A0A077ZEK3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEK3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 481 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
1M48.7Very low42.9Very low148 Ų148122.5 Ų122.573%0.72958%0.584SS**  0132.80-70.4-173.887.500108Q5 Y9M1-Q5 HydrophobicContact CB-CB 4.42Å; M1-Q5 HydrophobicContact CE-CB 3.85Å; M1-Y9 HydrophobicContact CE-CD2 3.65Å; M1-Y9 HydrophobicContact CE-CE2 3.77Å
2S52.6Low42.4Very low65 Ų65119.8 Ų119.846%0.45557%0.57SS.*  trans-74.6158174.469.80000110.6R4 Q5 R6S2-R4 PolarHBondContact O-N 3.5Å; S2-Q5 VanDerWaalsContact N-OE1 3.15Å; S2-Q5 WeakPolarHBondContact O-CA 3.44Å; S2-Q5 WeakPolarHBondContact O-CB 3.49Å; S2-Q5 PolarHBondContact O-N 3.07Å; S2-R6 PolarHBondContact O-N 2.78Å
3D45.2Very low42Very low107 Ų107114.5 Ų114.557%0.57256%0.559SS**Hα-helixtrans-65-26.4-178.4-67.9-29.3000112.8Q5 R6 V7D3-Q5 VanDerWaalsContact C-N 3.33Å; D3-Q5 PolarHBondContact O-N 3.18Å; D3-R6 PolarHBondContact O-N 3.06Å; D3-R6 VanDerWaalsContact O-N 3.17Å; D3-R6 IonicContact OD1-CZ 3.82Å; D3-R6 IonicContact OD1-NE 3.19Å; D3-R6 PolarHBondContact OD1-NE 2.77Å; D3-R6 IonicContact OD1-NH2 3.35Å; D3-R6 PolarHBondContact OD1-NH2 2.87Å; D3-V7 PolarHBondContact O-N 3.26Å; D3-V7 VanDerWaalsContact O-N 3.13Å
4R38.9Very low41.6Very low203 Ų203115.5 Ų115.577%0.76657%0.568SS**Hα-helixtrans-58.3-41.9166.6-97.9-175.7171.5172.4-1.3112.4S2 R6 Y8S2-R4 PolarHBondContact O-N 3.5Å; R4-R6 VanDerWaalsContact C-N 3.31Å; R4-R6 PolarHBondContact O-N 2.74Å; R4-Y8 PolarHBondContact O-N 2.97Å
5Q41.3Very low41.2Very low96 Ų96113.7 Ų113.745%0.44957%0.566SS.*Hα-helixtrans-68.6-31177.3-65.1173.4-23.500112M1 S2 D3 Y8 Y9M1-Q5 HydrophobicContact CB-CB 4.42Å; M1-Q5 HydrophobicContact CE-CB 3.85Å; S2-Q5 VanDerWaalsContact N-OE1 3.15Å; S2-Q5 WeakPolarHBondContact O-CA 3.44Å; S2-Q5 WeakPolarHBondContact O-CB 3.49Å; S2-Q5 PolarHBondContact O-N 3.07Å; D3-Q5 VanDerWaalsContact C-N 3.33Å; D3-Q5 PolarHBondContact O-N 3.18Å; Q5-Y8 PolarHBondContact O-N 3.34Å; Q5-Y9 PolarHBondContact O-N 3.39Å
6R38.7Very low40.8Very low148 Ų148113.3 Ų113.356%0.55857%0.572SS**Hα-helixtrans-67.6-43.9175.9-88.6-168.6-92.9-156.1-4.6112.7S2 D3 R4 Y8 Y9 L10S2-R6 PolarHBondContact O-N 2.78Å; D3-R6 PolarHBondContact O-N 3.06Å; D3-R6 VanDerWaalsContact O-N 3.17Å; D3-R6 IonicContact OD1-CZ 3.82Å; D3-R6 IonicContact OD1-NE 3.19Å; D3-R6 PolarHBondContact OD1-NE 2.77Å; D3-R6 IonicContact OD1-NH2 3.35Å; D3-R6 PolarHBondContact OD1-NH2 2.87Å; R4-R6 VanDerWaalsContact C-N 3.31Å; R4-R6 PolarHBondContact O-N 2.74Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; R6-Y8 PolarHBondContact O-N 2.95Å; R6-Y9 PolarHBondContact O-N 2.76Å; R6-L10 PolarHBondContact O-N 3.09Å
7V44.5Very low40.3Very low103 Ų103114.2 Ų114.262%0.62458%0.579SS**Hα-helixtrans-62.7-41.7175.3177.80000110.5D3 Y9 L10 A11D3-V7 PolarHBondContact O-N 3.26Å; D3-V7 VanDerWaalsContact O-N 3.13Å; V7-Y9 PolarHBondContact O-N 3.34Å; V7-L10 PolarHBondContact O-N 2.77Å; V7-A11 WeakPolarHBondContact O-CB 3.48Å; V7-A11 PolarHBondContact O-N 2.78Å
8Y41.7Very low39.8Very low152 Ų152113.5 Ų113.560%0.59659%0.586SS**Hα-helixtrans-61.7-43.3176.2-166.3-92.3000112.5R4 Q5 R6 A11 Q12R4-Y8 PolarHBondContact O-N 2.97Å; Q5-Y8 PolarHBondContact O-N 3.34Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; R6-Y8 PolarHBondContact O-N 2.95Å; Y8-A11 PolarHBondContact O-N 3.32Å; Y8-Q12 HydrophobicContact CE1-CG 4.09Å; Y8-Q12 PolarHBondContact O-N 3.37Å
9Y37.1Very low39.2Very low148 Ų148112.9 Ų112.958%0.5859%0.593SS**Hα-helixtrans-66.2-39.8177.1-111.2-87000113.1M1 Q5 R6 V7 A11 Q12 A13M1-Y9 HydrophobicContact CE-CD2 3.65Å; M1-Y9 HydrophobicContact CE-CE2 3.77Å; Q5-Y9 PolarHBondContact O-N 3.39Å; R6-Y9 PolarHBondContact O-N 2.76Å; V7-Y9 PolarHBondContact O-N 3.34Å; Y9-A11 VanDerWaalsContact C-N 3.31Å; Y9-Q12 PolarHBondContact O-N 2.95Å; Y9-A13 WeakPolarHBondContact O-CB 3.18Å; Y9-A13 PolarHBondContact O-N 2.67Å
10L41.3Very low38.8Very low123 Ų123111.8 Ų111.864%0.64460%0.601SS**Hα-helixtrans-65.3-36.3175.2-82.8162.9000111.8R6 V7R6-L10 PolarHBondContact O-N 3.09Å; V7-L10 PolarHBondContact O-N 2.77Å
11A41.7Very low38.4Very low55 Ų55116 Ų11646%0.45562%0.617SS.*Hα-helixtrans-65.8-47.8172.700000111.2V7 Y8 Y9 A13 N14 V15V7-A11 WeakPolarHBondContact O-CB 3.48Å; V7-A11 PolarHBondContact O-N 2.78Å; Y8-A11 PolarHBondContact O-N 3.32Å; Y9-A11 VanDerWaalsContact C-N 3.31Å; A11-A13 PolarHBondContact O-N 3.4Å; A11-N14 PolarHBondContact O-N 3.27Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3Å
12Q37.2Very low37.4Very low89 Ų89112 Ų11242%0.41661%0.613SS.*Hα-helixtrans-62.9-39.1178.2-96-166.9-5.800113.6Y8 Y9 N14 V15 T16Y8-Q12 HydrophobicContact CE1-CG 4.09Å; Y8-Q12 PolarHBondContact O-N 3.37Å; Y9-Q12 PolarHBondContact O-N 2.95Å; Q12-N14 PolarHBondContact O-N 3.19Å; Q12-V15 PolarHBondContact O-N 3.06Å; Q12-T16 PolarHBondContact O-N 2.77Å; Q12-T16 VanDerWaalsContact O-N 3.12Å; Q12-T16 PolarHBondContact O-OG1 2.97Å
13A37.8Very low36.4Very low51 Ų51115.4 Ų115.442%0.42163%0.631SS.*Hα-helixtrans-62.6-24.2178.700000113Y9 A11 N17Y9-A13 WeakPolarHBondContact O-CB 3.18Å; Y9-A13 PolarHBondContact O-N 2.67Å; A11-A13 PolarHBondContact O-N 3.4Å; A13-N17 PolarHBondContact O-ND2 3.15Å
14N35.8Very low35.8Very low129 Ų129119.4 Ų119.469%0.6965%0.646SS**Hα-helixtrans-85.4-22.5173.2-74.6-27.1000113A11 Q12A11-N14 PolarHBondContact O-N 3.27Å; Q12-N14 PolarHBondContact O-N 3.19Å
15V35.7Very low35.3Very low88 Ų88115.1 Ų115.153%0.53365%0.647SS.*Hα-helixtrans-84.9-31.1-179-179.50000112.3A11 Q12 N17 S18A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3Å; Q12-V15 PolarHBondContact O-N 3.06Å; V15-N17 PolarHBondContact O-N 3.33Å; V15-N17 VanDerWaalsContact O-N 3.08Å; V15-S18 PolarHBondContact O-N 2.9Å; V15-S18 PolarHBondContact O-OG 2.77Å
16T34Very low34.6Very low107 Ų107112.5 Ų112.566%0.65665%0.646SS**THydrogen-bonded Turntrans-71.7-1.217945.40000114.9Q12Q12-T16 PolarHBondContact O-N 2.77Å; Q12-T16 VanDerWaalsContact O-N 3.12Å; Q12-T16 PolarHBondContact O-OG1 2.97Å
17N32.3Very low34.2Very low129 Ų129110.6 Ų110.669%0.6965%0.653SS**THydrogen-bonded Turntrans-98.30.4179.2-75.7-40.4000115A13 V15A13-N17 PolarHBondContact O-ND2 3.15Å; V15-N17 PolarHBondContact O-N 3.33Å; V15-N17 VanDerWaalsContact O-N 3.08Å
18S31.4Very low33.2Very low102 Ų102116.2 Ų116.271%0.71366%0.663SS**SBendtrans-97.4-0.4-177.153.20000115.3V15V15-S18 PolarHBondContact O-N 2.9Å; V15-S18 PolarHBondContact O-OG 2.77Å
19S29.3Very low32.6Very low103 Ų103117.4 Ų117.472%0.7267%0.672SS**SBendtrans-131.550.4-173.960.80000115.1
20A30Very low32Very low90 Ų90116.4 Ų116.474%0.74468%0.681SS**  trans-156.9119.315700000111.4G22A20-G22 PolarHBondContact O-N 3.48Å
21Q31.5Very low31.2Very low201 Ų201117.7 Ų117.794%0.93969%0.687SS**  trans-50.3134.4158.4-70.9171.1-35.500109.7
22G27.9Very low30.4Very low64 Ų64118 Ų11866%0.6669%0.689SS**SBendtrans107.4115.5161.100000114.5A20A20-G22 PolarHBondContact O-N 3.48Å
23V31.1Very low29.8Very low135 Ų135124.8 Ų124.882%0.81871%0.711SS**  trans69.498.8161.6-1590000114S25V23-S25 VanDerWaalsContact C-N 3.27Å; V23-S25 PolarHBondContact O-N 2.81Å
24Q32.6Very low29.2Very low192 Ų192130 Ų13090%0.89773%0.727SS**  trans-53.989.4166.2-72.3177.2-13.500110.6
25S28.3Very low28.7Very low113 Ų113128 Ų12879%0.7972%0.723SS**  trans-110.537.6172.2175.20000109.7V23V23-S25 VanDerWaalsContact C-N 3.27Å; V23-S25 PolarHBondContact O-N 2.81Å
26G25.9Very low28.7Very low41 Ų41129.9 Ų129.942%0.42374%0.737SS.*SBendtrans-74.8152.6162.700000109.7R28G26-R28 PolarHBondContact O-N 3.26Å
27P30.1Very low28.5Very low108 Ų108129.7 Ų129.770%0.70174%0.736SS**  trans-55.6105176.122.7-31.3000109F29P27-F29 HydrophobicContact CB-CE2 4.42Å; P27-F29 HydrophobicContact CG-CE2 4.22Å; P27-F29 WeakPolarHBondContact O-CD2 3.41Å; P27-F29 PolarHBondContact O-N 2.93Å
28R24.9Very low28.3Very low220 Ų220128 Ų12883%0.8374%0.739SS**  trans-64.599.6171.8-93.1-178.1157175.4-4.1107G26 T30G26-R28 PolarHBondContact O-N 3.26Å; R28-T30 PolarHBondContact O-N 3.23Å
29F27.8Very low27.9Very low178 Ų178130.9 Ų130.978%0.78174%0.741SS**  trans-68.986.8159.9-64-79.9000107.2P27 I31P27-F29 HydrophobicContact CB-CE2 4.42Å; P27-F29 HydrophobicContact CG-CE2 4.22Å; P27-F29 WeakPolarHBondContact O-CD2 3.41Å; P27-F29 PolarHBondContact O-N 2.93Å; F29-I31 VanDerWaalsContact C-N 3.32Å; F29-I31 PolarHBondContact O-N 3.43Å
30T24.4Very low27.9Very low127 Ų127131.7 Ų131.778%0.77974%0.744SS**  trans-63.1102.7158.819.20000106.5R28 A32R28-T30 PolarHBondContact O-N 3.23Å; T30-A32 PolarHBondContact O-N 2.99Å
31I25Very low27.7Very low149 Ų149133.3 Ų133.376%0.76474%0.744SS**  trans-6294.8160.8-58.2170.6000104.4F29 R33F29-I31 VanDerWaalsContact C-N 3.32Å; F29-I31 PolarHBondContact O-N 3.43Å; I31-R33 PolarHBondContact O-N 3.49Å
32A24.3Very low27.4Very low62 Ų62128.7 Ų128.751%0.51273%0.732SS.*  trans-58.5100.1165.300000105T30 H34T30-A32 PolarHBondContact O-N 2.99Å; A32-H34 PolarHBondContact O-CD2 2.88Å; A32-H34 PolarHBondContact O-N 3.48Å
33R25.7Very low27.4Very low232 Ų232130.8 Ų130.888%0.87574%0.743SS**  trans-6391.8159.9-72.5-175.1176.2-171.7-2.2103.6I31 S35I31-R33 PolarHBondContact O-N 3.49Å; R33-S35 PolarHBondContact O-N 2.92Å
34H24.4Very low27.2Very low160 Ų160129.1 Ų129.174%0.74174%0.737SS**  trans-60.285.4160-63.5-75.6000104.7A32A32-H34 PolarHBondContact O-CD2 2.88Å; A32-H34 PolarHBondContact O-N 3.48Å
35S26.9Very low27Very low87 Ų87125.9 Ų125.961%0.60873%0.73SS**  trans-48.9129.6148.350.50000104.5R33 T37R33-S35 PolarHBondContact O-N 2.92Å; S35-T37 PolarHBondContact O-N 3.38Å; S35-T37 PolarHBondContact O-OG1 3.47Å
36P34.5Very low26.9Very low128 Ų128123.3 Ų123.383%0.83172%0.721SS**  trans-57.196-174.422.1-31.5000107.6A38P36-A38 PolarHBondContact O-N 3.23Å
37T30.1Very low27Very low103 Ų103128.5 Ų128.563%0.63274%0.74SS**  trans-63.5115.6175-28.40000102.6S35 H39S35-T37 PolarHBondContact O-N 3.38Å; S35-T37 PolarHBondContact O-OG1 3.47Å; T37-H39 PolarHBondContact O-N 3.32Å
38A28.1Very low27Very low92 Ų92130.4 Ų130.476%0.7674%0.743SS**  trans-49.493.7174.400000107.7P36 P40P36-A38 PolarHBondContact O-N 3.23Å; A38-P40 WeakPolarHBondContact O-CD 3.45Å
39H24.1Very low27Very low163 Ų163129.5 Ų129.576%0.75574%0.741SS**  trans-65.4118.2161.5-80.2-69.9000103.9T37 V41T37-H39 PolarHBondContact O-N 3.32Å; H39-V41 PolarHBondContact O-N 2.96Å
40P27.6Very low27Very low121 Ų121126.5 Ų126.579%0.78674%0.739SS**  trans-63.296166.926.6-30.3000105.7A38 P42A38-P40 WeakPolarHBondContact O-CD 3.45Å; P40-P42 WeakPolarHBondContact O-CD 3.39Å
41V26.9Very low27.2Very low123 Ų123126 Ų12675%0.74574%0.736SS**  trans-64.6122.9169.7177.40000105.2H39 A43H39-V41 PolarHBondContact O-N 2.96Å; V41-A43 PolarHBondContact O-N 2.91Å; V41-A43 VanDerWaalsContact O-N 3.16Å
42P25.9Very low27.4Very low105 Ų105126.7 Ų126.768%0.68274%0.741SS**  trans-55.6124.7-179.819.6-29.8000109.5P40 S44P40-P42 WeakPolarHBondContact O-CD 3.39Å; P42-S44 VanDerWaalsContact C-N 3.25Å; P42-S44 PolarHBondContact O-N 3.44Å
43A26.5Very low27.4Very low107 Ų107130.4 Ų130.488%0.88475%0.752SS**SBendtrans-69.875.7-179.200000110.8V41V41-A43 PolarHBondContact O-N 2.91Å; V41-A43 VanDerWaalsContact O-N 3.16Å
44S27.6Very low27.6Very low101 Ų101128.8 Ų128.871%0.70675%0.754SS**  trans-174.157164.863.40000113.1P42P42-S44 VanDerWaalsContact C-N 3.25Å; P42-S44 PolarHBondContact O-N 3.44Å
45V28.5Very low27.7Very low123 Ų123125.4 Ų125.475%0.74576%0.755SS**  trans-137.488.2156.7-167.70000107.6L48V45-L48 HydrophobicContact CG1-CD1 4.49Å
46G26.9Very low27.7Very low59 Ų59132.2 Ų132.261%0.60877%0.767SS**  trans-60.7142.4173.100000111.6L48G46-L48 PolarHBondContact O-N 3.36Å
47N26.9Very low27.3Very low151 Ų151135.3 Ų135.381%0.80777%0.767SS**  trans55.855.5143.1-56-13.4000117.5Y49N47-Y49 VanDerWaalsContact C-N 3.31Å
48L30.1Very low27.3Very low147 Ų147135.2 Ų135.277%0.7777%0.769SS**SBendtrans-84-4.8162.1-81.7169.6000114.1V45 G46V45-L48 HydrophobicContact CG1-CD1 4.49Å; G46-L48 PolarHBondContact O-N 3.36Å
49Y25.9Very low27.2Very low201 Ų201139.1 Ų139.179%0.78878%0.777SS**SBendtrans-108.1116.1165.9-70.2-81.1000108.2N47 T51N47-Y49 VanDerWaalsContact C-N 3.31Å; Y49-T51 PolarHBondContact O-N 3.42Å
50P27.4Very low27.5Very low115 Ų115138.1 Ų138.175%0.74777%0.772SS**  trans-57.3117.7164.724-29.1000106.1L52P50-L52 VanDerWaalsContact C-N 3.33Å; P50-L52 PolarHBondContact O-N 3.07Å
51T29Very low27.5Very low117 Ų117138 Ų13872%0.71878%0.775SS**  trans-52.6102.9169.645.40000106.8Y49 N53Y49-T51 PolarHBondContact O-N 3.42Å; T51-N53 VanDerWaalsContact C-N 3.34Å; T51-N53 PolarHBondContact O-N 2.75Å
52L28Very low27.7Very low163 Ų163139.9 Ų139.985%0.85378%0.775SS**  trans-56.1105.3167.2-92.8152.2000105.6P50 Q54P50-L52 VanDerWaalsContact C-N 3.33Å; P50-L52 PolarHBondContact O-N 3.07Å; L52-Q54 PolarHBondContact O-N 3.12Å
53N25.7Very low27.6Very low141 Ų141137.9 Ų137.975%0.75477%0.774SS**  trans-47111.8176.2-89.7-37.7000108.5T51 A55T51-N53 VanDerWaalsContact C-N 3.34Å; T51-N53 PolarHBondContact O-N 2.75Å; N53-A55 PolarHBondContact O-N 2.9Å
54Q28.2Very low27.8Very low197 Ų197138.3 Ų138.392%0.92177%0.768SS**SBendtrans-64.37.3176.4-83.6-176.6-8.400113.5L52 R56L52-Q54 PolarHBondContact O-N 3.12Å; Q54-R56 PolarHBondContact O-N 2.83Å
55A27.4Very low27.9Very low90 Ų90140.8 Ų140.874%0.74477%0.773SS**SBendtrans-92.916.6-168.200000115.4N53N53-A55 PolarHBondContact O-N 2.9Å
56R26Very low27.8Very low230 Ų230142.2 Ų142.287%0.86878%0.775SS**  trans-141.317-175.4-113.6-174.3-158.3-172.95.8118.9Q54 P58Q54-R56 PolarHBondContact O-N 2.83Å; R56-P58 WeakPolarHBondContact O-CD 3.48Å
57F27.1Very low27.8Very low192 Ų192144.3 Ų144.384%0.84278%0.777SS**  trans-102.2102.9163.3-69.5-72.3000108.7N59F57-N59 PolarHBondContact O-N 3.34Å
58P30Very low27.7Very low102 Ų102143 Ų14366%0.66278%0.775SS**  trans-59.7138.8164.526.4-30.5000107.7R56 E60R56-P58 WeakPolarHBondContact O-CD 3.48Å; P58-E60 PolarHBondContact O-N 3.02Å
59N26.7Very low27.4Very low173 Ų173143.8 Ų143.893%0.92578%0.779SS**  trans-58.178.7174.9-71.6-36.1000110.3F57 S61F57-N59 PolarHBondContact O-N 3.34Å; N59-S61 PolarHBondContact O-N 3.15Å
60E29.9Very low27.2Very low142 Ų142139.3 Ų139.366%0.66477%0.773SS**  trans-87.9105.5163.6-81.5-174.5165.600107.5P58 H62P58-E60 PolarHBondContact O-N 3.02Å; E60-H62 VanDerWaalsContact C-N 3.31Å; E60-H62 PolarHBondContact O-N 3.48Å
61S26.4Very low27Very low119 Ų119138 Ų13883%0.83277%0.772SS**  trans-4888.1167.752.20000111.5N59N59-S61 PolarHBondContact O-N 3.15Å
62H31.4Very low26.8Very low162 Ų162139.9 Ų139.975%0.7578%0.775SS**  trans-110.3121.9161.3-71.1-39.9000107.6E60E60-H62 VanDerWaalsContact C-N 3.31Å; E60-H62 PolarHBondContact O-N 3.48Å
63G25.2Very low26.6Very low64 Ų64137.6 Ų137.666%0.6677%0.768SS**  trans-53.2154.9-16900000113.8N65G63-N65 PolarHBondContact O-N 3.49Å
64P28.9Very low26.4Very low116 Ų116134 Ų13475%0.75376%0.764SS**SBendtrans-63.6138.7174.531.3-32.2000107.4
65N30.8Very low26.2Very low152 Ų152132 Ų13281%0.81376%0.759SS**  trans127.235.2165.4-58.9-23.3000116.3G63 P67G63-N65 PolarHBondContact O-N 3.49Å; N65-P67 WeakPolarHBondContact O-CD 3.33Å
66I26.4Very low26.2Very low154 Ų154132.5 Ų132.579%0.7975%0.754SS**  trans-105.3100.4154-54.1179.7000107.7V68I66-V68 PolarHBondContact O-N 2.72Å
67P26.6Very low26.2Very low102 Ų102126.7 Ų126.766%0.66276%0.755SS**  trans-64.8110.9171.525.7-30.4000108.2N65 L69N65-P67 WeakPolarHBondContact O-CD 3.33Å; P67-L69 VanDerWaalsContact C-N 3.26Å; P67-L69 PolarHBondContact O-N 2.84Å
68V24.8Very low26.2Very low125 Ų125123 Ų12376%0.75875%0.749SS**  trans-66.593.4165.9179.50000106.4I66 T70I66-V68 PolarHBondContact O-N 2.72Å; V68-T70 PolarHBondContact O-N 2.68Å; V68-T70 PolarHBondContact O-OG1 2.91Å
69L23.1Very low26.1Very low162 Ų162127.1 Ų127.185%0.84876%0.756SS**  trans-63.886.4171.7-83.9156.9000108.3P67 A71P67-L69 VanDerWaalsContact C-N 3.26Å; P67-L69 PolarHBondContact O-N 2.84Å; L69-A71 PolarHBondContact O-N 3.02Å; L69-A71 VanDerWaalsContact O-N 3.12Å
70T22.9Very low26.1Very low108 Ų108126.8 Ų126.866%0.66375%0.749SS**  trans-76.996167.6-40.30000105.7V68 I72V68-T70 PolarHBondContact O-N 2.68Å; V68-T70 PolarHBondContact O-OG1 2.91Å; T70-I72 VanDerWaalsContact C-N 3.28Å; T70-I72 PolarHBondContact O-N 2.72Å
71A22.7Very low25.9Very low88 Ų88127.3 Ų127.373%0.72776%0.755SS**  trans-6790.1174.300000108.8L69 V73L69-A71 PolarHBondContact O-N 3.02Å; L69-A71 VanDerWaalsContact O-N 3.12Å; A71-V73 HydrophobicContact CB-CG2 4.43Å; A71-V73 PolarHBondContact O-N 3.14Å
72I24Very low25.9Very low155 Ų155127.9 Ų127.980%0.79575%0.748SS**  trans-74.680.9166.5-56.1172.1000106T70 G74T70-I72 VanDerWaalsContact C-N 3.28Å; T70-I72 PolarHBondContact O-N 2.72Å; I72-G74 PolarHBondContact O-N 3.5Å; I72-G74 VanDerWaalsContact O-N 3.1Å
73V24.9Very low25.8Very low116 Ų116124.8 Ų124.870%0.70374%0.742SS**  trans-70.1104.9167.2179.40000105.9A71 L75A71-V73 HydrophobicContact CB-CG2 4.43Å; A71-V73 PolarHBondContact O-N 3.14Å; V73-L75 PolarHBondContact O-N 3.33Å
74G21.9Very low26Very low64 Ų64127.8 Ų127.866%0.6675%0.753SS**  trans-61.396178.100000110.1I72 P76I72-G74 PolarHBondContact O-N 3.5Å; I72-G74 VanDerWaalsContact O-N 3.1Å; G74-P76 WeakPolarHBondContact O-CD 3.3Å
75L24.1Very low26Very low156 Ų156125.5 Ų125.582%0.81775%0.75SS**  trans-61.4123.2167.2-76.8157.8000107.9V73 A77V73-L75 PolarHBondContact O-N 3.33Å; L75-A77 PolarHBondContact O-N 2.95Å
76P26.1Very low25.8Very low100 Ų100123.7 Ų123.765%0.64974%0.744SS**  trans-58.8132.6161.324.4-30000107.3G74 V78G74-P76 WeakPolarHBondContact O-CD 3.3Å; P76-V78 HydrophobicContact CB-CG2 4.39Å; P76-V78 HydrophobicContact CG-CG2 4.33Å; P76-V78 PolarHBondContact O-N 3.39Å
77A26.9Very low25.8Very low108 Ų108122.4 Ų122.489%0.89374%0.744SS**  trans-66.668.117800000110.6L75 K79L75-A77 PolarHBondContact O-N 2.95Å; A77-K79 PolarHBondContact O-N 3.4Å
78V26.6Very low25.8Very low116 Ų116128.7 Ų128.770%0.70376%0.755SS**  trans-77115168.3-175.10000105.1P76 Q80P76-V78 HydrophobicContact CB-CG2 4.39Å; P76-V78 HydrophobicContact CG-CG2 4.33Å; P76-V78 PolarHBondContact O-N 3.39Å; V78-Q80 PolarHBondContact O-N 2.84Å
79K26.9Very low25.8Very low187 Ų187130.6 Ų130.681%0.81376%0.76SS**  trans-42.4101.2172.9-72.3172.5176.1175.60108.8A77 I81A77-K79 PolarHBondContact O-N 3.4Å; K79-I81 PolarHBondContact O-N 2.93Å
80Q27.5Very low26Very low166 Ų166131.7 Ų131.778%0.77676%0.757SS**  trans-6792.9167.2-80.9-175.9-13.800106.4V78 L82V78-Q80 PolarHBondContact O-N 2.84Å; Q80-L82 PolarHBondContact O-N 3.35Å
81I26.3Very low26.2Very low153 Ų153131.9 Ų131.979%0.78576%0.761SS**  trans-70.880.9159.4-57.5169.6000104.1K79 P83K79-I81 PolarHBondContact O-N 2.93Å; I81-P83 WeakPolarHBondContact O-CD 3.49Å
82L26.1Very low26.2Very low132 Ų132135.4 Ų135.469%0.69177%0.766SS**  trans-62.4119.7165.2-84.1153.6000105.9Q80 S84Q80-L82 PolarHBondContact O-N 3.35Å; L82-S84 PolarHBondContact O-N 2.91Å; L82-S84 VanDerWaalsContact O-N 3.12Å
83P29.3Very low26.2Very low97 Ų97134 Ų13463%0.6377%0.765SS**  trans-56.6123176.319.8-28.6000108.6I81 G85I81-P83 WeakPolarHBondContact O-CD 3.49Å; P83-G85 PolarHBondContact O-N 3.46Å
84S30.2Very low26.2Very low127 Ų127135.3 Ų135.389%0.88877%0.767SS**THydrogen-bonded Turntrans-54.1109.3175.755.30000109L82L82-S84 PolarHBondContact O-N 2.91Å; L82-S84 VanDerWaalsContact O-N 3.12Å
85G27.1Very low26.5Very low67 Ų67138 Ų13869%0.69177%0.772SS**THydrogen-bonded Turntrans159.9-19.9176.500000115.8P83 T87P83-G85 PolarHBondContact O-N 3.46Å; G85-T87 PolarHBondContact O-N 3.45Å
86V26.9Very low26.6Very low114 Ų114140.2 Ų140.269%0.69178%0.776SS**  trans-88.278.1-178.4-163.60000110.7R88V86-R88 PolarHBondContact O-N 3.37Å
87T27.9Very low26.8Very low127 Ų127141 Ų14178%0.77978%0.783SS**  trans-67.7113.1166.844.60000110.3G85G85-T87 PolarHBondContact O-N 3.45Å
88R26.6Very low26.8Very low235 Ų235141.4 Ų141.489%0.88778%0.78SS**  trans47.891.2155-60.8-173.7178.9-162.20.1115.9V86 K90V86-R88 PolarHBondContact O-N 3.37Å; R88-K90 PolarHBondContact O-N 3.26Å
89L24.9Very low26.9Very low165 Ų165140.5 Ų140.586%0.86479%0.785SS**  trans-59.4104.1157.1-70.9167.1000108.6
90K26.8Very low27Very low185 Ų185139.9 Ų139.980%0.80479%0.789SS**  trans-64.3132.6168.4-82.3178.1177.5172.90108.1R88 L92R88-K90 PolarHBondContact O-N 3.26Å; K90-L92 PolarHBondContact O-N 2.93Å
91P26.3Very low26.9Very low112 Ų112135.1 Ų135.173%0.72779%0.785SS**  trans-61122.9173.124-30.9000109.2V93P91-V93 PolarHBondContact O-N 2.68Å
92L22.3Very low27Very low161 Ų161136.4 Ų136.484%0.84379%0.788SS**  trans-63.1100.4168.5-101.1102000108K90 L94K90-L92 PolarHBondContact O-N 2.93Å; L92-L94 PolarHBondContact O-N 3.27Å
93V24.6Very low27.2Very low127 Ų127136.8 Ų136.877%0.7780%0.795SS**  trans-80101.1167.3-179.90000106.5P91P91-V93 PolarHBondContact O-N 2.68Å
94L24.5Very low26.9Very low143 Ų143139.7 Ų139.775%0.74981%0.805SS**PPolyproline II helixtrans-61.1126170.4-71.2165.8000108.6L92 K96L92-L94 PolarHBondContact O-N 3.27Å; L94-K96 PolarHBondContact O-N 2.92Å
95P28.4Very low27.1Very low119 Ų119139.7 Ų139.777%0.77380%0.802SS**PPolyproline II helixtrans-64.1126.2177.724.4-30.6000109.4S97P95-S97 PolarHBondContact O-N 3.48Å
96K27.1Very low27Very low204 Ų204142.4 Ų142.489%0.88781%0.805SS**PPolyproline II helixtrans-55.3124.1169.9-79.4177.4175.7176.10108.5L94 S98L94-K96 PolarHBondContact O-N 2.92Å; K96-S98 PolarHBondContact O-N 3.43Å
97S28.9Very low27Very low116 Ų116145.3 Ų145.381%0.81181%0.811SS**  trans-58.4100.8168.953.30000108.8P95 A99P95-S97 PolarHBondContact O-N 3.48Å; S97-A99 PolarHBondContact O-N 2.84Å
98S28.2Very low26.9Very low116 Ų116147 Ų14781%0.81182%0.815SS**  trans-63125.2167.3-115.20000108.1K96 L100K96-S98 PolarHBondContact O-N 3.43Å; S98-L100 PolarHBondContact O-N 3.33Å
99A27.2Very low26.9Very low98 Ų98138.8 Ų138.881%0.8180%0.803SS**  trans-55.6114.6176.600000111S97S97-A99 PolarHBondContact O-N 2.84Å
100L30.3Very low26.9Very low174 Ų174138.2 Ų138.291%0.91181%0.807SS**  trans-136.459.7158.1-102.4145.7000107S98S98-L100 PolarHBondContact O-N 3.33Å
101G25.7Very low26.8Very low66 Ų66132.7 Ų132.768%0.6880%0.802SS**  trans-88.2110.8151.700000106.8
102Q28.2Very low26.8Very low180 Ų180132.1 Ų132.184%0.84180%0.801SS**  trans171.992.6149.1-97.9-17868.500108.8
103T28.9Very low26.9Very low139 Ų139130.1 Ų130.185%0.85380%0.8SS**  trans-170.188.614138.70000107.3P105T103-P105 WeakPolarHBondContact O-CD 3.25Å
104L24.5Very low27Very low158 Ų158130.1 Ų130.183%0.82780%0.801SS**  trans-66.8128.8159.1-85.195.1000107.9T106L104-T106 PolarHBondContact O-N 2.94Å
105P33.7Very low27Very low127 Ų127128.4 Ų128.483%0.82580%0.8SS**  trans-86.5103.4159.2811.2000107.9T103T103-P105 WeakPolarHBondContact O-CD 3.25Å
106T25.8Very low26.9Very low125 Ų125133.4 Ų133.477%0.76780%0.804SS**  trans-74.8116.5159.945.80000108.2L104L104-T106 PolarHBondContact O-N 2.94Å
107H27.2Very low26.9Very low174 Ų174130 Ų13081%0.80680%0.8SS**  trans-14597.2160.6-147-68.7000109.3
108D24.3Very low26.9Very low164 Ų164129.5 Ų129.588%0.87780%0.797SS**  trans-61.1134.9154.8-83.7-42.9000108.4
109G27Very low26.8Very low61 Ų61131.8 Ų131.863%0.62980%0.8SS**  trans173.872-176.200000112.5G111G109-G111 PolarHBondContact O-N 3.11Å
110T25.4Very low27Very low154 Ų154133 Ų13395%0.94580%0.797SS**  trans-47.7121.5158.443.10000111
111G24.7Very low26.8Very low69 Ų69127.7 Ų127.771%0.71178%0.784SS**  trans162.6111.5167.600000116.1G109G109-G111 PolarHBondContact O-N 3.11Å
112S24.9Very low26.9Very low99 Ų99131.5 Ų131.569%0.69279%0.787SS**  trans75.9109150.2135.90000118V114S112-V114 PolarHBondContact O-N 3.29Å
113S25.2Very low26.8Very low119 Ų119131.5 Ų131.583%0.83279%0.79SS**  trans-40.8114.3150.451.70000112.9
114V27.5Very low26.9Very low128 Ų128132.9 Ų132.978%0.77679%0.791SS**  trans-123.796.2159.1-178.30000107.8S112S112-V114 PolarHBondContact O-N 3.29Å
115S23.3Very low27.1Very low106 Ų106129.5 Ų129.574%0.74179%0.785SS**  trans-63.9125.3157.4-72.10000108.9
116R26.9Very low26.8Very low225 Ų225131 Ų13185%0.84979%0.787SS**  trans164.8106.4137.2-89.9161.8-177.3-1560.5110.8
117T27.1Very low27.1Very low133 Ų133134.5 Ų134.582%0.81679%0.791SS**  30.4106.2129.759.20000117.3
118S28.9Very low27.3Very low104 Ų104131 Ų13173%0.72779%0.786SS**  trans-145.5110.5138.4510000108.9V120S118-V120 PolarHBondContact O-N 3.27Å; S118-V120 VanDerWaalsContact O-N 3.08Å
119D27.1Very low27.4Very low165 Ų165128.8 Ų128.888%0.88278%0.779SS**  trans-58.3101.4164.4-68.1-57.2000108.6G121D119-G121 PolarHBondContact O-N 2.83Å
120V29.6Very low27.7Very low123 Ų123131.7 Ų131.775%0.74579%0.786SS**  trans-90.775.6163.4-1720000107S118 I122S118-V120 PolarHBondContact O-N 3.27Å; S118-V120 VanDerWaalsContact O-N 3.08Å; V120-I122 PolarHBondContact O-N 3.25Å
121G26Very low27.8Very low62 Ų62131.3 Ų131.364%0.63978%0.779SS**  trans-64.3110.316400000108.8D119 M123D119-G121 PolarHBondContact O-N 2.83Å; G121-M123 PolarHBondContact O-N 2.76Å; G121-M123 VanDerWaalsContact O-N 3.08Å
122I28.4Very low27.9Very low147 Ų147135.6 Ų135.675%0.75478%0.784SS**  trans-75.797.5169.7-57.7173.9000106.5V120 L124V120-I122 PolarHBondContact O-N 3.25Å; I122-L124 PolarHBondContact O-N 3.46Å; I122-L124 VanDerWaalsContact O-N 3.11Å
123M26.1Very low28Very low180 Ų180136.5 Ų136.589%0.88779%0.79SS**  trans-61.2105169.6-70.7177.662.200109.4G121 A125G121-M123 PolarHBondContact O-N 2.76Å; G121-M123 VanDerWaalsContact O-N 3.08Å; M123-A125 PolarHBondContact O-N 2.9Å
124L30.7Very low28Very low167 Ų167139.5 Ų139.587%0.87479%0.791SS**  trans-83.4110.2164.3-84.6160.3000108I122I122-L124 PolarHBondContact O-N 3.46Å; I122-L124 VanDerWaalsContact O-N 3.11Å
125A29.8Very low28Very low87 Ų87137.8 Ų137.872%0.71979%0.79SS**  trans-56.9132.3-175.300000113.3M123 K127M123-A125 PolarHBondContact O-N 2.9Å; A125-K127 PolarHBondContact O-N 3.44Å
126D27.7Very low28Very low159 Ų159141.8 Ų141.885%0.8580%0.797SS**  trans-5698.9163.1-76.3-41.9000110.4
127K31.2Very low27.9Very low199 Ų199139.3 Ų139.387%0.86580%0.795SS**  trans-97.878.7158.9-83.4-175.6176.2179.50108.8A125 T129A125-K127 PolarHBondContact O-N 3.44Å; K127-T129 PolarHBondContact O-N 2.91Å
128S30.8Very low28Very low99 Ų99139 Ų13969%0.69280%0.795SS**  trans-61.2111.7155.648.10000109.1
129T27.8Very low27.9Very low119 Ų119142 Ų14273%0.7380%0.801SS**  trans165.380.4146.937.40000108.5K127 N131K127-T129 PolarHBondContact O-N 2.91Å; T129-N131 PolarHBondContact O-N 3.11Å; T129-N131 VanDerWaalsContact O-N 3.13Å
130P32.2Very low28Very low121 Ų121137.2 Ų137.279%0.78679%0.791SS**  trans-67.9109.6156.929.1-27.2000106.1L132P130-L132 VanDerWaalsContact C-N 3.33Å; P130-L132 PolarHBondContact O-N 3.15Å
131N28.2Very low27.9Very low147 Ų147138.6 Ų138.679%0.78679%0.794SS**  trans-54.6102.4168.2-85.8-38.8000107.8T129 C133T129-N131 PolarHBondContact O-N 3.11Å; T129-N131 VanDerWaalsContact O-N 3.13Å; N131-C133 PolarHBondContact O-N 2.83Å
132L26.9Very low27.8Very low158 Ų158140.7 Ų140.783%0.82780%0.799SS**  trans-6986.3171.6-150.499.4000106P130 Q134P130-L132 VanDerWaalsContact C-N 3.33Å; P130-L132 PolarHBondContact O-N 3.15Å; L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.34Å
133C25.7Very low27.7Very low119 Ų119139.2 Ų139.280%0.80480%0.802SS**  trans-62.4102.5169.6-76.50000107.4N131 A135N131-C133 PolarHBondContact O-N 2.83Å; C133-A135 VanDerWaalsContact C-N 3.33Å; C133-A135 PolarHBondContact O-N 3.21Å
134Q25.4Very low27.7Very low182 Ų182136.2 Ų136.285%0.8580%0.799SS**  trans-53.196166.8-73.6177.1-16.900108.6L132 Q136L132-Q134 VanDerWaalsContact C-N 3.34Å; L132-Q134 PolarHBondContact O-N 3.34Å; Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3.35Å; Q134-Q136 VanDerWaalsContact O-N 3.08Å
135A27.2Very low27.6Very low92 Ų92133.9 Ų133.976%0.7680%0.797SS**  trans-73.299.2161.700000106.5C133 Q137C133-A135 VanDerWaalsContact C-N 3.33Å; C133-A135 PolarHBondContact O-N 3.21Å; A135-Q137 PolarHBondContact O-N 3.3Å; A135-Q137 VanDerWaalsContact O-N 3.07Å
136Q24.1Very low27.4Very low190 Ų190133.3 Ų133.389%0.88880%0.799SS**  trans-41.1109172.7-132.5158.5-3.600110Q134Q134-Q136 VanDerWaalsContact C-N 3.33Å; Q134-Q136 PolarHBondContact O-N 3.35Å; Q134-Q136 VanDerWaalsContact O-N 3.08Å
137Q24.5Very low27.3Very low172 Ų172130.7 Ų130.780%0.80479%0.793SS**  trans-68.4125.8169.2-69.2-126.4-37.200107.8A135 I139A135-Q137 PolarHBondContact O-N 3.3Å; A135-Q137 VanDerWaalsContact O-N 3.07Å; Q137-I139 PolarHBondContact O-N 2.96Å
138P28.8Very low27.3Very low127 Ų127127.4 Ų127.483%0.82579%0.789SS**  trans-67.9107170.827.3-29.4000107.8G140P138-G140 PolarHBondContact O-N 3.4Å
139I27.2Very low27.1Very low166 Ų166126.7 Ų126.785%0.85179%0.789SS**  trans-67111.1160.9-62.5164.8000105.3Q137Q137-I139 PolarHBondContact O-N 2.96Å
140G29.7Very low27.1Very low66 Ų66127 Ų12768%0.6879%0.791SS**  trans-157111.9-178.800000109.1P138P138-G140 PolarHBondContact O-N 3.4Å
141D27.3Very low26.8Very low151 Ų151125.9 Ų125.981%0.80779%0.792SS**  trans-63.4150.5-162.1-63.4-60.6000115.4
142S24.8Very low26.6Very low106 Ų106129.9 Ų129.974%0.74180%0.796SS**  trans-45.8151.3162.238.90000114.2
143S24.8Very low26.8Very low116 Ų116128.1 Ų128.181%0.81179%0.794SS**  trans89.592.3163.274.30000118
144S27.7Very low26.8Very low117 Ų117127.2 Ų127.282%0.81879%0.789SS**  -169.6124.3128.746.50000111.3G146S144-G146 PolarHBondContact O-N 2.98Å
145S27.8Very low27.1Very low119 Ų119125.7 Ų125.783%0.83279%0.785SS**  trans-3.997.3154.335.60000117.2S147S145-S147 VanDerWaalsContact C-N 3.31Å; S145-S147 PolarHBondContact O-N 2.84Å
146G25.3Very low27.1Very low74 Ų74128.3 Ų128.376%0.76379%0.786SS**  trans-70.784.6161.600000110.9S144 V148S144-G146 PolarHBondContact O-N 2.98Å; G146-V148 PolarHBondContact O-N 2.9Å; G146-V148 VanDerWaalsContact O-N 3.08Å
147S26.4Very low27.3Very low104 Ų104130.4 Ų130.473%0.72779%0.786SS**  trans-61105.6162.5141.10000108.1S145 A149S145-S147 VanDerWaalsContact C-N 3.31Å; S145-S147 PolarHBondContact O-N 2.84Å; S147-A149 VanDerWaalsContact C-N 3.25Å; S147-A149 PolarHBondContact O-N 3.19Å
148V29.9Very low27.4Very low131 Ų131132.8 Ų132.879%0.79479%0.787SS**  trans-70.587.7171.7-175.60000107.7G146 T150G146-V148 PolarHBondContact O-N 2.9Å; G146-V148 VanDerWaalsContact O-N 3.08Å; V148-T150 PolarHBondContact O-N 2.87Å
149A28.1Very low27.3Very low83 Ų83136.9 Ų136.969%0.68679%0.792SS**  trans-64.3102171.100000108.3S147 A151S147-A149 VanDerWaalsContact C-N 3.25Å; S147-A149 PolarHBondContact O-N 3.19Å; A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 2.8Å
150T26.4Very low27.4Very low126 Ų126135.3 Ų135.377%0.77379%0.79SS**  trans-65.691.9170.627.40000108.6V148 R152V148-T150 PolarHBondContact O-N 2.87Å; T150-R152 VanDerWaalsContact C-N 3.31Å; T150-R152 PolarHBondContact O-N 2.71Å
151A26.9Very low27.3Very low98 Ų98135.9 Ų135.981%0.8179%0.789SS**  trans-66.890.5171.800000109.2A149A149-A151 VanDerWaalsContact C-N 3.32Å; A149-A151 PolarHBondContact O-N 2.8Å
152R24.5Very low27.4Very low231 Ų231134.9 Ų134.987%0.87279%0.79SS**  trans-60.3125.5169-83.5-179.1163.7179.4-3.3108.8T150 S154T150-R152 VanDerWaalsContact C-N 3.31Å; T150-R152 PolarHBondContact O-N 2.71Å; R152-S154 PolarHBondContact O-N 2.92Å
153P29.3Very low27.6Very low120 Ų120135.2 Ų135.278%0.77979%0.792SS**  trans-66.7109.6176.824.7-30.8000109.6I155P153-I155 PolarHBondContact O-N 3.44Å
154S26.9Very low27.8Very low101 Ų101135.5 Ų135.571%0.70679%0.789SS**  trans-76113.3173.263.90000109.5R152 L156R152-S154 PolarHBondContact O-N 2.92Å; S154-L156 PolarHBondContact O-N 3.28Å
155I30.6Very low27.8Very low149 Ų149134.7 Ų134.776%0.76479%0.79SS**  trans-73.694.6174.2-61.1164.3000106.9P153 R157P153-I155 PolarHBondContact O-N 3.44Å; I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 HydrophobicContact CG2-CG 4.48Å; I155-R157 PolarHBondContact O-N 3.41Å
156L27.8Very low27.8Very low147 Ų147134.7 Ų134.777%0.7779%0.785SS**  trans-62.692.4170.5-91.5127.6000109.8S154 R158S154-L156 PolarHBondContact O-N 3.28Å; L156-R158 PolarHBondContact O-N 3.41Å
157R28Very low27.9Very low235 Ų235137.6 Ų137.689%0.88779%0.788SS**  trans-67.889.6168.1-73-179.4163.7175.9-4.3108.9I155 K159I155-R157 VanDerWaalsContact C-N 3.33Å; I155-R157 HydrophobicContact CG2-CG 4.48Å; I155-R157 PolarHBondContact O-N 3.41Å; R157-K159 PolarHBondContact O-N 2.91Å
158R27.1Very low27.8Very low221 Ų221141 Ų14183%0.83479%0.79SS**  trans-67.7112.3167.2-74.7-174.9-166.91634.6108.8L156 V160L156-R158 PolarHBondContact O-N 3.41Å; R158-V160 PolarHBondContact O-N 3.43Å; R158-V160 VanDerWaalsContact O-N 3.12Å
159K27.6Very low27.8Very low213 Ų213140.4 Ų140.493%0.92679%0.789SS**  trans-59.8106160.9-97178.7170.4178.90107.6R157R157-K159 PolarHBondContact O-N 2.91Å
160V28.6Very low27.8Very low133 Ų133146.1 Ų146.181%0.80680%0.799SS**  trans-93.4111.5166.9-178.40000106.7R158R158-V160 PolarHBondContact O-N 3.43Å; R158-V160 VanDerWaalsContact O-N 3.12Å
161A27.9Very low27.9Very low79 Ų79146 Ų14665%0.65380%0.8SS**  trans-69.1145.9171.800000109.7S163A161-S163 PolarHBondContact O-N 3.43Å
162P28.7Very low28Very low129 Ų129146.8 Ų146.884%0.83880%0.8SS**  trans-68.5103.318026.7-31.9000109.9
163S29Very low28.1Very low113 Ų113147.4 Ų147.479%0.7980%0.802SS**  trans-75.9128.6170.4-1760000109.4A161A161-S163 PolarHBondContact O-N 3.43Å
164T30Very low28Very low122 Ų122152.9 Ų152.975%0.74881%0.807SS**  trans-60.6157.2179.337.70000113.7T166T164-T166 PolarHBondContact O-N 3.42Å
165A27.5Very low28.1Very low100 Ų100153.6 Ų153.683%0.82681%0.81SS**  trans-49.9111.9-175.500000114.1
166T27.5Very low27.8Very low119 Ų119153.3 Ų153.373%0.7382%0.815SS**  trans-94.8107.9164.7250000109.6T164 F168T164-T166 PolarHBondContact O-N 3.42Å; T166-F168 PolarHBondContact O-N 2.87Å
167T26.3Very low27.7Very low136 Ų136153.2 Ų153.283%0.83481%0.814SS**PPolyproline II helixtrans-60119.5172.1-53.80000110.2
168F24.6Very low27.7Very low176 Ų176147.7 Ų147.777%0.77281%0.808SS**PPolyproline II helixtrans-84.4133174-84.5-92.2000110.9T166T166-F168 PolarHBondContact O-N 2.87Å
169P31.2Very low27.6Very low118 Ų118143.7 Ų143.777%0.76681%0.808SS**PPolyproline II helixtrans-71.9129.1173.927.4-30.9000110.8
170F27.2Very low27.6Very low202 Ų202141.7 Ų141.789%0.88680%0.802SS**PPolyproline II helixtrans-62.8125.6174.2-77.5-92000110.6S172F170-S172 PolarHBondContact O-N 2.92Å
171P29.5Very low27.5Very low125 Ų125142 Ų14281%0.81280%0.804SS**PPolyproline II helixtrans-67.4120.9171.423.8-29.1000110.3
172S28.6Very low27.4Very low114 Ų114145.7 Ų145.780%0.79781%0.812SS**PPolyproline II helixtrans-54.4132.1173170.70000111.6F170 R174F170-S172 PolarHBondContact O-N 2.92Å; S172-R174 PolarHBondContact O-N 3.39Å
173R26.5Very low27.3Very low244 Ų244148.5 Ų148.592%0.92181%0.814SS**PPolyproline II helixtrans-57.4118.7179.7-61.4178.6-177.8-1720.2110.5
174R27.5Very low27.3Very low234 Ų234147.8 Ų147.888%0.88381%0.809SS**PPolyproline II helixtrans-79.2141.6162.6-86.8-171.9179.4-163.20.2109.6S172 T176S172-R174 PolarHBondContact O-N 3.39Å; R174-T176 PolarHBondContact O-N 3.47Å
175P28.6Very low27.3Very low117 Ų117150.8 Ų150.876%0.7682%0.815SS**PPolyproline II helixtrans-66.9129.8-17726.3-32.3000111.4I177P175-I177 PolarHBondContact O-N 2.96Å
176T24.8Very low27.2Very low143 Ų143151.8 Ų151.888%0.87781%0.811SS**  trans-64.3112.4172.826.90000110.8R174R174-T176 PolarHBondContact O-N 3.47Å
177I25.2Very low27.2Very low145 Ų145150.4 Ų150.474%0.74481%0.812SS**  trans-84.9137.7162.4-60.9175000106.9P175 V179P175-I177 PolarHBondContact O-N 2.96Å; I177-V179 PolarHBondContact O-N 2.88Å
178P27.8Very low27.4Very low119 Ų119149.5 Ų149.577%0.77381%0.808SS**  trans-68120.7-174.15.84.3000110E180P178-E180 PolarHBondContact O-N 3.43Å
179V25.9Very low27.7Very low137 Ų137145.7 Ų145.783%0.8381%0.809SS**  trans-77.3106.8169.7177.20000106.6I177I177-V179 PolarHBondContact O-N 2.88Å
180E26.8Very low27.6Very low171 Ų171144.6 Ų144.680%0.79980%0.8SS**  trans-53.3137.9168.1-72.1-177.3158.200110.1P178 L182P178-E180 PolarHBondContact O-N 3.43Å; E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 3.05Å
181T26.8Very low27.8Very low138 Ų138140.1 Ų140.185%0.84779%0.789SS**  trans-6382.5-173.745.50000111.8Q183T181-Q183 PolarHBondContact O-N 2.93Å; T181-Q183 VanDerWaalsContact O-N 3.15Å
182L25.1Very low27.7Very low158 Ų158138.4 Ų138.483%0.82778%0.776SS**  trans-73.6104.2163.6-76.9166.1000107.9E180 S184E180-L182 VanDerWaalsContact C-N 3.34Å; E180-L182 PolarHBondContact O-N 3.05Å; L182-S184 PolarHBondContact O-N 2.89Å
183Q27.4Very low27.8Very low187 Ų187137.1 Ų137.187%0.87476%0.763SS**  trans-58.377.8164.8-78.1178.4-25.100109.5T181 Q185T181-Q183 PolarHBondContact O-N 2.93Å; T181-Q183 VanDerWaalsContact O-N 3.15Å; Q183-Q185 VanDerWaalsContact C-N 3.3Å; Q183-Q185 PolarHBondContact O-N 3.39Å
184S28.8Very low27.9Very low99 Ų99130.9 Ų130.969%0.69275%0.753SS**  trans-77.288.2167.962.60000107.8L182 T186L182-S184 PolarHBondContact O-N 2.89Å; S184-T186 PolarHBondContact O-N 3.01Å; S184-T186 PolarHBondContact O-OG1 3.36Å
185Q29.3Very low28.2Very low185 Ų185122.3 Ų122.386%0.86473%0.732SS**  trans-67.779.9160.2-75.6-16712.800108.3Q183 A187Q183-Q185 VanDerWaalsContact C-N 3.3Å; Q183-Q185 PolarHBondContact O-N 3.39Å; Q185-A187 PolarHBondContact O-N 3.29Å; Q185-A187 VanDerWaalsContact O-N 3.11Å
186T26.5Very low28.8Very low121 Ų121124.1 Ų124.174%0.74274%0.735SS**  trans-74.597.2165.4-12.60000106.3S184S184-T186 PolarHBondContact O-N 3.01Å; S184-T186 PolarHBondContact O-OG1 3.36Å
187A27.2Very low29.7Very low90 Ų90124.9 Ų124.974%0.74473%0.733SS**PPolyproline II helixtrans-55.5127.817600000109.6Q185Q185-A187 PolarHBondContact O-N 3.29Å; Q185-A187 VanDerWaalsContact O-N 3.11Å
188P30.6Very low30Very low117 Ų117125.4 Ų125.476%0.7673%0.73SS**PPolyproline II helixtrans-68148.2-176.925.5-31.6000111.8T190P188-T190 PolarHBondContact O-N 3.46Å
189A29.7Very low30.1Very low95 Ų95124.7 Ų124.779%0.78572%0.719SS**PPolyproline II helixtrans-55.7124.9-169.200000114.1V191A189-V191 PolarHBondContact O-N 3.05Å
190T30.8Very low30.3Very low95 Ų95123 Ų12358%0.58371%0.705SS**  trans-70.7114.7175.4-19.40000110.3P188P188-T190 PolarHBondContact O-N 3.46Å
191V31Very low30.4Very low109 Ų109122.8 Ų122.866%0.66170%0.698SS**  trans-85.8116.5171.8-1790000108.6A189 T193A189-V191 PolarHBondContact O-N 3.05Å; V191-T193 HydrophobicContact CG1-CG2 4.49Å
192V26.4Very low30.6Very low88 Ų88119.6 Ų119.653%0.53368%0.68SS.*  trans-93.6105.4178.7-177.70000108.6L199V192-L199 HydrophobicContact CG1-CD2 3.5Å; V192-L199 VanDerWaalsContact CG1-CD2 3.5Å
193T31Very low31Very low87 Ų87118 Ų11853%0.53468%0.677SS.*EExtended strand (participates in β ladder)trans-100.6125.7167.942.80000110.2V191V191-T193 HydrophobicContact CG1-CG2 4.49Å
194V28.4Very low31.3Very low114 Ų114116.4 Ų116.469%0.69168%0.675SS**EExtended strand (participates in β ladder)trans-88.3110175.8-174.60000108
195A33.8Very low31.3Very low54 Ų54113.8 Ų113.845%0.44666%0.663SS.*EExtended strand (participates in β ladder)trans-123.5125.9170.400000109.1D197 K198A195-D197 PolarHBondContact O-N 3.02Å; A195-K198 PolarHBondContact O-N 3.45Å
196N41.7Very low31.4Very low155 Ų155110.8 Ų110.883%0.82966%0.66SS**THydrogen-bonded Turntrans46.857.2172.9-65.2-3.2000114.9K198N196-K198 PolarHBondContact O-N 3.33Å
197D42.9Very low31.7Very low158 Ų158113.4 Ų113.485%0.84567%0.668SS**THydrogen-bonded Turntrans5616.3174.1-62-25.3000115.9A195A195-D197 PolarHBondContact O-N 3.02Å
198K31.9Very low31.9Very low156 Ų156113.8 Ų113.868%0.67867%0.665SS**EExtended strand (participates in β ladder)trans-123.2120.9173.7-66.7-176.9-177.9179.40110A195 N196 I200A195-K198 PolarHBondContact O-N 3.45Å; N196-K198 PolarHBondContact O-N 3.33Å; K198-I200 PolarHBondContact O-N 3.25Å
199L30.4Very low31.8Very low104 Ų104113.7 Ų113.755%0.54567%0.667SS.*EExtended strand (participates in β ladder)trans-69.3110.8167.6-76.5160.6000108.1V192 Y201V192-L199 HydrophobicContact CG1-CD2 3.5Å; V192-L199 VanDerWaalsContact CG1-CD2 3.5Å; L199-Y201 HydrophobicContact CB-CE2 4.26Å
200I30.6Very low31.7Very low102 Ų102112.8 Ų112.852%0.52366%0.66SS.*EExtended strand (participates in β ladder)trans-98.3115172.1-57.7177.3000107.2K198 C202K198-I200 PolarHBondContact O-N 3.25Å; I200-C202 PolarHBondContact O-N 3.34Å
201Y27.9Very low31.5Very low166 Ų166115.4 Ų115.465%0.65167%0.671SS**  trans-82.4103.8172.8-67.6-91.8000108.6L199 V203L199-Y201 HydrophobicContact CB-CE2 4.26Å; Y201-V203 PolarHBondContact O-N 2.94Å
202C31.6Very low31.4Very low71 Ų71118.5 Ų118.548%0.4868%0.682SS.*  trans-81.9103.5169.1-64.10000108.2I200I200-C202 PolarHBondContact O-N 3.34Å
203V32.7Very low31.5Very low125 Ų125119 Ų11976%0.75869%0.689SS**  trans-91.7102.5169.2-177.80000106.6Y201 G205Y201-V203 PolarHBondContact O-N 2.94Å; V203-G205 PolarHBondContact O-N 2.95Å
204D33Very low31.4Very low154 Ų154119.6 Ų119.682%0.82470%0.703SS**  trans-73.369.8168.1-76.1-22.9000108.5
205G29.2Very low31.3Very low44 Ų44122.5 Ų122.545%0.45471%0.709SS.*  trans-67.4134.6167.800000108.4V203 L207V203-G205 PolarHBondContact O-N 2.95Å; G205-L207 PolarHBondContact O-N 3.3Å; G205-L207 VanDerWaalsContact O-N 3.15Å
206P32.7Very low31Very low122 Ų122129.8 Ų129.879%0.79273%0.731SS**  trans-56.4126.8171.323.6-30.9000107.9S208P206-S208 PolarHBondContact O-N 3.01Å
207L31.5Very low30.6Very low175 Ų175130.5 Ų130.592%0.91673%0.733SS**  trans-62.874.3165.8-68.3168.6000107.5G205 S209G205-L207 PolarHBondContact O-N 3.3Å; G205-L207 VanDerWaalsContact O-N 3.15Å; L207-S209 PolarHBondContact O-N 3.43Å
208S31.3Very low30Very low98 Ų98131.6 Ų131.669%0.68573%0.733SS**  trans-70.3104.1173.1-171.30000105.9P206 A210P206-S208 PolarHBondContact O-N 3.01Å; S208-A210 PolarHBondContact O-N 3.48Å
209S28.1Very low29.7Very low115 Ų115132.9 Ų132.980%0.80474%0.742SS**  trans-66.266.9164.727.60000108.1L207 N211L207-S209 PolarHBondContact O-N 3.43Å; S209-N211 PolarHBondContact O-N 3.47Å
210A29.6Very low29.9Very low77 Ų77133.2 Ų133.264%0.63675%0.75SS**  trans-81.1107.117100000107.1S208 I212S208-A210 PolarHBondContact O-N 3.48Å; A210-I212 PolarHBondContact O-N 3.28Å
211N26.5Very low29.7Very low149 Ų149137.3 Ų137.380%0.79777%0.767SS**  trans-42.6130.1172-69.7-47.5000110.8S209 S213S209-N211 PolarHBondContact O-N 3.47Å; N211-S213 PolarHBondContact O-N 3.49Å
212I27.8Very low30Very low174 Ų174136.9 Ų136.989%0.89278%0.775SS**  trans-6885.5169.6-57.3159.9000106.4A210A210-I212 PolarHBondContact O-N 3.28Å
213S29.4Very low30Very low98 Ų98139.6 Ų139.669%0.68579%0.79SS**  trans-87.6104164.549.70000107.7N211 E215N211-S213 PolarHBondContact O-N 3.49Å; S213-E215 VanDerWaalsContact C-N 3.28Å; S213-E215 PolarHBondContact O-N 2.71Å
214A27.4Very low29.8Very low100 Ų100142 Ų14283%0.82679%0.793SS**  trans-68.584172.500000109.6
215E28Very low29.6Very low176 Ų176141.7 Ų141.782%0.82279%0.791SS**  trans-92.3102.7171.6-137168.9-164.200108.6S213 L217S213-E215 VanDerWaalsContact C-N 3.28Å; S213-E215 PolarHBondContact O-N 2.71Å; E215-L217 PolarHBondContact O-N 2.73Å
216K27.3Very low29.8Very low207 Ų207146.4 Ų146.490%0.981%0.806SS**  trans-57.2109.9163.6-86.7175.6167.4-179.20107.6
217L31.8Very low29.6Very low169 Ų169144.3 Ų144.389%0.88581%0.807SS**  trans-119.1126.4163.5-152.977000108.6E215E215-L217 PolarHBondContact O-N 2.73Å
218E30.9Very low29.7Very low181 Ų181145.9 Ų145.985%0.84680%0.802SS**  trans-64.5150.5-166.7-65.3178.8139.700113.9P220E218-P220 WeakPolarHBondContact O-CD 3.34Å
219E26.9Very low29.7Very low184 Ų184150.4 Ų150.486%0.8681%0.809SS**  trans-58.4126.4172.7-70.8174.9135.700111.9Q221E219-Q221 PolarHBondContact O-N 2.93Å
220P32.8Very low29.9Very low111 Ų111149.3 Ų149.372%0.72181%0.807SS**  trans-81112.6154.322.9-13.6000108.8E218 L222E218-P220 WeakPolarHBondContact O-CD 3.34Å; P220-L222 PolarHBondContact O-N 3.13Å; P220-L222 VanDerWaalsContact O-N 3.07Å
221Q28.1Very low30.2Very low188 Ų188150.9 Ų150.988%0.87981%0.814SS**  trans-58.9105.4164-70.8-174.5-26.800109E219E219-Q221 PolarHBondContact O-N 2.93Å
222L34.3Very low30.6Very low156 Ų156148.3 Ų148.382%0.81781%0.808SS**  trans-114.6119.4164.3-80.5168.5000109.5P220P220-L222 PolarHBondContact O-N 3.13Å; P220-L222 VanDerWaalsContact O-N 3.07Å
223T30.7Very low30.9Very low128 Ų128148.8 Ų148.879%0.78581%0.806SS**  trans-44.113617841.60000115.2
224E28.2Very low31.3Very low175 Ų175155 Ų15582%0.81881%0.814SS**SBendtrans-6.2143.4151.8-63.3174.4161.200118.9
225N29.7Very low31.9Very low148 Ų148159.7 Ų159.779%0.79182%0.816SS**  trans87.482.5165.9-56-33.5000116.3
226D33.6Very low32.4Very low144 Ų144162.4 Ų162.477%0.7782%0.819SS**  -154.8121.8127-93.4-34.2000110Y228D226-Y228 HydrophobicContact CB-CD2 4.2Å; D226-Y228 HydrophobicContact CB-CE2 4.34Å; D226-Y228 PolarHBondContact O-N 3.42Å
227G28.9Very low33Very low78 Ų78158.7 Ų158.780%0.80482%0.816SS**  trans-70.560.4-174.900000113.6F229G227-F229 PolarHBondContact O-N 2.99Å
228Y32.1Very low33.4Very low208 Ų208161.8 Ų161.882%0.81682%0.816SS**  trans-71.5101.6163.6-80.9-85.1000108.3D226 A230D226-Y228 HydrophobicContact CB-CD2 4.2Å; D226-Y228 HydrophobicContact CB-CE2 4.34Å; D226-Y228 PolarHBondContact O-N 3.42Å; Y228-A230 PolarHBondContact O-N 2.93Å
229F31.4Very low33.9Very low192 Ų192162.9 Ų162.984%0.84282%0.818SS**  trans-50.693.7159.4-90.1-96000108G227 S231G227-F229 PolarHBondContact O-N 2.99Å; F229-S231 PolarHBondContact O-N 3.31Å
230A33.2Very low34.3Very low92 Ų92162.7 Ų162.776%0.7682%0.817SS**  trans-57.594.7162.500000105.6Y228 S232Y228-A230 PolarHBondContact O-N 2.93Å; A230-S232 PolarHBondContact O-N 3.01Å
231S34.5Very low34.5Very low111 Ų111166.5 Ų166.578%0.77683%0.825SS**  trans-61.492.8169-64.20000105F229 E233F229-S231 PolarHBondContact O-N 3.31Å; S231-E233 PolarHBondContact O-N 2.82Å
232S35.5Very low35.1Very low95 Ų95165.2 Ų165.266%0.66482%0.823SS**  trans-52.8117-175.178.30000106.9A230 R234A230-S232 PolarHBondContact O-N 3.01Å; S232-R234 VanDerWaalsContact C-N 3.29Å; S232-R234 PolarHBondContact O-N 3.38Å
233E34.8Very low35.1Very low183 Ų183159.7 Ų159.786%0.85580%0.804SS**  trans-51.4103167.5-71.8-173.6146.600106.6S231 K235S231-E233 PolarHBondContact O-N 2.82Å; E233-K235 VanDerWaalsContact C-N 3.26Å; E233-K235 PolarHBondContact O-N 3.41Å
234R37.7Very low35.4Very low228 Ų228161.1 Ų161.186%0.8681%0.807SS**  trans-61.4100.8173.3-73.2-174.6-177.6-159.71105.1S232 R236S232-R234 VanDerWaalsContact C-N 3.29Å; S232-R234 PolarHBondContact O-N 3.38Å; R234-R236 PolarHBondContact O-N 2.8Å
235K39.1Very low35.7Very low199 Ų199162.2 Ų162.287%0.86581%0.809SS**  trans-41.7109.1172.3-75.8-174.2175.7177.70107.2E233E233-K235 VanDerWaalsContact C-N 3.26Å; E233-K235 PolarHBondContact O-N 3.41Å
236R38.2Very low36Very low234 Ų234159.4 Ų159.488%0.88380%0.801SS**  trans-53.8129.6175.2-69179.7177.4169-0.1107R234 R238R234-R236 PolarHBondContact O-N 2.8Å; R236-R238 PolarHBondContact O-N 3.12Å; R236-R238 VanDerWaalsContact O-N 3.15Å
237P40.7Very low36.4Very low128 Ų128159 Ų15983%0.83180%0.799SS**  trans-54.6126.8-178.618.9-28.9000108.8K239P237-K239 PolarHBondContact O-N 3.23Å
238R39.9Very low36.7Very low234 Ų234166.2 Ų166.288%0.88380%0.802SS**  trans-44.9133.5173.3-89.5178166.3136.1-5.1108.3R236 Q240R236-R238 PolarHBondContact O-N 3.12Å; R236-R238 VanDerWaalsContact O-N 3.15Å; R238-Q240 VanDerWaalsContact C-N 3.35Å; R238-Q240 PolarHBondContact O-N 3.3Å
239K40.7Very low36.9Very low204 Ų204162.5 Ų162.589%0.88780%0.801SS**  trans-35.798.4169-71.7177.2175.8179.60109P237 Q241P237-K239 PolarHBondContact O-N 3.23Å; K239-Q241 PolarHBondContact O-N 3.33Å; K239-Q241 VanDerWaalsContact O-N 3.12Å
240Q37Very low37.4Very low181 Ų181160 Ų16085%0.84680%0.796SS**  trans-62.1118.5163.9-93.6179.1-20.400104.5R238 L242R238-Q240 VanDerWaalsContact C-N 3.35Å; R238-Q240 PolarHBondContact O-N 3.3Å; Q240-L242 VanDerWaalsContact C-N 3.31Å; Q240-L242 PolarHBondContact O-N 3.01Å
241Q35.5Very low37.3Very low190 Ų190166.5 Ų166.589%0.88880%0.801SS**  trans-51.7104.1164.3-70.1173.1-24.100105.7K239 G243K239-Q241 PolarHBondContact O-N 3.33Å; K239-Q241 VanDerWaalsContact O-N 3.12Å; Q241-G243 PolarHBondContact O-N 3.49Å
242L41.1Very low37.4Very low161 Ų161167 Ų16784%0.84380%0.802SS**  trans-67.384.9161.9-93146.7000104.7Q240 D244Q240-L242 VanDerWaalsContact C-N 3.31Å; Q240-L242 PolarHBondContact O-N 3.01Å; L242-D244 PolarHBondContact O-N 3.35Å
243G33.6Very low37.5Very low40 Ų40168.6 Ų168.641%0.41281%0.808SS.*  trans-58.6122.9166.300000107.8Q241 F245Q241-G243 PolarHBondContact O-N 3.49Å; G243-F245 PolarHBondContact O-N 2.92Å
244D37.1Very low37.5Very low159 Ų159165.2 Ų165.285%0.8580%0.804SS**  trans33.761.6131.9-51.9-25.3000115.5L242 S246L242-D244 PolarHBondContact O-N 3.35Å; D244-S246 PolarHBondContact O-N 3.46Å; D244-S246 VanDerWaalsContact O-N 3.11Å
245F36.1Very low37.3Very low198 Ų198160.8 Ų160.887%0.86880%0.798SS**  trans-81.168.4151.2-77-79.3000108G243G243-F245 PolarHBondContact O-N 2.92Å
246S36.4Very low37.2Very low88 Ų88161.1 Ų161.162%0.61580%0.802SS**  trans-69.9148.4151.9-166.50000107.8D244D244-S246 PolarHBondContact O-N 3.46Å; D244-S246 VanDerWaalsContact O-N 3.11Å
247D41.7Very low36.9Very low135 Ų135158.2 Ų158.272%0.72280%0.796SS**  trans84.954.2163.1-48.2-12.3000118
248R33.7Very low36.5Very low230 Ų230163.9 Ų163.987%0.86880%0.801SS**  trans-118.680.9142.6-77.2-167.5175.3174.6-1.9111D250R248-D250 PolarHBondContact O-N 2.82Å
249T37.5Very low36Very low130 Ų130156.2 Ų156.280%0.79880%0.795SS**  trans-63.778.6156.740.90000110.1
250D41.1Very low35.6Very low139 Ų139152.3 Ų152.374%0.74379%0.793SS**  trans-116.538.9160.4-72.1-36.8000109.6R248 P252R248-D250 PolarHBondContact O-N 2.82Å; D250-P252 VanDerWaalsContact O-CD 3.27Å; D250-P252 WeakPolarHBondContact O-CD 3.41Å
251R31.8Very low35.4Very low229 Ų229147.8 Ų147.886%0.86479%0.787SS**  trans-75.2112.6163.4-162.3173.5-167.1162.52.5105.5T253R251-T253 PolarHBondContact O-N 2.84Å
252P36.9Very low35.2Very low121 Ų121146.1 Ų146.179%0.78678%0.784SS**  trans-60.9110.5177.824.3-30.8000107.1D250 S254D250-P252 VanDerWaalsContact O-CD 3.27Å; D250-P252 WeakPolarHBondContact O-CD 3.41Å; P252-S254 PolarHBondContact O-N 3.17Å
253T37.5Very low34.7Very low129 Ų129142.6 Ų142.679%0.79179%0.787SS**  trans-60.6122.117144.60000107R251 D255R251-T253 PolarHBondContact O-N 2.84Å; T253-D255 PolarHBondContact O-N 3.37Å
254S34.9Very low34.5Very low112 Ų112150.9 Ų150.978%0.78381%0.805SS**SBendtrans-5597172.250.60000110.3P252P252-S254 PolarHBondContact O-N 3.17Å
255D32.8Very low34.2Very low136 Ų136150 Ų15073%0.72781%0.805SS**  trans-17259.3160.1-98.2-27.6000111.7T253T253-D255 PolarHBondContact O-N 3.37Å
256E36.1Very low34Very low205 Ų205145.4 Ų145.496%0.95879%0.794SS**  trans-110.574.5153.6-89.8-170.4152.300109.6R258E256-R258 PolarHBondContact O-N 3.47Å
257K33Very low33.6Very low173 Ų173146 Ų14675%0.75280%0.798SS**  trans-62.6120.7145.4-75.3176.2177.2167.50108
258R32.1Very low33.3Very low247 Ų247151.6 Ų151.693%0.93281%0.809SS**  trans134.7120138.5-76.1167.6-177.9-149.80.8111.7E256E256-R258 PolarHBondContact O-N 3.47Å
259G28.9Very low33.1Very low73 Ų73147.3 Ų147.375%0.75381%0.808SS**  trans141.3127.2132.800000116.2
260S32.3Very low33Very low122 Ų122148 Ų14885%0.85381%0.812SS**  trans75.792.9159-630000116.6
261A33.9Very low32.4Very low86 Ų86150.9 Ų150.971%0.71182%0.818SS**  75.612666.700000114.2
262N31.4Very low32.5Very low156 Ų156144.5 Ų144.583%0.83481%0.814SS**  trans86.268.4156.2-59.7-15.6000119.1
263G30.7Very low32.3Very low87 Ų87143.7 Ų143.790%0.89782%0.817SS**  trans-118.785.3142.100000109.3
264R27.8Very low32.1Very low213 Ų213147.4 Ų147.480%0.80482%0.823SS**  trans-95.2110.2-170.8176.5-173.3-173.3-178.43.1110.5V266R264-V266 HydrophobicContact CG-CG2 4.1Å
265V32.5Very low32Very low140 Ų140147.1 Ų147.185%0.84883%0.827SS**  trans-149.185.3152.9-161.50000106.7
266V31.3Very low31.8Very low103 Ų103146.6 Ų146.662%0.62483%0.829SS**  55.191.793.3-1740000113.8R264R264-V266 HydrophobicContact CG-CG2 4.1Å
267S28.5Very low31.6Very low100 Ų100145 Ų14570%0.69982%0.821SS**  65.7111.8124.5-43.80000120
268R33.8Very low31.5Very low253 Ų253142.5 Ų142.596%0.95582%0.819SS**  -171.692.6114-96.4170.8-158.9-157.36.3109.4
269T30.1Very low31.7Very low139 Ų139135.3 Ų135.385%0.85381%0.807SS**PPolyproline II helixtrans-99.8127.8159.443.20000108.7
270V34.9Very low31.9Very low145 Ų145137.2 Ų137.288%0.87981%0.809SS**PPolyproline II helixtrans-85.8129.8162.5175.60000108.4
271K29.8Very low31.8Very low199 Ų199141.2 Ų141.287%0.86581%0.806SS**PPolyproline II helixtrans-73.4141.4173.7-72.5169.6169.4175.90111.1
272A33.7Very low31.7Very low96 Ų96141.9 Ų141.979%0.79381%0.811SS**  trans168.194.8133.200000108.1
273A31.6Very low31.8Very low103 Ų103141.3 Ų141.385%0.85180%0.803SS**  65.791.788.800000113.8
274K34.7Very low31.6Very low208 Ų208140.7 Ų140.790%0.90480%0.797SS**  trans-122.7126.4151.8-102.4178178.4175.50108
275A33.2Very low31.8Very low106 Ų106137.4 Ų137.488%0.87680%0.801SS**  trans-72.4134.1-178.100000110.8
276V27.6Very low31.5Very low125 Ų125136.2 Ų136.276%0.75880%0.799SS**  trans-73.7125.8167.4170.60000108V278V276-V278 HydrophobicContact CG1-CG2 3.49Å; V276-V278 VanDerWaalsContact CG1-CG2 3.49Å
277H31.8Very low31.5Very low171 Ų171137.2 Ų137.279%0.79281%0.81SS**  trans-124.897.3159.5-164.6-63.2000108.3S279H277-S279 PolarHBondContact O-N 2.98Å
278V31.3Very low31.5Very low120 Ų120140.3 Ų140.373%0.72781%0.814SS**  trans-85.5107.7169.3-167.50000106.2V276V276-V278 HydrophobicContact CG1-CG2 3.49Å; V276-V278 VanDerWaalsContact CG1-CG2 3.49Å
279S36.4Very low31.1Very low97 Ų97136.6 Ų136.668%0.67881%0.807SS**  trans-92.1111.7167.1-174.40000108.2H277H277-S279 PolarHBondContact O-N 2.98Å
280S31.9Very low31.2Very low113 Ų113135.3 Ų135.379%0.7980%0.804SS**  trans-82.7117.9168.840.50000108.7
281R31.1Very low31.1Very low206 Ų206137 Ų13778%0.77780%0.802SS**  trans-131111.8159.3-164.5168.8179.8158.4-2.2109.3E283R281-E283 IonicContact CZ-OE1 3.35Å; R281-E283 IonicContact NE-OE1 3.06Å; R281-E283 PolarHBondContact NE-OE1 3.19Å; R281-E283 IonicContact NH2-OE1 2.76Å; R281-E283 PolarHBondContact NH2-OE1 3.38Å
282A30.8Very low31.3Very low99 Ų99136.7 Ų136.782%0.81880%0.801SS**  trans-93.2117.2170.700000108.6
283E34.3Very low31.2Very low144 Ų144143 Ų14367%0.67380%0.804SS**  trans-147.6113.8157-69179.2-160.600103R281R281-E283 IonicContact CZ-OE1 3.35Å; R281-E283 IonicContact NE-OE1 3.06Å; R281-E283 PolarHBondContact NE-OE1 3.19Å; R281-E283 IonicContact NH2-OE1 2.76Å; R281-E283 PolarHBondContact NH2-OE1 3.38Å
284G26.6Very low31.5Very low75 Ų75144.8 Ų144.877%0.77380%0.804SS**  cis91.360.925.900000110.3
285T32.1Very low31.4Very low144 Ų144143.5 Ų143.588%0.88380%0.801SS**  trans-145.8111.1153.946.50000110.7
286S25.1Very low31.2Very low115 Ų115146.7 Ų146.780%0.80480%0.798SS**  trans-74.3142.9159.7540000109.5
287S32.7Very low31.6Very low124 Ų124150.8 Ų150.887%0.86781%0.806SS**  trans-138.8117.1158.3-178.60000108
288E27.1Very low31.4Very low165 Ų165151.7 Ų151.777%0.77181%0.807SS**  trans-75.1172.1178.3-70.6175.7120.400113
289E25.9Very low31.4Very low175 Ų175150.8 Ų150.882%0.81881%0.812SS**  trans71.8112.8146.6-86.4-173.8139.800119.9
290S33.7Very low31.2Very low112 Ų112150.3 Ų150.378%0.78381%0.814SS**  -173.6104.4105.429.90000111.7
291E31.7Very low31Very low180 Ų180155 Ų15584%0.84182%0.82SS**  trans-75.4118.4163-72.1-172.9152.700109.4
292K34.7Very low31.1Very low192 Ų192151.3 Ų151.384%0.83582%0.82SS**  trans-108.499.2165.3-84.3-177.8177.2175.70109.7
293R31.5Very low30.8Very low229 Ų229155.7 Ų155.786%0.86482%0.824SS**  trans-67.8125.6159.9-73.2179.3-178.9179.80.7108.5
294V37.2Very low30.8Very low140 Ų140153.8 Ų153.885%0.84883%0.827SS**  trans-120.9129.6165.61780000108.2
295E32.5Very low30.8Very low182 Ų182158.7 Ų158.785%0.8583%0.829SS**  trans-68.6154.9-167.2-68.2171.1131.800115.3
296E29.5Very low30.4Very low172 Ų172161.4 Ų161.480%0.80483%0.829SS**  trans-51.9133.6170.1-60.2178.9132.100113.3
297K35Very low30.7Very low212 Ų212160.6 Ų160.692%0.92283%0.829SS**  trans-111.3108.7158.4-87.4-176.8175.4176.90109.9
298K27.8Very low30.4Very low190 Ų190162.6 Ų162.683%0.82683%0.83SS**  trans-78.1125165-79.3174.9177.4166.20110.1
299A31.9Very low30.7Very low100 Ų100159.3 Ų159.383%0.82683%0.825SS**  trans-170.2146.8158.600000107.4
300A32.4Very low30.8Very low87 Ų87160.5 Ų160.572%0.71983%0.83SS**  cis-155.7143.5-17.800000103.8V302A300-V302 PolarHBondContact O-N 3.5Å
301K28Very low30.9Very low212 Ų212160.9 Ų160.992%0.92283%0.828SS**  trans-60.2117.6172.9-93.9176.8167.7-179.80108.8
302V32Very low31Very low128 Ų128156.5 Ų156.578%0.77682%0.822SS**  trans-114108.9160177.90000106.5A300A300-V302 PolarHBondContact O-N 3.5Å
303E26.2Very low30.9Very low191 Ų191158.5 Ų158.589%0.89383%0.825SS**  trans-90.3109.4177.7-159.8168.1-149.500106.3
304S32.7Very low30.9Very low105 Ų105158.1 Ų158.173%0.73482%0.823SS**  trans-125.7116.5173.955.40000111.7
305H26.6Very low30.7Very low178 Ų178159.1 Ų159.182%0.82482%0.819SS**  trans-6.5127.3163.7-65.7-78.7000121.3
306K24.4Very low30.7Very low201 Ų201158 Ų15887%0.87481%0.813SS**  trans14.9114.8131.4-72.7179.4173.8179.80117.7
307A31.5Very low30.7Very low98 Ų98156.9 Ų156.981%0.8181%0.812SS**  trans-149.4110.7141.100000109.3S309A307-S309 PolarHBondContact O-N 3.32Å
308D26.7Very low30.4Very low165 Ų165155.3 Ų155.388%0.88281%0.808SS**  trans-60.8117.4170.9-67.2-55.6000110.3
309S32.9Very low30.7Very low96 Ų96153.5 Ų153.567%0.67181%0.806SS**  trans-149.7118.814962.40000109.6A307 T311A307-S309 PolarHBondContact O-N 3.32Å; S309-T311 PolarHBondContact O-N 3.43Å; S309-T311 PolarHBondContact O-OG1 3.43Å
310H28.9Very low30.7Very low201 Ų201153 Ų15393%0.93180%0.797SS**  trans-64.372.4172.4-77.9-79.3000110.1A312H310-A312 PolarHBondContact O-N 3.25Å
311T34.2Very low30.9Very low119 Ų119154.9 Ų154.973%0.7380%0.799SS**  trans-83.3105.2172.3-8.30000108.1S309 R313S309-T311 PolarHBondContact O-N 3.43Å; S309-T311 PolarHBondContact O-OG1 3.43Å; T311-R313 PolarHBondContact O-N 2.93Å
312A34.2Very low31Very low88 Ų88154.6 Ų154.673%0.72779%0.792SS**  trans8.7103.9161.800000114.7H310 R314H310-A312 PolarHBondContact O-N 3.25Å; A312-R314 PolarHBondContact O-N 3.06Å
313R32.6Very low31.1Very low234 Ų234155.2 Ų155.288%0.88379%0.791SS**  trans-52.586.6174.7-164.3177.9-173.4179.61.9109.7T311 Q315T311-R313 PolarHBondContact O-N 2.93Å; R313-Q315 VanDerWaalsContact C-N 3.32Å; R313-Q315 PolarHBondContact O-N 2.87Å
314R31.1Very low31.6Very low221 Ų221150.9 Ų150.983%0.83478%0.778SS**  trans-66.995.7174.8-163.9178.3-179.4-158.8-0.7105.2A312 Q316A312-R314 PolarHBondContact O-N 3.06Å; R314-Q316 PolarHBondContact O-N 3.07Å
315Q34.2Very low31.8Very low161 Ų161155.6 Ų155.675%0.75279%0.785SS**  trans-61.995.2174.3-67.5-173.73.700106.9R313 L317R313-Q315 VanDerWaalsContact C-N 3.32Å; R313-Q315 PolarHBondContact O-N 2.87Å; Q315-L317 PolarHBondContact O-N 3.26Å
316Q32.6Very low32.3Very low158 Ų158150.4 Ų150.474%0.73877%0.769SS**  trans-64.8107.3163.2-76.1-174.5-22.600105R314 H318R314-Q316 PolarHBondContact O-N 3.07Å; Q316-H318 VanDerWaalsContact C-N 3.26Å; Q316-H318 PolarHBondContact O-N 3.08Å
317L29.7Very low32.7Very low150 Ų150146 Ų14679%0.78576%0.763SS**  trans-5999.8165.9-69.1169.3000106Q315 L319Q315-L317 PolarHBondContact O-N 3.26Å; L317-L319 PolarHBondContact O-N 3.3Å
318H28.4Very low32.9Very low179 Ų179146.4 Ų146.483%0.82976%0.756SS**  trans-65.791165.2-121.2-83000105Q316 S320Q316-H318 VanDerWaalsContact C-N 3.26Å; Q316-H318 PolarHBondContact O-N 3.08Å; H318-S320 PolarHBondContact O-N 3.32Å
319L33.8Very low33.2Very low151 Ų151148.5 Ų148.579%0.79175%0.751SS**  trans-59.699162.6-75.7160.3000104.4L317 V321L317-L319 PolarHBondContact O-N 3.3Å; L319-V321 VanDerWaalsContact C-N 3.27Å; L319-V321 PolarHBondContact O-N 3.23Å
320S31.9Very low33.4Very low91 Ų91151 Ų15164%0.63675%0.752SS**  trans-57.3104.4166.756.60000104.8H318 R322H318-S320 PolarHBondContact O-N 3.32Å; S320-R322 PolarHBondContact O-N 2.76Å
321V36.7Very low33.9Very low125 Ų125146.1 Ų146.176%0.75873%0.733SS**  trans-63.680162.9-176.90000103.7L319 D323L319-V321 VanDerWaalsContact C-N 3.27Å; L319-V321 PolarHBondContact O-N 3.23Å; V321-D323 PolarHBondContact O-N 3.37Å; V321-D323 VanDerWaalsContact O-N 3.11Å
322R29.8Very low33.9Very low206 Ų206145.5 Ų145.578%0.77772%0.722SS**  trans-59.6119.1162.8-94.6-177.7169.8149.2-1.3102.9S320 T324S320-R322 PolarHBondContact O-N 2.76Å; R322-T324 HydrophobicContact CB-CG2 4.43Å; R322-T324 PolarHBondContact O-N 2.69Å
323D35.2Very low34.3Very low141 Ų141148.3 Ų148.375%0.75472%0.718SS**  trans-57.571.6168.9-66.4-43.4000108.7V321 K325V321-D323 PolarHBondContact O-N 3.37Å; V321-D323 VanDerWaalsContact O-N 3.11Å; D323-K325 PolarHBondContact O-N 3.07Å
324T36.3Very low34.5Very low101 Ų101141.6 Ų141.662%0.6270%0.699SS**  trans-72.386164.455.70000103.9R322 S326R322-T324 HydrophobicContact CB-CG2 4.43Å; R322-T324 PolarHBondContact O-N 2.69Å; T324-S326 WeakPolarHBondContact CB-OG 3.43Å; T324-S326 PolarHBondContact O-N 2.92Å; T324-S326 PolarHBondContact O-OG 2.8Å
325K36.2Very low34.9Very low203 Ų203137.5 Ų137.588%0.88369%0.687SS**  trans-57.426.7146.2-60.9-176179.2-178.40111.2D323 S327D323-K325 PolarHBondContact O-N 3.07Å; K325-S327 PolarHBondContact O-N 2.86Å; K325-S327 VanDerWaalsContact O-N 3.13Å
326S36.4Very low35.4Very low69 Ų69134.2 Ų134.248%0.48368%0.68SS.*  trans-61.2117.2161.856.80000104.6T324 V328T324-S326 WeakPolarHBondContact CB-OG 3.43Å; T324-S326 PolarHBondContact O-N 2.92Å; T324-S326 PolarHBondContact O-OG 2.8Å; S326-V328 PolarHBondContact O-N 2.84Å
327S33.2Very low36Very low108 Ų108135.4 Ų135.476%0.75569%0.686SS**  trans-61.962.316867.30000109.8K325 R329K325-S327 PolarHBondContact O-N 2.86Å; K325-S327 VanDerWaalsContact O-N 3.13Å; S327-R329 PolarHBondContact O-N 2.71Å
328V36.6Very low36.9Very low108 Ų108134 Ų13466%0.65568%0.675SS**  trans-59.494.8144-177.70000101S326 Q330S326-V328 PolarHBondContact O-N 2.84Å; V328-Q330 PolarHBondContact O-N 2.86Å
329R31.8Very low37.7Very low209 Ų209126.4 Ų126.479%0.78964%0.643SS**  trans-50.992.3155.3-72178.5169.1-174.8-4.7102.4S327 N331S327-R329 PolarHBondContact O-N 2.71Å; R329-N331 PolarHBondContact O-N 3.5Å
330Q38.6Very low38Very low148 Ų148121.9 Ų121.969%0.69263%0.633SS**  trans-54.795.9155.4-75.3-179.2-21.900100.2V328 H332V328-Q330 PolarHBondContact O-N 2.86Å; Q330-H332 PolarHBondContact O-CD2 2.94Å; Q330-H332 PolarHBondContact O-N 3.28Å
331N38.3Very low38.9Very low98 Ų98123 Ų12352%0.52465%0.647SS.*  trans-57.698.5165.5-74.3-19.4000101.2R329 F333R329-N331 PolarHBondContact O-N 3.5Å; N331-F333 VanDerWaalsContact C-N 3.32Å; N331-F333 PolarHBondContact O-N 3.35Å
332H35.5Very low39.5Very low106 Ų106126.1 Ų126.149%0.49165%0.651SS.*  trans-51.9109.4178.9-75.6-100.6000103.1Q330 L334 E338Q330-H332 PolarHBondContact O-CD2 2.94Å; Q330-H332 PolarHBondContact O-N 3.28Å; H332-L334 HydrophobicContact CB-CD1 3.75Å; H332-L334 PolarHBondContact O-N 3.23Å; H332-E338 IonicContact ND1-OE2 2.63Å
333F40.8Very low40.3Very low147 Ų147120.6 Ų120.665%0.64563%0.633SS**  trans-57.295.4144.6-86.6-89.4000101.9N331 F335N331-F333 VanDerWaalsContact C-N 3.32Å; N331-F333 PolarHBondContact O-N 3.35Å; F333-F335 WeakPolarHBondContact O-CD2 3.37Å; F333-F335 PolarHBondContact O-N 3.39Å
334L36.8Very low41Very low93 Ų93118.2 Ų118.249%0.48762%0.62SS.*  trans-59.2101.5170.8-100.185.4000103.3H332 A339H332-L334 HydrophobicContact CB-CD1 3.75Å; H332-L334 PolarHBondContact O-N 3.23Å; L334-A339 HydrophobicContact CD2-CB 4.03Å
335F39.9Very low41.7Very low135 Ų135117.7 Ų117.759%0.59262%0.618SS**  trans-55.9138.7165.3-70.7-82.6000105.3F333 E337 E338 A339F333-F335 WeakPolarHBondContact O-CD2 3.37Å; F333-F335 PolarHBondContact O-N 3.39Å; F335-E337 PolarHBondContact O-N 2.88Å; F335-E338 PolarHBondContact O-N 3.46Å; F335-A339 PolarHBondContact O-N 2.86Å
336P45.6Very low42.6Very low93 Ų93119 Ų11960%0.60462%0.618SS**THydrogen-bonded Turntrans-52.2-21.3179.8-2834.2000113.6A339P336-A339 PolarHBondContact O-N 2.93Å
337E45.5Very low43.7Very low183 Ų183119.4 Ų119.486%0.85562%0.621SS**THydrogen-bonded Turntrans-66.1-33.7173-64.9-169166.900113.9F335F335-E337 PolarHBondContact O-N 2.88Å
338E47.1Very low44.8Very low121 Ų121116.6 Ų116.657%0.56560%0.597SS**THydrogen-bonded Turntrans-84-23.5175.1-69.8-176.6168.600112.3H332 F335 G340H332-E338 IonicContact ND1-OE2 2.63Å; F335-E338 PolarHBondContact O-N 3.46Å; E338-G340 PolarHBondContact O-N 2.95Å
339A45.7Very low45.7Very low19 Ų19115 Ų11516%0.15759%0.587CS.*SBendtrans-79.366173.400000109.5L334 F335 P336 A341 F343L334-A339 HydrophobicContact CD2-CB 4.03Å; F335-A339 PolarHBondContact O-N 2.86Å; P336-A339 PolarHBondContact O-N 2.93Å; A339-A341 PolarHBondContact O-N 3.42Å; A339-A341 VanDerWaalsContact O-N 3.15Å; A339-F343 HydrophobicContact CB-CB 3.54Å; A339-F343 HydrophobicContact CB-CD2 4.03Å; A339-F343 HydrophobicContact CB-CG 3.86Å
340G40.9Very low46.9Very low55 Ų55110 Ų11057%0.56758%0.576SS**THydrogen-bonded Turntrans-40.4116.7-162.500000114.6E338 K342E338-G340 PolarHBondContact O-N 2.95Å; G340-K342 PolarHBondContact O-N 3.36Å
341A50.9Low47.7Very low114 Ų114108 Ų10894%0.94257%0.566SS**THydrogen-bonded Turntrans41.4-5.3167.100000120.5A339A339-A341 PolarHBondContact O-N 3.42Å; A339-A341 VanDerWaalsContact O-N 3.15Å
342K48.3Very low48.5Very low191 Ų191107.4 Ų107.483%0.8356%0.561SS**THydrogen-bonded Turntrans-128.48.5-174-70.8-171.6178.8-1780112.2G340 D344G340-K342 PolarHBondContact O-N 3.36Å; K342-D344 VanDerWaalsContact C-N 3.35Å; K342-D344 PolarHBondContact O-N 2.9Å
343F46.3Very low49.5Very low91 Ų91105.7 Ų105.740%0.39955%0.554SS.*  trans-71.796.7168.7-173.9-100.4000108.8A339 P345 I348A339-F343 HydrophobicContact CB-CB 3.54Å; A339-F343 HydrophobicContact CB-CD2 4.03Å; A339-F343 HydrophobicContact CB-CG 3.86Å; F343-P345 HydrophobicContact CE1-CB 4.11Å; F343-P345 VanDerWaalsContact O-CD 3.3Å; F343-P345 WeakPolarHBondContact O-CD 3.48Å; F343-I348 HydrophobicContact CE2-CD1 4.29Å; F343-I348 HydrophobicContact CZ-CB 4.27Å; F343-I348 HydrophobicContact CZ-CD1 4Å
344D51.5Low50Low90 Ų90102 Ų10248%0.48154%0.538SS..  trans-82.4111.2169-158.1-19.1000107K342 R346 S347K342-D344 VanDerWaalsContact C-N 3.35Å; K342-D344 PolarHBondContact O-N 2.9Å; D344-R346 PolarHBondContact O-N 3.16Å; D344-S347 PolarHBondContact O-N 3.5Å; D344-S347 PolarHBondContact O-OG 3.18Å
345P50.5Low50.8Low91 Ų91104.1 Ų104.159%0.59155%0.546SS*.THydrogen-bonded Turntrans-61.4-13-17924.8-34.1000112.6F343 I348F343-P345 HydrophobicContact CE1-CB 4.11Å; F343-P345 VanDerWaalsContact O-CD 3.3Å; F343-P345 WeakPolarHBondContact O-CD 3.48Å; P345-I348 WeakPolarHBondContact O-CG2 3.34Å
346R54.5Low51.3Low229 Ų229103.6 Ų103.686%0.86454%0.541SS*.THydrogen-bonded Turntrans-80.2-17172.2-64.1179.8176.5-174.5-0.9113.7D344D344-R346 PolarHBondContact O-N 3.16Å
347S58.9Low51.5Low78 Ų78100.8 Ų100.855%0.54552%0.523SS..SBendtrans-91.6-10.1-179.476.40000113.6D344 T349D344-S347 PolarHBondContact O-N 3.5Å; D344-S347 PolarHBondContact O-OG 3.18Å; S347-T349 PolarHBondContact O-N 3.45Å
348I56Low52.2Low50 Ų5095.2 Ų95.226%0.25650%0.503SS..  trans-68.4122.3175.9-159.6168.2000108.2F343 P345 E352 I353F343-I348 HydrophobicContact CE2-CD1 4.29Å; F343-I348 HydrophobicContact CZ-CB 4.27Å; F343-I348 HydrophobicContact CZ-CD1 4Å; P345-I348 WeakPolarHBondContact O-CG2 3.34Å; I348-E352 HydrophobicContact CD1-CB 4.47Å; I348-E352 HydrophobicContact CG1-CB 3.84Å; I348-I353 HydrophobicContact CB-CG1 4.48Å; I348-I353 HydrophobicContact CD1-CG1 3.73Å; I348-I353 HydrophobicContact CG1-CG1 3.86Å; I348-I353 HydrophobicContact CG2-CD1 3.74Å; I348-I353 HydrophobicContact CG2-CG1 3.83Å
349T56.6Low52.9Low73 Ų7394.1 Ų94.145%0.44850%0.5SS..  trans-74.3149.8175.456.70000109.3S347 E351 E352 I353S347-T349 PolarHBondContact O-N 3.45Å; T349-E351 PolarHBondContact O-N 2.63Å; T349-E352 PolarHBondContact N-OE2 3.13Å; T349-E352 PolarHBondContact O-N 3.07Å; T349-E352 VanDerWaalsContact OG1-CG 3.29Å; T349-E352 WeakPolarHBondContact OG1-CG 3.42Å; T349-E352 PolarHBondContact OG1-N 3.45Å; T349-E352 PolarHBondContact OG1-OE2 3.05Å; T349-I353 PolarHBondContact O-N 3.22Å; T349-I353 VanDerWaalsContact O-N 3.11Å
350D56.8Low53.7Low104 Ų10498.5 Ų98.556%0.55651%0.512SS*.Hα-helixtrans-54.5-37.5175.2-68.9-30.8000110.5E352 I353 F354D350-E352 PolarHBondContact O-N 3.43Å; D350-I353 WeakPolarHBondContact O-CB 3.48Å; D350-I353 PolarHBondContact O-N 3.27Å; D350-F354 HydrophobicContact CB-CD2 4.22Å; D350-F354 HydrophobicContact CB-CE2 3.81Å; D350-F354 WeakPolarHBondContact O-CD2 3.34Å; D350-F354 VanDerWaalsContact O-CG 3.3Å; D350-F354 WeakPolarHBondContact O-CG 3.42Å; D350-F354 PolarHBondContact O-N 2.91Å
351E54.6Low55.1Low106 Ų10699.8 Ų99.850%0.49551%0.506SS..Hα-helixtrans-61.6-38.2177-156.368.2-14700113.2T349 F354 Q355 R360T349-E351 PolarHBondContact O-N 2.63Å; E351-F354 PolarHBondContact O-N 2.9Å; E351-Q355 WeakPolarHBondContact O-CG 3.43Å; E351-Q355 PolarHBondContact O-N 3.41Å; E351-R360 IonicContact OE1-NH1 3.07Å; E351-R360 PolarHBondContact OE1-NH1 3.26Å
352E56.3Low56Low87 Ų8797.9 Ų97.941%0.40748%0.48SS..Hα-helixtrans-67.9-45.3174.1-76167.3152.100111I348 T349 D350 F354 Q355 Y356I348-E352 HydrophobicContact CD1-CB 4.47Å; I348-E352 HydrophobicContact CG1-CB 3.84Å; T349-E352 PolarHBondContact N-OE2 3.13Å; T349-E352 PolarHBondContact O-N 3.07Å; T349-E352 VanDerWaalsContact OG1-CG 3.29Å; T349-E352 WeakPolarHBondContact OG1-CG 3.42Å; T349-E352 PolarHBondContact OG1-N 3.45Å; T349-E352 PolarHBondContact OG1-OE2 3.05Å; D350-E352 PolarHBondContact O-N 3.43Å; E352-F354 PolarHBondContact O-N 3.27Å; E352-Q355 PolarHBondContact O-N 2.85Å; E352-Q355 VanDerWaalsContact O-N 3.15Å; E352-Y356 WeakPolarHBondContact O-CD2 3.27Å; E352-Y356 PolarHBondContact O-N 3.1Å; E352-Y356 VanDerWaalsContact O-N 3.12Å
353I55.9Low57.2Low69 Ų6989.7 Ų89.735%0.35445%0.446SS..Hα-helixtrans-53.9-43.1173-61.9173.5000109.6I348 T349 D350 Y356 C357I348-I353 HydrophobicContact CB-CG1 4.48Å; I348-I353 HydrophobicContact CD1-CG1 3.73Å; I348-I353 HydrophobicContact CG1-CG1 3.86Å; I348-I353 HydrophobicContact CG2-CD1 3.74Å; I348-I353 HydrophobicContact CG2-CG1 3.83Å; T349-I353 PolarHBondContact O-N 3.22Å; T349-I353 VanDerWaalsContact O-N 3.11Å; D350-I353 WeakPolarHBondContact O-CB 3.48Å; D350-I353 PolarHBondContact O-N 3.27Å; I353-Y356 PolarHBondContact O-N 2.95Å; I353-C357 WeakPolarHBondContact O-CB 3.35Å; I353-C357 PolarHBondContact O-N 2.84Å
354F52.6Low58.5Low70 Ų7090.3 Ų90.331%0.30745%0.451SS..Hα-helixtrans-69.1-36.2180-70.1-55.7000113.8D350 E351 E352 Y356 C357D350-F354 HydrophobicContact CB-CD2 4.22Å; D350-F354 HydrophobicContact CB-CE2 3.81Å; D350-F354 WeakPolarHBondContact O-CD2 3.34Å; D350-F354 VanDerWaalsContact O-CG 3.3Å; D350-F354 WeakPolarHBondContact O-CG 3.42Å; D350-F354 PolarHBondContact O-N 2.91Å; E351-F354 PolarHBondContact O-N 2.9Å; E352-F354 PolarHBondContact O-N 3.27Å; F354-Y356 VanDerWaalsContact C-N 3.28Å; F354-Y356 PolarHBondContact O-N 2.96Å; F354-C357 PolarHBondContact O-N 3.11Å
355Q53.6Low59.7Low138 Ų13893.6 Ų93.665%0.64546%0.456SS*.Hα-helixtrans-64-34.6174-77.4-178.519.500112.1E351 E352E351-Q355 WeakPolarHBondContact O-CG 3.43Å; E351-Q355 PolarHBondContact O-N 3.41Å; E352-Q355 PolarHBondContact O-N 2.85Å; E352-Q355 VanDerWaalsContact O-N 3.15Å
356Y48.6Very low61Low124 Ų12491.3 Ų91.349%0.48644%0.439SS..Hα-helixtrans-85.5-6.6176.4-70.2-73000113.6E352 I353 F354 P358E352-Y356 WeakPolarHBondContact O-CD2 3.27Å; E352-Y356 PolarHBondContact O-N 3.1Å; E352-Y356 VanDerWaalsContact O-N 3.12Å; I353-Y356 PolarHBondContact O-N 2.95Å; F354-Y356 VanDerWaalsContact C-N 3.28Å; F354-Y356 PolarHBondContact O-N 2.96Å; Y356-P358 VanDerWaalsContact O-CD 3.28Å; Y356-P358 WeakPolarHBondContact O-CD 3.45Å
357C51.1Low62.2Low34 Ų3484.5 Ų84.523%0.2342%0.419CS..  trans-85.6115.9-174.9-157.10000111.4I353 F354 L359 R360I353-C357 WeakPolarHBondContact O-CB 3.35Å; I353-C357 PolarHBondContact O-N 2.84Å; F354-C357 PolarHBondContact O-N 3.11Å; C357-L359 PolarHBondContact O-N 2.63Å; C357-L359 VanDerWaalsContact SG-CD1 3.56Å; C357-L359 VanDerWaalsContact SG-CG 3.51Å; C357-R360 PolarHBondContact O-N 2.81Å
358P58.8Low63.3Low66 Ų6685.9 Ų85.943%0.42942%0.42SS..Hα-helixtrans-59.3-14.8175.1-20.332.4000113.4Y356 N362Y356-P358 VanDerWaalsContact O-CD 3.28Å; Y356-P358 WeakPolarHBondContact O-CD 3.45Å; P358-N362 WeakPolarHBondContact O-CB 3.49Å; P358-N362 PolarHBondContact O-N 3.48Å; P358-N362 PolarHBondContact O-ND2 3.02Å; P358-N362 VanDerWaalsContact O-ND2 3.07Å
359L62.7Low64.5Low97 Ų9787.2 Ų87.251%0.50843%0.427SS..Hα-helixtrans-63.6-39.5179.8-63177000112.3C357 N362 V363 Y445C357-L359 PolarHBondContact O-N 2.63Å; C357-L359 VanDerWaalsContact SG-CD1 3.56Å; C357-L359 VanDerWaalsContact SG-CG 3.51Å; L359-N362 PolarHBondContact O-N 3.27Å; L359-V363 VanDerWaalsContact O-CG2 3.25Å; L359-V363 WeakPolarHBondContact O-CG2 3.42Å; L359-V363 PolarHBondContact O-N 2.81Å; L359-Y445 HydrophobicContact CB-CE2 3.93Å
360R63.4Low65.8Low111 Ų11186.1 Ų86.142%0.41942%0.416SS..Hα-helixtrans-65.1-44-179.5-171.6176.1179.1157.2-0.5111.4E351 C357 N362 V363 Q364E351-R360 IonicContact OE1-NH1 3.07Å; E351-R360 PolarHBondContact OE1-NH1 3.26Å; C357-R360 PolarHBondContact O-N 2.81Å; R360-N362 VanDerWaalsContact C-N 3.34Å; R360-V363 PolarHBondContact O-N 3.13Å; R360-Q364 PolarHBondContact O-N 3.35Å
361D69Low67Low82 Ų8284.4 Ų84.444%0.43941%0.407SS..Hα-helixtrans-62.8-41.7174.9-73-9.4000111.5V363 Q364 R365D361-V363 VanDerWaalsContact C-N 3.33Å; D361-V363 PolarHBondContact O-N 3.01Å; D361-Q364 PolarHBondContact O-N 3.38Å; D361-R365 VanDerWaalsContact O-CG 3.28Å; D361-R365 WeakPolarHBondContact O-CG 2.86Å; D361-R365 PolarHBondContact O-N 2.93Å
362N69.6Low68.4Low75 Ų7586 Ų8640%0.40141%0.409SS..Hα-helixtrans-64.6-37.6176.9-72.8-30.3000112P358 L359 R360 R365 L366P358-N362 WeakPolarHBondContact O-CB 3.49Å; P358-N362 PolarHBondContact O-N 3.48Å; P358-N362 PolarHBondContact O-ND2 3.02Å; P358-N362 VanDerWaalsContact O-ND2 3.07Å; L359-N362 PolarHBondContact O-N 3.27Å; R360-N362 VanDerWaalsContact C-N 3.34Å; N362-R365 WeakPolarHBondContact O-CB 3.37Å; N362-R365 PolarHBondContact O-N 3.48Å; N362-L366 VanDerWaalsContact O-CG 3.31Å; N362-L366 WeakPolarHBondContact O-CG 3.28Å; N362-L366 PolarHBondContact O-N 2.95Å
363V73.3Confident69.8Low19 Ų1982.5 Ų82.512%0.11539%0.393CS..Hα-helixtrans-68.2-42.3176.81680000111.6L359 R360 D361 R365 L366 L367 L442 Y445L359-V363 VanDerWaalsContact O-CG2 3.25Å; L359-V363 WeakPolarHBondContact O-CG2 3.42Å; L359-V363 PolarHBondContact O-N 2.81Å; R360-V363 PolarHBondContact O-N 3.13Å; D361-V363 VanDerWaalsContact C-N 3.33Å; D361-V363 PolarHBondContact O-N 3.01Å; V363-R365 VanDerWaalsContact C-N 3.27Å; V363-R365 PolarHBondContact O-N 3.12Å; V363-L366 PolarHBondContact O-N 3.04Å; V363-L366 VanDerWaalsContact O-N 3.16Å; V363-L367 HydrophobicContact CG1-CD1 4.34Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 3.27Å; V363-L442 HydrophobicContact CG1-CD2 3.82Å; V363-Y445 HydrophobicContact CB-CD1 4.25Å; V363-Y445 HydrophobicContact CB-CE1 4.03Å; V363-Y445 HydrophobicContact CG1-CD1 3.93Å; V363-Y445 HydrophobicContact CG1-CE1 3.8Å; V363-Y445 HydrophobicContact CG2-CD1 3.46Å; V363-Y445 VanDerWaalsContact CG2-CD1 3.46Å; V363-Y445 HydrophobicContact CG2-CD2 3.59Å; V363-Y445 HydrophobicContact CG2-CE1 3.56Å; V363-Y445 HydrophobicContact CG2-CE2 3.71Å; V363-Y445 HydrophobicContact CG2-CG 3.45Å; V363-Y445 VanDerWaalsContact CG2-CG 3.45Å
364Q74.8Confident71.1Confident104 Ų10483.5 Ų83.549%0.48640%0.396SS..Hα-helixtrans-59.6-40.2171.9-72-177.9-2.500111.6R360 D361 L367 L368R360-Q364 PolarHBondContact O-N 3.35Å; D361-Q364 PolarHBondContact O-N 3.38Å; Q364-L367 PolarHBondContact O-N 2.97Å; Q364-L368 WeakPolarHBondContact O-CG 3.41Å; Q364-L368 PolarHBondContact O-N 3.26Å
365R76.2Confident72.6Confident158 Ų15886.3 Ų86.360%0.59640%0.404SS*.Hα-helixtrans-64.1-40.9174-71.7170.9178.4-171.80.3112.3D361 N362 V363 L368 I369D361-R365 VanDerWaalsContact O-CG 3.28Å; D361-R365 WeakPolarHBondContact O-CG 2.86Å; D361-R365 PolarHBondContact O-N 2.93Å; N362-R365 WeakPolarHBondContact O-CB 3.37Å; N362-R365 PolarHBondContact O-N 3.48Å; V363-R365 VanDerWaalsContact C-N 3.27Å; V363-R365 PolarHBondContact O-N 3.12Å; R365-L368 PolarHBondContact O-N 3.48Å; R365-I369 VanDerWaalsContact O-CG1 3.28Å; R365-I369 WeakPolarHBondContact O-CG1 3.4Å; R365-I369 PolarHBondContact O-N 3.16Å
366L77.9Confident74Confident44 Ų4486.5 Ų86.523%0.2340%0.4CS..Hα-helixtrans-63.3-42.7175.7-71.5171.3000111.3N362 V363 L368 I369 Q370 L438 L441 L442N362-L366 VanDerWaalsContact O-CG 3.31Å; N362-L366 WeakPolarHBondContact O-CG 3.28Å; N362-L366 PolarHBondContact O-N 2.95Å; V363-L366 PolarHBondContact O-N 3.04Å; V363-L366 VanDerWaalsContact O-N 3.16Å; L366-L368 VanDerWaalsContact C-N 3.34Å; L366-L368 PolarHBondContact O-N 2.87Å; L366-I369 WeakPolarHBondContact O-CB 3.42Å; L366-I369 PolarHBondContact O-N 3.28Å; L366-I369 VanDerWaalsContact O-N 3.12Å; L366-Q370 PolarHBondContact O-N 2.96Å; L366-L438 HydrophobicContact CB-CD1 4.04Å; L366-L438 HydrophobicContact CB-CG 4.33Å; L366-L438 HydrophobicContact CD2-CD1 3.53Å; L366-L438 HydrophobicContact CD2-CG 4.28Å; L366-L438 HydrophobicContact CG-CD1 4.37Å; L366-L441 HydrophobicContact CD1-CB 4.47Å; L366-L442 HydrophobicContact CB-CD2 4.15Å
367L80.4Confident75.7Confident86 Ų8683.2 Ų83.245%0.4540%0.395SS..Hα-helixtrans-61.7-39.9174.7-71.1170.2000112.2V363 Q364 I369 Q370 D371 L442V363-L367 HydrophobicContact CG1-CD1 4.34Å; V363-L367 WeakPolarHBondContact O-CG 3.42Å; V363-L367 PolarHBondContact O-N 3.27Å; Q364-L367 PolarHBondContact O-N 2.97Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 3.08Å; L367-Q370 VanDerWaalsContact O-CB 3.28Å; L367-Q370 WeakPolarHBondContact O-CB 3.45Å; L367-Q370 PolarHBondContact O-N 3.08Å; L367-D371 PolarHBondContact O-N 3.16Å; L367-D371 VanDerWaalsContact O-N 3.08Å; L367-L442 HydrophobicContact CD2-CD1 3.83Å; L367-L442 HydrophobicContact CD2-CD2 4.3Å; L367-L442 HydrophobicContact CG-CD2 4.28Å
368L80.7Confident77.2Confident107 Ų10785.4 Ų85.456%0.5641%0.408SS*.Hα-helixtrans-65.4-35.4173.6-72.2170000112.5Q364 R365 L366 R372Q364-L368 WeakPolarHBondContact O-CG 3.41Å; Q364-L368 PolarHBondContact O-N 3.26Å; R365-L368 PolarHBondContact O-N 3.48Å; L366-L368 VanDerWaalsContact C-N 3.34Å; L366-L368 PolarHBondContact O-N 2.87Å; L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.37Å; L368-R372 PolarHBondContact O-N 3.22Å; L368-R372 VanDerWaalsContact O-N 3.16Å
369I80.9Confident78.4Confident78 Ų7886.1 Ų86.140%0.441%0.408SS..Hα-helixtrans-66.8-41.3174.1-69.5163.6000110R365 L366 L367 R372 I373 L438R365-I369 VanDerWaalsContact O-CG1 3.28Å; R365-I369 WeakPolarHBondContact O-CG1 3.4Å; R365-I369 PolarHBondContact O-N 3.16Å; L366-I369 WeakPolarHBondContact O-CB 3.42Å; L366-I369 PolarHBondContact O-N 3.28Å; L366-I369 VanDerWaalsContact O-N 3.12Å; L367-I369 VanDerWaalsContact C-N 3.32Å; L367-I369 PolarHBondContact O-N 3.08Å; I369-R372 PolarHBondContact O-N 3.1Å; I369-I373 HydrophobicContact CG2-CD1 3.75Å; I369-I373 HydrophobicContact CG2-CG1 4.37Å; I369-I373 WeakPolarHBondContact O-CG1 3.46Å; I369-I373 PolarHBondContact O-N 2.84Å; I369-L438 HydrophobicContact CB-CD1 4.21Å; I369-L438 HydrophobicContact CG2-CD1 3.95Å
370Q84.1Confident79.4Confident49 Ų4982.6 Ų82.623%0.22939%0.39CS..Hα-helixtrans-55.1-55.1175.6-161.3-177-36.100111.6L366 L367 R372 I373 E374 M435 L438L366-Q370 PolarHBondContact O-N 2.96Å; L367-Q370 VanDerWaalsContact O-CB 3.28Å; L367-Q370 WeakPolarHBondContact O-CB 3.45Å; L367-Q370 PolarHBondContact O-N 3.08Å; Q370-R372 VanDerWaalsContact C-N 3.26Å; Q370-R372 PolarHBondContact O-N 3.01Å; Q370-I373 PolarHBondContact O-N 2.73Å; Q370-E374 PolarHBondContact NE2-OE1 2.74Å; Q370-E374 VanDerWaalsContact NE2-OE1 3.1Å; Q370-E374 PolarHBondContact O-N 2.97Å; Q370-M435 HydrophobicContact CB-SD 4.49Å; Q370-M435 HydrophobicContact CG-CE 3.37Å; Q370-M435 HydrophobicContact CG-SD 3.63Å; Q370-L438 HydrophobicContact CB-CD2 3.48Å; Q370-L438 VanDerWaalsContact CB-CD2 3.48Å; Q370-L438 HydrophobicContact CG-CD2 3.74Å
371D82.6Confident80.3Confident69 Ų6980.8 Ų80.837%0.36939%0.394SS..Hα-helixtrans-59.9-35.7179.917080.1000112.2L367 R375L367-D371 PolarHBondContact O-N 3.16Å; L367-D371 VanDerWaalsContact O-N 3.08Å; D371-R375 WeakPolarHBondContact O-CG 3.28Å; D371-R375 PolarHBondContact O-N 3.28Å; D371-R375 VanDerWaalsContact O-N 3.13Å; D371-R375 PolarHBondContact O-NE 3.22Å; D371-R375 IonicContact OD2-CZ 2.8Å; D371-R375 IonicContact OD2-NE 3.11Å; D371-R375 PolarHBondContact OD2-NE 3.39Å; D371-R375 IonicContact OD2-NH2 2.71Å; D371-R375 PolarHBondContact OD2-NH2 3.15Å
372R84.8Confident81.1Confident140 Ų14082.6 Ų82.653%0.52840%0.4SS..Hα-helixtrans-66.7-42.1173.3-74.8175.9179.8-162.4-1.9112.3L368 I369 Q370 E374 R375 Y376L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.37Å; L368-R372 PolarHBondContact O-N 3.22Å; L368-R372 VanDerWaalsContact O-N 3.16Å; I369-R372 PolarHBondContact O-N 3.1Å; Q370-R372 VanDerWaalsContact C-N 3.26Å; Q370-R372 PolarHBondContact O-N 3.01Å; R372-E374 VanDerWaalsContact C-N 3.35Å; R372-R375 PolarHBondContact O-N 2.65Å; R372-Y376 HydrophobicContact CB-CE2 4.27Å; R372-Y376 WeakPolarHBondContact O-CD2 3.47Å; R372-Y376 PolarHBondContact O-N 2.78Å
373I84Confident81.7Confident13 Ų1382.7 Ų82.77%0.06740%0.403CS..Hα-helixtrans-64.4-42.2178.4-68.9163.7000110.7I369 Q370 R375 Y376 S377 L431 I434 M435I369-I373 HydrophobicContact CG2-CD1 3.75Å; I369-I373 HydrophobicContact CG2-CG1 4.37Å; I369-I373 WeakPolarHBondContact O-CG1 3.46Å; I369-I373 PolarHBondContact O-N 2.84Å; Q370-I373 PolarHBondContact O-N 2.73Å; I373-R375 VanDerWaalsContact C-N 3.33Å; I373-R375 PolarHBondContact O-N 2.88Å; I373-Y376 PolarHBondContact O-N 3.22Å; I373-S377 PolarHBondContact O-N 3.15Å; I373-L431 HydrophobicContact CG1-CD2 4.43Å; I373-L431 HydrophobicContact CG2-CB 3.95Å; I373-L431 HydrophobicContact CG2-CD2 3.92Å; I373-L431 HydrophobicContact CG2-CG 4.41Å; I373-I434 HydrophobicContact CD1-CB 4.22Å; I373-I434 HydrophobicContact CD1-CG2 3.47Å; I373-I434 VanDerWaalsContact CD1-CG2 3.47Å; I373-M435 HydrophobicContact CB-CG 4.24Å; I373-M435 HydrophobicContact CB-SD 3.76Å; I373-M435 HydrophobicContact CD1-CG 4.49Å; I373-M435 HydrophobicContact CD1-SD 4.12Å; I373-M435 HydrophobicContact CG2-CG 3.4Å; I373-M435 VanDerWaalsContact CG2-CG 3.4Å; I373-M435 HydrophobicContact CG2-SD 3.6Å; I373-M435 VanDerWaalsContact CG2-SD 3.6Å
374E84.5Confident82.3Confident90 Ų9083.4 Ų83.442%0.42141%0.406SS..Hα-helixtrans-59.3-45176-71.9175.9-166.500111.3Q370 R372 Y376 S377 T378 M435Q370-E374 PolarHBondContact NE2-OE1 2.74Å; Q370-E374 VanDerWaalsContact NE2-OE1 3.1Å; Q370-E374 PolarHBondContact O-N 2.97Å; R372-E374 VanDerWaalsContact C-N 3.35Å; E374-Y376 PolarHBondContact O-N 3.5Å; E374-S377 WeakPolarHBondContact O-CB 3.23Å; E374-S377 PolarHBondContact O-N 2.83Å; E374-S377 VanDerWaalsContact O-N 3.16Å; E374-T378 PolarHBondContact O-N 2.99Å; E374-M435 HydrophobicContact CG-CE 4.04Å; E374-M435 HydrophobicContact CG-SD 4.5Å
375R83.1Confident82.9Confident129 Ų12979.7 Ų79.749%0.48740%0.396SS..Hα-helixtrans-62.2-39.5173.9-72.9-174-79.2175.7-6113.3D371 R372 I373 S377 T378 N379D371-R375 WeakPolarHBondContact O-CG 3.28Å; D371-R375 PolarHBondContact O-N 3.28Å; D371-R375 VanDerWaalsContact O-N 3.13Å; D371-R375 PolarHBondContact O-NE 3.22Å; D371-R375 IonicContact OD2-CZ 2.8Å; D371-R375 IonicContact OD2-NE 3.11Å; D371-R375 PolarHBondContact OD2-NE 3.39Å; D371-R375 IonicContact OD2-NH2 2.71Å; D371-R375 PolarHBondContact OD2-NH2 3.15Å; R372-R375 PolarHBondContact O-N 2.65Å; I373-R375 VanDerWaalsContact C-N 3.33Å; I373-R375 PolarHBondContact O-N 2.88Å; R375-S377 VanDerWaalsContact C-N 3.31Å; R375-S377 PolarHBondContact O-N 2.67Å; R375-T378 PolarHBondContact O-OG1 2.91Å; R375-N379 WeakPolarHBondContact O-CB 3.45Å; R375-N379 PolarHBondContact O-N 3.44Å; R375-N379 PolarHBondContact O-ND2 2.85Å; R375-N379 PolarHBondContact O-OD1 3.16Å
376Y82.9Confident83.4Confident141 Ų14175.8 Ų75.855%0.55339%0.387SS*.Hα-helixtrans-66-35.7174.8-69.1-47.3000112.2R372 I373 E374 N379 L380R372-Y376 HydrophobicContact CB-CE2 4.27Å; R372-Y376 WeakPolarHBondContact O-CD2 3.47Å; R372-Y376 PolarHBondContact O-N 2.78Å; I373-Y376 PolarHBondContact O-N 3.22Å; E374-Y376 PolarHBondContact O-N 3.5Å; Y376-N379 PolarHBondContact O-N 3.44Å; Y376-L380 WeakPolarHBondContact O-CB 3.48Å; Y376-L380 PolarHBondContact O-N 2.89Å
377S84.4Confident83.8Confident55 Ų5576.5 Ų76.539%0.38539%0.39SS..Hα-helixtrans-64.4-45.4176.5-171.80000112I373 E374 R375 L380 S381I373-S377 PolarHBondContact O-N 3.15Å; E374-S377 WeakPolarHBondContact O-CB 3.23Å; E374-S377 PolarHBondContact O-N 2.83Å; E374-S377 VanDerWaalsContact O-N 3.16Å; R375-S377 VanDerWaalsContact C-N 3.31Å; R375-S377 PolarHBondContact O-N 2.67Å; S377-L380 PolarHBondContact O-N 3.32Å; S377-S381 PolarHBondContact O-N 3.01Å
378T83.5Confident84.1Confident81 Ų8174 Ų7450%0.49738%0.378SS..Hα-helixtrans-66.2-39.6176.456.20000112.3E374 R375 L380 S381 E382E374-T378 PolarHBondContact O-N 2.99Å; R375-T378 PolarHBondContact O-OG1 2.91Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.44Å; T378-S381 PolarHBondContact O-N 3.38Å; T378-S381 PolarHBondContact O-OG 3.4Å; T378-E382 PolarHBondContact O-N 2.9Å; T378-E382 VanDerWaalsContact O-N 3.07Å
379N84.3Confident84.5Confident81 Ų8177.2 Ų77.243%0.43338%0.383SS..Hα-helixtrans-65.6-35.9177.2-68.2-12.9000111.4R375 Y376 E382 V383R375-N379 WeakPolarHBondContact O-CB 3.45Å; R375-N379 PolarHBondContact O-N 3.44Å; R375-N379 PolarHBondContact O-ND2 2.85Å; R375-N379 PolarHBondContact O-OD1 3.16Å; Y376-N379 PolarHBondContact O-N 3.44Å; N379-E382 PolarHBondContact O-N 2.67Å; N379-V383 WeakPolarHBondContact O-CB 3.48Å; N379-V383 VanDerWaalsContact O-CG2 3.23Å; N379-V383 WeakPolarHBondContact O-CG2 3.34Å; N379-V383 PolarHBondContact O-N 3.11Å
380L82.2Confident84.6Confident23 Ų2378.4 Ų78.412%0.1239%0.39CS..Hα-helixtrans-65.6-42177.9-177.2148.4000112Y376 S377 T378 V383 L384 C424 L427 A428Y376-L380 WeakPolarHBondContact O-CB 3.48Å; Y376-L380 PolarHBondContact O-N 2.89Å; S377-L380 PolarHBondContact O-N 3.32Å; T378-L380 VanDerWaalsContact C-N 3.29Å; T378-L380 PolarHBondContact O-N 3.44Å; L380-V383 PolarHBondContact O-N 2.82Å; L380-L384 HydrophobicContact CD2-CD1 3.97Å; L380-L384 WeakPolarHBondContact O-CB 3.48Å; L380-L384 PolarHBondContact O-N 3.4Å; L380-C424 HydrophobicContact CD1-CB 4.37Å; L380-C424 HydrophobicContact CD2-CB 3.89Å; L380-C424 HydrophobicContact CG-CB 4.16Å; L380-L427 HydrophobicContact CD1-CB 3.79Å; L380-L427 HydrophobicContact CD1-CD2 3.53Å; L380-L427 HydrophobicContact CD1-CG 3.6Å; L380-A428 HydrophobicContact CD2-CB 4.25Å
381S83.6Confident84.7Confident73 Ų7377.7 Ų77.751%0.5139%0.386SS..Hα-helixtrans-67.5-37.3176.263.60000112.1S377 T378 L384 G385S377-S381 PolarHBondContact O-N 3.01Å; T378-S381 PolarHBondContact O-N 3.38Å; T378-S381 PolarHBondContact O-OG 3.4Å; S381-L384 PolarHBondContact O-N 2.69Å; S381-G385 PolarHBondContact O-N 3.32Å
382E85.4Confident84.8Confident119 Ų11980 Ų8056%0.55639%0.394SS*.Hα-helixtrans-64-47.4174.2-171.5-176.5171.100112T378 N379 L384 G385 N386T378-E382 PolarHBondContact O-N 2.9Å; T378-E382 VanDerWaalsContact O-N 3.07Å; N379-E382 PolarHBondContact O-N 2.67Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 2.81Å; E382-G385 PolarHBondContact O-N 3.45Å; E382-G385 VanDerWaalsContact O-N 3.13Å; E382-N386 PolarHBondContact O-N 2.68Å; E382-N386 PolarHBondContact O-ND2 3.07Å
383V82.7Confident84.9Confident77 Ų7776 Ų7647%0.46739%0.388SS..Hα-helixtrans-59.6-44.7177.21690000110.8N379 L380 G385 N386 I387N379-V383 WeakPolarHBondContact O-CB 3.48Å; N379-V383 VanDerWaalsContact O-CG2 3.23Å; N379-V383 WeakPolarHBondContact O-CG2 3.34Å; N379-V383 PolarHBondContact O-N 3.11Å; L380-V383 PolarHBondContact O-N 2.82Å; V383-G385 VanDerWaalsContact C-N 3.34Å; V383-G385 PolarHBondContact O-N 3.48Å; V383-N386 PolarHBondContact O-N 3.38Å; V383-I387 HydrophobicContact CG1-CD1 3.77Å; V383-I387 HydrophobicContact CG1-CG1 4.42Å; V383-I387 VanDerWaalsContact O-CG1 3.28Å; V383-I387 WeakPolarHBondContact O-CG1 3.31Å; V383-I387 PolarHBondContact O-N 3.28Å
384L85.6Confident84.8Confident34 Ų3477.3 Ų77.318%0.17840%0.395CS..Hα-helixtrans-60.5-42.6174-83.5-180000112.5L380 S381 E382 N386 I387 T388 V421 C424L380-L384 HydrophobicContact CD2-CD1 3.97Å; L380-L384 WeakPolarHBondContact O-CB 3.48Å; L380-L384 PolarHBondContact O-N 3.4Å; S381-L384 PolarHBondContact O-N 2.69Å; E382-L384 VanDerWaalsContact C-N 3.33Å; E382-L384 PolarHBondContact O-N 2.81Å; L384-N386 VanDerWaalsContact C-N 3.34Å; L384-N386 PolarHBondContact O-N 2.77Å; L384-I387 PolarHBondContact O-N 3.49Å; L384-T388 WeakPolarHBondContact O-CB 3.43Å; L384-T388 PolarHBondContact O-N 2.73Å; L384-T388 PolarHBondContact O-OG1 2.83Å; L384-V421 HydrophobicContact CD2-CG2 4.27Å; L384-C424 HydrophobicContact CD1-CB 3.48Å; L384-C424 VanDerWaalsContact CD1-CB 3.48Å; L384-C424 HydrophobicContact CD2-CB 3.6Å; L384-C424 VanDerWaalsContact CD2-SG 3.5Å; L384-C424 HydrophobicContact CG-CB 3.62Å
385G87Confident84.5Confident27 Ų2775.7 Ų75.728%0.27839%0.389SS..Hα-helixtrans-59.6-44.8175.300000112S381 E382 V383 T388 R389S381-G385 PolarHBondContact O-N 3.32Å; E382-G385 PolarHBondContact O-N 3.45Å; E382-G385 VanDerWaalsContact O-N 3.13Å; V383-G385 VanDerWaalsContact C-N 3.34Å; V383-G385 PolarHBondContact O-N 3.48Å; G385-T388 PolarHBondContact O-N 3.37Å; G385-R389 WeakPolarHBondContact O-CG 3.44Å; G385-R389 PolarHBondContact O-N 3.34Å
386N87.7Confident84.5Confident76 Ų7673.9 Ų73.941%0.40640%0.396SS..Hα-helixtrans-65.4-43178.2-70.7-24.4000112.3E382 V383 L384 T388 R389 L390E382-N386 PolarHBondContact O-N 2.68Å; E382-N386 PolarHBondContact O-ND2 3.07Å; V383-N386 PolarHBondContact O-N 3.38Å; L384-N386 VanDerWaalsContact C-N 3.34Å; L384-N386 PolarHBondContact O-N 2.77Å; N386-T388 VanDerWaalsContact C-N 3.3Å; N386-T388 PolarHBondContact O-N 3.45Å; N386-R389 PolarHBondContact O-N 3.27Å; N386-L390 WeakPolarHBondContact O-CB 3.27Å; N386-L390 PolarHBondContact O-N 3.33Å
387I84.8Confident84.3Confident58 Ų5870.3 Ų70.330%0.29739%0.386SS..Hα-helixtrans-61.5-40.8174.7-69.7168.7000110.6V383 L384 L390 K391 Y417V383-I387 HydrophobicContact CG1-CD1 3.77Å; V383-I387 HydrophobicContact CG1-CG1 4.42Å; V383-I387 VanDerWaalsContact O-CG1 3.28Å; V383-I387 WeakPolarHBondContact O-CG1 3.31Å; V383-I387 PolarHBondContact O-N 3.28Å; L384-I387 PolarHBondContact O-N 3.49Å; I387-L390 PolarHBondContact O-N 3.05Å; I387-K391 WeakPolarHBondContact O-CB 3.33Å; I387-K391 PolarHBondContact O-N 2.72Å; I387-Y417 HydrophobicContact CG2-CD2 3.67Å; I387-Y417 HydrophobicContact CG2-CE2 3.93Å
388T87.8Confident83.9Confident33 Ų3370.3 Ų70.320%0.20239%0.385CS..Hα-helixtrans-65.7-46.7178.8-53.90000111.5L384 G385 N386 L390 K391 E392 Y417L384-T388 WeakPolarHBondContact O-CB 3.43Å; L384-T388 PolarHBondContact O-N 2.73Å; L384-T388 PolarHBondContact O-OG1 2.83Å; G385-T388 PolarHBondContact O-N 3.37Å; N386-T388 VanDerWaalsContact C-N 3.3Å; N386-T388 PolarHBondContact O-N 3.45Å; T388-L390 VanDerWaalsContact C-N 3.33Å; T388-L390 PolarHBondContact O-N 2.96Å; T388-K391 WeakPolarHBondContact O-CB 3.44Å; T388-K391 PolarHBondContact O-N 3.27Å; T388-E392 WeakPolarHBondContact O-CG 3.38Å; T388-E392 PolarHBondContact O-N 3.47Å; T388-Y417 HydrophobicContact CG2-CE2 4.4Å; T388-Y417 WeakPolarHBondContact CG2-OH 3.34Å; T388-Y417 WeakPolarHBondContact OG1-CE2 3.45Å; T388-Y417 PolarHBondContact OG1-OH 3.18Å
389R88.6Confident83.3Confident175 Ų17570.8 Ų70.866%0.6639%0.389SS*.Hα-helixtrans-60.8-41.7174.8-71.1174.4-173.9169.51.7112.1G385 N386 E392 S393G385-R389 WeakPolarHBondContact O-CG 3.44Å; G385-R389 PolarHBondContact O-N 3.34Å; N386-R389 PolarHBondContact O-N 3.27Å; R389-E392 PolarHBondContact O-N 2.9Å; R389-S393 WeakPolarHBondContact O-CB 3.47Å; R389-S393 PolarHBondContact O-N 3.27Å; R389-S393 PolarHBondContact O-OG 3.43Å
390L83.9Confident82.8Confident104 Ų10475.5 Ų75.555%0.54541%0.409SS..Hα-helixtrans-62.1-47176.8-179.761.9000110.8N386 I387 T388 E392 S393 I394N386-L390 WeakPolarHBondContact O-CB 3.27Å; N386-L390 PolarHBondContact O-N 3.33Å; I387-L390 PolarHBondContact O-N 3.05Å; T388-L390 VanDerWaalsContact C-N 3.33Å; T388-L390 PolarHBondContact O-N 2.96Å; L390-E392 PolarHBondContact O-N 3.29Å; L390-S393 WeakPolarHBondContact CA-OG 3.42Å; L390-S393 PolarHBondContact O-N 2.75Å; L390-S393 PolarHBondContact O-OG 3.18Å; L390-I394 HydrophobicContact CD1-CD1 4.04Å; L390-I394 HydrophobicContact CD1-CG1 4.37Å; L390-I394 HydrophobicContact CG-CD1 3.94Å; L390-I394 VanDerWaalsContact O-CG1 3.3Å; L390-I394 WeakPolarHBondContact O-CG1 3.38Å; L390-I394 PolarHBondContact O-N 2.88Å
391K85.4Confident82.4Confident33 Ų3382.2 Ų82.214%0.14344%0.437CS..Hα-helixtrans-55.5-50.9174.3170.4-167.3170.5179.30111.6I387 T388 S393 I394 L395 E414 Y417I387-K391 WeakPolarHBondContact O-CB 3.33Å; I387-K391 PolarHBondContact O-N 2.72Å; T388-K391 WeakPolarHBondContact O-CB 3.44Å; T388-K391 PolarHBondContact O-N 3.27Å; K391-S393 VanDerWaalsContact C-N 3.32Å; K391-S393 PolarHBondContact O-N 3.05Å; K391-I394 PolarHBondContact O-N 3.01Å; K391-L395 HydrophobicContact CD-CD1 4.46Å; K391-L395 HydrophobicContact CG-CD1 3.83Å; K391-L395 HydrophobicContact CG-CG 4.4Å; K391-L395 WeakPolarHBondContact O-CB 3.08Å; K391-L395 WeakPolarHBondContact O-CG 3.35Å; K391-L395 PolarHBondContact O-N 3Å; K391-E414 WeakPolarHBondContact CE-OE2 3.31Å; K391-E414 IonicContact NZ-OE1 3.4Å; K391-E414 PolarHBondContact NZ-OE1 3.41Å; K391-E414 IonicContact NZ-OE2 3.37Å; K391-E414 PolarHBondContact NZ-OE2 2.97Å; K391-Y417 HydrophobicContact CB-CD2 4.31Å; K391-Y417 HydrophobicContact CD-CD1 3.76Å; K391-Y417 HydrophobicContact CD-CD2 3.64Å; K391-Y417 HydrophobicContact CD-CE1 4.08Å; K391-Y417 HydrophobicContact CD-CE2 3.99Å; K391-Y417 HydrophobicContact CD-CG 3.53Å; K391-Y417 VanDerWaalsContact NZ-CD1 3.32Å
392E85.5Confident81.7Confident117 Ų11780.4 Ų80.455%0.54742%0.424SS..Hα-helixtrans-62.1-40.4179.6-72.8172.4-179.700111.8T388 R389 L390 I394 L395 S396T388-E392 WeakPolarHBondContact O-CG 3.38Å; T388-E392 PolarHBondContact O-N 3.47Å; R389-E392 PolarHBondContact O-N 2.9Å; L390-E392 PolarHBondContact O-N 3.29Å; E392-I394 VanDerWaalsContact C-N 3.33Å; E392-I394 PolarHBondContact O-N 3Å; E392-L395 PolarHBondContact O-N 2.91Å; E392-S396 VanDerWaalsContact O-CB 3.25Å; E392-S396 WeakPolarHBondContact O-CB 3.34Å; E392-S396 PolarHBondContact O-N 3.37Å; E392-S396 PolarHBondContact O-OG 2.8Å
393S85.2Confident80.8Confident56 Ų5679.9 Ų79.939%0.39243%0.431SS..Hα-helixtrans-61.7-40.8175.875.90000111.8R389 L390 K391 S396 L397R389-S393 WeakPolarHBondContact O-CB 3.47Å; R389-S393 PolarHBondContact O-N 3.27Å; R389-S393 PolarHBondContact O-OG 3.43Å; L390-S393 WeakPolarHBondContact CA-OG 3.42Å; L390-S393 PolarHBondContact O-N 2.75Å; L390-S393 PolarHBondContact O-OG 3.18Å; K391-S393 VanDerWaalsContact C-N 3.32Å; K391-S393 PolarHBondContact O-N 3.05Å; S393-S396 WeakPolarHBondContact CA-OG 3.33Å; S393-S396 PolarHBondContact O-OG 2.92Å; S393-S396 VanDerWaalsContact O-OG 3.07Å; S393-L397 WeakPolarHBondContact O-CG 3.33Å; S393-L397 PolarHBondContact O-N 3.39Å
394I81.7Confident80.3Confident41 Ų4183.8 Ų83.821%0.2144%0.444CS..Hα-helixtrans-70-43.7178.2-67.1166.2000110.9L390 K391 E392 S396 L397 L405 L413L390-I394 HydrophobicContact CD1-CD1 4.04Å; L390-I394 HydrophobicContact CD1-CG1 4.37Å; L390-I394 HydrophobicContact CG-CD1 3.94Å; L390-I394 VanDerWaalsContact O-CG1 3.3Å; L390-I394 WeakPolarHBondContact O-CG1 3.38Å; L390-I394 PolarHBondContact O-N 2.88Å; K391-I394 PolarHBondContact O-N 3.01Å; E392-I394 VanDerWaalsContact C-N 3.33Å; E392-I394 PolarHBondContact O-N 3Å; I394-S396 VanDerWaalsContact C-N 3.32Å; I394-S396 PolarHBondContact O-N 3.26Å; I394-L397 WeakPolarHBondContact O-CB 3.28Å; I394-L397 PolarHBondContact O-N 2.88Å; I394-L405 HydrophobicContact CG2-CD1 3.41Å; I394-L405 VanDerWaalsContact CG2-CD1 3.41Å; I394-L405 HydrophobicContact CG2-CD2 4.31Å; I394-L405 WeakPolarHBondContact O-CD2 3.37Å; I394-L413 HydrophobicContact CB-CD2 4.13Å; I394-L413 HydrophobicContact CD1-CD2 4.25Å; I394-L413 HydrophobicContact CG2-CD2 3.78Å
395L79.5Confident79.6Confident56 Ų5683 Ų8329%0.29344%0.44SS..Hα-helixtrans-72.6-24.7-178.1-68178.6000113.4K391 E392 R410 L413K391-L395 HydrophobicContact CD-CD1 4.46Å; K391-L395 HydrophobicContact CG-CD1 3.83Å; K391-L395 HydrophobicContact CG-CG 4.4Å; K391-L395 WeakPolarHBondContact O-CB 3.08Å; K391-L395 WeakPolarHBondContact O-CG 3.35Å; K391-L395 PolarHBondContact O-N 3Å; E392-L395 PolarHBondContact O-N 2.91Å; L395-R410 HydrophobicContact CD2-CB 4.03Å; L395-R410 HydrophobicContact CD2-CG 3.82Å; L395-L413 HydrophobicContact CD2-CD2 4.48Å
396S82.8Confident79.1Confident92 Ų9285 Ų8564%0.64345%0.447SS*.THydrogen-bonded Turntrans-84.2-7.6175.258.50000113.8E392 S393 I394E392-S396 VanDerWaalsContact O-CB 3.25Å; E392-S396 WeakPolarHBondContact O-CB 3.34Å; E392-S396 PolarHBondContact O-N 3.37Å; E392-S396 PolarHBondContact O-OG 2.8Å; S393-S396 WeakPolarHBondContact CA-OG 3.33Å; S393-S396 PolarHBondContact O-OG 2.92Å; S393-S396 VanDerWaalsContact O-OG 3.07Å; I394-S396 VanDerWaalsContact C-N 3.32Å; I394-S396 PolarHBondContact O-N 3.26Å
397L79.4Confident78.6Confident66 Ų6686.3 Ų86.335%0.34646%0.462SS..SBendtrans-62.6129.9174.1-73.9169.2000110.1S393 I394 C402S393-L397 WeakPolarHBondContact O-CG 3.33Å; S393-L397 PolarHBondContact O-N 3.39Å; I394-L397 WeakPolarHBondContact O-CB 3.28Å; I394-L397 PolarHBondContact O-N 2.88Å; L397-C402 HydrophobicContact CD1-CB 4.48Å
398P75.1Confident78.3Confident55 Ų5588.3 Ų88.336%0.35747%0.47SS..  trans-62.6145.4174.425.6-32.5000109.8E400 K401P398-E400 PolarHBondContact O-N 2.84Å; P398-E400 VanDerWaalsContact O-N 3.09Å; P398-K401 HydrophobicContact CG-CB 4.15Å; P398-K401 HydrophobicContact CG-CD 3.78Å; P398-K401 HydrophobicContact CG-CG 3.85Å; P398-K401 PolarHBondContact O-N 2.91Å
399P70.5Confident78Confident91 Ų9190.4 Ų90.459%0.59148%0.48SS*.THydrogen-bonded Turntrans-58.2-28.1-176.723.8-33.5000112.6K401 C402P399-K401 VanDerWaalsContact C-N 3.3Å; P399-K401 PolarHBondContact O-N 3.01Å; P399-C402 CarbonylContact O-C 3.29Å; P399-C402 VanDerWaalsContact O-C 3.29Å; P399-C402 PolarHBondContact O-N 3.03Å
400E74.7Confident77.7Confident179 Ų17986.3 Ų86.384%0.83646%0.464SS*.THydrogen-bonded Turntrans-62-33.6175.6-62.3178.1178.900113.4P398P398-E400 PolarHBondContact O-N 2.84Å; P398-E400 VanDerWaalsContact O-N 3.09Å
401K73.5Confident77.7Confident164 Ų16488.1 Ų88.171%0.71347%0.47SS*.THydrogen-bonded Turntrans-84.9-20.2-179-72.6-174.4-178-1780113P398 P399P398-K401 HydrophobicContact CG-CB 4.15Å; P398-K401 HydrophobicContact CG-CD 3.78Å; P398-K401 HydrophobicContact CG-CG 3.85Å; P398-K401 PolarHBondContact O-N 2.91Å; P399-K401 VanDerWaalsContact C-N 3.3Å; P399-K401 PolarHBondContact O-N 3.01Å
402C69.4Low77.7Confident35 Ų3594 Ų9424%0.23649%0.491CS..  trans-144.674.8-177.8-156.30000109.6L397 P399 E404 L405L397-C402 HydrophobicContact CD1-CB 4.48Å; P399-C402 CarbonylContact O-C 3.29Å; P399-C402 VanDerWaalsContact O-C 3.29Å; P399-C402 PolarHBondContact O-N 3.03Å; C402-E404 PolarHBondContact O-N 3.21Å; C402-L405 HydrophobicContact CB-CB 3.95Å; C402-L405 WeakPolarHBondContact O-CB 3.43Å; C402-L405 PolarHBondContact O-N 2.92Å
403P66.5Low77.6Confident108 Ų10890.6 Ų90.670%0.70148%0.477SS*.THydrogen-bonded Turntrans-64-26-179.125.1-33.6000112.2L405P403-L405 PolarHBondContact O-N 2.73Å
404E71.7Confident77.7Confident159 Ų15991.8 Ų91.874%0.74348%0.476SS*.THydrogen-bonded Turntrans-69.9-14.1173.5-62.9-177.6177.500113.3C402 T406 L409C402-E404 PolarHBondContact O-N 3.21Å; E404-T406 PolarHBondContact O-N 2.84Å; E404-L409 WeakPolarHBondContact O-CD2 3.38Å
405L71.2Confident77.9Confident17 Ų1795.4 Ų95.49%0.08949%0.49CS..  trans-75.956.2176.8-153.489.3000111.5I394 C402 P403 L409 R410I394-L405 HydrophobicContact CG2-CD1 3.41Å; I394-L405 VanDerWaalsContact CG2-CD1 3.41Å; I394-L405 HydrophobicContact CG2-CD2 4.31Å; I394-L405 WeakPolarHBondContact O-CD2 3.37Å; C402-L405 HydrophobicContact CB-CB 3.95Å; C402-L405 WeakPolarHBondContact O-CB 3.43Å; C402-L405 PolarHBondContact O-N 2.92Å; P403-L405 PolarHBondContact O-N 2.73Å; L405-L409 HydrophobicContact CD1-CD2 4.26Å; L405-R410 HydrophobicContact CD2-CG 4Å; L405-R410 HydrophobicContact CG-CG 3.97Å; L405-R410 PolarHBondContact O-NE 3.44Å
406T75.9Confident78.1Confident71 Ų7195.7 Ų95.744%0.43650%0.497SS..  trans-59.3158.5176.363.20000110.7E404 E408 L409 R410E404-T406 PolarHBondContact O-N 2.84Å; T406-E408 PolarHBondContact O-N 2.81Å; T406-L409 PolarHBondContact O-N 3.26Å; T406-L409 PolarHBondContact OG1-N 3.06Å; T406-R410 WeakPolarHBondContact O-CG 3.4Å; T406-R410 PolarHBondContact O-N 2.93Å
407S76.8Confident78.4Confident103 Ų10393.3 Ų93.372%0.7247%0.474SS*.Hα-helixtrans-53.9-35.417452.90000112.2R410 Q411S407-R410 PolarHBondContact O-N 3.42Å; S407-Q411 WeakPolarHBondContact O-CB 3.28Å; S407-Q411 PolarHBondContact O-N 3.44Å
408E79.5Confident78.8Confident100 Ų10092.5 Ų92.547%0.46747%0.474SS..Hα-helixtrans-65-45.2175.9-168-177.1169.900112T406 R410 Q411 R412T406-E408 PolarHBondContact O-N 2.81Å; E408-R410 PolarHBondContact O-N 3.28Å; E408-Q411 PolarHBondContact O-N 3.03Å; E408-R412 WeakPolarHBondContact O-CG 3.43Å; E408-R412 PolarHBondContact O-N 3.01Å; E408-R412 IonicContact OE1-CZ 2.72Å; E408-R412 IonicContact OE1-NE 3.03Å; E408-R412 PolarHBondContact OE1-NE 3.22Å; E408-R412 IonicContact OE1-NH2 2.67Å; E408-R412 PolarHBondContact OE1-NH2 3.35Å
409L82.4Confident79.4Confident77 Ų7797.5 Ų97.540%0.40349%0.486SS..Hα-helixtrans-65.7-39.8178-169.664.4000111.5E404 L405 T406 Q411 R412 L413E404-L409 WeakPolarHBondContact O-CD2 3.38Å; L405-L409 HydrophobicContact CD1-CD2 4.26Å; T406-L409 PolarHBondContact O-N 3.26Å; T406-L409 PolarHBondContact OG1-N 3.06Å; L409-Q411 VanDerWaalsContact C-N 3.31Å; L409-Q411 PolarHBondContact O-N 3.29Å; L409-R412 PolarHBondContact O-N 3.31Å; L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 PolarHBondContact O-N 2.97Å
410R82.1Confident80Confident88 Ų8894.6 Ų94.633%0.33247%0.469SS..Hα-helixtrans-58.7-43.4173-66.1179.4-176.2-153.2-8.3111.5L395 L405 T406 S407 E408 L413 E414L395-R410 HydrophobicContact CD2-CB 4.03Å; L395-R410 HydrophobicContact CD2-CG 3.82Å; L405-R410 HydrophobicContact CD2-CG 4Å; L405-R410 HydrophobicContact CG-CG 3.97Å; L405-R410 PolarHBondContact O-NE 3.44Å; T406-R410 WeakPolarHBondContact O-CG 3.4Å; T406-R410 PolarHBondContact O-N 2.93Å; S407-R410 PolarHBondContact O-N 3.42Å; E408-R410 PolarHBondContact O-N 3.28Å; R410-L413 PolarHBondContact O-N 3.12Å; R410-E414 PolarHBondContact O-N 3.35Å
411Q83.9Confident80.6Confident142 Ų14287.6 Ų87.666%0.66444%0.439SS*.Hα-helixtrans-66.3-40177.7-168.5-177.516.800112.1S407 E408 L409 E414 K415S407-Q411 WeakPolarHBondContact O-CB 3.28Å; S407-Q411 PolarHBondContact O-N 3.44Å; E408-Q411 PolarHBondContact O-N 3.03Å; L409-Q411 VanDerWaalsContact C-N 3.31Å; L409-Q411 PolarHBondContact O-N 3.29Å; Q411-E414 PolarHBondContact O-N 2.73Å; Q411-K415 WeakPolarHBondContact O-CB 3.38Å; Q411-K415 PolarHBondContact O-N 2.81Å
412R83.7Confident81.3Confident157 Ų15784.3 Ų84.359%0.59243%0.428SS*.Hα-helixtrans-63.4-42.1174.3-70.6177.8-175.4-162.42.1111.4E408 L409 K415 S416E408-R412 WeakPolarHBondContact O-CG 3.43Å; E408-R412 PolarHBondContact O-N 3.01Å; E408-R412 IonicContact OE1-CZ 2.72Å; E408-R412 IonicContact OE1-NE 3.03Å; E408-R412 PolarHBondContact OE1-NE 3.22Å; E408-R412 IonicContact OE1-NH2 2.67Å; E408-R412 PolarHBondContact OE1-NH2 3.35Å; L409-R412 PolarHBondContact O-N 3.31Å; R412-K415 PolarHBondContact O-N 3.46Å; R412-S416 PolarHBondContact O-N 2.76Å
413L84.4Confident82Confident46 Ų4685.3 Ų85.324%0.24144%0.439CS..Hα-helixtrans-61.5-47175.5-172.168.6000110.8I394 L395 L409 R410 K415 S416 Y417I394-L413 HydrophobicContact CB-CD2 4.13Å; I394-L413 HydrophobicContact CD1-CD2 4.25Å; I394-L413 HydrophobicContact CG2-CD2 3.78Å; L395-L413 HydrophobicContact CD2-CD2 4.48Å; L409-L413 WeakPolarHBondContact O-CB 3.33Å; L409-L413 PolarHBondContact O-N 2.97Å; R410-L413 PolarHBondContact O-N 3.12Å; L413-K415 VanDerWaalsContact C-N 3.33Å; L413-K415 PolarHBondContact O-N 3.46Å; L413-S416 PolarHBondContact O-N 2.9Å; L413-S416 VanDerWaalsContact O-N 3.14Å; L413-S416 PolarHBondContact O-OG 3.4Å; L413-Y417 WeakPolarHBondContact O-CB 3.31Å; L413-Y417 PolarHBondContact O-N 3.1Å
414E86.5Confident82.8Confident80 Ų8081.1 Ų81.137%0.37441%0.412SS..Hα-helixtrans-59.2-42.4176.4-168.361.3-138.400112.3K391 R410 Q411 S416 Y417 S418K391-E414 WeakPolarHBondContact CE-OE2 3.31Å; K391-E414 IonicContact NZ-OE1 3.4Å; K391-E414 PolarHBondContact NZ-OE1 3.41Å; K391-E414 IonicContact NZ-OE2 3.37Å; K391-E414 PolarHBondContact NZ-OE2 2.97Å; R410-E414 PolarHBondContact O-N 3.35Å; Q411-E414 PolarHBondContact O-N 2.73Å; E414-S416 VanDerWaalsContact C-N 3.35Å; E414-S416 PolarHBondContact O-N 2.83Å; E414-Y417 PolarHBondContact O-N 3.39Å; E414-S418 WeakPolarHBondContact O-CB 3.32Å; E414-S418 PolarHBondContact O-N 3.03Å; E414-S418 PolarHBondContact O-OG 3.12Å
415K86.7Confident83.4Confident117 Ų11779.5 Ų79.551%0.50940%0.404SS..Hα-helixtrans-65.5-37.7176.3-169.4178.3-178.9-177.80112Q411 R412 L413 S418 R419Q411-K415 WeakPolarHBondContact O-CB 3.38Å; Q411-K415 PolarHBondContact O-N 2.81Å; R412-K415 PolarHBondContact O-N 3.46Å; L413-K415 VanDerWaalsContact C-N 3.33Å; L413-K415 PolarHBondContact O-N 3.46Å; K415-S418 WeakPolarHBondContact CA-OG 3.45Å; K415-S418 PolarHBondContact O-OG 3.12Å; K415-R419 VanDerWaalsContact O-CG 3.27Å; K415-R419 WeakPolarHBondContact O-CG 3.25Å; K415-R419 PolarHBondContact O-N 3.15Å
416S83.4Confident84.1Confident63 Ų6385.1 Ų85.144%0.44143%0.432SS..Hα-helixtrans-70.4-40.6175.972.80000112R412 L413 E414 R419 A420R412-S416 PolarHBondContact O-N 2.76Å; L413-S416 PolarHBondContact O-N 2.9Å; L413-S416 VanDerWaalsContact O-N 3.14Å; L413-S416 PolarHBondContact O-OG 3.4Å; E414-S416 VanDerWaalsContact C-N 3.35Å; E414-S416 PolarHBondContact O-N 2.83Å; S416-R419 PolarHBondContact O-N 2.9Å; S416-A420 PolarHBondContact O-N 3.13Å
417Y88.2Confident84.4Confident41 Ų4186.2 Ų86.216%0.16144%0.435CS..Hα-helixtrans-61.8-51.5175.8175.9-99.3000111.6I387 T388 K391 L413 E414 R419 A420 V421I387-Y417 HydrophobicContact CG2-CD2 3.67Å; I387-Y417 HydrophobicContact CG2-CE2 3.93Å; T388-Y417 HydrophobicContact CG2-CE2 4.4Å; T388-Y417 WeakPolarHBondContact CG2-OH 3.34Å; T388-Y417 WeakPolarHBondContact OG1-CE2 3.45Å; T388-Y417 PolarHBondContact OG1-OH 3.18Å; K391-Y417 HydrophobicContact CB-CD2 4.31Å; K391-Y417 HydrophobicContact CD-CD1 3.76Å; K391-Y417 HydrophobicContact CD-CD2 3.64Å; K391-Y417 HydrophobicContact CD-CE1 4.08Å; K391-Y417 HydrophobicContact CD-CE2 3.99Å; K391-Y417 HydrophobicContact CD-CG 3.53Å; K391-Y417 VanDerWaalsContact NZ-CD1 3.32Å; L413-Y417 WeakPolarHBondContact O-CB 3.31Å; L413-Y417 PolarHBondContact O-N 3.1Å; E414-Y417 PolarHBondContact O-N 3.39Å; Y417-R419 VanDerWaalsContact C-N 3.26Å; Y417-R419 PolarHBondContact O-N 3.24Å; Y417-A420 WeakPolarHBondContact O-CA 3.28Å; Y417-A420 WeakPolarHBondContact O-CB 3.33Å; Y417-A420 PolarHBondContact O-N 3.33Å; Y417-V421 HydrophobicContact CD1-CG2 4.08Å; Y417-V421 HydrophobicContact CE1-CG2 3.61Å; Y417-V421 HydrophobicContact CE2-CG2 4.08Å; Y417-V421 HydrophobicContact CG-CG2 4.5Å; Y417-V421 WeakPolarHBondContact O-CG2 3.18Å; Y417-V421 PolarHBondContact O-N 3.07Å
418S88.4Confident84.7Confident49 Ų4983 Ų8334%0.34341%0.414SS..Hα-helixtrans-58.1-38.4177.348.60000112.3E414 K415 V421 I422E414-S418 WeakPolarHBondContact O-CB 3.32Å; E414-S418 PolarHBondContact O-N 3.03Å; E414-S418 PolarHBondContact O-OG 3.12Å; K415-S418 WeakPolarHBondContact CA-OG 3.45Å; K415-S418 PolarHBondContact O-OG 3.12Å; S418-V421 PolarHBondContact O-N 3.37Å; S418-I422 WeakPolarHBondContact O-CD1 3.34Å; S418-I422 VanDerWaalsContact O-CG1 3.28Å; S418-I422 WeakPolarHBondContact O-CG1 3.35Å; S418-I422 PolarHBondContact O-N 3.11Å
419R87.7Confident84.9Confident161 Ų16179.7 Ų79.761%0.60841%0.407SS*.Hα-helixtrans-63.6-42.2172.1-75.2173.1174.9-175.2-3.9112.7K415 S416 Y417 I422 A423K415-R419 VanDerWaalsContact O-CG 3.27Å; K415-R419 WeakPolarHBondContact O-CG 3.25Å; K415-R419 PolarHBondContact O-N 3.15Å; S416-R419 PolarHBondContact O-N 2.9Å; Y417-R419 VanDerWaalsContact C-N 3.26Å; Y417-R419 PolarHBondContact O-N 3.24Å; R419-I422 PolarHBondContact O-N 3.22Å; R419-A423 WeakPolarHBondContact O-CB 3.42Å; R419-A423 PolarHBondContact O-N 3.35Å
420A83Confident84.8Confident30 Ų3078.3 Ų78.325%0.24841%0.406CS..Hα-helixtrans-63.9-42.6176.900000111.5S416 Y417 A423 C424S416-A420 PolarHBondContact O-N 3.13Å; Y417-A420 WeakPolarHBondContact O-CA 3.28Å; Y417-A420 WeakPolarHBondContact O-CB 3.33Å; Y417-A420 PolarHBondContact O-N 3.33Å; A420-A423 PolarHBondContact O-N 3.03Å; A420-C424 WeakPolarHBondContact O-CB 3.49Å; A420-C424 PolarHBondContact O-N 2.88Å; A420-C424 PolarHBondContact O-SG 3.12Å; A420-C424 VanDerWaalsContact O-SG 3.34Å
421V87.8Confident85Confident32 Ų3275.1 Ų75.119%0.19440%0.396CS..Hα-helixtrans-58.9-50.3175.2173.50000110.9L384 Y417 S418 A423 C424 E425L384-V421 HydrophobicContact CD2-CG2 4.27Å; Y417-V421 HydrophobicContact CD1-CG2 4.08Å; Y417-V421 HydrophobicContact CE1-CG2 3.61Å; Y417-V421 HydrophobicContact CE2-CG2 4.08Å; Y417-V421 HydrophobicContact CG-CG2 4.5Å; Y417-V421 WeakPolarHBondContact O-CG2 3.18Å; Y417-V421 PolarHBondContact O-N 3.07Å; S418-V421 PolarHBondContact O-N 3.37Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 3.48Å; V421-C424 PolarHBondContact O-N 3.36Å; V421-C424 VanDerWaalsContact O-N 3.17Å; V421-E425 HydrophobicContact CG1-CG 4.36Å; V421-E425 WeakPolarHBondContact O-CG 3.36Å; V421-E425 PolarHBondContact O-N 2.98Å
422I88.2Confident85.1Confident94 Ų9476.6 Ų76.648%0.48240%0.395SS..Hα-helixtrans-59.1-43.5178.1-66.8163.7000111.2S418 R419 C424 E425 M426S418-I422 WeakPolarHBondContact O-CD1 3.34Å; S418-I422 VanDerWaalsContact O-CG1 3.28Å; S418-I422 WeakPolarHBondContact O-CG1 3.35Å; S418-I422 PolarHBondContact O-N 3.11Å; R419-I422 PolarHBondContact O-N 3.22Å; I422-C424 VanDerWaalsContact C-N 3.33Å; I422-C424 PolarHBondContact O-N 3.4Å; I422-E425 PolarHBondContact O-N 3.16Å; I422-M426 HydrophobicContact CG2-CG 4.5Å; I422-M426 HydrophobicContact CG2-SD 4.34Å; I422-M426 WeakPolarHBondContact O-CB 3.47Å; I422-M426 WeakPolarHBondContact O-CG 2.99Å; I422-M426 PolarHBondContact O-N 3.32Å
423A83.5Confident85.2Confident57 Ų5773 Ų7347%0.47139%0.388SS..Hα-helixtrans-62.6-41.2178.400000112R419 A420 V421 M426 L427R419-A423 WeakPolarHBondContact O-CB 3.42Å; R419-A423 PolarHBondContact O-N 3.35Å; A420-A423 PolarHBondContact O-N 3.03Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 3.48Å; A423-M426 PolarHBondContact O-N 3.08Å; A423-L427 WeakPolarHBondContact O-CB 3.41Å; A423-L427 PolarHBondContact O-N 3.21Å
424C83.9Confident85.1Confident20 Ų2074.9 Ų74.914%0.13540%0.397CS..Hα-helixtrans-69.2-38.9176.3-710000112.5L380 L384 A420 V421 I422 L427 A428L380-C424 HydrophobicContact CD1-CB 4.37Å; L380-C424 HydrophobicContact CD2-CB 3.89Å; L380-C424 HydrophobicContact CG-CB 4.16Å; L384-C424 HydrophobicContact CD1-CB 3.48Å; L384-C424 VanDerWaalsContact CD1-CB 3.48Å; L384-C424 HydrophobicContact CD2-CB 3.6Å; L384-C424 VanDerWaalsContact CD2-SG 3.5Å; L384-C424 HydrophobicContact CG-CB 3.62Å; A420-C424 WeakPolarHBondContact O-CB 3.49Å; A420-C424 PolarHBondContact O-N 2.88Å; A420-C424 PolarHBondContact O-SG 3.12Å; A420-C424 VanDerWaalsContact O-SG 3.34Å; V421-C424 PolarHBondContact O-N 3.36Å; V421-C424 VanDerWaalsContact O-N 3.17Å; I422-C424 VanDerWaalsContact C-N 3.33Å; I422-C424 PolarHBondContact O-N 3.4Å; C424-L427 PolarHBondContact O-N 3.43Å; C424-A428 VanDerWaalsContact O-CB 3.31Å; C424-A428 WeakPolarHBondContact O-CB 3.28Å; C424-A428 PolarHBondContact O-N 3.16Å
425E84.3Confident85Confident125 Ų12572.8 Ų72.858%0.58439%0.388SS*.Hα-helixtrans-62.7-42.2173.4-74.6179.4171.200111.8V421 I422 A428 G429V421-E425 HydrophobicContact CG1-CG 4.36Å; V421-E425 WeakPolarHBondContact O-CG 3.36Å; V421-E425 PolarHBondContact O-N 2.98Å; I422-E425 PolarHBondContact O-N 3.16Å; E425-A428 PolarHBondContact O-N 2.9Å; E425-G429 PolarHBondContact O-N 2.98Å
426M85Confident84.9Confident135 Ų13571.6 Ų71.667%0.66539%0.387SS*.Hα-helixtrans-61.4-45174.5-76.4-176.158.200111.8I422 A423 G429 A430I422-M426 HydrophobicContact CG2-CG 4.5Å; I422-M426 HydrophobicContact CG2-SD 4.34Å; I422-M426 WeakPolarHBondContact O-CB 3.47Å; I422-M426 WeakPolarHBondContact O-CG 2.99Å; I422-M426 PolarHBondContact O-N 3.32Å; A423-M426 PolarHBondContact O-N 3.08Å; M426-G429 PolarHBondContact O-N 3.2Å; M426-A430 PolarHBondContact O-N 2.92Å
427L83Confident84.8Confident94 Ų9473.7 Ų73.749%0.49239%0.389SS..Hα-helixtrans-66.8-41.7178.5-179.956.9000111.4L380 A423 C424 G429 A430 L431L380-L427 HydrophobicContact CD1-CB 3.79Å; L380-L427 HydrophobicContact CD1-CD2 3.53Å; L380-L427 HydrophobicContact CD1-CG 3.6Å; A423-L427 WeakPolarHBondContact O-CB 3.41Å; A423-L427 PolarHBondContact O-N 3.21Å; C424-L427 PolarHBondContact O-N 3.43Å; L427-G429 VanDerWaalsContact C-N 3.33Å; L427-G429 PolarHBondContact O-N 3.36Å; L427-A430 PolarHBondContact O-N 2.97Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CG 3.33Å; L427-L431 PolarHBondContact O-N 3.33Å
428A82.5Confident84.4Confident36 Ų3672.1 Ų72.130%0.29838%0.384SS..Hα-helixtrans-61.3-41.7173.800000111.8L380 C424 E425 A430 L431 R432L380-A428 HydrophobicContact CD2-CB 4.25Å; C424-A428 VanDerWaalsContact O-CB 3.31Å; C424-A428 WeakPolarHBondContact O-CB 3.28Å; C424-A428 PolarHBondContact O-N 3.16Å; E425-A428 PolarHBondContact O-N 2.9Å; A428-A430 PolarHBondContact O-N 3.33Å; A428-L431 PolarHBondContact O-N 3.49Å; A428-R432 WeakPolarHBondContact O-CB 3.44Å; A428-R432 PolarHBondContact O-N 3.37Å
429G83.7Confident84.1Confident30 Ų3072.3 Ų72.331%0.30939%0.389SS..Hα-helixtrans-61.4-41.7174.100000112.8E425 M426 L427 N433E425-G429 PolarHBondContact O-N 2.98Å; M426-G429 PolarHBondContact O-N 3.2Å; L427-G429 VanDerWaalsContact C-N 3.33Å; L427-G429 PolarHBondContact O-N 3.36Å; G429-N433 WeakPolarHBondContact O-CB 3Å; G429-N433 PolarHBondContact O-N 2.9Å
430A81.7Confident83.7Confident47 Ų4767.9 Ų67.939%0.38838%0.379SS..Hα-helixtrans-66.2-44.5175.700000112.2M426 L427 A428 R432 N433 I434M426-A430 PolarHBondContact O-N 2.92Å; L427-A430 PolarHBondContact O-N 2.97Å; A428-A430 PolarHBondContact O-N 3.33Å; A430-R432 PolarHBondContact O-N 3.48Å; A430-N433 PolarHBondContact O-N 3.13Å; A430-I434 WeakPolarHBondContact O-CG1 3.14Å; A430-I434 PolarHBondContact O-N 2.88Å
431L84.7Confident83.4Confident21 Ų2170.6 Ų70.611%0.1139%0.389CS..Hα-helixtrans-61.1-44176.6-70.6175.5000111.3I373 L427 A428 N433 I434 M435I373-L431 HydrophobicContact CG1-CD2 4.43Å; I373-L431 HydrophobicContact CG2-CB 3.95Å; I373-L431 HydrophobicContact CG2-CD2 3.92Å; I373-L431 HydrophobicContact CG2-CG 4.41Å; L427-L431 HydrophobicContact CD1-CG 4.36Å; L427-L431 HydrophobicContact CG-CD1 4.41Å; L427-L431 WeakPolarHBondContact O-CG 3.33Å; L427-L431 PolarHBondContact O-N 3.33Å; A428-L431 PolarHBondContact O-N 3.49Å; L431-N433 PolarHBondContact O-N 2.88Å; L431-I434 PolarHBondContact O-N 2.88Å; L431-M435 WeakPolarHBondContact O-CG 3.39Å; L431-M435 PolarHBondContact O-N 3.08Å
432R86.7Confident83Confident174 Ų17470 Ų7066%0.65739%0.385SS*.Hα-helixtrans-60.7-44.6175.3-176.5173.561.6172.8-1111.9A428 A430 I434 M435 D436A428-R432 WeakPolarHBondContact O-CB 3.44Å; A428-R432 PolarHBondContact O-N 3.37Å; A430-R432 PolarHBondContact O-N 3.48Å; R432-I434 VanDerWaalsContact C-N 3.31Å; R432-I434 PolarHBondContact O-N 3.15Å; R432-M435 WeakPolarHBondContact O-CB 3.38Å; R432-M435 PolarHBondContact O-N 3.43Å; R432-M435 VanDerWaalsContact O-N 3.15Å; R432-D436 VanDerWaalsContact O-CG 3.3Å; R432-D436 PolarHBondContact O-N 2.82Å
433N85.8Confident82.5Confident82 Ų8268.7 Ų68.744%0.43938%0.384SS..Hα-helixtrans-61.1-40.4177.6-168.122.9000111.9G429 A430 L431 D436 H437G429-N433 WeakPolarHBondContact O-CB 3Å; G429-N433 PolarHBondContact O-N 2.9Å; A430-N433 PolarHBondContact O-N 3.13Å; L431-N433 PolarHBondContact O-N 2.88Å; N433-D436 PolarHBondContact O-N 3.28Å; N433-H437 PolarHBondContact O-N 3.03Å; N433-H437 VanDerWaalsContact O-N 3.15Å; N433-H437 PolarHBondContact O-ND1 3.05Å; N433-H437 PolarHBondContact OD1-CE1 3.12Å; N433-H437 PolarHBondContact OD1-ND1 3.27Å
434I82Confident82Confident84 Ų8471 Ų7143%0.43139%0.385SS..Hα-helixtrans-65.4-41.4175.6-63.5165000110.6I373 A430 L431 R432 H437 L438I373-I434 HydrophobicContact CD1-CB 4.22Å; I373-I434 HydrophobicContact CD1-CG2 3.47Å; I373-I434 VanDerWaalsContact CD1-CG2 3.47Å; A430-I434 WeakPolarHBondContact O-CG1 3.14Å; A430-I434 PolarHBondContact O-N 2.88Å; L431-I434 PolarHBondContact O-N 2.88Å; R432-I434 VanDerWaalsContact C-N 3.31Å; R432-I434 PolarHBondContact O-N 3.15Å; I434-H437 PolarHBondContact O-N 3.13Å; I434-L438 WeakPolarHBondContact O-CB 3.37Å; I434-L438 PolarHBondContact O-N 3.18Å
435M85.3Confident81.3Confident36 Ų3671.8 Ų71.818%0.17739%0.385CS..Hα-helixtrans-59.9-44.2175.6-74.6-68.7-61.900112.3Q370 I373 E374 L431 R432 H437 L438 A439Q370-M435 HydrophobicContact CB-SD 4.49Å; Q370-M435 HydrophobicContact CG-CE 3.37Å; Q370-M435 HydrophobicContact CG-SD 3.63Å; I373-M435 HydrophobicContact CB-CG 4.24Å; I373-M435 HydrophobicContact CB-SD 3.76Å; I373-M435 HydrophobicContact CD1-CG 4.49Å; I373-M435 HydrophobicContact CD1-SD 4.12Å; I373-M435 HydrophobicContact CG2-CG 3.4Å; I373-M435 VanDerWaalsContact CG2-CG 3.4Å; I373-M435 HydrophobicContact CG2-SD 3.6Å; I373-M435 VanDerWaalsContact CG2-SD 3.6Å; E374-M435 HydrophobicContact CG-CE 4.04Å; E374-M435 HydrophobicContact CG-SD 4.5Å; L431-M435 WeakPolarHBondContact O-CG 3.39Å; L431-M435 PolarHBondContact O-N 3.08Å; R432-M435 WeakPolarHBondContact O-CB 3.38Å; R432-M435 PolarHBondContact O-N 3.43Å; R432-M435 VanDerWaalsContact O-N 3.15Å; M435-H437 PolarHBondContact O-N 3.16Å; M435-L438 PolarHBondContact O-N 2.98Å; M435-A439 WeakPolarHBondContact O-CB 2.84Å; M435-A439 PolarHBondContact O-N 3.33Å
436D85Confident80.6Confident92 Ų9270.8 Ų70.849%0.49238%0.384SS..Hα-helixtrans-62.1-45.4178.8-66.6-24000110.9R432 N433 L438 A439 T440R432-D436 VanDerWaalsContact O-CG 3.3Å; R432-D436 PolarHBondContact O-N 2.82Å; N433-D436 PolarHBondContact O-N 3.28Å; D436-L438 VanDerWaalsContact C-N 3.32Å; D436-L438 PolarHBondContact O-N 2.87Å; D436-A439 PolarHBondContact O-N 3.18Å; D436-T440 PolarHBondContact O-N 2.97Å; D436-T440 PolarHBondContact O-OG1 2.91Å
437H81.2Confident79.5Confident107 Ų10770.4 Ų70.450%0.49538%0.384SS..Hα-helixtrans-63.9-37.4175.4-70.9107.4000112.7N433 I434 M435 T440 L441N433-H437 PolarHBondContact O-N 3.03Å; N433-H437 VanDerWaalsContact O-N 3.15Å; N433-H437 PolarHBondContact O-ND1 3.05Å; N433-H437 PolarHBondContact OD1-CE1 3.12Å; N433-H437 PolarHBondContact OD1-ND1 3.27Å; I434-H437 PolarHBondContact O-N 3.13Å; M435-H437 PolarHBondContact O-N 3.16Å; H437-T440 VanDerWaalsContact C-OG1 3.31Å; H437-T440 WeakPolarHBondContact CA-OG1 3.47Å; H437-T440 PolarHBondContact O-N 3.17Å; H437-T440 PolarHBondContact O-OG1 3.26Å; H437-L441 VanDerWaalsContact O-CG 3.32Å; H437-L441 WeakPolarHBondContact O-CG 3.29Å; H437-L441 PolarHBondContact O-N 2.72Å
438L79.5Confident78.3Confident9 Ų975.1 Ų75.15%0.04740%0.397CS..Hα-helixtrans-69.4-39.8178-166.1121.4000111.1L366 I369 Q370 I434 M435 D436 L441 L442L366-L438 HydrophobicContact CB-CD1 4.04Å; L366-L438 HydrophobicContact CB-CG 4.33Å; L366-L438 HydrophobicContact CD2-CD1 3.53Å; L366-L438 HydrophobicContact CD2-CG 4.28Å; L366-L438 HydrophobicContact CG-CD1 4.37Å; I369-L438 HydrophobicContact CB-CD1 4.21Å; I369-L438 HydrophobicContact CG2-CD1 3.95Å; Q370-L438 HydrophobicContact CB-CD2 3.48Å; Q370-L438 VanDerWaalsContact CB-CD2 3.48Å; Q370-L438 HydrophobicContact CG-CD2 3.74Å; I434-L438 WeakPolarHBondContact O-CB 3.37Å; I434-L438 PolarHBondContact O-N 3.18Å; M435-L438 PolarHBondContact O-N 2.98Å; D436-L438 VanDerWaalsContact C-N 3.32Å; D436-L438 PolarHBondContact O-N 2.87Å; L438-L441 PolarHBondContact O-N 3.03Å; L438-L442 HydrophobicContact CD2-CD1 3.68Å; L438-L442 HydrophobicContact CD2-CG 4.47Å; L438-L442 HydrophobicContact CG-CD1 4.38Å; L438-L442 WeakPolarHBondContact O-CB 3.38Å; L438-L442 WeakPolarHBondContact O-CG 3.4Å; L438-L442 PolarHBondContact O-N 3.44Å
439A81.6Confident77.1Confident53 Ų5376.3 Ų76.344%0.43840%0.398SS..Hα-helixtrans-62.6-41.9173.700000111.6M435 D436 L441 L442 S443M435-A439 WeakPolarHBondContact O-CB 2.84Å; M435-A439 PolarHBondContact O-N 3.33Å; D436-A439 PolarHBondContact O-N 3.18Å; A439-L441 PolarHBondContact O-N 3.07Å; A439-L442 PolarHBondContact O-N 2.62Å; A439-S443 WeakPolarHBondContact O-CB 3.3Å; A439-S443 PolarHBondContact O-N 3.01Å; A439-S443 PolarHBondContact O-OG 3.4Å
440T79.2Confident75.7Confident68 Ų6883 Ų8342%0.41741%0.414SS..Hα-helixtrans-61-45.317451.60000111.5D436 H437 L442 S443 E444D436-T440 PolarHBondContact O-N 2.97Å; D436-T440 PolarHBondContact O-OG1 2.91Å; H437-T440 VanDerWaalsContact C-OG1 3.31Å; H437-T440 WeakPolarHBondContact CA-OG1 3.47Å; H437-T440 PolarHBondContact O-N 3.17Å; H437-T440 PolarHBondContact O-OG1 3.26Å; T440-L442 PolarHBondContact O-N 3.49Å; T440-S443 PolarHBondContact O-N 3.24Å; T440-S443 PolarHBondContact O-OG 3.47Å; T440-E444 WeakPolarHBondContact O-CG 3.47Å; T440-E444 PolarHBondContact O-N 3.17Å
441L77.3Confident74.2Confident87 Ų8785.8 Ų85.846%0.45543%0.428SS..Hα-helixtrans-62.6-41.7178.4-73.4169.2000112.5L366 H437 L438 A439 Y445L366-L441 HydrophobicContact CD1-CB 4.47Å; H437-L441 VanDerWaalsContact O-CG 3.32Å; H437-L441 WeakPolarHBondContact O-CG 3.29Å; H437-L441 PolarHBondContact O-N 2.72Å; L438-L441 PolarHBondContact O-N 3.03Å; A439-L441 PolarHBondContact O-N 3.07Å; L441-Y445 WeakPolarHBondContact O-CB 3.47Å; L441-Y445 PolarHBondContact O-N 2.84Å
442L78.6Confident72.8Confident18 Ų1890.8 Ų90.89%0.09446%0.459CS..Hα-helixtrans-67.7-37.1176.5-71.3172000111.7V363 L366 L367 L438 A439 T440 Y445 N446V363-L442 HydrophobicContact CG1-CD2 3.82Å; L366-L442 HydrophobicContact CB-CD2 4.15Å; L367-L442 HydrophobicContact CD2-CD1 3.83Å; L367-L442 HydrophobicContact CD2-CD2 4.3Å; L367-L442 HydrophobicContact CG-CD2 4.28Å; L438-L442 HydrophobicContact CD2-CD1 3.68Å; L438-L442 HydrophobicContact CD2-CG 4.47Å; L438-L442 HydrophobicContact CG-CD1 4.38Å; L438-L442 WeakPolarHBondContact O-CB 3.38Å; L438-L442 WeakPolarHBondContact O-CG 3.4Å; L438-L442 PolarHBondContact O-N 3.44Å; A439-L442 PolarHBondContact O-N 2.62Å; T440-L442 PolarHBondContact O-N 3.49Å; L442-Y445 PolarHBondContact O-N 2.95Å; L442-N446 VanDerWaalsContact O-CG 3.27Å; L442-N446 PolarHBondContact O-N 2.85Å; L442-N446 PolarHBondContact O-ND2 2.99Å
443S78.3Confident71.1Confident67 Ų6790 Ų9047%0.46946%0.463SS..Hα-helixtrans-67.3-42176.776.40000112.4A439 T440 Y445 N446 L447A439-S443 WeakPolarHBondContact O-CB 3.3Å; A439-S443 PolarHBondContact O-N 3.01Å; A439-S443 PolarHBondContact O-OG 3.4Å; T440-S443 PolarHBondContact O-N 3.24Å; T440-S443 PolarHBondContact O-OG 3.47Å; S443-Y445 VanDerWaalsContact C-N 3.35Å; S443-N446 PolarHBondContact O-N 3.33Å; S443-L447 PolarHBondContact O-N 2.93Å
444E73.2Confident69.3Low107 Ų10792 Ų9250%0.547%0.473SS..Hα-helixtrans-62.3-44.9174.9-73.7179.7-17900110T440 N446 L447 Y448T440-E444 WeakPolarHBondContact O-CG 3.47Å; T440-E444 PolarHBondContact O-N 3.17Å; E444-N446 PolarHBondContact O-N 3.06Å; E444-L447 WeakPolarHBondContact O-CB 3.48Å; E444-L447 PolarHBondContact O-N 2.9Å; E444-L447 VanDerWaalsContact O-N 3.12Å; E444-Y448 HydrophobicContact CB-CE2 4.41Å; E444-Y448 WeakPolarHBondContact O-CD2 3.37Å; E444-Y448 PolarHBondContact O-N 3.09Å
445Y69.2Low67.4Low35 Ų3594 Ų9414%0.13748%0.484CS..Hα-helixtrans-58.6-43.7174.8177.1-102000112.9L359 V363 L441 L442 S443 L447 Y448 N449L359-Y445 HydrophobicContact CB-CE2 3.93Å; V363-Y445 HydrophobicContact CB-CD1 4.25Å; V363-Y445 HydrophobicContact CB-CE1 4.03Å; V363-Y445 HydrophobicContact CG1-CD1 3.93Å; V363-Y445 HydrophobicContact CG1-CE1 3.8Å; V363-Y445 HydrophobicContact CG2-CD1 3.46Å; V363-Y445 VanDerWaalsContact CG2-CD1 3.46Å; V363-Y445 HydrophobicContact CG2-CD2 3.59Å; V363-Y445 HydrophobicContact CG2-CE1 3.56Å; V363-Y445 HydrophobicContact CG2-CE2 3.71Å; V363-Y445 HydrophobicContact CG2-CG 3.45Å; V363-Y445 VanDerWaalsContact CG2-CG 3.45Å; L441-Y445 WeakPolarHBondContact O-CB 3.47Å; L441-Y445 PolarHBondContact O-N 2.84Å; L442-Y445 PolarHBondContact O-N 2.95Å; S443-Y445 VanDerWaalsContact C-N 3.35Å; Y445-L447 VanDerWaalsContact C-N 3.26Å; Y445-L447 PolarHBondContact O-N 3.02Å; Y445-Y448 PolarHBondContact O-N 2.93Å; Y445-N449 WeakPolarHBondContact CE1-ND2 3.49Å; Y445-N449 PolarHBondContact O-N 2.76Å; Y445-N449 PolarHBondContact OH-ND2 2.94Å; Y445-N449 VanDerWaalsContact OH-ND2 3.1Å
446N68.4Low65.7Low104 Ų10498.5 Ų98.556%0.55651%0.509SS*.Hα-helixtrans-64.2-32176.7-71.9-26.2000112.4L442 S443 E444 N449 R450L442-N446 VanDerWaalsContact O-CG 3.27Å; L442-N446 PolarHBondContact O-N 2.85Å; L442-N446 PolarHBondContact O-ND2 2.99Å; S443-N446 PolarHBondContact O-N 3.33Å; E444-N446 PolarHBondContact O-N 3.06Å; N446-N449 PolarHBondContact O-N 3.06Å; N446-R450 PolarHBondContact O-N 2.86Å; N446-R450 VanDerWaalsContact O-N 3.16Å
447L62.2Low63.8Low127 Ų127101 Ų10167%0.66552%0.522SS*.Hα-helixtrans-68-40.2173.8-164.372.6000111.5S443 E444 Y445 N449 R450S443-L447 PolarHBondContact O-N 2.93Å; E444-L447 WeakPolarHBondContact O-CB 3.48Å; E444-L447 PolarHBondContact O-N 2.9Å; E444-L447 VanDerWaalsContact O-N 3.12Å; Y445-L447 VanDerWaalsContact C-N 3.26Å; Y445-L447 PolarHBondContact O-N 3.02Å; L447-N449 VanDerWaalsContact C-N 3.25Å; L447-N449 PolarHBondContact O-N 3.5Å; L447-R450 PolarHBondContact O-N 3.3Å
448Y57.9Low62.1Low193 Ų193103.9 Ų103.976%0.75754%0.541SS*.Hα-helixtrans-65.6-27.3174.5-73.5-69.7000113.3E444 Y445E444-Y448 HydrophobicContact CB-CE2 4.41Å; E444-Y448 WeakPolarHBondContact O-CD2 3.37Å; E444-Y448 PolarHBondContact O-N 3.09Å; Y445-Y448 PolarHBondContact O-N 2.93Å
449N57.8Low60.2Low62 Ų62107.3 Ų107.333%0.33257%0.57SS.*THydrogen-bonded Turntrans-90.2-5.1177.2-77.2-9.4000114.3Y445 N446 L447 P451Y445-N449 WeakPolarHBondContact CE1-ND2 3.49Å; Y445-N449 PolarHBondContact O-N 2.76Å; Y445-N449 PolarHBondContact OH-ND2 2.94Å; Y445-N449 VanDerWaalsContact OH-ND2 3.1Å; N446-N449 PolarHBondContact O-N 3.06Å; L447-N449 VanDerWaalsContact C-N 3.25Å; L447-N449 PolarHBondContact O-N 3.5Å; N449-P451 WeakPolarHBondContact O-CD 3.3Å
450R53.9Low58.4Low170 Ų170109.7 Ų109.764%0.64258%0.584SS**SBendtrans-69124.8176-155.9176.8-166.6-176.81.8107.3N446 L447 V452N446-R450 PolarHBondContact O-N 2.86Å; N446-R450 VanDerWaalsContact O-N 3.16Å; L447-R450 PolarHBondContact O-N 3.3Å; R450-V452 PolarHBondContact O-N 2.97Å; R450-V452 VanDerWaalsContact O-N 3.13Å
451P51.5Low56.5Low105 Ų105115.8 Ų115.868%0.68261%0.607SS**  trans-54.2127174.621-30.3000107.6N449 E453N449-P451 WeakPolarHBondContact O-CD 3.3Å; P451-E453 PolarHBondContact O-N 3.08Å
452V53.3Low55Low126 Ų126118.5 Ų118.576%0.76462%0.622SS**  trans-62.6107.3171.6177.30000105.2R450 I454R450-V452 PolarHBondContact O-N 2.97Å; R450-V452 VanDerWaalsContact O-N 3.13Å; V452-I454 HydrophobicContact CG1-CG1 4.14Å; V452-I454 PolarHBondContact O-N 2.86Å
453E50.9Low53.5Low158 Ų158126 Ų12674%0.73866%0.657SS**  trans-63.692.9166.3-70.2172.5-167.400105.9P451 N455P451-E453 PolarHBondContact O-N 3.08Å; E453-N455 PolarHBondContact O-N 2.95Å; E453-N455 VanDerWaalsContact O-N 3.09Å
454I49.2Very low51.8Low125 Ų125132.1 Ų132.164%0.64168%0.678SS**  trans-69.4105.9168.2-58.6173.5000104V452 D456V452-I454 HydrophobicContact CG1-CG1 4.14Å; V452-I454 PolarHBondContact O-N 2.86Å; I454-D456 VanDerWaalsContact C-N 3.3Å; I454-D456 PolarHBondContact O-N 3.02Å
455N42.5Very low50.2Low125 Ų125136.1 Ų136.167%0.66870%0.697SS**  trans-62.8100.1165.4-94.8-17.8000106.7E453 N457E453-N455 PolarHBondContact O-N 2.95Å; E453-N455 VanDerWaalsContact O-N 3.09Å; N455-N457 PolarHBondContact O-N 3.22Å
456D48.9Very low48.9Very low130 Ų130143.4 Ų143.470%0.69573%0.732SS**  trans-66.13172.7-71.2-29.6000112.5I454 L458 A459I454-D456 VanDerWaalsContact C-N 3.3Å; I454-D456 PolarHBondContact O-N 3.02Å; D456-L458 PolarHBondContact O-N 3.28Å; D456-A459 PolarHBondContact O-N 2.99Å
457N45.5Very low47.5Very low145 Ų145147.9 Ų147.978%0.77575%0.749SS**THydrogen-bonded Turntrans-69.412.5173.3-78.331.1000114.6N455N455-N457 PolarHBondContact O-N 3.22Å
458L44.7Very low46.5Very low168 Ų168147 Ų14788%0.8875%0.754SS**THydrogen-bonded Turntrans-91.74.3167.6-77.8166.8000113.2D456D456-L458 PolarHBondContact O-N 3.28Å
459A40Very low45.5Very low81 Ų81143.3 Ų143.367%0.66976%0.756SS**  trans-78.1118.7151.400000106.7D456D456-A459 PolarHBondContact O-N 2.99Å
460S42.7Very low44.5Very low103 Ų103147.4 Ų147.472%0.7278%0.778SS**  cis-165.5104.121.3450000106D462S460-D462 VanDerWaalsContact C-N 3.28Å
461E40.8Very low44Very low196 Ų196146.5 Ų146.592%0.91679%0.786SS**  trans-101.849159.4-69.3-171.8175.400107.9
462D44.6Very low43.4Very low144 Ų144150.5 Ų150.577%0.7780%0.796SS**  trans-109.398.8169.8-83.8-22.3000107.5S460S460-D462 VanDerWaalsContact C-N 3.28Å
463E47.8Very low42.6Very low175 Ų175152.7 Ų152.782%0.81880%0.798SS**  trans56.7110.9136.6-54.1-166.1167.700117.5E465E463-E465 PolarHBondContact O-N 2.98Å; E463-E465 VanDerWaalsContact O-N 3.15Å
464E41.7Very low42Very low195 Ų195151.7 Ų151.791%0.91181%0.805SS**  trans-42117.7165.3-58.9-167.1164.700110.5E466E464-E466 PolarHBondContact O-N 3.15Å
465E40.1Very low41.2Very low191 Ų191148.8 Ų148.889%0.89381%0.806SS**  trans-56.6100.6172.2-64.7177.6156.500108.8E463 E467E463-E465 PolarHBondContact O-N 2.98Å; E463-E465 VanDerWaalsContact O-N 3.15Å; E465-E467 PolarHBondContact O-N 2.84Å; E465-E467 VanDerWaalsContact O-N 3.09Å
466E41.9Very low41.1Very low189 Ų189148.9 Ų148.988%0.88381%0.813SS**  trans-68.1106.5161.2-74.9-132.6165.600107.8E464 S468E464-E466 PolarHBondContact O-N 3.15Å; E466-S468 PolarHBondContact O-N 3.09Å
467E38.8Very low40.6Very low197 Ų197148 Ų14892%0.92182%0.818SS**  trans-44.390.8170.4-77.3172.3133.200111.5E465 S469E465-E467 PolarHBondContact O-N 2.84Å; E465-E467 VanDerWaalsContact O-N 3.09Å; E467-S469 PolarHBondContact O-N 3.24Å
468S41.6Very low40Very low108 Ų108152.9 Ų152.976%0.75583%0.825SS**  trans-83.2105.5164.676.60000108.2E466 D470E466-S468 PolarHBondContact O-N 3.09Å; S468-D470 PolarHBondContact O-N 3.26Å
469S37.5Very low39.6Very low116 Ų116149.2 Ų149.281%0.81182%0.819SS**  trans-31.2114.3173.653.70000114.3E467E467-S469 PolarHBondContact O-N 3.24Å
470D35.8Very low39.2Very low148 Ų148156.8 Ų156.879%0.79183%0.83SS**  trans-56.8167.6160.6-82-47.5000112.8S468S468-D470 PolarHBondContact O-N 3.26Å
471D44.6Very low38.8Very low151 Ų151167.4 Ų167.481%0.80785%0.854SS**  trans93.666.3161.7-63-27.3000117.6
472E38.4Very low38.7Very low189 Ų189166 Ų16688%0.88385%0.851SS**SBendtrans-154.9107.5134.2-116.5173.5-17000113
473Q36.5Very low38.4Very low172 Ų172167.1 Ų167.180%0.80486%0.855SS**  trans126.2106.4142.7-62.5-149.8-24.600115.4G475Q473-G475 PolarHBondContact O-N 3.33Å
474P38.2Very low37.9Very low138 Ų138166.7 Ų166.790%0.89686%0.858SS**  trans-76.592.1169.431.7-29.4000109.3
475G33.3Very low37.7Very low64 Ų64165 Ų16566%0.6685%0.854SS**  trans-78.8138.1168.400000111.4Q473Q473-G475 PolarHBondContact O-N 3.33Å
476P39.4Very low37.5Very low126 Ų126163.4 Ų163.482%0.81885%0.852SS**  trans-77.7144.5-152.130.2-34.7000114.3R478P476-R478 PolarHBondContact O-N 3.03Å
477S39.1Very low37.2Very low113 Ų113161.7 Ų161.779%0.7985%0.85SS**  trans-45.3114.3166.340.90000113.6
478R31.6Very low37.1Very low247 Ų247159.1 Ų159.193%0.93285%0.845SS**  37.592.6123.3-155-177.4-161.7-164.96.5115.9P476P476-R478 PolarHBondContact O-N 3.03Å
479A36.3Very low36.8Very low90 Ų90163.1 Ų163.174%0.74485%0.852SS**  trans-158.2120.1153.400000113.9
480R31.8Very low36.7Very low241 Ų241167 Ų16791%0.90986%0.855SS**  trans55.7105.1146-73.6177.2163.3-174.7-4.1118.8
481R35.4Very low36.8Very low325 Ų325168.7 Ų168.7100%1.22686%0.861SS**  -174.9097.2-102.5178.5-179.4177.61.2111.7

Retrieved 481 of 481 residues in 134.1 ms (Link to these results)