 Ų58.481%0.80629%0.29SS*.THydrogen-bonded Turntrans45.130.1-176.6-70-54.9000116.3D1190H1188-D1190 VanDerWaalsContact C-N 3.29Å; H1188-D1190 PolarHBondContact O-N 3.44Å
1189G77.1Confident89.2Confident72 Ų7260.9 Ų60.974%0.74231%0.311SS*.THydrogen-bonded Turntrans80.3-7.1174.700000116.1F1187 R1191F1187-G1189 PolarHBondContact O-N 3.41Å; G1189-R1191 PolarHBondContact O-N 3.02Å
1190D86.3Confident88.7Confident51 Ų5167.7 Ų67.727%0.27333%0.334SS..BIsolated β-bridgetrans-74.9118.3174.9-177.5-4.7000110.3F1187 H1188 R1192 R1193F1187-D1190 PolarHBondContact O-N 3.14Å; H1188-D1190 VanDerWaalsContact C-N 3.29Å; H1188-D1190 PolarHBondContact O-N 3.44Å; D1190-R1192 PolarHBondContact O-N 2.92Å; D1190-R1192 VanDerWaalsContact O-N 3.13Å; D1190-R1192 WeakPolarHBondContact OD1-CB 3.47Å; D1190-R1192 PolarHBondContact OD1-N 3.17Å; D1190-R1193 HydrophobicContact CB-CB 4.08Å; D1190-R1193 HydrophobicContact CB-CG 3.87Å; D1190-R1193 PolarHBondContact O-N 3.2Å; D1190-R1193 WeakPolarHBondContact OD2-CD 3.46Å; D1190-R1193 WeakPolarHBondContact OD2-CG 3.45Å; D1190-R1193 IonicContact OD2-CZ 3.63Å; D1190-R1193 IonicContact OD2-NE 3.8Å; D1190-R1193 PolarHBondContact OD2-NE 3.46Å
1191R90.4Very high88.4Confident196 Ų19670.1 Ų70.174%0.7434%0.34SS*.THydrogen-bonded Turntrans-67.8-6.3178.6-64-171.7-179.7-162.80.5114G1189 P1212 R1215G1189-R1191 PolarHBondContact O-N 3.02Å; R1191-P1212 HydrophobicContact CB-CB 4.38Å; R1191-P1212 HydrophobicContact CB-CG 4.24Å; R1191-P1212 WeakPolarHBondContact O-CB 3.48Å; R1191-R1215 WeakPolarHBondContact O-CD 3.36Å
1192R92.5Very high88Confident117 Ų11771 Ų7144%0.44235%0.35SS..THydrogen-bonded Turntrans-97.2-4.1171.8-56.5-175.2-162.3-161.68.8113D1190 Q1208 S1209 S1210 P1212D1190-R1192 PolarHBondContact O-N 2.92Å; D1190-R1192 VanDerWaalsContact O-N 3.13Å; D1190-R1192 WeakPolarHBondContact OD1-CB 3.47Å; D1190-R1192 PolarHBondContact OD1-N 3.17Å; R1192-Q1208 HydrophobicContact CB-CG 4.25Å; R1192-Q1208 WeakPolarHBondContact O-CA 3.31Å; R1192-S1209 PolarHBondContact O-N 3.16Å; R1192-S1209 PolarHBondContact O-OG 2.94Å; R1192-S1210 PolarHBondContact NH1-O 3.14Å; R1192-P1212 HydrophobicContact CG-CG 3.83Å
1193R93.3Very high87.8Confident80 Ų8071.9 Ų71.930%0.30235%0.354SS..EExtended strand (participates in β ladder)trans-112.9133.2-174.6-65.6179.2-166.6-152.7-12.1113.4F1187 D1190 I1206 F1207 Q1208F1187-R1193 HydrophobicContact CB-CB 4.06Å; F1187-R1193 PolarHBondContact N-O 3.11Å; D1190-R1193 HydrophobicContact CB-CB 4.08Å; D1190-R1193 HydrophobicContact CB-CG 3.87Å; D1190-R1193 PolarHBondContact O-N 3.2Å; D1190-R1193 WeakPolarHBondContact OD2-CD 3.46Å; D1190-R1193 WeakPolarHBondContact OD2-CG 3.45Å; D1190-R1193 IonicContact OD2-CZ 3.63Å; D1190-R1193 IonicContact OD2-NE 3.8Å; D1190-R1193 PolarHBondContact OD2-NE 3.46Å; R1193-I1206 HydrophobicContact CB-CG2 4.39Å; R1193-I1206 HydrophobicContact CG-CG2 4.35Å; R1193-F1207 WeakPolarHBondContact CA-O 3.2Å; R1193-Q1208 HydrophobicContact CG-CB 3.97Å; R1193-Q1208 HydrophobicContact CG-CG 4.11Å
1194F95.1Very high87.6Confident0 Ų071.9 Ų71.90%036%0.355CS..EExtended strand (participates in β ladder)trans-131.7162.5162.868.9-73.5000108.4F1052 L1183 T1184 I1196 F1207 R1215 W1218 V1219 I1222F1052-F1194 HydrophobicContact CD1-CE1 4.31Å; F1052-F1194 AromaticContact CE1-CE1 3.8Å; F1052-F1194 HydrophobicContact CE1-CE1 3.8Å; F1052-F1194 HydrophobicContact CE1-CZ 4.3Å; F1052-F1194 HydrophobicContact CZ-CE1 4.5Å; L1183-F1194 HydrophobicContact CD1-CD2 3.81Å; L1183-F1194 HydrophobicContact CD1-CE2 4.39Å; T1184-F1194 WeakPolarHBondContact O-CA 3.37Å; F1194-I1196 HydrophobicContact CD2-CG1 4.18Å; F1194-I1196 HydrophobicContact CE2-CD1 3.97Å; F1194-I1196 HydrophobicContact CE2-CG1 3.89Å; F1194-F1207 HydrophobicContact CD1-CB 3.77Å; F1194-F1207 HydrophobicContact CD2-CB 4.46Å; F1194-F1207 HydrophobicContact CE1-CB 3.36Å; F1194-F1207 HydrophobicContact CE1-CG 4.14Å; F1194-F1207 HydrophobicContact CE2-CB 4.11Å; F1194-F1207 HydrophobicContact CE2-CD2 4.35Å; F1194-F1207 HydrophobicContact CE2-CG 4.16Å; F1194-F1207 HydrophobicContact CG-CB 4.33Å; F1194-F1207 HydrophobicContact CZ-CB 3.56Å; F1194-F1207 HydrophobicContact CZ-CD1 4.07Å; F1194-F1207 HydrophobicContact CZ-CD2 4.45Å; F1194-F1207 AromaticContact CZ-CG 3.81Å; F1194-F1207 HydrophobicContact CZ-CG 3.81Å; F1194-F1207 PolarHBondContact N-O 2.88Å; F1194-F1207 PolarHBondContact O-N 2.79Å; F1194-R1215 HydrophobicContact CB-CG 4.2Å; F1194-R1215 HydrophobicContact CD1-CG 3.64Å; F1194-R1215 HydrophobicContact CE1-CG 4.43Å; F1194-R1215 HydrophobicContact CG-CG 4.29Å; F1194-W1218 HydrophobicContact CE1-CB 4.43Å; F1194-W1218 HydrophobicContact CZ-CB 4.1Å; F1194-V1219 HydrophobicContact CB-CG2 3.63Å; F1194-V1219 HydrophobicContact CD1-CG2 4.25Å; F1194-V1219 HydrophobicContact CD2-CG2 4.01Å; F1194-V1219 HydrophobicContact CG-CG2 3.73Å; F1194-I1222 HydrophobicContact CE2-CD1 3.88Å
1195A93.8Very high87.6Confident1 Ų170.7 Ų70.71%0.00835%0.347CS..EExtended strand (participates in β ladder)trans-123143.6174.800000111.4L1183 T1184 F1187 T1204 Y1205L1183-A1195 CarbonylContact C-O 3.57Å; T1184-A1195 PolarHBondContact N-O 3.48Å; T1184-A1195 PolarHBondContact O-N 2.97Å; F1187-A1195 HydrophobicContact CD2-CB 3.71Å; F1187-A1195 HydrophobicContact CE2-CB 4.12Å; F1187-A1195 HydrophobicContact CG-CB 4.31Å; A1195-T1204 HydrophobicContact CB-CG2 4Å; A1195-Y1205 CarbonylContact C-O 3.51Å; A1195-Y1205 VanDerWaalsContact CA-O 3.22Å; A1195-Y1205 WeakPolarHBondContact CA-O 3.47Å
1196I94.8Very high87.7Confident0 Ų068.9 Ų68.90%033%0.334CS..EExtended strand (participates in β ladder)trans-115.7129.3169.3-52-176.1000107I1076 I1181 G1182 L1183 F1194 Y1205 F1207 I1222I1076-I1196 HydrophobicContact CD1-CD1 3.6Å; I1181-I1196 HydrophobicContact CB-CG2 3.72Å; I1181-I1196 HydrophobicContact CD1-CG2 3.79Å; I1181-I1196 HydrophobicContact CG1-CG2 4.26Å; I1181-I1196 HydrophobicContact CG2-CG2 3.85Å; G1182-I1196 WeakPolarHBondContact O-CA 3.48Å; L1183-I1196 HydrophobicContact CD1-CG1 4.36Å; F1194-I1196 HydrophobicContact CD2-CG1 4.18Å; F1194-I1196 HydrophobicContact CE2-CD1 3.97Å; F1194-I1196 HydrophobicContact CE2-CG1 3.89Å; I1196-Y1205 PolarHBondContact N-O 2.83Å; I1196-Y1205 PolarHBondContact O-N 2.98Å; I1196-F1207 HydrophobicContact CB-CD2 4.46Å; I1196-F1207 HydrophobicContact CB-CE2 3.9Å; I1196-F1207 HydrophobicContact CD1-CD2 4.16Å; I1196-F1207 HydrophobicContact CD1-CE1 4.49Å; I1196-F1207 HydrophobicContact CD1-CE2 3.58Å; I1196-F1207 HydrophobicContact CD1-CZ 3.77Å; I1196-F1207 HydrophobicContact CG1-CD2 3.97Å; I1196-F1207 HydrophobicContact CG1-CE2 3.66Å; I1196-F1207 HydrophobicContact CG1-CZ 4.37Å; I1196-I1222 HydrophobicContact CD1-CD1 3.8Å
1197W92.6Very high88Confident61 Ų6162.7 Ų62.723%0.23131%0.306CS..EExtended strand (participates in β ladder)trans-122.4139.1-17945.5-93.8000110.8I1181 G1182 L1183 T1184 R1201 V1203 T1204I1181-W1197 CarbonylContact C-O 3.54Å; I1181-W1197 VanDerWaalsContact CA-O 3.27Å; I1181-W1197 WeakPolarHBondContact CA-O 3.24Å; G1182-W1197 PolarHBondContact N-O 3.12Å; G1182-W1197 PolarHBondContact O-N 3.38Å; L1183-W1197 PolarHBondContact O-NE1 3.28Å; T1184-W1197 PolarHBondContact OG1-NE1 3.49Å; T1184-W1197 VanDerWaalsContact OG1-NE1 3.14Å; W1197-R1201 HydrophobicContact CB-CB 4.46Å; W1197-R1201 HydrophobicContact CB-CG 4.04Å; W1197-R1201 HydrophobicContact CD2-CG 3.62Å; W1197-R1201 HydrophobicContact CE3-CG 3.62Å; W1197-R1201 HydrophobicContact CG-CG 3.83Å; W1197-R1201 HydrophobicContact CZ3-CG 4.27Å; W1197-V1203 CarbonylContact C-O 3.6Å; W1197-V1203 WeakPolarHBondContact CA-O 2.99Å; W1197-T1204 HydrophobicContact CB-CG2 4.35Å
1198T89.2Confident88.5Confident30 Ų3064.1 Ų64.118%0.18431%0.313CS..EExtended strand (participates in β ladder)trans-74.6165.8174.2550000111.3L1176 K1180 K1200 R1201 V1203 Y1205L1176-T1198 HydrophobicContact CD2-CG2 3.98Å; K1180-T1198 CarbonylContact O-C 3.56Å; K1180-T1198 WeakPolarHBondContact O-CA 3.38Å; T1198-K1200 PolarHBondContact O-N 2.7Å; T1198-R1201 VanDerWaalsContact O-CA 3.22Å; T1198-R1201 WeakPolarHBondContact O-CA 3.3Å; T1198-R1201 PolarHBondContact O-N 3.22Å; T1198-V1203 PolarHBondContact N-O 3.42Å; T1198-V1203 PolarHBondContact OG1-N 2.88Å; T1198-V1203 PolarHBondContact OG1-O 3.05Å; T1198-Y1205 HydrophobicContact CG2-CE2 4.36Å
1199A80.4Confident89.3Confident57 Ų5756 Ų5647%0.47128%0.276SS..G310 helixtrans-41.2135-178.500000113.6K1180 R1201 A1202K1180-A1199 PolarHBondContact O-N 3.41Å; A1199-R1201 PolarHBondContact O-N 2.97Å; A1199-A1202 WeakPolarHBondContact O-CB 3.27Å; A1199-A1202 PolarHBondContact O-N 2.94Å
1200K77Confident89.9Confident199 Ų19956.5 Ų56.587%0.86527%0.268SS*.G310 helixtrans59.112.9-172.3-53.9-174.2-179.8-176.10116T1198 A1202T1198-K1200 PolarHBondContact O-N 2.7Å; K1200-A1202 VanDerWaalsContact C-N 3.27Å; K1200-A1202 PolarHBondContact O-N 3.38Å
1201R83.2Confident90.1Very high148 Ų14857.8 Ų57.856%0.55828%0.275SS*.G310 helixtrans64.321.8-173.2-63-173.7170.2-177.5-2.3115.3W1197 T1198 A1199 V1203W1197-R1201 HydrophobicContact CB-CB 4.46Å; W1197-R1201 HydrophobicContact CB-CG 4.04Å; W1197-R1201 HydrophobicContact CD2-CG 3.62Å; W1197-R1201 HydrophobicContact CE3-CG 3.62Å; W1197-R1201 HydrophobicContact CG-CG 3.83Å; W1197-R1201 HydrophobicContact CZ3-CG 4.27Å; T1198-R1201 VanDerWaalsContact O-CA 3.22Å; T1198-R1201 WeakPolarHBondContact O-CA 3.3Å; T1198-R1201 PolarHBondContact O-N 3.22Å; A1199-R1201 PolarHBondContact O-N 2.97Å; R1201-V1203 VanDerWaalsContact C-N 3.33Å; R1201-V1203 PolarHBondContact O-N 3.33Å
1202A83.3Confident90.2Very high36 Ų3650.3 Ų50.330%0.29825%0.251SS..SBendtrans-41.3-55.7174.600000113E568 A1199 K1200E568-A1202 HydrophobicContact CG-CB 4.32Å; E568-A1202 WeakPolarHBondContact OE1-CA 3.35Å; E568-A1202 WeakPolarHBondContact OE1-CB 3.35Å; A1199-A1202 WeakPolarHBondContact O-CB 3.27Å; A1199-A1202 PolarHBondContact O-N 2.94Å; K1200-A1202 VanDerWaalsContact C-N 3.27Å; K1200-A1202 PolarHBondContact O-N 3.38Å
1203V87.7Confident90.2Very high26 Ų2647.2 Ų47.216%0.15825%0.251CS..SBendtrans-124.7123.3172.6-172.70000109.9R1056 W1197 T1198 R1201 Y1205R1056-V1203 HydrophobicContact CG-CG1 4.23Å; W1197-V1203 CarbonylContact C-O 3.6Å; W1197-V1203 WeakPolarHBondContact CA-O 2.99Å; T1198-V1203 PolarHBondContact N-O 3.42Å; T1198-V1203 PolarHBondContact OG1-N 2.88Å; T1198-V1203 PolarHBondContact OG1-O 3.05Å; R1201-V1203 VanDerWaalsContact C-N 3.33Å; R1201-V1203 PolarHBondContact O-N 3.33Å; V1203-Y1205 HydrophobicContact CB-CE2 3.91Å; V1203-Y1205 HydrophobicContact CG1-CD2 3.96Å; V1203-Y1205 HydrophobicContact CG1-CE1 4.49Å; V1203-Y1205 HydrophobicContact CG1-CE2 3.39Å
1204T90.3Very high90.2Very high24 Ų2446.2 Ų46.215%0.14725%0.251CS..EExtended strand (participates in β ladder)trans-103.8124.7172.4-59.90000110.1R1056 D1057 A1195 W1197R1056-T1204 VanDerWaalsContact CA-O 3.25Å; R1056-T1204 WeakPolarHBondContact CA-O 3.3Å; D1057-T1204 PolarHBondContact N-O 3.42Å; D1057-T1204 WeakPolarHBondContact OD2-CG2 3.35Å; A1195-T1204 HydrophobicContact CB-CG2 4Å; W1197-T1204 HydrophobicContact CB-CG2 4.35Å
1205Y92.6Very high90.1Very high8 Ų847.2 Ų47.23%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-107121.7176.9-63.9-101.1000109.2I1054 S1055 R1056 L1078 Q1174 L1176 A1195 I1196 T1198 V1203I1054-Y1205 HydrophobicContact CG2-CD1 4.13Å; S1055-Y1205 WeakPolarHBondContact O-CA 3.09Å; R1056-Y1205 HydrophobicContact CG-CD1 3.94Å; R1056-Y1205 HydrophobicContact CG-CE1 4.1Å; R1056-Y1205 HydrophobicContact CG-CG 4.45Å; R1056-Y1205 PolarHBondContact NE-OH 3.31Å; R1056-Y1205 PolarHBondContact NH2-OH 3.36Å; L1078-Y1205 HydrophobicContact CD2-CD1 3.92Å; L1078-Y1205 HydrophobicContact CD2-CE1 4.06Å; Q1174-Y1205 HydrophobicContact CG-CE1 4.2Å; Q1174-Y1205 WeakPolarHBondContact CG-OH 3.47Å; Q1174-Y1205 PolarHBondContact OE1-OH 3.39Å; L1176-Y1205 HydrophobicContact CD1-CD2 4.28Å; L1176-Y1205 HydrophobicContact CD1-CE2 4.31Å; L1176-Y1205 HydrophobicContact CD2-CE2 3.8Å; A1195-Y1205 CarbonylContact C-O 3.51Å; A1195-Y1205 VanDerWaalsContact CA-O 3.22Å; A1195-Y1205 WeakPolarHBondContact CA-O 3.47Å; I1196-Y1205 PolarHBondContact N-O 2.83Å; I1196-Y1205 PolarHBondContact O-N 2.98Å; T1198-Y1205 HydrophobicContact CG2-CE2 4.36Å; V1203-Y1205 HydrophobicContact CB-CE2 3.91Å; V1203-Y1205 HydrophobicContact CG1-CD2 3.96Å; V1203-Y1205 HydrophobicContact CG1-CE1 4.49Å; V1203-Y1205 HydrophobicContact CG1-CE2 3.39Å
1206I92.9Very high90.1Very high9 Ų951 Ų515%0.04628%0.275CS..EExtended strand (participates in β ladder)trans-93.1124173.5-53.1157.9000107.9I1054 S1055 D1057 F1187 R1193I1054-I1206 VanDerWaalsContact CA-O 3.31Å; I1054-I1206 WeakPolarHBondContact CA-O 3.39Å; S1055-I1206 PolarHBondContact N-O 3.03Å; S1055-I1206 VanDerWaalsContact N-O 3.15Å; S1055-I1206 PolarHBondContact O-N 2.9Å; S1055-I1206 WeakPolarHBondContact OG-CD1 3.38Å; D1057-I1206 VanDerWaalsContact OD1-CD1 3.26Å; D1057-I1206 WeakPolarHBondContact OD1-CD1 3.47Å; F1187-I1206 HydrophobicContact CD1-CD1 4.2Å; F1187-I1206 HydrophobicContact CD1-CG1 4.05Å; F1187-I1206 HydrophobicContact CD1-CG2 3.79Å; F1187-I1206 HydrophobicContact CE1-CB 4.42Å; F1187-I1206 HydrophobicContact CE1-CD1 3.3Å; F1187-I1206 HydrophobicContact CE1-CG1 3.5Å; F1187-I1206 VanDerWaalsContact CE1-CG1 3.5Å; F1187-I1206 HydrophobicContact CE1-CG2 4.02Å; F1187-I1206 HydrophobicContact CE2-CG1 4.25Å; F1187-I1206 HydrophobicContact CG-CG2 4.43Å; F1187-I1206 HydrophobicContact CZ-CD1 3.57Å; F1187-I1206 HydrophobicContact CZ-CG1 3.61Å; R1193-I1206 HydrophobicContact CB-CG2 4.39Å; R1193-I1206 HydrophobicContact CG-CG2 4.35Å
1207F94.9Very high90.1Very high0 Ų054.6 Ų54.60%030%0.297CS..EExtended strand (participates in β ladder)trans-104.4115.2175.5-71.3-111.6000108.6F1052 I1054 V1069 L1078 R1193 F1194 I1196F1052-F1207 HydrophobicContact CB-CD1 4.09Å; F1052-F1207 HydrophobicContact CD1-CB 4.09Å; F1052-F1207 HydrophobicContact CD1-CD1 4.23Å; F1052-F1207 HydrophobicContact CD2-CD1 4.35Å; F1052-F1207 AromaticContact CG-CD1 3.96Å; F1052-F1207 HydrophobicContact CG-CD1 3.96Å; I1054-F1207 HydrophobicContact CD1-CD1 3.68Å; I1054-F1207 HydrophobicContact CD1-CE1 3.42Å; I1054-F1207 VanDerWaalsContact CD1-CE1 3.42Å; I1054-F1207 HydrophobicContact CD1-CG 4.39Å; I1054-F1207 HydrophobicContact CD1-CZ 3.93Å; I1054-F1207 HydrophobicContact CG1-CD1 4.02Å; I1054-F1207 HydrophobicContact CG1-CE1 4.25Å; I1054-F1207 HydrophobicContact CG1-CG 4.38Å; V1069-F1207 HydrophobicContact CG1-CE1 4.06Å; V1069-F1207 HydrophobicContact CG2-CD1 4.44Å; V1069-F1207 HydrophobicContact CG2-CE1 3.96Å; L1078-F1207 HydrophobicContact CD1-CZ 4.19Å; L1078-F1207 HydrophobicContact CD2-CZ 4.26Å; L1078-F1207 HydrophobicContact CG-CZ 4.32Å; R1193-F1207 WeakPolarHBondContact CA-O 3.2Å; F1194-F1207 HydrophobicContact CD1-CB 3.77Å; F1194-F1207 HydrophobicContact CD2-CB 4.46Å; F1194-F1207 HydrophobicContact CE1-CB 3.36Å; F1194-F1207 HydrophobicContact CE1-CG 4.14Å; F1194-F1207 HydrophobicContact CE2-CB 4.11Å; F1194-F1207 HydrophobicContact CE2-CD2 4.35Å; F1194-F1207 HydrophobicContact CE2-CG 4.16Å; F1194-F1207 HydrophobicContact CG-CB 4.33Å; F1194-F1207 HydrophobicContact CZ-CB 3.56Å; F1194-F1207 HydrophobicContact CZ-CD1 4.07Å; F1194-F1207 HydrophobicContact CZ-CD2 4.45Å; F1194-F1207 AromaticContact CZ-CG 3.81Å; F1194-F1207 HydrophobicContact CZ-CG 3.81Å; F1194-F1207 PolarHBondContact N-O 2.88Å; F1194-F1207 PolarHBondContact O-N 2.79Å; I1196-F1207 HydrophobicContact CB-CD2 4.46Å; I1196-F1207 HydrophobicContact CB-CE2 3.9Å; I1196-F1207 HydrophobicContact CD1-CD2 4.16Å; I1196-F1207 HydrophobicContact CD1-CE1 4.49Å; I1196-F1207 HydrophobicContact CD1-CE2 3.58Å; I1196-F1207 HydrophobicContact CD1-CZ 3.77Å; I1196-F1207 HydrophobicContact CG1-CD2 3.97Å; I1196-F1207 HydrophobicContact CG1-CE2 3.66Å; I1196-F1207 HydrophobicContact CG1-CZ 4.37Å
1208Q93.9Very high90.3Very high57 Ų5752 Ų5227%0.26629%0.287SS..EExtended strand (participates in β ladder)trans-103121.5169.6-178.6-179.5-26.500109.9T1053 R1192 R1193T1053-Q1208 PolarHBondContact N-O 2.84Å; T1053-Q1208 PolarHBondContact O-N 3.39Å; R1192-Q1208 HydrophobicContact CB-CG 4.25Å; R1192-Q1208 WeakPolarHBondContact O-CA 3.31Å; R1193-Q1208 HydrophobicContact CG-CB 3.97Å; R1193-Q1208 HydrophobicContact CG-CG 4.11Å
1209S93.2Very high90.6Very high5 Ų551.4 Ų51.44%0.03528%0.283CS..  trans-84.7165.6172.764.90000112.4R1192 D1211R1192-S1209 PolarHBondContact O-N 3.16Å; R1192-S1209 PolarHBondContact O-OG 2.94Å; S1209-D1211 WeakPolarHBondContact CB-O 3.45Å; S1209-D1211 PolarHBondContact OG-O 3.46Å
1210S90.4Very high91.3Very high81 Ų8155.1 Ų55.157%0.56629%0.289SS*.SBendtrans-69.1-38166.350.90000112.2R1192 I1214R1192-S1210 PolarHBondContact NH1-O 3.14Å; S1210-I1214 WeakPolarHBondContact OG-CD1 3.06Å
1211D90.1Very high92.2Very high78 Ų7846.8 Ų46.842%0.41726%0.257SS..SBendtrans-129.5134.6-174.1-177.2-17.5000110.5S1209 A1213 I1214 R1215S1209-D1211 WeakPolarHBondContact CB-O 3.45Å; S1209-D1211 PolarHBondContact OG-O 3.46Å; D1211-A1213 PolarHBondContact O-N 3.09Å; D1211-A1213 WeakPolarHBondContact OD1-CB 3.1Å; D1211-A1213 PolarHBondContact OD1-N 3.48Å; D1211-I1214 HydrophobicContact CB-CD1 4.05Å; D1211-I1214 HydrophobicContact CB-CG1 4.18Å; D1211-I1214 WeakPolarHBondContact O-CB 3.19Å; D1211-I1214 PolarHBondContact O-N 2.77Å; D1211-I1214 VanDerWaalsContact O-N 3.13Å; D1211-R1215 PolarHBondContact O-N 2.67Å
1212P92.1Very high92.8Very high39 Ų3939.7 Ų39.725%0.25323%0.23SC..Hα-helixtrans-48.8-37.6168.6-28.536.7000114.6R1191 R1192 I1214 R1215 D1216R1191-P1212 HydrophobicContact CB-CB 4.38Å; R1191-P1212 HydrophobicContact CB-CG 4.24Å; R1191-P1212 WeakPolarHBondContact O-CB 3.48Å; R1192-P1212 HydrophobicContact CG-CG 3.83Å; P1212-I1214 PolarHBondContact O-N 2.96Å; P1212-R1215 CarbonylContact O-C 3.46Å; P1212-R1215 WeakPolarHBondContact O-CA 3.42Å; P1212-R1215 VanDerWaalsContact O-CB 3.29Å; P1212-R1215 WeakPolarHBondContact O-CB 3.41Å; P1212-R1215 PolarHBondContact O-N 2.59Å; P1212-D1216 PolarHBondContact O-N 3.1Å
1213A93.3Very high93.3Very high52 Ų5241.3 Ų41.343%0.4323%0.234SC..Hα-helixtrans-60.9-31.8179.800000113.1D1211 T1217D1211-A1213 PolarHBondContact O-N 3.09Å; D1211-A1213 WeakPolarHBondContact OD1-CB 3.1Å; D1211-A1213 PolarHBondContact OD1-N 3.48Å; A1213-T1217 WeakPolarHBondContact O-CB 3.34Å; A1213-T1217 PolarHBondContact O-N 3.18Å; A1213-T1217 VanDerWaalsContact O-N 3.09Å; A1213-T1217 PolarHBondContact O-OG1 3.16Å
1214I92.9Very high93.6Very high60 Ų6044.7 Ų44.731%0.30825%0.248SC..Hα-helixtrans-70.1-43.1173.1-61.7170.6000110F1052 S1210 D1211 P1212 D1216 T1217 W1218F1052-I1214 HydrophobicContact CE1-CG2 4.19Å; F1052-I1214 HydrophobicContact CZ-CG2 3.91Å; S1210-I1214 WeakPolarHBondContact OG-CD1 3.06Å; D1211-I1214 HydrophobicContact CB-CD1 4.05Å; D1211-I1214 HydrophobicContact CB-CG1 4.18Å; D1211-I1214 WeakPolarHBondContact O-CB 3.19Å; D1211-I1214 PolarHBondContact O-N 2.77Å; D1211-I1214 VanDerWaalsContact O-N 3.13Å; P1212-I1214 PolarHBondContact O-N 2.96Å; I1214-D1216 VanDerWaalsContact C-N 3.34Å; I1214-D1216 PolarHBondContact O-N 3.25Å; I1214-T1217 PolarHBondContact O-N 2.89Å; I1214-W1218 VanDerWaalsContact O-CD1 3.28Å; I1214-W1218 PolarHBondContact O-N 2.79Å
1215R93.6Very high93.7Very high21 Ų2144.8 Ų44.88%0.07925%0.247CC..Hα-helixtrans-57-48.9174.3-173.4-134.659.6145.5-15.2110.5P1185 H1186 R1191 F1194 D1211 P1212 T1217 W1218 V1219P1185-R1215 PolarHBondContact O-NH1 2.69Å; H1186-R1215 PolarHBondContact CD2-NH1 2.82Å; H1186-R1215 PolarHBondContact NE2-NH1 2.9Å; R1191-R1215 WeakPolarHBondContact O-CD 3.36Å; F1194-R1215 HydrophobicContact CB-CG 4.2Å; F1194-R1215 HydrophobicContact CD1-CG 3.64Å; F1194-R1215 HydrophobicContact CE1-CG 4.43Å; F1194-R1215 HydrophobicContact CG-CG 4.29Å; D1211-R1215 PolarHBondContact O-N 2.67Å; P1212-R1215 CarbonylContact O-C 3.46Å; P1212-R1215 WeakPolarHBondContact O-CA 3.42Å; P1212-R1215 VanDerWaalsContact O-CB 3.29Å; P1212-R1215 WeakPolarHBondContact O-CB 3.41Å; P1212-R1215 PolarHBondContact O-N 2.59Å; R1215-T1217 VanDerWaalsContact C-N 3.34Å; R1215-T1217 PolarHBondContact O-N 2.85Å; R1215-W1218 PolarHBondContact O-N 3.05Å; R1215-V1219 HydrophobicContact CG-CG2 4.07Å; R1215-V1219 VanDerWaalsContact O-CB 3.26Å; R1215-V1219 WeakPolarHBondContact O-CB 3.43Å; R1215-V1219 VanDerWaalsContact O-CG2 3.26Å; R1215-V1219 WeakPolarHBondContact O-CG2 2.94Å; R1215-V1219 PolarHBondContact O-N 2.64Å
1216D94.2Very high93.7Very high79 Ų7945.9 Ų45.942%0.42225%0.254SS..Hα-helixtrans-61-43.4-177.6-69.121.3000111.5P1212 I1214 K1220P1212-D1216 PolarHBondContact O-N 3.1Å; I1214-D1216 VanDerWaalsContact C-N 3.34Å; I1214-D1216 PolarHBondContact O-N 3.25Å; D1216-K1220 WeakPolarHBondContact O-CB 3.41Å; D1216-K1220 PolarHBondContact O-N 3.39Å
1217T95.4Very high93.6Very high76 Ų7649.3 Ų49.347%0.46627%0.27SS..Hα-helixtrans-62.5-46.8176.6-56.70000111.8L1048 A1213 I1214 R1215 K1220 A1221L1048-T1217 HydrophobicContact CD1-CG2 4.13Å; L1048-T1217 HydrophobicContact CD2-CG2 4.38Å; A1213-T1217 WeakPolarHBondContact O-CB 3.34Å; A1213-T1217 PolarHBondContact O-N 3.18Å; A1213-T1217 VanDerWaalsContact O-N 3.09Å; A1213-T1217 PolarHBondContact O-OG1 3.16Å; I1214-T1217 PolarHBondContact O-N 2.89Å; R1215-T1217 VanDerWaalsContact C-N 3.34Å; R1215-T1217 PolarHBondContact O-N 2.85Å; T1217-K1220 PolarHBondContact O-N 3.34Å; T1217-A1221 WeakPolarHBondContact O-CB 3.31Å; T1217-A1221 PolarHBondContact O-N 3.1Å
1218W96.2Very high93.2Very high6 Ų653 Ų532%0.02329%0.293CS..Hα-helixtrans-69.9-43.6179.9-85.569.9000113L1048 F1052 V1069 L1071 F1194 I1214 R1215 K1220 A1221 I1222L1048-W1218 HydrophobicContact CB-CH2 4.39Å; L1048-W1218 HydrophobicContact CB-CZ2 3.75Å; L1048-W1218 HydrophobicContact CD1-CD2 4.31Å; L1048-W1218 HydrophobicContact CD1-CG 4.18Å; F1052-W1218 AromaticContact CE2-CD2 3.9Å; F1052-W1218 HydrophobicContact CE2-CD2 3.9Å; F1052-W1218 AromaticContact CE2-CE2 3.65Å; F1052-W1218 HydrophobicContact CE2-CE3 4.23Å; F1052-W1218 HydrophobicContact CE2-CG 4.46Å; F1052-W1218 HydrophobicContact CE2-CH2 4.16Å; F1052-W1218 AromaticContact CE2-CZ2 3.81Å; F1052-W1218 HydrophobicContact CE2-CZ2 3.81Å; F1052-W1218 HydrophobicContact CE2-CZ3 4.35Å; F1052-W1218 AromaticContact CZ-CD1 3.81Å; F1052-W1218 AromaticContact CZ-CD2 3.62Å; F1052-W1218 HydrophobicContact CZ-CD2 3.62Å; F1052-W1218 AromaticContact CZ-CE2 3.68Å; F1052-W1218 HydrophobicContact CZ-CE3 4.2Å; F1052-W1218 AromaticContact CZ-CG 3.74Å; F1052-W1218 HydrophobicContact CZ-CG 3.74Å; F1052-W1218 HydrophobicContact CZ-CZ2 4.32Å; F1052-W1218 AromaticContact CZ-NE1 3.75Å; V1069-W1218 HydrophobicContact CB-CH2 3.91Å; V1069-W1218 HydrophobicContact CB-CZ3 4.3Å; V1069-W1218 HydrophobicContact CG1-CH2 3.66Å; V1069-W1218 HydrophobicContact CG1-CZ3 3.67Å; V1069-W1218 WeakPolarHBondContact O-CH2 3.39Å; L1071-W1218 HydrophobicContact CB-CH2 3.81Å; L1071-W1218 HydrophobicContact CB-CZ3 3.79Å; F1194-W1218 HydrophobicContact CE1-CB 4.43Å; F1194-W1218 HydrophobicContact CZ-CB 4.1Å; I1214-W1218 VanDerWaalsContact O-CD1 3.28Å; I1214-W1218 PolarHBondContact O-N 2.79Å; R1215-W1218 PolarHBondContact O-N 3.05Å; W1218-K1220 VanDerWaalsContact C-N 3.3Å; W1218-K1220 PolarHBondContact O-N 3.13Å; W1218-A1221 PolarHBondContact O-N 3.32Å; W1218-I1222 HydrophobicContact CE3-CD1 4.29Å; W1218-I1222 WeakPolarHBondContact O-CG1 3.24Å; W1218-I1222 PolarHBondContact O-N 2.99Å
1219V95.3Very high92.7Very high18 Ų1852.3 Ų52.311%0.10929%0.29CS..Hα-helixtrans-59-43.1174.51630000110.5L1183 P1185 F1194 R1215 N1223L1183-V1219 HydrophobicContact CD2-CG1 4.4Å; P1185-V1219 HydrophobicContact CB-CG1 3.74Å; P1185-V1219 HydrophobicContact CG-CG1 4.14Å; F1194-V1219 HydrophobicContact CB-CG2 3.63Å; F1194-V1219 HydrophobicContact CD1-CG2 4.25Å; F1194-V1219 HydrophobicContact CD2-CG2 4.01Å; F1194-V1219 HydrophobicContact CG-CG2 3.73Å; R1215-V1219 HydrophobicContact CG-CG2 4.07Å; R1215-V1219 VanDerWaalsContact O-CB 3.26Å; R1215-V1219 WeakPolarHBondContact O-CB 3.43Å; R1215-V1219 VanDerWaalsContact O-CG2 3.26Å; R1215-V1219 WeakPolarHBondContact O-CG2 2.94Å; R1215-V1219 PolarHBondContact O-N 2.64Å; V1219-N1223 VanDerWaalsContact O-CB 3.23Å; V1219-N1223 WeakPolarHBondContact O-CB 3.34Å; V1219-N1223 PolarHBondContact O-N 3.33Å; V1219-N1223 VanDerWaalsContact O-N 3.08Å
1220K95.5Very high92.4Very high136 Ų13657.2 Ų57.259%0.59132%0.315SS*.Hα-helixtrans-61.5-55.1174.1-175.3178.4177.9-177.20110.8D1216 T1217 W1218 I1222 N1223 E1224D1216-K1220 WeakPolarHBondContact O-CB 3.41Å; D1216-K1220 PolarHBondContact O-N 3.39Å; T1217-K1220 PolarHBondContact O-N 3.34Å; W1218-K1220 VanDerWaalsContact C-N 3.3Å; W1218-K1220 PolarHBondContact O-N 3.13Å; K1220-I1222 PolarHBondContact O-N 3.33Å; K1220-N1223 PolarHBondContact O-N 3.35Å; K1220-N1223 VanDerWaalsContact O-N 3.07Å; K1220-E1224 VanDerWaalsContact CE-OE1 3.25Å; K1220-E1224 WeakPolarHBondContact CE-OE1 3.33Å; K1220-E1224 HydrophobicContact CG-CG 4.15Å; K1220-E1224 WeakPolarHBondContact O-CG 3.37Å; K1220-E1224 PolarHBondContact O-N 2.96Å
1221A95Very high92.1Very high23 Ų2358 Ų5819%0.1931%0.312CS..Hα-helixtrans-56.9-45.7-176.100000112.9L1048 L1071 T1217 W1218 N1223 E1224 L1225L1048-A1221 HydrophobicContact CD1-CB 3.64Å; L1071-A1221 HydrophobicContact CD2-CB 3.82Å; T1217-A1221 WeakPolarHBondContact O-CB 3.31Å; T1217-A1221 PolarHBondContact O-N 3.1Å; W1218-A1221 PolarHBondContact O-N 3.32Å; A1221-N1223 VanDerWaalsContact C-N 3.35Å; A1221-N1223 PolarHBondContact O-N 3.27Å; A1221-E1224 PolarHBondContact O-N 3.16Å; A1221-L1225 WeakPolarHBondContact O-CG 3.43Å; A1221-L1225 PolarHBondContact O-N 2.88Å; A1221-L1225 VanDerWaalsContact O-N 3.11Å
1222I95.5Very high91.7Very high0 Ų060.8 Ų60.80%032%0.317CS..Hα-helixtrans-64.9-39.6177-63.5164.2000110.9L1071 I1076 I1181 L1183 F1194 I1196 W1218 K1220 L1225 L1226L1071-I1222 HydrophobicContact CD1-CG1 4.18Å; L1071-I1222 HydrophobicContact CD2-CG1 4.17Å; I1076-I1222 HydrophobicContact CD1-CD1 4.08Å; I1076-I1222 HydrophobicContact CD1-CG1 4.27Å; I1181-I1222 HydrophobicContact CD1-CG2 4.39Å; L1183-I1222 HydrophobicContact CD1-CG2 4.21Å; L1183-I1222 HydrophobicContact CD2-CB 4.31Å; L1183-I1222 HydrophobicContact CD2-CG2 4.13Å; F1194-I1222 HydrophobicContact CE2-CD1 3.88Å; I1196-I1222 HydrophobicContact CD1-CD1 3.8Å; W1218-I1222 HydrophobicContact CE3-CD1 4.29Å; W1218-I1222 WeakPolarHBondContact O-CG1 3.24Å; W1218-I1222 PolarHBondContact O-N 2.99Å; K1220-I1222 PolarHBondContact O-N 3.33Å; I1222-L1225 PolarHBondContact O-N 3.18Å; I1222-L1226 HydrophobicContact CG2-CD1 3.95Å; I1222-L1226 HydrophobicContact CG2-CG 4.39Å; I1222-L1226 WeakPolarHBondContact O-CG 3.3Å; I1222-L1226 PolarHBondContact O-N 3.07Å
1223N94.5Very high91.1Very high69 Ų6961.5 Ų61.537%0.36932%0.318SS..Hα-helixtrans-66-43.2178.2-168.885000112.3L1183 V1219 K1220 A1221 L1225 L1226 M1227L1183-N1223 HydrophobicContact CD2-CB 4.14Å; V1219-N1223 VanDerWaalsContact O-CB 3.23Å; V1219-N1223 WeakPolarHBondContact O-CB 3.34Å; V1219-N1223 PolarHBondContact O-N 3.33Å; V1219-N1223 VanDerWaalsContact O-N 3.08Å; K1220-N1223 PolarHBondContact O-N 3.35Å; K1220-N1223 VanDerWaalsContact O-N 3.07Å; A1221-N1223 VanDerWaalsContact C-N 3.35Å; A1221-N1223 PolarHBondContact O-N 3.27Å; N1223-L1225 VanDerWaalsContact C-N 3.34Å; N1223-L1225 PolarHBondContact O-N 2.99Å; N1223-L1226 PolarHBondContact O-N 3.38Å; N1223-M1227 WeakPolarHBondContact O-CG 3.15Å; N1223-M1227 PolarHBondContact O-N 3.25Å
1224E93.5Very high90.5Very high98 Ų9867 Ų6746%0.45833%0.328SS..Hα-helixtrans-59.4-43.6174.8-60.8-70.2-177.600111.1K1220 A1221 M1227 V1228K1220-E1224 VanDerWaalsContact CE-OE1 3.25Å; K1220-E1224 WeakPolarHBondContact CE-OE1 3.33Å; K1220-E1224 HydrophobicContact CG-CG 4.15Å; K1220-E1224 WeakPolarHBondContact O-CG 3.37Å; K1220-E1224 PolarHBondContact O-N 2.96Å; A1221-E1224 PolarHBondContact O-N 3.16Å; E1224-M1227 PolarHBondContact O-N 2.92Å; E1224-V1228 WeakPolarHBondContact O-CG2 3.16Å; E1224-V1228 PolarHBondContact O-N 3.46Å
1225L92.8Very high89.7Confident26 Ų2671 Ų7114%0.13634%0.341CS..Hα-helixtrans-62.5-44.2176.6-69.4171.1000112.6L1047 L1071 T1073 L1178 A1221 I1222 N1223 M1227 V1228 Q1229L1047-L1225 HydrophobicContact CD1-CD1 3.63Å; L1047-L1225 HydrophobicContact CD1-CD2 3.84Å; L1047-L1225 HydrophobicContact CD1-CG 4.17Å; L1071-L1225 HydrophobicContact CD1-CD1 3.91Å; L1071-L1225 HydrophobicContact CD2-CD1 4.33Å; L1071-L1225 HydrophobicContact CG-CD1 4.28Å; T1073-L1225 HydrophobicContact CG2-CD2 4.27Å; L1178-L1225 HydrophobicContact CD1-CB 4.3Å; L1178-L1225 HydrophobicContact CD1-CD1 4.01Å; L1178-L1225 HydrophobicContact CD2-CB 3.73Å; A1221-L1225 WeakPolarHBondContact O-CG 3.43Å; A1221-L1225 PolarHBondContact O-N 2.88Å; A1221-L1225 VanDerWaalsContact O-N 3.11Å; I1222-L1225 PolarHBondContact O-N 3.18Å; N1223-L1225 VanDerWaalsContact C-N 3.34Å; N1223-L1225 PolarHBondContact O-N 2.99Å; L1225-M1227 VanDerWaalsContact C-N 3.3Å; L1225-M1227 PolarHBondContact O-N 2.71Å; L1225-V1228 PolarHBondContact O-N 3.16Å; L1225-Q1229 PolarHBondContact O-N 2.69Å
1226L91.7Very high88.8Confident31 Ų3175.5 Ų75.516%0.16236%0.361CS..Hα-helixtrans-64.9-33.5176.3-69.8172000111.8L1178 I1181 L1183 I1222 N1223 L1230L1178-L1226 HydrophobicContact CD2-CD2 4.13Å; L1178-L1226 HydrophobicContact CG-CD2 4.2Å; I1181-L1226 HydrophobicContact CG1-CD2 4.42Å; L1183-L1226 HydrophobicContact CB-CD1 4.12Å; I1222-L1226 HydrophobicContact CG2-CD1 3.95Å; I1222-L1226 HydrophobicContact CG2-CG 4.39Å; I1222-L1226 WeakPolarHBondContact O-CG 3.3Å; I1222-L1226 PolarHBondContact O-N 3.07Å; N1223-L1226 PolarHBondContact O-N 3.38Å; L1226-L1230 VanDerWaalsContact O-CB 3.27Å; L1226-L1230 WeakPolarHBondContact O-CB 3.45Å; L1226-L1230 PolarHBondContact O-N 3.5Å
1227M90.7Very high87.8Confident80 Ų8076.5 Ų76.539%0.39437%0.369SS..Hα-helixtrans-69.3-42.5171.7-67.3-56.796.500112.1N1223 E1224 L1225 Q1229 L1230 L1231N1223-M1227 WeakPolarHBondContact O-CG 3.15Å; N1223-M1227 PolarHBondContact O-N 3.25Å; E1224-M1227 PolarHBondContact O-N 2.92Å; L1225-M1227 VanDerWaalsContact C-N 3.3Å; L1225-M1227 PolarHBondContact O-N 2.71Å; M1227-Q1229 VanDerWaalsContact C-N 3.31Å; M1227-Q1229 PolarHBondContact O-N 3.43Å; M1227-L1230 HydrophobicContact CE-CD2 4.17Å; M1227-L1230 PolarHBondContact O-N 2.85Å; M1227-L1230 HydrophobicContact SD-CD2 4.39Å; M1227-L1231 WeakPolarHBondContact O-CB 3.35Å; M1227-L1231 VanDerWaalsContact O-CG 3.31Å; M1227-L1231 WeakPolarHBondContact O-CG 3.37Å; M1227-L1231 PolarHBondContact O-N 3.47Å
1228V87.5Confident86.5Confident77 Ų7776.3 Ų76.347%0.46737%0.365SS..Hα-helixtrans-62-39.6174.9168.20000111.2E1224 L1225 R1232E1224-V1228 WeakPolarHBondContact O-CG2 3.16Å; E1224-V1228 PolarHBondContact O-N 3.46Å; L1225-V1228 PolarHBondContact O-N 3.16Å; V1228-R1232 WeakPolarHBondContact O-CB 3.38Å; V1228-R1232 PolarHBondContact O-N 3.44Å
1229Q83.3Confident84.6Confident44 Ų4479.8 Ų79.821%0.20638%0.384CS..Hα-helixtrans-67.5-46.5174.8-162-157.3-47.400111.5L1225 M1227 L1231 R1232 D1233L1225-Q1229 PolarHBondContact O-N 2.69Å; M1227-Q1229 VanDerWaalsContact C-N 3.31Å; M1227-Q1229 PolarHBondContact O-N 3.43Å; Q1229-L1231 VanDerWaalsContact C-N 3.28Å; Q1229-L1231 PolarHBondContact O-N 3.24Å; Q1229-R1232 WeakPolarHBondContact O-CB 3.34Å; Q1229-R1232 PolarHBondContact O-N 3.04Å; Q1229-R1232 VanDerWaalsContact O-N 3.1Å; Q1229-D1233 WeakPolarHBondContact CG-OD2 3.49Å; Q1229-D1233 PolarHBondContact NE2-OD2 3.13Å; Q1229-D1233 PolarHBondContact O-N 3.17Å
1230L86.9Confident82.4Confident108 Ų10884.5 Ų84.557%0.56541%0.409SS*.Hα-helixtrans-57.4-40.5176.3178.662.8000112.1L1226 M1227 R1234L1226-L1230 VanDerWaalsContact O-CB 3.27Å; L1226-L1230 WeakPolarHBondContact O-CB 3.45Å; L1226-L1230 PolarHBondContact O-N 3.5Å; M1227-L1230 HydrophobicContact CE-CD2 4.17Å; M1227-L1230 PolarHBondContact O-N 2.85Å; M1227-L1230 HydrophobicContact SD-CD2 4.39Å; L1230-R1234 WeakPolarHBondContact O-CB 3.4Å; L1230-R1234 PolarHBondContact O-N 3.25Å
1231L85.2Confident80Confident97 Ų9782.8 Ų82.851%0.50841%0.409SS..Hα-helixtrans-66.2-46173.4-71.9171.5000111.7M1227 Q1229 D1233 R1234 Y1235M1227-L1231 WeakPolarHBondContact O-CB 3.35Å; M1227-L1231 VanDerWaalsContact O-CG 3.31Å; M1227-L1231 WeakPolarHBondContact O-CG 3.37Å; M1227-L1231 PolarHBondContact O-N 3.47Å; Q1229-L1231 VanDerWaalsContact C-N 3.28Å; Q1229-L1231 PolarHBondContact O-N 3.24Å; L1231-D1233 PolarHBondContact O-N 3.16Å; L1231-R1234 PolarHBondContact O-N 3.41Å; L1231-Y1235 VanDerWaalsContact O-CD2 3.27Å; L1231-Y1235 WeakPolarHBondContact O-CD2 3.32Å; L1231-Y1235 PolarHBondContact O-N 3.3Å
1232R80.6Confident77.4Confident136 Ų13686.7 Ų86.751%0.51343%0.427SS..Hα-helixtrans-57.8-46.4177-178.5-172.4-65.6171.3-0.8111.7V1228 Q1229 Y1235 K1236V1228-R1232 WeakPolarHBondContact O-CB 3.38Å; V1228-R1232 PolarHBondContact O-N 3.44Å; Q1229-R1232 WeakPolarHBondContact O-CB 3.34Å; Q1229-R1232 PolarHBondContact O-N 3.04Å; Q1229-R1232 VanDerWaalsContact O-N 3.1Å; R1232-Y1235 PolarHBondContact O-N 3.01Å; R1232-K1236 WeakPolarHBondContact O-CG 3.47Å; R1232-K1236 PolarHBondContact O-N 3.21Å; R1232-K1236 VanDerWaalsContact O-N 3.09Å
1233D79.5Confident74.7Confident54 Ų5490.9 Ų90.929%0.28945%0.449SS..Hα-helixtrans-73.5-34.1-178.1-66.1-26.8000111.3Q1229 L1231 K1236 V1237Q1229-D1233 WeakPolarHBondContact CG-OD2 3.49Å; Q1229-D1233 PolarHBondContact NE2-OD2 3.13Å; Q1229-D1233 PolarHBondContact O-N 3.17Å; L1231-D1233 PolarHBondContact O-N 3.16Å; D1233-K1236 PolarHBondContact O-N 2.84Å; D1233-K1236 WeakPolarHBondContact OD1-CE 3.02Å; D1233-K1236 IonicContact OD1-NZ 2.7Å; D1233-K1236 PolarHBondContact OD1-NZ 3.04Å; D1233-V1237 WeakPolarHBondContact O-CG2 3.19Å; D1233-V1237 PolarHBondContact O-N 3.44Å
1234R81.1Confident71.8Confident167 Ų16796.4 Ų96.463%0.6347%0.472SS*.Hα-helixtrans-61.7-41.1167.3-179.7175.9177.9156.12112.6L1230 L1231 V1237 L1238L1230-R1234 WeakPolarHBondContact O-CB 3.4Å; L1230-R1234 PolarHBondContact O-N 3.25Å; L1231-R1234 PolarHBondContact O-N 3.41Å; R1234-V1237 PolarHBondContact O-N 3.06Å; R1234-L1238 HydrophobicContact CG-CD1 3.96Å; R1234-L1238 HydrophobicContact CG-CG 4.42Å; R1234-L1238 WeakPolarHBondContact O-CG 3.34Å; R1234-L1238 PolarHBondContact O-N 2.94Å
1235Y75.3Confident69Low146 Ų14696.9 Ų96.957%0.57349%0.486SS*.Hα-helixtrans-65.6-35.7176.7-91.9-68.1000112.7L1231 R1232 L1238 N1239L1231-Y1235 VanDerWaalsContact O-CD2 3.27Å; L1231-Y1235 WeakPolarHBondContact O-CD2 3.32Å; L1231-Y1235 PolarHBondContact O-N 3.3Å; R1232-Y1235 PolarHBondContact O-N 3.01Å; Y1235-L1238 PolarHBondContact O-N 3.18Å; Y1235-N1239 VanDerWaalsContact O-CB 3.3Å; Y1235-N1239 WeakPolarHBondContact O-CB 3.41Å; Y1235-N1239 VanDerWaalsContact O-CG 3.24Å; Y1235-N1239 PolarHBondContact O-N 3.03Å; Y1235-N1239 PolarHBondContact O-OD1 2.81Å
1236K74.3Confident66.1Low115 Ų11599.1 Ų99.150%0.551%0.509SS..Hα-helixtrans-59.6-46.9171.6-66.6170.2-172.6164.10111.4R1232 D1233 N1240R1232-K1236 WeakPolarHBondContact O-CG 3.47Å; R1232-K1236 PolarHBondContact O-N 3.21Å; R1232-K1236 VanDerWaalsContact O-N 3.09Å; D1233-K1236 PolarHBondContact O-N 2.84Å; D1233-K1236 WeakPolarHBondContact OD1-CE 3.02Å; D1233-K1236 IonicContact OD1-NZ 2.7Å; D1233-K1236 PolarHBondContact OD1-NZ 3.04Å; K1236-N1240 WeakPolarHBondContact O-CB 3.25Å; K1236-N1240 VanDerWaalsContact O-CG 3.29Å; K1236-N1240 PolarHBondContact O-N 2.76Å; K1236-N1240 PolarHBondContact O-OD1 3.1Å
1237V74.8Confident63.1Low100 Ų100106.6 Ų106.661%0.60654%0.54SS*.Hα-helixtrans-62.5-45.9179.2174.80000111.3D1233 R1234 N1240 T1241D1233-V1237 WeakPolarHBondContact O-CG2 3.19Å; D1233-V1237 PolarHBondContact O-N 3.44Å; R1234-V1237 PolarHBondContact O-N 3.06Å; V1237-N1240 PolarHBondContact O-N 3.5Å; V1237-T1241 PolarHBondContact O-N 2.78Å; V1237-T1241 PolarHBondContact O-OG1 2.76Å
1238L68.3Low60.1Low72 Ų72109.9 Ų109.938%0.37756%0.558SS.*Hα-helixtrans-65.9-44.4178.8-70.1170.5000112.8R1234 Y1235 N1240 T1241 D1242R1234-L1238 HydrophobicContact CG-CD1 3.96Å; R1234-L1238 HydrophobicContact CG-CG 4.42Å; R1234-L1238 WeakPolarHBondContact O-CG 3.34Å; R1234-L1238 PolarHBondContact O-N 2.94Å; Y1235-L1238 PolarHBondContact O-N 3.18Å; L1238-N1240 VanDerWaalsContact C-N 3.3Å; L1238-N1240 PolarHBondContact O-N 2.67Å; L1238-T1241 PolarHBondContact O-N 3.17Å; L1238-T1241 PolarHBondContact O-OG1 2.98Å; L1238-D1242 PolarHBondContact O-N 3.37Å; L1238-D1242 VanDerWaalsContact O-N 3.14Å
1239N55Low57.4Low78 Ų78113.6 Ų113.642%0.41757%0.574SS.*Hα-helixtrans-66.2-34.7179.1-71.414.1000111.5Y1235 T1241 D1242 I1243Y1235-N1239 VanDerWaalsContact O-CB 3.3Å; Y1235-N1239 WeakPolarHBondContact O-CB 3.41Å; Y1235-N1239 VanDerWaalsContact O-CG 3.24Å; Y1235-N1239 PolarHBondContact O-N 3.03Å; Y1235-N1239 PolarHBondContact O-OD1 2.81Å; N1239-T1241 PolarHBondContact O-N 2.85Å; N1239-D1242 PolarHBondContact O-N 3.29Å; N1239-I1243 HydrophobicContact CB-CD1 4.04Å; N1239-I1243 VanDerWaalsContact O-CB 3.28Å; N1239-I1243 WeakPolarHBondContact O-CB 3.46Å; N1239-I1243 WeakPolarHBondContact O-CD1 3.09Å; N1239-I1243 WeakPolarHBondContact O-CG1 3.37Å; N1239-I1243 PolarHBondContact O-N 3.17Å
1240N49.9Very low54.7Low118 Ų118118.5 Ų118.563%0.63160%0.602SS**Hα-helixtrans-63.3-27.2173.3-77.213.3000112.7K1236 V1237 L1238K1236-N1240 WeakPolarHBondContact O-CB 3.25Å; K1236-N1240 VanDerWaalsContact O-CG 3.29Å; K1236-N1240 PolarHBondContact O-N 2.76Å; K1236-N1240 PolarHBondContact O-OD1 3.1Å; V1237-N1240 PolarHBondContact O-N 3.5Å; L1238-N1240 VanDerWaalsContact C-N 3.3Å; L1238-N1240 PolarHBondContact O-N 2.67Å
1241T44Very low51.8Low99 Ų99119.8 Ų119.861%0.60762%0.615SS**Hα-helixtrans-80.6-29.3172.443.70000114.4V1237 L1238 N1239V1237-T1241 PolarHBondContact O-N 2.78Å; V1237-T1241 PolarHBondContact O-OG1 2.76Å; L1238-T1241 PolarHBondContact O-N 3.17Å; L1238-T1241 PolarHBondContact O-OG1 2.98Å; N1239-T1241 PolarHBondContact O-N 2.85Å
1242D40.3Very low49Very low106 Ų106118.9 Ų118.957%0.56763%0.628SS**Hα-helixtrans-88.7-28.8-179-74.2-39.1000114.1L1238 N1239 Q1244 S1245L1238-D1242 PolarHBondContact O-N 3.37Å; L1238-D1242 VanDerWaalsContact O-N 3.14Å; N1239-D1242 PolarHBondContact O-N 3.29Å; D1242-Q1244 PolarHBondContact O-N 3.49Å; D1242-Q1244 VanDerWaalsContact O-N 3.13Å; D1242-S1245 PolarHBondContact O-N 3.17Å; D1242-S1245 PolarHBondContact O-OG 3.39Å
1243I39.1Very low46.5Very low88 Ų88121.6 Ų121.645%0.45165%0.647SS.*G310 helixtrans-66.8-16.2-170.9-78.2168.7000114.3N1239 S1245N1239-I1243 HydrophobicContact CB-CD1 4.04Å; N1239-I1243 VanDerWaalsContact O-CB 3.28Å; N1239-I1243 WeakPolarHBondContact O-CB 3.46Å; N1239-I1243 WeakPolarHBondContact O-CD1 3.09Å; N1239-I1243 WeakPolarHBondContact O-CG1 3.37Å; N1239-I1243 PolarHBondContact O-N 3.17Å; I1243-S1245 PolarHBondContact O-N 3.33Å; I1243-S1245 VanDerWaalsContact O-N 3.14Å
1244Q33.8Very low44.1Very low184 Ų184126.7 Ų126.786%0.8667%0.673SS**G310 helixtrans-63.5-15.8173.9-68.6-167.3-6.100113.6D1242D1242-Q1244 PolarHBondContact O-N 3.49Å; D1242-Q1244 VanDerWaalsContact O-N 3.13Å
1245S33.9Very low41.4Very low108 Ų108124.7 Ų124.776%0.75568%0.683SS**G310 helixtrans-103.1-3.4-173.2670000116.3D1242 I1243D1242-S1245 PolarHBondContact O-N 3.17Å; D1242-S1245 PolarHBondContact O-OG 3.39Å; I1243-S1245 PolarHBondContact O-N 3.33Å; I1243-S1245 VanDerWaalsContact O-N 3.14Å
1246A32.5Very low39.1Very low74 Ų74121.8 Ų121.861%0.61268%0.684SS**  trans-132.918.2-162.800000117I1248A1246-I1248 VanDerWaalsContact C-N 3.35Å; A1246-I1248 PolarHBondContact O-N 2.89Å
1247K28.7Very low36.8Very low187 Ų187124.1 Ų124.181%0.81370%0.702SS**  trans-77.665.3-177.2-76.8-174.8175.1174.70114.8
1248I28Very low34.7Very low149 Ų149122.7 Ų122.776%0.76470%0.697SS**  trans-138.5139166.9-56.1-177.8000110.4A1246A1246-I1248 VanDerWaalsContact C-N 3.35Å; A1246-I1248 PolarHBondContact O-N 2.89Å
1249L30.5Very low32.8Very low156 Ų156125.7 Ų125.782%0.81771%0.713SS**  trans8295.5177.2-68.1137.6000118.7
1250N26.2Very low31.6Very low146 Ų146124.7 Ų124.778%0.78171%0.707SS**  trans4.3139.9138.8-45.4-25.2000117.5
1251T27.1Very low30.7Very low136 Ų136121.7 Ų121.783%0.83470%0.695SS**  -168142.955.541.20000113.8
1252G25.6Very low30Very low77 Ų77122 Ų12279%0.79469%0.694SS**  trans81.196.613500000120
1253E29.1Very low29.5Very low194 Ų194122.1 Ų122.191%0.90769%0.686SS**  trans-122.8139.6153.3-72-169.3126.400109.9
1254L27.8Very low28.9Very low161 Ų161121.5 Ų121.584%0.84369%0.689SS**  trans-126.9131.3172.6-114.289.8000109.9
1255C25.5Very low28.6Very low124 Ų124119.8 Ų119.884%0.83868%0.679SS**  trans50.982.9152.4-57.90000118.6
1256S26.2Very low28.3Very low85 Ų85120.4 Ų120.459%0.59468%0.684SS**  trans-121.288.3155.748.80000110.8
1257N26.4Very low28.2Very low165 Ų165123.7 Ų123.788%0.88269%0.69SS**  trans-168.1104.6163.6-105.3-27.8000111.9
1258S31.1Very low28.1Very low70 Ų70120.5 Ų120.549%0.4969%0.689SS.*  trans-149134.1159.458.30000110
1259N27.1Very low28.1Very low134 Ų134115.1 Ų115.172%0.71766%0.662SS**  trans-91.7115.1-172.7-84.5-40000111.4
1260I30.9Very low28Very low57 Ų57110.6 Ų110.629%0.29264%0.644SS.*  trans-129142.2174.5-62175.5000109.9E877 R1039E877-I1260 HydrophobicContact CB-CD1 4.3Å; E877-I1260 HydrophobicContact CG-CD1 4.01Å; E877-I1260 HydrophobicContact CG-CG2 4.38Å; R1039-I1260 PolarHBondContact NE-O 2.95Å; R1039-I1260 PolarHBondContact NH2-O 2.83Å; R1039-I1260 VanDerWaalsContact NH2-O 3.08Å
1261S31.4Very low28.2Very low55 Ų55109.1 Ų109.139%0.38565%0.645SS.*  trans60.597.9168.460.50000120.8
1262D29.5Very low28.4Very low107 Ų107109.1 Ų109.157%0.57263%0.634SS**  trans-80.6124.4134.6167.16.9000107.1S1264 K1265D1262-S1264 PolarHBondContact O-N 3.18Å; D1262-S1264 WeakPolarHBondContact OD1-CB 3.3Å; D1262-S1264 PolarHBondContact OD1-N 3.19Å; D1262-S1264 VanDerWaalsContact OD1-N 3.15Å; D1262-S1264 PolarHBondContact OD1-OG 3.11Å; D1262-S1264 PolarHBondContact OD2-OG 2.85Å; D1262-S1264 VanDerWaalsContact OD2-OG 3.07Å; D1262-K1265 IonicContact OD2-NZ 3.33Å; D1262-K1265 PolarHBondContact OD2-NZ 2.61Å
1263R28.1Very low28.4Very low108 Ų108110.5 Ų110.541%0.40864%0.637SS.*THydrogen-bonded Turntrans-84.332.1-172.5-147.9173.2-175.4-176.11.7113T916 S920T916-R1263 PolarHBondContact O-NH2 3.04Å; T916-R1263 VanDerWaalsContact O-NH2 3.09Å; S920-R1263 PolarHBondContact OG-NH2 3.28Å
1264S27.4Very low28.3Very low74 Ų74108.9 Ų108.952%0.51763%0.634SS.*THydrogen-bonded Turntrans-141.39.1-170.575.50000118.8D1262D1262-S1264 PolarHBondContact O-N 3.18Å; D1262-S1264 WeakPolarHBondContact OD1-CB 3.3Å; D1262-S1264 PolarHBondContact OD1-N 3.19Å; D1262-S1264 VanDerWaalsContact OD1-N 3.15Å; D1262-S1264 PolarHBondContact OD1-OG 3.11Å; D1262-S1264 PolarHBondContact OD2-OG 2.85Å; D1262-S1264 VanDerWaalsContact OD2-OG 3.07Å
1265K28.4Very low28.3Very low148 Ų148106.2 Ų106.264%0.64363%0.629SS**  trans-138134.6165.9-70.992.9-168.8161.80113.2D1262D1262-K1265 IonicContact OD2-NZ 3.33Å; D1262-K1265 PolarHBondContact OD2-NZ 2.61Å
1266S25.9Very low28.5Very low122 Ų122109 Ų10985%0.85363%0.629SS**  trans-72124.8154.4510000109.8
1267L30.3Very low28.7Very low142 Ų142114.5 Ų114.574%0.74364%0.642SS**  trans-106.1142166.6-75.8167.9000109.5
1268P26.6Very low28.7Very low121 Ų121113.8 Ų113.879%0.78664%0.638SS**  trans-77.7156.2-173.732.5-36.2000112.6
1269V28.6Very low28.5Very low35 Ų35118.1 Ų118.121%0.21265%0.651CS.*  trans-116.3136.7-1791690000111.2N869N869-V1269 WeakPolarHBondContact OD1-CG2 3.34Å
1270S27.9Very low28.5Very low61 Ų61118.8 Ų118.843%0.42766%0.66SS.*  trans62.9119157.6-167.50000120.2
1271S31.2Very low28.4Very low116 Ų116119.7 Ų119.781%0.81168%0.684SS**  -140.3139.9122.366.60000112.4
1272K30.6Very low28.2Very low136 Ų136127.6 Ų127.659%0.59171%0.711SS**  trans-74.1149.5-166.4-58.2172.8-178.8-179.50112.3D843D843-K1272 IonicContact OD2-NZ 3.37Å; D843-K1272 PolarHBondContact OD2-NZ 2.7Å
1273A27.3Very low28.1Very low105 Ų105126 Ų12687%0.86872%0.721SS**  trans-135.231.9163.200000113.4S1275A1273-S1275 PolarHBondContact O-N 3.24Å
1274L25.7Very low28.1Very low161 Ų161126 Ų12684%0.84374%0.737SS**  trans-87.694.9170.6-113.2163.9000109.3H1276L1274-H1276 PolarHBondContact O-N 3.42Å
1275S28.8Very low28Very low104 Ų104128.7 Ų128.773%0.72775%0.75SS**  trans-82.2105.2-179.859.90000111.7A1273 K1277A1273-S1275 PolarHBondContact O-N 3.24Å; S1275-K1277 PolarHBondContact O-N 3.28Å; S1275-K1277 VanDerWaalsContact O-N 3.07Å
1276H28.4Very low28.1Very low183 Ų183128.2 Ų128.285%0.84776%0.759SS**  trans-62.9106.9164.5-85.3-97.7000109.9L1274 N1278L1274-H1276 PolarHBondContact O-N 3.42Å; H1276-N1278 PolarHBondContact O-N 3.02Å
1277K30.2Very low28.1Very low201 Ų201127.4 Ų127.487%0.87475%0.753SS**  trans-78.9109167.4-94.2-171.5172.4-177.80109.8S1275 Q1279S1275-K1277 PolarHBondContact O-N 3.28Å; S1275-K1277 VanDerWaalsContact O-N 3.07Å; K1277-Q1279 PolarHBondContact O-N 2.92Å
1278N27.1Very low28Very low149 Ų149127.4 Ų127.480%0.79775%0.753SS**  trans-73.4115.4161.9-91.5-22.4000110.2H1276H1276-N1278 PolarHBondContact O-N 3.02Å
1279Q27.5Very low28.1Very low161 Ų161127.2 Ų127.275%0.75275%0.752SS**SBendtrans49.2148.5141.7-54.7-172.54.500121.9K1277K1277-Q1279 PolarHBondContact O-N 2.92Å
1280T27.3Very low28.1Very low148 Ų148130.5 Ų130.591%0.90878%0.777SS**  trans76.9147.1169.379.50000117.2
1281G28.6Very low28Very low77 Ų77132.5 Ų132.579%0.79479%0.786SS**  trans116.591.5-17900000113.7
1282K27.2Very low27.9Very low220 Ų220132.9 Ų132.996%0.95778%0.783SS**  trans-74.9143.7-174.5-63.1169.6179.6173.60113.3
1283G28Very low27.7Very low75 Ų75136.6 Ų136.677%0.77380%0.795SS**  trans112.3140.2156.800000114.9
1284S26.8Very low27.6Very low107 Ų107139.8 Ų139.875%0.74879%0.792SS**  cis177.2121.6-8.7166.60000106.6
1285V25.7Very low27.6Very low130 Ų130139.8 Ų139.879%0.78879%0.793SS**  trans47.6117.8153.7-171.60000117
1286V29.5Very low27.5Very low138 Ų138139.8 Ų139.884%0.83679%0.793SS**  -137.8163.773.5168.50000112.1
1287S26Very low27.5Very low105 Ų105137.9 Ų137.973%0.73479%0.789SS**  trans-98.7170.1-160.952.40000117.4
1288L29.6Very low27.4Very low142 Ų142134.9 Ų134.974%0.74378%0.783SS**  trans-58.7175171.2-62.498.6000113.9
1289P27.3Very low27.5Very low117 Ų117136.1 Ų136.176%0.7678%0.781SS**  -133.2139.510037.1-29.3000115.4V1291P1289-V1291 HydrophobicContact CB-CG2 4.49Å
1290S30.4Very low27.5Very low105 Ų105134.5 Ų134.573%0.73478%0.776SS**  trans-79.3141.7154.9-48.40000109
1291V25.5Very low27.8Very low103 Ų103132.3 Ų132.362%0.62476%0.762SS**  trans-135.2125.3169.5-171.60000111P1289 Y1293P1289-V1291 HydrophobicContact CB-CG2 4.49Å; V1291-Y1293 HydrophobicContact CG1-CD2 3.84Å; V1291-Y1293 HydrophobicContact CG1-CE2 3.47Å; V1291-Y1293 VanDerWaalsContact CG1-CE2 3.47Å
1292V28.6Very low27.8Very low123 Ų123132.5 Ų132.575%0.74575%0.752SS**  trans-86.6139.5169.2173.20000108.3Q1294V1292-Q1294 HydrophobicContact CG1-CG 4.39Å
1293Y25.7Very low28Very low214 Ų214128.9 Ų128.984%0.83974%0.743SS**  trans-120.8112.8163.8-92.6-74.9000112.6V1291V1291-Y1293 HydrophobicContact CG1-CD2 3.84Å; V1291-Y1293 HydrophobicContact CG1-CE2 3.47Å; V1291-Y1293 VanDerWaalsContact CG1-CE2 3.47Å
1294Q25.1Very low28.1Very low172 Ų172138.1 Ų138.180%0.80477%0.766SS**  trans-83.3168.2163.4-64.4174.2-54.100109.8V1292 S1296V1292-Q1294 HydrophobicContact CG1-CG 4.39Å; Q1294-S1296 PolarHBondContact O-N 3.27Å
1295N25.4Very low28.2Very low161 Ų161139.7 Ų139.786%0.86177%0.767SS**  trans-53.2130169-69.7-29.6000111.8
1296S27.4Very low28.3Very low105 Ų105140.2 Ų140.273%0.73477%0.766SS**  174.1138.2110.946.10000114.6Q1294Q1294-S1296 PolarHBondContact O-N 3.27Å
1297N27.9Very low28.2Very low143 Ų143140.3 Ų140.377%0.76576%0.762SS**  trans36.2128.8140.7-59.2-10000122.6
1298N29.5Very low28.4Very low138 Ų138142.4 Ų142.474%0.73876%0.763SS**  trans83115137.9-70.8-27.5000121.7
1299K29.1Very low28.3Very low175 Ų175142.4 Ų142.476%0.76177%0.765SS**  84.5117.4124.6-77.3-173.7160.6-170.70121.3
1300I28Very low28.4Very low126 Ų126144.1 Ų144.165%0.64677%0.765SS**  96.598.3120.8-72.5176000119.1
1301T31.8Very low28.2Very low102 Ų102146.9 Ų146.963%0.62677%0.767SS**  trans71.9108.7130.968.60000122.3
1302S30.3Very low28.4Very low82 Ų82150.2 Ų150.257%0.57378%0.778SS**  96.5136.4101.574.50000122.3
1303N30.6Very low28.4Very low144 Ų144152.5 Ų152.577%0.7778%0.781SS**  trans69.3100.9147.7-64.518000118.1
1304Q30.3Very low28.7Very low268 Ų268146.9 Ų146.9100%1.25278%0.775SS**  -131.5097.5-155.6167.624.300110.1

Retrieved 1,304 of 1,304 residues in 309.7 ms (Link to these results)

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