A0A077Z755_TRITR Loading...

Splicing factor, arginine:serine rich 8

AlphaFold DB , UniProt , Accession A0A077Z755, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 735 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
1M45.3Very low53.5Low245 Ų245173.5 Ų173.5100%1.20785%0.852SS**  0152.10-69.3158.1172.900108.2
2K45.2Very low54.8Low210 Ų210174.3 Ų174.391%0.91385%0.852SS**PPolyproline II helixtrans-101.7123171.8-78-176.7175.9178.90108.5
3E57Low56.2Low180 Ų180173.2 Ų173.284%0.84185%0.851SS**PPolyproline II helixtrans-77.2150.1171.1-67.2-153.2149.300111.4
4P53.3Low57.4Low114 Ų114172.4 Ų172.474%0.7485%0.851SS**PPolyproline II helixtrans-76.6132.4177.830.9-33.8000111.2R6P4-R6 PolarHBondContact O-N 2.83Å
5N49.7Very low58.5Low164 Ų164169.7 Ų169.788%0.87785%0.848SS**  trans-61.3101173.7-75-42.6000110.9S7N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 3.16Å
6R50.6Low59.6Low221 Ų221169.7 Ų169.783%0.83484%0.841SS**  trans-7187163.7-79.8-170.1174-169.20.4109.5P4 F8P4-R6 PolarHBondContact O-N 2.83Å; R6-F8 PolarHBondContact O-N 2.84Å
7S52.8Low60.9Low109 Ų109163.7 Ų163.776%0.76283%0.833SS**  trans-64101.2163.7540000109N5N5-S7 VanDerWaalsContact C-N 3.28Å; N5-S7 PolarHBondContact O-N 3.16Å
8F55.5Low61.9Low179 Ų179165.9 Ų165.979%0.78583%0.831SS**  trans-59.1135.5167.2-68.4-88.8000108.8R6 K10R6-F8 PolarHBondContact O-N 2.84Å; F8-K10 PolarHBondContact O-N 3.42Å
9P58.7Low62.7Low112 Ų112164.3 Ų164.373%0.72783%0.833SS**  trans-60.6134.2172.426.9-33.4000108.6Q11P9-Q11 PolarHBondContact O-N 3.22Å
10K60.8Low62.8Low196 Ų196160.8 Ų160.885%0.85282%0.824SS**  trans-64.6109.8173.2-66.7178.7-178.2176.20107.6F8 E12F8-K10 PolarHBondContact O-N 3.42Å; K10-E12 PolarHBondContact O-N 3.08Å; K10-E12 VanDerWaalsContact O-N 3.15Å
11Q59.8Low63.5Low179 Ų179161.3 Ų161.384%0.83682%0.82SS**  trans-71.4106.1169.6-71.1179.6-42.500107.7P9 L13P9-Q11 PolarHBondContact O-N 3.22Å; Q11-L13 PolarHBondContact O-N 3.27Å
12E68.7Low64.5Low182 Ų182156.7 Ų156.785%0.8580%0.799SS**  trans-70.8115.5176.3-63.7-171.2146.800109.1K10 L14K10-E12 PolarHBondContact O-N 3.08Å; K10-E12 VanDerWaalsContact O-N 3.15Å; E12-L14 PolarHBondContact O-N 3.1Å; E12-L14 VanDerWaalsContact O-N 3.12Å
13L73.6Confident65.7Low161 Ų161155.4 Ų155.484%0.84379%0.79SS**  trans-76.598.1179.8-78.5165.8000109.8Q11 V15Q11-L13 PolarHBondContact O-N 3.27Å; L13-V15 PolarHBondContact O-N 3.45Å
14L72.3Confident65.9Low162 Ų162154.1 Ų154.185%0.84878%0.782SS**  trans-73.295.2173.5-164.977000110.3E12E12-L14 PolarHBondContact O-N 3.1Å; E12-L14 VanDerWaalsContact O-N 3.12Å
15V74.2Confident66Low132 Ų132154.2 Ų154.280%0.878%0.776SS**  trans-89109.5175.6-178.10000109.4L13L13-V15 PolarHBondContact O-N 3.45Å
16F75.8Confident66.5Low169 Ų169153.1 Ų153.174%0.74177%0.766SS**  trans-94.4149.2166.563.6-87.5000110.5
17G81.7Confident66.8Low68 Ų68150.2 Ų150.270%0.70177%0.766SS**  trans-159.9144.917900000111.5
18Y79.8Confident66.8Low204 Ų204151.2 Ų151.280%0.876%0.757SS**  trans-83.5141.7179.5-59.5-83.4000111C20Y18-C20 PolarHBondContact O-N 3.33Å
19P76.5Confident66.5Low135 Ų135148.7 Ų148.788%0.87776%0.759SS**  trans-70.992.3175.429.3-34.4000110.7
20C64.6Low66Low94 Ų94147.6 Ų147.664%0.63577%0.768SS**  trans-80.7134.5173.460.40000111.3Y18 L22Y18-C20 PolarHBondContact O-N 3.33Å; C20-L22 PolarHBondContact O-N 3Å
21K77.5Confident65.4Low171 Ų171140.2 Ų140.274%0.74375%0.747SS**  trans-76.989.8170-73.9-176.9177.7177.40109.2Y23K21-Y23 HydrophobicContact CB-CD2 4.27Å; K21-Y23 HydrophobicContact CB-CE2 3.73Å; K21-Y23 WeakPolarHBondContact O-CD2 3.36Å; K21-Y23 PolarHBondContact O-N 3.22Å
22L65.4Low65Low148 Ų148135.7 Ų135.778%0.77574%0.735SS**  trans-70.492.8170.5-72.7177.3000110.1C20 K24C20-L22 PolarHBondContact O-N 3Å; L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 3.36Å
23Y70.5Confident64.4Low184 Ų184136.1 Ų136.172%0.72273%0.734SS**  trans-68.291.4169.3-68.4-88.1000109.6K21 N25K21-Y23 HydrophobicContact CB-CD2 4.27Å; K21-Y23 HydrophobicContact CB-CE2 3.73Å; K21-Y23 WeakPolarHBondContact O-CD2 3.36Å; K21-Y23 PolarHBondContact O-N 3.22Å; Y23-N25 PolarHBondContact O-N 3.2Å
24K61.4Low63.7Low153 Ų153134.5 Ų134.567%0.66573%0.726SS**  trans-65.3116166.5-63-162.9-171.7175.60109.1L22 E26L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 3.36Å; K24-E26 HydrophobicContact CB-CG 3.76Å; K24-E26 HydrophobicContact CD-CG 3.88Å; K24-E26 WeakPolarHBondContact CD-OE1 3.35Å; K24-E26 WeakPolarHBondContact CE-OE1 3.23Å; K24-E26 IonicContact NZ-OE1 2.69Å; K24-E26 PolarHBondContact NZ-OE1 3.3Å; K24-E26 IonicContact NZ-OE2 2.83Å; K24-E26 PolarHBondContact O-N 2.91Å
25N56.1Low63.2Low115 Ų115131.4 Ų131.462%0.61571%0.711SS**  trans-80.467.9169.6-66.1-66000110Y23 D27 K28Y23-N25 PolarHBondContact O-N 3.2Å; N25-D27 PolarHBondContact O-N 3.49Å; N25-K28 HydrophobicContact CB-CD 4.28Å; N25-K28 HydrophobicContact CB-CG 4.44Å
26E59.7Low62.8Low142 Ų142132.1 Ų132.166%0.66470%0.703SS**THydrogen-bonded Turntrans-73.4-17.8178.4-55.8-158.7150.200112.3K24 K28K24-E26 HydrophobicContact CB-CG 3.76Å; K24-E26 HydrophobicContact CD-CG 3.88Å; K24-E26 WeakPolarHBondContact CD-OE1 3.35Å; K24-E26 WeakPolarHBondContact CE-OE1 3.23Å; K24-E26 IonicContact NZ-OE1 2.69Å; K24-E26 PolarHBondContact NZ-OE1 3.3Å; K24-E26 IonicContact NZ-OE2 2.83Å; K24-E26 PolarHBondContact O-N 2.91Å; E26-K28 VanDerWaalsContact C-N 3.32Å; E26-K28 PolarHBondContact O-N 3.13Å
27D57.6Low62.6Low159 Ų159126.4 Ų126.485%0.8569%0.692SS**THydrogen-bonded Turntrans-85.620178.3-55.4-59.7000115.2N25N25-D27 PolarHBondContact O-N 3.49Å
28K52.7Low62.7Low131 Ų131126.4 Ų126.457%0.5768%0.676SS**SBendtrans-112.2113.7177.5-76.2-170.1177.3-179.30112.1N25 E26 G30N25-K28 HydrophobicContact CB-CD 4.28Å; N25-K28 HydrophobicContact CB-CG 4.44Å; E26-K28 VanDerWaalsContact C-N 3.32Å; E26-K28 PolarHBondContact O-N 3.13Å; K28-G30 PolarHBondContact O-N 3.19Å
29P50.1Low62.8Low126 Ų126119.8 Ų119.882%0.81865%0.653SS**  trans-76.4121.3-174.229.3-34.4000112.9G31P29-G31 VanDerWaalsContact C-N 3.25Å; P29-G31 PolarHBondContact O-N 3.04Å
30G47.7Very low63.2Low89 Ų89115.5 Ų115.592%0.91863%0.625SS**SBendtrans67-11147.400000120.3K28K28-G30 PolarHBondContact O-N 3.19Å
31G47.9Very low64.1Low40 Ų40112 Ų11241%0.41260%0.6SS.*  trans-72.9144.2-176.100000114.4P29P29-G31 VanDerWaalsContact C-N 3.25Å; P29-G31 PolarHBondContact O-N 3.04Å
32S51Low64.1Low84 Ų84108.8 Ų108.859%0.58759%0.591SS**  trans-52.8137.8174.6-530000112.1D34 F36S32-D34 PolarHBondContact O-N 3.49Å; S32-D34 VanDerWaalsContact O-N 3.14Å; S32-F36 WeakPolarHBondContact O-CD2 3.38Å; S32-F36 WeakPolarHBondContact O-CE2 3.43Å
33K56.3Low64.8Low192 Ų192104.4 Ų104.484%0.83558%0.582SS**THydrogen-bonded Turntrans-69.3-14.3-169.6-74.7-179.9175.9174.60114.9
34D59.9Low65.3Low127 Ų127100 Ų10068%0.67957%0.571SS**THydrogen-bonded Turntrans-92.7-24.3-154.9-47.2-56.5000113.5S32S32-D34 PolarHBondContact O-N 3.49Å; S32-D34 VanDerWaalsContact O-N 3.14Å
35D61.1Low66.3Low97 Ų97100.7 Ų100.752%0.51957%0.574SS.*SBendtrans-99.8-20.5-174.3-64.4-43.2000115G37 L38 L48D35-G37 PolarHBondContact O-N 2.96Å; D35-L38 PolarHBondContact O-N 3.46Å; D35-L48 WeakPolarHBondContact OD1-CD1 3.49Å
36F65.8Low67.7Low146 Ų146103 Ų10364%0.6459%0.586SS**THydrogen-bonded Turntrans-66.3-11.1-166-80.7-78.5000116.5S32S32-F36 WeakPolarHBondContact O-CD2 3.38Å; S32-F36 WeakPolarHBondContact O-CE2 3.43Å
37G71.4Confident68.8Low49 Ų4999.8 Ų99.851%0.50557%0.573SS.*THydrogen-bonded Turntrans-101.6-12.5175.300000114.6D35D35-G37 PolarHBondContact O-N 2.96Å
38L83.5Confident70.1Confident69 Ų6995.5 Ų95.536%0.36155%0.55SS..EExtended strand (participates in β ladder)trans-102.8150.4-166.3-52.9177.6000112.5D35 L48 I49D35-L38 PolarHBondContact O-N 3.46Å; L38-L48 HydrophobicContact CB-CB 3.87Å; L38-L48 HydrophobicContact CD1-CB 3.79Å; L38-L48 HydrophobicContact CD1-CD1 4.37Å; L38-L48 HydrophobicContact CG-CB 4.45Å; L38-I49 CarbonylContact C-O 3.45Å; L38-I49 VanDerWaalsContact CA-O 3.3Å; L38-I49 WeakPolarHBondContact CA-O 3.37Å
39I82.5Confident71.6Confident65 Ų6589.5 Ų89.533%0.33352%0.523SS..EExtended strand (participates in β ladder)trans-125.3137.7-179.3-56.2-176.1000108.7L41 I49 R51I39-L41 PolarHBondContact O-N 3.15Å; I39-I49 PolarHBondContact N-O 3.25Å; I39-I49 WeakPolarHBondContact O-CG1 3.44Å; I39-I49 PolarHBondContact O-N 3.26Å; I39-R51 HydrophobicContact CD1-CB 3.91Å; I39-R51 HydrophobicContact CD1-CG 3.77Å; I39-R51 HydrophobicContact CG1-CB 4.47Å
40P85.2Confident73.4Confident44 Ų4487.3 Ų87.329%0.28651%0.505SS..EExtended strand (participates in β ladder)trans-60.3116.9173.3-26.836.6000113N42 G43 K45 L48P40-N42 PolarHBondContact O-N 3.04Å; P40-G43 PolarHBondContact O-N 3.16Å; P40-K45 HydrophobicContact CG-CG 4.31Å; P40-L48 HydrophobicContact CG-CD2 4.08Å
41L82.3Confident75.2Confident21 Ų2191.1 Ų91.111%0.1149%0.492CS..EExtended strand (participates in β ladder)trans-59.5120.7174.4174.657.7000109.9I39 G43 N44 I47 I49 R55I39-L41 PolarHBondContact O-N 3.15Å; L41-G43 PolarHBondContact O-N 2.83Å; L41-N44 VanDerWaalsContact O-CB 3.32Å; L41-N44 WeakPolarHBondContact O-CB 3.47Å; L41-N44 PolarHBondContact O-N 3.07Å; L41-I47 HydrophobicContact CB-CB 4.23Å; L41-I47 HydrophobicContact CB-CG2 3.95Å; L41-I47 HydrophobicContact CD2-CG2 3.97Å; L41-I47 PolarHBondContact N-O 3.01Å; L41-I49 HydrophobicContact CB-CD1 3.73Å; L41-I49 HydrophobicContact CB-CG1 4.08Å; L41-I49 HydrophobicContact CB-CG2 4.38Å; L41-I49 HydrophobicContact CD1-CD1 3.67Å; L41-I49 HydrophobicContact CD2-CD1 4.43Å; L41-I49 HydrophobicContact CG-CD1 4.11Å; L41-R55 HydrophobicContact CD1-CB 4.44Å
42N78.8Confident76.8Confident104 Ų10498.1 Ų98.156%0.55651%0.507SS*.THydrogen-bonded Turntrans52.826.5-179.3-57.2-16.1000113.5P40 N44P40-N42 PolarHBondContact O-N 3.04Å; N42-N44 VanDerWaalsContact C-N 3.34Å
43G80.1Confident78.5Confident56 Ų5695.6 Ų95.658%0.57749%0.487SS*.THydrogen-bonded Turntrans85.9-7.4-17600000115.4P40 L41 K45P40-G43 PolarHBondContact O-N 3.16Å; L41-G43 PolarHBondContact O-N 2.83Å; G43-K45 PolarHBondContact O-N 3.22Å; G43-K45 VanDerWaalsContact O-N 3.08Å
44N80.6Confident79.8Confident91 Ų9191.3 Ų91.349%0.48748%0.48SS..EExtended strand (participates in β ladder)trans-74.498.8-179.6-67.6-30.6000110.8L41 N42 N46 I47L41-N44 VanDerWaalsContact O-CB 3.32Å; L41-N44 WeakPolarHBondContact O-CB 3.47Å; L41-N44 PolarHBondContact O-N 3.07Å; N42-N44 VanDerWaalsContact C-N 3.34Å; N44-N46 PolarHBondContact O-N 2.88Å; N44-I47 HydrophobicContact CB-CG1 4.46Å; N44-I47 CarbonylContact O-C 3.18Å; N44-I47 PolarHBondContact O-N 3.36Å
45K82.3Confident80.8Confident167 Ų16791 Ų9173%0.72647%0.469SS*.EExtended strand (participates in β ladder)trans-57.3-22.6-179.3-62.5-175.9-178.8-178.10114.2P40 G43 I47P40-K45 HydrophobicContact CG-CG 4.31Å; G43-K45 PolarHBondContact O-N 3.22Å; G43-K45 VanDerWaalsContact O-N 3.08Å; K45-I47 VanDerWaalsContact C-N 3.26Å; K45-I47 PolarHBondContact O-N 3.05Å
46N84.6Confident81.6Confident163 Ų16388.8 Ų88.887%0.87246%0.457SS*.EExtended strand (participates in β ladder)trans-75.3-14.4176.9-5714.7000112.9N44N44-N46 PolarHBondContact O-N 2.88Å
47I82.9Confident82.2Confident75 Ų7588.5 Ų88.539%0.38546%0.458SS..EExtended strand (participates in β ladder)trans-122.579.5-178.3-50.2177.4000107.9L41 N44 K45 I49L41-I47 HydrophobicContact CB-CB 4.23Å; L41-I47 HydrophobicContact CB-CG2 3.95Å; L41-I47 HydrophobicContact CD2-CG2 3.97Å; L41-I47 PolarHBondContact N-O 3.01Å; N44-I47 HydrophobicContact CB-CG1 4.46Å; N44-I47 CarbonylContact O-C 3.18Å; N44-I47 PolarHBondContact O-N 3.36Å; K45-I47 VanDerWaalsContact C-N 3.26Å; K45-I47 PolarHBondContact O-N 3.05Å; I47-I49 HydrophobicContact CG2-CG2 4.21Å
48L85.6Confident82.3Confident70 Ų7089.6 Ų89.637%0.36645%0.452SS..EExtended strand (participates in β ladder)trans-78128.6174.4-63.5179.6000109.9D35 L38 P40D35-L48 WeakPolarHBondContact OD1-CD1 3.49Å; L38-L48 HydrophobicContact CB-CB 3.87Å; L38-L48 HydrophobicContact CD1-CB 3.79Å; L38-L48 HydrophobicContact CD1-CD1 4.37Å; L38-L48 HydrophobicContact CG-CB 4.45Å; P40-L48 HydrophobicContact CG-CD2 4.08Å
49I84.3Confident81.8Confident4 Ų492.9 Ų92.92%0.02147%0.465CS..EExtended strand (participates in β ladder)trans-133.9157.9179.162172.6000111.4L38 I39 L41 I47 D53 R55 L56L38-I49 CarbonylContact C-O 3.45Å; L38-I49 VanDerWaalsContact CA-O 3.3Å; L38-I49 WeakPolarHBondContact CA-O 3.37Å; I39-I49 PolarHBondContact N-O 3.25Å; I39-I49 WeakPolarHBondContact O-CG1 3.44Å; I39-I49 PolarHBondContact O-N 3.26Å; L41-I49 HydrophobicContact CB-CD1 3.73Å; L41-I49 HydrophobicContact CB-CG1 4.08Å; L41-I49 HydrophobicContact CB-CG2 4.38Å; L41-I49 HydrophobicContact CD1-CD1 3.67Å; L41-I49 HydrophobicContact CD2-CD1 4.43Å; L41-I49 HydrophobicContact CG-CD1 4.11Å; I47-I49 HydrophobicContact CG2-CG2 4.21Å; I49-D53 HydrophobicContact CB-CB 4.08Å; I49-D53 HydrophobicContact CD1-CB 4.09Å; I49-D53 HydrophobicContact CG1-CB 4.33Å; I49-R55 HydrophobicContact CD1-CB 4.24Å; I49-L56 HydrophobicContact CD1-CD1 4.47Å; I49-L56 HydrophobicContact CD1-CD2 3.7Å; I49-L56 HydrophobicContact CD1-CG 3.66Å; I49-L56 HydrophobicContact CG1-CD2 4.32Å; I49-L56 HydrophobicContact CG1-CG 4.35Å
50D87.3Confident80.9Confident81 Ų8192.8 Ų92.843%0.43347%0.465SS..EExtended strand (participates in β ladder)trans-60144.7178.2-165.6-46.2000110.6Y52 D53 L56D50-Y52 PolarHBondContact O-N 3.45Å; D50-Y52 VanDerWaalsContact O-N 3.09Å; D50-Y52 WeakPolarHBondContact OD1-CD2 3.37Å; D50-Y52 PolarHBondContact OD1-N 2.86Å; D50-D53 HydrophobicContact CB-CB 4.21Å; D50-D53 WeakPolarHBondContact O-CB 3.28Å; D50-D53 PolarHBondContact O-N 3.16Å; D50-L56 VanDerWaalsContact O-CD1 3.26Å; D50-L56 WeakPolarHBondContact O-CD1 3.37Å
51R84.9Confident80.1Confident169 Ų16995.2 Ų95.264%0.63847%0.473SS*.THydrogen-bonded Turntrans-53.6-23170.2-173.3169.7-161.3152.25.7113.7I39 L56I39-R51 HydrophobicContact CD1-CB 3.91Å; I39-R51 HydrophobicContact CD1-CG 3.77Å; I39-R51 HydrophobicContact CG1-CB 4.47Å; R51-L56 WeakPolarHBondContact O-CD1 3.03Å
52Y81.6Confident79.4Confident186 Ų186101.1 Ų101.173%0.72950%0.5SS*.THydrogen-bonded Turntrans-106.68.5177.4-55.5-74.5000113.8D50 C54D50-Y52 PolarHBondContact O-N 3.45Å; D50-Y52 VanDerWaalsContact O-N 3.09Å; D50-Y52 WeakPolarHBondContact OD1-CD2 3.37Å; D50-Y52 PolarHBondContact OD1-N 2.86Å; Y52-C54 PolarHBondContact O-N 3.38Å
53D87.4Confident78.8Confident32 Ų32105.6 Ų105.617%0.17151%0.509CS..  trans-61.6134.4-179.6-168.4-59000111.9I49 D50 R55 L56 H57I49-D53 HydrophobicContact CB-CB 4.08Å; I49-D53 HydrophobicContact CD1-CB 4.09Å; I49-D53 HydrophobicContact CG1-CB 4.33Å; D50-D53 HydrophobicContact CB-CB 4.21Å; D50-D53 WeakPolarHBondContact O-CB 3.28Å; D50-D53 PolarHBondContact O-N 3.16Å; D53-R55 PolarHBondContact O-N 2.91Å; D53-R55 VanDerWaalsContact O-N 3.09Å; D53-R55 WeakPolarHBondContact OD1-CB 3.39Å; D53-R55 VanDerWaalsContact OD1-CG 3.28Å; D53-R55 WeakPolarHBondContact OD1-CG 3.41Å; D53-R55 IonicContact OD1-CZ 2.66Å; D53-R55 PolarHBondContact OD1-N 3.24Å; D53-R55 IonicContact OD1-NE 3.36Å; D53-R55 PolarHBondContact OD1-NE 2.87Å; D53-R55 IonicContact OD1-NH2 2.67Å; D53-R55 IonicContact OD2-CZ 2.92Å; D53-R55 IonicContact OD2-NE 2.69Å; D53-R55 PolarHBondContact OD2-NE 3.42Å; D53-R55 IonicContact OD2-NH2 3.93Å; D53-R55 PolarHBondContact OD2-NH2 3.46Å; D53-L56 WeakPolarHBondContact O-CB 3.49Å; D53-L56 PolarHBondContact O-N 3.06Å; D53-H57 PolarHBondContact O-ND1 3.17Å
54C82.9Confident78.2Confident102 Ų102110.9 Ų110.969%0.68951%0.512SS*.G310 helixtrans-57.2-27.5180-54.80000112.6Y52 L56 H57Y52-C54 PolarHBondContact O-N 3.38Å; C54-L56 VanDerWaalsContact C-N 3.28Å; C54-L56 PolarHBondContact O-N 3.09Å; C54-H57 WeakPolarHBondContact O-CB 3.37Å; C54-H57 PolarHBondContact O-N 3.31Å
55R82.6Confident77.3Confident120 Ų120113.6 Ų113.645%0.45352%0.52SS..G310 helixtrans-65.6-27.1177.9-64.6172.5-74.7-176.7-3.2113.1L41 I49 D53 H57 L58L41-R55 HydrophobicContact CD1-CB 4.44Å; I49-R55 HydrophobicContact CD1-CB 4.24Å; D53-R55 PolarHBondContact O-N 2.91Å; D53-R55 VanDerWaalsContact O-N 3.09Å; D53-R55 WeakPolarHBondContact OD1-CB 3.39Å; D53-R55 VanDerWaalsContact OD1-CG 3.28Å; D53-R55 WeakPolarHBondContact OD1-CG 3.41Å; D53-R55 IonicContact OD1-CZ 2.66Å; D53-R55 PolarHBondContact OD1-N 3.24Å; D53-R55 IonicContact OD1-NE 3.36Å; D53-R55 PolarHBondContact OD1-NE 2.87Å; D53-R55 IonicContact OD1-NH2 2.67Å; D53-R55 IonicContact OD2-CZ 2.92Å; D53-R55 IonicContact OD2-NE 2.69Å; D53-R55 PolarHBondContact OD2-NE 3.42Å; D53-R55 IonicContact OD2-NH2 3.93Å; D53-R55 PolarHBondContact OD2-NH2 3.46Å; R55-H57 PolarHBondContact O-N 3.45Å; R55-L58 PolarHBondContact O-N 2.62Å
56L78Confident76.1Confident51 Ų51114 Ų11427%0.26753%0.525SS..G310 helixtrans-65.7-21.2171.8-67.9173.6000112.9I49 D50 R51 D53 C54I49-L56 HydrophobicContact CD1-CD1 4.47Å; I49-L56 HydrophobicContact CD1-CD2 3.7Å; I49-L56 HydrophobicContact CD1-CG 3.66Å; I49-L56 HydrophobicContact CG1-CD2 4.32Å; I49-L56 HydrophobicContact CG1-CG 4.35Å; D50-L56 VanDerWaalsContact O-CD1 3.26Å; D50-L56 WeakPolarHBondContact O-CD1 3.37Å; R51-L56 WeakPolarHBondContact O-CD1 3.03Å; D53-L56 WeakPolarHBondContact O-CB 3.49Å; D53-L56 PolarHBondContact O-N 3.06Å; C54-L56 VanDerWaalsContact C-N 3.28Å; C54-L56 PolarHBondContact O-N 3.09Å
57H77.3Confident74.9Confident140 Ų140114.7 Ų114.765%0.64852%0.515SS*.G310 helixtrans-85.1-21.3178.1-59.575.3000112D53 C54 R55 Q59D53-H57 PolarHBondContact O-ND1 3.17Å; C54-H57 WeakPolarHBondContact O-CB 3.37Å; C54-H57 PolarHBondContact O-N 3.31Å; R55-H57 PolarHBondContact O-N 3.45Å; H57-Q59 PolarHBondContact O-N 3.26Å
58L74.7Confident73.8Confident72 Ų72116.2 Ų116.238%0.37754%0.538SS..  trans-78.653.9175.3-67.5171.9000112R55 N60 Y64R55-L58 PolarHBondContact O-N 2.62Å; L58-N60 PolarHBondContact O-N 2.89Å; L58-Y64 HydrophobicContact CD2-CD2 4.22Å; L58-Y64 HydrophobicContact CD2-CE2 3.88Å
59Q71.1Confident72.4Confident137 Ų137118.9 Ų118.964%0.6455%0.553SS**  trans-59.3-12.2-174.2-64.2-177.66.100115.5H57H57-Q59 PolarHBondContact O-N 3.26Å
60N65.4Low70.8Confident64 Ų64121.3 Ų121.334%0.34257%0.57SS.*  trans-145.495.2176.6-169.3-12.3000111.2L58 E62 R63L58-N60 PolarHBondContact O-N 2.89Å; N60-E62 PolarHBondContact O-N 3.1Å; N60-E62 WeakPolarHBondContact OD1-CB 3.09Å; N60-E62 WeakPolarHBondContact OD1-CG 3.48Å; N60-E62 PolarHBondContact OD1-N 3.08Å; N60-R63 HydrophobicContact CB-CG 4.46Å; N60-R63 PolarHBondContact O-N 3.32Å
61H67Low69.4Low95 Ų95123.3 Ų123.344%0.4458%0.575SS.*G310 helixtrans-58.6-25.1174.7-62.2-75.6000113.1R63 Y64 K65H61-R63 PolarHBondContact O-N 2.88Å; H61-Y64 CarbonylContact O-C 3.58Å; H61-Y64 PolarHBondContact O-N 2.85Å; H61-K65 PolarHBondContact O-N 3.16Å
62E67.8Low68.3Low144 Ų144125.6 Ų125.667%0.67358%0.584SS**G310 helixtrans-67.3-19.2-179-52.3-179.1144.800113.2N60 Y64N60-E62 PolarHBondContact O-N 3.1Å; N60-E62 WeakPolarHBondContact OD1-CB 3.09Å; N60-E62 WeakPolarHBondContact OD1-CG 3.48Å; N60-E62 PolarHBondContact OD1-N 3.08Å; E62-Y64 PolarHBondContact O-N 2.91Å
63R66.4Low67.4Low198 Ų198119.6 Ų119.675%0.74756%0.564SS**G310 helixtrans-73.6-15.9170.7-68.3-173.5174.8-164.5-2.4113.8N60 H61N60-R63 HydrophobicContact CB-CG 4.46Å; N60-R63 PolarHBondContact O-N 3.32Å; H61-R63 PolarHBondContact O-N 2.88Å
64Y66.8Low66.9Low167 Ų167121.5 Ų121.566%0.65558%0.58SS**THydrogen-bonded Turntrans-127.20.5-173.1-54.6-76.4000112.8L58 H61 E62L58-Y64 HydrophobicContact CD2-CD2 4.22Å; L58-Y64 HydrophobicContact CD2-CE2 3.88Å; H61-Y64 CarbonylContact O-C 3.58Å; H61-Y64 PolarHBondContact O-N 2.85Å; E62-Y64 PolarHBondContact O-N 2.91Å
65K62Low66.8Low148 Ų148122.1 Ų122.164%0.64357%0.573SS**SBendtrans-65.6134.7159-77.4-176.7175.8179.80107.4H61 R67H61-K65 PolarHBondContact O-N 3.16Å; K65-R67 PolarHBondContact O-N 2.98Å
66E58.1Low66.8Low177 Ų177119.1 Ų119.183%0.82757%0.573SS**PPolyproline II helixtrans-58.2137.7171.1-68170.6135.300109.5A68E66-A68 PolarHBondContact O-N 2.88Å
67R58.2Low67Low177 Ų177120 Ų12067%0.66858%0.579SS**PPolyproline II helixtrans-74.1120.2170.8-151.3-176.5-169.41355.7105.9K65 D69 S70K65-R67 PolarHBondContact O-N 2.98Å; R67-D69 WeakPolarHBondContact CD-OD2 3.49Å; R67-D69 HydrophobicContact CG-CB 4.28Å; R67-D69 WeakPolarHBondContact CG-OD2 3.46Å; R67-D69 IonicContact NE-OD2 2.74Å; R67-D69 PolarHBondContact NE-OD2 2.91Å; R67-D69 VanDerWaalsContact NE-OD2 3.11Å; R67-D69 PolarHBondContact O-N 3.02Å; R67-D69 VanDerWaalsContact O-N 3.09Å; R67-S70 VanDerWaalsContact O-CB 3.29Å; R67-S70 WeakPolarHBondContact O-CB 3.47Å; R67-S70 PolarHBondContact O-N 2.9Å
68A60.3Low67.3Low106 Ų106115.5 Ų115.588%0.87656%0.563SS**THydrogen-bonded Turntrans-56.2-29177.500000111.8E66 S70E66-A68 PolarHBondContact O-N 2.88Å; A68-S70 PolarHBondContact O-N 3.08Å
69D57.2Low67.9Low127 Ų127117.6 Ų117.668%0.67957%0.571SS**THydrogen-bonded Turntrans-68.6-9.2174.8-24.1-36.6000114.5R67 K71R67-D69 WeakPolarHBondContact CD-OD2 3.49Å; R67-D69 HydrophobicContact CG-CB 4.28Å; R67-D69 WeakPolarHBondContact CG-OD2 3.46Å; R67-D69 IonicContact NE-OD2 2.74Å; R67-D69 PolarHBondContact NE-OD2 2.91Å; R67-D69 VanDerWaalsContact NE-OD2 3.11Å; R67-D69 PolarHBondContact O-N 3.02Å; R67-D69 VanDerWaalsContact O-N 3.09Å; D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 PolarHBondContact O-N 3.14Å
70S50.9Low68.7Low54 Ų54115.7 Ų115.738%0.37857%0.565SS.*  trans-82.870.8-178.5-76.20000111.9R67 A68 W72R67-S70 VanDerWaalsContact O-CB 3.29Å; R67-S70 WeakPolarHBondContact O-CB 3.47Å; R67-S70 PolarHBondContact O-N 2.9Å; A68-S70 PolarHBondContact O-N 3.08Å; S70-W72 VanDerWaalsContact C-N 3.33Å; S70-W72 PolarHBondContact O-N 3.06Å
71K57.5Low69.6Low123 Ų123116.7 Ų116.754%0.53557%0.567SS.*  trans-64.995.9161.3-161.1-176.1179.8168.50107.8D69 L73 E75D69-K71 VanDerWaalsContact C-N 3.31Å; D69-K71 PolarHBondContact O-N 3.14Å; K71-L73 WeakPolarHBondContact CG-O 3.28Å; K71-L73 PolarHBondContact O-N 2.98Å; K71-E75 IonicContact NZ-OE1 3.85Å; K71-E75 PolarHBondContact NZ-OE1 3.47Å; K71-E75 IonicContact NZ-OE2 3.21Å; K71-E75 PolarHBondContact NZ-OE2 2.8Å
72W61.4Low70.6Confident217 Ų217118.4 Ų118.482%0.82258%0.575SS**  trans-73.8-10-173.4-84.1102.5000114.3S70S70-W72 VanDerWaalsContact C-N 3.33Å; S70-W72 PolarHBondContact O-N 3.06Å
73L62.9Low71.6Confident61 Ų61115.6 Ų115.632%0.31957%0.568SS.*SBendtrans-118.2137.3180-62.3167.8000108.6K71 D77 E81K71-L73 WeakPolarHBondContact CG-O 3.28Å; K71-L73 PolarHBondContact O-N 2.98Å; L73-D77 HydrophobicContact CB-CB 3.91Å; L73-D77 HydrophobicContact CD2-CB 3.82Å; L73-D77 HydrophobicContact CG-CB 4.47Å; L73-E81 HydrophobicContact CD1-CB 4.42Å; L73-E81 WeakPolarHBondContact CD1-OE2 3.37Å
74S76Confident72.6Confident71 Ų71109.8 Ų109.850%0.49755%0.551SS.*  trans-62.3165.2161-167.20000110A76 D77 S78S74-A76 VanDerWaalsContact C-N 3.31Å; S74-A76 PolarHBondContact O-N 3.11Å; S74-D77 WeakPolarHBondContact CB-OD2 3.46Å; S74-D77 PolarHBondContact N-OD2 3.24Å; S74-D77 PolarHBondContact O-N 2.71Å; S74-S78 PolarHBondContact O-N 3.15Å
75E81.8Confident73.5Confident115 Ų115104 Ų10454%0.53753%0.532SS..Hα-helixtrans-48.8-54.5171.2-12760.9-129.500110.7K71 D77 S78 E79K71-E75 IonicContact NZ-OE1 3.85Å; K71-E75 PolarHBondContact NZ-OE1 3.47Å; K71-E75 IonicContact NZ-OE2 3.21Å; K71-E75 PolarHBondContact NZ-OE2 2.8Å; E75-D77 VanDerWaalsContact C-N 3.28Å; E75-D77 PolarHBondContact O-N 2.85Å; E75-S78 CarbonylContact O-C 3.53Å; E75-S78 WeakPolarHBondContact O-CA 3.4Å; E75-S78 VanDerWaalsContact O-CB 3.32Å; E75-S78 WeakPolarHBondContact O-CB 3.47Å; E75-S78 PolarHBondContact O-N 2.77Å; E75-E79 WeakPolarHBondContact O-CG 3.38Å; E75-E79 PolarHBondContact O-N 2.96Å
76A81.3Confident74.6Confident57 Ų57101.7 Ų101.747%0.47153%0.53SS..Hα-helixtrans-64.7-19.4175.700000115.8S74 L80S74-A76 VanDerWaalsContact C-N 3.31Å; S74-A76 PolarHBondContact O-N 3.11Å; A76-L80 WeakPolarHBondContact O-CB 3.38Å; A76-L80 PolarHBondContact O-N 3.26Å
77D82.8Confident75.9Confident70 Ų7099.3 Ų99.337%0.37452%0.519SS..Hα-helixtrans-84.5-28.6172-53.8-47.8000110.4L73 S74 E75 E81L73-D77 HydrophobicContact CB-CB 3.91Å; L73-D77 HydrophobicContact CD2-CB 3.82Å; L73-D77 HydrophobicContact CG-CB 4.47Å; S74-D77 WeakPolarHBondContact CB-OD2 3.46Å; S74-D77 PolarHBondContact N-OD2 3.24Å; S74-D77 PolarHBondContact O-N 2.71Å; E75-D77 VanDerWaalsContact C-N 3.28Å; E75-D77 PolarHBondContact O-N 2.85Å; D77-E81 WeakPolarHBondContact O-CB 3.34Å; D77-E81 PolarHBondContact O-N 2.84Å
78S83.9Confident77.2Confident46 Ų4697.8 Ų97.832%0.32251%0.513SS..Hα-helixtrans-74.1-42.9174.2-163.10000111.6S74 E75 L80 E81 E82S74-S78 PolarHBondContact O-N 3.15Å; E75-S78 CarbonylContact O-C 3.53Å; E75-S78 WeakPolarHBondContact O-CA 3.4Å; E75-S78 VanDerWaalsContact O-CB 3.32Å; E75-S78 WeakPolarHBondContact O-CB 3.47Å; E75-S78 PolarHBondContact O-N 2.77Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 3.2Å; S78-E81 PolarHBondContact O-N 3.18Å; S78-E82 WeakPolarHBondContact O-CB 3.49Å; S78-E82 PolarHBondContact O-N 3.23Å
79E87.1Confident78.3Confident115 Ų11598.4 Ų98.454%0.53749%0.493SS..Hα-helixtrans-58.3-43.4170.2-69.8161-162.700110.7E75 E82 V83E75-E79 WeakPolarHBondContact O-CG 3.38Å; E75-E79 PolarHBondContact O-N 2.96Å; E79-E82 PolarHBondContact O-N 2.86Å; E79-V83 WeakPolarHBondContact O-CG2 3.14Å; E79-V83 PolarHBondContact O-N 3.26Å
80L86.8Confident79.3Confident98 Ų9899.1 Ų99.151%0.51349%0.486SS..Hα-helixtrans-65.7-40.7175.9-179.662.4000112.2A76 S78 E82 V83 L84A76-L80 WeakPolarHBondContact O-CB 3.38Å; A76-L80 PolarHBondContact O-N 3.26Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 3.2Å; L80-E82 VanDerWaalsContact C-N 3.34Å; L80-V83 PolarHBondContact O-N 3.06Å; L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CD1-CG 4.37Å; L80-L84 HydrophobicContact CG-CD1 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.19Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 2.9Å
81E85.7Confident80.5Confident84 Ų84102.1 Ų102.139%0.39350%0.498SS..Hα-helixtrans-70-30.8175.3-174152.2-169.200112.1L73 D77 S78 N85L73-E81 HydrophobicContact CD1-CB 4.42Å; L73-E81 WeakPolarHBondContact CD1-OE2 3.37Å; D77-E81 WeakPolarHBondContact O-CB 3.34Å; D77-E81 PolarHBondContact O-N 2.84Å; S78-E81 PolarHBondContact O-N 3.18Å; E81-N85 VanDerWaalsContact O-CB 3.28Å; E81-N85 WeakPolarHBondContact O-CB 3.25Å; E81-N85 PolarHBondContact O-N 3.4Å; E81-N85 PolarHBondContact O-ND2 3.21Å
82E87.4Confident81.1Confident132 Ų132101.6 Ų101.662%0.61750%0.501SS*.Hα-helixtrans-66.2-46.9171.5-171.8159.7-151.100111.7S78 E79 L80 L84 N85 V86S78-E82 WeakPolarHBondContact O-CB 3.49Å; S78-E82 PolarHBondContact O-N 3.23Å; E79-E82 PolarHBondContact O-N 2.86Å; L80-E82 VanDerWaalsContact C-N 3.34Å; E82-L84 PolarHBondContact O-N 3.07Å; E82-N85 CarbonylContact O-C 3.59Å; E82-N85 WeakPolarHBondContact O-CB 3.44Å; E82-N85 PolarHBondContact O-N 2.86Å; E82-N85 VanDerWaalsContact O-N 3.12Å; E82-V86 WeakPolarHBondContact O-CG2 3.33Å; E82-V86 PolarHBondContact O-N 3.26Å
83V88.3Confident81.2Confident84 Ų8495.6 Ų95.651%0.50949%0.488SS..Hα-helixtrans-60.1-44.8172.5171.90000111.6E79 L80 N85 V86 E87E79-V83 WeakPolarHBondContact O-CG2 3.14Å; E79-V83 PolarHBondContact O-N 3.26Å; L80-V83 PolarHBondContact O-N 3.06Å; V83-N85 VanDerWaalsContact C-N 3.25Å; V83-N85 PolarHBondContact O-N 2.92Å; V83-V86 PolarHBondContact O-N 3.21Å; V83-V86 VanDerWaalsContact O-N 3.17Å; V83-E87 PolarHBondContact O-N 3.4Å
84L87.9Confident80.9Confident77 Ų7796.8 Ų96.840%0.40349%0.492SS..Hα-helixtrans-67.1-24176.1-72.9169.4000113.2L80 E82 R88L80-L84 HydrophobicContact CD1-CD1 4.28Å; L80-L84 HydrophobicContact CD1-CG 4.37Å; L80-L84 HydrophobicContact CG-CD1 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.19Å; L80-L84 WeakPolarHBondContact O-CG 3.47Å; L80-L84 PolarHBondContact O-N 2.9Å; E82-L84 PolarHBondContact O-N 3.07Å; L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 PolarHBondContact O-N 2.74Å; L84-R88 VanDerWaalsContact O-N 3.11Å
85N86.6Confident79.9Confident46 Ų4696.5 Ų96.525%0.24649%0.487CS..Hα-helixtrans-78-40170.8-74.5-36.3000110.6E81 E82 V83 E87 R88 Y89E81-N85 VanDerWaalsContact O-CB 3.28Å; E81-N85 WeakPolarHBondContact O-CB 3.25Å; E81-N85 PolarHBondContact O-N 3.4Å; E81-N85 PolarHBondContact O-ND2 3.21Å; E82-N85 CarbonylContact O-C 3.59Å; E82-N85 WeakPolarHBondContact O-CB 3.44Å; E82-N85 PolarHBondContact O-N 2.86Å; E82-N85 VanDerWaalsContact O-N 3.12Å; V83-N85 VanDerWaalsContact C-N 3.25Å; V83-N85 PolarHBondContact O-N 2.92Å; N85-E87 VanDerWaalsContact C-N 3.35Å; N85-E87 PolarHBondContact O-N 2.8Å; N85-R88 PolarHBondContact O-N 3.2Å; N85-R88 VanDerWaalsContact OD1-CZ 3.22Å; N85-R88 PolarHBondContact OD1-NH1 2.84Å; N85-R88 PolarHBondContact OD1-NH2 2.82Å; N85-Y89 HydrophobicContact CB-CD2 4.19Å; N85-Y89 HydrophobicContact CB-CE2 4.31Å; N85-Y89 WeakPolarHBondContact O-CB 3.49Å; N85-Y89 WeakPolarHBondContact O-CD2 3.13Å; N85-Y89 PolarHBondContact O-N 3.45Å
86V85.3Confident78.6Confident99 Ų9993.6 Ų93.660%0.648%0.479SS*.Hα-helixtrans-60.1-43.1172.2171.70000111.1E82 V83 Y89 R90E82-V86 WeakPolarHBondContact O-CG2 3.33Å; E82-V86 PolarHBondContact O-N 3.26Å; V83-V86 PolarHBondContact O-N 3.21Å; V83-V86 VanDerWaalsContact O-N 3.17Å; V86-Y89 PolarHBondContact O-N 2.85Å; V86-R90 WeakPolarHBondContact O-CB 3.42Å; V86-R90 PolarHBondContact O-N 3.23Å
87E84.9Confident77.2Confident127 Ų12794.1 Ų94.159%0.59348%0.479SS*.Hα-helixtrans-61.8-45171.9-72.4-172.4155.800112V83 N85 Y89 R90V83-E87 PolarHBondContact O-N 3.4Å; N85-E87 VanDerWaalsContact C-N 3.35Å; N85-E87 PolarHBondContact O-N 2.8Å; E87-Y89 VanDerWaalsContact C-N 3.33Å; E87-Y89 PolarHBondContact O-N 3.34Å; E87-R90 WeakPolarHBondContact O-CB 3.18Å; E87-R90 PolarHBondContact O-N 2.87Å
88R85.1Confident75.7Confident145 Ų14597.6 Ų97.655%0.54749%0.493SS..Hα-helixtrans-68.6-27.8-179-170.1-170.7-52.815012.3113.9L84 N85L84-R88 WeakPolarHBondContact O-CB 3.42Å; L84-R88 PolarHBondContact O-N 2.74Å; L84-R88 VanDerWaalsContact O-N 3.11Å; N85-R88 PolarHBondContact O-N 3.2Å; N85-R88 VanDerWaalsContact OD1-CZ 3.22Å; N85-R88 PolarHBondContact OD1-NH1 2.84Å; N85-R88 PolarHBondContact OD1-NH2 2.82Å
89Y84.4Confident74.1Confident119 Ų119100 Ų10047%0.46750%0.5SS..Hα-helixtrans-1034.8179.3-67.6-60.9000113.1N85 V86 E87 D91 L92 V93N85-Y89 HydrophobicContact CB-CD2 4.19Å; N85-Y89 HydrophobicContact CB-CE2 4.31Å; N85-Y89 WeakPolarHBondContact O-CB 3.49Å; N85-Y89 WeakPolarHBondContact O-CD2 3.13Å; N85-Y89 PolarHBondContact O-N 3.45Å; V86-Y89 PolarHBondContact O-N 2.85Å; E87-Y89 VanDerWaalsContact C-N 3.33Å; E87-Y89 PolarHBondContact O-N 3.34Å; Y89-D91 PolarHBondContact O-N 3.09Å; Y89-L92 HydrophobicContact CD1-CB 4.29Å; Y89-L92 HydrophobicContact CD1-CD2 3.72Å; Y89-L92 HydrophobicContact CE1-CD2 4.2Å; Y89-L92 WeakPolarHBondContact O-CA 3.42Å; Y89-L92 WeakPolarHBondContact O-CB 3.29Å; Y89-L92 PolarHBondContact O-N 2.88Å; Y89-V93 PolarHBondContact O-N 2.79Å
90R78.3Confident72.4Confident141 Ų14199.2 Ų99.253%0.53250%0.499SS..Hα-helixtrans-56.6-50.1-179.8-156.1178.5173.9-64-19.4111.2V86 E87 L92 V93 E94V86-R90 WeakPolarHBondContact O-CB 3.42Å; V86-R90 PolarHBondContact O-N 3.23Å; E87-R90 WeakPolarHBondContact O-CB 3.18Å; E87-R90 PolarHBondContact O-N 2.87Å; R90-L92 PolarHBondContact O-N 2.95Å; R90-V93 PolarHBondContact O-N 3.17Å; R90-E94 IonicContact CZ-OE1 2.7Å; R90-E94 VanDerWaalsContact CZ-OE1 3.27Å; R90-E94 IonicContact NH1-OE1 3.15Å; R90-E94 PolarHBondContact NH1-OE1 3.08Å; R90-E94 IonicContact NH1-OE2 2.78Å; R90-E94 IonicContact NH2-OE1 2.69Å; R90-E94 PolarHBondContact NH2-OE1 2.91Å; R90-E94 PolarHBondContact O-N 3.47Å; R90-E94 VanDerWaalsContact O-N 3.11Å
91D74.7Confident70.8Confident117 Ų117103.3 Ų103.363%0.62652%0.516SS*.Hα-helixtrans-58-32173.9-50.98.2000112.5Y89 V95Y89-D91 PolarHBondContact O-N 3.09Å; D91-V95 WeakPolarHBondContact O-CG2 3.45Å; D91-V95 PolarHBondContact O-N 3.13Å
92L70Confident69.2Low112 Ų112103.8 Ų103.859%0.58652%0.521SS*.Hα-helixtrans-78.9-30.8-179-161.674.1000112.2Y89 R90 S96Y89-L92 HydrophobicContact CD1-CB 4.29Å; Y89-L92 HydrophobicContact CD1-CD2 3.72Å; Y89-L92 HydrophobicContact CE1-CD2 4.2Å; Y89-L92 WeakPolarHBondContact O-CA 3.42Å; Y89-L92 WeakPolarHBondContact O-CB 3.29Å; Y89-L92 PolarHBondContact O-N 2.88Å; R90-L92 PolarHBondContact O-N 2.95Å; L92-S96 PolarHBondContact O-N 3.41Å
93V63.3Low67.5Low92 Ų92104.2 Ų104.256%0.55852%0.521SS*.Hα-helixtrans-71.4-44.6172.7176.80000110.2Y89 R90 V95 S96 S97Y89-V93 PolarHBondContact O-N 2.79Å; R90-V93 PolarHBondContact O-N 3.17Å; V93-V95 VanDerWaalsContact C-N 3.35Å; V93-V95 PolarHBondContact O-N 3.04Å; V93-S96 WeakPolarHBondContact O-CA 3.28Å; V93-S96 WeakPolarHBondContact O-CB 3.44Å; V93-S96 PolarHBondContact O-N 3.03Å; V93-S96 PolarHBondContact O-OG 3.48Å; V93-S97 PolarHBondContact O-N 3.38Å; V93-S97 VanDerWaalsContact O-N 3.11Å; V93-S97 PolarHBondContact O-OG 3.42Å
94E57.3Low65.7Low86 Ų86103.7 Ų103.740%0.40253%0.532SS..Hα-helixtrans-58.9-44.4-179.8-72.8177.7173.700111.4R90 S96 S97 E98R90-E94 IonicContact CZ-OE1 2.7Å; R90-E94 VanDerWaalsContact CZ-OE1 3.27Å; R90-E94 IonicContact NH1-OE1 3.15Å; R90-E94 PolarHBondContact NH1-OE1 3.08Å; R90-E94 IonicContact NH1-OE2 2.78Å; R90-E94 IonicContact NH2-OE1 2.69Å; R90-E94 PolarHBondContact NH2-OE1 2.91Å; R90-E94 PolarHBondContact O-N 3.47Å; R90-E94 VanDerWaalsContact O-N 3.11Å; E94-S96 VanDerWaalsContact C-N 3.33Å; E94-S96 PolarHBondContact O-N 3.34Å; E94-S97 WeakPolarHBondContact CA-OG 3.08Å; E94-S97 PolarHBondContact O-N 2.97Å; E94-S97 VanDerWaalsContact O-N 3.15Å; E94-S97 PolarHBondContact O-OG 3.04Å; E94-E98 PolarHBondContact O-N 3.49Å
95V54.5Low63.9Low65 Ų65109.2 Ų109.239%0.39455%0.548SS..Hα-helixtrans-55.1-44.5170.6169.20000112.2D91 V93 S97 E98 E99D91-V95 WeakPolarHBondContact O-CG2 3.45Å; D91-V95 PolarHBondContact O-N 3.13Å; V93-V95 VanDerWaalsContact C-N 3.35Å; V93-V95 PolarHBondContact O-N 3.04Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 3.37Å; V95-E98 PolarHBondContact O-N 3.15Å; V95-E99 HydrophobicContact CG1-CG 4.16Å; V95-E99 WeakPolarHBondContact CG1-OE1 3.31Å; V95-E99 WeakPolarHBondContact O-CB 3.49Å; V95-E99 VanDerWaalsContact O-CG 3.3Å; V95-E99 WeakPolarHBondContact O-CG 3.48Å; V95-E99 PolarHBondContact O-N 3.46Å
96S54.5Low62Low54 Ų54117 Ų11738%0.37858%0.579SS.*Hα-helixtrans-67.8-24.4-179.177.20000113.9L92 V93 E94 N100L92-S96 PolarHBondContact O-N 3.41Å; V93-S96 WeakPolarHBondContact O-CA 3.28Å; V93-S96 WeakPolarHBondContact O-CB 3.44Å; V93-S96 PolarHBondContact O-N 3.03Å; V93-S96 PolarHBondContact O-OG 3.48Å; E94-S96 VanDerWaalsContact C-N 3.33Å; E94-S96 PolarHBondContact O-N 3.34Å; S96-N100 PolarHBondContact O-ND2 3.14Å
97S52.1Low60.2Low67 Ų67123.4 Ų123.447%0.46959%0.593SS.*Hα-helixtrans-77.1-45.917030.10000112.3V93 E94 V95 E99 N100V93-S97 PolarHBondContact O-N 3.38Å; V93-S97 VanDerWaalsContact O-N 3.11Å; V93-S97 PolarHBondContact O-OG 3.42Å; E94-S97 WeakPolarHBondContact CA-OG 3.08Å; E94-S97 PolarHBondContact O-N 2.97Å; E94-S97 VanDerWaalsContact O-N 3.15Å; E94-S97 PolarHBondContact O-OG 3.04Å; V95-S97 VanDerWaalsContact C-N 3.27Å; V95-S97 PolarHBondContact O-N 3.37Å; S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 2.58Å; S97-N100 WeakPolarHBondContact O-CB 3.31Å; S97-N100 PolarHBondContact O-N 2.91Å
98E51.7Low58.4Low143 Ų143121.8 Ų121.867%0.66860%0.601SS**Hα-helixtrans-63.1-39.2178.3-67.3-175.9160.500111.9E94 V95 N100 E101 D102E94-E98 PolarHBondContact O-N 3.49Å; V95-E98 PolarHBondContact O-N 3.15Å; E98-N100 PolarHBondContact O-N 2.95Å; E98-N100 VanDerWaalsContact O-N 3.08Å; E98-E101 PolarHBondContact O-N 2.92Å; E98-D102 PolarHBondContact O-N 2.66Å
99E50.9Low56.9Low97 Ų97121.3 Ų121.345%0.45361%0.605SS.*Hα-helixtrans-57.7-20.9173.4-80.5177.1173.800113.3V95 S97 K103V95-E99 HydrophobicContact CG1-CG 4.16Å; V95-E99 WeakPolarHBondContact CG1-OE1 3.31Å; V95-E99 WeakPolarHBondContact O-CB 3.49Å; V95-E99 VanDerWaalsContact O-CG 3.3Å; V95-E99 WeakPolarHBondContact O-CG 3.48Å; V95-E99 PolarHBondContact O-N 3.46Å; S97-E99 VanDerWaalsContact C-N 3.32Å; S97-E99 PolarHBondContact O-N 2.58Å; E99-K103 WeakPolarHBondContact O-CE 3.41Å; E99-K103 WeakPolarHBondContact O-CG 3.36Å
100N51.3Low55.8Low98 Ų98122 Ų12252%0.52462%0.615SS.*Hα-helixtrans-82.5-30.1178.9-86-69.8000114.4S96 S97 E98 K103S96-N100 PolarHBondContact O-ND2 3.14Å; S97-N100 WeakPolarHBondContact O-CB 3.31Å; S97-N100 PolarHBondContact O-N 2.91Å; E98-N100 PolarHBondContact O-N 2.95Å; E98-N100 VanDerWaalsContact O-N 3.08Å; N100-K103 PolarHBondContact OD1-NZ 3.22Å
101E52.9Low54.6Low185 Ų185124.2 Ų124.286%0.86463%0.629SS**Hα-helixtrans-87-34.3-178.3-60.5-155.8150.800112.7E98 K103E98-E101 PolarHBondContact O-N 2.92Å; E101-K103 PolarHBondContact O-N 3.05Å
102D52.5Low53.6Low94 Ų94127.1 Ų127.150%0.50363%0.633SS.*G310 helixtrans-83.411.6-176.8-135.3-6.8000114.1E98 G104 R105E98-D102 PolarHBondContact O-N 2.66Å; D102-G104 PolarHBondContact O-N 2.94Å; D102-R105 PolarHBondContact O-N 3.42Å; D102-R105 WeakPolarHBondContact OD1-CD 3.39Å; D102-R105 WeakPolarHBondContact OD1-CG 3.1Å; D102-R105 IonicContact OD1-NE 2.79Å; D102-R105 IonicContact OD1-NH1 2.74Å
103K51.7Low53.1Low141 Ų141126.7 Ų126.761%0.61363%0.631SS**G310 helixtrans-60.4-8.4-178.8-68.4-174.3164.7162.20115E99 N100 E101 R105E99-K103 WeakPolarHBondContact O-CE 3.41Å; E99-K103 WeakPolarHBondContact O-CG 3.36Å; N100-K103 PolarHBondContact OD1-NZ 3.22Å; E101-K103 PolarHBondContact O-N 3.05Å; K103-R105 VanDerWaalsContact C-N 3.29Å
104G49.1Very low53Low73 Ų73132.4 Ų132.475%0.75364%0.644SS**G310 helixtrans-72.4-13.4167.100000115D102D102-G104 PolarHBondContact O-N 2.94Å
105R50.3Low52.8Low192 Ų192134.9 Ų134.973%0.72566%0.66SS**SBendtrans-11746.3-163.8-65.8-165.3176.2161.9-6.5116.7D102 K103 R107D102-R105 PolarHBondContact O-N 3.42Å; D102-R105 WeakPolarHBondContact OD1-CD 3.39Å; D102-R105 WeakPolarHBondContact OD1-CG 3.1Å; D102-R105 IonicContact OD1-NE 2.79Å; D102-R105 IonicContact OD1-NH1 2.74Å; K103-R105 VanDerWaalsContact C-N 3.29Å; R105-R107 PolarHBondContact O-N 3.41Å
106K46.8Very low52.3Low209 Ų209138 Ų13891%0.90968%0.679SS**  trans49.358.1152.3-58-179.9179.4176.40116.2
107R47Very low51.9Low234 Ų234140.9 Ų140.988%0.88370%0.7SS**  trans-112.4147.1161-144.6172.6-174.5-179.1-0.2109.3R105R105-R107 PolarHBondContact O-N 3.41Å
108A48.6Very low51.4Low94 Ų94142.9 Ų142.978%0.77771%0.714SS**  trans-11390.2-171.300000110.7
109E54.1Low51Low135 Ų135141.5 Ų141.563%0.63172%0.72SS**  trans-71.2143.9166.2-79109-116.500111.5
110I60.5Low50.5Low132 Ų132141.4 Ų141.468%0.67774%0.735SS**  trans-106.2100.3177.8-57.2176.6000108.1Y112I110-Y112 HydrophobicContact CB-CE2 4.32Å; I110-Y112 HydrophobicContact CG2-CD2 4.11Å; I110-Y112 HydrophobicContact CG2-CE2 3.58Å; I110-Y112 WeakPolarHBondContact O-CD2 3.42Å
111F53.3Low49.7Very low188 Ų188144.3 Ų144.383%0.82575%0.751SS**  trans-68.4138.9174.6-174.3-95.1000111.3D113F111-D113 HydrophobicContact CE1-CB 4.25Å
112Y53.2Low49.1Very low179 Ų179140.7 Ų140.770%0.70274%0.743SS**  trans-126.9118.8176.9-82.1-91.8000110.8I110I110-Y112 HydrophobicContact CB-CE2 4.32Å; I110-Y112 HydrophobicContact CG2-CD2 4.11Å; I110-Y112 HydrophobicContact CG2-CE2 3.58Å; I110-Y112 WeakPolarHBondContact O-CD2 3.42Å
113D58.9Low48.2Very low103 Ų103141.3 Ų141.355%0.55175%0.751SS**  trans-95.3137.1170-172.2-16.5000110.2F111 N115F111-D113 HydrophobicContact CE1-CB 4.25Å; D113-N115 PolarHBondContact OD1-N 3.32Å; D113-N115 VanDerWaalsContact OD1-N 3.16Å; D113-N115 PolarHBondContact OD1-ND2 3.04Å
114Y61.3Low47.6Very low212 Ų212141.8 Ų141.883%0.83177%0.765SS**SBendtrans-92.4-1.8-171.6-87.7-92000114.9
115N54Low47.1Very low138 Ų138145.4 Ų145.474%0.73876%0.762SS**  trans-82.2-11.6-171.3-72.3-73.1000116D113 S117D113-N115 PolarHBondContact OD1-N 3.32Å; D113-N115 VanDerWaalsContact OD1-N 3.16Å; D113-N115 PolarHBondContact OD1-ND2 3.04Å; N115-S117 PolarHBondContact O-N 3.46Å
116T44.5Very low46.3Very low129 Ų129145 Ų14579%0.79177%0.769SS**  trans-83.876.2-172.3-51.90000113.3S118T116-S118 PolarHBondContact O-N 2.67Å
117S45.3Very low45.9Very low115 Ų115139.9 Ų139.980%0.80477%0.766SS**  trans-86.8103.6171.8-78.30000113.3N115N115-S117 PolarHBondContact O-N 3.46Å
118S41Very low45.3Very low110 Ų110133 Ų13377%0.76976%0.759SS**SBendtrans89.4139.5160.6-1490000119.5T116T116-S118 PolarHBondContact O-N 2.67Å
119S43.1Very low44.5Very low114 Ų114134.3 Ų134.380%0.79776%0.757SS**  trans77.1152.6172.277.30000118.2
120A40.9Very low43.6Very low94 Ų94131.9 Ų131.978%0.77776%0.755SS**  trans69.9126.4-172.400000117.1
121D34.1Very low43Very low159 Ų159133.8 Ų133.885%0.8576%0.76SS**  trans-59.8145.6148.1-62.2-82.7000108.5
122P40.5Very low42.6Very low109 Ų109132.3 Ų132.371%0.70876%0.761SS**  -140.3138.7107.635.3-23.1000114.9V124P122-V124 PolarHBondContact O-N 2.78Å
123T33.5Very low42.8Very low107 Ų107129.8 Ų129.866%0.65676%0.76SS**  19.394.4126.7-23.40000117Q125T123-Q125 VanDerWaalsContact C-N 3.3Å; T123-Q125 HydrophobicContact CG2-CG 3.48Å; T123-Q125 VanDerWaalsContact CG2-CG 3.48Å; T123-Q125 PolarHBondContact O-N 3.23Å
124V39.3Very low43Very low151 Ų151128.6 Ų128.692%0.91577%0.765SS**  trans-69.495.1152.8177.60000107P122P122-V124 PolarHBondContact O-N 2.78Å
125Q39.2Very low43.3Very low149 Ų149119.8 Ų119.870%0.69673%0.731SS**  trans-76.8125.9175.7-71.2-176.7-30.400110.5T123 A127T123-Q125 VanDerWaalsContact C-N 3.3Å; T123-Q125 HydrophobicContact CG2-CG 3.48Å; T123-Q125 VanDerWaalsContact CG2-CG 3.48Å; T123-Q125 PolarHBondContact O-N 3.23Å; Q125-A127 PolarHBondContact O-N 3.08Å
126E32.7Very low44Very low183 Ų183119.3 Ų119.386%0.85573%0.732SS**  trans26.678.3140.5-61.9176.6109.700118.1
127A38Very low45.1Very low103 Ų103115.4 Ų115.485%0.85171%0.708SS**  trans-80107.6138.500000107.7Q125Q125-A127 PolarHBondContact O-N 3.08Å
128A36.2Very low46Very low88 Ų88112.1 Ų112.173%0.72768%0.684SS**  trans-55.6153.7-175.300000112.6
129T31.6Very low46.9Very low122 Ų122112.6 Ų112.675%0.74869%0.688SS**  cis-157.3-177.348.348.10000114
130C34.6Very low48Very low85 Ų85112.6 Ų112.657%0.57468%0.675SS**  trans70.772.5167.7-64.20000117.8K154C130-K154 PolarHBondContact O-NZ 3.05Å
131E47.7Very low49.3Very low171 Ų171108.1 Ų108.180%0.79964%0.638SS**  51.4100.9111.2-64.6173.3-144.200119D133E131-D133 VanDerWaalsContact C-N 3.29Å; E131-D133 PolarHBondContact O-N 3.43Å
132D45.2Very low51Low157 Ų157108.7 Ų108.784%0.8463%0.633SS**  3528.9117.3-65.8-32.3000123.3A134D132-A134 VanDerWaalsContact C-N 3.32Å; D132-A134 PolarHBondContact O-N 2.99Å
133D57.2Low52.5Low126 Ų126105.2 Ų105.267%0.67461%0.609SS**  trans-66.488160.7-99.4-15.4000111.7E131 F135 S153E131-D133 VanDerWaalsContact C-N 3.29Å; E131-D133 PolarHBondContact O-N 3.43Å; D133-F135 PolarHBondContact O-N 2.88Å; D133-S153 PolarHBondContact O-N 2.88Å; D133-S153 VanDerWaalsContact O-N 3.16Å
134A63.8Low54.3Low79 Ų79103.2 Ų103.265%0.65360%0.598SS**BIsolated β-bridgetrans-61.6124.4171.700000110.5D132 V136D132-A134 VanDerWaalsContact C-N 3.32Å; D132-A134 PolarHBondContact O-N 2.99Å; A134-V136 PolarHBondContact O-N 3.22Å; A134-V136 VanDerWaalsContact O-N 3.08Å
135F67.3Low55.2Low27 Ų27106.5 Ų106.512%0.11860%0.6CS.*  trans-74.1105.9-165.2175.3-119.2000113.9D133 V137 P138 V149 P150 K151 H156D133-F135 PolarHBondContact O-N 2.88Å; F135-V137 HydrophobicContact CE1-CG2 4.17Å; F135-P138 HydrophobicContact CE2-CG 4.39Å; F135-P138 HydrophobicContact CZ-CG 4.37Å; F135-V149 HydrophobicContact CD1-CG1 3.6Å; F135-V149 HydrophobicContact CE1-CG1 3.94Å; F135-P150 HydrophobicContact CD1-CB 4.07Å; F135-P150 HydrophobicContact CD1-CG 4.25Å; F135-P150 HydrophobicContact CE1-CG 4.26Å; F135-K151 PolarHBondContact N-O 3.48Å; F135-H156 HydrophobicContact CD1-CB 4.09Å; F135-H156 HydrophobicContact CD2-CB 3.83Å; F135-H156 HydrophobicContact CE1-CB 3.87Å; F135-H156 AromaticContact CE1-CG 3.81Å; F135-H156 AromaticContact CE1-ND1 3.9Å; F135-H156 HydrophobicContact CE2-CB 3.6Å; F135-H156 AromaticContact CE2-CD2 3.23Å; F135-H156 WeakPolarHBondContact CE2-CD2 3.41Å; F135-H156 AromaticContact CE2-CG 3.33Å; F135-H156 AromaticContact CE2-NE2 3.86Å; F135-H156 HydrophobicContact CG-CB 4.07Å; F135-H156 HydrophobicContact CZ-CB 3.62Å; F135-H156 AromaticContact CZ-CD2 3.41Å; F135-H156 VanDerWaalsContact CZ-CD2 3.41Å; F135-H156 WeakPolarHBondContact CZ-CD2 3.38Å; F135-H156 AromaticContact CZ-CE1 3.7Å; F135-H156 AromaticContact CZ-CG 3.16Å; F135-H156 AromaticContact CZ-ND1 3.37Å; F135-H156 WeakPolarHBondContact CZ-ND1 3.35Å; F135-H156 AromaticContact CZ-NE2 3.72Å
136V68.2Low56.8Low128 Ų128103.2 Ų103.278%0.77661%0.606SS**PPolyproline II helixtrans-78.1121.9167.6-177.50000109.7A134 P138A134-V136 PolarHBondContact O-N 3.22Å; A134-V136 VanDerWaalsContact O-N 3.08Å; V136-P138 WeakPolarHBondContact O-CD 3.1Å
137V67.3Low59Low47 Ų4795.8 Ų95.829%0.28557%0.573SS.*PPolyproline II helixtrans-65.2123.9-177.7-179.20000111.3F135 S139 L141 V143 V149F135-V137 HydrophobicContact CE1-CG2 4.17Å; V137-S139 PolarHBondContact O-N 2.69Å; V137-L141 HydrophobicContact CG1-CB 4.44Å; V137-V143 HydrophobicContact CG1-CG2 3.79Å; V137-V149 HydrophobicContact CG2-CB 4.3Å; V137-V149 HydrophobicContact CG2-CG1 3.48Å; V137-V149 VanDerWaalsContact CG2-CG1 3.48Å; V137-V149 HydrophobicContact CG2-CG2 3.73Å
138P65.7Low61.1Low46 Ų4694 Ų9430%0.29955%0.552SS.*PPolyproline II helixtrans-56.2124.6170.7-27.335.1000112F135 V136 E140 L141F135-P138 HydrophobicContact CE2-CG 4.39Å; F135-P138 HydrophobicContact CZ-CG 4.37Å; V136-P138 WeakPolarHBondContact O-CD 3.1Å; P138-E140 PolarHBondContact O-N 2.87Å; P138-L141 HydrophobicContact CB-CD1 4.47Å; P138-L141 HydrophobicContact CG-CD1 4.46Å; P138-L141 PolarHBondContact O-N 3.08Å
139S58.9Low63.3Low120 Ų12092.2 Ų92.284%0.83953%0.532SS*.G310 helixtrans-54.6-24.5-172.2-51.70000114.8V137 L141V137-S139 PolarHBondContact O-N 2.69Å; S139-L141 VanDerWaalsContact C-N 3.34Å; S139-L141 PolarHBondContact O-N 3.04Å
140E66.9Low65.9Low113 Ų11386.6 Ų86.653%0.52850%0.497SS..G310 helixtrans-68.7-28179.9-58.1-173.917500113.6P138 K142 Y212P138-E140 PolarHBondContact O-N 2.87Å; E140-K142 PolarHBondContact O-N 3.25Å; E140-Y212 HydrophobicContact CB-CD2 4.29Å
141L67.4Low68.1Low0 Ų090.7 Ų90.70%051%0.505CS..G310 helixtrans-69.8-15.3-171.6-82.6168.9000114.4V137 P138 S139 V143 Y199 H202 V203 Y212V137-L141 HydrophobicContact CG1-CB 4.44Å; P138-L141 HydrophobicContact CB-CD1 4.47Å; P138-L141 HydrophobicContact CG-CD1 4.46Å; P138-L141 PolarHBondContact O-N 3.08Å; S139-L141 VanDerWaalsContact C-N 3.34Å; S139-L141 PolarHBondContact O-N 3.04Å; L141-V143 HydrophobicContact CB-CG2 3.86Å; L141-V143 PolarHBondContact O-N 3.18Å; L141-V143 VanDerWaalsContact O-N 3.1Å; L141-Y199 WeakPolarHBondContact CD1-OH 3.44Å; L141-H202 PolarHBondContact O-NE2 2.89Å; L141-H202 VanDerWaalsContact O-NE2 3.08Å; L141-V203 HydrophobicContact CD2-CG2 4.05Å; L141-Y212 HydrophobicContact CD1-CE2 4.1Å; L141-Y212 HydrophobicContact CD2-CD1 3.66Å; L141-Y212 HydrophobicContact CD2-CD2 3.61Å; L141-Y212 HydrophobicContact CD2-CE1 3.89Å; L141-Y212 HydrophobicContact CD2-CE2 3.81Å; L141-Y212 HydrophobicContact CD2-CG 3.51Å; L141-Y212 HydrophobicContact CG-CD2 3.75Å; L141-Y212 HydrophobicContact CG-CE1 4.49Å; L141-Y212 HydrophobicContact CG-CE2 3.64Å; L141-Y212 HydrophobicContact CG-CG 4.19Å
142K69.5Low69.9Low171 Ų17186.3 Ų86.374%0.74349%0.488SS*.  trans47.340.4175.5-66.9-173.9179.1-1750114.4E140 P144 M206E140-K142 PolarHBondContact O-N 3.25Å; K142-P144 WeakPolarHBondContact O-CD 3.47Å; K142-M206 HydrophobicContact CB-CE 4.49Å
143V72.4Confident71.8Confident36 Ų3680.5 Ų80.522%0.21846%0.459CS..  trans-57.6122.8-173.4-175.60000111.6V137 L141 K145 V147 Y199 H202V137-V143 HydrophobicContact CG1-CG2 3.79Å; L141-V143 HydrophobicContact CB-CG2 3.86Å; L141-V143 PolarHBondContact O-N 3.18Å; L141-V143 VanDerWaalsContact O-N 3.1Å; V143-K145 PolarHBondContact O-N 2.87Å; V143-V147 HydrophobicContact CG1-CB 3.73Å; V143-V147 HydrophobicContact CG1-CG1 4.12Å; V143-V147 HydrophobicContact CG1-CG2 4.3Å; V143-Y199 HydrophobicContact CG2-CE2 4.16Å; V143-H202 WeakPolarHBondContact CA-NE2 3.1Å
144P71.2Confident73.2Confident65 Ų6581.2 Ų81.242%0.42246%0.456SS..  trans-58.6134.5175.2-26.634.4000112.2K142 G146 V147 H202K142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-G146 PolarHBondContact O-N 3.2Å; P144-G146 VanDerWaalsContact O-N 3.1Å; P144-V147 HydrophobicContact CB-CG2 4.23Å; P144-V147 WeakPolarHBondContact O-CG2 3.41Å; P144-V147 PolarHBondContact O-N 2.95Å; P144-V147 VanDerWaalsContact O-N 3.13Å; P144-H202 VanDerWaalsContact CD-NE2 3.28Å; P144-H202 WeakPolarHBondContact CD-NE2 3.21Å
145K57.8Low74.5Confident221 Ų22179.6 Ų79.696%0.96144%0.435SS*.THydrogen-bonded Turntrans-59.4114.9177.3-62.2-177.2179.9-176.50109.4V143V143-K145 PolarHBondContact O-N 2.87Å
146G72.8Confident75.6Confident80 Ų8078.8 Ų78.883%0.82543%0.432SS*.THydrogen-bonded Turntrans120.5-11.1-175.200000114.9P144P144-G146 PolarHBondContact O-N 3.2Å; P144-G146 VanDerWaalsContact O-N 3.1Å
147V79.4Confident76.7Confident26 Ų2676.7 Ų76.716%0.15841%0.412CS..PPolyproline II helixtrans-79.6129.9170.9-179.80000110V143 P144 V149 V198 Y199V143-V147 HydrophobicContact CG1-CB 3.73Å; V143-V147 HydrophobicContact CG1-CG1 4.12Å; V143-V147 HydrophobicContact CG1-CG2 4.3Å; P144-V147 HydrophobicContact CB-CG2 4.23Å; P144-V147 WeakPolarHBondContact O-CG2 3.41Å; P144-V147 PolarHBondContact O-N 2.95Å; P144-V147 VanDerWaalsContact O-N 3.13Å; V147-V149 PolarHBondContact O-N 2.94Å; V147-V198 HydrophobicContact CB-CG1 4.5Å; V147-V198 HydrophobicContact CG1-CB 4.28Å; V147-V198 HydrophobicContact CG1-CG1 4.09Å; V147-V198 HydrophobicContact CG2-CG1 3.87Å; V147-Y199 HydrophobicContact CG1-CD2 4.21Å; V147-Y199 HydrophobicContact CG1-CG 4.5Å
148V81.3Confident77.9Confident66 Ų6676.7 Ų76.740%0.441%0.41SS..PPolyproline II helixtrans-70.7127.9176-177.80000110.1Q195 L196 Y199V148-Q195 HydrophobicContact CB-CB 4.24Å; V148-Q195 HydrophobicContact CG1-CB 4.38Å; V148-Q195 HydrophobicContact CG2-CB 4.18Å; V148-L196 HydrophobicContact CB-CD2 4.37Å; V148-L196 HydrophobicContact CG1-CD2 3.97Å; V148-L196 WeakPolarHBondContact O-CD2 3.47Å; V148-Y199 WeakPolarHBondContact O-CB 3.45Å
149V84.1Confident79.2Confident51 Ų5174.5 Ų74.531%0.30940%0.396SS..PPolyproline II helixtrans-87.8144.5-178.5172.60000110F135 V137 V147F135-V149 HydrophobicContact CD1-CG1 3.6Å; F135-V149 HydrophobicContact CE1-CG1 3.94Å; V137-V149 HydrophobicContact CG2-CB 4.3Å; V137-V149 HydrophobicContact CG2-CG1 3.48Å; V137-V149 VanDerWaalsContact CG2-CG1 3.48Å; V137-V149 HydrophobicContact CG2-CG2 3.73Å; V147-V149 PolarHBondContact O-N 2.94Å
150P85.6Confident80.9Confident3 Ų369.3 Ų69.32%0.01936%0.358CS..PPolyproline II helixtrans-55.2144.1172.6-25.334.6000112.1F135 Q155 H156 I159 L196 Y199F135-P150 HydrophobicContact CD1-CB 4.07Å; F135-P150 HydrophobicContact CD1-CG 4.25Å; F135-P150 HydrophobicContact CE1-CG 4.26Å; P150-Q155 HydrophobicContact CB-CB 4.24Å; P150-Q155 HydrophobicContact CB-CG 4.2Å; P150-H156 HydrophobicContact CB-CB 4.36Å; P150-H156 HydrophobicContact CG-CB 4.35Å; P150-I159 HydrophobicContact CB-CD1 4.48Å; P150-I159 HydrophobicContact CG-CD1 3.85Å; P150-L196 HydrophobicContact CB-CD1 4.36Å; P150-L196 HydrophobicContact CG-CD2 4.41Å; P150-Y199 HydrophobicContact CG-CD1 3.63Å; P150-Y199 HydrophobicContact CG-CE1 3.41Å; P150-Y199 VanDerWaalsContact CG-CE1 3.41Å; P150-Y199 HydrophobicContact CG-CG 4.31Å
151K80.8Confident82.1Confident171 Ų17170.3 Ų70.374%0.74336%0.361SS*.SBendtrans-74.8-46.2-176.7-68.3-174.5178-174.20112.4F135 Q155F135-K151 PolarHBondContact N-O 3.48Å; K151-Q155 VanDerWaalsContact N-OE1 3.14Å
152N85.3Confident83.4Confident80 Ų8070.9 Ų70.943%0.42836%0.364SS..BIsolated β-bridgetrans-114144.3-170.8-52.862.1000110.4K154 Q155 H156N152-K154 PolarHBondContact O-N 3.3Å; N152-Q155 WeakPolarHBondContact O-CB 3.34Å; N152-Q155 PolarHBondContact O-N 2.86Å; N152-H156 PolarHBondContact O-N 2.98Å
153S84.9Confident84.6Confident35 Ų3562.7 Ų62.725%0.24533%0.329CS..Hα-helixtrans-51.7-41.5175.3179.60000112.9D133 Q155 H156 K157D133-S153 PolarHBondContact O-N 2.88Å; D133-S153 VanDerWaalsContact O-N 3.16Å; S153-Q155 VanDerWaalsContact C-N 3.28Å; S153-Q155 PolarHBondContact O-N 3.44Å; S153-H156 PolarHBondContact O-N 2.8Å; S153-H156 VanDerWaalsContact O-N 3.15Å; S153-K157 PolarHBondContact O-N 3.04Å
154K87.2Confident85.6Confident140 Ų14062.3 Ų62.361%0.60933%0.327SS*.Hα-helixtrans-53.7-40.1174-63.4174.3-174.9166.60112.5C130 N152 I158C130-K154 PolarHBondContact O-NZ 3.05Å; N152-K154 PolarHBondContact O-N 3.3Å; K154-I158 WeakPolarHBondContact O-CG1 3.47Å; K154-I158 PolarHBondContact O-N 3.22Å
155Q90.3Very high86.8Confident45 Ų4563.4 Ų63.421%0.2133%0.326CS..Hα-helixtrans-72.4-36.7-179.9-170.6176.252.300112.3P150 K151 N152 S153 I159 L196P150-Q155 HydrophobicContact CB-CB 4.24Å; P150-Q155 HydrophobicContact CB-CG 4.2Å; K151-Q155 VanDerWaalsContact N-OE1 3.14Å; N152-Q155 WeakPolarHBondContact O-CB 3.34Å; N152-Q155 PolarHBondContact O-N 2.86Å; S153-Q155 VanDerWaalsContact C-N 3.28Å; S153-Q155 PolarHBondContact O-N 3.44Å; Q155-I159 HydrophobicContact CG-CD1 4.25Å; Q155-I159 WeakPolarHBondContact O-CG1 3.33Å; Q155-I159 PolarHBondContact O-N 3.45Å; Q155-I159 VanDerWaalsContact O-N 3.16Å; Q155-L196 HydrophobicContact CG-CD1 4.11Å; Q155-L196 VanDerWaalsContact OE1-CD1 3.32Å
156H90.8Very high88.5Confident10 Ų1052.9 Ų52.95%0.04628%0.28CS..Hα-helixtrans-63.3-48.6171.817263.7000111.6F135 P150 N152 S153 I158 I159 E160 Y199F135-H156 HydrophobicContact CD1-CB 4.09Å; F135-H156 HydrophobicContact CD2-CB 3.83Å; F135-H156 HydrophobicContact CE1-CB 3.87Å; F135-H156 AromaticContact CE1-CG 3.81Å; F135-H156 AromaticContact CE1-ND1 3.9Å; F135-H156 HydrophobicContact CE2-CB 3.6Å; F135-H156 AromaticContact CE2-CD2 3.23Å; F135-H156 WeakPolarHBondContact CE2-CD2 3.41Å; F135-H156 AromaticContact CE2-CG 3.33Å; F135-H156 AromaticContact CE2-NE2 3.86Å; F135-H156 HydrophobicContact CG-CB 4.07Å; F135-H156 HydrophobicContact CZ-CB 3.62Å; F135-H156 AromaticContact CZ-CD2 3.41Å; F135-H156 VanDerWaalsContact CZ-CD2 3.41Å; F135-H156 WeakPolarHBondContact CZ-CD2 3.38Å; F135-H156 AromaticContact CZ-CE1 3.7Å; F135-H156 AromaticContact CZ-CG 3.16Å; F135-H156 AromaticContact CZ-ND1 3.37Å; F135-H156 WeakPolarHBondContact CZ-ND1 3.35Å; F135-H156 AromaticContact CZ-NE2 3.72Å; P150-H156 HydrophobicContact CB-CB 4.36Å; P150-H156 HydrophobicContact CG-CB 4.35Å; N152-H156 PolarHBondContact O-N 2.98Å; S153-H156 PolarHBondContact O-N 2.8Å; S153-H156 VanDerWaalsContact O-N 3.15Å; H156-I158 PolarHBondContact O-N 3.43Å; H156-I159 PolarHBondContact O-N 3.26Å; H156-E160 WeakPolarHBondContact O-CB 3.41Å; H156-E160 PolarHBondContact O-N 3.13Å; H156-Y199 PolarHBondContact CE1-OH 3.37Å; H156-Y199 VanDerWaalsContact CE1-OH 3.24Å; H156-Y199 AromaticContact ND1-CE1 3.92Å; H156-Y199 AromaticContact ND1-CZ 3.86Å; H156-Y199 PolarHBondContact ND1-OH 3.39Å
157K91.8Very high89.5Confident85 Ų8550.5 Ų50.537%0.3725%0.252SS..Hα-helixtrans-57.1-35.4179.1-70-164176.7-158.50112.6S153 K161 E217S153-K157 PolarHBondContact O-N 3.04Å; K157-K161 WeakPolarHBondContact O-CB 3.44Å; K157-K161 WeakPolarHBondContact O-CG 3.26Å; K157-K161 PolarHBondContact O-N 3Å; K157-E217 IonicContact NZ-OE1 3.01Å; K157-E217 PolarHBondContact NZ-OE1 3.45Å
158I92.4Very high90.2Very high47 Ų4754 Ų5424%0.24127%0.274CS..Hα-helixtrans-69.8-45.8175-63.9167.3000111.3K154 H156 E160 T162 F186 F187 F189K154-I158 WeakPolarHBondContact O-CG1 3.47Å; K154-I158 PolarHBondContact O-N 3.22Å; H156-I158 PolarHBondContact O-N 3.43Å; I158-E160 VanDerWaalsContact C-N 3.34Å; I158-E160 PolarHBondContact O-N 3.5Å; I158-T162 VanDerWaalsContact O-CB 3.25Å; I158-T162 WeakPolarHBondContact O-CB 3.23Å; I158-T162 PolarHBondContact O-N 3.24Å; I158-T162 PolarHBondContact O-OG1 2.95Å; I158-F186 HydrophobicContact CD1-CB 4Å; I158-F186 HydrophobicContact CD1-CD1 3.8Å; I158-F186 HydrophobicContact CD1-CG 4.02Å; I158-F187 HydrophobicContact CG2-CE1 4.45Å; I158-F187 HydrophobicContact CG2-CZ 4.37Å; I158-F189 HydrophobicContact CG2-CE1 3.96Å; I158-F189 HydrophobicContact CG2-CZ 4.31Å
159I93.5Very high90.8Very high0 Ų056.2 Ų56.20%028%0.28CS..Hα-helixtrans-60.8-43.3176.9-71.9165.9000111P150 Q155 H156 A163 F189 L196 Y199 Y200P150-I159 HydrophobicContact CB-CD1 4.48Å; P150-I159 HydrophobicContact CG-CD1 3.85Å; Q155-I159 HydrophobicContact CG-CD1 4.25Å; Q155-I159 WeakPolarHBondContact O-CG1 3.33Å; Q155-I159 PolarHBondContact O-N 3.45Å; Q155-I159 VanDerWaalsContact O-N 3.16Å; H156-I159 PolarHBondContact O-N 3.26Å; I159-A163 WeakPolarHBondContact O-CB 3.2Å; I159-A163 PolarHBondContact O-N 3.36Å; I159-F189 HydrophobicContact CD1-CB 4.4Å; I159-F189 HydrophobicContact CD1-CD1 4.12Å; I159-F189 HydrophobicContact CD1-CG 4.21Å; I159-F189 HydrophobicContact CG1-CB 4.4Å; I159-F189 HydrophobicContact CG1-CD1 3.48Å; I159-F189 VanDerWaalsContact CG1-CD1 3.48Å; I159-F189 HydrophobicContact CG1-CD2 4.01Å; I159-F189 HydrophobicContact CG1-CE1 3.61Å; I159-F189 HydrophobicContact CG1-CE2 4.12Å; I159-F189 HydrophobicContact CG1-CG 3.7Å; I159-F189 HydrophobicContact CG1-CZ 3.94Å; I159-L196 HydrophobicContact CD1-CB 4.39Å; I159-L196 HydrophobicContact CD1-CD1 4.12Å; I159-Y199 HydrophobicContact CD1-CD1 4.17Å; I159-Y199 HydrophobicContact CD1-CE1 4.47Å; I159-Y199 HydrophobicContact CG2-CD1 4Å; I159-Y199 HydrophobicContact CG2-CE1 3.99Å; I159-Y200 HydrophobicContact CG2-CD2 4.25Å
160E92.9Very high91.1Very high11 Ų1155 Ų555%0.05128%0.278CS..Hα-helixtrans-63-53.1178.3177.9-179.8-134.900112.1H156 I158 T162 A163 S164 Y212 P214 S215H156-E160 WeakPolarHBondContact O-CB 3.41Å; H156-E160 PolarHBondContact O-N 3.13Å; I158-E160 VanDerWaalsContact C-N 3.34Å; I158-E160 PolarHBondContact O-N 3.5Å; E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 3.22Å; E160-A163 PolarHBondContact O-N 2.98Å; E160-S164 WeakPolarHBondContact O-CB 3.42Å; E160-S164 PolarHBondContact O-N 3.05Å; E160-Y212 HydrophobicContact CG-CE1 4.31Å; E160-Y212 PolarHBondContact OE1-OH 2.92Å; E160-P214 HydrophobicContact CG-CB 3.74Å; E160-P214 VanDerWaalsContact OE1-CA 3.28Å; E160-P214 WeakPolarHBondContact OE1-CA 3.43Å; E160-S215 PolarHBondContact OE1-N 3.5Å
161K93.6Very high91.3Very high134 Ų13458.6 Ų58.658%0.58330%0.303SS*.Hα-helixtrans-58.3-43.7177.2-74.4-179.9177.7-1740111.4K157 S164 F165K157-K161 WeakPolarHBondContact O-CB 3.44Å; K157-K161 WeakPolarHBondContact O-CG 3.26Å; K157-K161 PolarHBondContact O-N 3Å; K161-S164 PolarHBondContact O-N 3.34Å; K161-F165 WeakPolarHBondContact O-CB 3.42Å; K161-F165 PolarHBondContact O-N 3.18Å
162T94.6Very high91.8Very high11 Ų1157.6 Ų57.67%0.06730%0.301CS..Hα-helixtrans-65.6-42.6178.7-54.70000111.8I158 E160 F165 I166 V177 F187 F189 L190I158-T162 VanDerWaalsContact O-CB 3.25Å; I158-T162 WeakPolarHBondContact O-CB 3.23Å; I158-T162 PolarHBondContact O-N 3.24Å; I158-T162 PolarHBondContact O-OG1 2.95Å; E160-T162 VanDerWaalsContact C-N 3.3Å; E160-T162 PolarHBondContact O-N 3.22Å; T162-F165 PolarHBondContact O-N 3.27Å; T162-I166 HydrophobicContact CG2-CD1 3.72Å; T162-I166 WeakPolarHBondContact O-CB 3.42Å; T162-I166 WeakPolarHBondContact O-CG1 3.46Å; T162-I166 PolarHBondContact O-N 2.95Å; T162-V177 HydrophobicContact CG2-CG1 4.48Å; T162-F187 HydrophobicContact CG2-CE1 4.26Å; T162-F189 HydrophobicContact CG2-CE2 3.93Å; T162-F189 HydrophobicContact CG2-CZ 3.91Å; T162-L190 HydrophobicContact CG2-CD2 4.38Å
163A94.5Very high92.2Very high0 Ų055.8 Ų55.80%029%0.291CS..Hα-helixtrans-66.6-37.617600000112.4I159 E160 A167 Y200 V203 L204 I207I159-A163 WeakPolarHBondContact O-CB 3.2Å; I159-A163 PolarHBondContact O-N 3.36Å; E160-A163 PolarHBondContact O-N 2.98Å; A163-A167 VanDerWaalsContact O-CB 3.27Å; A163-A167 WeakPolarHBondContact O-CB 3.27Å; A163-A167 PolarHBondContact O-N 3.24Å; A163-Y200 HydrophobicContact CB-CD2 4.17Å; A163-Y200 HydrophobicContact CB-CE2 4.1Å; A163-V203 HydrophobicContact CB-CB 4.42Å; A163-V203 HydrophobicContact CB-CG1 3.85Å; A163-L204 HydrophobicContact CB-CB 4.17Å; A163-L204 HydrophobicContact CB-CD1 4.4Å; A163-L204 WeakPolarHBondContact O-CD1 3.33Å; A163-I207 HydrophobicContact CB-CD1 3.91Å
164S93.7Very high92.7Very high27 Ų2755.6 Ų55.619%0.18929%0.286CS..Hα-helixtrans-63.3-47.2173.8-170.80000111.4E160 K161 I166 A167 T168E160-S164 WeakPolarHBondContact O-CB 3.42Å; E160-S164 PolarHBondContact O-N 3.05Å; K161-S164 PolarHBondContact O-N 3.34Å; S164-I166 PolarHBondContact O-N 2.72Å; S164-A167 WeakPolarHBondContact O-CB 3.42Å; S164-A167 PolarHBondContact O-N 3.11Å; S164-A167 VanDerWaalsContact O-N 3.15Å; S164-T168 PolarHBondContact O-N 3.32Å; S164-T168 PolarHBondContact O-OG1 3.15Å
165F94.7Very high92.9Very high88 Ų8854 Ų5439%0.38628%0.283SS..Hα-helixtrans-62.9-40.3177.9-175.2-111.3000112.8K161 T162 A167 T168 H169 M173 V177K161-F165 WeakPolarHBondContact O-CB 3.42Å; K161-F165 PolarHBondContact O-N 3.18Å; T162-F165 PolarHBondContact O-N 3.27Å; F165-A167 VanDerWaalsContact C-N 3.31Å; F165-A167 PolarHBondContact O-N 3.04Å; F165-T168 PolarHBondContact O-N 2.99Å; F165-T168 PolarHBondContact O-OG1 2.69Å; F165-H169 AromaticContact CD2-CD2 3.35Å; F165-H169 WeakPolarHBondContact CD2-CD2 3.44Å; F165-H169 AromaticContact CD2-NE2 3.64Å; F165-H169 AromaticContact CE2-CD2 3.31Å; F165-H169 WeakPolarHBondContact CE2-CD2 3.21Å; F165-H169 AromaticContact CE2-NE2 3.41Å; F165-H169 WeakPolarHBondContact CE2-NE2 3.15Å; F165-H169 AromaticContact CG-CD2 3.96Å; F165-H169 AromaticContact CZ-CD2 3.9Å; F165-H169 PolarHBondContact O-CD2 3.36Å; F165-H169 VanDerWaalsContact O-CD2 3.24Å; F165-H169 PolarHBondContact O-N 3.37Å; F165-M173 HydrophobicContact CD1-CG 3.73Å; F165-M173 HydrophobicContact CD1-SD 4.48Å; F165-M173 HydrophobicContact CE1-CE 4.06Å; F165-M173 HydrophobicContact CE1-CG 3.32Å; F165-M173 HydrophobicContact CE1-SD 3.51Å; F165-M173 VanDerWaalsContact CE1-SD 3.51Å; F165-M173 HydrophobicContact CZ-CE 3.87Å; F165-M173 HydrophobicContact CZ-CG 4.08Å; F165-M173 HydrophobicContact CZ-SD 3.9Å; F165-V177 HydrophobicContact CD1-CG2 4.34Å; F165-V177 HydrophobicContact CE1-CG2 4.08Å
166I95Very high93Very high0 Ų055.4 Ų55.40%029%0.291CS..Hα-helixtrans-76.6-19.4176.1-66.9168000111.9T162 S164 G170 M173 E174 L190 Y200 L204T162-I166 HydrophobicContact CG2-CD1 3.72Å; T162-I166 WeakPolarHBondContact O-CB 3.42Å; T162-I166 WeakPolarHBondContact O-CG1 3.46Å; T162-I166 PolarHBondContact O-N 2.95Å; S164-I166 PolarHBondContact O-N 2.72Å; I166-G170 WeakPolarHBondContact O-CA 3.33Å; I166-G170 PolarHBondContact O-N 3.4Å; I166-M173 HydrophobicContact CG1-CG 4.47Å; I166-E174 HydrophobicContact CD1-CB 4.03Å; I166-E174 HydrophobicContact CD1-CG 4.27Å; I166-E174 HydrophobicContact CG1-CB 4.41Å; I166-E174 HydrophobicContact CG2-CB 3.8Å; I166-L190 HydrophobicContact CD1-CD2 4.4Å; I166-Y200 HydrophobicContact CD1-CE2 4.41Å; I166-Y200 VanDerWaalsContact CD1-OH 3.23Å; I166-Y200 WeakPolarHBondContact CD1-OH 3.39Å; I166-L204 HydrophobicContact CB-CD1 4.05Å; I166-L204 HydrophobicContact CG2-CD1 3.85Å; I166-L204 HydrophobicContact CG2-CD2 4.07Å
167A93.6Very high93.2Very high30 Ų3055.9 Ų55.925%0.24830%0.295CS..Hα-helixtrans-74.6-35.5168.900000112.6A163 S164 F165 L204 I207 K208A163-A167 VanDerWaalsContact O-CB 3.27Å; A163-A167 WeakPolarHBondContact O-CB 3.27Å; A163-A167 PolarHBondContact O-N 3.24Å; S164-A167 WeakPolarHBondContact O-CB 3.42Å; S164-A167 PolarHBondContact O-N 3.11Å; S164-A167 VanDerWaalsContact O-N 3.15Å; F165-A167 VanDerWaalsContact C-N 3.31Å; F165-A167 PolarHBondContact O-N 3.04Å; A167-L204 HydrophobicContact CB-CD1 4.19Å; A167-I207 HydrophobicContact CB-CB 4.31Å; A167-I207 HydrophobicContact CB-CG2 3.57Å; A167-K208 HydrophobicContact CB-CG 3.99Å
168T93.9Very high93.2Very high101 Ų10153.9 Ų53.962%0.6229%0.288SS*.Hα-helixtrans-80.1-42.9176.854.30000113.3S164 F165S164-T168 PolarHBondContact O-N 3.32Å; S164-T168 PolarHBondContact O-OG1 3.15Å; F165-T168 PolarHBondContact O-N 2.99Å; F165-T168 PolarHBondContact O-OG1 2.69Å
169H92.8Very high93.3Very high111 Ų11157.5 Ų57.551%0.51431%0.307SS..Hα-helixtrans-95.3-4.6-175.1-61.5-74000114.8F165 M173F165-H169 AromaticContact CD2-CD2 3.35Å; F165-H169 WeakPolarHBondContact CD2-CD2 3.44Å; F165-H169 AromaticContact CD2-NE2 3.64Å; F165-H169 AromaticContact CE2-CD2 3.31Å; F165-H169 WeakPolarHBondContact CE2-CD2 3.21Å; F165-H169 AromaticContact CE2-NE2 3.41Å; F165-H169 WeakPolarHBondContact CE2-NE2 3.15Å; F165-H169 AromaticContact CG-CD2 3.96Å; F165-H169 AromaticContact CZ-CD2 3.9Å; F165-H169 PolarHBondContact O-CD2 3.36Å; F165-H169 VanDerWaalsContact O-CD2 3.24Å; F165-H169 PolarHBondContact O-N 3.37Å; H169-M173 HydrophobicContact CB-CB 3.72Å; H169-M173 HydrophobicContact CB-CE 3.78Å; H169-M173 HydrophobicContact CB-CG 3.92Å
170G90.7Very high93.3Very high27 Ų2765.5 Ų65.528%0.27834%0.341SS..  trans81.9-178.9174.900000115.2I166 Q172 M173I166-G170 WeakPolarHBondContact O-CA 3.33Å; I166-G170 PolarHBondContact O-N 3.4Å; G170-Q172 VanDerWaalsContact C-N 3.32Å; G170-Q172 PolarHBondContact O-N 3.3Å; G170-M173 WeakPolarHBondContact O-CB 3.3Å; G170-M173 PolarHBondContact O-N 2.68Å; G170-M173 VanDerWaalsContact O-N 3.13Å
171S90.6Very high93.3Very high77 Ų7768.3 Ų68.354%0.53835%0.354SS..Hα-helixtrans-69.5-21.1-171.9460000114.8M173 E174 I175S171-M173 VanDerWaalsContact C-N 3.26Å; S171-M173 PolarHBondContact O-N 3.22Å; S171-E174 WeakPolarHBondContact O-CB 3.46Å; S171-E174 PolarHBondContact O-N 2.93Å; S171-I175 PolarHBondContact O-N 2.97Å
172Q91.5Very high93.2Very high151 Ų15169.3 Ų69.371%0.70636%0.359SS*.Hα-helixtrans-63.5-35.8170.8-70.3-178.5-10.400111.2G170 E174 I175 I176G170-Q172 VanDerWaalsContact C-N 3.32Å; G170-Q172 PolarHBondContact O-N 3.3Å; Q172-E174 VanDerWaalsContact C-N 3.3Å; Q172-E174 PolarHBondContact O-N 3.35Å; Q172-I175 PolarHBondContact O-N 3.09Å; Q172-I176 WeakPolarHBondContact O-CG1 3.31Å; Q172-I176 PolarHBondContact O-N 2.93Å
173M94.2Very high92.9Very high41 Ų4172.6 Ų72.620%0.20240%0.395CS..Hα-helixtrans-67.1-31.6176.7-166.560.277.300112.2F165 I166 H169 G170 S171 I175 I176 V177F165-M173 HydrophobicContact CD1-CG 3.73Å; F165-M173 HydrophobicContact CD1-SD 4.48Å; F165-M173 HydrophobicContact CE1-CE 4.06Å; F165-M173 HydrophobicContact CE1-CG 3.32Å; F165-M173 HydrophobicContact CE1-SD 3.51Å; F165-M173 VanDerWaalsContact CE1-SD 3.51Å; F165-M173 HydrophobicContact CZ-CE 3.87Å; F165-M173 HydrophobicContact CZ-CG 4.08Å; F165-M173 HydrophobicContact CZ-SD 3.9Å; I166-M173 HydrophobicContact CG1-CG 4.47Å; H169-M173 HydrophobicContact CB-CB 3.72Å; H169-M173 HydrophobicContact CB-CE 3.78Å; H169-M173 HydrophobicContact CB-CG 3.92Å; G170-M173 WeakPolarHBondContact O-CB 3.3Å; G170-M173 PolarHBondContact O-N 2.68Å; G170-M173 VanDerWaalsContact O-N 3.13Å; S171-M173 VanDerWaalsContact C-N 3.26Å; S171-M173 PolarHBondContact O-N 3.22Å; M173-I175 VanDerWaalsContact C-N 3.32Å; M173-I175 PolarHBondContact O-N 3.04Å; M173-I176 PolarHBondContact O-N 3.01Å; M173-I176 HydrophobicContact SD-CB 4.29Å; M173-I176 HydrophobicContact SD-CD1 4.49Å; M173-I176 HydrophobicContact SD-CG2 4.32Å; M173-V177 HydrophobicContact CG-CG2 4.13Å; M173-V177 WeakPolarHBondContact O-CB 3.47Å; M173-V177 VanDerWaalsContact O-CG2 3.29Å; M173-V177 WeakPolarHBondContact O-CG2 3.28Å; M173-V177 PolarHBondContact O-N 3.04Å; M173-V177 HydrophobicContact SD-CG2 4.28Å
174E93.9Very high92.8Very high31 Ų3174.7 Ų74.715%0.14541%0.407CS..Hα-helixtrans-59.8-42.8172.7-176.2164.1-136.900112I166 S171 Q172 N178 Y200 K201I166-E174 HydrophobicContact CD1-CB 4.03Å; I166-E174 HydrophobicContact CD1-CG 4.27Å; I166-E174 HydrophobicContact CG1-CB 4.41Å; I166-E174 HydrophobicContact CG2-CB 3.8Å; S171-E174 WeakPolarHBondContact O-CB 3.46Å; S171-E174 PolarHBondContact O-N 2.93Å; Q172-E174 VanDerWaalsContact C-N 3.3Å; Q172-E174 PolarHBondContact O-N 3.35Å; E174-N178 VanDerWaalsContact O-CB 3.26Å; E174-N178 WeakPolarHBondContact O-CB 3.25Å; E174-N178 PolarHBondContact O-N 2.67Å; E174-Y200 VanDerWaalsContact CD-OH 3.3Å; E174-Y200 WeakPolarHBondContact OE1-CE1 3.37Å; E174-Y200 VanDerWaalsContact OE1-CZ 3.27Å; E174-Y200 PolarHBondContact OE1-OH 2.95Å; E174-K201 WeakPolarHBondContact OE1-CE 3.44Å; E174-K201 IonicContact OE1-NZ 3.82Å; E174-K201 PolarHBondContact OE1-NZ 2.83Å; E174-K201 IonicContact OE2-NZ 3.9Å; E174-K201 PolarHBondContact OE2-NZ 3.42Å
175I91.7Very high92.6Very high106 Ų10677.6 Ų77.654%0.54443%0.425SS..Hα-helixtrans-66.5-45.2176.8-59.1169.8000110.2S171 Q172 M173 N178 I179S171-I175 PolarHBondContact O-N 2.97Å; Q172-I175 PolarHBondContact O-N 3.09Å; M173-I175 VanDerWaalsContact C-N 3.32Å; M173-I175 PolarHBondContact O-N 3.04Å; I175-N178 PolarHBondContact O-N 3.2Å; I175-I179 HydrophobicContact CG2-CD1 3.74Å; I175-I179 HydrophobicContact CG2-CG1 4.46Å; I175-I179 WeakPolarHBondContact O-CB 3.47Å; I175-I179 VanDerWaalsContact O-CG1 3.3Å; I175-I179 WeakPolarHBondContact O-CG1 3.45Å; I175-I179 PolarHBondContact O-N 3.11Å
176I93.2Very high92.4Very high75 Ų7579 Ų7939%0.38543%0.431SS..Hα-helixtrans-63.4-46.2-179.6-66.5164.1000111.6Q172 M173 I179 K180Q172-I176 WeakPolarHBondContact O-CG1 3.31Å; Q172-I176 PolarHBondContact O-N 2.93Å; M173-I176 PolarHBondContact O-N 3.01Å; M173-I176 HydrophobicContact SD-CB 4.29Å; M173-I176 HydrophobicContact SD-CD1 4.49Å; M173-I176 HydrophobicContact SD-CG2 4.32Å; I176-I179 PolarHBondContact O-N 3.18Å; I176-K180 HydrophobicContact CG2-CD 4.11Å; I176-K180 HydrophobicContact CG2-CG 4.48Å; I176-K180 WeakPolarHBondContact O-CB 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.38Å; I176-K180 PolarHBondContact O-N 2.98Å
177V93.5Very high92.3Very high20 Ų2081 Ų8112%0.12144%0.44CS..Hα-helixtrans-65.5-43.1178.31780000110.4T162 F165 M173 I179 K180 Q181 F187 L190T162-V177 HydrophobicContact CG2-CG1 4.48Å; F165-V177 HydrophobicContact CD1-CG2 4.34Å; F165-V177 HydrophobicContact CE1-CG2 4.08Å; M173-V177 HydrophobicContact CG-CG2 4.13Å; M173-V177 WeakPolarHBondContact O-CB 3.47Å; M173-V177 VanDerWaalsContact O-CG2 3.29Å; M173-V177 WeakPolarHBondContact O-CG2 3.28Å; M173-V177 PolarHBondContact O-N 3.04Å; M173-V177 HydrophobicContact SD-CG2 4.28Å; V177-I179 PolarHBondContact O-N 3.38Å; V177-K180 PolarHBondContact O-N 2.94Å; V177-Q181 HydrophobicContact CG1-CG 4.31Å; V177-Q181 WeakPolarHBondContact O-CB 3.37Å; V177-Q181 PolarHBondContact O-N 3.25Å; V177-F187 HydrophobicContact CG1-CD1 3.99Å; V177-F187 HydrophobicContact CG1-CE1 3.96Å; V177-L190 HydrophobicContact CB-CD1 4.26Å; V177-L190 HydrophobicContact CG1-CD1 3.68Å
178N93Very high92.2Very high43 Ų4386.1 Ų86.123%0.2345%0.452CS..Hα-helixtrans-62-43.8178-16715.3000112E174 I175 K182 L190E174-N178 VanDerWaalsContact O-CB 3.26Å; E174-N178 WeakPolarHBondContact O-CB 3.25Å; E174-N178 PolarHBondContact O-N 2.67Å; I175-N178 PolarHBondContact O-N 3.2Å; N178-K182 WeakPolarHBondContact O-CB 3.48Å; N178-K182 PolarHBondContact O-N 2.96Å; N178-K182 VanDerWaalsContact O-N 3.13Å; N178-L190 HydrophobicContact CB-CB 4.22Å; N178-L190 HydrophobicContact CB-CD1 4.13Å
179I93.8Very high92.2Very high124 Ų12481.3 Ų81.364%0.63642%0.423SS*.Hα-helixtrans-63.2-47.9175.5-69.3169.8000111.1I175 I176 V177I175-I179 HydrophobicContact CG2-CD1 3.74Å; I175-I179 HydrophobicContact CG2-CG1 4.46Å; I175-I179 WeakPolarHBondContact O-CB 3.47Å; I175-I179 VanDerWaalsContact O-CG1 3.3Å; I175-I179 WeakPolarHBondContact O-CG1 3.45Å; I175-I179 PolarHBondContact O-N 3.11Å; I176-I179 PolarHBondContact O-N 3.18Å; V177-I179 PolarHBondContact O-N 3.38Å
180K94.3Very high92.2Very high167 Ų16776.2 Ų76.273%0.72640%0.4SS*.Hα-helixtrans-69.3-31.9-177.1-74.9-172.2174.5-167.70114I176 V177I176-K180 HydrophobicContact CG2-CD 4.11Å; I176-K180 HydrophobicContact CG2-CG 4.48Å; I176-K180 WeakPolarHBondContact O-CB 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.38Å; I176-K180 PolarHBondContact O-N 2.98Å; V177-K180 PolarHBondContact O-N 2.94Å
181Q93.1Very high92.3Very high70 Ų7077.2 Ų77.233%0.32740%0.398SS..Hα-helixtrans-108.314.2-174.2-64.6-66.6-29.300113.5V177 G183 N184 F187V177-Q181 HydrophobicContact CG1-CG 4.31Å; V177-Q181 WeakPolarHBondContact O-CB 3.37Å; V177-Q181 PolarHBondContact O-N 3.25Å; Q181-G183 PolarHBondContact O-N 3.42Å; Q181-G183 VanDerWaalsContact O-N 3.09Å; Q181-N184 HydrophobicContact CB-CB 4.34Å; Q181-N184 WeakPolarHBondContact O-CB 3.49Å; Q181-N184 PolarHBondContact O-N 2.94Å; Q181-N184 PolarHBondContact OE1-ND2 3.29Å; Q181-F187 HydrophobicContact CB-CB 3.75Å; Q181-F187 HydrophobicContact CB-CD1 4.2Å; Q181-F187 HydrophobicContact CB-CD2 3.75Å; Q181-F187 HydrophobicContact CB-CE2 4.4Å; Q181-F187 HydrophobicContact CB-CG 3.62Å; Q181-F187 HydrophobicContact CG-CD1 4.31Å; Q181-F187 HydrophobicContact CG-CD2 3.83Å; Q181-F187 HydrophobicContact CG-CE1 4.43Å; Q181-F187 HydrophobicContact CG-CE2 3.96Å; Q181-F187 HydrophobicContact CG-CG 4Å; Q181-F187 HydrophobicContact CG-CZ 4.26Å
182K90.4Very high92.3Very high155 Ų15582.6 Ų82.667%0.67441%0.408SS*.THydrogen-bonded Turntrans-56.4-29.5-175.8-163.9176.1-179.6-176.70114.7N178N178-K182 WeakPolarHBondContact O-CB 3.48Å; N178-K182 PolarHBondContact O-N 2.96Å; N178-K182 VanDerWaalsContact O-N 3.13Å
183G89.1Confident92.2Very high81 Ų8180.8 Ų80.884%0.83541%0.412SS*.THydrogen-bonded Turntrans-82.2-11.7175.700000114.8Q181Q181-G183 PolarHBondContact O-N 3.42Å; Q181-G183 VanDerWaalsContact O-N 3.09Å
184N92Very high92.1Very high44 Ų4481.4 Ų81.424%0.23542%0.415CS..  trans-90.2120-168.7-173.3-26.7000111.5Q181 F186 F187Q181-N184 HydrophobicContact CB-CB 4.34Å; Q181-N184 WeakPolarHBondContact O-CB 3.49Å; Q181-N184 PolarHBondContact O-N 2.94Å; Q181-N184 PolarHBondContact OE1-ND2 3.29Å; N184-F186 PolarHBondContact O-N 3.02Å; N184-F186 VanDerWaalsContact O-N 3.14Å; N184-F186 WeakPolarHBondContact OD1-CB 3.41Å; N184-F186 WeakPolarHBondContact OD1-CD2 3.3Å; N184-F186 PolarHBondContact OD1-N 3.22Å; N184-F187 HydrophobicContact CB-CD2 4.03Å; N184-F187 PolarHBondContact O-N 3.35Å; N184-F187 VanDerWaalsContact O-N 3.08Å
185P90.3Very high91.9Very high88 Ų8886.6 Ų86.657%0.57144%0.439SS*.G310 helixtrans-60.7-27-177.324.8-34.5000113.7R188P185-R188 WeakPolarHBondContact O-CG 3.29Å
186F89.1Confident91.9Very high117 Ų11782 Ų8251%0.51342%0.415SS..G310 helixtrans-70.6-28.6178-65.3-70.9000113.3I158 N184 F189I158-F186 HydrophobicContact CD1-CB 4Å; I158-F186 HydrophobicContact CD1-CD1 3.8Å; I158-F186 HydrophobicContact CD1-CG 4.02Å; N184-F186 PolarHBondContact O-N 3.02Å; N184-F186 VanDerWaalsContact O-N 3.14Å; N184-F186 WeakPolarHBondContact OD1-CB 3.41Å; N184-F186 WeakPolarHBondContact OD1-CD2 3.3Å; N184-F186 PolarHBondContact OD1-N 3.22Å; F186-F189 WeakPolarHBondContact O-CD1 3.31Å; F186-F189 WeakPolarHBondContact O-CE1 3.35Å
187F93.7Very high92Very high43 Ų4379.2 Ų79.219%0.18940%0.401CS..G310 helixtrans-92.81.1-176.4-75.9-87.3000114.5I158 T162 V177 Q181 N184 F189 L190I158-F187 HydrophobicContact CG2-CE1 4.45Å; I158-F187 HydrophobicContact CG2-CZ 4.37Å; T162-F187 HydrophobicContact CG2-CE1 4.26Å; V177-F187 HydrophobicContact CG1-CD1 3.99Å; V177-F187 HydrophobicContact CG1-CE1 3.96Å; Q181-F187 HydrophobicContact CB-CB 3.75Å; Q181-F187 HydrophobicContact CB-CD1 4.2Å; Q181-F187 HydrophobicContact CB-CD2 3.75Å; Q181-F187 HydrophobicContact CB-CE2 4.4Å; Q181-F187 HydrophobicContact CB-CG 3.62Å; Q181-F187 HydrophobicContact CG-CD1 4.31Å; Q181-F187 HydrophobicContact CG-CD2 3.83Å; Q181-F187 HydrophobicContact CG-CE1 4.43Å; Q181-F187 HydrophobicContact CG-CE2 3.96Å; Q181-F187 HydrophobicContact CG-CG 4Å; Q181-F187 HydrophobicContact CG-CZ 4.26Å; N184-F187 HydrophobicContact CB-CD2 4.03Å; N184-F187 PolarHBondContact O-N 3.35Å; N184-F187 VanDerWaalsContact O-N 3.08Å; F187-F189 HydrophobicContact CD1-CE1 4.38Å; F187-F189 HydrophobicContact CD1-CZ 4.09Å; F187-F189 PolarHBondContact O-N 2.81Å; F187-L190 HydrophobicContact CB-CD1 4.45Å; F187-L190 HydrophobicContact CD1-CD1 4.1Å; F187-L190 WeakPolarHBondContact O-CB 3.3Å; F187-L190 WeakPolarHBondContact O-CG 3.36Å; F187-L190 PolarHBondContact O-N 3.04Å
188R91.8Very high91.9Very high136 Ų13682.3 Ų82.351%0.51342%0.42SS..G310 helixtrans-55.2-17.7-179.3-65.5178.774.9100.74.2114.9P185 L190 D191 H194P185-R188 WeakPolarHBondContact O-CG 3.29Å; R188-L190 PolarHBondContact O-N 3.49Å; R188-D191 WeakPolarHBondContact O-CB 2.98Å; R188-D191 PolarHBondContact O-N 3.32Å; R188-D191 VanDerWaalsContact O-N 3.15Å; R188-H194 WeakPolarHBondContact O-CB 3.5Å; R188-H194 VanDerWaalsContact O-CG 3.31Å
189F94.1Very high91.9Very high1 Ų180.3 Ų80.30%0.00441%0.409CS..G310 helixtrans-65.1-13.3171.464.6-97.8000114.1I158 I159 T162 F186 F187 L196 H197 Y200I158-F189 HydrophobicContact CG2-CE1 3.96Å; I158-F189 HydrophobicContact CG2-CZ 4.31Å; I159-F189 HydrophobicContact CD1-CB 4.4Å; I159-F189 HydrophobicContact CD1-CD1 4.12Å; I159-F189 HydrophobicContact CD1-CG 4.21Å; I159-F189 HydrophobicContact CG1-CB 4.4Å; I159-F189 HydrophobicContact CG1-CD1 3.48Å; I159-F189 VanDerWaalsContact CG1-CD1 3.48Å; I159-F189 HydrophobicContact CG1-CD2 4.01Å; I159-F189 HydrophobicContact CG1-CE1 3.61Å; I159-F189 HydrophobicContact CG1-CE2 4.12Å; I159-F189 HydrophobicContact CG1-CG 3.7Å; I159-F189 HydrophobicContact CG1-CZ 3.94Å; T162-F189 HydrophobicContact CG2-CE2 3.93Å; T162-F189 HydrophobicContact CG2-CZ 3.91Å; F186-F189 WeakPolarHBondContact O-CD1 3.31Å; F186-F189 WeakPolarHBondContact O-CE1 3.35Å; F187-F189 HydrophobicContact CD1-CE1 4.38Å; F187-F189 HydrophobicContact CD1-CZ 4.09Å; F187-F189 PolarHBondContact O-N 2.81Å; F189-L196 HydrophobicContact CB-CB 3.99Å; F189-H197 VanDerWaalsContact O-CA 3.29Å; F189-H197 WeakPolarHBondContact O-CA 3.4Å; F189-H197 WeakPolarHBondContact O-CB 3.44Å; F189-H197 PolarHBondContact O-ND1 3.09Å; F189-Y200 AromaticContact CD2-CD1 3.98Å; F189-Y200 HydrophobicContact CD2-CD1 3.98Å; F189-Y200 AromaticContact CD2-CD2 3.81Å; F189-Y200 HydrophobicContact CD2-CD2 3.81Å; F189-Y200 AromaticContact CD2-CG 3.52Å; F189-Y200 HydrophobicContact CD2-CG 3.52Å; F189-Y200 AromaticContact CE2-CD2 3.71Å; F189-Y200 HydrophobicContact CE2-CD2 3.71Å; F189-Y200 HydrophobicContact CE2-CE2 4.14Å; F189-Y200 AromaticContact CE2-CG 3.94Å; F189-Y200 HydrophobicContact CE2-CG 3.94Å
190L93.3Very high91.9Very high4 Ų474.4 Ų74.42%0.02138%0.378CS..G310 helixtrans-76.2-23.4172.2-62.9179000112.7T162 I166 V177 N178 F187 R188 H197 Y200T162-L190 HydrophobicContact CG2-CD2 4.38Å; I166-L190 HydrophobicContact CD1-CD2 4.4Å; V177-L190 HydrophobicContact CB-CD1 4.26Å; V177-L190 HydrophobicContact CG1-CD1 3.68Å; N178-L190 HydrophobicContact CB-CB 4.22Å; N178-L190 HydrophobicContact CB-CD1 4.13Å; F187-L190 HydrophobicContact CB-CD1 4.45Å; F187-L190 HydrophobicContact CD1-CD1 4.1Å; F187-L190 WeakPolarHBondContact O-CB 3.3Å; F187-L190 WeakPolarHBondContact O-CG 3.36Å; F187-L190 PolarHBondContact O-N 3.04Å; R188-L190 PolarHBondContact O-N 3.49Å; L190-H197 PolarHBondContact O-CE1 3.3Å; L190-H197 PolarHBondContact O-ND1 3.44Å; L190-Y200 HydrophobicContact CD2-CD1 4.22Å; L190-Y200 HydrophobicContact CD2-CE1 3.61Å; L190-Y200 HydrophobicContact CD2-CE2 4.13Å
191D91.3Very high91.9Very high47 Ų4769.6 Ų69.625%0.25136%0.357SS..SBendtrans-70.7132.6174-74.4-46.8000111.6R188 S193 H194 H197R188-D191 WeakPolarHBondContact O-CB 2.98Å; R188-D191 PolarHBondContact O-N 3.32Å; R188-D191 VanDerWaalsContact O-N 3.15Å; D191-S193 PolarHBondContact O-N 2.86Å; D191-S193 VanDerWaalsContact O-N 3.11Å; D191-H194 HydrophobicContact CB-CB 4.43Å; D191-H194 WeakPolarHBondContact O-CB 3.36Å; D191-H194 PolarHBondContact O-N 3.06Å; D191-H197 WeakPolarHBondContact O-CB 3.41Å; D191-H197 PolarHBondContact O-ND1 2.92Å
192Y90.6Very high91.8Very high191 Ų19166.8 Ų66.875%0.74934%0.344SS*.THydrogen-bonded Turntrans-59.8-22.6178.4-62.5-77.7000114.3H197Y192-H197 AromaticContact CD1-CE1 3.74Å; Y192-H197 AromaticContact CD1-NE2 3.44Å; Y192-H197 WeakPolarHBondContact CD1-NE2 3.49Å; Y192-H197 AromaticContact CE1-NE2 3.82Å
193S90.7Very high91.9Very high113 Ų11359.4 Ų59.479%0.7931%0.312SS*.THydrogen-bonded Turntrans-83.5-11.2178.754.70000113.8D191D191-S193 PolarHBondContact O-N 2.86Å; D191-S193 VanDerWaalsContact O-N 3.11Å
194H91Very high92.1Very high54 Ų5456 Ų5625%0.2528%0.275CS..SBendtrans-86.6135.3-174.6-165.9-104.7000112.1R188 D191 L196 H197R188-H194 WeakPolarHBondContact O-CB 3.5Å; R188-H194 VanDerWaalsContact O-CG 3.31Å; D191-H194 HydrophobicContact CB-CB 4.43Å; D191-H194 WeakPolarHBondContact O-CB 3.36Å; D191-H194 PolarHBondContact O-N 3.06Å; H194-L196 VanDerWaalsContact C-N 3.25Å; H194-L196 PolarHBondContact ND1-N 3.28Å; H194-L196 PolarHBondContact O-N 3.12Å; H194-L196 VanDerWaalsContact O-N 3.16Å; H194-H197 WeakPolarHBondContact O-CB 3.03Å; H194-H197 PolarHBondContact O-N 3.12Å
195Q90.7Very high92.1Very high139 Ų13959.8 Ų59.865%0.6529%0.286SS*.THydrogen-bonded Turntrans-58.9-35.3-174.6-61.7177.11300113V148 H197V148-Q195 HydrophobicContact CB-CB 4.24Å; V148-Q195 HydrophobicContact CG1-CB 4.38Å; V148-Q195 HydrophobicContact CG2-CB 4.18Å; Q195-H197 VanDerWaalsContact C-N 3.26Å; Q195-H197 PolarHBondContact O-N 2.85Å
196L92Very high92.2Very high9 Ų956.1 Ų56.15%0.04726%0.261CS..THydrogen-bonded Turntrans-76.2-5.5176.6-57.4-177.5000114.3V148 P150 Q155 I159 F189 H194 V198 Y199 Y200V148-L196 HydrophobicContact CB-CD2 4.37Å; V148-L196 HydrophobicContact CG1-CD2 3.97Å; V148-L196 WeakPolarHBondContact O-CD2 3.47Å; P150-L196 HydrophobicContact CB-CD1 4.36Å; P150-L196 HydrophobicContact CG-CD2 4.41Å; Q155-L196 HydrophobicContact CG-CD1 4.11Å; Q155-L196 VanDerWaalsContact OE1-CD1 3.32Å; I159-L196 HydrophobicContact CD1-CB 4.39Å; I159-L196 HydrophobicContact CD1-CD1 4.12Å; F189-L196 HydrophobicContact CB-CB 3.99Å; H194-L196 VanDerWaalsContact C-N 3.25Å; H194-L196 PolarHBondContact ND1-N 3.28Å; H194-L196 PolarHBondContact O-N 3.12Å; H194-L196 VanDerWaalsContact O-N 3.16Å; L196-V198 PolarHBondContact O-N 3.15Å; L196-Y199 WeakPolarHBondContact O-CB 3.37Å; L196-Y199 PolarHBondContact O-N 3.04Å; L196-Y199 VanDerWaalsContact O-N 3.17Å; L196-Y200 WeakPolarHBondContact O-CB 3.12Å; L196-Y200 PolarHBondContact O-N 3.47Å
197H93.8Very high92.3Very high18 Ų1851.5 Ų51.58%0.08324%0.242CC..Hα-helixtrans-60.4-38.7174.4-169.690.3000111.3F189 L190 D191 Y192 H194 Q195 Y199 Y200 K201F189-H197 VanDerWaalsContact O-CA 3.29Å; F189-H197 WeakPolarHBondContact O-CA 3.4Å; F189-H197 WeakPolarHBondContact O-CB 3.44Å; F189-H197 PolarHBondContact O-ND1 3.09Å; L190-H197 PolarHBondContact O-CE1 3.3Å; L190-H197 PolarHBondContact O-ND1 3.44Å; D191-H197 WeakPolarHBondContact O-CB 3.41Å; D191-H197 PolarHBondContact O-ND1 2.92Å; Y192-H197 AromaticContact CD1-CE1 3.74Å; Y192-H197 AromaticContact CD1-NE2 3.44Å; Y192-H197 WeakPolarHBondContact CD1-NE2 3.49Å; Y192-H197 AromaticContact CE1-NE2 3.82Å; H194-H197 WeakPolarHBondContact O-CB 3.03Å; H194-H197 PolarHBondContact O-N 3.12Å; Q195-H197 VanDerWaalsContact C-N 3.26Å; Q195-H197 PolarHBondContact O-N 2.85Å; H197-Y199 VanDerWaalsContact C-N 3.32Å; H197-Y199 PolarHBondContact O-N 2.89Å; H197-Y200 PolarHBondContact O-N 3.48Å; H197-K201 VanDerWaalsContact CE1-CE 3.49Å; H197-K201 WeakPolarHBondContact CE1-CE 3.19Å; H197-K201 WeakPolarHBondContact NE2-CE 3.33Å; H197-K201 WeakPolarHBondContact O-CB 3.18Å; H197-K201 VanDerWaalsContact O-CG 3.28Å; H197-K201 WeakPolarHBondContact O-CG 3.26Å; H197-K201 PolarHBondContact O-N 3.49Å
198V92.1Very high92.2Very high85 Ų8554.4 Ų54.452%0.51525%0.254SS..Hα-helixtrans-62.6-41.1176.2-171.60000111V147 L196 H202V147-V198 HydrophobicContact CB-CG1 4.5Å; V147-V198 HydrophobicContact CG1-CB 4.28Å; V147-V198 HydrophobicContact CG1-CG1 4.09Å; V147-V198 HydrophobicContact CG2-CG1 3.87Å; L196-V198 PolarHBondContact O-N 3.15Å; V198-H202 WeakPolarHBondContact O-CB 3.36Å; V198-H202 PolarHBondContact O-N 3.19Å; V198-H202 VanDerWaalsContact O-N 3.09Å
199Y92.8Very high92.2Very high0 Ų052 Ų520%025%0.249CC..Hα-helixtrans-67.4-49.7176.1179.9-94.6000111.8L141 V143 V147 V148 P150 H156 I159 L196 H197 K201 H202 V203L141-Y199 WeakPolarHBondContact CD1-OH 3.44Å; V143-Y199 HydrophobicContact CG2-CE2 4.16Å; V147-Y199 HydrophobicContact CG1-CD2 4.21Å; V147-Y199 HydrophobicContact CG1-CG 4.5Å; V148-Y199 WeakPolarHBondContact O-CB 3.45Å; P150-Y199 HydrophobicContact CG-CD1 3.63Å; P150-Y199 HydrophobicContact CG-CE1 3.41Å; P150-Y199 VanDerWaalsContact CG-CE1 3.41Å; P150-Y199 HydrophobicContact CG-CG 4.31Å; H156-Y199 PolarHBondContact CE1-OH 3.37Å; H156-Y199 VanDerWaalsContact CE1-OH 3.24Å; H156-Y199 AromaticContact ND1-CE1 3.92Å; H156-Y199 AromaticContact ND1-CZ 3.86Å; H156-Y199 PolarHBondContact ND1-OH 3.39Å; I159-Y199 HydrophobicContact CD1-CD1 4.17Å; I159-Y199 HydrophobicContact CD1-CE1 4.47Å; I159-Y199 HydrophobicContact CG2-CD1 4Å; I159-Y199 HydrophobicContact CG2-CE1 3.99Å; L196-Y199 WeakPolarHBondContact O-CB 3.37Å; L196-Y199 PolarHBondContact O-N 3.04Å; L196-Y199 VanDerWaalsContact O-N 3.17Å; H197-Y199 VanDerWaalsContact C-N 3.32Å; H197-Y199 PolarHBondContact O-N 2.89Å; Y199-K201 PolarHBondContact O-N 2.97Å; Y199-H202 WeakPolarHBondContact O-CA 3.18Å; Y199-H202 WeakPolarHBondContact O-CB 3.36Å; Y199-H202 PolarHBondContact O-N 3.11Å; Y199-V203 HydrophobicContact CD1-CG2 4.11Å; Y199-V203 HydrophobicContact CE1-CG2 3.66Å; Y199-V203 HydrophobicContact CE2-CG2 4.37Å; Y199-V203 WeakPolarHBondContact O-CG2 3.5Å; Y199-V203 PolarHBondContact O-N 3.17Å
200Y94.3Very high91.8Very high0 Ų061 Ų610%029%0.288CS..Hα-helixtrans-57.7-47.3176.6155.3-108.3000112.3I159 A163 I166 E174 F189 L190 L196 H197 H202 V203 L204I159-Y200 HydrophobicContact CG2-CD2 4.25Å; A163-Y200 HydrophobicContact CB-CD2 4.17Å; A163-Y200 HydrophobicContact CB-CE2 4.1Å; I166-Y200 HydrophobicContact CD1-CE2 4.41Å; I166-Y200 VanDerWaalsContact CD1-OH 3.23Å; I166-Y200 WeakPolarHBondContact CD1-OH 3.39Å; E174-Y200 VanDerWaalsContact CD-OH 3.3Å; E174-Y200 WeakPolarHBondContact OE1-CE1 3.37Å; E174-Y200 VanDerWaalsContact OE1-CZ 3.27Å; E174-Y200 PolarHBondContact OE1-OH 2.95Å; F189-Y200 AromaticContact CD2-CD1 3.98Å; F189-Y200 HydrophobicContact CD2-CD1 3.98Å; F189-Y200 AromaticContact CD2-CD2 3.81Å; F189-Y200 HydrophobicContact CD2-CD2 3.81Å; F189-Y200 AromaticContact CD2-CG 3.52Å; F189-Y200 HydrophobicContact CD2-CG 3.52Å; F189-Y200 AromaticContact CE2-CD2 3.71Å; F189-Y200 HydrophobicContact CE2-CD2 3.71Å; F189-Y200 HydrophobicContact CE2-CE2 4.14Å; F189-Y200 AromaticContact CE2-CG 3.94Å; F189-Y200 HydrophobicContact CE2-CG 3.94Å; L190-Y200 HydrophobicContact CD2-CD1 4.22Å; L190-Y200 HydrophobicContact CD2-CE1 3.61Å; L190-Y200 HydrophobicContact CD2-CE2 4.13Å; L196-Y200 WeakPolarHBondContact O-CB 3.12Å; L196-Y200 PolarHBondContact O-N 3.47Å; H197-Y200 PolarHBondContact O-N 3.48Å; Y200-H202 PolarHBondContact O-N 3.09Å; Y200-V203 PolarHBondContact O-N 3.4Å; Y200-L204 HydrophobicContact CE2-CB 4.43Å; Y200-L204 VanDerWaalsContact O-CB 3.31Å; Y200-L204 WeakPolarHBondContact O-CB 3.13Å; Y200-L204 PolarHBondContact O-N 2.87Å
201K93.6Very high91.4Very high66 Ų6668.8 Ų68.829%0.28732%0.317SS..Hα-helixtrans-62.3-31.1175.2-70.6-66.7-171.6-178.10112.3E174 H197 Y199 R205E174-K201 WeakPolarHBondContact OE1-CE 3.44Å; E174-K201 IonicContact OE1-NZ 3.82Å; E174-K201 PolarHBondContact OE1-NZ 2.83Å; E174-K201 IonicContact OE2-NZ 3.9Å; E174-K201 PolarHBondContact OE2-NZ 3.42Å; H197-K201 VanDerWaalsContact CE1-CE 3.49Å; H197-K201 WeakPolarHBondContact CE1-CE 3.19Å; H197-K201 WeakPolarHBondContact NE2-CE 3.33Å; H197-K201 WeakPolarHBondContact O-CB 3.18Å; H197-K201 VanDerWaalsContact O-CG 3.28Å; H197-K201 WeakPolarHBondContact O-CG 3.26Å; H197-K201 PolarHBondContact O-N 3.49Å; Y199-K201 PolarHBondContact O-N 2.97Å; K201-R205 VanDerWaalsContact O-CB 3.31Å; K201-R205 WeakPolarHBondContact O-CB 3.28Å; K201-R205 PolarHBondContact O-N 2.85Å; K201-R205 VanDerWaalsContact O-N 3.07Å
202H91.3Very high91.2Very high11 Ų1167.1 Ų67.15%0.05131%0.307CS..Hα-helixtrans-72.2-45.2174.2-17927.8000112.6L141 V143 P144 V198 Y199 Y200 R205 M206L141-H202 PolarHBondContact O-NE2 2.89Å; L141-H202 VanDerWaalsContact O-NE2 3.08Å; V143-H202 WeakPolarHBondContact CA-NE2 3.1Å; P144-H202 VanDerWaalsContact CD-NE2 3.28Å; P144-H202 WeakPolarHBondContact CD-NE2 3.21Å; V198-H202 WeakPolarHBondContact O-CB 3.36Å; V198-H202 PolarHBondContact O-N 3.19Å; V198-H202 VanDerWaalsContact O-N 3.09Å; Y199-H202 WeakPolarHBondContact O-CA 3.18Å; Y199-H202 WeakPolarHBondContact O-CB 3.36Å; Y199-H202 PolarHBondContact O-N 3.11Å; Y200-H202 PolarHBondContact O-N 3.09Å; H202-R205 PolarHBondContact O-N 2.92Å; H202-M206 VanDerWaalsContact CE1-CG 3.46Å; H202-M206 WeakPolarHBondContact CE1-CG 3.41Å; H202-M206 WeakPolarHBondContact O-CG 3.38Å; H202-M206 PolarHBondContact O-N 3.29Å
203V92.3Very high90.8Very high0 Ų063.1 Ų63.10%030%0.303CS..Hα-helixtrans-59.2-49.7173.41760000110.3L141 A163 Y199 Y200 R205 M206 I207 Y212L141-V203 HydrophobicContact CD2-CG2 4.05Å; A163-V203 HydrophobicContact CB-CB 4.42Å; A163-V203 HydrophobicContact CB-CG1 3.85Å; Y199-V203 HydrophobicContact CD1-CG2 4.11Å; Y199-V203 HydrophobicContact CE1-CG2 3.66Å; Y199-V203 HydrophobicContact CE2-CG2 4.37Å; Y199-V203 WeakPolarHBondContact O-CG2 3.5Å; Y199-V203 PolarHBondContact O-N 3.17Å; Y200-V203 PolarHBondContact O-N 3.4Å; V203-R205 VanDerWaalsContact C-N 3.26Å; V203-R205 PolarHBondContact O-N 2.97Å; V203-M206 PolarHBondContact O-N 3.44Å; V203-I207 HydrophobicContact CG1-CD1 3.94Å; V203-I207 HydrophobicContact CG1-CG1 4.41Å; V203-I207 WeakPolarHBondContact O-CG1 3.45Å; V203-I207 PolarHBondContact O-N 2.89Å; V203-Y212 HydrophobicContact CG1-CD1 4.29Å; V203-Y212 HydrophobicContact CG1-CE1 4.14Å
204L93.6Very high90.3Very high9 Ų959.1 Ų59.15%0.04727%0.274CS..Hα-helixtrans-55.6-40176.6-179.965.9000112.4A163 I166 A167 Y200 K208A163-L204 HydrophobicContact CB-CB 4.17Å; A163-L204 HydrophobicContact CB-CD1 4.4Å; A163-L204 WeakPolarHBondContact O-CD1 3.33Å; I166-L204 HydrophobicContact CB-CD1 4.05Å; I166-L204 HydrophobicContact CG2-CD1 3.85Å; I166-L204 HydrophobicContact CG2-CD2 4.07Å; A167-L204 HydrophobicContact CB-CD1 4.19Å; Y200-L204 HydrophobicContact CE2-CB 4.43Å; Y200-L204 VanDerWaalsContact O-CB 3.31Å; Y200-L204 WeakPolarHBondContact O-CB 3.13Å; Y200-L204 PolarHBondContact O-N 2.87Å; L204-K208 HydrophobicContact CD1-CD 4.35Å; L204-K208 HydrophobicContact CG-CD 4.32Å; L204-K208 WeakPolarHBondContact O-CB 3.42Å; L204-K208 WeakPolarHBondContact O-CG 3.38Å; L204-K208 PolarHBondContact O-N 3.48Å
205R92.5Very high89.1Confident125 Ų12560.3 Ų60.347%0.47229%0.288SS..Hα-helixtrans-67-45.6174.1174.1164.258.5104.4-4.7112K201 H202 V203 I207 K208 E209K201-R205 VanDerWaalsContact O-CB 3.31Å; K201-R205 WeakPolarHBondContact O-CB 3.28Å; K201-R205 PolarHBondContact O-N 2.85Å; K201-R205 VanDerWaalsContact O-N 3.07Å; H202-R205 PolarHBondContact O-N 2.92Å; V203-R205 VanDerWaalsContact C-N 3.26Å; V203-R205 PolarHBondContact O-N 2.97Å; R205-I207 VanDerWaalsContact C-N 3.32Å; R205-I207 PolarHBondContact O-N 2.9Å; R205-K208 PolarHBondContact O-N 2.6Å; R205-E209 WeakPolarHBondContact CD-OE1 3.19Å; R205-E209 HydrophobicContact CG-CG 4.28Å; R205-E209 WeakPolarHBondContact CG-OE1 3.29Å; R205-E209 IonicContact NH1-OE1 3.75Å; R205-E209 WeakPolarHBondContact O-CB 3.28Å; R205-E209 WeakPolarHBondContact O-CG 3.21Å; R205-E209 PolarHBondContact O-N 3.23Å
206M91.1Very high87.6Confident10 Ų1057.9 Ų57.95%0.04928%0.283CS..Hα-helixtrans-63.1-36178.9-70.5-71.5-75.600112.5K142 H202 V203 K210 R211 Y212K142-M206 HydrophobicContact CB-CE 4.49Å; H202-M206 VanDerWaalsContact CE1-CG 3.46Å; H202-M206 WeakPolarHBondContact CE1-CG 3.41Å; H202-M206 WeakPolarHBondContact O-CG 3.38Å; H202-M206 PolarHBondContact O-N 3.29Å; V203-M206 PolarHBondContact O-N 3.44Å; M206-K210 PolarHBondContact O-N 3.27Å; M206-R211 HydrophobicContact CE-CB 3.62Å; M206-R211 PolarHBondContact O-N 3.22Å; M206-R211 HydrophobicContact SD-CB 3.88Å; M206-Y212 PolarHBondContact O-N 3.27Å
207I92.4Very high85.7Confident21 Ų2162 Ų6211%0.10830%0.302CS..Hα-helixtrans-67.5-47.2172.7-62.1174.6000110.5A163 A167 V203 R205 E209 K210 Y212 P214A163-I207 HydrophobicContact CB-CD1 3.91Å; A167-I207 HydrophobicContact CB-CB 4.31Å; A167-I207 HydrophobicContact CB-CG2 3.57Å; V203-I207 HydrophobicContact CG1-CD1 3.94Å; V203-I207 HydrophobicContact CG1-CG1 4.41Å; V203-I207 WeakPolarHBondContact O-CG1 3.45Å; V203-I207 PolarHBondContact O-N 2.89Å; R205-I207 VanDerWaalsContact C-N 3.32Å; R205-I207 PolarHBondContact O-N 2.9Å; I207-E209 VanDerWaalsContact C-N 3.34Å; I207-E209 PolarHBondContact O-N 3.47Å; I207-K210 WeakPolarHBondContact O-CA 3.42Å; I207-K210 PolarHBondContact O-N 2.7Å; I207-Y212 HydrophobicContact CD1-CD1 4.32Å; I207-Y212 HydrophobicContact CG1-CD1 3.79Å; I207-P214 HydrophobicContact CD1-CB 4.24Å; I207-P214 HydrophobicContact CD1-CG 4.25Å
208K91.1Very high83.3Confident103 Ų10370.8 Ų70.845%0.44834%0.34SS..Hα-helixtrans-64-35178-75.5177.5177.3176.90113.2A167 L204 R205 K210A167-K208 HydrophobicContact CB-CG 3.99Å; L204-K208 HydrophobicContact CD1-CD 4.35Å; L204-K208 HydrophobicContact CG-CD 4.32Å; L204-K208 WeakPolarHBondContact O-CB 3.42Å; L204-K208 WeakPolarHBondContact O-CG 3.38Å; L204-K208 PolarHBondContact O-N 3.48Å; R205-K208 PolarHBondContact O-N 2.6Å; K208-K210 PolarHBondContact O-N 2.85Å
209E91.4Very high80.8Confident85 Ų8570.6 Ų70.640%0.39734%0.335SS..THydrogen-bonded Turntrans-75.9-3.6171.3-70.7-175.2-137.300113.4R205 I207 R211R205-E209 WeakPolarHBondContact CD-OE1 3.19Å; R205-E209 HydrophobicContact CG-CG 4.28Å; R205-E209 WeakPolarHBondContact CG-OE1 3.29Å; R205-E209 IonicContact NH1-OE1 3.75Å; R205-E209 WeakPolarHBondContact O-CB 3.28Å; R205-E209 WeakPolarHBondContact O-CG 3.21Å; R205-E209 PolarHBondContact O-N 3.23Å; I207-E209 VanDerWaalsContact C-N 3.34Å; I207-E209 PolarHBondContact O-N 3.47Å; E209-R211 HydrophobicContact CB-CB 4.5Å; E209-R211 HydrophobicContact CB-CG 3.94Å; E209-R211 PolarHBondContact O-N 3.49Å; E209-R211 WeakPolarHBondContact OE2-CD 3.4Å; E209-R211 IonicContact OE2-CZ 3.83Å; E209-R211 IonicContact OE2-NE 2.8Å; E209-R211 PolarHBondContact OE2-NE 2.83Å
210K86.2Confident78Confident190 Ų19077.6 Ų77.683%0.82637%0.366SS*.THydrogen-bonded Turntrans55.128.6-173.5-54-177.7-178.8-178.30113.9M206 I207 K208M206-K210 PolarHBondContact O-N 3.27Å; I207-K210 WeakPolarHBondContact O-CA 3.42Å; I207-K210 PolarHBondContact O-N 2.7Å; K208-K210 PolarHBondContact O-N 2.85Å
211R85.7Confident75.2Confident168 Ų16883.6 Ų83.663%0.63440%0.396SS*.SBendtrans-93.1-13.6177.4-67.9-173.1-174.5-76.82.9113.9M206 E209M206-R211 HydrophobicContact CE-CB 3.62Å; M206-R211 PolarHBondContact O-N 3.22Å; M206-R211 HydrophobicContact SD-CB 3.88Å; E209-R211 HydrophobicContact CB-CB 4.5Å; E209-R211 HydrophobicContact CB-CG 3.94Å; E209-R211 PolarHBondContact O-N 3.49Å; E209-R211 WeakPolarHBondContact OE2-CD 3.4Å; E209-R211 IonicContact OE2-CZ 3.83Å; E209-R211 IonicContact OE2-NE 2.8Å; E209-R211 PolarHBondContact OE2-NE 2.83Å
212Y85.5Confident72.4Confident12 Ų1286.5 Ų86.55%0.04742%0.415CS..SBendtrans-132.6121.2172.9175.4-115.2000107.6E140 L141 E160 V203 M206 I207 P214E140-Y212 HydrophobicContact CB-CD2 4.29Å; L141-Y212 HydrophobicContact CD1-CE2 4.1Å; L141-Y212 HydrophobicContact CD2-CD1 3.66Å; L141-Y212 HydrophobicContact CD2-CD2 3.61Å; L141-Y212 HydrophobicContact CD2-CE1 3.89Å; L141-Y212 HydrophobicContact CD2-CE2 3.81Å; L141-Y212 HydrophobicContact CD2-CG 3.51Å; L141-Y212 HydrophobicContact CG-CD2 3.75Å; L141-Y212 HydrophobicContact CG-CE1 4.49Å; L141-Y212 HydrophobicContact CG-CE2 3.64Å; L141-Y212 HydrophobicContact CG-CG 4.19Å; E160-Y212 HydrophobicContact CG-CE1 4.31Å; E160-Y212 PolarHBondContact OE1-OH 2.92Å; V203-Y212 HydrophobicContact CG1-CD1 4.29Å; V203-Y212 HydrophobicContact CG1-CE1 4.14Å; M206-Y212 PolarHBondContact O-N 3.27Å; I207-Y212 HydrophobicContact CD1-CD1 4.32Å; I207-Y212 HydrophobicContact CG1-CD1 3.79Å; Y212-P214 HydrophobicContact CE1-CB 4.36Å
213T82.5Confident69.8Low107 Ų10789.5 Ų89.566%0.65643%0.428SS*.  trans-87.1114.8167.940.50000107.7
214P79.5Confident67.2Low29 Ų2995.6 Ų95.619%0.18846%0.459CS..  trans-60.9144.617625.6-31.9000109.8E160 I207 Y212 V216E160-P214 HydrophobicContact CG-CB 3.74Å; E160-P214 VanDerWaalsContact OE1-CA 3.28Å; E160-P214 WeakPolarHBondContact OE1-CA 3.43Å; I207-P214 HydrophobicContact CD1-CB 4.24Å; I207-P214 HydrophobicContact CD1-CG 4.25Å; Y212-P214 HydrophobicContact CE1-CB 4.36Å; P214-V216 HydrophobicContact CB-CG2 4.32Å; P214-V216 HydrophobicContact CG-CG2 4.11Å; P214-V216 PolarHBondContact O-N 3.32Å
215S67.5Low64.6Low79 Ų79101.8 Ų101.855%0.55250%0.497SS*.  trans-73.165.8177.6-167.20000111E160 E217E160-S215 PolarHBondContact OE1-N 3.5Å; S215-E217 PolarHBondContact O-N 3.34Å
216V59.2Low62.2Low89 Ų89102.5 Ų102.554%0.53950%0.504SS..  trans-73.178168.5-172.30000107.5P214 K218P214-V216 HydrophobicContact CB-CG2 4.32Å; P214-V216 HydrophobicContact CG-CG2 4.11Å; P214-V216 PolarHBondContact O-N 3.32Å; V216-K218 PolarHBondContact O-N 2.87Å; V216-K218 VanDerWaalsContact O-N 3.17Å
217E51.4Low59.7Low96 Ų96107.7 Ų107.745%0.44953%0.528SS..  trans-40.1120.7153-68.3164.7-164.200107K157 S215 I219K157-E217 IonicContact NZ-OE1 3.01Å; K157-E217 PolarHBondContact NZ-OE1 3.45Å; S215-E217 PolarHBondContact O-N 3.34Å; E217-I219 HydrophobicContact CB-CD1 4.35Å; E217-I219 HydrophobicContact CB-CG1 4.21Å; E217-I219 PolarHBondContact O-N 2.91Å
218K43Very low57.3Low202 Ų202115.6 Ų115.688%0.87856%0.564SS**  trans-75.744.5-179.6-66.6-175.8-178.7177.20112.2V216 K220V216-K218 PolarHBondContact O-N 2.87Å; V216-K218 VanDerWaalsContact O-N 3.17Å; K218-K220 PolarHBondContact O-N 3.11Å
219I39.5Very low54.6Low81 Ų81117.9 Ų117.942%0.41558%0.581SS.*  trans-52.4128.1152.5-58.2171.5000105.6E217 I221 I224E217-I219 HydrophobicContact CB-CD1 4.35Å; E217-I219 HydrophobicContact CB-CG1 4.21Å; E217-I219 PolarHBondContact O-N 2.91Å; I219-I221 WeakPolarHBondContact O-CG1 3.5Å; I219-I221 PolarHBondContact O-N 2.96Å; I219-I224 HydrophobicContact CG2-CD1 4.12Å
220K34.5Very low51.8Low147 Ų147120.8 Ų120.864%0.63960%0.599SS**  trans-66.8102.7178.6-63.1170.4-175.2170.70107.5K218 D222 K223K218-K220 PolarHBondContact O-N 3.11Å; K220-D222 PolarHBondContact O-N 2.88Å; K220-D222 VanDerWaalsContact O-N 3.08Å; K220-K223 HydrophobicContact CB-CB 4.34Å; K220-K223 HydrophobicContact CB-CG 4.27Å; K220-K223 HydrophobicContact CD-CD 4.48Å; K220-K223 WeakPolarHBondContact O-CB 3.4Å; K220-K223 PolarHBondContact O-N 3.03Å
221I36.6Very low49.5Very low125 Ų125119.4 Ų119.464%0.64160%0.601SS**THydrogen-bonded Turntrans-76.413.9172.7-36.3-174000111I219 K223I219-I221 WeakPolarHBondContact O-CG1 3.5Å; I219-I221 PolarHBondContact O-N 2.96Å; I221-K223 VanDerWaalsContact C-N 3.29Å
222D33.6Very low47.6Very low127 Ų127120.3 Ų120.368%0.67961%0.612SS**THydrogen-bonded Turntrans-84.53.6155.3-59.3-59.8000112.7K220 K226K220-D222 PolarHBondContact O-N 2.88Å; K220-D222 VanDerWaalsContact O-N 3.08Å; D222-K226 WeakPolarHBondContact O-CB 3.47Å; D222-K226 WeakPolarHBondContact O-CD 3.38Å
223K37.5Very low45.4Very low74 Ų74128.7 Ų128.732%0.32265%0.652SS.*THydrogen-bonded Turntrans-130.3-16.1-172.1-71.6-152.896.7-1520117.8K220 I221 V225 K226 E227K220-K223 HydrophobicContact CB-CB 4.34Å; K220-K223 HydrophobicContact CB-CG 4.27Å; K220-K223 HydrophobicContact CD-CD 4.48Å; K220-K223 WeakPolarHBondContact O-CB 3.4Å; K220-K223 PolarHBondContact O-N 3.03Å; I221-K223 VanDerWaalsContact C-N 3.29Å; K223-V225 PolarHBondContact O-N 2.94Å; K223-K226 WeakPolarHBondContact CE-O 3.22Å; K223-K226 CarbonylContact O-C 3.59Å; K223-K226 WeakPolarHBondContact O-CA 3.34Å; K223-K226 PolarHBondContact O-N 3.34Å; K223-E227 HydrophobicContact CB-CG 3.76Å; K223-E227 WeakPolarHBondContact CB-OE2 3.5Å; K223-E227 HydrophobicContact CD-CG 3.88Å; K223-E227 VanDerWaalsContact CD-OE1 3.25Å; K223-E227 WeakPolarHBondContact CD-OE1 3.23Å; K223-E227 VanDerWaalsContact CE-OE1 3.28Å; K223-E227 WeakPolarHBondContact CE-OE1 3.41Å; K223-E227 HydrophobicContact CG-CG 4.22Å; K223-E227 IonicContact NZ-OE1 2.77Å; K223-E227 PolarHBondContact NZ-OE1 3.15Å; K223-E227 VanDerWaalsContact O-CB 3.31Å; K223-E227 WeakPolarHBondContact O-CB 3.4Å; K223-E227 PolarHBondContact O-N 3.07Å
224I37.6Very low43.7Very low128 Ų128131.4 Ų131.466%0.65666%0.662SS**THydrogen-bonded Turntrans-84.415.4167.4-60.2176.5000112.2I219I219-I224 HydrophobicContact CG2-CD1 4.12Å
225V38.9Very low42Very low140 Ų140134.3 Ų134.385%0.84868%0.683SS**THydrogen-bonded Turntrans-134.831.2158.6-1630000108.3K223K223-V225 PolarHBondContact O-N 2.94Å
226K40.9Very low41.1Very low140 Ų140137.9 Ų137.961%0.60970%0.696SS**SBendtrans-17126.1-167.8-128.2179.2179.5179.90115.4D222 K223D222-K226 WeakPolarHBondContact O-CB 3.47Å; D222-K226 WeakPolarHBondContact O-CD 3.38Å; K223-K226 WeakPolarHBondContact CE-O 3.22Å; K223-K226 CarbonylContact O-C 3.59Å; K223-K226 WeakPolarHBondContact O-CA 3.34Å; K223-K226 PolarHBondContact O-N 3.34Å
227E39.7Very low40.5Very low119 Ų119141 Ų14156%0.55671%0.71SS**SBendtrans-1324.2174-85.9177.5152.800113.1K223K223-E227 HydrophobicContact CB-CG 3.76Å; K223-E227 WeakPolarHBondContact CB-OE2 3.5Å; K223-E227 HydrophobicContact CD-CG 3.88Å; K223-E227 VanDerWaalsContact CD-OE1 3.25Å; K223-E227 WeakPolarHBondContact CD-OE1 3.23Å; K223-E227 VanDerWaalsContact CE-OE1 3.28Å; K223-E227 WeakPolarHBondContact CE-OE1 3.41Å; K223-E227 HydrophobicContact CG-CG 4.22Å; K223-E227 IonicContact NZ-OE1 2.77Å; K223-E227 PolarHBondContact NZ-OE1 3.15Å; K223-E227 VanDerWaalsContact O-CB 3.31Å; K223-E227 WeakPolarHBondContact O-CB 3.4Å; K223-E227 PolarHBondContact O-N 3.07Å
228E41.5Very low40.3Very low186 Ų186141.5 Ų141.587%0.86972%0.724SS**SBendtrans-96134.8138.6-68.4175.7-178.600104.6
229L35.2Very low40.5Very low151 Ų151138 Ų13879%0.79172%0.724SS**SBendtrans68.388.8-156.8-49.1176.5000114.4
230N31.9Very low41.5Very low146 Ų146139.8 Ų139.878%0.78173%0.734SS**  172.685.1122.5-94.926.5000111.6
231D38.5Very low42.8Very low161 Ų161142 Ų14286%0.86174%0.739SS**  trans-162.4125.1154.1-73.9-45.6000102.9
232E46Very low44.5Very low188 Ų188140.3 Ų140.388%0.87973%0.732SS**  cis-131.2-178.62.4-62.8-170.5147.800112.2
233E37.8Very low45.8Very low188 Ų188139.3 Ų139.388%0.87972%0.723SS**  trans-59.8130.3-175.1-52.1172.9157.300114.5
234D48.2Very low47Very low164 Ų164140.6 Ų140.688%0.87774%0.739SS**  -175.8163.9111.7-121.7-31000116.2
235S44.2Very low48.3Very low90 Ų90139.2 Ų139.263%0.62974%0.74SS**  trans51.298150.4-159.90000122.9
236D47.1Very low49.4Very low154 Ų154138.6 Ų138.682%0.82473%0.731SS**  69.8113129.1-61.8-34.9000125.9
237D47.9Very low50.4Low153 Ų153137.5 Ų137.582%0.81872%0.723SS**  trans95.7149130.4-1447.9000123.1
238S47.1Very low51Low108 Ų108135.1 Ų135.176%0.75573%0.731SS**  trans65.338.6153.5-146.90000121.6
239C46.7Very low51.5Low129 Ų129132.9 Ų132.987%0.87274%0.736SS**  trans-10213.2170.2-79.80000116Y241C239-Y241 PolarHBondContact O-N 3.35Å
240D61.2Low51.9Low117 Ų117129 Ų12963%0.62673%0.733SS**  trans-84.971.2-178.7-167.537.6000112.9R247D240-R247 PolarHBondContact O-NH2 2.69Å; D240-R247 IonicContact OD1-CZ 2.68Å; D240-R247 IonicContact OD1-NH1 3.19Å; D240-R247 IonicContact OD1-NH2 3.22Å; D240-R247 PolarHBondContact OD1-NH2 2.89Å; D240-R247 IonicContact OD2-CZ 3.9Å; D240-R247 VanDerWaalsContact OD2-CZ 3.24Å; D240-R247 IonicContact OD2-NH1 2.74Å; D240-R247 PolarHBondContact OD2-NH1 3.22Å; D240-R247 IonicContact OD2-NH2 2.93Å; D240-R247 PolarHBondContact OD2-NH2 2.74Å
241Y61.3Low52.5Low193 Ų193131.4 Ų131.476%0.75774%0.736SS**  trans-115.365.8178.1-157.1-92.5000114.5C239 H243C239-Y241 PolarHBondContact O-N 3.35Å; Y241-H243 PolarHBondContact O-N 2.99Å
242L71Confident52.5Low91 Ų91129.8 Ų129.848%0.47673%0.732SS.*  trans-66.4124.9156.1-89.576.4000109.7L246 R247L242-L246 HydrophobicContact CD2-CB 4.46Å; L242-R247 HydrophobicContact CB-CG 3.5Å; L242-R247 HydrophobicContact CD2-CG 4.33Å; L242-R247 PolarHBondContact O-NE 3.32Å
243H61.3Low51.9Low106 Ų106130.9 Ų130.949%0.49173%0.734SS.*  trans-48.2142.9172.7-172.5-103.1000111.8Y241 S245 L246Y241-H243 PolarHBondContact O-N 2.99Å; H243-S245 PolarHBondContact CE1-OG 3.38Å; H243-S245 VanDerWaalsContact CE1-OG 3.29Å; H243-S245 PolarHBondContact ND1-OG 2.94Å; H243-S245 PolarHBondContact O-N 2.92Å; H243-L246 PolarHBondContact O-N 2.96Å
244P64Low51.6Low101 Ų101126.5 Ų126.566%0.65673%0.73SS**THydrogen-bonded Turntrans-55.2-26-172.5-29.536.3000115.5L246P244-L246 VanDerWaalsContact C-N 3.29Å; P244-L246 PolarHBondContact O-N 2.91Å
245S64.1Low50.9Low99 Ų99123 Ų12369%0.69272%0.724SS**THydrogen-bonded Turntrans-74.7-10.8176.8-410000114.9H243H243-S245 PolarHBondContact CE1-OG 3.38Å; H243-S245 VanDerWaalsContact CE1-OG 3.29Å; H243-S245 PolarHBondContact ND1-OG 2.94Å; H243-S245 PolarHBondContact O-N 2.92Å
246L62Low50.3Low126 Ų126127 Ų12766%0.6673%0.732SS**THydrogen-bonded Turntrans-117.7-12-171.5-73.4166000114.2L242 H243 P244 G248L242-L246 HydrophobicContact CD2-CB 4.46Å; H243-L246 PolarHBondContact O-N 2.96Å; P244-L246 VanDerWaalsContact C-N 3.29Å; P244-L246 PolarHBondContact O-N 2.91Å; L246-G248 PolarHBondContact O-N 3.29Å
247R62.6Low49.6Very low117 Ų117126.6 Ų126.644%0.44273%0.731SS.*  trans-73.890.8173-71.1-169.1174-92.2-16.1110.7D240 L242D240-R247 PolarHBondContact O-NH2 2.69Å; D240-R247 IonicContact OD1-CZ 2.68Å; D240-R247 IonicContact OD1-NH1 3.19Å; D240-R247 IonicContact OD1-NH2 3.22Å; D240-R247 PolarHBondContact OD1-NH2 2.89Å; D240-R247 IonicContact OD2-CZ 3.9Å; D240-R247 VanDerWaalsContact OD2-CZ 3.24Å; D240-R247 IonicContact OD2-NH1 2.74Å; D240-R247 PolarHBondContact OD2-NH1 3.22Å; D240-R247 IonicContact OD2-NH2 2.93Å; D240-R247 PolarHBondContact OD2-NH2 2.74Å; L242-R247 HydrophobicContact CB-CG 3.5Å; L242-R247 HydrophobicContact CD2-CG 4.33Å; L242-R247 PolarHBondContact O-NE 3.32Å
248G52.1Low49.2Very low69 Ų69125.4 Ų125.471%0.71173%0.734SS**  trans-70.3158.8-173.500000115.7L246 G250L246-G248 PolarHBondContact O-N 3.29Å; G248-G250 PolarHBondContact O-N 3.18Å
249S51.4Low48.6Very low140 Ų140131.2 Ų131.298%0.97974%0.739SS**  trans-72.380.1175.5-69.70000112.7
250G43.3Very low48.2Very low70 Ų70130 Ų13072%0.72273%0.73SS**  trans-97107.8172.600000113.3G248G248-G250 PolarHBondContact O-N 3.18Å
251K45.4Very low46.8Very low195 Ų195130.7 Ų130.785%0.84874%0.739SS**  trans-152.2141166.7-68.1-168.8178.7-173.20109
252T38.1Very low45.6Very low128 Ų128127.3 Ų127.379%0.78574%0.738SS**  cis-157.6164.7-12.6160000107.4
253F33Very low44.1Very low211 Ų211128 Ų12893%0.92575%0.75SS**  trans-62.8140.7176.7-65.8-102.6000113.4
254A32.5Very low43.2Very low95 Ų95130.5 Ų130.579%0.78577%0.766SS**  trans172.3146.813000000113.8
255A31.7Very low42Very low90 Ų90131 Ų13174%0.74477%0.769SS**  trans48.2116.2149.800000122.8
256E31.7Very low40.9Very low174 Ų174134 Ų13481%0.81377%0.774SS**  57.4125.2128.2-60.6-174.1-172.900123.6
257N33.9Very low40.1Very low147 Ų147133.1 Ų133.179%0.78678%0.776SS**  trans70.1135148.2-74-41.5000121.7
258S38.7Very low39.4Very low127 Ų127136.4 Ų136.489%0.88880%0.796SS**  trans80.7148.3163.279.80000119.7
259R35.2Very low39.5Very low231 Ų231139 Ų13987%0.87279%0.792SS**  trans-85.8147.4-172.1179.5-178.1179-149.90109
260P37.7Very low39.7Very low102 Ų102138.7 Ų138.766%0.66278%0.78SS**  cis-138.4159.54333.8-13.3000118.9T262P260-T262 PolarHBondContact O-N 2.95Å
261T32.5Very low39.8Very low133 Ų133141.8 Ų141.882%0.81677%0.771SS**  trans-70.2109.4160.346.80000111
262T36.5Very low40.3Very low122 Ų122134.4 Ų134.475%0.74874%0.743SS**  trans-102.979.9168.8-51.60000109.5P260 I264P260-T262 PolarHBondContact O-N 2.95Å; T262-I264 PolarHBondContact O-N 2.87Å
263S39.2Very low41Very low104 Ų104135.6 Ų135.673%0.72774%0.744SS**PPolyproline II helixtrans-67.8117.2169.7520000109.3P265S263-P265 WeakPolarHBondContact O-CD 3.32Å
264I41.7Very low42.2Very low160 Ų160129.4 Ų129.482%0.82174%0.739SS**PPolyproline II helixtrans-58.7121175.1-60169.4000108T262T262-I264 PolarHBondContact O-N 2.87Å
265P38.4Very low43.8Very low110 Ų110130.8 Ų130.871%0.71473%0.728SS**PPolyproline II helixtrans-69.7135.6177.328.7-33.2000109.6S263S263-P265 WeakPolarHBondContact O-CD 3.32Å
266M41.1Very low45.3Very low164 Ų164133.9 Ų133.981%0.80873%0.726SS**PPolyproline II helixtrans-58.6143.1158-82-176.863.500108.7Q268M266-Q268 PolarHBondContact O-N 3Å
267P45.6Very low46.8Very low107 Ų107130.3 Ų130.370%0.69571%0.713SS**  trans-62.8112.5175.526.3-33.3000109.4I269P267-I269 PolarHBondContact O-N 3.19Å; P267-I269 VanDerWaalsContact O-N 3.13Å
268Q47.8Very low48.6Very low185 Ų185124 Ų12486%0.86468%0.68SS**  trans-72.3103.7166.6-66.2-166.4-94.800107.7M266M266-Q268 PolarHBondContact O-N 3Å
269I53.9Low50.2Low124 Ų124121.8 Ų121.864%0.63666%0.66SS**  trans-85.2111.8171.8-58.8174.1000106.3P267 Y271P267-I269 PolarHBondContact O-N 3.19Å; P267-I269 VanDerWaalsContact O-N 3.13Å; I269-Y271 HydrophobicContact CG2-CD2 4.46Å; I269-Y271 PolarHBondContact O-N 3.02Å
270D55.7Low51.9Low134 Ų134119.5 Ų119.572%0.71765%0.653SS**  trans-69.877.5-179-81.7-19.4000111.6C272D270-C272 PolarHBondContact O-N 3.09Å
271Y45.4Very low53.7Low135 Ų135116.3 Ų116.353%0.52963%0.633SS.*  trans-70.797.9-172.8-139.4-68.7000111I269 V279I269-Y271 HydrophobicContact CG2-CD2 4.46Å; I269-Y271 PolarHBondContact O-N 3.02Å; Y271-V279 HydrophobicContact CE2-CG2 3.7Å; Y271-V279 VanDerWaalsContact OH-CB 3.28Å; Y271-V279 WeakPolarHBondContact OH-CB 3.29Å; Y271-V279 WeakPolarHBondContact OH-CG2 3.39Å
272C55.8Low55.9Low40 Ų40114 Ų11427%0.2762%0.615SS.*  trans-120.4108.4179.1-66.40000109.9D270 G274 K275D270-C272 PolarHBondContact O-N 3.09Å; C272-G274 PolarHBondContact O-N 2.94Å; C272-K275 HydrophobicContact CB-CB 3.99Å; C272-K275 HydrophobicContact CB-CD 3.45Å; C272-K275 VanDerWaalsContact CB-CD 3.45Å; C272-K275 HydrophobicContact CB-CG 3.62Å; C272-K275 PolarHBondContact O-N 2.92Å; C272-K275 PolarHBondContact SG-NZ 3.43Å
273L53.6Low58Low153 Ų153112.8 Ų112.880%0.80160%0.604SS**THydrogen-bonded Turntrans-56129.3177.3-134.777.6000110.3K275 D278L273-K275 VanDerWaalsContact C-N 3.34Å; L273-D278 WeakPolarHBondContact CA-OD2 3.44Å; L273-D278 WeakPolarHBondContact CD1-OD2 3.32Å
274G58.4Low59.9Low80 Ų80111.3 Ų111.383%0.82558%0.583SS**THydrogen-bonded Turntrans79.54.5-17800000116.1C272C272-G274 PolarHBondContact O-N 2.94Å
275K64.4Low61.8Low125 Ų125108.3 Ų108.354%0.54356%0.564SS.*SBendtrans-89.8160.5161.2-64.9-168.7-166.3161.90110.8C272 L273 N277 D278 S281C272-K275 HydrophobicContact CB-CB 3.99Å; C272-K275 HydrophobicContact CB-CD 3.45Å; C272-K275 VanDerWaalsContact CB-CD 3.45Å; C272-K275 HydrophobicContact CB-CG 3.62Å; C272-K275 PolarHBondContact O-N 2.92Å; C272-K275 PolarHBondContact SG-NZ 3.43Å; L273-K275 VanDerWaalsContact C-N 3.34Å; K275-N277 PolarHBondContact O-N 2.81Å; K275-D278 PolarHBondContact O-N 3.16Å; K275-S281 PolarHBondContact O-OG 3.13Å
276E64.2Low63.9Low154 Ų154104.5 Ų104.572%0.7255%0.545SS*.THydrogen-bonded Turntrans-62.3-3.8-179.164.6-159.1123.400115.7S281 K285E276-S281 WeakPolarHBondContact O-CB 3.45Å; E276-K285 WeakPolarHBondContact O-CE 3.01Å; E276-K285 PolarHBondContact O-NZ 3.4Å
277N63.9Low65.6Low100 Ų10099.9 Ų99.954%0.53552%0.523SS..THydrogen-bonded Turntrans-112.213.2-179.2-58.4-23.9000113.5K275K275-N277 PolarHBondContact O-N 2.81Å
278D72Confident67.4Low15 Ų1596.5 Ų96.58%0.0850%0.5CS..SBendtrans-64.9147.4170.3-165.4-39.3000110.5L273 K275 Y280 S281 D282L273-D278 WeakPolarHBondContact CA-OD2 3.44Å; L273-D278 WeakPolarHBondContact CD1-OD2 3.32Å; K275-D278 PolarHBondContact O-N 3.16Å; D278-Y280 PolarHBondContact O-N 3Å; D278-Y280 PolarHBondContact OD1-N 3.3Å; D278-S281 CarbonylContact O-C 3.55Å; D278-S281 VanDerWaalsContact O-CA 3.3Å; D278-S281 WeakPolarHBondContact O-CA 3.04Å; D278-S281 VanDerWaalsContact O-CB 3.23Å; D278-S281 WeakPolarHBondContact O-CB 3.46Å; D278-S281 PolarHBondContact O-N 3.37Å; D278-D282 PolarHBondContact O-N 2.92Å
279V70.9Confident68.8Low80 Ų8091.7 Ų91.749%0.48549%0.493SS..Hα-helixtrans-59.1-27.7170.7170.30000111.4Y271 S281 D282 L283Y271-V279 HydrophobicContact CE2-CG2 3.7Å; Y271-V279 VanDerWaalsContact OH-CB 3.28Å; Y271-V279 WeakPolarHBondContact OH-CB 3.29Å; Y271-V279 WeakPolarHBondContact OH-CG2 3.39Å; V279-S281 VanDerWaalsContact C-N 3.3Å; V279-S281 PolarHBondContact O-N 3.23Å; V279-D282 PolarHBondContact O-N 3.2Å; V279-L283 WeakPolarHBondContact O-CB 3.47Å; V279-L283 PolarHBondContact O-N 3.01Å
280Y70.4Confident69.9Low183 Ų18391.7 Ų91.772%0.71849%0.493SS*.Hα-helixtrans-65.5-33.9169.7-127.6-75.2000112.5D278 Y284D278-Y280 PolarHBondContact O-N 3Å; D278-Y280 PolarHBondContact OD1-N 3.3Å; Y280-Y284 VanDerWaalsContact O-CB 3.29Å; Y280-Y284 WeakPolarHBondContact O-CB 3.05Å; Y280-Y284 PolarHBondContact O-N 3.42Å
281S77.1Confident70.8Confident34 Ų3490.8 Ų90.824%0.23848%0.483CS..Hα-helixtrans-72.2-39.5172.9-61.70000111.5K275 E276 D278 V279 Y284 K285K275-S281 PolarHBondContact O-OG 3.13Å; E276-S281 WeakPolarHBondContact O-CB 3.45Å; D278-S281 CarbonylContact O-C 3.55Å; D278-S281 VanDerWaalsContact O-CA 3.3Å; D278-S281 WeakPolarHBondContact O-CA 3.04Å; D278-S281 VanDerWaalsContact O-CB 3.23Å; D278-S281 WeakPolarHBondContact O-CB 3.46Å; D278-S281 PolarHBondContact O-N 3.37Å; V279-S281 VanDerWaalsContact C-N 3.3Å; V279-S281 PolarHBondContact O-N 3.23Å; S281-Y284 PolarHBondContact O-N 3.44Å; S281-K285 VanDerWaalsContact O-CG 3.22Å; S281-K285 WeakPolarHBondContact O-CG 3.28Å; S281-K285 PolarHBondContact O-N 3.03Å
282D78.3Confident72.4Confident84 Ų8488.8 Ų88.845%0.44949%0.486SS..Hα-helixtrans-73.3-35.4178.2-73.3-11.9000112.7D278 V279 Y284 K285 G286D278-D282 PolarHBondContact O-N 2.92Å; V279-D282 PolarHBondContact O-N 3.2Å; D282-Y284 VanDerWaalsContact C-N 3.35Å; D282-K285 PolarHBondContact O-N 2.78Å; D282-K285 WeakPolarHBondContact OD1-CD 3.19Å; D282-K285 WeakPolarHBondContact OD1-CE 3.43Å; D282-K285 IonicContact OD1-NZ 2.76Å; D282-K285 PolarHBondContact OD1-NZ 3.31Å; D282-G286 PolarHBondContact O-N 3.03Å
283L79.9Confident73Confident97 Ų9792.5 Ų92.551%0.50850%0.499SS..Hα-helixtrans-62-42.2167.7177.160.1000111V279 G286 L287V279-L283 WeakPolarHBondContact O-CB 3.47Å; V279-L283 PolarHBondContact O-N 3.01Å; L283-G286 PolarHBondContact O-N 3.24Å; L283-L287 HydrophobicContact CD1-CD1 4.21Å; L283-L287 HydrophobicContact CG-CD1 4.15Å; L283-L287 WeakPolarHBondContact O-CB 3.41Å; L283-L287 PolarHBondContact O-N 2.79Å
284Y79.6Confident73.5Confident73 Ų7388.5 Ų88.529%0.28648%0.479SS..Hα-helixtrans-67.1-40.4174.9179.6-106.1000112.4Y280 S281 D282 G286 L287 V288 L294 K298Y280-Y284 VanDerWaalsContact O-CB 3.29Å; Y280-Y284 WeakPolarHBondContact O-CB 3.05Å; Y280-Y284 PolarHBondContact O-N 3.42Å; S281-Y284 PolarHBondContact O-N 3.44Å; D282-Y284 VanDerWaalsContact C-N 3.35Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; Y284-G286 PolarHBondContact O-N 2.92Å; Y284-L287 PolarHBondContact O-N 2.83Å; Y284-V288 HydrophobicContact CD1-CG2 4.3Å; Y284-V288 HydrophobicContact CD2-CG2 4.22Å; Y284-V288 HydrophobicContact CE1-CG2 3.88Å; Y284-V288 HydrophobicContact CE2-CG2 3.78Å; Y284-V288 HydrophobicContact CG-CG2 4.46Å; Y284-V288 WeakPolarHBondContact O-CB 3.39Å; Y284-V288 VanDerWaalsContact O-CG2 3.3Å; Y284-V288 WeakPolarHBondContact O-CG2 3.41Å; Y284-V288 PolarHBondContact O-N 2.91Å; Y284-L294 PolarHBondContact OH-O 3.4Å; Y284-K298 PolarHBondContact OH-NZ 2.97Å
285K81.9Confident73.9Confident97 Ų9787.2 Ų87.242%0.42246%0.46SS..Hα-helixtrans-60.4-42.3171.9-70.4165-153.9164.50111.1E276 S281 D282 V288 A289E276-K285 WeakPolarHBondContact O-CE 3.01Å; E276-K285 PolarHBondContact O-NZ 3.4Å; S281-K285 VanDerWaalsContact O-CG 3.22Å; S281-K285 WeakPolarHBondContact O-CG 3.28Å; S281-K285 PolarHBondContact O-N 3.03Å; D282-K285 PolarHBondContact O-N 2.78Å; D282-K285 WeakPolarHBondContact OD1-CD 3.19Å; D282-K285 WeakPolarHBondContact OD1-CE 3.43Å; D282-K285 IonicContact OD1-NZ 2.76Å; D282-K285 PolarHBondContact OD1-NZ 3.31Å; K285-V288 PolarHBondContact O-N 3.27Å; K285-A289 VanDerWaalsContact O-CB 3.32Å; K285-A289 WeakPolarHBondContact O-CB 3.43Å; K285-A289 PolarHBondContact O-N 3.17Å
286G82.6Confident73.9Confident31 Ų3185.9 Ų85.932%0.3247%0.466SS..Hα-helixtrans-64.1-46.4175.300000112.7D282 L283 Y284 V288 A289 I290D282-G286 PolarHBondContact O-N 3.03Å; L283-G286 PolarHBondContact O-N 3.24Å; Y284-G286 VanDerWaalsContact C-N 3.33Å; Y284-G286 PolarHBondContact O-N 2.92Å; G286-V288 PolarHBondContact O-N 3.27Å; G286-A289 PolarHBondContact O-N 3.27Å; G286-I290 WeakPolarHBondContact O-CG1 3.42Å; G286-I290 PolarHBondContact O-N 2.88Å
287L76.7Confident73.5Confident66 Ų6683.1 Ų83.135%0.34646%0.464SS..Hα-helixtrans-60.9-41.6173.8-88.2159.4000112.2L283 Y284 A289 I290 F291L283-L287 HydrophobicContact CD1-CD1 4.21Å; L283-L287 HydrophobicContact CG-CD1 4.15Å; L283-L287 WeakPolarHBondContact O-CB 3.41Å; L283-L287 PolarHBondContact O-N 2.79Å; Y284-L287 PolarHBondContact O-N 2.83Å; L287-A289 VanDerWaalsContact C-N 3.34Å; L287-I290 PolarHBondContact O-N 3.47Å; L287-F291 HydrophobicContact CD2-CD2 3.99Å; L287-F291 HydrophobicContact CD2-CE2 4.17Å; L287-F291 WeakPolarHBondContact O-CA 3.18Å; L287-F291 WeakPolarHBondContact O-CB 3.41Å; L287-F291 PolarHBondContact O-N 3.18Å
288V83.1Confident72.9Confident36 Ų3685.5 Ų85.522%0.21847%0.47CS..Hα-helixtrans-69.4-30.7175.51680000112.1Y284 K285 G286 F291 P292 L294 A295Y284-V288 HydrophobicContact CD1-CG2 4.3Å; Y284-V288 HydrophobicContact CD2-CG2 4.22Å; Y284-V288 HydrophobicContact CE1-CG2 3.88Å; Y284-V288 HydrophobicContact CE2-CG2 3.78Å; Y284-V288 HydrophobicContact CG-CG2 4.46Å; Y284-V288 WeakPolarHBondContact O-CB 3.39Å; Y284-V288 VanDerWaalsContact O-CG2 3.3Å; Y284-V288 WeakPolarHBondContact O-CG2 3.41Å; Y284-V288 PolarHBondContact O-N 2.91Å; K285-V288 PolarHBondContact O-N 3.27Å; G286-V288 PolarHBondContact O-N 3.27Å; V288-F291 CarbonylContact O-C 3.41Å; V288-P292 VanDerWaalsContact O-CA 3.28Å; V288-P292 WeakPolarHBondContact O-CA 3.41Å; V288-L294 HydrophobicContact CG2-CB 3.98Å; V288-A295 HydrophobicContact CG1-CB 4.02Å
289A77.3Confident71.5Confident85 Ų8590 Ų9070%0.70250%0.502SS*.Hα-helixtrans-72.7-26.7174.400000113.4K285 G286 L287K285-A289 VanDerWaalsContact O-CB 3.32Å; K285-A289 WeakPolarHBondContact O-CB 3.43Å; K285-A289 PolarHBondContact O-N 3.17Å; G286-A289 PolarHBondContact O-N 3.27Å; L287-A289 VanDerWaalsContact C-N 3.34Å
290I76.9Confident70Confident124 Ų12495.6 Ų95.664%0.63652%0.52SS*.Hα-helixtrans-89.8-36.5175.5-61.4164.3000111G286 L287G286-I290 WeakPolarHBondContact O-CG1 3.42Å; G286-I290 PolarHBondContact O-N 2.88Å; L287-I290 PolarHBondContact O-N 3.47Å
291F75.5Confident68.2Low115 Ų11594.4 Ų94.450%0.50453%0.525SS..  trans-130.481.9-176.4-56.4-83000110.1L287 V288 E293 L294L287-F291 HydrophobicContact CD2-CD2 3.99Å; L287-F291 HydrophobicContact CD2-CE2 4.17Å; L287-F291 WeakPolarHBondContact O-CA 3.18Å; L287-F291 WeakPolarHBondContact O-CB 3.41Å; L287-F291 PolarHBondContact O-N 3.18Å; V288-F291 CarbonylContact O-C 3.41Å; F291-E293 PolarHBondContact O-N 3.21Å; F291-L294 HydrophobicContact CB-CD1 3.48Å; F291-L294 VanDerWaalsContact CB-CD1 3.48Å; F291-L294 HydrophobicContact CG-CD1 4.27Å; F291-L294 PolarHBondContact O-N 3.14Å; F291-L294 VanDerWaalsContact O-N 3.08Å
292P77.6Confident66.3Low92 Ų92101.7 Ų101.760%0.59756%0.555SS**THydrogen-bonded Turntrans-59.9-21-175.220.9-32.5000114.5V288 L294 A295V288-P292 VanDerWaalsContact O-CA 3.28Å; V288-P292 WeakPolarHBondContact O-CA 3.41Å; P292-L294 PolarHBondContact O-N 2.94Å; P292-A295 WeakPolarHBondContact O-CB 3.44Å; P292-A295 PolarHBondContact O-N 2.88Å
293E68.3Low64.1Low119 Ų119104.2 Ų104.256%0.55657%0.573SS**Hα-helixtrans-59.3-25.7174.5-62.1-168.8171.200113.6F291 A295 S296 S327F291-E293 PolarHBondContact O-N 3.21Å; E293-A295 PolarHBondContact O-N 2.92Å; E293-S296 PolarHBondContact O-N 3.48Å; E293-S296 VanDerWaalsContact O-N 3.11Å; E293-S327 WeakPolarHBondContact OE2-CB 3.33Å; E293-S327 PolarHBondContact OE2-OG 3.23Å
294L64.9Low61.8Low69 Ų69109 Ų10936%0.36159%0.593SS.*Hα-helixtrans-69.2-6.7174.9-82.9103.5000114.4Y284 V288 F291 P292Y284-L294 PolarHBondContact OH-O 3.4Å; V288-L294 HydrophobicContact CG2-CB 3.98Å; F291-L294 HydrophobicContact CB-CD1 3.48Å; F291-L294 VanDerWaalsContact CB-CD1 3.48Å; F291-L294 HydrophobicContact CG-CD1 4.27Å; F291-L294 PolarHBondContact O-N 3.14Å; F291-L294 VanDerWaalsContact O-N 3.08Å; P292-L294 PolarHBondContact O-N 2.94Å
295A67.4Low59.5Low53 Ų53108.8 Ų108.844%0.43861%0.613SS.*Hα-helixtrans-84-35.7168.100000112.4V288 P292 E293 S297V288-A295 HydrophobicContact CG1-CB 4.02Å; P292-A295 WeakPolarHBondContact O-CB 3.44Å; P292-A295 PolarHBondContact O-N 2.88Å; E293-A295 PolarHBondContact O-N 2.92Å; A295-S297 PolarHBondContact O-N 2.89Å
296S63.3Low57.3Low96 Ų96113.3 Ų113.367%0.67164%0.636SS**Hα-helixtrans-77.1-19.5-171.2-62.60000114.6E293 K298E293-S296 PolarHBondContact O-N 3.48Å; E293-S296 VanDerWaalsContact O-N 3.11Å; S296-K298 VanDerWaalsContact C-N 3.26Å; S296-K298 PolarHBondContact O-N 3.23Å
297S56.4Low55.1Low97 Ų97117.7 Ų117.768%0.67866%0.662SS**THydrogen-bonded Turntrans-79.66.2-173.957.40000115.6A295A295-S297 PolarHBondContact O-N 2.89Å
298K50.7Low53Low150 Ų150123 Ų12365%0.65269%0.685SS**THydrogen-bonded Turntrans-90.20.8-167.4-112.1169.8-178.4164.80116.8Y284 S296Y284-K298 PolarHBondContact OH-NZ 2.97Å; S296-K298 VanDerWaalsContact C-N 3.26Å; S296-K298 PolarHBondContact O-N 3.23Å
299S42.3Very low50.8Low109 Ų109130 Ų13076%0.76272%0.715SS**SBendtrans-105.734.9-165.751.90000115.8
300K39.9Very low48.8Very low198 Ų198130 Ų13086%0.86172%0.715SS**  trans-147.536.4179.3-147.3172-178.3173.50117.9
301I33Very low46.7Very low158 Ų158129.7 Ų129.781%0.8172%0.723SS**  trans-138.582167.9-48.6179000111.4
302Q37.5Very low44.8Very low187 Ų187130.1 Ų130.187%0.87473%0.731SS**  trans-171.2157153.5-112.8148.710400111.7
303T32.3Very low42.9Very low136 Ų136132.4 Ų132.483%0.83473%0.734SS**  trans69.7107171.5-41.30000116.6
304E31.6Very low41.5Very low198 Ų198133.2 Ų133.293%0.92574%0.738SS**  trans-77.6137.7161.5-55.8168.6139.600109
305G31.3Very low40Very low68 Ų68137.9 Ų137.970%0.70176%0.757SS**  trans160.284.917200000118.6
306Q35.9Very low38.4Very low192 Ų192139.8 Ų139.890%0.89777%0.767SS**  trans64.4162.3147.5-59.5-178.2-12.200120.7
307S36.3Very low36.9Very low124 Ų124142.7 Ų142.787%0.86778%0.775SS**  trans73124.3171.865.70000118.5
308E32.2Very low35.9Very low178 Ų178147.8 Ų147.883%0.83279%0.788SS**  trans-101.6146.5170.5-52.9166.1146.400108
309Q36Very low35.2Very low183 Ų183145.1 Ų145.186%0.85579%0.794SS**  169.2126.6120.9-92.5178-2.900114.1
310A35.8Very low34.9Very low84 Ų84146.4 Ų146.469%0.69480%0.797SS**  trans42.6137137.300000123.5
311S33.9Very low34.7Very low117 Ų117142.6 Ų142.682%0.81880%0.796SS**  trans73.1148.4140.467.40000120.5
312N34.6Very low34.8Very low124 Ų124142.2 Ų142.266%0.66380%0.795SS**  cis-167.2140.7-30.9-163.835.4000109.2
313E38.2Very low34.9Very low141 Ų141141 Ų14166%0.65980%0.795SS**  trans58.2164.9159-75.9171.8-131.600117.3
314Q39Very low35Very low136 Ų136140.2 Ų140.264%0.63680%0.795SS**  cis-159.7151.5-1-128.2177.247.200108.5
315H32.9Very low35.4Very low167 Ų167135.3 Ų135.377%0.77377%0.774SS**  trans57.8146.7158.5-67.7-62.8000119.3
316S33.8Very low36Very low93 Ų93139.9 Ų139.965%0.6577%0.771SS**  cis-163.2160.224.144.60000113.2
317N32.1Very low35.9Very low156 Ų156134.5 Ų134.583%0.83476%0.755SS**  trans50.3110.5147.5-53.6-12.6000120.8
318E34.5Very low36.3Very low205 Ų205136.1 Ų136.196%0.95875%0.751SS**  trans-143.7165.2147.8-153.7158.7-140.500111.1
319A36.4Very low36.3Very low94 Ų94129.9 Ų129.978%0.77774%0.735SS**  trans-90.6157.5-158.100000115.8
320V35.6Very low36.3Very low136 Ų136125 Ų12582%0.82473%0.734SS**  trans-69.8132.2-178.7-179.30000111.8
321S36.7Very low36.6Very low118 Ų118129.5 Ų129.583%0.82574%0.74SS**  trans-149.9125.5167.2-172.60000109.6N323S321-N323 PolarHBondContact O-N 3.35Å
322D34.1Very low36.9Very low150 Ų150128 Ų12880%0.80272%0.723SS**SBendtrans-83.8103.5-166.3-71.5-59.6000113.8
323N40.3Very low37.5Very low162 Ų162125.3 Ų125.387%0.86672%0.718SS**  trans-157.424.8152-132.3-2.4000115.7S321 L325S321-N323 PolarHBondContact O-N 3.35Å; N323-L325 PolarHBondContact O-N 3Å; N323-L325 VanDerWaalsContact O-N 3.1Å
324S34.7Very low37.9Very low119 Ų119127.8 Ų127.883%0.83273%0.727SS**  trans-76.8100.3-176.4-167.80000112.6
325L38.4Very low38.4Very low94 Ų94123.5 Ų123.549%0.49271%0.707SS.*SBendtrans-147.7105.1163-148.273.2000112.4N323N323-L325 PolarHBondContact O-N 3Å; N323-L325 VanDerWaalsContact O-N 3.1Å
326Y44.8Very low39.3Very low164 Ų164122.8 Ų122.864%0.64371%0.708SS**SBendtrans83.643.7171.1-50.1-60.7000119.6K389Y326-K389 PolarHBondContact OH-NZ 3.47Å
327S33.9Very low40.4Very low79 Ų79122.8 Ų122.855%0.55270%0.704SS**  trans-101.580.4145.7-112.80000110E293E293-S327 WeakPolarHBondContact OE2-CB 3.33Å; E293-S327 PolarHBondContact OE2-OG 3.23Å
328M44.9Very low42.1Very low158 Ų158116.5 Ų116.578%0.77867%0.671SS**  trans-151.2115.5178.2-78.9-56.4-69.800114.7N332M328-N332 PolarHBondContact O-ND2 2.94Å
329G31.8Very low44Very low48 Ų48109.3 Ų109.350%0.49564%0.641SS.*  trans55.3124137.700000120.8E331 N332G329-E331 PolarHBondContact O-N 3.21Å; G329-N332 PolarHBondContact O-ND2 3.38Å; G329-N332 VanDerWaalsContact O-ND2 3.16Å
330G36.5Very low46Very low81 Ų81108.6 Ų108.684%0.83563%0.628SS**G310 helixtrans-65.81.9174.400000116.4N332G330-N332 VanDerWaalsContact C-N 3.33Å
331E40.6Very low48.2Very low178 Ų178102.7 Ų102.783%0.83259%0.593SS**G310 helixtrans-75.3-22.9179.1-66.1167.4-141.900112.6G329 A333G329-E331 PolarHBondContact O-N 3.21Å; E331-A333 PolarHBondContact O-N 3.48Å; E331-A333 VanDerWaalsContact O-N 3.09Å
332N40.9Very low50.6Low84 Ų8499.3 Ų99.345%0.44957%0.568SS.*G310 helixtrans-72.82.9-177-67.3-66.2000114.7M328 G329 G330 K334 H335M328-N332 PolarHBondContact O-ND2 2.94Å; G329-N332 PolarHBondContact O-ND2 3.38Å; G329-N332 VanDerWaalsContact O-ND2 3.16Å; G330-N332 VanDerWaalsContact C-N 3.33Å; N332-K334 PolarHBondContact O-N 3.46Å; N332-K334 VanDerWaalsContact O-N 3.17Å; N332-H335 WeakPolarHBondContact O-CA 3.43Å; N332-H335 WeakPolarHBondContact O-CB 3.3Å; N332-H335 PolarHBondContact O-N 3.27Å
333A46.9Very low53Low69 Ų6996.9 Ų96.957%0.5756%0.561SS**G310 helixtrans-58.6-30.4-176.800000114E331 H335E331-A333 PolarHBondContact O-N 3.48Å; E331-A333 VanDerWaalsContact O-N 3.09Å; A333-H335 PolarHBondContact O-N 2.84Å
334K47Very low55.2Low192 Ų19295.6 Ų95.684%0.83555%0.554SS**G310 helixtrans-61.8-23.1173-63.3176.7-176.5171.50113.1N332N332-K334 PolarHBondContact O-N 3.46Å; N332-K334 VanDerWaalsContact O-N 3.17Å
335H49.4Very low57.7Low46 Ų4693 Ų9321%0.21353%0.53CS..G310 helixtrans-92.3-13-167.9-153.865.2000114.3N332 A333 V337 Y385 S386N332-H335 WeakPolarHBondContact O-CA 3.43Å; N332-H335 WeakPolarHBondContact O-CB 3.3Å; N332-H335 PolarHBondContact O-N 3.27Å; A333-H335 PolarHBondContact O-N 2.84Å; H335-V337 PolarHBondContact O-N 2.93Å; H335-Y385 AromaticContact CE1-CD1 3.1Å; H335-Y385 WeakPolarHBondContact CE1-CD1 3.31Å; H335-Y385 AromaticContact CE1-CG 3.66Å; H335-Y385 AromaticContact ND1-CD1 4Å; H335-Y385 AromaticContact NE2-CD1 3.31Å; H335-Y385 VanDerWaalsContact NE2-CD1 3.31Å; H335-Y385 WeakPolarHBondContact NE2-CD1 3.39Å; H335-Y385 AromaticContact NE2-CE1 3.87Å; H335-Y385 AromaticContact NE2-CG 3.98Å; H335-S386 VanDerWaalsContact CE1-CA 3.45Å; H335-S386 WeakPolarHBondContact CE1-CA 3.39Å; H335-S386 PolarHBondContact CE1-N 3.16Å; H335-S386 WeakPolarHBondContact NE2-CA 3.42Å; H335-S386 PolarHBondContact NE2-N 3.37Å; H335-S386 WeakPolarHBondContact O-CB 3.34Å
336L51.8Low60Low152 Ų15292.1 Ų92.180%0.79652%0.523SS*.G310 helixtrans-80.8-6.6177.3-56.4179.5000112.6
337V57.4Low62.2Low94 Ų9487.3 Ų87.357%0.5751%0.512SS*.SBendtrans-95.1117.9172.2-176.60000108.9H335 V339 S386H335-V337 PolarHBondContact O-N 2.93Å; V337-V339 HydrophobicContact CG1-CG2 4.44Å; V337-V339 PolarHBondContact O-N 3.35Å; V337-V339 VanDerWaalsContact O-N 3.16Å; V337-S386 PolarHBondContact O-OG 3.13Å
338V68.4Low65Low24 Ų2485.3 Ų85.315%0.14550%0.497CS..  trans-78.897.3173.1179.60000108.7Y387 I423 F425 P426V338-Y387 HydrophobicContact CG1-CD2 3.85Å; V338-Y387 HydrophobicContact CG1-CG 4.49Å; V338-I423 HydrophobicContact CG2-CG2 3.96Å; V338-F425 HydrophobicContact CG1-CD1 3.97Å; V338-F425 HydrophobicContact CG1-CE1 4.28Å; V338-P426 WeakPolarHBondContact O-CG 3.48Å
339V73.8Confident67.3Low53 Ų5377.8 Ų77.832%0.32146%0.459SS..PPolyproline II helixtrans-76.6123.8173.3-177.60000108.5V337 Y384V337-V339 HydrophobicContact CG1-CG2 4.44Å; V337-V339 PolarHBondContact O-N 3.35Å; V337-V339 VanDerWaalsContact O-N 3.16Å; V339-Y384 HydrophobicContact CG1-CD1 4.42Å; V339-Y384 HydrophobicContact CG1-CE1 4.02Å
340P78Confident70.2Confident79 Ų7977.1 Ų77.151%0.51345%0.445SS..PPolyproline II helixtrans-65.7126.6176.626.5-33.1000110
341P82.4Confident72.9Confident12 Ų1280.6 Ų80.68%0.07843%0.432CS..PPolyproline II helixtrans-73.2152.7179.629-34.7000112L345 Q346 I349 Y384 Y387P341-L345 HydrophobicContact CB-CB 4.45Å; P341-Q346 HydrophobicContact CG-CB 3.89Å; P341-Q346 HydrophobicContact CG-CG 4.01Å; P341-I349 HydrophobicContact CB-CD1 3.47Å; P341-I349 VanDerWaalsContact CB-CD1 3.47Å; P341-I349 HydrophobicContact CG-CD1 3.77Å; P341-Y384 HydrophobicContact CB-CD1 3.87Å; P341-Y384 HydrophobicContact CB-CE1 4.29Å; P341-Y384 HydrophobicContact CB-CG 4.24Å; P341-Y387 HydrophobicContact CG-CD1 3.77Å; P341-Y387 HydrophobicContact CG-CD2 4.09Å; P341-Y387 HydrophobicContact CG-CE1 3.79Å; P341-Y387 HydrophobicContact CG-CE2 4.1Å; P341-Y387 HydrophobicContact CG-CG 3.93Å
342P86.1Confident75.4Confident47 Ų4772.7 Ų72.731%0.30540%0.396SS..PPolyproline II helixtrans-51.4148.4169.6-28.234.3000112.9D344 L345 Q346 Y384P342-D344 PolarHBondContact O-N 3.09Å; P342-D344 VanDerWaalsContact O-N 3.09Å; P342-L345 HydrophobicContact CG-CD1 4.22Å; P342-L345 PolarHBondContact O-N 3.03Å; P342-Q346 PolarHBondContact O-N 3.41Å; P342-Y384 VanDerWaalsContact CD-CZ 3.45Å; P342-Y384 WeakPolarHBondContact CD-OH 3.38Å
343P84.1Confident77.9Confident100 Ų10068.7 Ų68.765%0.64937%0.374SS*.THydrogen-bonded Turntrans-62.5-20.6-174.825.3-35.1000114.2P347P343-P347 WeakPolarHBondContact O-CD 3.45Å
344D86.8Confident80.1Confident135 Ų13568.4 Ų68.472%0.72236%0.361SS*.THydrogen-bonded Turntrans-79.7-30.7174-52.3-54.2000112.7P342P342-D344 PolarHBondContact O-N 3.09Å; P342-D344 VanDerWaalsContact O-N 3.09Å
345L86.8Confident82.3Confident64 Ų6465 Ų6534%0.33534%0.344SS..THydrogen-bonded Turntrans-86-36.5179.4-68.5-179.8000111.7P341 P342 T348 I349 Y384P341-L345 HydrophobicContact CB-CB 4.45Å; P342-L345 HydrophobicContact CG-CD1 4.22Å; P342-L345 PolarHBondContact O-N 3.03Å; L345-T348 WeakPolarHBondContact O-CA 3.45Å; L345-T348 WeakPolarHBondContact O-CB 3.46Å; L345-T348 PolarHBondContact O-N 3.36Å; L345-I349 HydrophobicContact CB-CD1 4.2Å; L345-I349 WeakPolarHBondContact O-CG1 3.24Å; L345-I349 PolarHBondContact O-N 3.47Å; L345-Y384 HydrophobicContact CD1-CD2 4.2Å; L345-Y384 HydrophobicContact CD1-CE2 3.95Å
346Q87.9Confident84.4Confident76 Ų7662.9 Ų62.936%0.35533%0.334SS..Hα-helixtrans-51.3-48.2-176.7-169.4-174.4-12.400113.7P341 P342 T348 I349 D350 Y387P341-Q346 HydrophobicContact CG-CB 3.89Å; P341-Q346 HydrophobicContact CG-CG 4.01Å; P342-Q346 PolarHBondContact O-N 3.41Å; Q346-T348 PolarHBondContact O-N 2.87Å; Q346-I349 PolarHBondContact O-N 3.17Å; Q346-D350 WeakPolarHBondContact O-CB 3.19Å; Q346-D350 PolarHBondContact O-N 3.09Å; Q346-Y387 HydrophobicContact CG-CE1 4.27Å; Q346-Y387 WeakPolarHBondContact CG-OH 3.38Å; Q346-Y387 PolarHBondContact NE2-OH 3.02Å
347P91.8Very high86.3Confident63 Ų6356.3 Ų56.341%0.40930%0.302SS..Hα-helixtrans-66.9-25.3179-19.233.1000112.7P343 R351P343-P347 WeakPolarHBondContact O-CD 3.45Å; P347-R351 WeakPolarHBondContact O-CB 3.3Å; P347-R351 VanDerWaalsContact O-CG 3.24Å; P347-R351 WeakPolarHBondContact O-CG 3.43Å; P347-R351 PolarHBondContact O-N 3.33Å; P347-R351 VanDerWaalsContact O-N 3.17Å; P347-R351 PolarHBondContact O-NE 3.36Å
348T92Very high87.9Confident36 Ų3659.2 Ų59.222%0.22130%0.303CS..Hα-helixtrans-80.2-36.2178.2-56.30000111.2L345 Q346 R351 L352 F375 F377L345-T348 WeakPolarHBondContact O-CA 3.45Å; L345-T348 WeakPolarHBondContact O-CB 3.46Å; L345-T348 PolarHBondContact O-N 3.36Å; Q346-T348 PolarHBondContact O-N 2.87Å; T348-R351 PolarHBondContact OG1-NH2 2.93Å; T348-R351 VanDerWaalsContact OG1-NH2 3.12Å; T348-L352 WeakPolarHBondContact O-CB 3.18Å; T348-L352 PolarHBondContact O-N 2.8Å; T348-F375 HydrophobicContact CG2-CE1 4.07Å; T348-F377 HydrophobicContact CG2-CE1 4.18Å; T348-F377 HydrophobicContact CG2-CZ 4.33Å
349I93Very high88.9Confident0 Ų062.2 Ų62.20%032%0.318CS..Hα-helixtrans-67.3-48.1171.4-59.5159.9000110.4P341 L345 Q346 L352 A353 F377 Y387 Y388P341-I349 HydrophobicContact CB-CD1 3.47Å; P341-I349 VanDerWaalsContact CB-CD1 3.47Å; P341-I349 HydrophobicContact CG-CD1 3.77Å; L345-I349 HydrophobicContact CB-CD1 4.2Å; L345-I349 WeakPolarHBondContact O-CG1 3.24Å; L345-I349 PolarHBondContact O-N 3.47Å; Q346-I349 PolarHBondContact O-N 3.17Å; I349-L352 PolarHBondContact O-N 3.5Å; I349-A353 WeakPolarHBondContact O-CB 3.49Å; I349-A353 PolarHBondContact O-N 2.69Å; I349-F377 HydrophobicContact CB-CD2 4.41Å; I349-F377 HydrophobicContact CB-CE2 4.07Å; I349-F377 HydrophobicContact CB-CZ 4.2Å; I349-F377 HydrophobicContact CD1-CD1 4.48Å; I349-F377 HydrophobicContact CD1-CG 4.4Å; I349-F377 HydrophobicContact CG1-CD1 3.75Å; I349-F377 HydrophobicContact CG1-CD2 3.73Å; I349-F377 HydrophobicContact CG1-CE1 3.72Å; I349-F377 HydrophobicContact CG1-CE2 3.7Å; I349-F377 HydrophobicContact CG1-CG 3.75Å; I349-F377 HydrophobicContact CG1-CZ 3.7Å; I349-F377 HydrophobicContact CG2-CD2 4.25Å; I349-F377 HydrophobicContact CG2-CE2 4.1Å; I349-Y387 HydrophobicContact CD1-CD1 4.47Å; I349-Y387 HydrophobicContact CG2-CD1 3.81Å; I349-Y387 HydrophobicContact CG2-CE1 4.21Å; I349-Y388 HydrophobicContact CG2-CD2 4.25Å
350D92.5Very high89.6Confident34 Ų3461 Ų6118%0.18232%0.316CS..Hα-helixtrans-61.4-48.5-178.6-81.3-2.6000112Q346 L352 A353 E354 K391 F395Q346-D350 WeakPolarHBondContact O-CB 3.19Å; Q346-D350 PolarHBondContact O-N 3.09Å; D350-L352 VanDerWaalsContact C-N 3.31Å; D350-L352 PolarHBondContact O-N 2.82Å; D350-A353 PolarHBondContact O-N 2.81Å; D350-E354 WeakPolarHBondContact O-CB 3.18Å; D350-E354 PolarHBondContact O-N 2.84Å; D350-K391 WeakPolarHBondContact OD1-CD 3.22Å; D350-K391 WeakPolarHBondContact OD1-CE 3.23Å; D350-K391 WeakPolarHBondContact OD1-CG 3.4Å; D350-K391 IonicContact OD1-NZ 3.2Å; D350-K391 PolarHBondContact OD1-NZ 3.48Å; D350-K391 IonicContact OD2-NZ 2.67Å; D350-K391 PolarHBondContact OD2-NZ 3.16Å; D350-F395 WeakPolarHBondContact O-CE2 3.29Å
351R93.1Very high90Very high154 Ų15463.3 Ų63.358%0.58132%0.315SS*.Hα-helixtrans-61.5-36.8176.2-75.6175.7-65.7-1740.7112.9P347 T348 Y355P347-R351 WeakPolarHBondContact O-CB 3.3Å; P347-R351 VanDerWaalsContact O-CG 3.24Å; P347-R351 WeakPolarHBondContact O-CG 3.43Å; P347-R351 PolarHBondContact O-N 3.33Å; P347-R351 VanDerWaalsContact O-N 3.17Å; P347-R351 PolarHBondContact O-NE 3.36Å; T348-R351 PolarHBondContact OG1-NH2 2.93Å; T348-R351 VanDerWaalsContact OG1-NH2 3.12Å; R351-Y355 PolarHBondContact O-N 3.38Å
352L93.2Very high90.3Very high12 Ų1268.7 Ų68.76%0.06334%0.339CS..Hα-helixtrans-69.8-44.7176.3-169.883.4000110.7T348 I349 D350 E354 Y355 V356 F363 V367 F375 F377 I378 Y388T348-L352 WeakPolarHBondContact O-CB 3.18Å; T348-L352 PolarHBondContact O-N 2.8Å; I349-L352 PolarHBondContact O-N 3.5Å; D350-L352 VanDerWaalsContact C-N 3.31Å; D350-L352 PolarHBondContact O-N 2.82Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-E354 PolarHBondContact O-N 2.94Å; L352-Y355 PolarHBondContact O-N 3.19Å; L352-Y355 VanDerWaalsContact O-N 3.15Å; L352-V356 HydrophobicContact CG-CG2 4.25Å; L352-V356 WeakPolarHBondContact O-CB 3.44Å; L352-V356 VanDerWaalsContact O-CG2 3.27Å; L352-V356 WeakPolarHBondContact O-CG2 3.38Å; L352-V356 PolarHBondContact O-N 3.26Å; L352-F363 HydrophobicContact CD1-CE1 3.88Å; L352-V367 HydrophobicContact CD1-CG1 4.43Å; L352-V367 HydrophobicContact CD1-CG2 4.39Å; L352-F375 HydrophobicContact CD1-CD1 4.29Å; L352-F375 HydrophobicContact CD1-CE1 4.13Å; L352-F375 HydrophobicContact CD2-CD1 4.39Å; L352-F377 HydrophobicContact CB-CE2 4.39Å; L352-F377 HydrophobicContact CB-CZ 4.37Å; L352-F377 HydrophobicContact CD2-CE2 3.61Å; L352-F377 HydrophobicContact CD2-CZ 4.02Å; L352-I378 HydrophobicContact CD2-CD1 3.42Å; L352-I378 VanDerWaalsContact CD2-CD1 3.42Å; L352-I378 HydrophobicContact CD2-CG1 3.63Å; L352-Y388 HydrophobicContact CD2-CD2 4.24Å; L352-Y388 HydrophobicContact CD2-CE2 3.71Å; L352-Y388 HydrophobicContact CG-CE2 4.33Å
353A93.4Very high90.6Very high0 Ų068.9 Ų68.90%034%0.335CS..Hα-helixtrans-63.5-38.6-179.500000112.4I349 D350 V356 A357 Y388 K391 V392 F395I349-A353 WeakPolarHBondContact O-CB 3.49Å; I349-A353 PolarHBondContact O-N 2.69Å; D350-A353 PolarHBondContact O-N 2.81Å; A353-V356 PolarHBondContact O-N 3.43Å; A353-A357 VanDerWaalsContact O-CB 3.31Å; A353-A357 WeakPolarHBondContact O-CB 3.44Å; A353-A357 PolarHBondContact O-N 3.17Å; A353-Y388 HydrophobicContact CB-CD2 4.3Å; A353-Y388 HydrophobicContact CB-CE2 4.43Å; A353-K391 HydrophobicContact CB-CB 3.56Å; A353-V392 HydrophobicContact CB-CG2 3.76Å; A353-F395 HydrophobicContact CB-CD2 3.98Å; A353-F395 HydrophobicContact CB-CE2 3.96Å
354E92.8Very high91Very high63 Ų6364.7 Ų64.729%0.29431%0.307SS..Hα-helixtrans-60.2-44.9171.3-172.7-170.7174.500111.2D350 L352 A357 R358 F395D350-E354 WeakPolarHBondContact O-CB 3.18Å; D350-E354 PolarHBondContact O-N 2.84Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-E354 PolarHBondContact O-N 2.94Å; E354-A357 PolarHBondContact O-N 2.98Å; E354-R358 PolarHBondContact O-N 3.3Å; E354-R358 IonicContact OE1-CZ 3.16Å; E354-R358 IonicContact OE1-NH1 2.76Å; E354-R358 PolarHBondContact OE1-NH1 3.16Å; E354-R358 IonicContact OE1-NH2 3.27Å; E354-R358 PolarHBondContact OE1-NH2 3.46Å; E354-F395 HydrophobicContact CB-CD2 4.15Å; E354-F395 HydrophobicContact CB-CE1 4.28Å; E354-F395 HydrophobicContact CB-CE2 3.88Å; E354-F395 HydrophobicContact CB-CG 4.48Å; E354-F395 HydrophobicContact CB-CZ 3.94Å; E354-F395 HydrophobicContact CG-CE1 4.37Å; E354-F395 HydrophobicContact CG-CZ 4.49Å
355Y93Very high91.1Very high120 Ų12061 Ų6147%0.47129%0.287SS..Hα-helixtrans-69.7-37.1179.7-158.1-83.9000112.6R351 L352 N359 F363R351-Y355 PolarHBondContact O-N 3.38Å; L352-Y355 PolarHBondContact O-N 3.19Å; L352-Y355 VanDerWaalsContact O-N 3.15Å; Y355-N359 HydrophobicContact CD1-CB 4.47Å; Y355-N359 VanDerWaalsContact CD1-ND2 3.26Å; Y355-N359 WeakPolarHBondContact CD1-ND2 3.36Å; Y355-N359 HydrophobicContact CE1-CB 4.37Å; Y355-N359 WeakPolarHBondContact CE1-ND2 3.39Å; Y355-N359 WeakPolarHBondContact O-CB 3.13Å; Y355-N359 PolarHBondContact O-N 2.86Å; Y355-N359 PolarHBondContact O-ND2 3.08Å; Y355-F363 AromaticContact CD1-CD1 3.62Å; Y355-F363 HydrophobicContact CD1-CD1 3.62Å; Y355-F363 AromaticContact CD1-CD2 4Å; Y355-F363 HydrophobicContact CD1-CD2 4Å; Y355-F363 AromaticContact CD1-CE1 3.4Å; Y355-F363 HydrophobicContact CD1-CE1 3.4Å; Y355-F363 VanDerWaalsContact CD1-CE1 3.4Å; Y355-F363 AromaticContact CD1-CE2 3.81Å; Y355-F363 HydrophobicContact CD1-CE2 3.81Å; Y355-F363 AromaticContact CD1-CG 3.9Å; Y355-F363 HydrophobicContact CD1-CG 3.9Å; Y355-F363 AromaticContact CD1-CZ 3.51Å; Y355-F363 HydrophobicContact CD1-CZ 3.51Å; Y355-F363 HydrophobicContact CE1-CD1 4.2Å; Y355-F363 AromaticContact CE1-CD2 3.7Å; Y355-F363 HydrophobicContact CE1-CD2 3.7Å; Y355-F363 HydrophobicContact CE1-CE1 4.01Å; Y355-F363 AromaticContact CE1-CE2 3.48Å; Y355-F363 HydrophobicContact CE1-CE2 3.48Å; Y355-F363 VanDerWaalsContact CE1-CE2 3.48Å; Y355-F363 HydrophobicContact CE1-CG 4.05Å; Y355-F363 AromaticContact CE1-CZ 3.64Å; Y355-F363 HydrophobicContact CE1-CZ 3.64Å; Y355-F363 HydrophobicContact CG-CE1 4.27Å; Y355-F363 HydrophobicContact CG-CZ 4.46Å
356V93.7Very high91.3Very high2 Ų262 Ų621%0.01229%0.292CS..Hα-helixtrans-68.7-38.6174.2171.70000111.3L352 A353 R358 G360 F363 E364 Y388 V392L352-V356 HydrophobicContact CG-CG2 4.25Å; L352-V356 WeakPolarHBondContact O-CB 3.44Å; L352-V356 VanDerWaalsContact O-CG2 3.27Å; L352-V356 WeakPolarHBondContact O-CG2 3.38Å; L352-V356 PolarHBondContact O-N 3.26Å; A353-V356 PolarHBondContact O-N 3.43Å; V356-R358 VanDerWaalsContact C-N 3.32Å; V356-R358 PolarHBondContact O-N 3.48Å; V356-G360 WeakPolarHBondContact O-CA 3.41Å; V356-G360 PolarHBondContact O-N 3.37Å; V356-F363 HydrophobicContact CG2-CD1 3.75Å; V356-F363 HydrophobicContact CG2-CE1 4.4Å; V356-E364 HydrophobicContact CG1-CB 4.19Å; V356-E364 HydrophobicContact CG2-CB 4.41Å; V356-Y388 HydrophobicContact CG2-CE2 4.41Å; V356-Y388 WeakPolarHBondContact CG2-OH 3.28Å; V356-V392 HydrophobicContact CB-CG2 4.12Å; V356-V392 HydrophobicContact CG1-CG1 3.93Å; V356-V392 HydrophobicContact CG1-CG2 3.94Å
357A91.6Very high91.3Very high15 Ų1558.9 Ų58.912%0.12428%0.278CS..Hα-helixtrans-59.3-43.3176.100000111.6A353 E354 F395 Q396A353-A357 VanDerWaalsContact O-CB 3.31Å; A353-A357 WeakPolarHBondContact O-CB 3.44Å; A353-A357 PolarHBondContact O-N 3.17Å; E354-A357 PolarHBondContact O-N 2.98Å; A357-F395 HydrophobicContact CB-CB 3.52Å; A357-Q396 HydrophobicContact CB-CG 3.87Å
358R90.6Very high91.2Very high154 Ų15458.7 Ų58.758%0.58127%0.269SS*.Hα-helixtrans-76.6-35.6179.4-67-173.8-174.1125.812.4115E354 V356E354-R358 PolarHBondContact O-N 3.3Å; E354-R358 IonicContact OE1-CZ 3.16Å; E354-R358 IonicContact OE1-NH1 2.76Å; E354-R358 PolarHBondContact OE1-NH1 3.16Å; E354-R358 IonicContact OE1-NH2 3.27Å; E354-R358 PolarHBondContact OE1-NH2 3.46Å; V356-R358 VanDerWaalsContact C-N 3.32Å; V356-R358 PolarHBondContact O-N 3.48Å
359N90.4Very high91.2Very high87 Ų8762.2 Ų62.247%0.46529%0.291SS..Hα-helixtrans-99.1-6.8-175.1-66-92.5000114Y355 F363Y355-N359 HydrophobicContact CD1-CB 4.47Å; Y355-N359 VanDerWaalsContact CD1-ND2 3.26Å; Y355-N359 WeakPolarHBondContact CD1-ND2 3.36Å; Y355-N359 HydrophobicContact CE1-CB 4.37Å; Y355-N359 WeakPolarHBondContact CE1-ND2 3.39Å; Y355-N359 WeakPolarHBondContact O-CB 3.13Å; Y355-N359 PolarHBondContact O-N 2.86Å; Y355-N359 PolarHBondContact O-ND2 3.08Å; N359-F363 HydrophobicContact CB-CB 4.03Å
360G88Confident91Very high27 Ų2769.1 Ų69.128%0.27832%0.321SS..  trans78.6-176.1-179.900000114.6V356 E362 F363V356-G360 WeakPolarHBondContact O-CA 3.41Å; V356-G360 PolarHBondContact O-N 3.37Å; G360-E362 VanDerWaalsContact C-N 3.29Å; G360-E362 PolarHBondContact O-N 2.95Å; G360-F363 PolarHBondContact O-N 2.77Å
361R87.1Confident90.5Very high129 Ų12977.4 Ų77.449%0.48735%0.349SS..Hα-helixtrans-68.6-22.8-169.8-167.3173.9-69.8176.72.5113.7F363 E364 N365R361-F363 VanDerWaalsContact C-N 3.25Å; R361-F363 PolarHBondContact O-N 2.69Å; R361-E364 WeakPolarHBondContact O-CA 3.42Å; R361-E364 WeakPolarHBondContact O-CB 3.43Å; R361-E364 PolarHBondContact O-N 2.82Å; R361-N365 PolarHBondContact O-N 2.75Å
362E89.2Confident90.3Very high124 Ų12472 Ų7258%0.57933%0.332SS*.Hα-helixtrans-62.8-33.1176.7-56.9-36.9121.900112.8G360 N365 I366G360-E362 VanDerWaalsContact C-N 3.29Å; G360-E362 PolarHBondContact O-N 2.95Å; E362-N365 PolarHBondContact O-N 2.92Å; E362-N365 PolarHBondContact OE2-ND2 3.49Å; E362-I366 WeakPolarHBondContact O-CD1 3.34Å; E362-I366 VanDerWaalsContact O-CG1 3.26Å; E362-I366 WeakPolarHBondContact O-CG1 3.24Å; E362-I366 PolarHBondContact O-N 3.44Å
363F91.6Very high90Very high51 Ų5176.5 Ų76.522%0.22436%0.362CS..Hα-helixtrans-68.1-37.9173.2-172-97.8000112.2L352 Y355 V356 N359 G360 R361 N365 I366 V367L352-F363 HydrophobicContact CD1-CE1 3.88Å; Y355-F363 AromaticContact CD1-CD1 3.62Å; Y355-F363 HydrophobicContact CD1-CD1 3.62Å; Y355-F363 AromaticContact CD1-CD2 4Å; Y355-F363 HydrophobicContact CD1-CD2 4Å; Y355-F363 AromaticContact CD1-CE1 3.4Å; Y355-F363 HydrophobicContact CD1-CE1 3.4Å; Y355-F363 VanDerWaalsContact CD1-CE1 3.4Å; Y355-F363 AromaticContact CD1-CE2 3.81Å; Y355-F363 HydrophobicContact CD1-CE2 3.81Å; Y355-F363 AromaticContact CD1-CG 3.9Å; Y355-F363 HydrophobicContact CD1-CG 3.9Å; Y355-F363 AromaticContact CD1-CZ 3.51Å; Y355-F363 HydrophobicContact CD1-CZ 3.51Å; Y355-F363 HydrophobicContact CE1-CD1 4.2Å; Y355-F363 AromaticContact CE1-CD2 3.7Å; Y355-F363 HydrophobicContact CE1-CD2 3.7Å; Y355-F363 HydrophobicContact CE1-CE1 4.01Å; Y355-F363 AromaticContact CE1-CE2 3.48Å; Y355-F363 HydrophobicContact CE1-CE2 3.48Å; Y355-F363 VanDerWaalsContact CE1-CE2 3.48Å; Y355-F363 HydrophobicContact CE1-CG 4.05Å; Y355-F363 AromaticContact CE1-CZ 3.64Å; Y355-F363 HydrophobicContact CE1-CZ 3.64Å; Y355-F363 HydrophobicContact CG-CE1 4.27Å; Y355-F363 HydrophobicContact CG-CZ 4.46Å; V356-F363 HydrophobicContact CG2-CD1 3.75Å; V356-F363 HydrophobicContact CG2-CE1 4.4Å; N359-F363 HydrophobicContact CB-CB 4.03Å; G360-F363 PolarHBondContact O-N 2.77Å; R361-F363 VanDerWaalsContact C-N 3.25Å; R361-F363 PolarHBondContact O-N 2.69Å; F363-N365 VanDerWaalsContact C-N 3.33Å; F363-N365 PolarHBondContact O-N 3.43Å; F363-I366 PolarHBondContact O-N 3.31Å; F363-V367 HydrophobicContact CD1-CG2 4.06Å; F363-V367 HydrophobicContact CE1-CG2 3.55Å; F363-V367 HydrophobicContact CE2-CG2 4.17Å; F363-V367 HydrophobicContact CZ-CG2 3.61Å; F363-V367 WeakPolarHBondContact O-CG2 3.45Å; F363-V367 PolarHBondContact O-N 2.91Å
364E91.7Very high89.6Confident12 Ų1284.5 Ų84.56%0.05639%0.392CS..Hα-helixtrans-59.9-44171.5-178.1-179.4125.400111V356 R361 I366 V367 R368 I378 Y388V356-E364 HydrophobicContact CG1-CB 4.19Å; V356-E364 HydrophobicContact CG2-CB 4.41Å; R361-E364 WeakPolarHBondContact O-CA 3.42Å; R361-E364 WeakPolarHBondContact O-CB 3.43Å; R361-E364 PolarHBondContact O-N 2.82Å; E364-I366 PolarHBondContact O-N 3.31Å; E364-V367 PolarHBondContact O-N 2.79Å; E364-R368 WeakPolarHBondContact O-CB 3.44Å; E364-R368 PolarHBondContact O-N 2.77Å; E364-R368 IonicContact OE1-CZ 3.21Å; E364-R368 IonicContact OE1-NH1 3.36Å; E364-R368 PolarHBondContact OE1-NH1 3.29Å; E364-R368 IonicContact OE1-NH2 2.9Å; E364-R368 PolarHBondContact OE1-NH2 3Å; E364-I378 HydrophobicContact CG-CG2 3.78Å; E364-Y388 WeakPolarHBondContact CG-OH 3.42Å; E364-Y388 WeakPolarHBondContact OE2-CE1 3.36Å; E364-Y388 PolarHBondContact OE2-OH 3.2Å
365N89.9Confident89.4Confident57 Ų5784.1 Ų84.131%0.30539%0.39SS..Hα-helixtrans-61.5-43.2176.7-67.8-23.3000111.9R361 E362 F363 T369R361-N365 PolarHBondContact O-N 2.75Å; E362-N365 PolarHBondContact O-N 2.92Å; E362-N365 PolarHBondContact OE2-ND2 3.49Å; F363-N365 VanDerWaalsContact C-N 3.33Å; F363-N365 PolarHBondContact O-N 3.43Å; N365-T369 VanDerWaalsContact O-CB 3.31Å; N365-T369 WeakPolarHBondContact O-CB 3.47Å; N365-T369 PolarHBondContact O-N 2.94Å; N365-T369 PolarHBondContact O-OG1 3.26Å
366I89.9Confident89.2Confident87 Ų8781 Ų8145%0.44639%0.386SS..Hα-helixtrans-62.9-47176.9-70162.7000111.5E362 F363 E364 T369 K370E362-I366 WeakPolarHBondContact O-CD1 3.34Å; E362-I366 VanDerWaalsContact O-CG1 3.26Å; E362-I366 WeakPolarHBondContact O-CG1 3.24Å; E362-I366 PolarHBondContact O-N 3.44Å; F363-I366 PolarHBondContact O-N 3.31Å; E364-I366 PolarHBondContact O-N 3.31Å; I366-T369 PolarHBondContact O-N 3.17Å; I366-K370 WeakPolarHBondContact O-CG 3.12Å; I366-K370 PolarHBondContact O-N 3.22Å; I366-K370 VanDerWaalsContact O-N 3.14Å
367V89.3Confident89Confident9 Ų981 Ų816%0.05539%0.386CS..Hα-helixtrans-72.1-36.1-179.5-173.20000111.5L352 F363 E364 T369 K370 F375 I378L352-V367 HydrophobicContact CD1-CG1 4.43Å; L352-V367 HydrophobicContact CD1-CG2 4.39Å; F363-V367 HydrophobicContact CD1-CG2 4.06Å; F363-V367 HydrophobicContact CE1-CG2 3.55Å; F363-V367 HydrophobicContact CE2-CG2 4.17Å; F363-V367 HydrophobicContact CZ-CG2 3.61Å; F363-V367 WeakPolarHBondContact O-CG2 3.45Å; F363-V367 PolarHBondContact O-N 2.91Å; E364-V367 PolarHBondContact O-N 2.79Å; V367-T369 VanDerWaalsContact C-N 3.31Å; V367-T369 PolarHBondContact O-N 3.38Å; V367-K370 PolarHBondContact O-N 3.12Å; V367-F375 HydrophobicContact CG1-CB 3.81Å; V367-F375 HydrophobicContact CG1-CD1 4.45Å; V367-F375 HydrophobicContact CG1-CD2 3.39Å; V367-F375 HydrophobicContact CG1-CE2 4.07Å; V367-F375 HydrophobicContact CG1-CG 3.63Å; V367-I378 HydrophobicContact CB-CD1 3.74Å; V367-I378 HydrophobicContact CG1-CD1 3.38Å
368R89.9Confident88.9Confident59 Ų5980.4 Ų80.422%0.22338%0.38CS..Hα-helixtrans-58.8-41.4170.5-178.7175.3-75.11252.1111.6E364 R371 I378 M379E364-R368 WeakPolarHBondContact O-CB 3.44Å; E364-R368 PolarHBondContact O-N 2.77Å; E364-R368 IonicContact OE1-CZ 3.21Å; E364-R368 IonicContact OE1-NH1 3.36Å; E364-R368 PolarHBondContact OE1-NH1 3.29Å; E364-R368 IonicContact OE1-NH2 2.9Å; E364-R368 PolarHBondContact OE1-NH2 3Å; R368-R371 WeakPolarHBondContact O-CG 3.31Å; R368-R371 PolarHBondContact O-N 3.24Å; R368-I378 HydrophobicContact CB-CG2 4.01Å; R368-I378 PolarHBondContact NE-O 3.45Å; R368-I378 PolarHBondContact NH2-O 3.28Å; R368-M379 HydrophobicContact CG-CE 3.93Å; R368-M379 HydrophobicContact CG-SD 3.91Å; R368-M379 WeakPolarHBondContact O-CE 3.34Å
369T90.4Very high88.7Confident111 Ų11175.7 Ų75.768%0.68137%0.365SS*.Hα-helixtrans-67-35.5179.4-59.70000112.3N365 I366 V367 R371N365-T369 VanDerWaalsContact O-CB 3.31Å; N365-T369 WeakPolarHBondContact O-CB 3.47Å; N365-T369 PolarHBondContact O-N 2.94Å; N365-T369 PolarHBondContact O-OG1 3.26Å; I366-T369 PolarHBondContact O-N 3.17Å; V367-T369 VanDerWaalsContact C-N 3.31Å; V367-T369 PolarHBondContact O-N 3.38Å; T369-R371 PolarHBondContact O-N 2.94Å
370K89.1Confident88.4Confident144 Ų14479.1 Ų79.163%0.62638%0.376SS*.Hα-helixtrans-64.9-19.9176.4-72.8175.5-178.9-177.20114.1I366 V367 D372I366-K370 WeakPolarHBondContact O-CG 3.12Å; I366-K370 PolarHBondContact O-N 3.22Å; I366-K370 VanDerWaalsContact O-N 3.14Å; V367-K370 PolarHBondContact O-N 3.12Å; K370-D372 PolarHBondContact O-N 3.46Å
371R82.9Confident88.3Confident208 Ų20884.7 Ų84.779%0.78540%0.4SS*.THydrogen-bonded Turntrans50.228.8178.7-64.7-176.1176.7-173.4-0.8114.7R368 T369 M379R368-R371 WeakPolarHBondContact O-CG 3.31Å; R368-R371 PolarHBondContact O-N 3.24Å; T369-R371 PolarHBondContact O-N 2.94Å; R371-M379 HydrophobicContact CG-CE 4.08Å
372D88.6Confident88.3Confident42 Ų4280 Ų8023%0.22539%0.385CS..  trans-63.8126.9-178.5-140.988.8000109.7K370 R374 F375 S376K370-D372 PolarHBondContact O-N 3.46Å; D372-R374 PolarHBondContact O-N 3.44Å; D372-R374 VanDerWaalsContact O-N 3.13Å; D372-R374 IonicContact OD1-NH2 2.91Å; D372-R374 PolarHBondContact OD1-NH2 2.93Å; D372-R374 IonicContact OD2-CZ 3.79Å; D372-R374 IonicContact OD2-NE 3.66Å; D372-R374 PolarHBondContact OD2-NE 3.08Å; D372-R374 IonicContact OD2-NH2 3.24Å; D372-R374 PolarHBondContact OD2-NH2 3.36Å; D372-F375 HydrophobicContact CB-CD2 3.71Å; D372-F375 HydrophobicContact CB-CE2 4.43Å; D372-F375 CarbonylContact O-C 3.53Å; D372-F375 WeakPolarHBondContact O-CA 3.35Å; D372-F375 PolarHBondContact O-N 2.96Å; D372-S376 PolarHBondContact O-N 2.87Å
373P86.3Confident88.2Confident106 Ų10677.6 Ų77.669%0.68838%0.38SS*.G310 helixtrans-62.9-27.3-173.523.6-33.5000112.8F375 S376P373-F375 PolarHBondContact O-N 3.12Å; P373-S376 WeakPolarHBondContact O-CB 3.29Å; P373-S376 PolarHBondContact O-N 3.46Å; P373-S376 PolarHBondContact O-OG 3.38Å
374R85.1Confident88Confident168 Ų16877.9 Ų77.963%0.63438%0.379SS*.G310 helixtrans-59.4-22.8171.9-65.3178.7-69.3-162.1-5113.6D372 F377D372-R374 PolarHBondContact O-N 3.44Å; D372-R374 VanDerWaalsContact O-N 3.13Å; D372-R374 IonicContact OD1-NH2 2.91Å; D372-R374 PolarHBondContact OD1-NH2 2.93Å; D372-R374 IonicContact OD2-CZ 3.79Å; D372-R374 IonicContact OD2-NE 3.66Å; D372-R374 PolarHBondContact OD2-NE 3.08Å; D372-R374 IonicContact OD2-NH2 3.24Å; D372-R374 PolarHBondContact OD2-NH2 3.36Å; R374-F377 VanDerWaalsContact O-CE1 3.25Å; R374-F377 WeakPolarHBondContact O-CE1 3.25Å
375F90Very high87.9Confident55 Ų5578.6 Ų78.624%0.24138%0.382CS..G310 helixtrans-117.621-177.6-57.9-52.5000112.6T348 L352 V367 D372 P373 F377 I378T348-F375 HydrophobicContact CG2-CE1 4.07Å; L352-F375 HydrophobicContact CD1-CD1 4.29Å; L352-F375 HydrophobicContact CD1-CE1 4.13Å; L352-F375 HydrophobicContact CD2-CD1 4.39Å; V367-F375 HydrophobicContact CG1-CB 3.81Å; V367-F375 HydrophobicContact CG1-CD1 4.45Å; V367-F375 HydrophobicContact CG1-CD2 3.39Å; V367-F375 HydrophobicContact CG1-CE2 4.07Å; V367-F375 HydrophobicContact CG1-CG 3.63Å; D372-F375 HydrophobicContact CB-CD2 3.71Å; D372-F375 HydrophobicContact CB-CE2 4.43Å; D372-F375 CarbonylContact O-C 3.53Å; D372-F375 WeakPolarHBondContact O-CA 3.35Å; D372-F375 PolarHBondContact O-N 2.96Å; P373-F375 PolarHBondContact O-N 3.12Å; F375-F377 HydrophobicContact CD1-CE1 4.18Å; F375-F377 AromaticContact CD1-CZ 3.92Å; F375-F377 HydrophobicContact CD1-CZ 3.92Å; F375-F377 PolarHBondContact O-N 3.5Å; F375-I378 HydrophobicContact CB-CD1 3.77Å; F375-I378 HydrophobicContact CB-CG1 4.33Å; F375-I378 HydrophobicContact CG-CD1 4.48Å; F375-I378 WeakPolarHBondContact O-CB 3.39Å; F375-I378 WeakPolarHBondContact O-CG1 3.34Å; F375-I378 PolarHBondContact O-N 3.35Å
376S87.2Confident87.8Confident55 Ų5576.2 Ų76.239%0.38537%0.369SS..G310 helixtrans-54.4-22.9175.948.60000114D372 P373 I378 M379 N382D372-S376 PolarHBondContact O-N 2.87Å; P373-S376 WeakPolarHBondContact O-CB 3.29Å; P373-S376 PolarHBondContact O-N 3.46Å; P373-S376 PolarHBondContact O-OG 3.38Å; S376-I378 PolarHBondContact O-N 3.12Å; S376-M379 WeakPolarHBondContact O-CB 3.48Å; S376-M379 PolarHBondContact O-N 3.01Å; S376-N382 WeakPolarHBondContact O-CB 3.49Å; S376-N382 PolarHBondContact O-ND2 3.4Å
377F90.5Very high87.7Confident2 Ų272.7 Ų72.71%0.00935%0.351CS..G310 helixtrans-71.2-1.8173.662.8-102.7000115.4T348 I349 L352 R374 F375 M379 Y385 Y388T348-F377 HydrophobicContact CG2-CE1 4.18Å; T348-F377 HydrophobicContact CG2-CZ 4.33Å; I349-F377 HydrophobicContact CB-CD2 4.41Å; I349-F377 HydrophobicContact CB-CE2 4.07Å; I349-F377 HydrophobicContact CB-CZ 4.2Å; I349-F377 HydrophobicContact CD1-CD1 4.48Å; I349-F377 HydrophobicContact CD1-CG 4.4Å; I349-F377 HydrophobicContact CG1-CD1 3.75Å; I349-F377 HydrophobicContact CG1-CD2 3.73Å; I349-F377 HydrophobicContact CG1-CE1 3.72Å; I349-F377 HydrophobicContact CG1-CE2 3.7Å; I349-F377 HydrophobicContact CG1-CG 3.75Å; I349-F377 HydrophobicContact CG1-CZ 3.7Å; I349-F377 HydrophobicContact CG2-CD2 4.25Å; I349-F377 HydrophobicContact CG2-CE2 4.1Å; L352-F377 HydrophobicContact CB-CE2 4.39Å; L352-F377 HydrophobicContact CB-CZ 4.37Å; L352-F377 HydrophobicContact CD2-CE2 3.61Å; L352-F377 HydrophobicContact CD2-CZ 4.02Å; R374-F377 VanDerWaalsContact O-CE1 3.25Å; R374-F377 WeakPolarHBondContact O-CE1 3.25Å; F375-F377 HydrophobicContact CD1-CE1 4.18Å; F375-F377 AromaticContact CD1-CZ 3.92Å; F375-F377 HydrophobicContact CD1-CZ 3.92Å; F375-F377 PolarHBondContact O-N 3.5Å; F377-M379 VanDerWaalsContact C-N 3.34Å; F377-Y385 VanDerWaalsContact O-CA 3.24Å; F377-Y385 WeakPolarHBondContact O-CA 3.25Å; F377-Y385 VanDerWaalsContact O-CB 3.25Å; F377-Y385 WeakPolarHBondContact O-CB 3.44Å; F377-Y385 WeakPolarHBondContact O-CD2 3.3Å; F377-Y388 HydrophobicContact CD2-CD2 4.18Å; F377-Y388 HydrophobicContact CD2-CG 4.22Å; F377-Y388 HydrophobicContact CE2-CD2 4.01Å
378I90Very high87.9Confident1 Ų172.3 Ų72.31%0.00535%0.348CS..G310 helixtrans-83.9-13.9169.6-54.8171.7000111.4L352 E364 V367 R368 F375 S376 Y385L352-I378 HydrophobicContact CD2-CD1 3.42Å; L352-I378 VanDerWaalsContact CD2-CD1 3.42Å; L352-I378 HydrophobicContact CD2-CG1 3.63Å; E364-I378 HydrophobicContact CG-CG2 3.78Å; V367-I378 HydrophobicContact CB-CD1 3.74Å; V367-I378 HydrophobicContact CG1-CD1 3.38Å; R368-I378 HydrophobicContact CB-CG2 4.01Å; R368-I378 PolarHBondContact NE-O 3.45Å; R368-I378 PolarHBondContact NH2-O 3.28Å; F375-I378 HydrophobicContact CB-CD1 3.77Å; F375-I378 HydrophobicContact CB-CG1 4.33Å; F375-I378 HydrophobicContact CG-CD1 4.48Å; F375-I378 WeakPolarHBondContact O-CB 3.39Å; F375-I378 WeakPolarHBondContact O-CG1 3.34Å; F375-I378 PolarHBondContact O-N 3.35Å; S376-I378 PolarHBondContact O-N 3.12Å; I378-Y385 WeakPolarHBondContact O-CD2 3.31Å; I378-Y385 VanDerWaalsContact O-CE2 3.27Å; I378-Y385 WeakPolarHBondContact O-CE2 2.96Å
379M85.5Confident87.9Confident56 Ų5671.5 Ų71.528%0.27635%0.346SS..SBendtrans-84.7141.3-179.1-58.2-59178.400111.2R368 R371 S376 F377 D381 N382 Y385R368-M379 HydrophobicContact CG-CE 3.93Å; R368-M379 HydrophobicContact CG-SD 3.91Å; R368-M379 WeakPolarHBondContact O-CE 3.34Å; R371-M379 HydrophobicContact CG-CE 4.08Å; S376-M379 WeakPolarHBondContact O-CB 3.48Å; S376-M379 PolarHBondContact O-N 3.01Å; F377-M379 VanDerWaalsContact C-N 3.34Å; M379-D381 PolarHBondContact O-N 3.22Å; M379-N382 WeakPolarHBondContact O-CB 3.25Å; M379-N382 PolarHBondContact O-N 2.61Å; M379-Y385 VanDerWaalsContact O-CB 3.31Å; M379-Y385 WeakPolarHBondContact O-CB 3.43Å
380F84.4Confident87.8Confident159 Ų15966.3 Ų66.370%0.69732%0.315SS*.THydrogen-bonded Turntrans-62.9-25.8-17662.4-94.6000114.6N382 Y385F380-N382 VanDerWaalsContact C-N 3.26Å; F380-N382 PolarHBondContact O-N 2.86Å; F380-Y385 VanDerWaalsContact CA-CD1 3.44Å; F380-Y385 HydrophobicContact CB-CD1 4.15Å; F380-Y385 HydrophobicContact CB-CE1 3.84Å
381D86.3Confident87.9Confident144 Ų14460.6 Ų60.677%0.7729%0.29SS*.THydrogen-bonded Turntrans-72.4-16177.1-168.443.8000113.3M379M379-D381 PolarHBondContact O-N 3.22Å
382N86Confident88.3Confident31 Ų3151.3 Ų51.317%0.16626%0.256CS..SBendtrans-85.5131.8-175.5-166.7-67000112.1S376 M379 F380 Y384 Y385S376-N382 WeakPolarHBondContact O-CB 3.49Å; S376-N382 PolarHBondContact O-ND2 3.4Å; M379-N382 WeakPolarHBondContact O-CB 3.25Å; M379-N382 PolarHBondContact O-N 2.61Å; F380-N382 VanDerWaalsContact C-N 3.26Å; F380-N382 PolarHBondContact O-N 2.86Å; N382-Y384 PolarHBondContact O-N 2.96Å; N382-Y384 VanDerWaalsContact O-N 3.13Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.24Å; N382-Y384 VanDerWaalsContact OD1-CD2 3.3Å; N382-Y384 WeakPolarHBondContact OD1-CD2 3.38Å; N382-Y384 PolarHBondContact OD1-N 3.47Å; N382-Y385 WeakPolarHBondContact O-CB 3.27Å; N382-Y385 PolarHBondContact O-N 3.16Å; N382-Y385 VanDerWaalsContact O-N 3.09Å
383P87.1Confident88.3Confident73 Ų7353 Ų5347%0.47426%0.263SS..THydrogen-bonded Turntrans-61.5-23.6-179.925.2-35.4000114.1S386P383-S386 PolarHBondContact O-OG 2.83Å
384Y88.9Confident88.4Confident56 Ų5653.5 Ų53.522%0.2225%0.251CS..THydrogen-bonded Turntrans-88.4-4.7179.5-49.6-56.8000113.9V339 P341 P342 L345 N382 S386 Y387 Y388V339-Y384 HydrophobicContact CG1-CD1 4.42Å; V339-Y384 HydrophobicContact CG1-CE1 4.02Å; P341-Y384 HydrophobicContact CB-CD1 3.87Å; P341-Y384 HydrophobicContact CB-CE1 4.29Å; P341-Y384 HydrophobicContact CB-CG 4.24Å; P342-Y384 VanDerWaalsContact CD-CZ 3.45Å; P342-Y384 WeakPolarHBondContact CD-OH 3.38Å; L345-Y384 HydrophobicContact CD1-CD2 4.2Å; L345-Y384 HydrophobicContact CD1-CE2 3.95Å; N382-Y384 PolarHBondContact O-N 2.96Å; N382-Y384 VanDerWaalsContact O-N 3.13Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.24Å; N382-Y384 VanDerWaalsContact OD1-CD2 3.3Å; N382-Y384 WeakPolarHBondContact OD1-CD2 3.38Å; N382-Y384 PolarHBondContact OD1-N 3.47Å; Y384-S386 PolarHBondContact O-N 3.12Å; Y384-Y387 PolarHBondContact O-N 3.04Å; Y384-Y388 PolarHBondContact O-N 2.86Å
385Y89.8Confident88.7Confident27 Ų2746.8 Ų46.811%0.10623%0.227CC..Hα-helixtrans-62.9-23.6176.5173-121.3000112H335 F377 I378 M379 F380 N382 Y388 K389H335-Y385 AromaticContact CE1-CD1 3.1Å; H335-Y385 WeakPolarHBondContact CE1-CD1 3.31Å; H335-Y385 AromaticContact CE1-CG 3.66Å; H335-Y385 AromaticContact ND1-CD1 4Å; H335-Y385 AromaticContact NE2-CD1 3.31Å; H335-Y385 VanDerWaalsContact NE2-CD1 3.31Å; H335-Y385 WeakPolarHBondContact NE2-CD1 3.39Å; H335-Y385 AromaticContact NE2-CE1 3.87Å; H335-Y385 AromaticContact NE2-CG 3.98Å; F377-Y385 VanDerWaalsContact O-CA 3.24Å; F377-Y385 WeakPolarHBondContact O-CA 3.25Å; F377-Y385 VanDerWaalsContact O-CB 3.25Å; F377-Y385 WeakPolarHBondContact O-CB 3.44Å; F377-Y385 WeakPolarHBondContact O-CD2 3.3Å; I378-Y385 WeakPolarHBondContact O-CD2 3.31Å; I378-Y385 VanDerWaalsContact O-CE2 3.27Å; I378-Y385 WeakPolarHBondContact O-CE2 2.96Å; M379-Y385 VanDerWaalsContact O-CB 3.31Å; M379-Y385 WeakPolarHBondContact O-CB 3.43Å; F380-Y385 VanDerWaalsContact CA-CD1 3.44Å; F380-Y385 HydrophobicContact CB-CD1 4.15Å; F380-Y385 HydrophobicContact CB-CE1 3.84Å; N382-Y385 WeakPolarHBondContact O-CB 3.27Å; N382-Y385 PolarHBondContact O-N 3.16Å; N382-Y385 VanDerWaalsContact O-N 3.09Å; Y385-Y388 AromaticContact CD2-CD1 3.66Å; Y385-Y388 HydrophobicContact CD2-CD1 3.66Å; Y385-Y388 HydrophobicContact CD2-CE1 4.23Å; Y385-Y388 AromaticContact CE2-CD1 3.98Å; Y385-Y388 HydrophobicContact CE2-CD1 3.98Å; Y385-Y388 HydrophobicContact CE2-CE1 4.12Å; Y385-Y388 PolarHBondContact O-N 3.42Å; Y385-K389 HydrophobicContact CD2-CG 4.23Å; Y385-K389 HydrophobicContact CE1-CG 4.4Å; Y385-K389 HydrophobicContact CE2-CD 4.4Å; Y385-K389 HydrophobicContact CE2-CG 3.98Å; Y385-K389 WeakPolarHBondContact O-CB 3.42Å; Y385-K389 VanDerWaalsContact O-CG 3.3Å; Y385-K389 WeakPolarHBondContact O-CG 3.1Å; Y385-K389 PolarHBondContact O-N 3.15Å; Y385-K389 WeakPolarHBondContact OH-CE 3.46Å; Y385-K389 PolarHBondContact OH-NZ 3.19Å
386S85.9Confident88.6Confident7 Ų748.2 Ų48.25%0.04923%0.234CC..Hα-helixtrans-73.1-42.5177.160.30000111.3H335 V337 P383 Y384 K389 A390H335-S386 VanDerWaalsContact CE1-CA 3.45Å; H335-S386 WeakPolarHBondContact CE1-CA 3.39Å; H335-S386 PolarHBondContact CE1-N 3.16Å; H335-S386 WeakPolarHBondContact NE2-CA 3.42Å; H335-S386 PolarHBondContact NE2-N 3.37Å; H335-S386 WeakPolarHBondContact O-CB 3.34Å; V337-S386 PolarHBondContact O-OG 3.13Å; P383-S386 PolarHBondContact O-OG 2.83Å; Y384-S386 PolarHBondContact O-N 3.12Å; S386-K389 PolarHBondContact O-N 3.18Å; S386-A390 VanDerWaalsContact O-CB 3.24Å; S386-A390 WeakPolarHBondContact O-CB 3.4Å; S386-A390 PolarHBondContact O-N 3.05Å
387Y89.8Confident88.4Confident14 Ų1450.2 Ų50.26%0.05523%0.234CC..Hα-helixtrans-63.1-41.6170.7-173.8-81.9000111.8V338 P341 Q346 I349 Y384 A390 K391 F425V338-Y387 HydrophobicContact CG1-CD2 3.85Å; V338-Y387 HydrophobicContact CG1-CG 4.49Å; P341-Y387 HydrophobicContact CG-CD1 3.77Å; P341-Y387 HydrophobicContact CG-CD2 4.09Å; P341-Y387 HydrophobicContact CG-CE1 3.79Å; P341-Y387 HydrophobicContact CG-CE2 4.1Å; P341-Y387 HydrophobicContact CG-CG 3.93Å; Q346-Y387 HydrophobicContact CG-CE1 4.27Å; Q346-Y387 WeakPolarHBondContact CG-OH 3.38Å; Q346-Y387 PolarHBondContact NE2-OH 3.02Å; I349-Y387 HydrophobicContact CD1-CD1 4.47Å; I349-Y387 HydrophobicContact CG2-CD1 3.81Å; I349-Y387 HydrophobicContact CG2-CE1 4.21Å; Y384-Y387 PolarHBondContact O-N 3.04Å; Y387-A390 WeakPolarHBondContact O-CB 3.27Å; Y387-A390 PolarHBondContact O-N 3.29Å; Y387-K391 HydrophobicContact CD1-CG 4.02Å; Y387-K391 HydrophobicContact CE1-CD 4.4Å; Y387-K391 HydrophobicContact CE1-CG 3.65Å; Y387-K391 WeakPolarHBondContact O-CB 3.45Å; Y387-K391 WeakPolarHBondContact O-CG 3.38Å; Y387-K391 PolarHBondContact O-N 3.37Å; Y387-K391 VanDerWaalsContact OH-CE 3.29Å; Y387-K391 WeakPolarHBondContact OH-CE 3.3Å; Y387-F425 AromaticContact CD2-CD1 3.94Å; Y387-F425 HydrophobicContact CD2-CD1 3.94Å; Y387-F425 AromaticContact CD2-CE1 3.73Å; Y387-F425 HydrophobicContact CD2-CE1 3.73Å; Y387-F425 AromaticContact CE2-CD1 3.73Å; Y387-F425 HydrophobicContact CE2-CD1 3.73Å; Y387-F425 AromaticContact CE2-CE1 3.64Å; Y387-F425 HydrophobicContact CE2-CE1 3.64Å; Y387-F425 HydrophobicContact CG-CE1 4.4Å
388Y92.7Very high88.2Confident0 Ų054.7 Ų54.70%026%0.255CS..Hα-helixtrans-61.7-50.5174.4163.6-97.6000112.1I349 L352 A353 V356 E364 F377 Y384 Y385 A390 K391 V392I349-Y388 HydrophobicContact CG2-CD2 4.25Å; L352-Y388 HydrophobicContact CD2-CD2 4.24Å; L352-Y388 HydrophobicContact CD2-CE2 3.71Å; L352-Y388 HydrophobicContact CG-CE2 4.33Å; A353-Y388 HydrophobicContact CB-CD2 4.3Å; A353-Y388 HydrophobicContact CB-CE2 4.43Å; V356-Y388 HydrophobicContact CG2-CE2 4.41Å; V356-Y388 WeakPolarHBondContact CG2-OH 3.28Å; E364-Y388 WeakPolarHBondContact CG-OH 3.42Å; E364-Y388 WeakPolarHBondContact OE2-CE1 3.36Å; E364-Y388 PolarHBondContact OE2-OH 3.2Å; F377-Y388 HydrophobicContact CD2-CD2 4.18Å; F377-Y388 HydrophobicContact CD2-CG 4.22Å; F377-Y388 HydrophobicContact CE2-CD2 4.01Å; Y384-Y388 PolarHBondContact O-N 2.86Å; Y385-Y388 AromaticContact CD2-CD1 3.66Å; Y385-Y388 HydrophobicContact CD2-CD1 3.66Å; Y385-Y388 HydrophobicContact CD2-CE1 4.23Å; Y385-Y388 AromaticContact CE2-CD1 3.98Å; Y385-Y388 HydrophobicContact CE2-CD1 3.98Å; Y385-Y388 HydrophobicContact CE2-CE1 4.12Å; Y385-Y388 PolarHBondContact O-N 3.42Å; Y388-A390 VanDerWaalsContact C-N 3.31Å; Y388-A390 PolarHBondContact O-N 3.44Å; Y388-K391 PolarHBondContact O-N 2.84Å; Y388-K391 VanDerWaalsContact O-N 3.14Å; Y388-V392 HydrophobicContact CD2-CG2 4.22Å; Y388-V392 HydrophobicContact CE1-CG2 4.24Å; Y388-V392 HydrophobicContact CE2-CG2 3.67Å; Y388-V392 WeakPolarHBondContact O-CG2 3.35Å; Y388-V392 PolarHBondContact O-N 3.34Å
389K90Very high88Confident42 Ų4257.4 Ų57.418%0.18327%0.269CS..Hα-helixtrans-54.2-47.6175-83.2-84.7-176.4169.40111.7Y326 Y385 S386 K391 V392 Q393Y326-K389 PolarHBondContact OH-NZ 3.47Å; Y385-K389 HydrophobicContact CD2-CG 4.23Å; Y385-K389 HydrophobicContact CE1-CG 4.4Å; Y385-K389 HydrophobicContact CE2-CD 4.4Å; Y385-K389 HydrophobicContact CE2-CG 3.98Å; Y385-K389 WeakPolarHBondContact O-CB 3.42Å; Y385-K389 VanDerWaalsContact O-CG 3.3Å; Y385-K389 WeakPolarHBondContact O-CG 3.1Å; Y385-K389 PolarHBondContact O-N 3.15Å; Y385-K389 WeakPolarHBondContact OH-CE 3.46Å; Y385-K389 PolarHBondContact OH-NZ 3.19Å; S386-K389 PolarHBondContact O-N 3.18Å; K389-K391 PolarHBondContact O-N 3.04Å; K389-V392 PolarHBondContact O-N 2.98Å; K389-Q393 PolarHBondContact O-N 3.44Å; K389-Q393 VanDerWaalsContact O-N 3.12Å
390A88.4Confident87.9Confident2 Ų255.3 Ų55.32%0.01726%0.259CS..Hα-helixtrans-57.7-45.7176.400000112.6S386 Y387 Y388 Q393 W394 I423 F425S386-A390 VanDerWaalsContact O-CB 3.24Å; S386-A390 WeakPolarHBondContact O-CB 3.4Å; S386-A390 PolarHBondContact O-N 3.05Å; Y387-A390 WeakPolarHBondContact O-CB 3.27Å; Y387-A390 PolarHBondContact O-N 3.29Å; Y388-A390 VanDerWaalsContact C-N 3.31Å; Y388-A390 PolarHBondContact O-N 3.44Å; A390-Q393 PolarHBondContact O-N 2.76Å; A390-W394 WeakPolarHBondContact O-CB 3.5Å; A390-W394 PolarHBondContact O-N 3.34Å; A390-I423 HydrophobicContact CB-CD1 3.8Å; A390-I423 HydrophobicContact CB-CG2 3.65Å; A390-F425 HydrophobicContact CB-CE1 3.97Å; A390-F425 HydrophobicContact CB-CZ 3.69Å
391K91.5Very high87.8Confident24 Ų2450.4 Ų50.410%0.10424%0.24CC..Hα-helixtrans-66.5-41179.1-80.1-76.8-178.2138.50113D350 A353 Y387 Y388 K389 Q393 W394 F395 F425D350-K391 WeakPolarHBondContact OD1-CD 3.22Å; D350-K391 WeakPolarHBondContact OD1-CE 3.23Å; D350-K391 WeakPolarHBondContact OD1-CG 3.4Å; D350-K391 IonicContact OD1-NZ 3.2Å; D350-K391 PolarHBondContact OD1-NZ 3.48Å; D350-K391 IonicContact OD2-NZ 2.67Å; D350-K391 PolarHBondContact OD2-NZ 3.16Å; A353-K391 HydrophobicContact CB-CB 3.56Å; Y387-K391 HydrophobicContact CD1-CG 4.02Å; Y387-K391 HydrophobicContact CE1-CD 4.4Å; Y387-K391 HydrophobicContact CE1-CG 3.65Å; Y387-K391 WeakPolarHBondContact O-CB 3.45Å; Y387-K391 WeakPolarHBondContact O-CG 3.38Å; Y387-K391 PolarHBondContact O-N 3.37Å; Y387-K391 VanDerWaalsContact OH-CE 3.29Å; Y387-K391 WeakPolarHBondContact OH-CE 3.3Å; Y388-K391 PolarHBondContact O-N 2.84Å; Y388-K391 VanDerWaalsContact O-N 3.14Å; K389-K391 PolarHBondContact O-N 3.04Å; K391-Q393 VanDerWaalsContact C-N 3.34Å; K391-Q393 PolarHBondContact O-N 3.2Å; K391-W394 HydrophobicContact CD-CE3 4.34Å; K391-W394 PolarHBondContact O-N 2.83Å; K391-F395 HydrophobicContact CB-CE2 4.43Å; K391-F395 HydrophobicContact CD-CE2 4.25Å; K391-F395 WeakPolarHBondContact O-CD2 3.49Å; K391-F395 PolarHBondContact O-N 2.77Å; K391-F425 HydrophobicContact CD-CZ 4.32Å; K391-F425 HydrophobicContact CG-CE1 4.42Å; K391-F425 HydrophobicContact CG-CZ 4.22Å
392V91.4Very high87.8Confident13 Ų1345.3 Ų45.38%0.07922%0.217CC..Hα-helixtrans-59.6-46174.8173.20000110.7A353 V356 Y388 K389 Q396A353-V392 HydrophobicContact CB-CG2 3.76Å; V356-V392 HydrophobicContact CB-CG2 4.12Å; V356-V392 HydrophobicContact CG1-CG1 3.93Å; V356-V392 HydrophobicContact CG1-CG2 3.94Å; Y388-V392 HydrophobicContact CD2-CG2 4.22Å; Y388-V392 HydrophobicContact CE1-CG2 4.24Å; Y388-V392 HydrophobicContact CE2-CG2 3.67Å; Y388-V392 WeakPolarHBondContact O-CG2 3.35Å; Y388-V392 PolarHBondContact O-N 3.34Å; K389-V392 PolarHBondContact O-N 2.98Å; V392-Q396 WeakPolarHBondContact O-CB 3.38Å; V392-Q396 VanDerWaalsContact O-CG 3.25Å; V392-Q396 WeakPolarHBondContact O-CG 3.5Å; V392-Q396 PolarHBondContact O-N 3.18Å; V392-Q396 VanDerWaalsContact O-N 3.08Å
393Q87.6Confident87.8Confident77 Ų7748.8 Ų48.836%0.3623%0.228SC..Hα-helixtrans-65.2-38.1176.4-72.1-177.5-31.700112.7K389 A390 K391 Q396 Y397K389-Q393 PolarHBondContact O-N 3.44Å; K389-Q393 VanDerWaalsContact O-N 3.12Å; A390-Q393 PolarHBondContact O-N 2.76Å; K391-Q393 VanDerWaalsContact C-N 3.34Å; K391-Q393 PolarHBondContact O-N 3.2Å; Q393-Q396 PolarHBondContact O-N 3.47Å; Q393-Y397 WeakPolarHBondContact O-CB 3.36Å; Q393-Y397 PolarHBondContact O-N 3.49Å
394W88.6Confident87.5Confident118 Ų11850 Ų5045%0.44722%0.224SC..Hα-helixtrans-64.7-48.1178.9-175.771.6000112.2A390 K391 Q396 Y397 E398A390-W394 WeakPolarHBondContact O-CB 3.5Å; A390-W394 PolarHBondContact O-N 3.34Å; K391-W394 HydrophobicContact CD-CE3 4.34Å; K391-W394 PolarHBondContact O-N 2.83Å; W394-Q396 PolarHBondContact O-N 3.48Å; W394-Y397 PolarHBondContact O-N 2.88Å; W394-E398 PolarHBondContact O-N 2.74Å
395F91.7Very high87.2Confident27 Ų2756.3 Ų56.312%0.11825%0.249CC..Hα-helixtrans-63.5-39.3175-72.6-60.3000112.4D350 A353 E354 A357 K391 Y397 E398 D399D350-F395 WeakPolarHBondContact O-CE2 3.29Å; A353-F395 HydrophobicContact CB-CD2 3.98Å; A353-F395 HydrophobicContact CB-CE2 3.96Å; E354-F395 HydrophobicContact CB-CD2 4.15Å; E354-F395 HydrophobicContact CB-CE1 4.28Å; E354-F395 HydrophobicContact CB-CE2 3.88Å; E354-F395 HydrophobicContact CB-CG 4.48Å; E354-F395 HydrophobicContact CB-CZ 3.94Å; E354-F395 HydrophobicContact CG-CE1 4.37Å; E354-F395 HydrophobicContact CG-CZ 4.49Å; A357-F395 HydrophobicContact CB-CB 3.52Å; K391-F395 HydrophobicContact CB-CE2 4.43Å; K391-F395 HydrophobicContact CD-CE2 4.25Å; K391-F395 WeakPolarHBondContact O-CD2 3.49Å; K391-F395 PolarHBondContact O-N 2.77Å; F395-Y397 VanDerWaalsContact C-N 3.26Å; F395-Y397 PolarHBondContact O-N 2.95Å; F395-E398 PolarHBondContact O-N 3.36Å; F395-D399 PolarHBondContact O-N 3.23Å
396Q87Confident87Confident85 Ų8561.6 Ų61.640%0.39727%0.274SS..Hα-helixtrans-61.9-34.3174.5-75.6174.3-13.200112.7A357 V392 Q393 W394 L400A357-Q396 HydrophobicContact CB-CG 3.87Å; V392-Q396 WeakPolarHBondContact O-CB 3.38Å; V392-Q396 VanDerWaalsContact O-CG 3.25Å; V392-Q396 WeakPolarHBondContact O-CG 3.5Å; V392-Q396 PolarHBondContact O-N 3.18Å; V392-Q396 VanDerWaalsContact O-N 3.08Å; Q393-Q396 PolarHBondContact O-N 3.47Å; W394-Q396 PolarHBondContact O-N 3.48Å; Q396-L400 WeakPolarHBondContact O-CB 3.2Å; Q396-L400 PolarHBondContact O-N 2.92Å; Q396-L400 VanDerWaalsContact O-N 3.12Å
397Y84.5Confident86.6Confident97 Ų9764.5 Ų64.538%0.3831%0.305SS..Hα-helixtrans-76.6-35.4175.9-173.2-121.6000112.4Q393 W394 F395 L400 I401 H421Q393-Y397 WeakPolarHBondContact O-CB 3.36Å; Q393-Y397 PolarHBondContact O-N 3.49Å; W394-Y397 PolarHBondContact O-N 2.88Å; F395-Y397 VanDerWaalsContact C-N 3.26Å; F395-Y397 PolarHBondContact O-N 2.95Å; Y397-L400 HydrophobicContact CD2-CD2 4.18Å; Y397-L400 WeakPolarHBondContact O-CB 3.34Å; Y397-L400 PolarHBondContact O-N 3.07Å; Y397-I401 HydrophobicContact CD1-CD1 3.74Å; Y397-I401 HydrophobicContact CD2-CD1 4.49Å; Y397-I401 HydrophobicContact CE1-CD1 3.4Å; Y397-I401 VanDerWaalsContact CE1-CD1 3.4Å; Y397-I401 HydrophobicContact CE1-CG1 4.35Å; Y397-I401 HydrophobicContact CE2-CD1 4.2Å; Y397-I401 HydrophobicContact CE2-CG1 4.29Å; Y397-I401 HydrophobicContact CG-CD1 4.28Å; Y397-I401 WeakPolarHBondContact O-CG1 3.28Å; Y397-I401 PolarHBondContact O-N 3.37Å; Y397-H421 AromaticContact CE1-CD2 3.74Å
398E86.1Confident86.3Confident95 Ų9568 Ų6844%0.44433%0.328SS..Hα-helixtrans-62.7-48172.1-170.3171.2-148.600111.3W394 F395 L400 I401 A402W394-E398 PolarHBondContact O-N 2.74Å; F395-E398 PolarHBondContact O-N 3.36Å; E398-L400 PolarHBondContact O-N 3.4Å; E398-I401 PolarHBondContact O-N 3.15Å; E398-A402 WeakPolarHBondContact O-CB 3.38Å; E398-A402 PolarHBondContact O-N 3.04Å
399D85.3Confident85.4Confident59 Ų5969.8 Ų69.832%0.31634%0.337SS..Hα-helixtrans-63.8-24.9173.1-82.2-22.5000112.8F395 R403F395-D399 PolarHBondContact O-N 3.23Å; D399-R403 WeakPolarHBondContact O-CG 3.32Å; D399-R403 PolarHBondContact O-N 3.02Å; D399-R403 PolarHBondContact O-NE 3.5Å
400L82.2Confident84.8Confident11 Ų1171.6 Ų71.66%0.05835%0.352CS..Hα-helixtrans-76.2-47.7174.4-168.279.7000111.3Q396 Y397 E398 R403 Y404 L409 M414 L417Q396-L400 WeakPolarHBondContact O-CB 3.2Å; Q396-L400 PolarHBondContact O-N 2.92Å; Q396-L400 VanDerWaalsContact O-N 3.12Å; Y397-L400 HydrophobicContact CD2-CD2 4.18Å; Y397-L400 WeakPolarHBondContact O-CB 3.34Å; Y397-L400 PolarHBondContact O-N 3.07Å; E398-L400 PolarHBondContact O-N 3.4Å; L400-R403 PolarHBondContact O-N 3.32Å; L400-Y404 PolarHBondContact O-N 3.24Å; L400-L409 HydrophobicContact CD1-CD1 3.61Å; L400-L409 HydrophobicContact CG-CD1 4.21Å; L400-M414 HydrophobicContact CD1-CE 3.99Å; L400-M414 HydrophobicContact CD2-CE 3.99Å; L400-M414 HydrophobicContact CD2-SD 4.07Å; L400-M414 HydrophobicContact CG-CE 3.64Å; L400-M414 HydrophobicContact CG-SD 4.11Å; L400-L417 HydrophobicContact CD1-CD1 4.24Å; L400-L417 HydrophobicContact CD2-CB 4.31Å; L400-L417 HydrophobicContact CD2-CD1 3.74Å
401I83Confident84.1Confident57 Ų5774.3 Ų74.329%0.29237%0.374SS..Hα-helixtrans-60.6-44.5176-73.8167.4000110.8Y397 E398 R403 Y404 Y405Y397-I401 HydrophobicContact CD1-CD1 3.74Å; Y397-I401 HydrophobicContact CD2-CD1 4.49Å; Y397-I401 HydrophobicContact CE1-CD1 3.4Å; Y397-I401 VanDerWaalsContact CE1-CD1 3.4Å; Y397-I401 HydrophobicContact CE1-CG1 4.35Å; Y397-I401 HydrophobicContact CE2-CD1 4.2Å; Y397-I401 HydrophobicContact CE2-CG1 4.29Å; Y397-I401 HydrophobicContact CG-CD1 4.28Å; Y397-I401 WeakPolarHBondContact O-CG1 3.28Å; Y397-I401 PolarHBondContact O-N 3.37Å; E398-I401 PolarHBondContact O-N 3.15Å; I401-R403 VanDerWaalsContact C-N 3.32Å; I401-R403 PolarHBondContact O-N 3.4Å; I401-Y404 WeakPolarHBondContact O-CB 3.4Å; I401-Y404 PolarHBondContact O-N 2.77Å; I401-Y404 VanDerWaalsContact O-N 3.17Å; I401-Y405 HydrophobicContact CG2-CD2 3.56Å; I401-Y405 HydrophobicContact CG2-CE2 3.53Å; I401-Y405 WeakPolarHBondContact O-CD2 3.44Å; I401-Y405 PolarHBondContact O-N 3.42Å
402A86Confident83.1Confident36 Ų3676.1 Ų76.130%0.29839%0.394SS..Hα-helixtrans-58.2-45.1177.900000111.5E398 Y404 Y405 Q406E398-A402 WeakPolarHBondContact O-CB 3.38Å; E398-A402 PolarHBondContact O-N 3.04Å; A402-Y404 PolarHBondContact O-N 3.34Å; A402-Y405 PolarHBondContact O-N 3.26Å; A402-Q406 WeakPolarHBondContact O-CB 3.16Å; A402-Q406 VanDerWaalsContact O-CD 3.28Å; A402-Q406 WeakPolarHBondContact O-CG 3.26Å; A402-Q406 PolarHBondContact O-N 2.84Å
403R85.7Confident82.1Confident104 Ų10478.7 Ų78.739%0.39241%0.407SS..Hα-helixtrans-66.7-32176.4-81.2-179.3-67.8151.9-0.6113.8D399 L400 I401 G407 T408 L409D399-R403 WeakPolarHBondContact O-CG 3.32Å; D399-R403 PolarHBondContact O-N 3.02Å; D399-R403 PolarHBondContact O-NE 3.5Å; L400-R403 PolarHBondContact O-N 3.32Å; I401-R403 VanDerWaalsContact C-N 3.32Å; I401-R403 PolarHBondContact O-N 3.4Å; R403-G407 PolarHBondContact O-N 3.15Å; R403-T408 WeakPolarHBondContact CA-OG1 3.49Å; R403-T408 VanDerWaalsContact CB-OG1 3.28Å; R403-T408 WeakPolarHBondContact CB-OG1 3.37Å; R403-T408 PolarHBondContact O-N 3.28Å; R403-T408 PolarHBondContact O-OG1 3.19Å; R403-L409 HydrophobicContact CB-CD1 3.55Å; R403-L409 HydrophobicContact CB-CG 4Å; R403-L409 PolarHBondContact O-N 3.23Å
404Y82.4Confident81.2Confident98 Ų9876.7 Ų76.738%0.38440%0.399SS..Hα-helixtrans-67-50.9173.2174.6-101.5000111.6L400 I401 A402 Q406 G407 M414L400-Y404 PolarHBondContact O-N 3.24Å; I401-Y404 WeakPolarHBondContact O-CB 3.4Å; I401-Y404 PolarHBondContact O-N 2.77Å; I401-Y404 VanDerWaalsContact O-N 3.17Å; A402-Y404 PolarHBondContact O-N 3.34Å; Y404-Q406 PolarHBondContact O-N 2.83Å; Y404-G407 PolarHBondContact O-N 3.02Å; Y404-M414 HydrophobicContact CD2-CE 4.32Å; Y404-M414 HydrophobicContact CD2-CG 3.91Å; Y404-M414 HydrophobicContact CD2-SD 4.05Å; Y404-M414 HydrophobicContact CE2-CG 4.26Å; Y404-M414 HydrophobicContact CG-CE 4.5Å; Y404-M414 HydrophobicContact CG-CG 4.37Å; Y404-M414 HydrophobicContact CG-SD 4Å
405Y81.9Confident79.9Confident190 Ų19075.5 Ų75.575%0.74540%0.401SS*.Hα-helixtrans-66.9-23.4176.6-74.9-62.7000113.7I401 A402 G407I401-Y405 HydrophobicContact CG2-CD2 3.56Å; I401-Y405 HydrophobicContact CG2-CE2 3.53Å; I401-Y405 WeakPolarHBondContact O-CD2 3.44Å; I401-Y405 PolarHBondContact O-N 3.42Å; A402-Y405 PolarHBondContact O-N 3.26Å; Y405-G407 PolarHBondContact O-N 3.43Å
406Q85.5Confident78.3Confident138 Ų13879.8 Ų79.865%0.64543%0.43SS*.THydrogen-bonded Turntrans-77.70.3169.5-70.2163.719.800113.7A402 Y404 T408A402-Q406 WeakPolarHBondContact O-CB 3.16Å; A402-Q406 VanDerWaalsContact O-CD 3.28Å; A402-Q406 WeakPolarHBondContact O-CG 3.26Å; A402-Q406 PolarHBondContact O-N 2.84Å; Y404-Q406 PolarHBondContact O-N 2.83Å; Q406-T408 VanDerWaalsContact C-N 3.28Å; Q406-T408 HydrophobicContact CB-CG2 4.27Å; Q406-T408 PolarHBondContact O-N 3.03Å
407G77.9Confident76.6Confident67 Ų6780.5 Ų80.569%0.69144%0.435SS*.THydrogen-bonded Turntrans72.216.2178.900000114.8R403 Y404 Y405R403-G407 PolarHBondContact O-N 3.15Å; Y404-G407 PolarHBondContact O-N 3.02Å; Y405-G407 PolarHBondContact O-N 3.43Å
408T82.3Confident74.7Confident88 Ų8882.3 Ų82.354%0.5445%0.447SS..SBendtrans-94.9-8.1-177.667.10000114.1R403 Q406R403-T408 WeakPolarHBondContact CA-OG1 3.49Å; R403-T408 VanDerWaalsContact CB-OG1 3.28Å; R403-T408 WeakPolarHBondContact CB-OG1 3.37Å; R403-T408 PolarHBondContact O-N 3.28Å; R403-T408 PolarHBondContact O-OG1 3.19Å; Q406-T408 VanDerWaalsContact C-N 3.28Å; Q406-T408 HydrophobicContact CB-CG2 4.27Å; Q406-T408 PolarHBondContact O-N 3.03Å
409L75.2Confident72.6Confident37 Ų3786.5 Ų86.519%0.19447%0.469CS..SBendtrans-130.8147175.8-69172000109.9L400 R403 D413 M414L400-L409 HydrophobicContact CD1-CD1 3.61Å; L400-L409 HydrophobicContact CG-CD1 4.21Å; R403-L409 HydrophobicContact CB-CD1 3.55Å; R403-L409 HydrophobicContact CB-CG 4Å; R403-L409 PolarHBondContact O-N 3.23Å; L409-D413 HydrophobicContact CB-CB 4.27Å; L409-D413 HydrophobicContact CD2-CB 3.99Å; L409-M414 HydrophobicContact CB-CE 3.81Å; L409-M414 HydrophobicContact CD1-CE 3.67Å; L409-M414 HydrophobicContact CG-CE 4.35Å
410T77.8Confident70.7Confident80 Ų8086.3 Ų86.349%0.49147%0.473SS..  trans-89.4168.3175.675.80000111.4A412 D413 M414T410-A412 PolarHBondContact O-N 2.87Å; T410-A412 PolarHBondContact OG1-N 3.22Å; T410-D413 WeakPolarHBondContact CA-OD2 3.43Å; T410-D413 VanDerWaalsContact CB-OD2 3.29Å; T410-D413 WeakPolarHBondContact CB-OD2 3.15Å; T410-D413 PolarHBondContact N-OD2 2.7Å; T410-D413 PolarHBondContact O-N 2.87Å; T410-D413 VanDerWaalsContact O-N 3.12Å; T410-D413 PolarHBondContact OG1-N 3.13Å; T410-D413 PolarHBondContact OG1-OD2 3.11Å; T410-M414 PolarHBondContact O-N 3.25Å
411A72.9Confident68.7Low59 Ų5992.6 Ų92.649%0.48850%0.501SS..SBendtrans-62.9-24.4171.700000113.1D413 M414A411-D413 VanDerWaalsContact C-N 3.33Å; A411-M414 PolarHBondContact O-N 3.46Å
412A70.9Confident66.5Low63 Ų63101 Ų10152%0.52153%0.531SS..Hα-helixtrans-68.7-34.617400000111.8T410 M414 N415T410-A412 PolarHBondContact O-N 2.87Å; T410-A412 PolarHBondContact OG1-N 3.22Å; A412-M414 PolarHBondContact O-N 2.99Å; A412-N415 PolarHBondContact O-N 3.27Å
413D68.8Low64.5Low66 Ų66102.3 Ų102.335%0.35353%0.532SS..Hα-helixtrans-74.8-10.8178.3-50-60.9000113.2L409 T410 A411 T416L409-D413 HydrophobicContact CB-CB 4.27Å; L409-D413 HydrophobicContact CD2-CB 3.99Å; T410-D413 WeakPolarHBondContact CA-OD2 3.43Å; T410-D413 VanDerWaalsContact CB-OD2 3.29Å; T410-D413 WeakPolarHBondContact CB-OD2 3.15Å; T410-D413 PolarHBondContact N-OD2 2.7Å; T410-D413 PolarHBondContact O-N 2.87Å; T410-D413 VanDerWaalsContact O-N 3.12Å; T410-D413 PolarHBondContact OG1-N 3.13Å; T410-D413 PolarHBondContact OG1-OD2 3.11Å; A411-D413 VanDerWaalsContact C-N 3.33Å; D413-T416 PolarHBondContact O-OG1 2.74Å
414M69.3Low62.4Low36 Ų36105 Ų10518%0.17755%0.553CS.*Hα-helixtrans-81.9-35.7168-59.1-60.596.100111.6L400 Y404 L409 T410 A411 A412 T416 L417L400-M414 HydrophobicContact CD1-CE 3.99Å; L400-M414 HydrophobicContact CD2-CE 3.99Å; L400-M414 HydrophobicContact CD2-SD 4.07Å; L400-M414 HydrophobicContact CG-CE 3.64Å; L400-M414 HydrophobicContact CG-SD 4.11Å; Y404-M414 HydrophobicContact CD2-CE 4.32Å; Y404-M414 HydrophobicContact CD2-CG 3.91Å; Y404-M414 HydrophobicContact CD2-SD 4.05Å; Y404-M414 HydrophobicContact CE2-CG 4.26Å; Y404-M414 HydrophobicContact CG-CE 4.5Å; Y404-M414 HydrophobicContact CG-CG 4.37Å; Y404-M414 HydrophobicContact CG-SD 4Å; L409-M414 HydrophobicContact CB-CE 3.81Å; L409-M414 HydrophobicContact CD1-CE 3.67Å; L409-M414 HydrophobicContact CG-CE 4.35Å; T410-M414 PolarHBondContact O-N 3.25Å; A411-M414 PolarHBondContact O-N 3.46Å; A412-M414 PolarHBondContact O-N 2.99Å; M414-T416 VanDerWaalsContact C-N 3.3Å; M414-T416 PolarHBondContact O-N 2.78Å; M414-L417 PolarHBondContact O-N 3.28Å; M414-L417 VanDerWaalsContact O-N 3.15Å
415N60.8Low60.5Low92 Ų92104.1 Ų104.149%0.49255%0.552SS.*Hα-helixtrans-70.5-25.5-173.2-68.7-13.8000113A412 L417 Q418A412-N415 PolarHBondContact O-N 3.27Å; N415-L417 PolarHBondContact O-N 2.87Å; N415-L417 VanDerWaalsContact O-N 3.16Å; N415-Q418 PolarHBondContact O-N 3.48Å; N415-Q418 PolarHBondContact OD1-OE1 2.66Å
416T58.3Low58.4Low118 Ų11898.3 Ų98.372%0.72454%0.537SS*.THydrogen-bonded Turntrans-65.5-9.6172.645.60000114.1D413 M414D413-T416 PolarHBondContact O-OG1 2.74Å; M414-T416 VanDerWaalsContact C-N 3.3Å; M414-T416 PolarHBondContact O-N 2.78Å
417L52.3Low55.9Low99 Ų9995.1 Ų95.152%0.51854%0.542SS..THydrogen-bonded Turntrans-12112.4176-85.6161.3000114.1L400 M414 N415 M419L400-L417 HydrophobicContact CD1-CD1 4.24Å; L400-L417 HydrophobicContact CD2-CB 4.31Å; L400-L417 HydrophobicContact CD2-CD1 3.74Å; M414-L417 PolarHBondContact O-N 3.28Å; M414-L417 VanDerWaalsContact O-N 3.15Å; N415-L417 PolarHBondContact O-N 2.87Å; N415-L417 VanDerWaalsContact O-N 3.16Å; L417-M419 PolarHBondContact O-N 3.42Å
418Q43.8Very low54.1Low135 Ų13599.6 Ų99.663%0.63154%0.542SS*.THydrogen-bonded Turntrans-71.565.3173.7-80.9-174.2-39.100113.2N415N415-Q418 PolarHBondContact O-N 3.48Å; N415-Q418 PolarHBondContact OD1-OE1 2.66Å
419M43.4Very low51.8Low184 Ų184101.1 Ų101.191%0.90655%0.554SS**THydrogen-bonded Turntrans-152.72.2173.8-140.867.967.400117L417L417-M419 PolarHBondContact O-N 3.42Å
420S44.4Very low49.7Very low55 Ų55107.2 Ų107.239%0.38559%0.585SS.*  trans-125.15.7-174.459.90000116.3Y422S420-Y422 PolarHBondContact O-N 3.35Å
421H40.8Very low47.7Very low143 Ų143109.2 Ų109.266%0.66260%0.597SS**  trans-76.745.3-174.9-162.1-73.2000114.1Y397Y397-H421 AromaticContact CE1-CD2 3.74Å
422Y36.3Very low45.7Very low234 Ų234115.2 Ų115.292%0.91862%0.615SS**  trans-140.341.2175-80.8-71.8000112.5S420 L424S420-Y422 PolarHBondContact O-N 3.35Å; Y422-L424 PolarHBondContact O-N 3.1Å
423I44.7Very low44.1Very low62 Ų62118.7 Ų118.732%0.31863%0.629SS.*  trans-95.487166-52.7-176000109.8V338 A390 F425V338-I423 HydrophobicContact CG2-CG2 3.96Å; A390-I423 HydrophobicContact CB-CD1 3.8Å; A390-I423 HydrophobicContact CB-CG2 3.65Å; I423-F425 HydrophobicContact CG2-CD2 4.48Å; I423-F425 HydrophobicContact CG2-CE2 4.3Å; I423-F425 HydrophobicContact CG2-CZ 4.47Å; I423-F425 PolarHBondContact O-N 3.45Å; I423-F425 VanDerWaalsContact O-N 3.15Å
424L40.1Very low42.5Very low160 Ų160124.4 Ų124.484%0.83865%0.654SS**  trans-75.694.3175.2-166.577.7000109.3Y422 P426Y422-L424 PolarHBondContact O-N 3.1Å; L424-P426 VanDerWaalsContact O-CD 3.23Å; L424-P426 WeakPolarHBondContact O-CD 3.34Å
425F44.4Very low40.8Very low80 Ų80132.2 Ų132.235%0.35169%0.687SS.*  trans-64.9115.3173-73.6-83.4000110.3V338 Y387 A390 K391 I423V338-F425 HydrophobicContact CG1-CD1 3.97Å; V338-F425 HydrophobicContact CG1-CE1 4.28Å; Y387-F425 AromaticContact CD2-CD1 3.94Å; Y387-F425 HydrophobicContact CD2-CD1 3.94Å; Y387-F425 AromaticContact CD2-CE1 3.73Å; Y387-F425 HydrophobicContact CD2-CE1 3.73Å; Y387-F425 AromaticContact CE2-CD1 3.73Å; Y387-F425 HydrophobicContact CE2-CD1 3.73Å; Y387-F425 AromaticContact CE2-CE1 3.64Å; Y387-F425 HydrophobicContact CE2-CE1 3.64Å; Y387-F425 HydrophobicContact CG-CE1 4.4Å; A390-F425 HydrophobicContact CB-CE1 3.97Å; A390-F425 HydrophobicContact CB-CZ 3.69Å; K391-F425 HydrophobicContact CD-CZ 4.32Å; K391-F425 HydrophobicContact CG-CE1 4.42Å; K391-F425 HydrophobicContact CG-CZ 4.22Å; I423-F425 HydrophobicContact CG2-CD2 4.48Å; I423-F425 HydrophobicContact CG2-CE2 4.3Å; I423-F425 HydrophobicContact CG2-CZ 4.47Å; I423-F425 PolarHBondContact O-N 3.45Å; I423-F425 VanDerWaalsContact O-N 3.15Å
426P36.4Very low39.7Very low68 Ų68133.5 Ų133.544%0.44270%0.7SS.*  trans-83.5137.3179.833.5-32.1000111.2V338 L424V338-P426 WeakPolarHBondContact O-CG 3.48Å; L424-P426 VanDerWaalsContact O-CD 3.23Å; L424-P426 WeakPolarHBondContact O-CD 3.34Å
427G33.8Very low38.4Very low72 Ų72133 Ų13374%0.74271%0.708SS**  trans88.5102161.300000116.9
428K40.6Very low37.6Very low160 Ų160132.1 Ų132.170%0.69672%0.722SS**SBend-71.1147125.8-71.7173.7179171.40106.9I430K428-I430 PolarHBondContact O-N 3.18Å
429P32.9Very low37.4Very low121 Ų121130 Ų13079%0.78673%0.728SS**PPolyproline II helixtrans-60.7138.8-175.124.6-34.1000111.5V431P429-V431 PolarHBondContact O-N 2.56Å
430I30.9Very low37.2Very low165 Ų165127.2 Ų127.285%0.84672%0.721SS**PPolyproline II helixtrans-68.1118.4165.6-64.6173.4000106.3K428 E432K428-I430 PolarHBondContact O-N 3.18Å; I430-E432 PolarHBondContact O-N 3.2Å
431V35.1Very low36.9Very low122 Ų122130.1 Ų130.174%0.73974%0.742SS**PPolyproline II helixtrans-65.6130.1171.9175.50000108.2P429 V433P429-V431 PolarHBondContact O-N 2.56Å; V431-V433 PolarHBondContact O-N 3.08Å
432E31Very low36.7Very low185 Ų185127.9 Ų127.986%0.86475%0.748SS**PPolyproline II helixtrans-60.9126176.8-62.8172.512600109.8I430I430-E432 PolarHBondContact O-N 3.2Å
433V38.3Very low36.8Very low135 Ų135122.5 Ų122.582%0.81874%0.742SS**  trans-123.3114.9167179.80000107V431V431-V433 PolarHBondContact O-N 3.08Å
434E35.1Very low36.5Very low187 Ų187126.2 Ų126.287%0.87477%0.767SS**  trans-61.4137.5-173.3-56.9172.9127.900111.3
435K32.7Very low36.4Very low200 Ų200122.6 Ų122.687%0.8776%0.76SS**  trans-100111.8170-173176.6179.6-179.50109
436P38Very low36Very low119 Ų119127 Ų12777%0.77379%0.786SS**  trans-66.7150.4-178.827.2-34.3000111.9
437A32.1Very low36.1Very low107 Ų107129.2 Ų129.288%0.88480%0.801SS**  trans-87.2159.5-176.300000113.3
438G35.4Very low36Very low80 Ų80130.8 Ų130.883%0.82580%0.8SS**  trans124.890.3156.800000116.8
439A38.8Very low35.9Very low90 Ų90130.4 Ų130.474%0.74481%0.812SS**  trans-174.998.2141.600000112.1
440T39.9Very low35.9Very low126 Ų126129.3 Ų129.377%0.77381%0.813SS**  trans35.9112138.755.70000121.6
441S38.3Very low36.1Very low116 Ų116126.1 Ų126.181%0.81181%0.811SS**  37.9141.9122.963.80000121.5
442A36.7Very low36.1Very low96 Ų96124.6 Ų124.679%0.79381%0.811SS**  cis-155.1166.815.200000112.8
443P37.2Very low36.5Very low122 Ų122123.7 Ų123.779%0.79281%0.807SS**  trans-112140.5-17738.3-29.1000116.2
444V39.4Very low36.5Very low140 Ų140122.8 Ų122.885%0.84879%0.794SS**  trans-148.7102.6162.4-176.60000105.9
445A38.2Very low36.9Very low84 Ų84121.6 Ų121.669%0.69479%0.786SS**  72.9100.577.200000115.3
446L34.7Very low37.3Very low172 Ų172118.2 Ų118.290%0.90178%0.777SS**  40162.2127.2-69.9170.7000121.7
447P38.9Very low37.4Very low115 Ų115118.9 Ų118.975%0.74778%0.779SS**  cis-132.5-1671.636.8-15.7000114.8
448S31.2Very low37.8Very low104 Ų104117.8 Ų117.873%0.72777%0.77SS**  trans-75.4154.7170.177.60000114.1
449T40Very low38.1Very low153 Ų153123.8 Ų123.894%0.93977%0.773SS**  trans-161.2177.1136.915.40000110.2
450A32.7Very low38.1Very low98 Ų98123.9 Ų123.981%0.8177%0.774SS**  trans-127.8177.2-166.300000114.2
451A33.8Very low38.2Very low97 Ų97122.5 Ų122.580%0.80278%0.776SS**  trans87.4111.1159.200000120.5
452A36.2Very low38.2Very low91 Ų91123.8 Ų123.875%0.75277%0.774SS**  75.4159.1127.100000122.2
453E38Very low38.2Very low165 Ų165123.9 Ų123.977%0.77177%0.768SS**  trans71.9145.9166.3-48.7-143.8115.500117.1
454Q39Very low38.3Very low116 Ų116126.5 Ų126.554%0.54277%0.774SS.*  cis-162.4152.9-15.1-115-17445.400108.5
455K43.3Very low38.2Very low163 Ų163130.9 Ų130.971%0.70978%0.776SS**  trans66.4162152.1-72.2171.6176.7149.50118.3
456D41.3Very low38.5Very low128 Ų128131.6 Ų131.668%0.68477%0.774SS**  cis-155.8163.7-8-123.3-37.8000112.4
457V40.9Very low38.6Very low134 Ų134131 Ų13181%0.81277%0.771SS**  trans62.3144.5149.8166.60000121.2
458A39.9Very low38.4Very low84 Ų84129 Ų12969%0.69477%0.771SS**  cis-171160-33.400000112.7
459K41Very low38.9Very low205 Ų205128.9 Ų128.989%0.89178%0.776SS**  trans93.5139.5135.5-157.2171.6-176.9177.20122.2
460A39Very low38.8Very low93 Ų93131.3 Ų131.377%0.76977%0.774SS**  trans76.8145162.300000118.8
461A41.9Very low39Very low97 Ų97136 Ų13680%0.80278%0.779SS**  cis-176.8169.3-20.600000108.4
462D38.5Very low39.2Very low143 Ų143138 Ų13877%0.76578%0.781SS**  cis-162.7153.9-43.8-175.116.1000107.8
463S36.5Very low39.3Very low97 Ų97136.7 Ų136.768%0.67878%0.777SS**  trans24.5133.9157.6-65.40000122.8
464L40.7Very low39Very low177 Ų177137.5 Ų137.593%0.92778%0.78SS**  -164124.5128.3-109.2165.8000113
465R36.2Very low38.9Very low232 Ų232137.1 Ų137.188%0.87579%0.786SS**  trans-165.4139.1173-167.7-177.3-168.8-126.13.7110.4
466P45.6Very low38.9Very low100 Ų100136.7 Ų136.765%0.64979%0.79SS**  trans-148.8152.914234.7-17000116.9
467N36.7Very low38.6Very low160 Ų160136 Ų13686%0.85679%0.792SS**  trans33150.7131.9-46.8-20000121.9
468G34.8Very low38.8Very low71 Ų71135.4 Ų135.473%0.73279%0.791SS**  cis168.8-167.71.500000113.8
469A40.4Very low38.6Very low102 Ų102137.3 Ų137.384%0.84380%0.8SS**  trans71.3141-175.500000116.5
470K37.5Very low38.2Very low205 Ų205133.5 Ų133.589%0.89180%0.799SS**  cis111.9106.27.6-85.6-162.1169.8-170.40114.6
471E38.4Very low38Very low195 Ų195134 Ų13491%0.91180%0.803SS**  -167-177129.6-111.7-176-175.800111.9
472V36.5Very low37.5Very low139 Ų139138 Ų13884%0.84281%0.805SS**  -140161.9-116144.40000115
473G38.7Very low37.3Very low65 Ų65139.2 Ų139.267%0.6781%0.811SS**  trans115.1111177.600000111.6
474E32.5Very low37.4Very low181 Ų181138.8 Ų138.885%0.84681%0.813SS**  cis71.2127.936.2-130.6-175.2141.800111.3
475V37.2Very low37.2Very low109 Ų109136 Ų13666%0.66181%0.806SS**  -164.7139.862.9161.60000113.5
476I42.1Very low37.2Very low154 Ų154132.1 Ų132.179%0.7980%0.798SS**  trans62.5134.8157.4-70.7163.2000122.3
477P36.5Very low36.4Very low112 Ų112133.5 Ų133.573%0.72781%0.805SS**  trans-113.4-148.5168.847.6-36.5000112.8
478P44.9Very low36.4Very low123 Ų123135.9 Ų135.980%0.79980%0.802SS**  -114.6171.4-126.935.9-16000116.9
479S35.7Very low36.5Very low124 Ų124141.9 Ų141.987%0.86781%0.808SS**  trans-148.3168.2165.970.90000113.4
480S31.2Very low36.4Very low125 Ų125143.1 Ų143.187%0.87481%0.807SS**  trans-90.4154.5-161.6-450000115.8
481A35.5Very low36.5Very low103 Ų103142.1 Ų142.185%0.85181%0.806SS**  trans-148.5135.1150.300000110.2
482E31.6Very low36.5Very low182 Ų182142.5 Ų142.585%0.8581%0.805SS**  trans-79.4158.6176.1-63.916190.200111.8
483N35.3Very low36.7Very low167 Ų167142.4 Ų142.489%0.89380%0.804SS**  -161.3162.4126.6-111.7-75.9000112.5
484A37.5Very low36.7Very low88 Ų88145.9 Ų145.973%0.72781%0.806SS**PPolyproline II helixtrans-83.8158.9-157.500000116
485P36Very low37Very low120 Ų120143 Ų14378%0.77980%0.803SS**PPolyproline II helixtrans-87.3135.6-176.833.8-34.5000113.9
486E35.8Very low37.2Very low150 Ų150144.6 Ų144.670%0.70181%0.807SS**PPolyproline II helixtrans-86.5127.2168.4-164-171.9-105.300110.9R488E486-R488 IonicContact OE2-CZ 2.89Å; E486-R488 IonicContact OE2-NE 3.71Å; E486-R488 PolarHBondContact OE2-NE 3.05Å; E486-R488 IonicContact OE2-NH2 2.68Å; E486-R488 PolarHBondContact OE2-NH2 3.05Å
487T30Very low37Very low129 Ų129142 Ų14279%0.79180%0.802SS**PPolyproline II helixtrans-89.5127.8-173.754.20000112.5
488R37.4Very low37.1Very low209 Ų209145.6 Ų145.679%0.78981%0.807SS**  trans-129130.1171.2-62.2-171.7-176.9-159.60.3110.2E486E486-R488 IonicContact OE2-CZ 2.89Å; E486-R488 IonicContact OE2-NE 3.71Å; E486-R488 PolarHBondContact OE2-NE 3.05Å; E486-R488 IonicContact OE2-NH2 2.68Å; E486-R488 PolarHBondContact OE2-NH2 3.05Å
489K36.3Very low36.9Very low197 Ų197144 Ų14486%0.85780%0.798SS**PPolyproline II helixtrans-76.4140-163.5-60.6169-176.9173.80111.3Q491K489-Q491 PolarHBondContact O-N 3.48Å
490P37.1Very low37.3Very low129 Ų129146.3 Ų146.384%0.83880%0.799SS**PPolyproline II helixtrans-65.5125.9172.727.6-33.5000110.2
491Q40Very low37.9Very low184 Ų184149.3 Ų149.386%0.8680%0.796SS**PPolyproline II helixtrans-75.2135.2171.6-72.2-177.2-32.600109.8K489 V493K489-Q491 PolarHBondContact O-N 3.48Å; Q491-V493 PolarHBondContact O-N 3.11Å
492K38.8Very low38.1Very low203 Ų203150.2 Ų150.288%0.88380%0.796SS**  trans-71.5108.3178.8-66.7-178.8177.8-176.30109.9L494K492-L494 PolarHBondContact O-N 3.18Å
493V40.4Very low38.6Very low137 Ų137147.8 Ų147.883%0.8379%0.788SS**PPolyproline II helixtrans-75.5118.9169.2-176.60000108.3Q491Q491-V493 PolarHBondContact O-N 3.11Å
494L38.8Very low38.5Very low138 Ų138148.1 Ų148.172%0.72379%0.785SS**PPolyproline II helixtrans-83.4148.3174.5-67.1172.5000110.2K492 I496K492-L494 PolarHBondContact O-N 3.18Å; L494-I496 PolarHBondContact O-N 3.29Å
495P39.6Very low38.7Very low119 Ų119152.1 Ų152.177%0.77379%0.786SS**PPolyproline II helixtrans-63.4128.2175.126.9-34000110.5S497P495-S497 PolarHBondContact O-N 3.39Å
496I39.9Very low38.7Very low144 Ų144153.6 Ų153.674%0.73878%0.782SS**  trans-79.8106.8-179.3-60174000108.9L494 F498L494-I496 PolarHBondContact O-N 3.29Å; I496-F498 HydrophobicContact CG2-CD1 4.18Å; I496-F498 HydrophobicContact CG2-CE1 4.07Å
497S38.1Very low38.4Very low98 Ų98152.4 Ų152.469%0.68579%0.788SS**  trans-103.4127.3171.153.60000111.3P495 S499P495-S497 PolarHBondContact O-N 3.39Å; S497-S499 PolarHBondContact O-N 2.9Å; S497-S499 VanDerWaalsContact O-N 3.11Å
498F39.6Very low38.7Very low189 Ų189158 Ų15883%0.82979%0.794SS**  trans-8678.5-177.3-17.2-81.5000110.9I496 I500I496-F498 HydrophobicContact CG2-CD1 4.18Å; I496-F498 HydrophobicContact CG2-CE1 4.07Å; F498-I500 PolarHBondContact O-N 3.43Å
499S40.8Very low38.4Very low89 Ų89153.7 Ų153.762%0.62280%0.796SS**  trans-73.1113173.6-59.70000111S497 K501S497-S499 PolarHBondContact O-N 2.9Å; S497-S499 VanDerWaalsContact O-N 3.11Å; S499-K501 PolarHBondContact O-N 2.99Å
500I44Very low38.6Very low172 Ų172149.5 Ų149.588%0.88279%0.792SS**  trans-66.5103172-58.2176.7000108.5F498 S502F498-I500 PolarHBondContact O-N 3.43Å; I500-S502 PolarHBondContact O-N 3.42Å
501K43.9Very low38.5Very low189 Ų189153.2 Ų153.282%0.82280%0.795SS**  trans-83.1101.9177.4-68.6178.7-178.9177.10109.8S499 L503S499-K501 PolarHBondContact O-N 2.99Å; K501-L503 PolarHBondContact O-N 3.11Å
502S39.8Very low38.2Very low122 Ų122151 Ų15185%0.85379%0.793SS**  trans-63.1114.5165.6-169.10000108.9I500 E504I500-S502 PolarHBondContact O-N 3.42Å; S502-E504 PolarHBondContact O-N 2.94Å
503L40.9Very low38Very low130 Ų130147.3 Ų147.368%0.68179%0.787SS**  trans-92.588.1-176.1-175.164.5000110.4K501 K505K501-L503 PolarHBondContact O-N 3.11Å; L503-K505 HydrophobicContact CD2-CD 4.1Å; L503-K505 HydrophobicContact CG-CD 4.34Å; L503-K505 HydrophobicContact CG-CG 4.31Å; L503-K505 PolarHBondContact O-N 3.47Å
504E34.5Very low37.5Very low175 Ų175147.9 Ų147.982%0.81879%0.785SS**  trans-56.4117.1171.4-172.8179.1174.300110.9S502S502-E504 PolarHBondContact O-N 2.94Å
505K40.6Very low37.7Very low171 Ų171147 Ų14774%0.74379%0.787SS**  trans-13488.4178.6-93.9-177.5172.7176.90112.1L503L503-K505 HydrophobicContact CD2-CD 4.1Å; L503-K505 HydrophobicContact CG-CD 4.34Å; L503-K505 HydrophobicContact CG-CG 4.31Å; L503-K505 PolarHBondContact O-N 3.47Å
506Q35.5Very low37.2Very low151 Ų151149.2 Ų149.271%0.70679%0.788SS**  trans35.7112.4138.8-68-65.1-45.300117.6R508Q506-R508 PolarHBondContact O-N 3.36Å
507P31Very low37Very low126 Ų126150.3 Ų150.382%0.81879%0.794SS**  trans-67.2133.7176.930-34.5000111.2
508R35.4Very low36.9Very low245 Ų245150.8 Ų150.893%0.92580%0.797SS**  trans-133.6137.2165.7-73.2-166.3171.1-164.5-3.5110.6Q506Q506-R508 PolarHBondContact O-N 3.36Å
509S31.8Very low36.7Very low119 Ų119150.1 Ų150.183%0.83280%0.797SS**  trans-98.4131.8-158.654.40000114.6
510S39.2Very low36.5Very low109 Ų109153 Ų15376%0.76281%0.805SS**  trans-164104.8151.544.20000107.3
511K35.3Very low36.1Very low207 Ų207152.8 Ų152.890%0.980%0.801SS**  58.776.480.2-79-164.3169.5-1720114.2
512V33.6Very low35.8Very low137 Ų137151.6 Ų151.683%0.8380%0.798SS**  trans-135.3116.5137.8-177.20000109.2
513V34.5Very low35.7Very low126 Ų126154.2 Ų154.276%0.76480%0.797SS**  trans-0.5124.7156.6-174.40000119.1
514L29.9Very low35.6Very low150 Ų150157 Ų15779%0.78581%0.806SS**  trans-95.1145.4141-96.189.1000109.1
515P43.4Very low35.6Very low118 Ų118157.4 Ų157.477%0.76681%0.808SS**  trans-69.7143.8147.1-11.729.1000110.3
516Q30.5Very low35.5Very low166 Ų166158.2 Ų158.278%0.77681%0.814SS**  trans-123-177.2166.6-66.1-165.7-84.200108.8
517L34.2Very low35.8Very low168 Ų168159.6 Ų159.688%0.8882%0.821SS**  trans83.2139.3170.4-45.9-179.5000113.5
518S36.3Very low36.2Very low107 Ų107162 Ų16275%0.74882%0.821SS**  cis-147.8165.60.143.90000112.5
519E35.4Very low36.3Very low176 Ų176159.5 Ų159.582%0.82282%0.82SS**  trans-68.4153.8166.8-61.5128.5153.800111.8
520N37.1Very low36.6Very low149 Ų149162 Ų16280%0.79782%0.818SS**  trans167.9113161.1-82-13.8000103.2
521E35Very low36.7Very low168 Ų168162.4 Ų162.479%0.78582%0.816SS**  73.4120.154.4-64-169149.600114.3
522E39.2Very low36.6Very low164 Ų164163.3 Ų163.377%0.76681%0.814SS**  trans78.5124.7155.4-64.6169.3169.800121.4
523E35.9Very low36.9Very low176 Ų176164.6 Ų164.682%0.82281%0.811SS**  trans67.4157151.6-67.2158.4-160.500117.5
524E39.7Very low37.3Very low188 Ų188166.7 Ų166.788%0.87981%0.813SS**  cis-130.817421.3-65.7166.2137.900113.4
525E35.4Very low37.6Very low184 Ų184168.3 Ų168.386%0.8682%0.816SS**  trans-110.8-165.1175.5-62.1-174.3129.200111.4
526E38Very low37.6Very low188 Ų188171.3 Ų171.388%0.87982%0.82SS**  trans86.2122163.2-53.4-172.2160.900120.5
527E41.6Very low38.3Very low181 Ų181171.8 Ų171.885%0.84682%0.822SS**  trans164.785.8142.5-93.1-177.7-164.500107.2
528E39.9Very low38.5Very low176 Ų176172.8 Ų172.882%0.82282%0.822SS**  79.4113.1104.1-72.2179.6-174.300113.5
529E36.7Very low38.7Very low192 Ų192170.7 Ų170.790%0.89782%0.818SS**  60.8142.591-63.7-155.1121.600113.9
530E38.6Very low39Very low171 Ų171170.1 Ų170.180%0.79982%0.815SS**  cis-163.1138.347.6-165.2-173.5177.600114
531V40.2Very low39.2Very low119 Ų119169.7 Ų169.772%0.72181%0.806SS**  trans65.2162.3147.6169.70000123.1
532R33.2Very low39.4Very low226 Ų226169.5 Ų169.585%0.85381%0.805SS**  trans-133.6170.3179.3-50.5167.7173.7-175.3-4.4109
533E41Very low39.4Very low164 Ų164169.4 Ų169.477%0.76681%0.805SS**  trans-175.4141.7135.7-102.5146.7-151.100114.1
534E42.6Very low39.6Very low170 Ų170166.2 Ų166.279%0.79480%0.797SS**  trans46.5129.3144.9-60.7167.3-175.700120.9
535E36.5Very low39.7Very low183 Ų183163.6 Ų163.686%0.85579%0.788SS**  cis97.6153.230.4-69.1-160.9-177.100116.6
536E42.6Very low40Very low182 Ų182163 Ų16385%0.8579%0.785SS**  trans71.5153.2178.9-51.4-172152.900116.5
537E45Very low40Very low175 Ų175157.1 Ų157.182%0.81877%0.774SS**  cis-148.1-171.811.5-148.1-178.3-164.900112.9
538E39.5Very low39.8Very low190 Ų190154.3 Ų154.389%0.88877%0.769SS**  trans-67.6177.5-173-53-176.4151.700115.8
539G38.7Very low39.9Very low63 Ų63151 Ų15165%0.64977%0.766SS**  cis164.6-170.43.400000112.2
540E43.1Very low40Very low164 Ų164147.7 Ų147.777%0.76676%0.759SS**  trans68.6156.3171.1-49.6-156.4159.600118.4
541K41.6Very low40Very low139 Ų139144.4 Ų144.460%0.60476%0.755SS**  cis-162.2153.6-22.4-106.2172.6-161.4147.80110.2
542E39.3Very low39.9Very low165 Ų165146.8 Ų146.877%0.77176%0.762SS**  trans26.2156.2133.4-52.8177.812600121.3
543E39Very low40Very low162 Ų162140.5 Ų140.576%0.75776%0.759SS**  cis-167.7-163.918.3-146-156144.300111.7
544V40.5Very low39.8Very low108 Ų108137 Ų13766%0.65576%0.759SS**  trans72.6134.41451510000118.2
545I41.5Very low39.8Very low134 Ų134134.5 Ų134.569%0.68776%0.76SS**  cis-167.9158.4-7.4-130.8173.8000107.2
546Q40.2Very low39.9Very low172 Ų172130.5 Ų130.580%0.80475%0.752SS**  cis-134.8-132.90.8-151.1171.997.900108.8
547G38.4Very low39.8Very low63 Ų63127.6 Ų127.665%0.64975%0.752SS**  cis132.2120.72.500000109.8
548T38.5Very low39.3Very low122 Ų122123.9 Ų123.975%0.74875%0.751SS**  cis-139.2140.337.151.50000113
549S41.1Very low39.4Very low108 Ų108123.1 Ų123.176%0.75575%0.751SS**  59.6132.9102.8-37.30000115.6
550T38.8Very low39.1Very low122 Ų122125.2 Ų125.275%0.74876%0.756SS**  cis-150.61342244.40000109.4
551S38.7Very low38.8Very low101 Ų101123.2 Ų123.271%0.70676%0.758SS**  82.2151.662.480.60000116.5
552L37.4Very low38.8Very low169 Ų169120.4 Ų120.489%0.88576%0.761SS**  trans79.2125.8-176.3-51.8172000115.9
553A35.3Very low38.9Very low94 Ų94118.6 Ų118.678%0.77776%0.761SS**  cis129.3129.4-21.400000116.3
554A38.3Very low38.9Very low92 Ų92118.7 Ų118.776%0.7677%0.765SS**  trans75.4130.1151.400000123.5
555S41.3Very low38.8Very low117 Ų117119.2 Ų119.282%0.81877%0.769SS**  trans72.6162.2147.482.70000119.4
556S38.4Very low38.8Very low99 Ų99119.3 Ų119.369%0.69278%0.776SS**  cis-169.9177.6-37.163.30000110.6
557S41.4Very low38.8Very low121 Ų121116.1 Ų116.185%0.84677%0.772SS**  trans73.4166.2165.782.10000117.8
558A35.6Very low38.7Very low97 Ų97120 Ų12080%0.80278%0.783SS**  trans-140.7149.3-172.200000111.4
559I40.2Very low38.7Very low173 Ų173118.1 Ų118.189%0.88778%0.78SS**  trans-134.7147.6175-62.6-177.5000109.4
560S32.2Very low38.7Very low108 Ų108122.3 Ų122.376%0.75579%0.785SS**  trans-114.8142.1-175.2177.50000112.2
561C37Very low38.7Very low121 Ų121125.1 Ų125.182%0.81879%0.789SS**  trans-145.9115.8157.8-86.30000107
562A41.8Very low38.6Very low80 Ų80125.8 Ų125.866%0.66179%0.791SS**  72.596.37300000112.2
563T40.6Very low38.7Very low127 Ų127125.2 Ų125.278%0.77979%0.786SS**  95.9107.576.9-67.50000112.5V565T563-V565 HydrophobicContact CG2-CG2 4.49Å
564I40.3Very low38.6Very low164 Ų164127.3 Ų127.384%0.84178%0.784SS**  trans-134.8135.9147.7-63.6-175.6000107.2
565V37Very low38.6Very low120 Ų120133.9 Ų133.973%0.72779%0.789SS**  trans-131.2129.4179.5175.90000109.2T563T563-V565 HydrophobicContact CG2-CG2 4.49Å
566T43.5Very low38.3Very low136 Ų136133.1 Ų133.183%0.83478%0.783SS**  trans-141.4130.916750.50000109.8
567S38.7Very low38.3Very low104 Ų104137.5 Ų137.573%0.72779%0.79SS**  trans-137116.1-168.157.70000113.3
568V36.8Very low38.2Very low144 Ų144136.9 Ų136.987%0.87378%0.781SS**  trans-145.7122163.6-176.80000105.5
569A38.1Very low38.2Very low83 Ų83140.3 Ų140.369%0.68678%0.781SS**  cis102.998.525.100000114.2
570K40.8Very low38.2Very low196 Ų196139 Ų13985%0.85278%0.775SS**  trans56121.1151.1-55-180-177.3178.50119.9
571H38.5Very low38.5Very low182 Ų182141.7 Ų141.784%0.84378%0.779SS**  -162129.2129.9-115.6-71.8000112.9
572P37.6Very low38.5Very low114 Ų114138.9 Ų138.974%0.7477%0.771SS**  trans-133.2141.6144.436.4-25.5000111.7
573M39.7Very low38.3Very low158 Ų158141 Ų14178%0.77878%0.781SS**  trans-164.4152163.3-85.2-48.3-71.200110.9
574D33.3Very low38.5Very low137 Ų137140 Ų14073%0.73378%0.779SS**  trans-73.3165.8176.6-54.1-87.7000115.5
575R37.8Very low38.1Very low230 Ų230141.7 Ų141.787%0.86878%0.783SS**  -177108120.9-98154.7-178.3-177.80.1116.4
576S35.6Very low38Very low101 Ų101139.7 Ų139.771%0.70679%0.787SS**  trans25.5145.6130.264.60000123.8
577K38.5Very low37.5Very low192 Ų192139.5 Ų139.584%0.83579%0.786SS**  trans114139.9160.5-68.6-169.4175.6-171.40113.8
578T37.9Very low37.3Very low108 Ų108141 Ų14166%0.66379%0.79SS**  cis-157.4146.81.56.60000111.1
579E37.1Very low37.4Very low168 Ų168137.6 Ų137.679%0.78578%0.778SS**  trans35.4142144.9-58.7175.8149.100121.3
580L38.3Very low37.3Very low147 Ų147140.7 Ų140.777%0.7778%0.782SS**  -162.4138.658-78162.7000115.2
581I39.5Very low37.5Very low163 Ų163139.6 Ų139.684%0.83679%0.786SS**  trans63.6130.4137.9-59.2175.4000123
582G36.4Very low37.3Very low63 Ų63138.4 Ų138.465%0.64979%0.786SS**  trans108.5100.4155.500000114.8
583S37.3Very low37.4Very low124 Ų124141.9 Ų141.987%0.86779%0.792SS**  63.3127.150.4-47.80000113.1
584S45.2Very low37.3Very low106 Ų106139.8 Ų139.874%0.74179%0.793SS**  cis-150.6134.86.752.60000109.2
585E32.4Very low37.4Very low199 Ų199139.2 Ų139.293%0.9380%0.795SS**  70.4126.285.4-157.5169.8-131.100114.8
586G35.1Very low37.1Very low79 Ų79136.1 Ų136.181%0.81479%0.79SS**  trans162.288-176.700000114
587T32.5Very low36.8Very low131 Ų131136.3 Ų136.380%0.80479%0.789SS**  trans-110.6158-178.651.40000112.6
588V34Very low36.6Very low135 Ų135135.3 Ų135.382%0.81879%0.792SS**  trans155.4144.1135.5156.10000112.4
589A39.5Very low36.3Very low74 Ų74137 Ų13761%0.61280%0.796SS**  trans65.4126.516800000116.8
590D36.6Very low35.9Very low147 Ų147135.3 Ų135.379%0.78679%0.793SS**  cis75.4105.935-51.8-55.4000113.9
591D44.2Very low35.8Very low173 Ų173133.8 Ų133.893%0.92580%0.795SS**  -175.3140.4128.3-96.9-25000110.2
592D35.2Very low35.8Very low158 Ų158134.1 Ų134.185%0.84580%0.796SS**  trans-118.8165.9-174.4-114.7-44.1000111.3
593E38.3Very low35.7Very low186 Ų186136.7 Ų136.787%0.86981%0.805SS**  trans66.7142.1173.7-52.8-159127.800119.5
594S38.9Very low35.7Very low115 Ų115136.1 Ų136.180%0.80480%0.8SS**  156.8151.1116.9-160.60000113.9
595V35.1Very low35.5Very low125 Ų125136.8 Ų136.876%0.75880%0.802SS**  trans-33.5139.1-176.8-74.90000117.8
596H30.5Very low35.9Very low165 Ų165132.9 Ų132.976%0.76480%0.797SS**  69.5137.361.9-174.2-73.1000114.8
597C31.2Very low35.9Very low104 Ų104136.6 Ų136.670%0.70380%0.798SS**  trans70.7126.5-166-64.70000113.7
598L34.3Very low36.3Very low171 Ų171138 Ų13890%0.89580%0.8SS**  -147.1159.468.5-96.1164000114.2
599L30.2Very low36.7Very low143 Ų143140.1 Ų140.175%0.74980%0.799SS**  trans-109.1173.2175.8-134.873.8000110.4
600D29.1Very low36.5Very low134 Ų134147.2 Ų147.272%0.71782%0.816SS**  trans64.9122.1160.8-52-31.7000119.7
601S36.3Very low36.7Very low115 Ų115144.7 Ų144.780%0.80482%0.816SS**  152.473.5121.9-66.50000116.4
602I38.9Very low36.6Very low169 Ų169140.6 Ų140.687%0.86780%0.801SS**  trans-167.898.7145.425.7168.5000107.6
603S35.6Very low37Very low118 Ų118136.2 Ų136.283%0.82579%0.786SS**  83.2110.464.8-167.70000113.9
604S36.6Very low37.4Very low111 Ų111133.7 Ų133.778%0.77678%0.779SS**  trans-71.9173.5175.1-35.60000112.3
605P40.9Very low38.1Very low120 Ų120130.3 Ų130.378%0.77976%0.762SS**  -150.1156.771.840.3-22000117.6
606S40.7Very low39Very low117 Ų117129 Ų12982%0.81875%0.751SS**  168.9145.3125.741.10000111.3
607D35.6Very low40.8Very low158 Ų158127.4 Ų127.485%0.84574%0.744SS**  trans-91.9138.9-169.6-54.5-98.3000113.3
608D40Very low42.9Very low159 Ų159126 Ų12685%0.8574%0.735SS**  trans-175.1167.8134.9-116.3-30.3000113.7
609K42.8Very low44.9Very low180 Ų180122.8 Ų122.878%0.78372%0.718SS**  trans72.853169.6-58.8166.9-171.4168.20118.2A611K609-A611 PolarHBondContact O-N 3Å
610K34.7Very low47.2Very low223 Ų223122.4 Ų122.497%0.9771%0.713SS**THydrogen-bonded Turntrans-72.557.8168.4-165.3-175179.6179.20113.5
611A42.4Very low49.7Very low95 Ų95120.2 Ų120.279%0.78570%0.7SS**THydrogen-bonded Turntrans-146.9-3.1-170.100000117.9K609K609-A611 PolarHBondContact O-N 3Å
612S41.3Very low52Low87 Ų87117.5 Ų117.561%0.60868%0.677SS**SBendtrans-125.28.7-177.562.80000115.6N616S612-N616 PolarHBondContact O-ND2 3.42Å
613A43.9Very low54.2Low66 Ų66118.2 Ų118.255%0.54567%0.669SS.*Hα-helixtrans-76.1-51179.400000112.3G615 N616 E617A613-G615 VanDerWaalsContact C-N 3.29Å; A613-G615 PolarHBondContact O-N 2.96Å; A613-N616 WeakPolarHBondContact O-CB 3.34Å; A613-N616 PolarHBondContact O-N 3.24Å; A613-E617 PolarHBondContact O-N 2.95Å
614D47.1Very low56.7Low132 Ų132122 Ų12271%0.70667%0.665SS**Hα-helixtrans-58.5-36.4-168.2-52.311.1000113.1N616 E617 S618D614-N616 VanDerWaalsContact C-N 3.34Å; D614-N616 PolarHBondContact O-N 3.47Å; D614-E617 PolarHBondContact O-N 2.91Å; D614-S618 WeakPolarHBondContact O-CB 3.48Å; D614-S618 PolarHBondContact O-N 2.74Å
615G52Low59.4Low44 Ų44123.2 Ų123.245%0.45466%0.656SS.*Hα-helixtrans-65.1-34.3176.400000113.5A613 L619A613-G615 VanDerWaalsContact C-N 3.29Å; A613-G615 PolarHBondContact O-N 2.96Å; G615-L619 WeakPolarHBondContact O-CB 3.31Å; G615-L619 PolarHBondContact O-N 2.76Å
616N54Low61.6Low98 Ų98125.8 Ų125.852%0.52465%0.65SS.*Hα-helixtrans-75.9-33.3179.1-67.1-30.1000112S612 A613 D614 Q620S612-N616 PolarHBondContact O-ND2 3.42Å; A613-N616 WeakPolarHBondContact O-CB 3.34Å; A613-N616 PolarHBondContact O-N 3.24Å; D614-N616 VanDerWaalsContact C-N 3.34Å; D614-N616 PolarHBondContact O-N 3.47Å; N616-Q620 WeakPolarHBondContact O-CG 3.48Å; N616-Q620 PolarHBondContact O-N 3.32Å; N616-Q620 VanDerWaalsContact O-N 3.15Å; N616-Q620 PolarHBondContact O-NE2 3.32Å
617E70.1Confident63.8Low131 Ų131123.1 Ų123.161%0.61264%0.635SS**Hα-helixtrans-71-42.9172.9-171.7168-165.400111A613 D614 L619 Q620 L621A613-E617 PolarHBondContact O-N 2.95Å; D614-E617 PolarHBondContact O-N 2.91Å; E617-L619 PolarHBondContact O-N 3.2Å; E617-Q620 PolarHBondContact O-N 2.76Å; E617-Q620 VanDerWaalsContact O-N 3.15Å; E617-L621 HydrophobicContact CG-CD1 4.29Å; E617-L621 WeakPolarHBondContact O-CG 3.28Å; E617-L621 PolarHBondContact O-N 3Å
618S74.4Confident66.4Low76 Ų76122.5 Ų122.553%0.53163%0.625SS.*Hα-helixtrans-57.3-46174-171.90000112.5D614 Q620 L621 D622D614-S618 WeakPolarHBondContact O-CB 3.48Å; D614-S618 PolarHBondContact O-N 2.74Å; S618-Q620 PolarHBondContact O-N 3.36Å; S618-L621 PolarHBondContact O-N 3.48Å; S618-D622 PolarHBondContact O-N 3.05Å
619L75.9Confident68.7Low102 Ų102121.1 Ų121.153%0.53462%0.617SS.*Hα-helixtrans-62.7-37.2175.1-84.4166.2000113.2G615 E617 R623G615-L619 WeakPolarHBondContact O-CB 3.31Å; G615-L619 PolarHBondContact O-N 2.76Å; E617-L619 PolarHBondContact O-N 3.2Å; L619-R623 WeakPolarHBondContact O-CB 3.27Å; L619-R623 VanDerWaalsContact O-CG 3.27Å; L619-R623 WeakPolarHBondContact O-CG 3.43Å; L619-R623 PolarHBondContact O-N 3.31Å
620Q78.3Confident70.8Confident135 Ų135119.2 Ų119.263%0.63161%0.609SS**Hα-helixtrans-69.6-38.8174.7-77.3-178.579.400112.2N616 E617 S618 R624N616-Q620 WeakPolarHBondContact O-CG 3.48Å; N616-Q620 PolarHBondContact O-N 3.32Å; N616-Q620 VanDerWaalsContact O-N 3.15Å; N616-Q620 PolarHBondContact O-NE2 3.32Å; E617-Q620 PolarHBondContact O-N 2.76Å; E617-Q620 VanDerWaalsContact O-N 3.15Å; S618-Q620 PolarHBondContact O-N 3.36Å; Q620-R624 VanDerWaalsContact O-CB 3.28Å; Q620-R624 WeakPolarHBondContact O-CB 3.47Å; Q620-R624 PolarHBondContact O-N 3.31Å
621L82.3Confident73.2Confident88 Ų88113.8 Ų113.846%0.46159%0.59SS.*Hα-helixtrans-63.9-41.3174.8-72.1171.9000111.8E617 S618 R624 K625E617-L621 HydrophobicContact CG-CD1 4.29Å; E617-L621 WeakPolarHBondContact O-CG 3.28Å; E617-L621 PolarHBondContact O-N 3Å; S618-L621 PolarHBondContact O-N 3.48Å; L621-R624 PolarHBondContact O-N 3.3Å; L621-K625 VanDerWaalsContact O-CG 3.31Å; L621-K625 WeakPolarHBondContact O-CG 3.26Å; L621-K625 PolarHBondContact O-N 3.25Å
622D85.4Confident75.1Confident58 Ų58113.8 Ų113.831%0.3158%0.577SS.*Hα-helixtrans-69.2-43.4176.7-164.957.1000112.4S618 R624 K625 R626S618-D622 PolarHBondContact O-N 3.05Å; D622-R624 VanDerWaalsContact C-N 3.27Å; D622-R624 PolarHBondContact O-N 3.02Å; D622-K625 WeakPolarHBondContact O-CB 3.49Å; D622-K625 PolarHBondContact O-N 3.29Å; D622-K625 VanDerWaalsContact O-N 3.15Å; D622-R626 WeakPolarHBondContact O-CG 3.45Å; D622-R626 PolarHBondContact O-N 3.33Å; D622-R626 IonicContact OD2-CZ 2.7Å; D622-R626 IonicContact OD2-NE 3.11Å; D622-R626 PolarHBondContact OD2-NE 2.86Å; D622-R626 IonicContact OD2-NH2 2.6Å; D622-R626 PolarHBondContact OD2-NH2 3.41Å
623R85.1Confident77.1Confident184 Ų184116.9 Ų116.969%0.69458%0.579SS**Hα-helixtrans-55.5-42.8171.3-74.8174.9179-160.8-0.6111.6L619 R626 A627L619-R623 WeakPolarHBondContact O-CB 3.27Å; L619-R623 VanDerWaalsContact O-CG 3.27Å; L619-R623 WeakPolarHBondContact O-CG 3.43Å; L619-R623 PolarHBondContact O-N 3.31Å; R623-R626 PolarHBondContact O-N 2.91Å; R623-A627 WeakPolarHBondContact O-CB 3.31Å; R623-A627 PolarHBondContact O-N 2.96Å
624R87.9Confident78.7Confident197 Ų197118 Ų11874%0.74358%0.576SS**Hα-helixtrans-68.2-35.8177.6-167.2175.8-174.8-177.12.4112.8Q620 L621 D622 K628Q620-R624 VanDerWaalsContact O-CB 3.28Å; Q620-R624 WeakPolarHBondContact O-CB 3.47Å; Q620-R624 PolarHBondContact O-N 3.31Å; L621-R624 PolarHBondContact O-N 3.3Å; D622-R624 VanDerWaalsContact C-N 3.27Å; D622-R624 PolarHBondContact O-N 3.02Å; R624-K628 PolarHBondContact O-N 3.5Å; R624-K628 VanDerWaalsContact O-N 3.1Å
625K91.8Very high80Confident138 Ų138115.7 Ų115.760%0.657%0.567SS**Hα-helixtrans-63.6-50.4172.1-74.9169.7-178.4176.90111.2L621 D622 A627 K628 L629L621-K625 VanDerWaalsContact O-CG 3.31Å; L621-K625 WeakPolarHBondContact O-CG 3.26Å; L621-K625 PolarHBondContact O-N 3.25Å; D622-K625 WeakPolarHBondContact O-CB 3.49Å; D622-K625 PolarHBondContact O-N 3.29Å; D622-K625 VanDerWaalsContact O-N 3.15Å; K625-A627 PolarHBondContact O-N 3.44Å; K625-K628 PolarHBondContact O-N 3.33Å; K625-L629 PolarHBondContact O-N 3.33Å
626R88.9Confident80.9Confident173 Ų173116.9 Ų116.965%0.65357%0.572SS**Hα-helixtrans-59.8-44.6177.9-66-176.6-160.1-141.63112D622 R623 K628 L629 F630D622-R626 WeakPolarHBondContact O-CG 3.45Å; D622-R626 PolarHBondContact O-N 3.33Å; D622-R626 IonicContact OD2-CZ 2.7Å; D622-R626 IonicContact OD2-NE 3.11Å; D622-R626 PolarHBondContact OD2-NE 2.86Å; D622-R626 IonicContact OD2-NH2 2.6Å; D622-R626 PolarHBondContact OD2-NH2 3.41Å; R623-R626 PolarHBondContact O-N 2.91Å; R626-K628 VanDerWaalsContact C-N 3.34Å; R626-K628 PolarHBondContact O-N 3.3Å; R626-L629 PolarHBondContact O-N 2.9Å; R626-F630 PolarHBondContact O-N 2.68Å
627A86.3Confident81.3Confident61 Ų61120.3 Ų120.350%0.50458%0.582SS.*Hα-helixtrans-60.5-40.1176.100000112.6R623 K625 F630 L631R623-A627 WeakPolarHBondContact O-CB 3.31Å; R623-A627 PolarHBondContact O-N 2.96Å; K625-A627 PolarHBondContact O-N 3.44Å; A627-F630 PolarHBondContact O-N 3.33Å; A627-L631 WeakPolarHBondContact O-CB 3.39Å; A627-L631 PolarHBondContact O-N 3.39Å
628K90.4Very high80.8Confident146 Ų146119.4 Ų119.464%0.63559%0.586SS**Hα-helixtrans-67.7-40.3175.4-167.8-178.6179.6-171.40112.2R624 K625 R626 L631 N632R624-K628 PolarHBondContact O-N 3.5Å; R624-K628 VanDerWaalsContact O-N 3.1Å; K625-K628 PolarHBondContact O-N 3.33Å; R626-K628 VanDerWaalsContact C-N 3.34Å; R626-K628 PolarHBondContact O-N 3.3Å; K628-L631 PolarHBondContact O-N 3.1Å; K628-N632 PolarHBondContact O-N 3.46Å; K628-N632 PolarHBondContact O-OD1 3.15Å
629L88.4Confident79.7Confident129 Ų129118.8 Ų118.868%0.67559%0.591SS**Hα-helixtrans-61.6-42.6174.6-105.2159.9000112.1K625 R626 N632 K633K625-L629 PolarHBondContact O-N 3.33Å; R626-L629 PolarHBondContact O-N 2.9Å; L629-N632 PolarHBondContact O-N 3.46Å; L629-K633 PolarHBondContact O-N 2.92Å
630F87Confident78.2Confident140 Ų140122 Ų12261%0.61461%0.605SS**Hα-helixtrans-63.6-44.1175-174.6-104.4000112R626 A627 N632 K633 L634R626-F630 PolarHBondContact O-N 2.68Å; A627-F630 PolarHBondContact O-N 3.33Å; F630-N632 PolarHBondContact O-N 2.92Å; F630-K633 PolarHBondContact O-N 3.32Å; F630-K633 VanDerWaalsContact O-N 3.11Å; F630-L634 HydrophobicContact CD1-CD1 4.07Å; F630-L634 HydrophobicContact CE1-CD1 3.7Å; F630-L634 HydrophobicContact CE1-CG 4.25Å; F630-L634 HydrophobicContact CZ-CD1 4.33Å; F630-L634 HydrophobicContact CZ-CG 4.5Å; F630-L634 PolarHBondContact O-N 3.38Å
631L83.8Confident76.6Confident110 Ų110122.5 Ų122.558%0.57661%0.613SS**Hα-helixtrans-62.2-42.2176.5-161.873000111.9A627 K628 K633 L634 T635A627-L631 WeakPolarHBondContact O-CB 3.39Å; A627-L631 PolarHBondContact O-N 3.39Å; K628-L631 PolarHBondContact O-N 3.1Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.2Å; L631-L634 PolarHBondContact O-N 2.91Å; L631-T635 PolarHBondContact O-N 3.03Å; L631-T635 PolarHBondContact O-OG1 2.93Å
632N82.6Confident74.6Confident94 Ų94127.7 Ų127.750%0.50363%0.634SS.*Hα-helixtrans-60.3-38.5172.5-89.948.2000112.4K628 L629 F630 L634 T635 A636K628-N632 PolarHBondContact O-N 3.46Å; K628-N632 PolarHBondContact O-OD1 3.15Å; L629-N632 PolarHBondContact O-N 3.46Å; F630-N632 PolarHBondContact O-N 2.92Å; N632-L634 VanDerWaalsContact C-N 3.34Å; N632-T635 WeakPolarHBondContact CA-OG1 3.39Å; N632-T635 PolarHBondContact O-N 2.95Å; N632-T635 PolarHBondContact O-OG1 3.3Å; N632-A636 WeakPolarHBondContact O-CB 3.41Å; N632-A636 PolarHBondContact O-N 3.14Å
633K84.5Confident72.6Confident152 Ų152133.6 Ų133.666%0.66166%0.66SS**Hα-helixtrans-69.3-31.2178.3-164.7166.3-176173.20112.2L629 F630 L631 K637L629-K633 PolarHBondContact O-N 2.92Å; F630-K633 PolarHBondContact O-N 3.32Å; F630-K633 VanDerWaalsContact O-N 3.11Å; L631-K633 VanDerWaalsContact C-N 3.31Å; L631-K633 PolarHBondContact O-N 3.2Å; K633-K637 PolarHBondContact O-N 3.05Å; K633-K637 VanDerWaalsContact O-N 3.15Å
634L76.8Confident70.3Confident89 Ų89133.4 Ų133.447%0.46667%0.667SS.*Hα-helixtrans-69.4-42.4170.2-68.4173.9000112.3F630 L631 N632 A636 K637 T638F630-L634 HydrophobicContact CD1-CD1 4.07Å; F630-L634 HydrophobicContact CE1-CD1 3.7Å; F630-L634 HydrophobicContact CE1-CG 4.25Å; F630-L634 HydrophobicContact CZ-CD1 4.33Å; F630-L634 HydrophobicContact CZ-CG 4.5Å; F630-L634 PolarHBondContact O-N 3.38Å; L631-L634 PolarHBondContact O-N 2.91Å; N632-L634 VanDerWaalsContact C-N 3.34Å; L634-A636 VanDerWaalsContact C-N 3.33Å; L634-A636 PolarHBondContact O-N 2.7Å; L634-K637 PolarHBondContact O-N 3.26Å; L634-T638 PolarHBondContact O-N 2.87Å; L634-T638 PolarHBondContact O-OG1 3.15Å
635T74.7Confident67.9Low85 Ų85128.8 Ų128.852%0.52167%0.665SS.*Hα-helixtrans-69.1-31.2176.952.50000112.6L631 N632 T638 G639L631-T635 PolarHBondContact O-N 3.03Å; L631-T635 PolarHBondContact O-OG1 2.93Å; N632-T635 WeakPolarHBondContact CA-OG1 3.39Å; N632-T635 PolarHBondContact O-N 2.95Å; N632-T635 PolarHBondContact O-OG1 3.3Å; T635-T638 WeakPolarHBondContact CA-OG1 3.43Å; T635-T638 PolarHBondContact O-N 3.15Å; T635-T638 PolarHBondContact O-OG1 3.46Å; T635-G639 PolarHBondContact O-N 3.42Å
636A70.2Confident65.4Low68 Ų68132.3 Ų132.356%0.56268%0.68SS**Hα-helixtrans-67.1-45.3173.200000111.4N632 L634 T638 G639N632-A636 WeakPolarHBondContact O-CB 3.41Å; N632-A636 PolarHBondContact O-N 3.14Å; L634-A636 VanDerWaalsContact C-N 3.33Å; L634-A636 PolarHBondContact O-N 2.7Å; A636-T638 PolarHBondContact O-N 3.44Å; A636-T638 VanDerWaalsContact O-N 3.07Å; A636-G639 PolarHBondContact O-N 3.04Å
637K62.9Low63Low170 Ų170127.5 Ų127.574%0.73969%0.685SS**THydrogen-bonded Turntrans-70.88.7174.1-85.7-151.2168.8-157.30115K633 L634K633-K637 PolarHBondContact O-N 3.05Å; K633-K637 VanDerWaalsContact O-N 3.15Å; L634-K637 PolarHBondContact O-N 3.26Å
638T58.6Low60.8Low113 Ų113133.6 Ų133.669%0.69370%0.702SS**THydrogen-bonded Turntrans-135.619.7178.347.90000113.2L634 T635 A636L634-T638 PolarHBondContact O-N 2.87Å; L634-T638 PolarHBondContact O-OG1 3.15Å; T635-T638 WeakPolarHBondContact CA-OG1 3.43Å; T635-T638 PolarHBondContact O-N 3.15Å; T635-T638 PolarHBondContact O-OG1 3.46Å; A636-T638 PolarHBondContact O-N 3.44Å; A636-T638 VanDerWaalsContact O-N 3.07Å
639G51.3Low58.3Low62 Ų62131.6 Ų131.664%0.63971%0.707SS**SBendtrans-125.316.5-170.400000116.8T635 A636T635-G639 PolarHBondContact O-N 3.42Å; A636-G639 PolarHBondContact O-N 3.04Å
640M46Very low56.1Low169 Ų169133.7 Ų133.783%0.83371%0.71SS**SBendtrans-118.5-11.6-176.4-68.5-166.76600115.8
641D44.6Very low53.9Low147 Ų147132.8 Ų132.879%0.78671%0.712SS**  trans-112.745.1-166.8-48.9-67.9000114.9
642E38.9Very low51.9Low196 Ų196135.5 Ų135.592%0.91673%0.727SS**  trans-137.158.7170.3-81.1-151.5142.400113.9
643E43.1Very low50.2Low182 Ų182134.3 Ų134.385%0.8574%0.737SS**  trans-148.2145159.4-126.1169.2-140.200112.8
644Q37.8Very low48.3Very low181 Ų181134.7 Ų134.785%0.84675%0.745SS**  trans60.1120.2-176-47.1-170.338.800115.7
645S37.3Very low46.4Very low99 Ų99135.8 Ų135.869%0.69276%0.758SS**  cis109.498.84.8101.40000117.6
646K38.8Very low44.9Very low212 Ų212137.4 Ų137.492%0.92277%0.768SS**  trans79.4116.5153-52.7166.2-175.91630119.8
647G39.6Very low43.5Very low72 Ų72138.7 Ų138.774%0.74277%0.773SS**  trans163.180.4162.100000109.8
648H40.3Very low42.3Very low190 Ų190137.7 Ų137.788%0.8878%0.776SS**  46.3110.7101-150.960.3000114.6
649S37.1Very low41.6Very low103 Ų103136.8 Ų136.872%0.7277%0.774SS**  trans-114146179.461.80000111.8
650K41.5Very low41.6Very low173 Ų173139.1 Ų139.175%0.75278%0.777SS**  trans-156.4114.6156.1-92.8-164.1165.5-170.40111.5
651D41.4Very low41.4Very low122 Ų122136.2 Ų136.265%0.65277%0.774SS**  61.5130.7127.6-40.1-24.4000122.2
652D42.7Very low41.1Very low166 Ų166135.2 Ų135.289%0.88877%0.773SS**  trans91.2139.3149.2-54.5-31.6000124.3
653G45.9Very low41.3Very low69 Ų69130.4 Ų130.471%0.71176%0.761SS**  trans87122.2170.500000117
654I44.7Very low41.2Very low161 Ų161127 Ų12783%0.82676%0.757SS**  cis78.2100.731.4-52.2178.5000112.5
655C37.9Very low41.6Very low112 Ų112123.8 Ų123.876%0.75775%0.746SS**  71140.675.9-140.70000113.1
656V41.7Very low41.8Very low118 Ų118129 Ų12972%0.71575%0.751SS**  cis-158.9156.836.8-147.90000113.5
657S42.3Very low41.7Very low95 Ų95124 Ų12466%0.66474%0.741SS**  trans19.5148.1146.865.80000126
658D37.9Very low41.6Very low150 Ų150125.7 Ų125.780%0.80274%0.741SS**  -140.7148129.2-102.1-33.5000109.1
659S42.2Very low41.6Very low94 Ų94121.1 Ų121.166%0.65774%0.736SS**  cis87.6162.646.8-51.60000113.1
660P52Low41.9Very low110 Ų110124.3 Ų124.371%0.71474%0.74SS**  cis-142.8162.8441.5-22.9000119.1
661S42Very low41.9Very low108 Ų108121.7 Ų121.776%0.75574%0.738SS**  trans62.8159.9141.373.40000121
662T38.1Very low42Very low126 Ų126119.4 Ų119.477%0.77374%0.744SS**  cis-15517118.444.40000110.7
663S43.3Very low41.8Very low95 Ų95118.2 Ų118.266%0.66474%0.737SS**  cis177.8148.9-34.362.80000111.7
664S40.7Very low41.6Very low110 Ų110123.2 Ų123.277%0.76974%0.74SS**  trans70.7151.7160.877.50000119.3
665D46.6Very low41.5Very low115 Ų115122.5 Ų122.562%0.61573%0.733SS**  cis-160.3154.4-0.7-135-12.1000113.6
666R40.3Very low41.6Very low209 Ų209127.9 Ų127.979%0.78974%0.737SS**  trans38.5153.1146.3-71.1162.6-142.2-124.10.6122.9
667C37.3Very low41.8Very low106 Ų106129.1 Ų129.172%0.71675%0.745SS**  cis-166.215110.7-131.80000115.6
668S38Very low41.7Very low107 Ų107133.7 Ų133.775%0.74875%0.753SS**  trans67.4136.5141.1-61.20000126.2
669A40.9Very low41.7Very low94 Ų94134 Ų13478%0.77776%0.755SS**  trans84151.4148.300000118.3
670E42.3Very low41.6Very low171 Ų171134.1 Ų134.180%0.79976%0.761SS**  cis-156.8-158.4-2.7-123.7-6496.600113.8
671V42.1Very low40.8Very low117 Ų117140.3 Ų140.371%0.70977%0.77SS**  trans-72.9151.8-170.4160.60000118.5
672G42.4Very low40.5Very low75 Ų75146.3 Ų146.377%0.77378%0.776SS**  trans-155.5-28.9172.600000120.6
673N38.8Very low40.5Very low140 Ų140144.9 Ų144.975%0.74978%0.778SS**  trans42.1108.5163.8-173.622.3000121.6
674K42.2Very low40.5Very low175 Ų175150.3 Ų150.376%0.76179%0.789SS**  -171.2136.5122.9-106.5165-176.5175.30117.1
675E42.2Very low40.6Very low146 Ų146149.3 Ų149.368%0.68279%0.787SS**  trans44.1108.4148.2-65.9177.9110.100120.3
676R40.8Very low40.3Very low225 Ų225151.8 Ų151.885%0.84980%0.8SS**  60.3118.892.3-73.9177.6162.2-168.1-4.6113
677T45.6Very low40.3Very low143 Ų143147.6 Ų147.688%0.87780%0.799SS**  -134.4166.359.948.10000114.8
678K39.5Very low40.2Very low192 Ų192148.3 Ų148.384%0.83581%0.806SS**  trans-102.5142.7-179.2-60.3178.7178.6-176.40111
679N38.5Very low40.4Very low157 Ų157148.9 Ų148.984%0.8481%0.81SS**  trans-154.897.6151.7-97.3-34.9000109.3
680A39.6Very low40.2Very low95 Ų95154.7 Ų154.779%0.78581%0.813SS**  trans-119.2113.9179.200000109.8
681W34.8Very low40.1Very low241 Ų241155 Ų15591%0.91382%0.815SS**  trans-103.781.3172.3-78.893.9000109.9
682R37Very low40.1Very low233 Ų233158.1 Ų158.188%0.87982%0.819SS**  trans-67.3139.8165.9-168.9-178.9-170.5-1553.7108.6
683A38.2Very low39.9Very low97 Ų97162.1 Ų162.180%0.80282%0.817SS**  trans-54.4140.1-179.300000112.7
684K43.2Very low40.1Very low209 Ų209167.4 Ų167.491%0.90983%0.826SS**  trans-121.7134.6159.2-76.4-167.4173.4-1720108.1
685A43.1Very low40.2Very low88 Ų88166.3 Ų166.373%0.72782%0.824SS**  trans-92.6-179.3-179.800000111.9
686L40.6Very low40Very low168 Ų168163.8 Ų163.888%0.8882%0.822SS**  trans79.2153.2171.5-47.7177.9000116.2
687P38.5Very low40.3Very low120 Ų120159 Ų15978%0.77982%0.823SS**  cis-115.8160.3-4.237.5-25.1000114.5
688S36.2Very low40.3Very low122 Ų122160.6 Ų160.685%0.85382%0.818SS**  trans-78.8129.31681750000111
689S41.1Very low40.5Very low118 Ų118163.5 Ų163.583%0.82582%0.823SS**  trans-171.568.2160.4-179.10000114.1
690Y37Very low41Very low217 Ų217164.8 Ų164.885%0.85182%0.822SS**  trans-15384.8150.7179.5-109.2000111.3
691E40.2Very low41Very low178 Ų178172.4 Ų172.483%0.83283%0.83SS**  trans-149.4107.5167-175.1163.1-149.600111.7
692K42.8Very low41.5Very low182 Ų182165.8 Ų165.879%0.79182%0.82SS**  trans174.1111.5150.9-94.8143.1-163.9165.30109.4
693H37.6Very low42Very low159 Ų159165.2 Ų165.274%0.73682%0.818SS**  trans-178.945.4134.4-101.8-73.3000113H695H693-H695 AromaticContact CE1-CE1 3.95Å; H693-H695 AromaticContact CE1-NE2 3.52Å; H693-H695 AromaticContact ND1-CD2 3.76Å; H693-H695 AromaticContact ND1-CE1 3.72Å; H693-H695 AromaticContact ND1-NE2 2.94Å; H693-H695 PolarHBondContact ND1-NE2 2.99Å
694R44.3Very low42Very low250 Ų250166.6 Ų166.694%0.94382%0.822SS**  trans-90.7103.2159.3-107.2-176.4173.4-178.8-1.1109.1
695H42.6Very low42.1Very low153 Ų153166.9 Ų166.971%0.70882%0.818SS**  trans-68.9133.8177-74.4-90.9000111.1H693 S697H693-H695 AromaticContact CE1-CE1 3.95Å; H693-H695 AromaticContact CE1-NE2 3.52Å; H693-H695 AromaticContact ND1-CD2 3.76Å; H693-H695 AromaticContact ND1-CE1 3.72Å; H693-H695 AromaticContact ND1-NE2 2.94Å; H693-H695 PolarHBondContact ND1-NE2 2.99Å; H695-S697 PolarHBondContact O-N 3.46Å
696S39.3Very low42.1Very low93 Ų93169.9 Ų169.965%0.6583%0.827SS**  trans-76.9108-173.766.20000112.7K698S696-K698 PolarHBondContact O-N 3.43Å; S696-K698 VanDerWaalsContact O-N 3.08Å
697S46.1Very low42.3Very low124 Ų124172.6 Ų172.687%0.86783%0.826SS**  trans-73.195.8162.4-74.70000109.9H695 R699H695-S697 PolarHBondContact O-N 3.46Å; S697-R699 PolarHBondContact O-N 3.29Å
698K46.8Very low42.4Very low176 Ų176172.2 Ų172.277%0.76583%0.826SS**  trans-64111.8-173.1-65.9174.6179.1176.10111.7S696 K700S696-K698 PolarHBondContact O-N 3.43Å; S696-K698 VanDerWaalsContact O-N 3.08Å; K698-K700 VanDerWaalsContact C-N 3.32Å; K698-K700 PolarHBondContact O-N 3.41Å
699R43Very low43Very low253 Ų253177.8 Ų177.896%0.95583%0.828SS**  trans-6388.6164.7-74.1178.780.1178.85109.7S697 R701S697-R699 PolarHBondContact O-N 3.29Å; R699-R701 PolarHBondContact O-N 2.94Å; R699-R701 VanDerWaalsContact O-N 3.16Å
700K48.8Very low43Very low185 Ų185178.6 Ų178.680%0.80482%0.818SS**  trans-69.5106.1170.8-84.8-173173179.50110K698 S702K698-K700 VanDerWaalsContact C-N 3.32Å; K698-K700 PolarHBondContact O-N 3.41Å; K700-S702 PolarHBondContact O-N 3.18Å
701R40.8Very low43.3Very low254 Ų254177.5 Ų177.596%0.95881%0.813SS**  trans-57.6113.5157.9-87.9177.7160.1149.6-7.1108.5R699R699-R701 PolarHBondContact O-N 2.94Å; R699-R701 VanDerWaalsContact O-N 3.16Å
702S44.7Very low43.5Very low102 Ų102176.6 Ų176.671%0.71381%0.813SS**  trans-130.980.1178-73.90000111.3K700K700-S702 PolarHBondContact O-N 3.18Å
703R46.5Very low43.6Very low221 Ų221172 Ų17283%0.83481%0.805SS**  trans20.1111.7155.9-69.9178.2164.7112.8-3.3117.1R705R703-R705 PolarHBondContact O-N 3.23Å
704S38.1Very low44.1Very low127 Ų127173.9 Ų173.989%0.88881%0.811SS**  trans-44.6125.415035.80000110.7
705R46.7Very low44.3Very low215 Ų215166.9 Ų166.981%0.81180%0.8SS**  trans-13996.9167.3-94.6-172.7165.3158.2-3.6109.3R703 R707R703-R705 PolarHBondContact O-N 3.23Å; R705-R707 PolarHBondContact O-N 3.32Å
706T42.6Very low44.7Very low150 Ų150169.2 Ų169.292%0.9281%0.808SS**  trans-51.4126.5162.3400000109.3
707R44.2Very low45.1Very low226 Ų226173.6 Ų173.685%0.85382%0.815SS**  trans-131.581.3171.8-115-176.2169.1-179.1-4.3110.1R705 R709R705-R707 PolarHBondContact O-N 3.32Å; R707-R709 PolarHBondContact O-N 2.87Å
708S42Very low45Very low111 Ų111179 Ų17978%0.77682%0.817SS**  trans-47.5128.3157.7175.60000109.1
709R47Very low44.9Very low239 Ų239176.4 Ų176.490%0.90282%0.821SS**  trans-110.1108.7164.1-86.3-173.5163.8175.8-4.6107.8R707R707-R709 PolarHBondContact O-N 2.87Å
710H42.2Very low45.1Very low135 Ų135175.3 Ų175.363%0.62582%0.817SS**  trans-79.2145.2-176.8-156.625.6000110
711R42.9Very low45Very low195 Ų195172.7 Ų172.774%0.73682%0.822SS**  trans40.6125157.9-69.8168178.4156.31.1118.3
712D44.7Very low45.3Very low158 Ų158171.5 Ų171.585%0.84582%0.817SS**  -154.5172.196.2-134.1-34.7000113.6
713S44.3Very low45.6Very low87 Ų87171.8 Ų171.861%0.60882%0.819SS**  trans-125.5131.4-159.7-44.90000113.9
714K48.6Very low46Very low197 Ų197170.4 Ų170.486%0.85782%0.819SS**  trans179.698.1151.5-91.8134.7-163.2165.50109.3
715S48.6Very low46.2Very low104 Ų104170.4 Ų170.473%0.72782%0.818SS**  67.1106.373.578.60000116.2
716K51.3Low46.3Very low202 Ų202171.9 Ų171.988%0.87882%0.823SS**  trans-166.1121.8145-109.4160.9-172175.70112.5
717K47.3Very low46.3Very low184 Ų184173.6 Ų173.680%0.882%0.821SS**  trans43.5117.9150.5-61.2-179.5-179.2-177.60118.4
718R43.5Very low46.5Very low238 Ų238172.6 Ų172.690%0.89882%0.823SS**  61.6131.778.9-71-177.8170-176.1-3.5112.1
719S45.8Very low46.6Very low122 Ų122178.4 Ų178.485%0.85383%0.827SS**  cis-142.2171.141.2-70.20000116
720R45.9Very low46.5Very low230 Ų230171.8 Ų171.887%0.86882%0.818SS**  trans-103155.9175.5-68.9170.3161.6144.2-6.9111.2
721S46.9Very low47Very low129 Ų129173.8 Ų173.890%0.90283%0.827SS**  trans-138.1150.2147.7-860000110.4
722R48Very low46.7Very low229 Ų229174.9 Ų174.986%0.86483%0.833SS**  trans-141.3133.7-175.8-64.3168.377.2179.27.3111.1
723S51.4Low47.2Very low108 Ų108179.2 Ų179.276%0.75584%0.837SS**  trans-156108156.6370000109.8
724K53.4Low47.3Very low192 Ų192185.7 Ų185.784%0.83585%0.85SS**  64.593.897.7-67.4173.4-178.7178.90111.4
725C42Very low47.3Very low127 Ų127184.9 Ų184.986%0.85887%0.869SS**  61.2111.869.2-53.70000114.8
726R48.8Very low47.3Very low246 Ų246188.9 Ų188.993%0.92888%0.876SS**  trans-157.5135.3140.8-123.6176.2178.9-172.1-1.1112.6
727H43.1Very low47.1Very low187 Ų187188.2 Ų188.287%0.86688%0.876SS**  trans-114.2134.9172.1-103.238.4000109.1
728K49.5Very low47Very low205 Ų205188.4 Ų188.489%0.89188%0.88SS**  trans-164.1127.2148-68.3-157.9178.2-171.80104.9
729R42.6Very low47.3Very low233 Ų233185.5 Ų185.588%0.87988%0.879SS**  cis77.9120.426.6-159.9177.1-173.4-176.52.6114.8
730S45.1Very low47.3Very low100 Ų100189.5 Ų189.570%0.69988%0.88SS**  trans70157.6172.184.20000116.7
731H52.3Low47.4Very low176 Ų176186.8 Ų186.882%0.81588%0.881SS**  cis-143.2155.39.6-123.7-66.9000112.8
732Y37.8Very low47.5Very low218 Ų218190.9 Ų190.986%0.85588%0.88SS**  trans-72.9141.2161.7-118.8-103.1000110.9
733R54.8Low47.4Very low249 Ų249188 Ų18894%0.9488%0.881SS**  trans-172160134.9-110175.3-174.7-164.40.1114.3
734Y46.2Very low47.1Very low224 Ų224194.7 Ų194.788%0.87889%0.891SS**  trans-58.9151179.5-97.6-113.1000114.8
735S49.7Very low46.5Very low179 Ų179194.9 Ų194.9100%1.25290%0.897SS**  -134.80112.6-173.70000109.4

Retrieved 735 of 735 residues in 340.1 ms (Link to these results)