A0A077Z4P9_TRITR Loading...

Cwf21 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4P9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 173 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
1M77.1Confident86Confident150 Ų150110.5 Ų110.574%0.73960%0.603SS**  0131.10-72.4177.9176.900108.9P8M1-P8 HydrophobicContact CE-CB 4.25Å; M1-P8 HydrophobicContact CE-CG 4.33Å
2Y74Confident86.5Confident184 Ų184108.3 Ų108.372%0.72263%0.625SS**BIsolated β-bridgetrans-117.7130.5175.6-174.6-99000107.3G4 I5Y2-G4 PolarHBondContact O-N 2.94Å; Y2-G4 VanDerWaalsContact O-N 3.12Å; Y2-I5 PolarHBondContact N-O 2.96Å; Y2-I5 WeakPolarHBondContact O-CG1 3.43Å; Y2-I5 PolarHBondContact O-N 3.44Å
3N86.9Confident86.7Confident133 Ų133103.2 Ų103.271%0.71160%0.599SS**THydrogen-bonded Turntrans49.931.8-172.6-66.1-14.3000115.4I5N3-I5 HydrophobicContact CB-CG1 4.39Å; N3-I5 PolarHBondContact O-N 3.47Å; N3-I5 VanDerWaalsContact O-N 3.16Å
4G88.6Confident87Confident68 Ų68101.9 Ų101.970%0.70162%0.618SS**THydrogen-bonded Turntrans688.3-177.300000115Y2Y2-G4 PolarHBondContact O-N 2.94Å; Y2-G4 VanDerWaalsContact O-N 3.12Å
5I88.9Confident87.3Confident98 Ų98100.5 Ų100.550%0.50361%0.61SS.*BIsolated β-bridgetrans-107.4146.8176.854.6168.4000111.3Y2 N3 V19Y2-I5 PolarHBondContact N-O 2.96Å; Y2-I5 WeakPolarHBondContact O-CG1 3.43Å; Y2-I5 PolarHBondContact O-N 3.44Å; N3-I5 HydrophobicContact CB-CG1 4.39Å; N3-I5 PolarHBondContact O-N 3.47Å; N3-I5 VanDerWaalsContact O-N 3.16Å; I5-V19 HydrophobicContact CD1-CG1 4.2Å
6G89.1Confident87.4Confident37 Ų37103.9 Ų103.938%0.38162%0.624SS.*SBendtrans93.9-178.9179.700000115.1
7L88.3Confident87.5Confident88 Ų8899.8 Ų99.846%0.46160%0.603SS.*  trans-84.7153.6178.5-66.3172.2000111.6
8P88.9Confident87.7Confident102 Ų102104.4 Ų104.466%0.66261%0.61SS**SBendtrans-69.2-34.417527-31.7000112.1M1M1-P8 HydrophobicContact CE-CB 4.25Å; M1-P8 HydrophobicContact CE-CG 4.33Å
9T87.2Confident87.9Confident84 Ų84102.8 Ų102.852%0.51560%0.602SS.*  trans-144.1148.1173.3-176.90000109.8R11T9-R11 HydrophobicContact CG2-CB 4.22Å; T9-R11 PolarHBondContact OG1-N 3.22Å
10A86.8Confident88.1Confident46 Ų46104.9 Ų104.938%0.3861%0.605SS.*SBendtrans-73.7-16.5171.100000112.4G12 S13 A17A10-G12 PolarHBondContact O-N 3.08Å; A10-S13 PolarHBondContact O-N 3.13Å; A10-S13 PolarHBondContact O-OG 3.48Å; A10-A17 HydrophobicContact CB-CB 3.56Å
11R90.7Very high88.2Confident226 Ų226109.4 Ų109.485%0.85361%0.612SS**THydrogen-bonded Turntrans-68.7125.5180-174175.1179.3162.2-0.1109.9T9T9-R11 HydrophobicContact CG2-CB 4.22Å; T9-R11 PolarHBondContact OG1-N 3.22Å
12G91.3Very high88.9Confident84 Ų84107.4 Ų107.487%0.86661%0.605SS**THydrogen-bonded Turntrans90-7.3178.700000115.1A10A10-G12 PolarHBondContact O-N 3.08Å
13S89.2Confident89.7Confident42 Ų42105 Ų10529%0.29460%0.603SS.*SBendtrans-86.5-11.8177.568.10000114.4A10 T15A10-S13 PolarHBondContact O-N 3.13Å; A10-S13 PolarHBondContact O-OG 3.48Å; S13-T15 PolarHBondContact O-N 3.1Å; S13-T15 PolarHBondContact OG-N 3.17Å; S13-T15 PolarHBondContact OG-O 2.89Å; S13-T15 PolarHBondContact OG-OG1 3.04Å; S13-T15 VanDerWaalsContact OG-OG1 3.06Å
14G91.5Very high89.9Confident84 Ų84102.6 Ų102.687%0.86660%0.602SS**SBendtrans65.913.5-17400000114
15T90.5Very high90Very high82 Ų82106.6 Ų106.650%0.50360%0.6SS.*SBendtrans-137.7163.2-17861.80000110.8S13 A17S13-T15 PolarHBondContact O-N 3.1Å; S13-T15 PolarHBondContact OG-N 3.17Å; S13-T15 PolarHBondContact OG-O 2.89Å; S13-T15 PolarHBondContact OG-OG1 3.04Å; S13-T15 VanDerWaalsContact OG-OG1 3.06Å; T15-A17 PolarHBondContact O-N 2.88Å; T15-A17 VanDerWaalsContact O-N 3.07Å
16N89.8Confident89.8Confident155 Ų155108.6 Ų108.683%0.82961%0.611SS**  trans-72.40.9-179.5-47.5-4.4000113.1Y18N16-Y18 PolarHBondContact O-N 3.47Å; N16-Y18 VanDerWaalsContact O-N 3.16Å
17A89.4Confident89.4Confident33 Ų33110.5 Ų110.527%0.27362%0.623SS.*  trans51.429.4-172.600000115.2A10 T15 V19A10-A17 HydrophobicContact CB-CB 3.56Å; T15-A17 PolarHBondContact O-N 2.88Å; T15-A17 VanDerWaalsContact O-N 3.07Å; A17-V19 PolarHBondContact O-N 3.06Å
18Y91.1Very high89Confident183 Ų183112.2 Ų112.272%0.71864%0.637SS**  trans-74.9118.3177.3-175.8-117.8000110.8N16 Q20N16-Y18 PolarHBondContact O-N 3.47Å; N16-Y18 VanDerWaalsContact O-N 3.16Å; Y18-Q20 HydrophobicContact CD1-CG 3.93Å; Y18-Q20 HydrophobicContact CE1-CG 3.37Å
19V90.9Very high88.2Confident75 Ų75111.1 Ų111.146%0.45563%0.631SS.*  trans-104.7119.1-177.8-177.40000109.4I5 A17I5-V19 HydrophobicContact CD1-CG1 4.2Å; A17-V19 PolarHBondContact O-N 3.06Å
20Q91.3Very high87.1Confident144 Ų144113.3 Ų113.367%0.67365%0.645SS**PPolyproline II helixtrans-101.7148.1172-70.4-178.5-37.600110.7Y18Y18-Q20 HydrophobicContact CD1-CG 3.93Å; Y18-Q20 HydrophobicContact CE1-CG 3.37Å
21R91.6Very high86Confident199 Ų199119.7 Ų119.775%0.75166%0.664SS**PPolyproline II helixtrans-65.5142.2169.869-175.1-175.488.70.6110.1L23R21-L23 HydrophobicContact CG-CD2 4.37Å; R21-L23 PolarHBondContact O-N 2.89Å
22N90.2Very high84.6Confident109 Ų109118.2 Ų118.258%0.58366%0.664SS**PPolyproline II helixtrans-71.7117.3172.5-175.8-2.8000110.1A24 F25N22-A24 WeakPolarHBondContact OD1-CB 3.4Å; N22-A24 PolarHBondContact OD1-N 3.49Å; N22-F25 HydrophobicContact CB-CB 4.16Å
23L92Very high83.4Confident133 Ų133119.5 Ų119.570%0.69666%0.655SS**THydrogen-bonded Turntrans-75.8-23.2176.9-63.8-178.6000113.5R21 F25R21-L23 HydrophobicContact CG-CD2 4.37Å; R21-L23 PolarHBondContact O-N 2.89Å; L23-F25 VanDerWaalsContact C-N 3.31Å
24A91.8Very high82.3Confident82 Ų82120.5 Ų120.568%0.67867%0.672SS**THydrogen-bonded Turntrans-85.5-2.8178.600000113N22 I26N22-A24 WeakPolarHBondContact OD1-CB 3.4Å; N22-A24 PolarHBondContact OD1-N 3.49Å; A24-I26 PolarHBondContact O-N 3.43Å; A24-I26 VanDerWaalsContact O-N 3.15Å
25F89Confident81.1Confident152 Ų152126.2 Ų126.267%0.66767%0.669SS**  trans-74.4106.2177.4-176.5-100.7000110.3N22 L23 A27N22-F25 HydrophobicContact CB-CB 4.16Å; L23-F25 VanDerWaalsContact C-N 3.31Å; F25-A27 HydrophobicContact CE1-CB 4.3Å; F25-A27 PolarHBondContact O-N 3.28Å
26I85.1Confident80.1Confident140 Ų140131.3 Ų131.372%0.71868%0.679SS**  trans-81113169.5-59.2172.3000107.3A24 V28A24-I26 PolarHBondContact O-N 3.43Å; A24-I26 VanDerWaalsContact O-N 3.15Å; I26-V28 VanDerWaalsContact C-N 3.34Å; I26-V28 PolarHBondContact O-N 2.71Å
27A81.6Confident79.5Confident78 Ų78127.9 Ų127.965%0.64566%0.664SS**  trans-65.196.9169.800000108.6F25 S29F25-A27 HydrophobicContact CE1-CB 4.3Å; F25-A27 PolarHBondContact O-N 3.28Å; A27-S29 PolarHBondContact O-N 3.03Å
28V78.5Confident79Confident123 Ų123134.5 Ų134.575%0.74569%0.689SS**  trans-65.6105.6170.9-174.60000106.2I26 T30I26-V28 VanDerWaalsContact C-N 3.34Å; I26-V28 PolarHBondContact O-N 2.71Å; V28-T30 PolarHBondContact O-N 2.86Å
29S72.9Confident78.5Confident79 Ų79129.1 Ų129.155%0.55267%0.673SS**  trans-55.3108.1174.4153.60000108.1A27 K31A27-S29 PolarHBondContact O-N 3.03Å; S29-K31 PolarHBondContact O-N 3.18Å; S29-K31 WeakPolarHBondContact OG-CB 3.47Å; S29-K31 VanDerWaalsContact OG-CG 3.29Å; S29-K31 WeakPolarHBondContact OG-CG 3.43Å; S29-K31 PolarHBondContact OG-N 3.1Å
30T64.2Low78Confident131 Ų131128.7 Ų128.780%0.80467%0.668SS**  trans-70.127.617157.30000112.1V28 K32V28-T30 PolarHBondContact O-N 2.86Å; T30-K32 PolarHBondContact O-N 3.21Å
31K63Low77.4Confident179 Ų179125.9 Ų125.978%0.77866%0.657SS**  trans-64.982.1159.1-72.1-177.9-180-177.80106.4S29 V33S29-K31 PolarHBondContact O-N 3.18Å; S29-K31 WeakPolarHBondContact OG-CB 3.47Å; S29-K31 VanDerWaalsContact OG-CG 3.29Å; S29-K31 WeakPolarHBondContact OG-CG 3.43Å; S29-K31 PolarHBondContact OG-N 3.1Å; K31-V33 PolarHBondContact O-N 2.89Å
32K62.8Low76.9Confident195 Ų195124.2 Ų124.285%0.84865%0.651SS**  trans-45.9117.4162.6-70.4-178.5176.5-177.50105.1T30 G34T30-K32 PolarHBondContact O-N 3.21Å; K32-G34 PolarHBondContact O-N 3.36Å
33V65.8Low76.4Confident111 Ų111126.5 Ų126.567%0.67365%0.651SS**  trans-57.3102.6166.5-179.90000104K31 Y35K31-V33 PolarHBondContact O-N 2.89Å; V33-Y35 WeakPolarHBondContact O-CD2 3.16Å; V33-Y35 PolarHBondContact O-N 3.32Å
34G64.8Low75.7Confident64 Ų64121.6 Ų121.666%0.6663%0.628SS**  trans-68.189.1176.900000106.3K32 R36K32-G34 PolarHBondContact O-N 3.36Å; G34-R36 PolarHBondContact O-N 3.47Å
35Y67.6Low75.1Confident203 Ų203122.5 Ų122.580%0.79662%0.618SS**PPolyproline II helixtrans-51.2117.8163.1-66.6-81.3000105.3V33 T37V33-Y35 WeakPolarHBondContact O-CD2 3.16Å; V33-Y35 PolarHBondContact O-N 3.32Å; Y35-T37 PolarHBondContact O-N 3.25Å
36R68Low74.5Confident189 Ų189118.3 Ų118.371%0.71361%0.611SS**PPolyproline II helixtrans-57.3119.1174.7-73.9-173.8178.1178.31.1105.8G34 D40G34-R36 PolarHBondContact O-N 3.47Å; R36-D40 HydrophobicContact CB-CB 3.91Å; R36-D40 HydrophobicContact CG-CB 4.32Å
37T78.3Confident74Confident84 Ų84121.4 Ų121.452%0.51561%0.614SS.*PPolyproline II helixtrans-59.5154.3175.3-46.70000107.3Y35 D39 D40 L41Y35-T37 PolarHBondContact O-N 3.25Å; T37-D39 HydrophobicContact CG2-CB 4.41Å; T37-D39 PolarHBondContact O-N 3.41Å; T37-D40 PolarHBondContact N-OD2 3.35Å; T37-D40 WeakPolarHBondContact O-CA 3.34Å; T37-D40 WeakPolarHBondContact O-CB 3.5Å; T37-D40 PolarHBondContact O-N 2.88Å; T37-D40 PolarHBondContact OG1-OD2 2.84Å; T37-L41 PolarHBondContact O-N 3.22Å; T37-L41 VanDerWaalsContact O-N 3.07Å
38E79Confident73.5Confident171 Ų171124.6 Ų124.680%0.79962%0.62SS**Hα-helixtrans-50.9-32.9174.1-65.5-174.2163.800111.7L41 R42E38-L41 PolarHBondContact O-N 2.99Å; E38-R42 WeakPolarHBondContact O-CB 3.47Å; E38-R42 PolarHBondContact O-N 3.38Å
39D80.1Confident73.2Confident70 Ų70124.8 Ų124.837%0.37462%0.616SS.*Hα-helixtrans-63.5-38.6171.6-83.3-41.5000114.5T37 R42 R43T37-D39 HydrophobicContact CG2-CB 4.41Å; T37-D39 PolarHBondContact O-N 3.41Å; D39-R42 IonicContact OD1-CZ 3.25Å; D39-R42 IonicContact OD1-NE 3.35Å; D39-R42 IonicContact OD1-NH2 3.8Å; D39-R42 PolarHBondContact OD1-NH2 3.47Å; D39-R43 WeakPolarHBondContact O-CB 3.4Å; D39-R43 WeakPolarHBondContact O-CG 3.46Å; D39-R43 PolarHBondContact O-N 3.45Å
40D81.2Confident73.5Confident66 Ų66127.4 Ų127.435%0.35362%0.618SS.*Hα-helixtrans-68.6-38.8176.3-66-42.5000110.8R36 T37 R43 S44R36-D40 HydrophobicContact CB-CB 3.91Å; R36-D40 HydrophobicContact CG-CB 4.32Å; T37-D40 PolarHBondContact N-OD2 3.35Å; T37-D40 WeakPolarHBondContact O-CA 3.34Å; T37-D40 WeakPolarHBondContact O-CB 3.5Å; T37-D40 PolarHBondContact O-N 2.88Å; T37-D40 PolarHBondContact OG1-OD2 2.84Å; D40-R43 PolarHBondContact O-N 3.49Å; D40-S44 WeakPolarHBondContact O-CB 3.3Å; D40-S44 PolarHBondContact O-N 3.19Å; D40-S44 PolarHBondContact O-OG 3.45Å
41L78.5Confident74.5Confident86 Ų86129.4 Ų129.445%0.4562%0.616SS.*Hα-helixtrans-62.6-51.5174.2-173.966.3000110.2T37 E38 R43 S44 E45T37-L41 PolarHBondContact O-N 3.22Å; T37-L41 VanDerWaalsContact O-N 3.07Å; E38-L41 PolarHBondContact O-N 2.99Å; L41-R43 VanDerWaalsContact C-N 3.32Å; L41-R43 PolarHBondContact O-N 3.06Å; L41-S44 WeakPolarHBondContact O-CA 3.48Å; L41-S44 WeakPolarHBondContact O-CB 3.19Å; L41-S44 PolarHBondContact O-N 2.97Å; L41-S44 PolarHBondContact O-OG 2.89Å; L41-E45 WeakPolarHBondContact O-CG 3.36Å; L41-E45 PolarHBondContact O-N 3.06Å
42R80Confident75.7Confident163 Ų163122.7 Ų122.762%0.61559%0.59SS**Hα-helixtrans-57.6-42.2177.6-174.6174.163.6152.6-3.2112.4E38 D39 A46E38-R42 WeakPolarHBondContact O-CB 3.47Å; E38-R42 PolarHBondContact O-N 3.38Å; D39-R42 IonicContact OD1-CZ 3.25Å; D39-R42 IonicContact OD1-NE 3.35Å; D39-R42 IonicContact OD1-NH2 3.8Å; D39-R42 PolarHBondContact OD1-NH2 3.47Å; R42-A46 VanDerWaalsContact O-CB 3.31Å; R42-A46 WeakPolarHBondContact O-CB 3.38Å; R42-A46 PolarHBondContact O-N 3.5Å
43R80.8Confident77.1Confident158 Ų158116.4 Ų116.460%0.59657%0.566SS**Hα-helixtrans-64.9-39174.8-74.7171.2-174.3-170.22.6111.9D39 D40 L41 R47D39-R43 WeakPolarHBondContact O-CB 3.4Å; D39-R43 WeakPolarHBondContact O-CG 3.46Å; D39-R43 PolarHBondContact O-N 3.45Å; D40-R43 PolarHBondContact O-N 3.49Å; L41-R43 VanDerWaalsContact C-N 3.32Å; L41-R43 PolarHBondContact O-N 3.06Å; R43-R47 VanDerWaalsContact O-CG 3.32Å; R43-R47 WeakPolarHBondContact O-CG 3.39Å; R43-R47 PolarHBondContact O-N 3.12Å; R43-R47 VanDerWaalsContact O-N 3.1Å
44S77.3Confident78.2Confident30 Ų30113.9 Ų113.921%0.2156%0.557CS.*Hα-helixtrans-67.5-43.4178.274.70000111.9D40 L41 R47 L48D40-S44 WeakPolarHBondContact O-CB 3.3Å; D40-S44 PolarHBondContact O-N 3.19Å; D40-S44 PolarHBondContact O-OG 3.45Å; L41-S44 WeakPolarHBondContact O-CA 3.48Å; L41-S44 WeakPolarHBondContact O-CB 3.19Å; L41-S44 PolarHBondContact O-N 2.97Å; L41-S44 PolarHBondContact O-OG 2.89Å; S44-R47 PolarHBondContact O-N 3.42Å; S44-L48 WeakPolarHBondContact O-CG 3.31Å; S44-L48 PolarHBondContact O-N 2.9Å; S44-L48 VanDerWaalsContact O-N 3.09Å
45E78Confident79.5Confident100 Ų100118 Ų11847%0.46756%0.559SS.*Hα-helixtrans-63.4-41.9175.3-70.1179168.600111.6L41 R47 L48 N49L41-E45 WeakPolarHBondContact O-CG 3.36Å; L41-E45 PolarHBondContact O-N 3.06Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 3.04Å; E45-L48 PolarHBondContact O-N 3.39Å; E45-N49 WeakPolarHBondContact O-CB 3.35Å; E45-N49 PolarHBondContact O-N 2.89Å; E45-N49 PolarHBondContact O-ND2 3.27Å
46A77.2Confident80.6Confident64 Ų64111 Ų11153%0.52953%0.534SS..Hα-helixtrans-62.2-35.4175.900000112.7R42 K50R42-A46 VanDerWaalsContact O-CB 3.31Å; R42-A46 WeakPolarHBondContact O-CB 3.38Å; R42-A46 PolarHBondContact O-N 3.5Å; A46-K50 PolarHBondContact O-N 2.95Å
47R73.5Confident81.6Confident206 Ų206102.3 Ų102.378%0.77750%0.502SS*.Hα-helixtrans-69.6-37.8175.4-73.6176-174-156.52.1112.3R43 S44 E45R43-R47 VanDerWaalsContact O-CG 3.32Å; R43-R47 WeakPolarHBondContact O-CG 3.39Å; R43-R47 PolarHBondContact O-N 3.12Å; R43-R47 VanDerWaalsContact O-N 3.1Å; S44-R47 PolarHBondContact O-N 3.42Å; E45-R47 VanDerWaalsContact C-N 3.29Å; E45-R47 PolarHBondContact O-N 3.04Å
48L71.7Confident82.3Confident144 Ų144101.7 Ų101.775%0.75450%0.496SS*.Hα-helixtrans-71.1-34.9178.9-67.8172.1000112.1S44 E45S44-L48 WeakPolarHBondContact O-CG 3.31Å; S44-L48 PolarHBondContact O-N 2.9Å; S44-L48 VanDerWaalsContact O-N 3.09Å; E45-L48 PolarHBondContact O-N 3.39Å
49N71.9Confident82.9Confident127 Ų12799.2 Ų99.268%0.67948%0.484SS*.THydrogen-bonded Turntrans-99.520.3-176.3-63.3-36.7000113.6E45 K51E45-N49 WeakPolarHBondContact O-CB 3.35Å; E45-N49 PolarHBondContact O-N 2.89Å; E45-N49 PolarHBondContact O-ND2 3.27Å; N49-K51 PolarHBondContact O-N 3.16Å
50K80.5Confident83.5Confident135 Ų13597.4 Ų97.459%0.58747%0.473SS*.PPolyproline II helixtrans-62.8122.7180-171178.3-179.9-172.50109.2A46 T127A46-K50 PolarHBondContact O-N 2.95Å; K50-T127 WeakPolarHBondContact O-CG2 3.37Å
51K85.2Confident84Confident173 Ų17396 Ų9675%0.75246%0.463SS*.PPolyproline II helixtrans-62.5147.3176-66.6-177179.5-178.20110.6N49N49-K51 PolarHBondContact O-N 3.16Å
52P88.3Confident84.6Confident37 Ų3798.2 Ų98.224%0.2447%0.469CS..PPolyproline II helixtrans-64143.8171.729.8-34.2000109.6L57 H124 E128P52-L57 HydrophobicContact CB-CD1 4.02Å; P52-H124 HydrophobicContact CB-CB 4.47Å; P52-E128 HydrophobicContact CB-CB 4.21Å; P52-E128 HydrophobicContact CG-CB 4.22Å
53N90.3Very high85.3Confident63 Ų6396.9 Ų96.934%0.33746%0.464SS..PPolyproline II helixtrans-87.7116.1176.7-175.1-1.1000108.7E55 I56 L57 H124N53-E55 VanDerWaalsContact C-N 3.26Å; N53-E55 PolarHBondContact O-N 3.28Å; N53-E55 PolarHBondContact OD1-N 3.13Å; N53-I56 HydrophobicContact CB-CB 4.31Å; N53-I56 HydrophobicContact CB-CD1 3.93Å; N53-I56 HydrophobicContact CB-CG1 4.07Å; N53-I56 PolarHBondContact O-N 3.09Å; N53-I56 VanDerWaalsContact O-N 3.15Å; N53-L57 WeakPolarHBondContact O-CG 3.22Å; N53-L57 PolarHBondContact O-N 2.88Å; N53-H124 PolarHBondContact N-ND1 3.07Å
54A90.2Very high85.8Confident59 Ų5990.7 Ų90.749%0.48844%0.441SS..Hα-helixtrans-57.7-38-177.600000112.6I56 L57 D58A54-I56 VanDerWaalsContact C-N 3.29Å; A54-I56 PolarHBondContact O-N 3.37Å; A54-L57 PolarHBondContact O-N 3.04Å; A54-D58 WeakPolarHBondContact O-CB 3.29Å; A54-D58 PolarHBondContact O-N 3.11Å
55E91.5Very high86.7Confident151 Ų15189.3 Ų89.371%0.70643%0.431SS*.Hα-helixtrans-63.1-36.7179.9-64.1176.2177.600112.3N53 H59N53-E55 VanDerWaalsContact C-N 3.26Å; N53-E55 PolarHBondContact O-N 3.28Å; N53-E55 PolarHBondContact OD1-N 3.13Å; E55-H59 VanDerWaalsContact O-CB 3.22Å; E55-H59 WeakPolarHBondContact O-CB 3.29Å; E55-H59 PolarHBondContact O-N 3.16Å
56I90.9Very high87.5Confident54 Ų5488.7 Ų88.728%0.27743%0.429SS..Hα-helixtrans-71.6-43.5178.6-64.3176.6000110N53 A54 D58 H59 E60 H124N53-I56 HydrophobicContact CB-CB 4.31Å; N53-I56 HydrophobicContact CB-CD1 3.93Å; N53-I56 HydrophobicContact CB-CG1 4.07Å; N53-I56 PolarHBondContact O-N 3.09Å; N53-I56 VanDerWaalsContact O-N 3.15Å; A54-I56 VanDerWaalsContact C-N 3.29Å; A54-I56 PolarHBondContact O-N 3.37Å; I56-D58 PolarHBondContact O-N 3.05Å; I56-H59 PolarHBondContact O-N 3.38Å; I56-E60 PolarHBondContact O-N 3.46Å; I56-H124 WeakPolarHBondContact CD1-NE2 3.37Å; I56-H124 HydrophobicContact CG2-CB 4.42Å
57L89.5Confident88.3Confident7 Ų788.7 Ų88.74%0.03742%0.419CS..Hα-helixtrans-59.4-47.2176.5-62.2176000111.2P52 N53 A54 H59 E60 R61 H124 H125 E128P52-L57 HydrophobicContact CB-CD1 4.02Å; N53-L57 WeakPolarHBondContact O-CG 3.22Å; N53-L57 PolarHBondContact O-N 2.88Å; A54-L57 PolarHBondContact O-N 3.04Å; L57-H59 VanDerWaalsContact C-N 3.35Å; L57-H59 PolarHBondContact O-N 3.42Å; L57-E60 PolarHBondContact O-N 3.06Å; L57-R61 WeakPolarHBondContact O-CG 3.44Å; L57-R61 PolarHBondContact O-N 2.87Å; L57-H124 HydrophobicContact CD2-CB 4.08Å; L57-H125 WeakPolarHBondContact CD2-CD2 3.3Å; L57-H125 WeakPolarHBondContact CD2-NE2 3.44Å; L57-E128 HydrophobicContact CD1-CB 4.45Å; L57-E128 HydrophobicContact CD1-CG 4.35Å
58D91.9Very high89.4Confident72 Ų7282 Ų8239%0.38540%0.396SS..Hα-helixtrans-67.6-36.8179.7-70.4-19.9000112.1A54 I56 R61 K62A54-D58 WeakPolarHBondContact O-CB 3.29Å; A54-D58 PolarHBondContact O-N 3.11Å; I56-D58 PolarHBondContact O-N 3.05Å; D58-R61 IonicContact OD1-NH1 3.89Å; D58-R61 PolarHBondContact OD1-NH1 3.3Å; D58-R61 VanDerWaalsContact OD1-NH1 3.08Å; D58-K62 WeakPolarHBondContact O-CG 3.48Å; D58-K62 PolarHBondContact O-N 3.2Å
59H93.1Very high90.6Very high119 Ų11975.3 Ų75.355%0.55136%0.361SS*.Hα-helixtrans-62.8-45.7173.6176.9-95.6000111.5E55 I56 L57 R61 K62 R63E55-H59 VanDerWaalsContact O-CB 3.22Å; E55-H59 WeakPolarHBondContact O-CB 3.29Å; E55-H59 PolarHBondContact O-N 3.16Å; I56-H59 PolarHBondContact O-N 3.38Å; L57-H59 VanDerWaalsContact C-N 3.35Å; L57-H59 PolarHBondContact O-N 3.42Å; H59-R61 PolarHBondContact O-N 3.49Å; H59-K62 PolarHBondContact O-N 2.93Å; H59-R63 VanDerWaalsContact O-CB 3.26Å; H59-R63 WeakPolarHBondContact O-CB 3.35Å; H59-R63 PolarHBondContact O-N 3.09Å
60E90.9Very high91.8Very high31 Ų3173.7 Ų73.715%0.14535%0.352CS..Hα-helixtrans-66.7-37.1179.4-75.1-169.6-153.200112.9I56 L57 R63 K64 D122 H125I56-E60 PolarHBondContact O-N 3.46Å; L57-E60 PolarHBondContact O-N 3.06Å; E60-R63 PolarHBondContact O-N 3.06Å; E60-K64 PolarHBondContact O-N 3.23Å; E60-D122 WeakPolarHBondContact OE1-CB 3.31Å; E60-D122 WeakPolarHBondContact OE2-CB 3.25Å; E60-H125 VanDerWaalsContact CB-CE1 3.41Å; E60-H125 WeakPolarHBondContact CB-CE1 3.43Å; E60-H125 VanDerWaalsContact CD-CE1 3.41Å; E60-H125 IonicContact OE2-CE1 2.71Å; E60-H125 PolarHBondContact OE2-CE1 2.92Å; E60-H125 IonicContact OE2-ND1 3.32Å; E60-H125 PolarHBondContact OE2-ND1 3.33Å
61R91.7Very high92.5Very high37 Ų3773.3 Ų73.314%0.1435%0.352CS..Hα-helixtrans-58.2-50.5171.7-75.3170.6-174.6158.31.9111.7L57 D58 H59 K64 V65 L101 F108 V109 E128L57-R61 WeakPolarHBondContact O-CG 3.44Å; L57-R61 PolarHBondContact O-N 2.87Å; D58-R61 IonicContact OD1-NH1 3.89Å; D58-R61 PolarHBondContact OD1-NH1 3.3Å; D58-R61 VanDerWaalsContact OD1-NH1 3.08Å; H59-R61 PolarHBondContact O-N 3.49Å; R61-K64 PolarHBondContact O-N 3.48Å; R61-V65 PolarHBondContact O-N 3.35Å; R61-L101 HydrophobicContact CB-CD1 3.74Å; R61-L101 HydrophobicContact CB-CD2 4.36Å; R61-L101 HydrophobicContact CG-CD1 4.09Å; R61-F108 HydrophobicContact CG-CB 4.4Å; R61-V109 HydrophobicContact CG-CG2 3.82Å; R61-E128 IonicContact NH2-OE1 3.6Å; R61-E128 PolarHBondContact NH2-OE1 3.07Å; R61-E128 IonicContact NH2-OE2 3.81Å
62K92.8Very high93.1Very high132 Ų13267.2 Ų67.257%0.57433%0.328SS*.Hα-helixtrans-63.1-41.2176.5-71.2174.5-176.5176.90112.1D58 H59 K64 V65 E66D58-K62 WeakPolarHBondContact O-CG 3.48Å; D58-K62 PolarHBondContact O-N 3.2Å; H59-K62 PolarHBondContact O-N 2.93Å; K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3.4Å; K62-V65 WeakPolarHBondContact O-CB 3.28Å; K62-V65 PolarHBondContact O-N 3.31Å; K62-V65 VanDerWaalsContact O-N 3.16Å; K62-E66 PolarHBondContact O-N 2.95Å; K62-E66 VanDerWaalsContact O-N 3.11Å
63R93.6Very high93.5Very high136 Ų13670.5 Ų70.551%0.51334%0.335SS..Hα-helixtrans-58.4-42.1175.9-179.8179.1176.5-88.3-6.4111.2H59 E60 V65 E66 L67H59-R63 VanDerWaalsContact O-CB 3.26Å; H59-R63 WeakPolarHBondContact O-CB 3.35Å; H59-R63 PolarHBondContact O-N 3.09Å; E60-R63 PolarHBondContact O-N 3.06Å; R63-V65 VanDerWaalsContact C-N 3.34Å; R63-E66 PolarHBondContact O-N 3.42Å; R63-L67 HydrophobicContact CG-CD1 4.32Å; R63-L67 HydrophobicContact CG-CG 4.48Å; R63-L67 WeakPolarHBondContact O-CG 3.42Å; R63-L67 PolarHBondContact O-N 3.31Å
64K92.4Very high93.8Very high28 Ų2871.7 Ų71.712%0.12234%0.342CS..Hα-helixtrans-67.1-32.1177.5-82.4174.9163.2-160.50113.3E60 R61 K62 K68 F108 V109 E111E60-K64 PolarHBondContact O-N 3.23Å; R61-K64 PolarHBondContact O-N 3.48Å; K62-K64 VanDerWaalsContact C-N 3.29Å; K62-K64 PolarHBondContact O-N 3.4Å; K64-K68 WeakPolarHBondContact O-CG 3.4Å; K64-K68 PolarHBondContact O-N 3.34Å; K64-F108 HydrophobicContact CB-CD1 4.36Å; K64-F108 WeakPolarHBondContact CD-O 3.34Å; K64-V109 PolarHBondContact NZ-O 3.05Å; K64-E111 WeakPolarHBondContact CE-OE1 3.15Å; K64-E111 IonicContact NZ-OE1 2.74Å; K64-E111 PolarHBondContact NZ-OE1 2.79Å
65V94.8Very high94.1Very high0 Ų073.5 Ų73.50%034%0.342CS..Hα-helixtrans-60.8-52.1169.81720000110.3R61 K62 R63 L67 K68 C69 L97 L98 L101 F108R61-V65 PolarHBondContact O-N 3.35Å; K62-V65 WeakPolarHBondContact O-CB 3.28Å; K62-V65 PolarHBondContact O-N 3.31Å; K62-V65 VanDerWaalsContact O-N 3.16Å; R63-V65 VanDerWaalsContact C-N 3.34Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 2.95Å; V65-K68 PolarHBondContact O-N 3.37Å; V65-C69 PolarHBondContact O-N 3.48Å; V65-C69 PolarHBondContact O-SG 2.92Å; V65-L97 HydrophobicContact CG1-CB 3.76Å; V65-L97 HydrophobicContact CG1-CD1 4.14Å; V65-L97 HydrophobicContact CG2-CB 4.29Å; V65-L98 HydrophobicContact CG1-CD2 4.29Å; V65-L98 HydrophobicContact CG1-CG 4.4Å; V65-L101 HydrophobicContact CG2-CB 4.46Å; V65-L101 HydrophobicContact CG2-CD2 4.04Å; V65-F108 HydrophobicContact CG2-CD1 3.85Å; V65-F108 HydrophobicContact CG2-CE1 3.59Å; V65-F108 HydrophobicContact CG2-CZ 4.26Å
66E95.5Very high94.4Very high88 Ų8866.6 Ų66.641%0.41131%0.31SS..Hα-helixtrans-66.2-33.5-178.7-65.6-57.6150.100112.9K62 R63 C69 L70 R94K62-E66 PolarHBondContact O-N 2.95Å; K62-E66 VanDerWaalsContact O-N 3.11Å; R63-E66 PolarHBondContact O-N 3.42Å; E66-C69 WeakPolarHBondContact O-CB 3.42Å; E66-C69 PolarHBondContact O-N 3.15Å; E66-L70 WeakPolarHBondContact O-CB 3.35Å; E66-L70 PolarHBondContact O-N 3.36Å; E66-R94 IonicContact OE1-NE 3.43Å; E66-R94 PolarHBondContact OE1-NE 2.84Å; E66-R94 IonicContact OE2-CZ 3.04Å; E66-R94 IonicContact OE2-NE 3.55Å; E66-R94 PolarHBondContact OE2-NE 2.76Å; E66-R94 IonicContact OE2-NH2 3.46Å; E66-R94 PolarHBondContact OE2-NH2 3.34Å
67L94.9Very high94.6Very high64 Ų6468.1 Ų68.134%0.33532%0.316SS..Hα-helixtrans-60-47172.8-76.5173.5000111.8R63 V65 C69 L70 E71R63-L67 HydrophobicContact CG-CD1 4.32Å; R63-L67 HydrophobicContact CG-CG 4.48Å; R63-L67 WeakPolarHBondContact O-CG 3.42Å; R63-L67 PolarHBondContact O-N 3.31Å; V65-L67 VanDerWaalsContact C-N 3.33Å; V65-L67 PolarHBondContact O-N 2.95Å; L67-C69 VanDerWaalsContact C-N 3.3Å; L67-C69 PolarHBondContact O-N 3.5Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-L70 VanDerWaalsContact O-N 3.16Å; L67-E71 WeakPolarHBondContact O-CG 3.39Å; L67-E71 PolarHBondContact O-N 3.34Å
68K95.1Very high94.9Very high66 Ų6671.2 Ų71.229%0.28735%0.35SS..Hα-helixtrans-62.7-38.2176.2-69.3179-178.5178.20111.8K64 V65 L70 E71 L72 Y93 L97 F108K64-K68 WeakPolarHBondContact O-CG 3.4Å; K64-K68 PolarHBondContact O-N 3.34Å; V65-K68 PolarHBondContact O-N 3.37Å; K68-L70 VanDerWaalsContact C-N 3.33Å; K68-E71 PolarHBondContact O-N 3.05Å; K68-L72 PolarHBondContact O-N 3.49Å; K68-Y93 HydrophobicContact CB-CE1 3.96Å; K68-L97 HydrophobicContact CB-CD1 3.62Å; K68-L97 HydrophobicContact CD-CD1 3.95Å; K68-L97 HydrophobicContact CD-CD2 3.92Å; K68-L97 HydrophobicContact CG-CD1 4.44Å; K68-F108 HydrophobicContact CD-CE1 4.29Å
69C96.7Very high95.1Very high3 Ų373.5 Ų73.52%0.0236%0.358CS..Hα-helixtrans-63.1-39.6174.5-69.40000112.1V65 E66 L67 R73 V90V65-C69 PolarHBondContact O-N 3.48Å; V65-C69 PolarHBondContact O-SG 2.92Å; E66-C69 WeakPolarHBondContact O-CB 3.42Å; E66-C69 PolarHBondContact O-N 3.15Å; L67-C69 VanDerWaalsContact C-N 3.3Å; L67-C69 PolarHBondContact O-N 3.5Å; C69-R73 PolarHBondContact O-N 2.94Å; C69-R73 VanDerWaalsContact O-N 3.09Å; C69-V90 HydrophobicContact CB-CG1 4.11Å
70L97.2Very high95.2Very high93 Ų9370.9 Ų70.949%0.48736%0.364SS..Hα-helixtrans-68-43.5176.2-172.5149.9000111.4E66 L67 K68 L72 R73 D74E66-L70 WeakPolarHBondContact O-CB 3.35Å; E66-L70 PolarHBondContact O-N 3.36Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-L70 VanDerWaalsContact O-N 3.16Å; K68-L70 VanDerWaalsContact C-N 3.33Å; L70-L72 VanDerWaalsContact C-N 3.3Å; L70-L72 PolarHBondContact O-N 3.01Å; L70-R73 WeakPolarHBondContact O-CB 3.39Å; L70-R73 PolarHBondContact O-N 3.33Å; L70-R73 VanDerWaalsContact O-N 3.13Å; L70-D74 VanDerWaalsContact CD2-OD2 3.29Å; L70-D74 WeakPolarHBondContact CD2-OD2 3.26Å; L70-D74 PolarHBondContact O-N 3.27Å
71E96.6Very high95.5Very high126 Ų12674.1 Ų74.159%0.58938%0.375SS*.Hα-helixtrans-58.2-41.5174.8-73171.7-177.400112.2L67 K68 L75L67-E71 WeakPolarHBondContact O-CG 3.39Å; L67-E71 PolarHBondContact O-N 3.34Å; K68-E71 PolarHBondContact O-N 3.05Å; E71-L75 WeakPolarHBondContact O-CB 3.35Å; E71-L75 PolarHBondContact O-N 3.27Å
72L96.8Very high95.7Very high46 Ų4675.5 Ų75.524%0.24139%0.389CS..Hα-helixtrans-64-43.1175.5177.963.4000111.5K68 L70 L75 M76 V90 Y93K68-L72 PolarHBondContact O-N 3.49Å; L70-L72 VanDerWaalsContact C-N 3.3Å; L70-L72 PolarHBondContact O-N 3.01Å; L72-L75 PolarHBondContact O-N 3.29Å; L72-M76 HydrophobicContact CD1-CG 4.36Å; L72-M76 HydrophobicContact CD1-SD 4.42Å; L72-M76 HydrophobicContact CG-SD 4.43Å; L72-M76 WeakPolarHBondContact O-CG 3.48Å; L72-M76 PolarHBondContact O-N 2.91Å; L72-V90 HydrophobicContact CD2-CG2 4.28Å; L72-V90 HydrophobicContact CG-CG2 4.35Å; L72-Y93 HydrophobicContact CB-CD1 4.21Å; L72-Y93 HydrophobicContact CB-CE1 4.34Å; L72-Y93 HydrophobicContact CD2-CD1 3.53Å; L72-Y93 HydrophobicContact CD2-CD2 4.4Å; L72-Y93 HydrophobicContact CD2-CE1 4.27Å; L72-Y93 HydrophobicContact CD2-CG 3.6Å
73R96.7Very high95.8Very high106 Ų10674.1 Ų74.140%0.438%0.384SS..Hα-helixtrans-59.2-53.8176.5-176.8-175.9-177.417012.6110.8C69 L70 L75 M76 E77 E83 I86 V90C69-R73 PolarHBondContact O-N 2.94Å; C69-R73 VanDerWaalsContact O-N 3.09Å; L70-R73 WeakPolarHBondContact O-CB 3.39Å; L70-R73 PolarHBondContact O-N 3.33Å; L70-R73 VanDerWaalsContact O-N 3.13Å; R73-L75 PolarHBondContact O-N 3.21Å; R73-M76 PolarHBondContact O-N 3.21Å; R73-E77 HydrophobicContact CG-CG 4.33Å; R73-E77 WeakPolarHBondContact CG-OE1 3.4Å; R73-E77 IonicContact CZ-OE1 3.97Å; R73-E77 IonicContact NE-OE1 2.73Å; R73-E77 PolarHBondContact NE-OE1 2.78Å; R73-E77 IonicContact NH2-OE1 2.96Å; R73-E77 WeakPolarHBondContact O-CG 3.32Å; R73-E77 PolarHBondContact O-N 3Å; R73-E83 IonicContact CZ-OE1 3.66Å; R73-E83 IonicContact NH2-OE1 3.33Å; R73-E83 PolarHBondContact NH2-OE1 2.88Å; R73-I86 HydrophobicContact CB-CG2 4.45Å; R73-I86 HydrophobicContact CG-CG2 3.8Å; R73-V90 HydrophobicContact CB-CG2 4.03Å
74D97.2Very high95.9Very high88 Ų8875.1 Ų75.147%0.47140%0.395SS..Hα-helixtrans-57.3-39.5-179.6-71-2.4000111.6L70 G78L70-D74 VanDerWaalsContact CD2-OD2 3.29Å; L70-D74 WeakPolarHBondContact CD2-OD2 3.26Å; L70-D74 PolarHBondContact O-N 3.27Å; D74-G78 PolarHBondContact O-N 2.73Å
75L96.9Very high96.1Very high96 Ų9677.7 Ų77.750%0.50341%0.407SS..Hα-helixtrans-64.8-43176.5-179142.7000112.1E71 L72 R73 G78 Q79E71-L75 WeakPolarHBondContact O-CB 3.35Å; E71-L75 PolarHBondContact O-N 3.27Å; L72-L75 PolarHBondContact O-N 3.29Å; R73-L75 PolarHBondContact O-N 3.21Å; L75-G78 PolarHBondContact O-N 3.04Å; L75-Q79 VanDerWaalsContact O-CG 3.29Å; L75-Q79 WeakPolarHBondContact O-CG 3.22Å; L75-Q79 PolarHBondContact O-N 3.08Å; L75-Q79 VanDerWaalsContact O-N 3.12Å
76M96.8Very high96.2Very high6 Ų677.9 Ų77.93%0.0341%0.408CS..Hα-helixtrans-72.2-37.7178.9-69.9-173.963.600112.7L72 R73 G78 Q79 G80 Y81 I86 K89L72-M76 HydrophobicContact CD1-CG 4.36Å; L72-M76 HydrophobicContact CD1-SD 4.42Å; L72-M76 HydrophobicContact CG-SD 4.43Å; L72-M76 WeakPolarHBondContact O-CG 3.48Å; L72-M76 PolarHBondContact O-N 2.91Å; R73-M76 PolarHBondContact O-N 3.21Å; M76-G78 VanDerWaalsContact C-N 3.34Å; M76-Q79 PolarHBondContact O-N 2.84Å; M76-G80 PolarHBondContact O-N 3.38Å; M76-G80 VanDerWaalsContact O-N 3.1Å; M76-Y81 HydrophobicContact CB-CD2 4.01Å; M76-Y81 HydrophobicContact CB-CG 4.48Å; M76-Y81 HydrophobicContact CE-CD1 4.11Å; M76-Y81 HydrophobicContact CE-CD2 4.08Å; M76-Y81 HydrophobicContact CE-CG 3.73Å; M76-Y81 HydrophobicContact CG-CD2 4.26Å; M76-Y81 WeakPolarHBondContact O-CD2 3.43Å; M76-Y81 PolarHBondContact O-N 3.33Å; M76-I86 HydrophobicContact CB-CD1 4.3Å; M76-I86 HydrophobicContact CB-CG1 3.82Å; M76-I86 HydrophobicContact CE-CB 4.3Å; M76-I86 HydrophobicContact CE-CG1 3.77Å; M76-I86 HydrophobicContact SD-CG1 4.43Å; M76-K89 HydrophobicContact CE-CB 4.26Å; M76-K89 HydrophobicContact CE-CD 3.56Å; M76-K89 HydrophobicContact CE-CG 4.28Å; M76-K89 HydrophobicContact SD-CB 3.86Å; M76-K89 HydrophobicContact SD-CD 3.86Å; M76-K89 HydrophobicContact SD-CG 4.42Å
77E95.7Very high96.2Very high86 Ų8679.9 Ų79.940%0.40242%0.418SS..Hα-helixtrans-61.4-44.5172.5-72.9-178.3-171.900110.7R73 Q79 G80 I86R73-E77 HydrophobicContact CG-CG 4.33Å; R73-E77 WeakPolarHBondContact CG-OE1 3.4Å; R73-E77 IonicContact CZ-OE1 3.97Å; R73-E77 IonicContact NE-OE1 2.73Å; R73-E77 PolarHBondContact NE-OE1 2.78Å; R73-E77 IonicContact NH2-OE1 2.96Å; R73-E77 WeakPolarHBondContact O-CG 3.32Å; R73-E77 PolarHBondContact O-N 3Å; E77-Q79 PolarHBondContact O-N 3.26Å; E77-G80 PolarHBondContact O-N 3.2Å; E77-I86 HydrophobicContact CG-CD1 3.79Å
78G96.4Very high96.3Very high72 Ų7283 Ų8374%0.74243%0.431SS*.Hα-helixtrans-63.8-25.1175.600000114.2D74 L75 M76D74-G78 PolarHBondContact O-N 2.73Å; L75-G78 PolarHBondContact O-N 3.04Å; M76-G78 VanDerWaalsContact C-N 3.34Å
79Q96.2Very high96.4Very high120 Ų12083.9 Ų83.956%0.56143%0.434SS*.Hα-helixtrans-86.9-10.1174.4-72.6174-16.300113.3L75 M76 E77 Y81L75-Q79 VanDerWaalsContact O-CG 3.29Å; L75-Q79 WeakPolarHBondContact O-CG 3.22Å; L75-Q79 PolarHBondContact O-N 3.08Å; L75-Q79 VanDerWaalsContact O-N 3.12Å; M76-Q79 PolarHBondContact O-N 2.84Å; E77-Q79 PolarHBondContact O-N 3.26Å; Q79-Y81 HydrophobicContact CB-CD2 3.76Å; Q79-Y81 HydrophobicContact CB-CE2 3.68Å; Q79-Y81 VanDerWaalsContact OE1-CE2 3.26Å
80G95Very high96.5Very high65 Ų6584.3 Ų84.367%0.6744%0.437SS*.THydrogen-bonded Turntrans79.729.5177.100000114.8M76 E77M76-G80 PolarHBondContact O-N 3.38Å; M76-G80 VanDerWaalsContact O-N 3.1Å; E77-G80 PolarHBondContact O-N 3.2Å
81Y96Very high96.5Very high99 Ų9982.3 Ų82.339%0.38843%0.429SS..  trans-67.2151.7171.2-75.9-85.9000111.4M76 Q79 E85 I86M76-Y81 HydrophobicContact CB-CD2 4.01Å; M76-Y81 HydrophobicContact CB-CG 4.48Å; M76-Y81 HydrophobicContact CE-CD1 4.11Å; M76-Y81 HydrophobicContact CE-CD2 4.08Å; M76-Y81 HydrophobicContact CE-CG 3.73Å; M76-Y81 HydrophobicContact CG-CD2 4.26Å; M76-Y81 WeakPolarHBondContact O-CD2 3.43Å; M76-Y81 PolarHBondContact O-N 3.33Å; Q79-Y81 HydrophobicContact CB-CD2 3.76Å; Q79-Y81 HydrophobicContact CB-CE2 3.68Å; Q79-Y81 VanDerWaalsContact OE1-CE2 3.26Å; Y81-E85 WeakPolarHBondContact CD1-OE2 3.41Å; Y81-I86 WeakPolarHBondContact O-CD1 3.26Å
82P96.5Very high96.5Very high65 Ų6581.7 Ų81.742%0.42243%0.429SS..  trans-68.7146.9173.329.8-34.2000111.1E84 E85 I86P82-E84 PolarHBondContact O-N 3.02Å; P82-E85 HydrophobicContact CG-CB 3.93Å; P82-E85 HydrophobicContact CG-CG 3.69Å; P82-E85 PolarHBondContact O-N 3.45Å; P82-E85 VanDerWaalsContact O-N 3.08Å; P82-I86 WeakPolarHBondContact O-CG1 3.09Å; P82-I86 PolarHBondContact O-N 3.15Å; P82-I86 VanDerWaalsContact O-N 3.13Å
83E95.4Very high96.5Very high103 Ų10383.1 Ų83.148%0.48143%0.432SS..Hα-helixtrans-55.2-37.3-176-169.267.8-170.200112.8R73 E85 I86 E87R73-E83 IonicContact CZ-OE1 3.66Å; R73-E83 IonicContact NH2-OE1 3.33Å; R73-E83 PolarHBondContact NH2-OE1 2.88Å; E83-E85 PolarHBondContact O-N 3.46Å; E83-I86 WeakPolarHBondContact O-CB 2.79Å; E83-I86 PolarHBondContact O-N 3.23Å; E83-E87 PolarHBondContact O-N 3.1Å
84E96Very high96.5Very high158 Ų15881.9 Ų81.974%0.73843%0.427SS*.Hα-helixtrans-60.7-45.9178.4-62.9178.2179.300111.7P82 I86 E87 E88P82-E84 PolarHBondContact O-N 3.02Å; E84-I86 VanDerWaalsContact C-N 3.33Å; E84-I86 PolarHBondContact O-N 3.44Å; E84-E87 PolarHBondContact O-N 3.2Å; E84-E88 WeakPolarHBondContact O-CG 3.47Å; E84-E88 PolarHBondContact O-N 3.27Å; E84-E88 VanDerWaalsContact O-N 3.1Å
85E95.8Very high96.5Very high81 Ų8184 Ų8438%0.37943%0.432SS..Hα-helixtrans-68.6-33.2177-74.2-174.5-146.900112.4Y81 P82 E83 K89Y81-E85 WeakPolarHBondContact CD1-OE2 3.41Å; P82-E85 HydrophobicContact CG-CB 3.93Å; P82-E85 HydrophobicContact CG-CG 3.69Å; P82-E85 PolarHBondContact O-N 3.45Å; P82-E85 VanDerWaalsContact O-N 3.08Å; E83-E85 PolarHBondContact O-N 3.46Å; E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 WeakPolarHBondContact O-CG 3.09Å; E85-K89 PolarHBondContact O-N 3.19Å; E85-K89 IonicContact OE2-NZ 2.78Å; E85-K89 PolarHBondContact OE2-NZ 3.36Å
86I96.2Very high96.5Very high4 Ų483.3 Ų83.32%0.02143%0.429CS..Hα-helixtrans-63.7-49.7176.7-65.1170.4000109.3R73 M76 E77 Y81 P82 E83 E84 E88 K89 V90R73-I86 HydrophobicContact CB-CG2 4.45Å; R73-I86 HydrophobicContact CG-CG2 3.8Å; M76-I86 HydrophobicContact CB-CD1 4.3Å; M76-I86 HydrophobicContact CB-CG1 3.82Å; M76-I86 HydrophobicContact CE-CB 4.3Å; M76-I86 HydrophobicContact CE-CG1 3.77Å; M76-I86 HydrophobicContact SD-CG1 4.43Å; E77-I86 HydrophobicContact CG-CD1 3.79Å; Y81-I86 WeakPolarHBondContact O-CD1 3.26Å; P82-I86 WeakPolarHBondContact O-CG1 3.09Å; P82-I86 PolarHBondContact O-N 3.15Å; P82-I86 VanDerWaalsContact O-N 3.13Å; E83-I86 WeakPolarHBondContact O-CB 2.79Å; E83-I86 PolarHBondContact O-N 3.23Å; E84-I86 VanDerWaalsContact C-N 3.33Å; E84-I86 PolarHBondContact O-N 3.44Å; I86-E88 PolarHBondContact O-N 3.27Å; I86-K89 PolarHBondContact O-N 3.49Å; I86-V90 HydrophobicContact CG2-CG2 4.17Å; I86-V90 VanDerWaalsContact O-CB 3.31Å; I86-V90 WeakPolarHBondContact O-CB 3.16Å; I86-V90 WeakPolarHBondContact O-CG2 3.22Å; I86-V90 PolarHBondContact O-N 3.01Å
87E97Very high96.4Very high130 Ų13083.1 Ų83.161%0.60743%0.428SS*.Hα-helixtrans-62.1-44.1-180-173.6169.9-163.800111.8E83 E84 V90 T91E83-E87 PolarHBondContact O-N 3.1Å; E84-E87 PolarHBondContact O-N 3.2Å; E87-V90 PolarHBondContact O-N 3.33Å; E87-T91 HydrophobicContact CG-CG2 4.25Å; E87-T91 WeakPolarHBondContact O-CB 3.39Å; E87-T91 WeakPolarHBondContact O-CG2 3.43Å; E87-T91 PolarHBondContact O-N 2.86Å; E87-T91 PolarHBondContact O-OG1 3.23Å
88E97.1Very high96.4Very high130 Ų13083 Ų8361%0.60743%0.429SS*.Hα-helixtrans-60.1-48.3176.1-74-176.4177.900112.1E84 I86 T91 L92E84-E88 WeakPolarHBondContact O-CG 3.47Å; E84-E88 PolarHBondContact O-N 3.27Å; E84-E88 VanDerWaalsContact O-N 3.1Å; I86-E88 PolarHBondContact O-N 3.27Å; E88-T91 PolarHBondContact O-N 3.1Å; E88-T91 PolarHBondContact O-OG1 3.37Å; E88-L92 WeakPolarHBondContact O-CB 3.49Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 2.93Å; E88-L92 PolarHBondContact O-N 3.38Å
89K96.7Very high96.4Very high84 Ų8485.3 Ų85.337%0.36542%0.421SS..Hα-helixtrans-68.6-40.5-179.1-70-174.3-153.3154.50111.9M76 E85 I86 L92 Y93M76-K89 HydrophobicContact CE-CB 4.26Å; M76-K89 HydrophobicContact CE-CD 3.56Å; M76-K89 HydrophobicContact CE-CG 4.28Å; M76-K89 HydrophobicContact SD-CB 3.86Å; M76-K89 HydrophobicContact SD-CD 3.86Å; M76-K89 HydrophobicContact SD-CG 4.42Å; E85-K89 WeakPolarHBondContact O-CB 3.47Å; E85-K89 WeakPolarHBondContact O-CG 3.09Å; E85-K89 PolarHBondContact O-N 3.19Å; E85-K89 IonicContact OE2-NZ 2.78Å; E85-K89 PolarHBondContact OE2-NZ 3.36Å; I86-K89 PolarHBondContact O-N 3.49Å; K89-L92 PolarHBondContact O-N 2.9Å; K89-Y93 VanDerWaalsContact O-CB 3.22Å; K89-Y93 WeakPolarHBondContact O-CB 3.48Å; K89-Y93 PolarHBondContact O-N 3.21Å
90V97.5Very high96.3Very high13 Ų1383.4 Ų83.48%0.07941%0.412CS..Hα-helixtrans-66.7-39.2178.1172.40000111.2C69 L72 R73 I86 E87 Y93 R94C69-V90 HydrophobicContact CB-CG1 4.11Å; L72-V90 HydrophobicContact CD2-CG2 4.28Å; L72-V90 HydrophobicContact CG-CG2 4.35Å; R73-V90 HydrophobicContact CB-CG2 4.03Å; I86-V90 HydrophobicContact CG2-CG2 4.17Å; I86-V90 VanDerWaalsContact O-CB 3.31Å; I86-V90 WeakPolarHBondContact O-CB 3.16Å; I86-V90 WeakPolarHBondContact O-CG2 3.22Å; I86-V90 PolarHBondContact O-N 3.01Å; E87-V90 PolarHBondContact O-N 3.33Å; V90-Y93 PolarHBondContact O-N 2.74Å; V90-R94 WeakPolarHBondContact O-CB 3.18Å; V90-R94 PolarHBondContact O-N 3.1Å
91T97.4Very high96.2Very high51 Ų5181.5 Ų81.531%0.31339%0.386SS..Hα-helixtrans-68-40.8177.455.10000112.4E87 E88 R94 K95E87-T91 HydrophobicContact CG-CG2 4.25Å; E87-T91 WeakPolarHBondContact O-CB 3.39Å; E87-T91 WeakPolarHBondContact O-CG2 3.43Å; E87-T91 PolarHBondContact O-N 2.86Å; E87-T91 PolarHBondContact O-OG1 3.23Å; E88-T91 PolarHBondContact O-N 3.1Å; E88-T91 PolarHBondContact O-OG1 3.37Å; T91-R94 PolarHBondContact O-N 3.09Å; T91-K95 PolarHBondContact O-N 2.87Å
92L97.2Very high96Very high113 Ų11380.8 Ų80.859%0.59240%0.401SS*.Hα-helixtrans-62.7-45.3172.1-71174.8000111.4E88 K89 R94 K95 L96E88-L92 WeakPolarHBondContact O-CB 3.49Å; E88-L92 VanDerWaalsContact O-CG 3.3Å; E88-L92 WeakPolarHBondContact O-CG 2.93Å; E88-L92 PolarHBondContact O-N 3.38Å; K89-L92 PolarHBondContact O-N 2.9Å; L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 3.21Å; L92-K95 PolarHBondContact O-N 2.97Å; L92-L96 PolarHBondContact O-N 3.33Å
93Y97Very high95.8Very high75 Ų7584.6 Ų84.629%0.29441%0.413SS..Hα-helixtrans-63.3-39.4178.5-171.9-121.7000112.2K68 L72 K89 V90 K95 L96 L97K68-Y93 HydrophobicContact CB-CE1 3.96Å; L72-Y93 HydrophobicContact CB-CD1 4.21Å; L72-Y93 HydrophobicContact CB-CE1 4.34Å; L72-Y93 HydrophobicContact CD2-CD1 3.53Å; L72-Y93 HydrophobicContact CD2-CD2 4.4Å; L72-Y93 HydrophobicContact CD2-CE1 4.27Å; L72-Y93 HydrophobicContact CD2-CG 3.6Å; K89-Y93 VanDerWaalsContact O-CB 3.22Å; K89-Y93 WeakPolarHBondContact O-CB 3.48Å; K89-Y93 PolarHBondContact O-N 3.21Å; V90-Y93 PolarHBondContact O-N 2.74Å; Y93-K95 PolarHBondContact O-N 3.27Å; Y93-L96 HydrophobicContact CD2-CD2 4.33Å; Y93-L96 PolarHBondContact O-N 2.95Å; Y93-L97 HydrophobicContact CD1-CD1 3.84Å; Y93-L97 HydrophobicContact CD1-CG 4.39Å; Y93-L97 HydrophobicContact CD2-CG 4.49Å; Y93-L97 HydrophobicContact CE1-CD1 3.45Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.45Å; Y93-L97 HydrophobicContact CE1-CG 4.12Å; Y93-L97 HydrophobicContact CE2-CD1 4.42Å; Y93-L97 HydrophobicContact CE2-CD2 4.26Å; Y93-L97 HydrophobicContact CE2-CG 4.2Å; Y93-L97 HydrophobicContact CG-CD1 4.48Å; Y93-L97 WeakPolarHBondContact O-CG 3.44Å; Y93-L97 PolarHBondContact O-N 3.5Å
94R97.1Very high95.5Very high80 Ų8083.8 Ų83.830%0.30241%0.412SS..Hα-helixtrans-58.7-45.3173.7-172.7-176.7-71112.11111.6E66 V90 T91 L92 L97 L98E66-R94 IonicContact OE1-NE 3.43Å; E66-R94 PolarHBondContact OE1-NE 2.84Å; E66-R94 IonicContact OE2-CZ 3.04Å; E66-R94 IonicContact OE2-NE 3.55Å; E66-R94 PolarHBondContact OE2-NE 2.76Å; E66-R94 IonicContact OE2-NH2 3.46Å; E66-R94 PolarHBondContact OE2-NH2 3.34Å; V90-R94 WeakPolarHBondContact O-CB 3.18Å; V90-R94 PolarHBondContact O-N 3.1Å; T91-R94 PolarHBondContact O-N 3.09Å; L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 3.21Å; R94-L97 PolarHBondContact O-N 3.15Å; R94-L98 HydrophobicContact CG-CD1 4.2Å; R94-L98 VanDerWaalsContact O-CG 3.3Å; R94-L98 WeakPolarHBondContact O-CG 3.33Å; R94-L98 PolarHBondContact O-N 2.73Å
95K97.2Very high95.1Very high134 Ų13478.8 Ų78.858%0.58339%0.393SS*.Hα-helixtrans-61-47.3177.1-70.9177.9-177.5176.40111.5T91 L92 Y93 L97 L98 E99T91-K95 PolarHBondContact O-N 2.87Å; L92-K95 PolarHBondContact O-N 2.97Å; Y93-K95 PolarHBondContact O-N 3.27Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.47Å; K95-L98 PolarHBondContact O-N 3.46Å; K95-E99 WeakPolarHBondContact O-CG 3.46Å; K95-E99 PolarHBondContact O-N 2.94Å
96L96.3Very high94.3Very high81 Ų8177.6 Ų77.642%0.42440%0.397SS..Hα-helixtrans-57.2-46.2177-178.372.5000111.9L92 Y93 L98 E99 Q100L92-L96 PolarHBondContact O-N 3.33Å; Y93-L96 HydrophobicContact CD2-CD2 4.33Å; Y93-L96 PolarHBondContact O-N 2.95Å; L96-L98 VanDerWaalsContact C-N 3.35Å; L96-L98 PolarHBondContact O-N 2.8Å; L96-E99 PolarHBondContact O-N 3.44Å; L96-Q100 WeakPolarHBondContact O-CG 3.34Å; L96-Q100 PolarHBondContact O-N 2.81Å
97L95.7Very high93.6Very high2 Ų283 Ų831%0.0143%0.426CS..Hα-helixtrans-67.7-34179.6-71.6-179.7000112.7V65 K68 Y93 R94 K95 L101 F108V65-L97 HydrophobicContact CG1-CB 3.76Å; V65-L97 HydrophobicContact CG1-CD1 4.14Å; V65-L97 HydrophobicContact CG2-CB 4.29Å; K68-L97 HydrophobicContact CB-CD1 3.62Å; K68-L97 HydrophobicContact CD-CD1 3.95Å; K68-L97 HydrophobicContact CD-CD2 3.92Å; K68-L97 HydrophobicContact CG-CD1 4.44Å; Y93-L97 HydrophobicContact CD1-CD1 3.84Å; Y93-L97 HydrophobicContact CD1-CG 4.39Å; Y93-L97 HydrophobicContact CD2-CG 4.49Å; Y93-L97 HydrophobicContact CE1-CD1 3.45Å; Y93-L97 VanDerWaalsContact CE1-CD1 3.45Å; Y93-L97 HydrophobicContact CE1-CG 4.12Å; Y93-L97 HydrophobicContact CE2-CD1 4.42Å; Y93-L97 HydrophobicContact CE2-CD2 4.26Å; Y93-L97 HydrophobicContact CE2-CG 4.2Å; Y93-L97 HydrophobicContact CG-CD1 4.48Å; Y93-L97 WeakPolarHBondContact O-CG 3.44Å; Y93-L97 PolarHBondContact O-N 3.5Å; R94-L97 PolarHBondContact O-N 3.15Å; K95-L97 VanDerWaalsContact C-N 3.34Å; K95-L97 PolarHBondContact O-N 3.47Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 PolarHBondContact O-N 2.83Å; L97-F108 HydrophobicContact CB-CE1 4.45Å; L97-F108 HydrophobicContact CB-CZ 4.33Å; L97-F108 HydrophobicContact CD2-CE1 4.08Å; L97-F108 HydrophobicContact CD2-CZ 3.98Å; L97-F108 WeakPolarHBondContact O-CZ 3.31Å
98L95.3Very high93Very high83 Ų8377 Ų7744%0.43540%0.398SS..Hα-helixtrans-68.8-38174.7-73173.8000112V65 R94 K95 L96 L101 A102V65-L98 HydrophobicContact CG1-CD2 4.29Å; V65-L98 HydrophobicContact CG1-CG 4.4Å; R94-L98 HydrophobicContact CG-CD1 4.2Å; R94-L98 VanDerWaalsContact O-CG 3.3Å; R94-L98 WeakPolarHBondContact O-CG 3.33Å; R94-L98 PolarHBondContact O-N 2.73Å; K95-L98 PolarHBondContact O-N 3.46Å; L96-L98 VanDerWaalsContact C-N 3.35Å; L96-L98 PolarHBondContact O-N 2.8Å; L98-L101 PolarHBondContact O-N 3.37Å; L98-A102 PolarHBondContact O-N 3.25Å
99E95.6Very high91.9Very high120 Ų12071.1 Ų71.156%0.56137%0.371SS*.Hα-helixtrans-63.3-47.4172.4-71.6170.6-173.900110.8K95 L96 L101 A102 E103K95-E99 WeakPolarHBondContact O-CG 3.46Å; K95-E99 PolarHBondContact O-N 2.94Å; L96-E99 PolarHBondContact O-N 3.44Å; E99-L101 VanDerWaalsContact C-N 3.28Å; E99-L101 PolarHBondContact O-N 2.88Å; E99-A102 WeakPolarHBondContact O-CB 3.48Å; E99-A102 PolarHBondContact O-N 2.85Å; E99-A102 VanDerWaalsContact O-N 3.09Å; E99-E103 PolarHBondContact O-N 3.45Å
100Q94.1Very high90.8Very high81 Ų8168.8 Ų68.838%0.37936%0.362SS..Hα-helixtrans-60-37.8174.4-73178.4-7.300112.6L96 A102 E103 N104 F108L96-Q100 WeakPolarHBondContact O-CG 3.34Å; L96-Q100 PolarHBondContact O-N 2.81Å; Q100-A102 VanDerWaalsContact C-N 3.29Å; Q100-A102 PolarHBondContact O-N 3.33Å; Q100-E103 PolarHBondContact O-N 3.44Å; Q100-N104 PolarHBondContact O-N 3.32Å; Q100-F108 HydrophobicContact CB-CE2 3.99Å; Q100-F108 HydrophobicContact CB-CZ 4.11Å
101L93Very high89.7Confident24 Ų2473.1 Ų73.113%0.12638%0.382CS..Hα-helixtrans-65.8-35176.9177.264.4000111.7R61 V65 L97 L98 E99 P105 F108R61-L101 HydrophobicContact CB-CD1 3.74Å; R61-L101 HydrophobicContact CB-CD2 4.36Å; R61-L101 HydrophobicContact CG-CD1 4.09Å; V65-L101 HydrophobicContact CG2-CB 4.46Å; V65-L101 HydrophobicContact CG2-CD2 4.04Å; L97-L101 VanDerWaalsContact O-CB 3.28Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 PolarHBondContact O-N 2.83Å; L98-L101 PolarHBondContact O-N 3.37Å; E99-L101 VanDerWaalsContact C-N 3.28Å; E99-L101 PolarHBondContact O-N 2.88Å; L101-P105 HydrophobicContact CD1-CB 4.42Å; L101-F108 HydrophobicContact CB-CD2 4.07Å; L101-F108 HydrophobicContact CB-CE2 3.87Å; L101-F108 HydrophobicContact CB-CZ 4.33Å; L101-F108 HydrophobicContact CD1-CB 3.95Å; L101-F108 HydrophobicContact CD1-CD2 3.64Å; L101-F108 HydrophobicContact CD1-CE2 4.33Å; L101-F108 HydrophobicContact CD1-CG 3.86Å; L101-F108 HydrophobicContact CG-CD2 4.48Å
102A92.6Very high88.8Confident85 Ų8577.9 Ų77.970%0.70240%0.395SS*.Hα-helixtrans-70.8-36.8176.800000112.1L98 E99 Q100L98-A102 PolarHBondContact O-N 3.25Å; E99-A102 WeakPolarHBondContact O-CB 3.48Å; E99-A102 PolarHBondContact O-N 2.85Å; E99-A102 VanDerWaalsContact O-N 3.09Å; Q100-A102 VanDerWaalsContact C-N 3.29Å; Q100-A102 PolarHBondContact O-N 3.33Å
103E92.8Very high88Confident145 Ų14575.2 Ų75.268%0.67838%0.381SS*.Hα-helixtrans-75.4-49.2177.2-67.9-179.417600112.5E99 Q100E99-E103 PolarHBondContact O-N 3.45Å; Q100-E103 PolarHBondContact O-N 3.44Å
104N89Confident87.3Confident86 Ų8677 Ų7746%0.4641%0.405SS..  trans-13580.6-171.9-67.3-58.2000111.5Q100 A106 D107Q100-N104 PolarHBondContact O-N 3.32Å; N104-A106 PolarHBondContact O-N 2.79Å; N104-A106 VanDerWaalsContact O-N 3.15Å; N104-D107 PolarHBondContact O-N 3.5Å
105P85.8Confident86.7Confident52 Ų5280.6 Ų80.634%0.33842%0.422SS..THydrogen-bonded Turntrans-65.1-19.8-179.825.2-34.4000113.9L101 V109L101-P105 HydrophobicContact CD1-CB 4.42Å; P105-V109 WeakPolarHBondContact O-CG2 3.39Å
106A80.7Confident85.9Confident56 Ų5676.8 Ų76.846%0.46342%0.421SS..THydrogen-bonded Turntrans-68.1-32.3-179.100000113.2N104 F108 V109 I110N104-A106 PolarHBondContact O-N 2.79Å; N104-A106 VanDerWaalsContact O-N 3.15Å; A106-F108 PolarHBondContact O-N 3.42Å; A106-V109 PolarHBondContact O-N 2.92Å; A106-I110 PolarHBondContact O-N 3.18Å
107D81.6Confident85Confident117 Ų11779.8 Ų79.863%0.62643%0.427SS*.THydrogen-bonded Turntrans-67.6-25.1-177.4-68.7-6.9000112.1N104 V109N104-D107 PolarHBondContact O-N 3.5Å; D107-V109 VanDerWaalsContact C-N 3.33Å
108F83Confident84Confident4 Ų481.2 Ų81.22%0.01844%0.439CS..THydrogen-bonded Turntrans-90.38.6175.7-65.8-92.5000112.8R61 K64 V65 K68 L97 Q100 L101 A106R61-F108 HydrophobicContact CG-CB 4.4Å; K64-F108 HydrophobicContact CB-CD1 4.36Å; K64-F108 WeakPolarHBondContact CD-O 3.34Å; V65-F108 HydrophobicContact CG2-CD1 3.85Å; V65-F108 HydrophobicContact CG2-CE1 3.59Å; V65-F108 HydrophobicContact CG2-CZ 4.26Å; K68-F108 HydrophobicContact CD-CE1 4.29Å; L97-F108 HydrophobicContact CB-CE1 4.45Å; L97-F108 HydrophobicContact CB-CZ 4.33Å; L97-F108 HydrophobicContact CD2-CE1 4.08Å; L97-F108 HydrophobicContact CD2-CZ 3.98Å; L97-F108 WeakPolarHBondContact O-CZ 3.31Å; Q100-F108 HydrophobicContact CB-CE2 3.99Å; Q100-F108 HydrophobicContact CB-CZ 4.11Å; L101-F108 HydrophobicContact CB-CD2 4.07Å; L101-F108 HydrophobicContact CB-CE2 3.87Å; L101-F108 HydrophobicContact CB-CZ 4.33Å; L101-F108 HydrophobicContact CD1-CB 3.95Å; L101-F108 HydrophobicContact CD1-CD2 3.64Å; L101-F108 HydrophobicContact CD1-CE2 4.33Å; L101-F108 HydrophobicContact CD1-CG 3.86Å; L101-F108 HydrophobicContact CG-CD2 4.48Å; A106-F108 PolarHBondContact O-N 3.42Å
109V74.7Confident83.1Confident8 Ų880.7 Ų80.75%0.04844%0.439CS..THydrogen-bonded Turntrans-112.2-44.6-179171.20000111.1R61 K64 P105 A106 D107 H125R61-V109 HydrophobicContact CG-CG2 3.82Å; K64-V109 PolarHBondContact NZ-O 3.05Å; P105-V109 WeakPolarHBondContact O-CG2 3.39Å; A106-V109 PolarHBondContact O-N 2.92Å; D107-V109 VanDerWaalsContact C-N 3.33Å; V109-H125 HydrophobicContact CG1-CB 4.18Å; V109-H125 WeakPolarHBondContact CG1-CD2 3.39Å
110I72.4Confident81.9Confident34 Ų3477.6 Ų77.617%0.17442%0.423CS..  trans-100112.6-166.2-48.5177000110.4A106 Y112 A118 Y120 L129A106-I110 PolarHBondContact O-N 3.18Å; I110-Y112 HydrophobicContact CB-CE2 3.92Å; I110-Y112 HydrophobicContact CG2-CD1 4.28Å; I110-Y112 HydrophobicContact CG2-CD2 4.03Å; I110-Y112 HydrophobicContact CG2-CE1 3.8Å; I110-Y112 HydrophobicContact CG2-CE2 3.51Å; I110-Y112 HydrophobicContact CG2-CG 4.4Å; I110-A118 HydrophobicContact CG2-CB 3.49Å; I110-A118 VanDerWaalsContact CG2-CB 3.49Å; I110-Y120 HydrophobicContact CG2-CE1 4.27Å; I110-L129 HydrophobicContact CD1-CD1 4.06Å; I110-L129 HydrophobicContact CD1-CD2 4.17Å; I110-L129 HydrophobicContact CG1-CD1 4.09Å
111E75.7Confident80.7Confident105 Ų10578.4 Ų78.449%0.49144%0.444SS..EExtended strand (participates in β ladder)trans-88.7139163.1-77.2160.4-138.400108.5K64 A118 V119K64-E111 WeakPolarHBondContact CE-OE1 3.15Å; K64-E111 IonicContact NZ-OE1 2.74Å; K64-E111 PolarHBondContact NZ-OE1 2.79Å; E111-A118 CarbonylContact O-C 3.49Å; E111-A118 WeakPolarHBondContact O-CA 3.38Å; E111-V119 PolarHBondContact O-N 3.37Å
112Y77.5Confident80.1Confident151 Ų15179.4 Ų79.459%0.59245%0.449SS*.EExtended strand (participates in β ladder)trans-109127.5176.1-65.3-89000109I110 R117 A118I110-Y112 HydrophobicContact CB-CE2 3.92Å; I110-Y112 HydrophobicContact CG2-CD1 4.28Å; I110-Y112 HydrophobicContact CG2-CD2 4.03Å; I110-Y112 HydrophobicContact CG2-CE1 3.8Å; I110-Y112 HydrophobicContact CG2-CE2 3.51Å; I110-Y112 HydrophobicContact CG2-CG 4.4Å; Y112-R117 WeakPolarHBondContact CA-O 3.29Å; Y112-A118 HydrophobicContact CD1-CB 4.28Å; Y112-A118 HydrophobicContact CE1-CB 4.11Å
113D81.1Confident79.7Confident56 Ų5677.4 Ų77.430%0.29944%0.437SS..  trans-59.8161.4168.8-176.612.9000109.6K115 G116 R117 V119D113-K115 PolarHBondContact O-N 2.98Å; D113-G116 WeakPolarHBondContact O-CA 3.14Å; D113-G116 PolarHBondContact O-N 3.03Å; D113-R117 HydrophobicContact CB-CB 4.46Å; D113-R117 PolarHBondContact N-O 3.33Å; D113-R117 IonicContact OD2-CZ 3.83Å; D113-R117 IonicContact OD2-NE 3.83Å; D113-R117 IonicContact OD2-NH2 3.08Å; D113-R117 PolarHBondContact OD2-NH2 2.9Å; D113-V119 HydrophobicContact CB-CG2 3.71Å
114S83.1Confident79.5Confident114 Ų11472.1 Ų72.180%0.79741%0.412SS*.THydrogen-bonded Turntrans-43.6-25.2168.558.40000114.7
115K84.2Confident79.2Confident154 Ų15468.1 Ų68.167%0.6739%0.391SS*.THydrogen-bonded Turntrans-93.610.3177.5-57-171.6-175178.30114.3D113 R117D113-K115 PolarHBondContact O-N 2.98Å; K115-R117 HydrophobicContact CB-CG 4.49Å; K115-R117 PolarHBondContact O-N 2.9Å
116G79.2Confident79.2Confident54 Ų5471.2 Ų71.256%0.55740%0.399SS*.SBendtrans6915.6-176.600000114.3D113D113-G116 WeakPolarHBondContact O-CA 3.14Å; D113-G116 PolarHBondContact O-N 3.03Å
117R78.3Confident79.5Confident144 Ų14470.5 Ų70.554%0.54339%0.389SS..PPolyproline II helixtrans-89127.2177.9-67.3179.9-64.7169.27.4108.9Y112 D113 K115 V119Y112-R117 WeakPolarHBondContact CA-O 3.29Å; D113-R117 HydrophobicContact CB-CB 4.46Å; D113-R117 PolarHBondContact N-O 3.33Å; D113-R117 IonicContact OD2-CZ 3.83Å; D113-R117 IonicContact OD2-NE 3.83Å; D113-R117 IonicContact OD2-NH2 3.08Å; D113-R117 PolarHBondContact OD2-NH2 2.9Å; K115-R117 HydrophobicContact CB-CG 4.49Å; K115-R117 PolarHBondContact O-N 2.9Å; R117-V119 PolarHBondContact O-N 3.07Å; R117-V119 VanDerWaalsContact O-N 3.15Å
118A74.1Confident79.7Confident33 Ų3367.8 Ų67.827%0.27337%0.372SS..EExtended strand (participates in β ladder)trans-60.6116.817300000110.3I110 E111 Y112 Y120I110-A118 HydrophobicContact CG2-CB 3.49Å; I110-A118 VanDerWaalsContact CG2-CB 3.49Å; E111-A118 CarbonylContact O-C 3.49Å; E111-A118 WeakPolarHBondContact O-CA 3.38Å; Y112-A118 HydrophobicContact CD1-CB 4.28Å; Y112-A118 HydrophobicContact CE1-CB 4.11Å; A118-Y120 HydrophobicContact CB-CE1 3.71Å; A118-Y120 HydrophobicContact CB-CE2 3.93Å; A118-Y120 WeakPolarHBondContact CB-OH 3.21Å
119V76.9Confident79.8Confident71 Ų7168.5 Ų68.543%0.4338%0.376SS..EExtended strand (participates in β ladder)trans-93.7127.1171.9-176.70000107E111 D113 R117E111-V119 PolarHBondContact O-N 3.37Å; D113-V119 HydrophobicContact CB-CG2 3.71Å; R117-V119 PolarHBondContact O-N 3.07Å; R117-V119 VanDerWaalsContact O-N 3.15Å
120Y70.5Confident80.4Confident55 Ų5571.9 Ų71.922%0.21639%0.392CS..  trans-113.9123.3178.7-51.8-65.6000108.1I110 A118 H125 K126 L129I110-Y120 HydrophobicContact CG2-CE1 4.27Å; A118-Y120 HydrophobicContact CB-CE1 3.71Å; A118-Y120 HydrophobicContact CB-CE2 3.93Å; A118-Y120 WeakPolarHBondContact CB-OH 3.21Å; Y120-H125 HydrophobicContact CD1-CB 4.49Å; Y120-K126 HydrophobicContact CD2-CB 4.41Å; Y120-K126 HydrophobicContact CD2-CG 4.49Å; Y120-K126 HydrophobicContact CG-CB 4.48Å; Y120-L129 HydrophobicContact CD1-CD1 4Å; Y120-L129 HydrophobicContact CE1-CD1 3.14Å; Y120-L129 HydrophobicContact CE1-CG 4.36Å; Y120-L129 WeakPolarHBondContact OH-CD1 3.3Å
121A69.1Low81.1Confident99 Ų9973.7 Ų73.782%0.81840%0.402SS*.SBendtrans-72.5-37172.400000111.1
122D80.3Confident81.8Confident44 Ų4474.5 Ų74.524%0.23541%0.406CS..SBendtrans-117.9150.2-170.9-173.941.3000114.9E60 H124 K126E60-D122 WeakPolarHBondContact OE1-CB 3.31Å; E60-D122 WeakPolarHBondContact OE2-CB 3.25Å; D122-H124 VanDerWaalsContact C-N 3.34Å; D122-H124 PolarHBondContact O-N 3.3Å; D122-H124 VanDerWaalsContact OD2-CB 3.26Å; D122-H124 WeakPolarHBondContact OD2-CB 3.47Å; D122-H124 IonicContact OD2-CD2 3.45Å; D122-H124 PolarHBondContact OD2-CD2 3.47Å; D122-H124 IonicContact OD2-CG 3.52Å; D122-H124 PolarHBondContact OD2-N 2.88Å; D122-K126 PolarHBondContact O-N 3.3Å
123G84.6Confident82.3Confident43 Ų4371.2 Ų71.244%0.44340%0.395SS..Hα-helixtrans-65.3-33178.800000113.1K126 T127G123-K126 PolarHBondContact O-N 3.38Å; G123-T127 PolarHBondContact O-N 2.69Å; G123-T127 PolarHBondContact O-OG1 3.01Å; G123-T127 VanDerWaalsContact O-OG1 3.1Å
124H87.2Confident82.7Confident34 Ų3473 Ų7316%0.15740%0.404CS..Hα-helixtrans-70.4-40.7-179.4-69-76000112P52 N53 I56 L57 D122 T127 E128P52-H124 HydrophobicContact CB-CB 4.47Å; N53-H124 PolarHBondContact N-ND1 3.07Å; I56-H124 WeakPolarHBondContact CD1-NE2 3.37Å; I56-H124 HydrophobicContact CG2-CB 4.42Å; L57-H124 HydrophobicContact CD2-CB 4.08Å; D122-H124 VanDerWaalsContact C-N 3.34Å; D122-H124 PolarHBondContact O-N 3.3Å; D122-H124 VanDerWaalsContact OD2-CB 3.26Å; D122-H124 WeakPolarHBondContact OD2-CB 3.47Å; D122-H124 IonicContact OD2-CD2 3.45Å; D122-H124 PolarHBondContact OD2-CD2 3.47Å; D122-H124 IonicContact OD2-CG 3.52Å; D122-H124 PolarHBondContact OD2-N 2.88Å; H124-T127 PolarHBondContact O-N 3.29Å; H124-E128 PolarHBondContact O-N 3.34Å
125H84.2Confident83Confident3 Ų369.6 Ų69.61%0.01438%0.383CS..Hα-helixtrans-61.2-43.7172.8-73.9137.1000112.7L57 E60 V109 Y120 T127 E128 L129L57-H125 WeakPolarHBondContact CD2-CD2 3.3Å; L57-H125 WeakPolarHBondContact CD2-NE2 3.44Å; E60-H125 VanDerWaalsContact CB-CE1 3.41Å; E60-H125 WeakPolarHBondContact CB-CE1 3.43Å; E60-H125 VanDerWaalsContact CD-CE1 3.41Å; E60-H125 IonicContact OE2-CE1 2.71Å; E60-H125 PolarHBondContact OE2-CE1 2.92Å; E60-H125 IonicContact OE2-ND1 3.32Å; E60-H125 PolarHBondContact OE2-ND1 3.33Å; V109-H125 HydrophobicContact CG1-CB 4.18Å; V109-H125 WeakPolarHBondContact CG1-CD2 3.39Å; Y120-H125 HydrophobicContact CD1-CB 4.49Å; H125-T127 VanDerWaalsContact C-N 3.28Å; H125-T127 PolarHBondContact O-N 3.35Å; H125-E128 PolarHBondContact O-N 3.07Å; H125-L129 PolarHBondContact O-N 2.81Å; H125-L129 VanDerWaalsContact O-N 3.1Å
126K85.1Confident83.5Confident117 Ų11769.9 Ų69.951%0.50938%0.38SS..Hα-helixtrans-58.3-43.9174.3-176.8177.6178.4179.50110.8Y120 D122 G123 M130Y120-K126 HydrophobicContact CD2-CB 4.41Å; Y120-K126 HydrophobicContact CD2-CG 4.49Å; Y120-K126 HydrophobicContact CG-CB 4.48Å; D122-K126 PolarHBondContact O-N 3.3Å; G123-K126 PolarHBondContact O-N 3.38Å; K126-M130 HydrophobicContact CG-CG 4.45Å; K126-M130 WeakPolarHBondContact O-CB 3.46Å; K126-M130 WeakPolarHBondContact O-CG 3.37Å; K126-M130 PolarHBondContact O-N 3.48Å
127T86.1Confident84.1Confident41 Ų4171.9 Ų71.925%0.25238%0.378SS..Hα-helixtrans-66.7-43178.4-65.20000112.8K50 G123 H124 H125 L129 M130 N131K50-T127 WeakPolarHBondContact O-CG2 3.37Å; G123-T127 PolarHBondContact O-N 2.69Å; G123-T127 PolarHBondContact O-OG1 3.01Å; G123-T127 VanDerWaalsContact O-OG1 3.1Å; H124-T127 PolarHBondContact O-N 3.29Å; H125-T127 VanDerWaalsContact C-N 3.28Å; H125-T127 PolarHBondContact O-N 3.35Å; T127-L129 PolarHBondContact O-N 3.22Å; T127-M130 PolarHBondContact O-N 2.98Å; T127-N131 WeakPolarHBondContact O-CB 3.37Å; T127-N131 PolarHBondContact O-N 3.09Å; T127-N131 PolarHBondContact O-ND2 3.15Å
128E87.2Confident84.7Confident59 Ų5968.3 Ų68.328%0.27636%0.364SS..Hα-helixtrans-56.6-49.6176.9-174.9-179.2-151.600111P52 L57 R61 H124 H125 M130 N131 E132P52-E128 HydrophobicContact CB-CB 4.21Å; P52-E128 HydrophobicContact CG-CB 4.22Å; L57-E128 HydrophobicContact CD1-CB 4.45Å; L57-E128 HydrophobicContact CD1-CG 4.35Å; R61-E128 IonicContact NH2-OE1 3.6Å; R61-E128 PolarHBondContact NH2-OE1 3.07Å; R61-E128 IonicContact NH2-OE2 3.81Å; H124-E128 PolarHBondContact O-N 3.34Å; H125-E128 PolarHBondContact O-N 3.07Å; E128-M130 PolarHBondContact O-N 3.21Å; E128-N131 WeakPolarHBondContact O-CB 3.5Å; E128-N131 PolarHBondContact O-N 3.45Å; E128-E132 PolarHBondContact O-N 3.41Å
129L85.3Confident85.6Confident20 Ų2075.1 Ų75.111%0.10538%0.383CS..Hα-helixtrans-67.1-36.4176.9-94.6136.6000113.9I110 Y120 H125 T127 N131 E132 K133I110-L129 HydrophobicContact CD1-CD1 4.06Å; I110-L129 HydrophobicContact CD1-CD2 4.17Å; I110-L129 HydrophobicContact CG1-CD1 4.09Å; Y120-L129 HydrophobicContact CD1-CD1 4Å; Y120-L129 HydrophobicContact CE1-CD1 3.14Å; Y120-L129 HydrophobicContact CE1-CG 4.36Å; Y120-L129 WeakPolarHBondContact OH-CD1 3.3Å; H125-L129 PolarHBondContact O-N 2.81Å; H125-L129 VanDerWaalsContact O-N 3.1Å; T127-L129 PolarHBondContact O-N 3.22Å; L129-N131 VanDerWaalsContact C-N 3.31Å; L129-E132 PolarHBondContact O-N 3.38Å; L129-K133 VanDerWaalsContact O-CB 3.31Å; L129-K133 WeakPolarHBondContact O-CB 3.49Å; L129-K133 VanDerWaalsContact O-CG 3.25Å; L129-K133 WeakPolarHBondContact O-CG 3.47Å; L129-K133 PolarHBondContact O-N 3.13Å
130M86.8Confident86.5Confident78 Ų7875.4 Ų75.438%0.38439%0.393SS..Hα-helixtrans-65.9-38.7173.6-71.5-60.9171.900110.8K126 T127 E128 K133 N134K126-M130 HydrophobicContact CG-CG 4.45Å; K126-M130 WeakPolarHBondContact O-CB 3.46Å; K126-M130 WeakPolarHBondContact O-CG 3.37Å; K126-M130 PolarHBondContact O-N 3.48Å; T127-M130 PolarHBondContact O-N 2.98Å; E128-M130 PolarHBondContact O-N 3.21Å; M130-K133 PolarHBondContact O-N 3Å; M130-K133 HydrophobicContact SD-CD 4.35Å; M130-N134 WeakPolarHBondContact O-CB 3.38Å; M130-N134 PolarHBondContact O-N 3.47Å; M130-N134 PolarHBondContact O-ND2 3.26Å; M130-N134 PolarHBondContact O-OD1 3.44Å
131N87.8Confident87.7Confident72 Ų7278.6 Ų78.639%0.38541%0.413SS..Hα-helixtrans-64.6-42.9174.8-71.7-14.2000111.6T127 E128 L129 N134 A135T127-N131 WeakPolarHBondContact O-CB 3.37Å; T127-N131 PolarHBondContact O-N 3.09Å; T127-N131 PolarHBondContact O-ND2 3.15Å; E128-N131 WeakPolarHBondContact O-CB 3.5Å; E128-N131 PolarHBondContact O-N 3.45Å; L129-N131 VanDerWaalsContact C-N 3.31Å; N131-N134 PolarHBondContact O-N 3.05Å; N131-A135 VanDerWaalsContact O-CB 3.29Å; N131-A135 WeakPolarHBondContact O-CB 3.26Å; N131-A135 PolarHBondContact O-N 3.04Å
132E88.6Confident88.8Confident123 Ų12383.1 Ų83.158%0.57541%0.414SS*.Hα-helixtrans-64.2-45.3175.9-165.8-166.1166.900111.7E128 L129 N134 A135 R136E128-E132 PolarHBondContact O-N 3.41Å; L129-E132 PolarHBondContact O-N 3.38Å; E132-N134 PolarHBondContact O-N 3.12Å; E132-A135 PolarHBondContact O-N 3.41Å; E132-R136 WeakPolarHBondContact O-CB 3.47Å; E132-R136 PolarHBondContact O-N 3.3Å
133K89.1Confident89.3Confident82 Ų8284 Ų8436%0.35742%0.418SS..Hα-helixtrans-59.1-45.5173.8-77.7173.2179170.70111.5L129 M130 R136 L137L129-K133 VanDerWaalsContact O-CB 3.31Å; L129-K133 WeakPolarHBondContact O-CB 3.49Å; L129-K133 VanDerWaalsContact O-CG 3.25Å; L129-K133 WeakPolarHBondContact O-CG 3.47Å; L129-K133 PolarHBondContact O-N 3.13Å; M130-K133 PolarHBondContact O-N 3Å; M130-K133 HydrophobicContact SD-CD 4.35Å; K133-R136 PolarHBondContact O-N 2.82Å; K133-L137 WeakPolarHBondContact O-CG 3.24Å; K133-L137 PolarHBondContact O-N 2.81Å
134N89.1Confident89.6Confident93 Ų9385.2 Ų85.250%0.49742%0.42SS..Hα-helixtrans-64.2-40.7177.1-72.2-13000111.3M130 N131 E132 L137 R138M130-N134 WeakPolarHBondContact O-CB 3.38Å; M130-N134 PolarHBondContact O-N 3.47Å; M130-N134 PolarHBondContact O-ND2 3.26Å; M130-N134 PolarHBondContact O-OD1 3.44Å; N131-N134 PolarHBondContact O-N 3.05Å; E132-N134 PolarHBondContact O-N 3.12Å; N134-L137 PolarHBondContact O-N 3.21Å; N134-R138 VanDerWaalsContact O-CB 3.3Å; N134-R138 WeakPolarHBondContact O-CB 3.43Å; N134-R138 PolarHBondContact O-N 3.03Å
135A90.5Very high89.6Confident43 Ų4390.2 Ų90.236%0.35545%0.447SS..Hα-helixtrans-65.5-37.3175.500000112.2N131 E132 R139N131-A135 VanDerWaalsContact O-CB 3.29Å; N131-A135 WeakPolarHBondContact O-CB 3.26Å; N131-A135 PolarHBondContact O-N 3.04Å; E132-A135 PolarHBondContact O-N 3.41Å; A135-R139 WeakPolarHBondContact O-CG 3.38Å; A135-R139 PolarHBondContact O-N 2.86Å; A135-R139 VanDerWaalsContact O-N 3.09Å; A135-R139 PolarHBondContact O-NE 2.74Å
136R92.9Very high89.8Confident160 Ų16096.9 Ų96.960%0.60448%0.484SS*.Hα-helixtrans-65.3-45173.2-172.8175.470.4179.54.6111.6E132 K133 R139 A140E132-R136 WeakPolarHBondContact O-CB 3.47Å; E132-R136 PolarHBondContact O-N 3.3Å; K133-R136 PolarHBondContact O-N 2.82Å; R136-R139 PolarHBondContact O-N 3.37Å; R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 2.92Å
137L92.4Very high89.9Confident96 Ų9697.1 Ų97.150%0.50348%0.482SS..Hα-helixtrans-64-41.2175.7-73171.3000111.9K133 N134 R139 A140 L141K133-L137 WeakPolarHBondContact O-CG 3.24Å; K133-L137 PolarHBondContact O-N 2.81Å; N134-L137 PolarHBondContact O-N 3.21Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 3.12Å; L137-A140 PolarHBondContact O-N 3.33Å; L137-L141 WeakPolarHBondContact O-CB 2.97Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 2.85Å
138R91.7Very high89.8Confident68 Ų6899.2 Ų99.226%0.25750%0.495SS..Hα-helixtrans-56.8-47.6175.4-174.7-172.9177.393.5-32.9111.4N134 L141 K142 I143 S144 D145N134-R138 VanDerWaalsContact O-CB 3.3Å; N134-R138 WeakPolarHBondContact O-CB 3.43Å; N134-R138 PolarHBondContact O-N 3.03Å; R138-L141 PolarHBondContact O-N 3.01Å; R138-K142 PolarHBondContact O-N 3.18Å; R138-I143 HydrophobicContact CG-CB 3.81Å; R138-I143 HydrophobicContact CG-CG2 4.09Å; R138-I143 PolarHBondContact O-N 3.43Å; R138-S144 PolarHBondContact NH1-O 3.42Å; R138-S144 PolarHBondContact NH2-O 3.41Å; R138-D145 IonicContact CZ-OD1 3.58Å; R138-D145 IonicContact NE-OD1 2.98Å; R138-D145 PolarHBondContact NE-OD1 3.09Å; R138-D145 PolarHBondContact NH2-O 3.18Å; R138-D145 IonicContact NH2-OD1 3.18Å
139R93.2Very high89.6Confident177 Ų177101.3 Ų101.367%0.66851%0.513SS*.Hα-helixtrans-61.5-45.9174.9-76.2-178.1-77.9139.8-10.7112.1A135 R136 L137 L141 K142A135-R139 WeakPolarHBondContact O-CG 3.38Å; A135-R139 PolarHBondContact O-N 2.86Å; A135-R139 VanDerWaalsContact O-N 3.09Å; A135-R139 PolarHBondContact O-NE 2.74Å; R136-R139 PolarHBondContact O-N 3.37Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 3.12Å; R139-L141 PolarHBondContact O-N 3.01Å; R139-K142 PolarHBondContact O-N 3.38Å
140A95.6Very high89.4Confident77 Ų77102.1 Ų102.164%0.63653%0.526SS*.Hα-helixtrans-63.5-40.1-179.900000112.8R136 L137 K142R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 2.92Å; L137-A140 PolarHBondContact O-N 3.33Å; A140-K142 VanDerWaalsContact C-N 3.26Å; A140-K142 PolarHBondContact O-N 3.04Å
141L94.8Very high89.2Confident121 Ų121100.5 Ų100.563%0.63453%0.525SS*.THydrogen-bonded Turntrans-82.73179.7-66.7175.3000113.7L137 R138 R139 I143L137-L141 WeakPolarHBondContact O-CB 2.97Å; L137-L141 WeakPolarHBondContact O-CG 3.29Å; L137-L141 PolarHBondContact O-N 2.85Å; R138-L141 PolarHBondContact O-N 3.01Å; R139-L141 PolarHBondContact O-N 3.01Å; L141-I143 HydrophobicContact CB-CD1 3.92Å; L141-I143 HydrophobicContact CB-CG1 3.87Å; L141-I143 HydrophobicContact CD1-CD1 4.07Å; L141-I143 PolarHBondContact O-N 3.48Å
142K92.6Very high88.8Confident194 Ų194100.9 Ų100.984%0.84354%0.538SS*.THydrogen-bonded Turntrans53.336-177.3-56-179.9179.2179.70113R138 R139 A140R138-K142 PolarHBondContact O-N 3.18Å; R139-K142 PolarHBondContact O-N 3.38Å; A140-K142 VanDerWaalsContact C-N 3.26Å; A140-K142 PolarHBondContact O-N 3.04Å
143I90.6Very high88.5Confident62 Ų62102 Ų10232%0.31854%0.542SS..  trans-77.3126.1175.6-63.4171.3000107.8R138 L141 Y147R138-I143 HydrophobicContact CG-CB 3.81Å; R138-I143 HydrophobicContact CG-CG2 4.09Å; R138-I143 PolarHBondContact O-N 3.43Å; L141-I143 HydrophobicContact CB-CD1 3.92Å; L141-I143 HydrophobicContact CB-CG1 3.87Å; L141-I143 HydrophobicContact CD1-CD1 4.07Å; L141-I143 PolarHBondContact O-N 3.48Å; I143-Y147 HydrophobicContact CG2-CD1 3.97Å; I143-Y147 HydrophobicContact CG2-CD2 4.17Å; I143-Y147 HydrophobicContact CG2-CG 3.61Å
144S90.3Very high87.7Confident70 Ų70105.7 Ų105.749%0.4956%0.558SS.*  trans-65.3157-177.561.40000112.9R138 D146 Y147R138-S144 PolarHBondContact NH1-O 3.42Å; R138-S144 PolarHBondContact NH2-O 3.41Å; S144-D146 PolarHBondContact O-N 3.17Å; S144-Y147 VanDerWaalsContact O-CB 3.26Å; S144-Y147 WeakPolarHBondContact O-CB 3.32Å; S144-Y147 PolarHBondContact O-N 3.31Å; S144-Y147 VanDerWaalsContact O-N 3.15Å
145D87.5Confident86.7Confident138 Ų138107.1 Ų107.174%0.73856%0.56SS**THydrogen-bonded Turntrans-66.8-26.8178.1-75.2-32.4000113.6R138 Y147R138-D145 IonicContact CZ-OD1 3.58Å; R138-D145 IonicContact NE-OD1 2.98Å; R138-D145 PolarHBondContact NE-OD1 3.09Å; R138-D145 PolarHBondContact NH2-O 3.18Å; R138-D145 IonicContact NH2-OD1 3.18Å; D145-Y147 PolarHBondContact O-N 2.95Å
146D89.5Confident85.4Confident144 Ų144111.4 Ų111.477%0.7757%0.574SS**THydrogen-bonded Turntrans-82.14.5176.3-52.4-43.9000113.8S144 V148S144-D146 PolarHBondContact O-N 3.17Å; D146-V148 PolarHBondContact O-N 3.24Å; D146-V148 VanDerWaalsContact O-N 3.07Å
147Y87Confident84Confident122 Ų122106.1 Ų106.148%0.47857%0.569SS.*  trans-63.2113.8179.4174.7-97.4000111.2I143 S144 D145 P149I143-Y147 HydrophobicContact CG2-CD1 3.97Å; I143-Y147 HydrophobicContact CG2-CD2 4.17Å; I143-Y147 HydrophobicContact CG2-CG 3.61Å; S144-Y147 VanDerWaalsContact O-CB 3.26Å; S144-Y147 WeakPolarHBondContact O-CB 3.32Å; S144-Y147 PolarHBondContact O-N 3.31Å; S144-Y147 VanDerWaalsContact O-N 3.15Å; D145-Y147 PolarHBondContact O-N 2.95Å; Y147-P149 HydrophobicContact CE1-CB 4.48Å; Y147-P149 HydrophobicContact CE1-CG 4.19Å
148V84.4Confident82.5Confident85 Ų85106.6 Ų106.652%0.51557%0.572SS.*  trans-96119172.7179.60000109.3D146 G150 A151D146-V148 PolarHBondContact O-N 3.24Å; D146-V148 VanDerWaalsContact O-N 3.07Å; V148-G150 PolarHBondContact O-N 3.44Å; V148-A151 HydrophobicContact CB-CB 4.18Å; V148-A151 VanDerWaalsContact O-CB 3.24Å; V148-A151 WeakPolarHBondContact O-CB 3.11Å; V148-A151 PolarHBondContact O-N 3.05Å; V148-A151 VanDerWaalsContact O-N 3.13Å
149P82Confident81.1Confident102 Ų102112.3 Ų112.366%0.66260%0.602SS**THydrogen-bonded Turntrans-52.2135173.3-25.934.4000111.5Y147 A151Y147-P149 HydrophobicContact CE1-CB 4.48Å; Y147-P149 HydrophobicContact CE1-CG 4.19Å; P149-A151 VanDerWaalsContact C-N 3.27Å; P149-A151 PolarHBondContact O-N 3.16Å
150G80.5Confident79.6Confident37 Ų37111.5 Ų111.538%0.38161%0.61SS.*THydrogen-bonded Turntrans79.1-5.7179.600000116V148 A152 F153V148-G150 PolarHBondContact O-N 3.44Å; G150-A152 PolarHBondContact O-N 2.96Å; G150-A152 VanDerWaalsContact O-N 3.12Å; G150-F153 PolarHBondContact O-N 3.28Å
151A83.1Confident77.8Confident44 Ų44110.8 Ų110.836%0.36460%0.599SS.*Hα-helixtrans-57.9-28.1177.700000113.6V148 P149 F153 K154V148-A151 HydrophobicContact CB-CB 4.18Å; V148-A151 VanDerWaalsContact O-CB 3.24Å; V148-A151 WeakPolarHBondContact O-CB 3.11Å; V148-A151 PolarHBondContact O-N 3.05Å; V148-A151 VanDerWaalsContact O-N 3.13Å; P149-A151 VanDerWaalsContact C-N 3.27Å; P149-A151 PolarHBondContact O-N 3.16Å; A151-F153 VanDerWaalsContact C-N 3.27Å; A151-F153 PolarHBondContact O-N 2.93Å; A151-K154 PolarHBondContact O-N 3.39Å
152A80.4Confident76Confident80 Ų80109.9 Ų109.966%0.66160%0.598SS**Hα-helixtrans-63.5-29.617600000113.5G150G150-A152 PolarHBondContact O-N 2.96Å; G150-A152 VanDerWaalsContact O-N 3.12Å
153F80.7Confident74.3Confident147 Ų147104.4 Ų104.465%0.64558%0.577SS**Hα-helixtrans-88.9-17.1-177.8-60.1-69.7000113.4G150 A151 K155 M156G150-F153 PolarHBondContact O-N 3.28Å; A151-F153 VanDerWaalsContact C-N 3.27Å; A151-F153 PolarHBondContact O-N 2.93Å; F153-K155 PolarHBondContact O-N 3.34Å; F153-M156 HydrophobicContact CD1-SD 4.16Å; F153-M156 PolarHBondContact O-N 3.01Å
154K73.2Confident72.4Confident159 Ų159106.7 Ų106.769%0.69160%0.596SS**Hα-helixtrans-56.8-35178.7-71.5-168.9175.4-174.90112.2A151 M156A151-K154 PolarHBondContact O-N 3.39Å; K154-M156 VanDerWaalsContact C-N 3.32Å; K154-M156 PolarHBondContact O-N 3.16Å
155K67.3Low70.8Confident124 Ų124107 Ų10754%0.53961%0.61SS.*THydrogen-bonded Turntrans-77.4-10.3179.8-62.6-174.2178-175.70114.6F153 T161F153-K155 PolarHBondContact O-N 3.34Å; K155-T161 PolarHBondContact O-OG1 3.39Å
156M63.3Low68.9Low132 Ų132107.4 Ų107.465%0.6561%0.605SS**THydrogen-bonded Turntrans-82.8-22.4178.5-91.4179.3171.500113.3F153 K154F153-M156 HydrophobicContact CD1-SD 4.16Å; F153-M156 PolarHBondContact O-N 3.01Å; K154-M156 VanDerWaalsContact C-N 3.32Å; K154-M156 PolarHBondContact O-N 3.16Å
157G64.8Low66.8Low50 Ų50106.9 Ų106.952%0.51561%0.608SS.*SBendtrans-77.9-23.6176.800000113.3H159G157-H159 PolarHBondContact O-CE1 3.25Å; G157-H159 PolarHBondContact O-N 3.33Å
158D61.3Low65.1Low105 Ų105106.3 Ų106.356%0.56162%0.617SS**  trans-86106.6179.8-74-19.3000109.7N160 T161D158-N160 PolarHBondContact O-N 2.88Å; D158-T161 WeakPolarHBondContact CB-OG1 3.46Å; D158-T161 PolarHBondContact O-N 3.15Å; D158-T161 PolarHBondContact O-OG1 3.34Å; D158-T161 VanDerWaalsContact O-OG1 3.09Å
159H62.1Low63.5Low188 Ų188107.6 Ų107.687%0.8763%0.626SS**THydrogen-bonded Turntrans-58.8-13-178.2-47.2-46000114.3G157G157-H159 PolarHBondContact O-CE1 3.25Å; G157-H159 PolarHBondContact O-N 3.33Å
160N61.1Low62.2Low160 Ų160111.2 Ų111.286%0.85664%0.635SS**THydrogen-bonded Turntrans-104.8-1.6-176.7-75.7-8.7000114.7D158D158-N160 PolarHBondContact O-N 2.88Å
161T57.6Low60.7Low63 Ų63115.2 Ų115.239%0.38765%0.654SS.*  trans-94.9110.6-179.59.60000112K155 D158 I163K155-T161 PolarHBondContact O-OG1 3.39Å; D158-T161 WeakPolarHBondContact CB-OG1 3.46Å; D158-T161 PolarHBondContact O-N 3.15Å; D158-T161 PolarHBondContact O-OG1 3.34Å; D158-T161 VanDerWaalsContact O-OG1 3.09Å; T161-I163 PolarHBondContact O-N 3.07Å
162V56Low59.6Low101 Ų101119.7 Ų119.761%0.61268%0.677SS**  trans-64121.9167.3-1770000108.5
163I57.5Low58.4Low79 Ų79128.5 Ų128.541%0.40570%0.704SS.*  trans-59.5125.9174.8-57.4173.2000107.8T161 G165 K166T161-I163 PolarHBondContact O-N 3.07Å; I163-G165 PolarHBondContact O-N 3.4Å; I163-K166 HydrophobicContact CD1-CD 4.41Å; I163-K166 PolarHBondContact O-N 3.21Å
164P51.7Low57.2Low110 Ų110127.6 Ų127.671%0.71471%0.707SS**THydrogen-bonded Turntrans-61.2110.117424.6-30.8000108.4
165G55.7Low56.4Low77 Ų77125.9 Ų125.979%0.79471%0.708SS**THydrogen-bonded Turntrans120.8-9.7-17600000115.9I163I163-G165 PolarHBondContact O-N 3.4Å
166K48.6Very low55.8Low146 Ų146126.1 Ų126.164%0.63572%0.718SS**  trans-98.398.3164.7-84.3-170.2176.3-177.30109.6I163 V168I163-K166 HydrophobicContact CD1-CD 4.41Å; I163-K166 PolarHBondContact O-N 3.21Å; K166-V168 PolarHBondContact O-N 3.06Å
167T44.4Very low55.4Low134 Ų134125.7 Ų125.782%0.82272%0.721SS**  trans-67.2111.9161.548.90000108
168V52.3Low54.8Low110 Ų110130.4 Ų130.467%0.66773%0.734SS**PPolyproline II helixtrans-71.3127164.2-175.30000105.9K166 E170K166-V168 PolarHBondContact O-N 3.06Å; V168-E170 PolarHBondContact O-N 2.88Å
169P50.4Low54.3Low111 Ų111132.1 Ų132.172%0.72175%0.746SS**PPolyproline II helixtrans-63.6128.7173.726.4-31.4000108.6
170E55.1Low53.8Low179 Ų179128.1 Ų128.184%0.83674%0.737SS**PPolyproline II helixtrans-60.5139174-74.1-169.8162.200109.9V168 T172V168-E170 PolarHBondContact O-N 2.88Å; E170-T172 PolarHBondContact O-N 3.39Å
171P48.6Very low53.2Low121 Ų121125.7 Ų125.779%0.78673%0.728SS**PPolyproline II helixtrans-70.5119.8172.529.4-30.2000108.5E173P171-E173 PolarHBondContact O-N 3.29Å
172T60.3Low52.9Low137 Ų137130.9 Ų130.984%0.8476%0.756SS**PPolyproline II helixtrans-65.1121.8164.742.50000109E170E170-T172 PolarHBondContact O-N 3.39Å
173E53.8Low52.6Low266 Ų266133.6 Ų133.6100%1.24377%0.769SS**  trans-54.30162-70.4-176160.600112P171P171-E173 PolarHBondContact O-N 3.29Å

Retrieved 173 of 173 residues in 89.7 ms (Link to these results)