A0A5K4F013_SCHMA Loading...

Sporozoite surface protein 2-like

AlphaFold DB , UniProt , Accession A0A5K4F013, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 409 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
1M31.3Very low28.4Very low240 Ų240144 Ų144100%1.18277%0.77SS**  098.70-78.6167.1104.400107.1
2V24.9Very low28.8Very low129 Ų129140.2 Ų140.278%0.78275%0.748SS**  trans-109.389.8171.61780000104.8
3T26.5Very low29.2Very low128 Ų128138.5 Ų138.579%0.78574%0.737SS**  trans-88.695.3152.9430000104.2C5T3-C5 PolarHBondContact O-N 3.43Å
4C24.7Very low29.5Very low99 Ų99136 Ų13667%0.66972%0.723SS**  trans-43.8113.8156.5-62.70000106S6C4-S6 PolarHBondContact O-N 3.1Å
5C27.4Very low29.8Very low117 Ų117133.9 Ų133.979%0.79171%0.711SS**  trans-66.765153.8-66.40000106T3 F7T3-C5 PolarHBondContact O-N 3.43Å; C5-F7 VanDerWaalsContact C-N 3.33Å; C5-F7 PolarHBondContact O-N 3.19Å
6S25.7Very low30.1Very low88 Ų88129.4 Ų129.462%0.61569%0.69SS**  trans-48107.6160.7164.60000103.5C4 F8C4-S6 PolarHBondContact O-N 3.1Å; S6-F8 WeakPolarHBondContact O-CA 3.44Å; S6-F8 PolarHBondContact O-N 3.04Å
7F29.4Very low30.3Very low187 Ų187125.3 Ų125.382%0.8267%0.674SS**  trans11.979.9163.6-64.1-86000108.7C5 N9C5-F7 VanDerWaalsContact C-N 3.33Å; C5-F7 PolarHBondContact O-N 3.19Å; F7-N9 WeakPolarHBondContact O-CA 3.49Å; F7-N9 PolarHBondContact O-N 3.46Å
8F29.5Very low30.4Very low180 Ų180122.1 Ų122.179%0.78966%0.659SS**  trans-46.5107177.1-148.5-90.3000101.3S6 I10S6-F8 WeakPolarHBondContact O-CA 3.44Å; S6-F8 PolarHBondContact O-N 3.04Å; F8-I10 WeakPolarHBondContact O-CG1 3.38Å; F8-I10 PolarHBondContact O-N 2.84Å
9N28Very low30.4Very low126 Ų126122 Ų12267%0.67466%0.659SS**  trans-50.3109-177.4-93-40.7000100.6F7 F11F7-N9 WeakPolarHBondContact O-CA 3.49Å; F7-N9 PolarHBondContact O-N 3.46Å; N9-F11 HydrophobicContact CB-CD2 3.89Å; N9-F11 HydrophobicContact CB-CE2 4.38Å; N9-F11 PolarHBondContact O-N 3.02Å
10I33.2Very low30.3Very low121 Ų121125.7 Ų125.762%0.62166%0.664SS**  trans-73.973173.9-56.4174.800099.8F8 I12F8-I10 WeakPolarHBondContact O-CG1 3.38Å; F8-I10 PolarHBondContact O-N 2.84Å; I10-I12 HydrophobicContact CG2-CG1 3.7Å; I10-I12 PolarHBondContact O-N 2.91Å
11F31.9Very low30.2Very low169 Ų169123.8 Ų123.874%0.74166%0.658SS**  trans-49.188.8138.3-93.1-86.5000101.4N9 I13N9-F11 HydrophobicContact CB-CD2 3.89Å; N9-F11 HydrophobicContact CB-CE2 4.38Å; N9-F11 PolarHBondContact O-N 3.02Å; F11-I13 HydrophobicContact CB-CG1 4.49Å; F11-I13 PolarHBondContact O-N 3.23Å
12I32.8Very low30.1Very low98 Ų98122.4 Ų122.450%0.50365%0.645SS.*  trans-53.592.5154.6-63174.4000100.4I10 L14 I32I10-I12 HydrophobicContact CG2-CG1 3.7Å; I10-I12 PolarHBondContact O-N 2.91Å; I12-L14 HydrophobicContact CG2-CD1 4.35Å; I12-L14 HydrophobicContact CG2-CG 4.21Å; I12-L14 PolarHBondContact O-N 3.24Å; I12-I32 HydrophobicContact CG2-CG2 4.12Å
13I34.3Very low30.5Very low119 Ų119122.1 Ų122.161%0.6165%0.647SS**  trans-66.788.8168.2-56.1178.7000100.9F11 L15F11-I13 HydrophobicContact CB-CG1 4.49Å; F11-I13 PolarHBondContact O-N 3.23Å; I13-L15 HydrophobicContact CG2-CD1 4.42Å; I13-L15 HydrophobicContact CG2-CG 3.82Å; I13-L15 PolarHBondContact O-N 3.5Å
14L33.3Very low30.6Very low103 Ų103122.5 Ų122.554%0.53964%0.642SS.*  trans-63.379163.3-113.2150.1000103.1I12 V16 I32I12-L14 HydrophobicContact CG2-CD1 4.35Å; I12-L14 HydrophobicContact CG2-CG 4.21Å; I12-L14 PolarHBondContact O-N 3.24Å; L14-V16 HydrophobicContact CB-CG2 4.12Å; L14-V16 HydrophobicContact CD2-CG2 3.4Å; L14-V16 HydrophobicContact CG-CG2 4.38Å; L14-V16 PolarHBondContact O-N 3.02Å; L14-I32 HydrophobicContact CD2-CD1 4.1Å; L14-I32 HydrophobicContact CD2-CG1 3.98Å; L14-I32 HydrophobicContact CG-CG1 4.48Å
15L34.4Very low31.2Very low105 Ų105123.1 Ų123.155%0.5565%0.647SS.*  trans-64.873.8157.4-83.6162.8000104.4I13 S17I13-L15 HydrophobicContact CG2-CD1 4.42Å; I13-L15 HydrophobicContact CG2-CG 3.82Å; I13-L15 PolarHBondContact O-N 3.5Å; L15-S17 PolarHBondContact O-N 3.42Å
16V34.3Very low31.6Very low61 Ų61120.4 Ų120.437%0.3763%0.625SS.*  trans-67.884159.3-170.30000103.2L14 V18 I28L14-V16 HydrophobicContact CB-CG2 4.12Å; L14-V16 HydrophobicContact CD2-CG2 3.4Å; L14-V16 HydrophobicContact CG-CG2 4.38Å; L14-V16 PolarHBondContact O-N 3.02Å; V16-V18 HydrophobicContact CB-CG2 4.27Å; V16-V18 HydrophobicContact CG1-CG2 3.5Å; V16-V18 PolarHBondContact O-N 3.41Å; V16-I28 HydrophobicContact CG1-CG2 3.56Å
17S33.3Very low32Very low60 Ų60117.4 Ų117.442%0.4261%0.605SS.*  trans-63.187.4158.847.80000104.9L15 D19L15-S17 PolarHBondContact O-N 3.42Å; S17-D19 PolarHBondContact O-N 2.87Å
18V32.5Very low32.3Very low67 Ų67111.6 Ų111.641%0.40658%0.582SS.*  trans-69.681.1168.7-172.20000105V16 Y20V16-V18 HydrophobicContact CB-CG2 4.27Å; V16-V18 HydrophobicContact CG1-CG2 3.5Å; V16-V18 PolarHBondContact O-N 3.41Å; V18-Y20 HydrophobicContact CB-CD2 4.33Å; V18-Y20 HydrophobicContact CG1-CD2 3.35Å; V18-Y20 HydrophobicContact CG1-CE2 3.7Å; V18-Y20 HydrophobicContact CG1-CG 4.21Å; V18-Y20 PolarHBondContact O-N 3.25Å
19D30.8Very low32.7Very low121 Ų121105.4 Ų105.465%0.64756%0.561SS**  trans-65.291.8159.9-90.7-22.8000105.3S17 T21S17-D19 PolarHBondContact O-N 2.87Å; D19-T21 PolarHBondContact O-N 3.38Å
20Y27.4Very low33.4Very low196 Ų196100.2 Ų100.277%0.76954%0.538SS*.  trans-62.677.7172.5-114.7-84.4000107.6V18 K22V18-Y20 HydrophobicContact CB-CD2 4.33Å; V18-Y20 HydrophobicContact CG1-CD2 3.35Å; V18-Y20 HydrophobicContact CG1-CE2 3.7Å; V18-Y20 HydrophobicContact CG1-CG 4.21Å; V18-Y20 PolarHBondContact O-N 3.25Å; Y20-K22 PolarHBondContact O-N 3.02Å
21T29.1Very low33.8Very low86 Ų86100.9 Ų100.953%0.52853%0.532SS..  trans-67.8105.5165.6490000105.7D19 C23 M24D19-T21 PolarHBondContact O-N 3.38Å; T21-C23 PolarHBondContact O-N 3.02Å; T21-M24 PolarHBondContact O-N 2.81Å
22K29.5Very low34.4Very low210 Ų21094.8 Ų94.891%0.91351%0.507SS*.THydrogen-bonded Turntrans-49.8-5.5-178.8-85.5-177.3171.8179.70115.5Y20Y20-K22 PolarHBondContact O-N 3.02Å
23C32Very low34.8Very low123 Ų12393.7 Ų93.783%0.83150%0.499SS*.THydrogen-bonded Turntrans-99.1-8.3-173.7-620000115.1T21T21-C23 PolarHBondContact O-N 3.02Å
24M29.4Very low35.3Very low137 Ų13791.4 Ų91.468%0.67549%0.487SS*.  trans-141.497.6176.7-73.1-159.9148.200111.5T21 N26 A27T21-M24 PolarHBondContact O-N 2.81Å; M24-N26 PolarHBondContact O-N 2.97Å; M24-A27 HydrophobicContact CB-CB 4.17Å
25S36.2Very low35.6Very low111 Ų11190.7 Ų90.778%0.77649%0.488SS*.THydrogen-bonded Turntrans-60.3-17.1-173.265.10000115.2
26N35.8Very low36.2Very low60 Ų6090.6 Ų90.632%0.32149%0.492SS..THydrogen-bonded Turntrans-123.77.7-169.2-623.3000114.1M24 V50 L51 W52M24-N26 PolarHBondContact O-N 2.97Å; N26-V50 WeakPolarHBondContact O-CA 3.32Å; N26-L51 PolarHBondContact O-N 3.41Å; N26-W52 PolarHBondContact ND2-NE1 2.9Å
27A35.3Very low36.2Very low25 Ų2591.4 Ų91.421%0.20750%0.5CS..EExtended strand (participates in β ladder)trans-110.4107.3-17800000110.9M24M24-A27 HydrophobicContact CB-CB 4.17Å
28I35.2Very low36.8Very low65 Ų6599.5 Ų99.533%0.33353%0.528SS..EExtended strand (participates in β ladder)trans-92.5108.3169.1-59.1172000107.1V16 I49 L51V16-I28 HydrophobicContact CG1-CG2 3.56Å; I28-I49 PolarHBondContact N-O 3.44Å; I28-I49 PolarHBondContact O-N 3.2Å; I28-L51 HydrophobicContact CD1-CD1 4.03Å
29S38.9Very low36.9Very low51 Ų51100.2 Ų100.236%0.35755%0.549SS..EExtended strand (participates in β ladder)trans-90.6127.4161.761.60000108.6
30G42.2Very low37Very low17 Ų1796.5 Ų96.518%0.17554%0.535CS..EExtended strand (participates in β ladder)trans-136.3151.8178.700000111.6Y46G30-Y46 PolarHBondContact O-N 3.41Å
31R41.6Very low37.4Very low135 Ų13594.6 Ų94.651%0.50953%0.528SS..EExtended strand (participates in β ladder)trans-105.6123.1168.8-79.6-176.8172.1166.13.4109.1F33 D45R31-F33 HydrophobicContact CB-CE2 4.03Å; R31-F33 HydrophobicContact CB-CZ 4.36Å; R31-D45 WeakPolarHBondContact CG-OD1 3.43Å; R31-D45 IonicContact CZ-OD1 3.7Å; R31-D45 IonicContact NE-OD1 2.8Å; R31-D45 PolarHBondContact NE-OD1 2.85Å; R31-D45 IonicContact NH2-OD1 3.75Å
32I44.6Very low37.8Very low41 Ų4192.6 Ų92.621%0.2152%0.52CS..EExtended strand (participates in β ladder)trans-93125.7171.2-58.9175.3000107.9I12 L14 I34 T43 L44I12-I32 HydrophobicContact CG2-CG2 4.12Å; L14-I32 HydrophobicContact CD2-CD1 4.1Å; L14-I32 HydrophobicContact CD2-CG1 3.98Å; L14-I32 HydrophobicContact CG-CG1 4.48Å; I32-I34 HydrophobicContact CG2-CG1 4.08Å; I32-T43 WeakPolarHBondContact O-CA 3.37Å; I32-L44 PolarHBondContact N-O 2.83Å; I32-L44 PolarHBondContact O-N 3.07Å; I32-L44 VanDerWaalsContact O-N 3.09Å
33F41.5Very low38.3Very low74 Ų7486 Ų8633%0.32550%0.497SS..EExtended strand (participates in β ladder)trans-97.9110.7172.9-64-91.6000108.8R31 P35 Y41 T43R31-F33 HydrophobicContact CB-CE2 4.03Å; R31-F33 HydrophobicContact CB-CZ 4.36Å; F33-P35 WeakPolarHBondContact O-CD 3.43Å; F33-Y41 AromaticContact CD1-CD2 3.61Å; F33-Y41 HydrophobicContact CD1-CD2 3.61Å; F33-Y41 AromaticContact CD1-CE2 3.95Å; F33-Y41 HydrophobicContact CD1-CE2 3.95Å; F33-Y41 HydrophobicContact CD1-CG 4.2Å; F33-Y41 HydrophobicContact CE1-CD2 4.12Å; F33-Y41 AromaticContact CE1-CE2 3.99Å; F33-Y41 HydrophobicContact CE1-CE2 3.99Å; F33-T43 HydrophobicContact CD1-CG2 3.61Å; F33-T43 HydrophobicContact CE1-CG2 3.56Å; F33-T43 HydrophobicContact CZ-CG2 4.47Å
34I44.7Very low38.7Very low72 Ų7285 Ų8537%0.36948%0.483SS..EExtended strand (participates in β ladder)trans-97.3111175.2-58.1176000107.5I32 V36 Y41 A42 L44I32-I34 HydrophobicContact CG2-CG1 4.08Å; I34-V36 PolarHBondContact O-N 3.28Å; I34-Y41 CarbonylContact O-C 3.48Å; I34-Y41 WeakPolarHBondContact O-CA 3.32Å; I34-A42 HydrophobicContact CB-CB 4.43Å; I34-A42 PolarHBondContact N-O 2.88Å; I34-A42 PolarHBondContact O-N 3.49Å; I34-L44 HydrophobicContact CD1-CD1 3.78Å
35P38.9Very low39.3Very low87 Ų8783.7 Ų83.757%0.56548%0.479SS*.EExtended strand (participates in β ladder)trans-65123.7172.626.7-31.5000109.2F33F33-P35 WeakPolarHBondContact O-CD 3.43Å
36V47.5Very low39.6Very low104 Ų10483.4 Ų83.463%0.6346%0.462SS*.EExtended strand (participates in β ladder)trans-99.4-34.5178.3-176.70000110.4I34 A40 A42I34-V36 PolarHBondContact O-N 3.28Å; V36-A40 PolarHBondContact N-O 3.27Å; V36-A42 HydrophobicContact CG2-CB 3.91Å
37S34.5Very low40Very low77 Ų7783 Ų8354%0.53846%0.462SS..EExtended strand (participates in β ladder)trans-161.7176.1175.7660000111G39 A40S37-G39 PolarHBondContact O-N 3.26Å; S37-A40 PolarHBondContact N-O 2.97Å; S37-A40 PolarHBondContact O-N 3.47Å
38F45.4Very low40.1Very low230 Ų23087.4 Ų87.4100%1.00948%0.477SS*.THydrogen-bonded Turntrans-52.9102176.4-88.6-86.3000111.3
39G34.7Very low39.9Very low82 Ų8287.6 Ų87.685%0.84548%0.478SS*.THydrogen-bonded Turntrans91.4-2.2178.400000116.1S37S37-G39 PolarHBondContact O-N 3.26Å
40A33.6Very low39.5Very low43 Ų4387.5 Ų87.536%0.35548%0.475SS..EExtended strand (participates in β ladder)trans-116131.4177.200000111.6V36 S37V36-A40 PolarHBondContact N-O 3.27Å; S37-A40 PolarHBondContact N-O 2.97Å; S37-A40 PolarHBondContact O-N 3.47Å
41Y34.1Very low38.9Very low157 Ų15792 Ų9262%0.61649%0.494SS*.EExtended strand (participates in β ladder)trans-128141.6176.150.2-92.7000110.6F33 I34 T43F33-Y41 AromaticContact CD1-CD2 3.61Å; F33-Y41 HydrophobicContact CD1-CD2 3.61Å; F33-Y41 AromaticContact CD1-CE2 3.95Å; F33-Y41 HydrophobicContact CD1-CE2 3.95Å; F33-Y41 HydrophobicContact CD1-CG 4.2Å; F33-Y41 HydrophobicContact CE1-CD2 4.12Å; F33-Y41 AromaticContact CE1-CE2 3.99Å; F33-Y41 HydrophobicContact CE1-CE2 3.99Å; I34-Y41 CarbonylContact O-C 3.48Å; I34-Y41 WeakPolarHBondContact O-CA 3.32Å; Y41-T43 HydrophobicContact CD2-CG2 3.82Å; Y41-T43 HydrophobicContact CE2-CG2 4.04Å
42A38.5Very low38.1Very low43 Ų4393.7 Ų93.736%0.35550%0.501SS..EExtended strand (participates in β ladder)trans-91.8133.1165.800000108.7I34 V36I34-A42 HydrophobicContact CB-CB 4.43Å; I34-A42 PolarHBondContact N-O 2.88Å; I34-A42 PolarHBondContact O-N 3.49Å; V36-A42 HydrophobicContact CG2-CB 3.91Å
43T39.8Very low37.2Very low71 Ų7196 Ų9644%0.43654%0.535SS..EExtended strand (participates in β ladder)trans-103.9127.9174.754.80000110.1I32 F33 Y41I32-T43 WeakPolarHBondContact O-CA 3.37Å; F33-T43 HydrophobicContact CD1-CG2 3.61Å; F33-T43 HydrophobicContact CE1-CG2 3.56Å; F33-T43 HydrophobicContact CZ-CG2 4.47Å; Y41-T43 HydrophobicContact CD2-CG2 3.82Å; Y41-T43 HydrophobicContact CE2-CG2 4.04Å
44L40.4Very low36.4Very low103 Ų10396.1 Ų96.154%0.53956%0.557SS.*EExtended strand (participates in β ladder)trans-110.1114.1167.8-75.7161.9000108.4I32 I34 Y46I32-L44 PolarHBondContact N-O 2.83Å; I32-L44 PolarHBondContact O-N 3.07Å; I32-L44 VanDerWaalsContact O-N 3.09Å; I34-L44 HydrophobicContact CD1-CD1 3.78Å; L44-Y46 PolarHBondContact O-N 2.97Å
45D42.5Very low35.6Very low110 Ų11097.3 Ų97.359%0.58856%0.564SS**EExtended strand (participates in β ladder)trans-72.4110165.4-71.2-36.7000107.1R31R31-D45 WeakPolarHBondContact CG-OD1 3.43Å; R31-D45 IonicContact CZ-OD1 3.7Å; R31-D45 IonicContact NE-OD1 2.8Å; R31-D45 PolarHBondContact NE-OD1 2.85Å; R31-D45 IonicContact NH2-OD1 3.75Å
46Y42Very low35.1Very low105 Ų105100 Ų10041%0.41257%0.572SS.*EExtended strand (participates in β ladder)trans-83125.9173.2-150.5-89.2000108.7G30 L44 F48 I49G30-Y46 PolarHBondContact O-N 3.41Å; L44-Y46 PolarHBondContact O-N 2.97Å; Y46-F48 PolarHBondContact O-N 2.84Å; Y46-F48 VanDerWaalsContact O-N 3.17Å; Y46-I49 HydrophobicContact CD1-CD1 4.35Å; Y46-I49 HydrophobicContact CD1-CG1 3.91Å; Y46-I49 HydrophobicContact CE1-CD1 4.39Å; Y46-I49 HydrophobicContact CE1-CG1 3.96Å
47P44.4Very low34.1Very low51 Ų51101.7 Ų101.733%0.33157%0.568SS.*EExtended strand (participates in β ladder)trans-70.5116.8175.231-33.7000108.3P59P47-P59 HydrophobicContact CB-CG 3.52Å; P47-P59 HydrophobicContact CG-CG 4.03Å
48F36.8Very low33.8Very low117 Ų117106.9 Ų106.951%0.51358%0.576SS.*EExtended strand (participates in β ladder)trans14.2106.5168.5-34.3-80.6000115.3Y46 V50Y46-F48 PolarHBondContact O-N 2.84Å; Y46-F48 VanDerWaalsContact O-N 3.17Å; F48-V50 HydrophobicContact CB-CG2 4.32Å; F48-V50 PolarHBondContact O-N 3.25Å
49I32.4Very low33Very low69 Ų6999 Ų9935%0.35455%0.547SS..EExtended strand (participates in β ladder)trans-79.8102.4162.2-58.3174.4000105.6I28 Y46 L51I28-I49 PolarHBondContact N-O 3.44Å; I28-I49 PolarHBondContact O-N 3.2Å; Y46-I49 HydrophobicContact CD1-CD1 4.35Å; Y46-I49 HydrophobicContact CD1-CG1 3.91Å; Y46-I49 HydrophobicContact CE1-CD1 4.39Å; Y46-I49 HydrophobicContact CE1-CG1 3.96Å; I49-L51 HydrophobicContact CG2-CG 4.28Å; I49-L51 PolarHBondContact O-N 3Å
50V29.8Very low32.8Very low49 Ų49104.4 Ų104.430%0.29754%0.544SS..EExtended strand (participates in β ladder)trans-82.7101.6172.1175.10000106.8N26 F48 W52N26-V50 WeakPolarHBondContact O-CA 3.32Å; F48-V50 HydrophobicContact CB-CG2 4.32Å; F48-V50 PolarHBondContact O-N 3.25Å; V50-W52 VanDerWaalsContact C-N 3.31Å; V50-W52 HydrophobicContact CG1-CG 4.16Å; V50-W52 PolarHBondContact O-N 3.31Å
51L28.4Very low32.5Very low112 Ų112111.9 Ų111.959%0.58657%0.568SS**EExtended strand (participates in β ladder)trans-76.585.3174.6-77.9159.6000108.2N26 I28 I49N26-L51 PolarHBondContact O-N 3.41Å; I28-L51 HydrophobicContact CD1-CD1 4.03Å; I49-L51 HydrophobicContact CG2-CG 4.28Å; I49-L51 PolarHBondContact O-N 3Å
52W26.6Very low32Very low171 Ų171113.2 Ų113.265%0.64858%0.577SS**EExtended strand (participates in β ladder)trans-108.6111.7163.6-88.662.8000107.8N26 V50 G54 D55N26-W52 PolarHBondContact ND2-NE1 2.9Å; V50-W52 VanDerWaalsContact C-N 3.31Å; V50-W52 HydrophobicContact CG1-CG 4.16Å; V50-W52 PolarHBondContact O-N 3.31Å; W52-G54 VanDerWaalsContact C-N 3.27Å; W52-G54 PolarHBondContact O-N 2.93Å; W52-D55 PolarHBondContact O-N 2.73Å
53G25.1Very low31.4Very low89 Ų89116.5 Ų116.592%0.91860%0.595SS**THydrogen-bonded Turntrans57.323.515600000118.7
54G25Very low30.6Very low76 Ų76121.9 Ų121.978%0.78461%0.613SS**THydrogen-bonded Turntrans102-2.3174.200000116.2W52W52-G54 VanDerWaalsContact C-N 3.27Å; W52-G54 PolarHBondContact O-N 2.93Å
55D27.2Very low29.8Very low98 Ų98127 Ų12752%0.52463%0.627SS.*EExtended strand (participates in β ladder)trans-111.5132.3-178.8-70.4-35.4000112.5W52 Y57W52-D55 PolarHBondContact O-N 2.73Å; D55-Y57 HydrophobicContact CB-CD2 4.25Å; D55-Y57 HydrophobicContact CB-CE2 3.43Å; D55-Y57 VanDerWaalsContact CB-CE2 3.43Å; D55-Y57 WeakPolarHBondContact O-CD2 3.31Å; D55-Y57 PolarHBondContact OD2-OH 3.35Å
56I27.5Very low28.8Very low143 Ų143131.3 Ų131.373%0.73364%0.636SS**EExtended strand (participates in β ladder)trans-90.5104.2179.9-58.9171.7000109.2
57Y28.3Very low27.8Very low139 Ų139136.3 Ų136.355%0.54566%0.655SS.*PPolyproline II helixtrans-93.4118.6177.2-63.7-84.9000111.4D55D55-Y57 HydrophobicContact CB-CD2 4.25Å; D55-Y57 HydrophobicContact CB-CE2 3.43Å; D55-Y57 VanDerWaalsContact CB-CE2 3.43Å; D55-Y57 WeakPolarHBondContact O-CD2 3.31Å; D55-Y57 PolarHBondContact OD2-OH 3.35Å
58R27.8Very low26.8Very low186 Ų186141.1 Ų141.170%0.70268%0.679SS**PPolyproline II helixtrans-90122171.1-159.3-179.4-167.4-177.87.1108.9Y60R58-Y60 PolarHBondContact O-N 3.42Å
59P28.1Very low26.3Very low64 Ų64144 Ų14442%0.41669%0.691SS.*PPolyproline II helixtrans-65.3124.6175.623.3-30.2000109.9P47 K61P47-P59 HydrophobicContact CB-CG 3.52Å; P47-P59 HydrophobicContact CG-CG 4.03Å; P59-K61 PolarHBondContact O-N 3.02Å
60Y30.1Very low26Very low197 Ų197150 Ų15077%0.77371%0.71SS**PPolyproline II helixtrans-59.6125.1-177.3-84.9-94.3000111.1R58 K62R58-Y60 PolarHBondContact O-N 3.42Å; Y60-K62 PolarHBondContact O-N 2.93Å
61K28.4Very low25.7Very low199 Ų199157.2 Ų157.287%0.86574%0.738SS**SBendtrans-61.1120.9172-110.8177.8176.6176.20110P59P59-K61 PolarHBondContact O-N 3.02Å
62K23.5Very low25.5Very low185 Ų185157.4 Ų157.480%0.80474%0.739SS**  trans62.7123.4160.5-94.1178.9173.7178.10117.8Y60 F64Y60-K62 PolarHBondContact O-N 2.93Å; K62-F64 PolarHBondContact O-N 3.13Å
63P26Very low25.5Very low112 Ų112156.3 Ų156.373%0.72775%0.746SS**  trans-66121167.527.2-31000109.4Y65P63-Y65 PolarHBondContact O-N 3.26Å; P63-Y65 VanDerWaalsContact O-N 3.11Å
64F23.3Very low25.4Very low184 Ų184160 Ų16081%0.80774%0.739SS**  trans-64.2109.7162.3-82.1-94.6000107.3K62 Y66K62-F64 PolarHBondContact O-N 3.13Å; F64-Y66 HydrophobicContact CB-CD2 4.26Å; F64-Y66 PolarHBondContact O-N 3.24Å
65Y21.7Very low25.3Very low212 Ų212163.6 Ų163.683%0.83174%0.74SS**  trans-64.491160.4-90.1-96.6000107.1P63 Y67P63-Y65 PolarHBondContact O-N 3.26Å; P63-Y65 VanDerWaalsContact O-N 3.11Å; Y65-Y67 PolarHBondContact O-N 3.43Å
66Y21.6Very low25.1Very low200 Ų200168.4 Ų168.478%0.78475%0.753SS**  trans-70.3106.4163.3-107.8-95.5000107F64 N68F64-Y66 HydrophobicContact CB-CD2 4.26Å; F64-Y66 PolarHBondContact O-N 3.24Å; Y66-N68 PolarHBondContact O-N 3.33Å
67Y21.6Very low24.9Very low209 Ų209171.6 Ų171.682%0.8276%0.757SS**  trans-64.498.6169.8-123.4-97.9000107.2Y65 K69Y65-Y67 PolarHBondContact O-N 3.43Å; Y67-K69 VanDerWaalsContact C-N 3.33Å; Y67-K69 PolarHBondContact O-N 3.44Å
68N23.6Very low24.5Very low153 Ų153176.2 Ų176.282%0.81878%0.775SS**  trans-58.692.9171.9-85.7-19.8000109.5Y66Y66-N68 PolarHBondContact O-N 3.33Å
69K27.1Very low24.2Very low178 Ų178176.8 Ų176.877%0.77478%0.779SS**  trans-118.80.7167.1-128.8-175.7-176.2-175.50113.7Y67Y67-K69 VanDerWaalsContact C-N 3.33Å; Y67-K69 PolarHBondContact O-N 3.44Å
70Y25.7Very low23.9Very low193 Ų193178.1 Ų178.176%0.75779%0.79SS**  trans-119.3101.1176.7-66.3-80.5000109D72Y70-D72 PolarHBondContact O-N 3.28Å
71K24Very low23.6Very low202 Ų202176.2 Ų176.288%0.87879%0.793SS**  trans-68.572.4159.2-78.6179.8169.8-178.40107.3
72D24Very low23.3Very low116 Ų116176.6 Ų176.662%0.6279%0.79SS**  trans-94113.8171.1-77-24.2000108.8Y70 H74Y70-D72 PolarHBondContact O-N 3.28Å; D72-H74 PolarHBondContact O-N 3.32Å
73N26.2Very low23.5Very low148 Ų148174.5 Ų174.579%0.79179%0.788SS**  trans-6642.9-174-74-25.7000114.2N75N73-N75 PolarHBondContact O-N 3.19Å
74H23.6Very low23.3Very low166 Ų166174.4 Ų174.477%0.76979%0.79SS**  trans-95.970.4178.5-65.8-42.7000111.5D72 Y76D72-H74 PolarHBondContact O-N 3.32Å; H74-Y76 PolarHBondContact O-N 3.37Å
75N22.2Very low23.3Very low151 Ų151173.5 Ų173.581%0.80779%0.788SS**  trans-81.282.3160.6-86-16.5000109.6N73N73-N75 PolarHBondContact O-N 3.19Å
76Y22.2Very low23.3Very low200 Ų200169.5 Ų169.578%0.78479%0.788SS**  trans-154.888164.7-75.6-73000111.4H74H74-Y76 PolarHBondContact O-N 3.37Å
77Y23Very low23.4Very low209 Ų209166.1 Ų166.182%0.8279%0.788SS**  trans-145.593.2144.5-77.8-68.6000109.1Y79Y77-Y79 PolarHBondContact O-N 3.36Å
78Y20.5Very low23.5Very low236 Ų236161.8 Ų161.893%0.92578%0.783SS**  trans-64.5106.2159.9-123.2-98.8000106.7S80Y78-S80 PolarHBondContact O-N 3.16Å
79Y22.3Very low23.4Very low199 Ų199160 Ų16078%0.7878%0.783SS**  trans-84.5112.3167.8-84.5-89.2000108.2Y77 N81Y77-Y79 PolarHBondContact O-N 3.36Å; Y79-N81 PolarHBondContact O-N 2.88Å
80S21.8Very low23.3Very low92 Ų92157 Ų15764%0.64378%0.779SS**  trans-55.5122.5168.5-62.60000109.1Y78 Y82Y78-S80 PolarHBondContact O-N 3.16Å; S80-Y82 VanDerWaalsContact C-N 3.33Å; S80-Y82 WeakPolarHBondContact O-CD2 3.31Å; S80-Y82 PolarHBondContact O-N 3.18Å
81N23.5Very low22.9Very low157 Ų157151.2 Ų151.284%0.8478%0.778SS**  trans-63.892.5177.1-142.40000108.2Y79 N83Y79-N81 PolarHBondContact O-N 2.88Å; N81-N83 PolarHBondContact O-N 2.9Å
82Y22.7Very low22.9Very low207 Ų207151.3 Ų151.381%0.81277%0.774SS**  trans-75.764.2170.6-87-89.4000109.3S80S80-Y82 VanDerWaalsContact C-N 3.33Å; S80-Y82 WeakPolarHBondContact O-CD2 3.31Å; S80-Y82 PolarHBondContact O-N 3.18Å
83N27.1Very low22.8Very low140 Ų140151.5 Ų151.575%0.74979%0.785SS**  trans-114.586.6146.3-88.5-17.3000105.4N81 Q85N81-N83 PolarHBondContact O-N 2.9Å; N83-Q85 VanDerWaalsContact C-N 3.3Å; N83-Q85 PolarHBondContact O-N 3.11Å
84S22.7Very low22.8Very low110 Ų110149.7 Ų149.777%0.76978%0.784SS**  trans-47.492167.147.70000110.2
85Q22.5Very low22.8Very low165 Ų165148.2 Ų148.277%0.77179%0.789SS**  trans-83.3132148.5-76.7-153.8-18.700107.9N83 V87N83-Q85 VanDerWaalsContact C-N 3.3Å; N83-Q85 PolarHBondContact O-N 3.11Å; Q85-V87 PolarHBondContact O-N 3.26Å
86P21.9Very low22.9Very low128 Ų128145.6 Ų145.683%0.83178%0.782SS**  trans-74.695.4-17929.9-31.5000108.7
87V24.2Very low23Very low129 Ų129141.6 Ų141.678%0.78278%0.784SS**  trans-90.2112.8174.1-176.90000108.8Q85Q85-V87 PolarHBondContact O-N 3.26Å
88V22.6Very low22.9Very low118 Ų118141.9 Ų141.972%0.71579%0.785SS**  trans-35.5140.2170.5179.60000113.1T90V88-T90 PolarHBondContact O-N 3.23Å; V88-T90 VanDerWaalsContact O-N 3.1Å
89S21.3Very low23.1Very low117 Ų117139 Ų13982%0.81878%0.777SS**  trans-64.9102.3-177.559.50000112.7
90T24.7Very low23.1Very low113 Ų113137.5 Ų137.569%0.69378%0.783SS**  trans-100.2101.916248.80000108.8V88 Y92V88-T90 PolarHBondContact O-N 3.23Å; V88-T90 VanDerWaalsContact O-N 3.1Å; T90-Y92 PolarHBondContact O-N 3.07Å
91G18.9Very low23.2Very low72 Ų72142.8 Ų142.874%0.74279%0.79SS**  trans-60.7114.6171.400000110.4
92Y23.6Very low23.1Very low204 Ų204138.9 Ų138.980%0.879%0.786SS**  trans-131101.7158-79.4-78.7000107.9T90 S94T90-Y92 PolarHBondContact O-N 3.07Å; Y92-S94 PolarHBondContact O-N 3.03Å
93S22.1Very low23.2Very low121 Ų121135 Ų13585%0.84678%0.78SS**  trans-63.2121.1164.6-53.90000108.6
94S25.5Very low23Very low110 Ų110135.2 Ų135.277%0.76978%0.781SS**  trans-150.6116.8160.1-81.80000110.1Y92 S96Y92-S94 PolarHBondContact O-N 3.03Å; S94-S96 PolarHBondContact O-N 2.71Å
95P23.9Very low23.1Very low134 Ų134138.5 Ų138.587%0.8778%0.778SS**  trans-82.3113.8-176.532.4-30.6000109.5
96S25Very low23.2Very low96 Ų96137.3 Ų137.367%0.67178%0.777SS**  trans-104.3108.5170.9-173.80000109.8S94 Y98S94-S96 PolarHBondContact O-N 2.71Å; S96-Y98 PolarHBondContact O-N 3.44Å
97S23.4Very low23.3Very low116 Ų116137.7 Ų137.781%0.81177%0.772SS**  trans-66.986174.654.30000111.1
98Y21.5Very low23.2Very low215 Ų215139.9 Ų139.984%0.84377%0.774SS**  trans-84.6118.9169.2-110.3-95.5000110.6S96 N100S96-Y98 PolarHBondContact O-N 3.44Å; Y98-N100 PolarHBondContact O-N 3.42Å
99K24.7Very low23.3Very low176 Ų176141.1 Ų141.177%0.76578%0.775SS**  trans-56.2124.5-179.7-76.6172172.5173.80111Y101K99-Y101 PolarHBondContact O-N 3.45Å
100N22.3Very low23.5Very low167 Ų167143.2 Ų143.289%0.89378%0.776SS**  trans-55103.6167.1-90.2-28000110.2Y98 G102Y98-N100 PolarHBondContact O-N 3.42Å; N100-G102 PolarHBondContact O-N 3.5Å
101Y23.1Very low23.5Very low204 Ų204147 Ų14780%0.878%0.783SS**  trans-82.6105.2160.4-83.2-88.7000107.7K99 N103K99-Y101 PolarHBondContact O-N 3.45Å; Y101-N103 PolarHBondContact O-N 3.28Å
102G22.4Very low23.9Very low74 Ų74148.4 Ų148.476%0.76378%0.781SS**  trans-64.999.6172.900000109.9N100 N104N100-G102 PolarHBondContact O-N 3.5Å; G102-N104 PolarHBondContact O-N 2.92Å
103N24.6Very low24Very low126 Ų126147.5 Ų147.567%0.67478%0.784SS**  trans-71.297.4169.4-87.5-18.2000108.6Y101 Y105Y101-N103 PolarHBondContact O-N 3.28Å; N103-Y105 HydrophobicContact CB-CD2 3.83Å; N103-Y105 HydrophobicContact CB-CE2 3.76Å; N103-Y105 PolarHBondContact O-N 3.37Å
104N23Very low24.2Very low145 Ų145152.9 Ų152.978%0.77579%0.786SS**  trans-74.270.4177.8-14712.3000109.5G102 N106G102-N104 PolarHBondContact O-N 2.92Å; N104-N106 PolarHBondContact O-N 3.05Å
105Y25Very low24.5Very low178 Ų178157.2 Ų157.270%0.69879%0.791SS**  trans-80.597.7168.1-74.8-77.2000108.1N103 N107N103-Y105 HydrophobicContact CB-CD2 3.83Å; N103-Y105 HydrophobicContact CB-CE2 3.76Å; N103-Y105 PolarHBondContact O-N 3.37Å; Y105-N107 PolarHBondContact O-N 3.42Å
106N22.9Very low24.8Very low141 Ų141160.4 Ų160.475%0.75479%0.791SS**  trans-62.387.9163.3-73.8-23000108.2N104 E108N104-N106 PolarHBondContact O-N 3.05Å; N106-E108 PolarHBondContact O-N 3.39Å
107N23.8Very low25Very low135 Ų135159.2 Ų159.272%0.72279%0.794SS**  trans-72.393.6167.7-75.5-20.6000107.6Y105 I109Y105-N107 PolarHBondContact O-N 3.42Å; N107-I109 VanDerWaalsContact C-N 3.3Å; N107-I109 PolarHBondContact O-N 3.4Å
108E22.2Very low25.6Very low176 Ų176160 Ų16082%0.82279%0.789SS**  trans-6496.8162.1-86-173.6155.700108.3N106 L110N106-E108 PolarHBondContact O-N 3.39Å; E108-L110 PolarHBondContact O-N 3.13Å
109I25Very low26Very low144 Ų144153.8 Ų153.874%0.73878%0.777SS**  trans-67.597.8170-62169.2000106.5N107 K111N107-I109 VanDerWaalsContact C-N 3.3Å; N107-I109 PolarHBondContact O-N 3.4Å; I109-K111 VanDerWaalsContact C-N 3.32Å; I109-K111 PolarHBondContact O-N 3.25Å
110L25.4Very low26.3Very low160 Ų160154.6 Ų154.684%0.83878%0.777SS**  trans-63.793.6169.7-70.6168.9000108.6E108 S112E108-L110 PolarHBondContact O-N 3.13Å; L110-S112 PolarHBondContact O-N 3.13Å
111K25.8Very low26.6Very low193 Ų193156.4 Ų156.484%0.83977%0.772SS**  trans-64.399.1170.4-75.2-179.7178.1176.40108.5I109 E113I109-K111 VanDerWaalsContact C-N 3.32Å; I109-K111 PolarHBondContact O-N 3.25Å; K111-E113 PolarHBondContact O-N 3.05Å; K111-E113 VanDerWaalsContact O-N 3.11Å
112S26.4Very low26.8Very low102 Ų102156.9 Ų156.971%0.71377%0.774SS**  trans-72101.7168.365.10000108.9L110 R114L110-S112 PolarHBondContact O-N 3.13Å; S112-R114 PolarHBondContact O-N 2.92Å
113E25.7Very low27.1Very low185 Ų185160.1 Ų160.186%0.86477%0.774SS**  trans-61.5100.1165.9-76.1-176.1158.300108.9K111 K115K111-E113 PolarHBondContact O-N 3.05Å; K111-E113 VanDerWaalsContact O-N 3.11Å; E113-K115 PolarHBondContact O-N 3.04Å
114R27.1Very low27.4Very low234 Ų234165.1 Ų165.188%0.88378%0.784SS**  trans-64.8100.2166.8-82.9-178.4172.7171-2.1107.7S112 K116S112-R114 PolarHBondContact O-N 2.92Å; R114-K116 PolarHBondContact O-N 3.31Å; R114-K116 VanDerWaalsContact O-N 3.11Å
115K30.7Very low27.8Very low201 Ų201164.5 Ų164.587%0.87478%0.78SS**  trans-55.1117.5164.8-74.6-173.1176-1780107.9E113 G117E113-K115 PolarHBondContact O-N 3.04Å; K115-G117 PolarHBondContact O-N 3.31Å
116K30.9Very low28.1Very low201 Ų201162.2 Ų162.287%0.87479%0.785SS**  trans-51.3102172.3-78.3175.2172.1177.70108.5R114 N118R114-K116 PolarHBondContact O-N 3.31Å; R114-K116 VanDerWaalsContact O-N 3.11Å; K116-N118 PolarHBondContact O-N 2.83Å
117G28.5Very low28.5Very low70 Ų70162.2 Ų162.272%0.72279%0.785SS**  trans-70120.7168.400000108K115 S119K115-G117 PolarHBondContact O-N 3.31Å; G117-S119 PolarHBondContact O-N 2.98Å
118N35.9Very low28.8Very low132 Ų132162.6 Ų162.671%0.70679%0.787SS**  trans-54.1105.4175.9-69-14.2000109.5K116 Y120K116-N118 PolarHBondContact O-N 2.83Å; N118-Y120 HydrophobicContact CB-CE2 4.42Å; N118-Y120 PolarHBondContact O-N 2.85Å
119S30.7Very low29.2Very low85 Ų85163.5 Ų163.559%0.59479%0.788SS**  trans-71.8106.6168.859.30000107.7G117 Y121G117-S119 PolarHBondContact O-N 2.98Å; S119-Y121 PolarHBondContact O-N 3.25Å
120Y30.4Very low29.4Very low194 Ų194163.8 Ų163.876%0.76180%0.797SS**  trans-68.399.7167.3-73.7-89.5000108N118 Y122N118-Y120 HydrophobicContact CB-CE2 4.42Å; N118-Y120 PolarHBondContact O-N 2.85Å; Y120-Y122 PolarHBondContact O-N 3.17Å
121Y28.1Very low29.6Very low205 Ų205161.6 Ų161.680%0.80480%0.795SS**  trans-65.6108.9167.6-87.5-100000108S119 D123S119-Y121 PolarHBondContact O-N 3.25Å; Y121-D123 PolarHBondContact O-N 3.2Å
122Y28.4Very low29.8Very low213 Ų213157.7 Ų157.784%0.83579%0.792SS**  trans-85.4101.9158.6-84.8-80.9000107.6Y120 R124Y120-Y122 PolarHBondContact O-N 3.17Å; Y122-R124 VanDerWaalsContact C-N 3.34Å; Y122-R124 PolarHBondContact O-N 3.35Å
123D28.1Very low29.9Very low143 Ų143158 Ų15877%0.76580%0.801SS**  trans-63.891.1169.9-131-14.9000108.3Y121 N125Y121-D123 PolarHBondContact O-N 3.2Å; D123-N125 VanDerWaalsContact C-N 3.32Å; D123-N125 PolarHBondContact O-N 3.4Å
124R30.9Very low30.1Very low231 Ų231154.6 Ų154.687%0.87280%0.797SS**  trans-84.588.5167.4-89-172.5-179.3176.11107.4Y122 T126Y122-R124 VanDerWaalsContact C-N 3.34Å; Y122-R124 PolarHBondContact O-N 3.35Å; R124-T126 PolarHBondContact O-N 2.87Å
125N31.7Very low30Very low132 Ų132151.6 Ų151.671%0.70679%0.793SS**  trans-36111.2166.9-79.7-24000111.2D123 N127D123-N125 VanDerWaalsContact C-N 3.32Å; D123-N125 PolarHBondContact O-N 3.4Å; N125-N127 PolarHBondContact O-N 3.44Å; N125-N127 VanDerWaalsContact O-N 3.1Å
126T31.7Very low30.2Very low130 Ų130150.9 Ų150.980%0.79879%0.79SS**  trans-67.489.6163.539.60000108.6R124R124-T126 PolarHBondContact O-N 2.87Å
127N31.3Very low30.1Very low141 Ų141147.6 Ų147.675%0.75478%0.782SS**  trans-11196.1163.5-81.9-13.7000108.5N125N125-N127 PolarHBondContact O-N 3.44Å; N125-N127 VanDerWaalsContact O-N 3.1Å
128D28.8Very low30.2Very low142 Ų142151.7 Ų151.776%0.75979%0.787SS**  trans15.8114.9136.8-62.2-30.9000116.7
129K31.8Very low30Very low195 Ų195155.7 Ų155.785%0.84879%0.793SS**  179.3101.3118.3-93.5160.9-169.5-175.40108.6S131K129-S131 PolarHBondContact O-N 3.35Å
130T28.4Very low30.1Very low150 Ų150155.5 Ų155.592%0.9279%0.791SS**  trans-54.1104.2158.439.70000109.2
131S29.6Very low30.1Very low114 Ų114157.7 Ų157.780%0.79780%0.8SS**  trans-89.7137.1160.4530000109.3K129K129-S131 PolarHBondContact O-N 3.35Å
132S30Very low30.2Very low112 Ų112154.1 Ų154.178%0.78379%0.794SS**  trans-54.8141.9-169.729.30000114.4S134S132-S134 PolarHBondContact O-N 3.22Å
133A29.6Very low30.5Very low109 Ų109150.8 Ų150.890%0.90179%0.791SS**  trans-52.294.7166.600000110.9H135A133-H135 PolarHBondContact O-N 3.27Å
134S28.5Very low30.9Very low113 Ų113149.4 Ų149.479%0.7978%0.783SS**  trans-81118.5168.1640000108.4S132S132-S134 PolarHBondContact O-N 3.22Å
135H26.5Very low31.1Very low171 Ų171145.4 Ų145.479%0.79278%0.78SS**  trans-15.9127.9165.4-105.9-73.6000116A133 D137A133-H135 PolarHBondContact O-N 3.27Å; H135-D137 PolarHBondContact O-N 3.21Å
136K33.3Very low31.2Very low186 Ų186148.1 Ų148.181%0.80978%0.781SS**  trans-61.5100.4161.3-69.5176.9175.9179.10108.5D138K136-D138 PolarHBondContact O-N 2.87Å
137D30.4Very low31.3Very low131 Ų131152.9 Ų152.970%0.70178%0.784SS**  trans-84.8102.3162.6-87-28.6000108.2H135 R139H135-D137 PolarHBondContact O-N 3.21Å; D137-R139 PolarHBondContact O-N 3.43Å
138D30.5Very low31.4Very low157 Ų157152.9 Ų152.984%0.8479%0.79SS**  trans-71.260.5174.1-73.3-34.7000111.4K136K136-D138 PolarHBondContact O-N 2.87Å
139R30.8Very low31.7Very low216 Ų216149.9 Ų149.982%0.81578%0.78SS**  trans-109.2103.4177-73.7-173.4-178.6179.13.2111.9D137D137-R139 PolarHBondContact O-N 3.43Å
140S33.9Very low32.2Very low80 Ų80151 Ų15156%0.55978%0.781SS**  trans6291.2134.5-173.20000116.1N142S140-N142 PolarHBondContact O-N 2.92Å; S140-N142 VanDerWaalsContact OG-CG 3.31Å; S140-N142 PolarHBondContact OG-ND2 3.27Å; S140-N142 PolarHBondContact OG-OD1 3.4Å
141Y29.1Very low32.5Very low241 Ų241153.2 Ų153.295%0.94577%0.773SS**  trans-53.186.2151.3-102.4-97.6000109.5
142N31.3Very low32.8Very low129 Ų129155.1 Ų155.169%0.6977%0.774SS**  trans-103.2104170.4-96.3-13.2000108.6S140 D144S140-N142 PolarHBondContact O-N 2.92Å; S140-N142 VanDerWaalsContact OG-CG 3.31Å; S140-N142 PolarHBondContact OG-ND2 3.27Å; S140-N142 PolarHBondContact OG-OD1 3.4Å; N142-D144 PolarHBondContact O-N 2.96Å
143N34.6Very low33.1Very low144 Ų144156.9 Ų156.977%0.7778%0.775SS**  trans36.180152-87-11.5000116N145N143-N145 PolarHBondContact O-N 2.8Å
144D36.7Very low33.5Very low113 Ų113156.9 Ų156.960%0.60476%0.759SS**  trans-68.589.1158.7-72-39.2000109.1N142 Y146N142-D144 PolarHBondContact O-N 2.96Å; D144-Y146 HydrophobicContact CB-CD2 3.68Å; D144-Y146 HydrophobicContact CB-CE2 3.33Å; D144-Y146 HydrophobicContact CB-CG 4.44Å; D144-Y146 PolarHBondContact O-N 3.35Å
145N34Very low33.7Very low148 Ų148160.8 Ų160.879%0.79176%0.762SS**  trans-60.380.2155.5-81.7-35.4000107.9N143 R147N143-N145 PolarHBondContact O-N 2.8Å; N145-R147 VanDerWaalsContact C-N 3.26Å; N145-R147 PolarHBondContact O-N 3.31Å
146Y35.2Very low34.2Very low188 Ų188162.6 Ų162.674%0.73776%0.763SS**  trans-66.791.2168.7-73.9-73.3000108.9D144 T148D144-Y146 HydrophobicContact CB-CD2 3.68Å; D144-Y146 HydrophobicContact CB-CE2 3.33Å; D144-Y146 HydrophobicContact CB-CG 4.44Å; D144-Y146 PolarHBondContact O-N 3.35Å; Y146-T148 PolarHBondContact O-N 3.36Å; Y146-T148 VanDerWaalsContact O-N 3.08Å
147R33.4Very low34.1Very low230 Ų230158.4 Ų158.487%0.86876%0.763SS**  trans-59.5103.4159.1-102.8-179.2169.1-175.6-3.1107.5N145 S149N145-R147 VanDerWaalsContact C-N 3.26Å; N145-R147 PolarHBondContact O-N 3.31Å; R147-S149 PolarHBondContact O-N 3.23Å
148T33.5Very low34.1Very low141 Ų141161 Ų16187%0.86577%0.77SS**  trans-70.990.9166460000109Y146Y146-T148 PolarHBondContact O-N 3.36Å; Y146-T148 VanDerWaalsContact O-N 3.08Å
149S35.4Very low34Very low79 Ų79157.2 Ų157.255%0.55276%0.757SS**  trans-13979.7171.663.10000110.1R147R147-S149 PolarHBondContact O-N 3.23Å
150Y40.5Very low34Very low220 Ų220153.8 Ų153.886%0.86375%0.754SS**SBendtrans-139.310.9169.8-120.5-81.4000114.7
151Y35.1Very low34Very low196 Ų196157.8 Ų157.877%0.76976%0.764SS**SBendtrans-126.59.2-178.9-71.4-69.8000115.4I154Y151-I154 HydrophobicContact CD1-CD1 4.23Å
152D36.8Very low34.1Very low153 Ų153153 Ų15382%0.81876%0.755SS**THydrogen-bonded Turntrans-83.6-8.3-178.1-75.2-20.4000114.6
153D35.8Very low34.1Very low149 Ų149153 Ų15380%0.79776%0.76SS**THydrogen-bonded Turntrans-116.318-172.1-76.9-31.3000116.3K155D153-K155 PolarHBondContact O-N 3.11Å
154I37.2Very low34Very low109 Ų109151.4 Ų151.456%0.55976%0.755SS**  trans-78.676.3170.7-50.1178.8000109Y151 Y156Y151-I154 HydrophobicContact CD1-CD1 4.23Å; I154-Y156 WeakPolarHBondContact O-CD2 3.21Å; I154-Y156 PolarHBondContact O-N 3Å
155K34.5Very low33.7Very low195 Ų195153.2 Ų153.285%0.84877%0.765SS**  trans-62.7105.1161.6-74.2-176.6-178.7175.70107.4D153 A157D153-K155 PolarHBondContact O-N 3.11Å; K155-A157 PolarHBondContact O-N 2.82Å
156Y36.5Very low33.7Very low210 Ų210155.2 Ų155.282%0.82477%0.766SS**  trans-59.8100.2170.9-69.3-89.3000108.9I154 Q158I154-Y156 WeakPolarHBondContact O-CD2 3.21Å; I154-Y156 PolarHBondContact O-N 3Å; Y156-Q158 PolarHBondContact O-N 2.81Å; Y156-Q158 VanDerWaalsContact O-N 3.1Å
157A31.4Very low33.6Very low97 Ų97155.5 Ų155.580%0.80277%0.771SS**  trans-63.2110.8164.400000107.2K155 S159K155-A157 PolarHBondContact O-N 2.82Å; A157-S159 PolarHBondContact O-N 2.75Å
158Q30.3Very low33.6Very low185 Ų185154.3 Ų154.386%0.86477%0.773SS**  trans-59.2120.9172-91.9174.2-39.900108.1Y156 D160Y156-Q158 PolarHBondContact O-N 2.81Å; Y156-Q158 VanDerWaalsContact O-N 3.1Å; Q158-D160 PolarHBondContact O-N 3.37Å; Q158-D160 VanDerWaalsContact O-N 3.1Å
159S28.9Very low33.6Very low79 Ų79152.7 Ų152.755%0.55277%0.767SS**  trans-60.4111175150.60000109.1A157 H161A157-S159 PolarHBondContact O-N 2.75Å; S159-H161 VanDerWaalsContact C-N 3.33Å; S159-H161 PolarHBondContact O-N 3.38Å; S159-H161 PolarHBondContact OG-CE1 3.29Å
160D28.9Very low33.5Very low143 Ų143156 Ų15677%0.76578%0.779SS**  trans-60.597.4165.2-74.7-31.4000108.5Q158 N162Q158-D160 PolarHBondContact O-N 3.37Å; Q158-D160 VanDerWaalsContact O-N 3.1Å; D160-N162 PolarHBondContact O-N 3.41Å
161H34.6Very low33Very low164 Ų164149.5 Ų149.576%0.75977%0.765SS**  trans-72.377.8170.1-75.2-55.1000108.5S159 T163S159-H161 VanDerWaalsContact C-N 3.33Å; S159-H161 PolarHBondContact O-N 3.38Å; S159-H161 PolarHBondContact OG-CE1 3.29Å; H161-T163 PolarHBondContact O-N 3.3Å
162N31.3Very low32.8Very low140 Ų140148.1 Ų148.175%0.74977%0.769SS**  trans-60.7112.7162-82.8-25.7000107.5D160 V164D160-N162 PolarHBondContact O-N 3.41Å; N162-V164 VanDerWaalsContact C-N 3.28Å; N162-V164 PolarHBondContact O-N 3.28Å
163T31.2Very low32.4Very low130 Ų130150.4 Ų150.480%0.79877%0.768SS**  trans-60.389.3175.6-37.30000108.3H161 N165H161-T163 PolarHBondContact O-N 3.3Å; T163-N165 PolarHBondContact O-N 3.45Å
164V32.4Very low32.2Very low111 Ų111148 Ų14867%0.67376%0.763SS**  trans-67.8105.8177-177.40000107.1N162 K166N162-V164 VanDerWaalsContact C-N 3.28Å; N162-V164 PolarHBondContact O-N 3.28Å; V164-K166 HydrophobicContact CG1-CG 4.23Å; V164-K166 PolarHBondContact O-N 3.42Å
165N31.3Very low32Very low151 Ų151152 Ų15281%0.80778%0.776SS**  trans-58.783.8167.5-84-23.7000108.9T163 K167T163-N165 PolarHBondContact O-N 3.45Å; N165-K167 PolarHBondContact O-N 3.23Å
166K34.3Very low31.8Very low189 Ų189147.5 Ų147.582%0.82277%0.769SS**  trans-69.196.2175.2-76-173.7178-179.70108.2V164 K168V164-K166 HydrophobicContact CG1-CG 4.23Å; V164-K166 PolarHBondContact O-N 3.42Å; K166-K168 PolarHBondContact O-N 3.48Å
167K32.4Very low31.6Very low194 Ų194144.8 Ų144.884%0.84377%0.769SS**  trans-49.1130.7161.1-73.8-178.7175.8178.80107.9N165 S169N165-K167 PolarHBondContact O-N 3.23Å; K167-S169 PolarHBondContact O-N 2.9Å
168K34.2Very low31.7Very low206 Ų206149.4 Ų149.490%0.89677%0.767SS**  trans-50.899.7176.6-78.9175.2173.91750109.1K166 N170K166-K168 PolarHBondContact O-N 3.48Å; K168-N170 PolarHBondContact O-N 3.28Å
169S32.3Very low31.7Very low106 Ų106149.8 Ų149.874%0.74177%0.766SS**  trans-76.8120.2165.548.50000107.2K167 S171K167-S169 PolarHBondContact O-N 2.9Å; S169-S171 VanDerWaalsContact C-N 3.26Å; S169-S171 PolarHBondContact O-N 2.89Å
170N33.4Very low31.6Very low150 Ų150153.1 Ų153.180%0.80277%0.774SS**  trans-64.493.1168-73.4-19.8000106.8K168 I172K168-N170 PolarHBondContact O-N 3.28Å; N170-I172 PolarHBondContact O-N 3.19Å
171S31.1Very low31.6Very low82 Ų82150.7 Ų150.757%0.57377%0.767SS**  trans-67.8112.6179.994.50000107.5S169 Y173S169-S171 VanDerWaalsContact C-N 3.26Å; S169-S171 PolarHBondContact O-N 2.89Å; S171-Y173 PolarHBondContact O-N 3.27Å
172I30Very low31.5Very low167 Ų167151.9 Ų151.986%0.85677%0.772SS**  trans-73.746.1169.3-48.6165.5000108.1N170 S174N170-I172 PolarHBondContact O-N 3.19Å; I172-S174 PolarHBondContact O-N 3.33Å
173Y28.2Very low31.5Very low201 Ų201149.6 Ų149.679%0.78876%0.763SS**  trans-73.893.7163.9-89.6-87.4000105.2S171 K175S171-Y173 PolarHBondContact O-N 3.27Å; Y173-K175 PolarHBondContact O-N 3Å
174S31.6Very low31.6Very low99 Ų99149 Ų14969%0.69277%0.765SS**  trans-40.5112.8155.540.10000106.5I172 S176I172-S174 PolarHBondContact O-N 3.33Å; S174-S176 PolarHBondContact O-N 2.79Å
175K33.7Very low31.6Very low192 Ų192147.8 Ų147.884%0.83575%0.754SS**  trans-54.995.9167.9-85.9174.8174.1173.20105.2Y173 N177Y173-K175 PolarHBondContact O-N 3Å; K175-N177 PolarHBondContact O-N 3.09Å
176S29.4Very low31.7Very low101 Ų101145.5 Ų145.571%0.70675%0.748SS**  trans-58.4113.4166.245.30000104.1S174 Y178S174-S176 PolarHBondContact O-N 2.79Å; S176-Y178 PolarHBondContact O-N 3.19Å
177N33.2Very low31.6Very low153 Ų153143.1 Ų143.182%0.81874%0.739SS**  trans-66.871.6170.9-80.9-27.9000106.8K175 K179K175-N177 PolarHBondContact O-N 3.09Å; N177-K179 PolarHBondContact O-N 2.73Å
178Y32.9Very low31.4Very low195 Ų195140.8 Ų140.877%0.76573%0.726SS**  trans-72.585.2171.1-162-92.1000106.1S176 M180S176-Y178 PolarHBondContact O-N 3.19Å; Y178-M180 VanDerWaalsContact C-N 3.33Å; Y178-M180 PolarHBondContact O-N 3.29Å
179K29.9Very low31.1Very low192 Ų192140.8 Ų140.884%0.83572%0.721SS**  trans-65.8101.8163.6-81.9-175.4174.6-177.60105.6N177N177-K179 PolarHBondContact O-N 2.73Å
180M27.3Very low31.2Very low149 Ų149142.1 Ų142.173%0.73472%0.719SS**  trans-47.3127163.7-122.9-174.6119.500106.8Y178 E182Y178-M180 VanDerWaalsContact C-N 3.33Å; Y178-M180 PolarHBondContact O-N 3.29Å; M180-E182 PolarHBondContact O-N 3.34Å
181P29.9Very low31.1Very low93 Ų93143.9 Ų143.960%0.60472%0.715SS**  trans-55119.9175.320-29.2000107.5V183P181-V183 VanDerWaalsContact C-N 3.27Å; P181-V183 PolarHBondContact O-N 3.37Å
182E32.1Very low31.2Very low188 Ų188147 Ų14788%0.87972%0.724SS**  trans-60.4100169.6-79.8-178.1165.900106.1M180 S184M180-E182 PolarHBondContact O-N 3.34Å; E182-S184 PolarHBondContact O-N 3.24Å
183V31.8Very low31.2Very low92 Ų92146.9 Ų146.956%0.55872%0.719SS**  trans-69.388.3171.6-1730000105.1P181 N185 Y188P181-V183 VanDerWaalsContact C-N 3.27Å; P181-V183 PolarHBondContact O-N 3.37Å; V183-N185 HydrophobicContact CG1-CB 4.38Å; V183-N185 PolarHBondContact O-N 3.35Å; V183-Y188 HydrophobicContact CG1-CD2 4.43Å
184S31.8Very low31.3Very low119 Ų119148.2 Ų148.283%0.83272%0.723SS**  trans-64.1-2.2178.658.20000112.8E182 P186E182-S184 PolarHBondContact O-N 3.24Å; S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.5Å
185N32.5Very low31.1Very low85 Ų85151.5 Ų151.546%0.45573%0.727SS.*  trans-99.2104.3177.7-160.6-21.1000110.8V183 H187 Y188V183-N185 HydrophobicContact CG1-CB 4.38Å; V183-N185 PolarHBondContact O-N 3.35Å; N185-H187 PolarHBondContact O-N 2.96Å; N185-H187 PolarHBondContact OD1-N 2.71Å; N185-Y188 PolarHBondContact O-N 3.11Å
186P33.1Very low31Very low103 Ų103146.6 Ų146.667%0.66972%0.716SS**G310 helixtrans-59.5-16-177.921.9-31.7000113.5S184 Y188 R189S184-P186 VanDerWaalsContact O-CD 3.31Å; S184-P186 WeakPolarHBondContact O-CD 3.5Å; P186-Y188 PolarHBondContact O-N 2.95Å; P186-R189 PolarHBondContact O-N 3.3Å
187H32.2Very low30.9Very low139 Ų139148 Ų14864%0.64472%0.72SS**G310 helixtrans-65.8-19.9-178.8-115.1-2.7000115.4N185N185-H187 PolarHBondContact O-N 2.96Å; N185-H187 PolarHBondContact OD1-N 2.71Å
188Y28.5Very low30.7Very low144 Ų144150.3 Ų150.357%0.56572%0.719SS**G310 helixtrans-87.7-17.7178.6-83.2-81.5000113.9V183 N185 P186V183-Y188 HydrophobicContact CG1-CD2 4.43Å; N185-Y188 PolarHBondContact O-N 3.11Å; P186-Y188 PolarHBondContact O-N 2.95Å
189R27.4Very low30.6Very low207 Ų207150.2 Ų150.278%0.78172%0.722SS**THydrogen-bonded Turntrans-72-37.6179.6-93.3-163.1171-173.8-0.2113.4P186 R191P186-R189 PolarHBondContact O-N 3.3Å; R189-R191 VanDerWaalsContact C-N 3.25Å; R189-R191 PolarHBondContact O-N 3.27Å
190D35.1Very low30.4Very low134 Ų134151.6 Ų151.672%0.71772%0.724SS**G310 helixtrans-73.8-17.3-174.6-73.1-13.2000113.7
191R30.9Very low30.4Very low187 Ų187155.5 Ų155.571%0.70673%0.73SS**G310 helixtrans-79.7-18.6-175.9-116.4-176.5-87.5-168.6-4.5114.1R189R189-R191 VanDerWaalsContact C-N 3.25Å; R189-R191 PolarHBondContact O-N 3.27Å
192L32.8Very low30.3Very low146 Ų146154.6 Ų154.676%0.76473%0.73SS**G310 helixtrans-88.3-10.9-175.9-78.3165.4000114.8
193H30.5Very low30.3Very low165 Ų165152.6 Ų152.676%0.76473%0.726SS**SBendtrans-113.67.5-171.8-67.6-60.5000115.8E195H193-E195 VanDerWaalsContact C-N 3.3Å; H193-E195 PolarHBondContact O-N 3.17Å; H193-E195 VanDerWaalsContact O-N 3.13Å
194R29.9Very low30.3Very low230 Ų230154.5 Ų154.587%0.86874%0.737SS**  trans-91.866.9178.8-139.5177.9-166.3-167.14.6110.9
195E28.5Very low30.1Very low167 Ų167156.5 Ų156.578%0.7873%0.733SS**  trans-60.1133165.1-77.7-176.2165.200109.2H193 T197H193-E195 VanDerWaalsContact C-N 3.3Å; H193-E195 PolarHBondContact O-N 3.17Å; H193-E195 VanDerWaalsContact O-N 3.13Å; E195-T197 PolarHBondContact O-N 3.19Å
196P30.5Very low30.2Very low90 Ų90162.1 Ų162.158%0.58475%0.754SS**  trans-65.2103.6-179.825.1-31.6000109.4Y198P196-Y198 VanDerWaalsContact C-N 3.3Å; P196-Y198 HydrophobicContact CB-CD2 4.36Å; P196-Y198 HydrophobicContact CB-CE2 3.95Å; P196-Y198 HydrophobicContact CG-CD2 4.49Å; P196-Y198 HydrophobicContact CG-CE2 3.81Å; P196-Y198 WeakPolarHBondContact O-CD2 3.32Å; P196-Y198 PolarHBondContact O-N 3.48Å
197T28.8Very low30.2Very low131 Ų131165.3 Ų165.380%0.80476%0.764SS**  trans-70.890.2167.531.70000108.1E195 K199E195-T197 PolarHBondContact O-N 3.19Å; T197-K199 PolarHBondContact O-N 3.42Å
198Y28.9Very low30.2Very low201 Ų201167.5 Ų167.579%0.78877%0.772SS**  trans-62.797.1169.6-68.9-82.7000108.6P196 Y200P196-Y198 VanDerWaalsContact C-N 3.3Å; P196-Y198 HydrophobicContact CB-CD2 4.36Å; P196-Y198 HydrophobicContact CB-CE2 3.95Å; P196-Y198 HydrophobicContact CG-CD2 4.49Å; P196-Y198 HydrophobicContact CG-CE2 3.81Å; P196-Y198 WeakPolarHBondContact O-CD2 3.32Å; P196-Y198 PolarHBondContact O-N 3.48Å; Y198-Y200 PolarHBondContact O-N 3.28Å
199K29.8Very low30.3Very low192 Ų192170.4 Ų170.484%0.83579%0.788SS**  trans-7196.9164.9-79.9-175.3177.2179.60107.4T197 R201T197-K199 PolarHBondContact O-N 3.42Å; K199-R201 PolarHBondContact O-N 3.44Å
200Y26Very low30.6Very low221 Ų221168.8 Ų168.887%0.86779%0.787SS**  trans-58.6101.1165.3-123.5-94.8000107.7Y198 A202Y198-Y200 PolarHBondContact O-N 3.28Å; Y200-A202 PolarHBondContact O-N 2.82Å
201R26.3Very low30.2Very low232 Ų232166.4 Ų166.488%0.87579%0.793SS**  trans-77.397.9159.8-83.1-173.5174.8-177.1-0.8104.9K199 D203K199-R201 PolarHBondContact O-N 3.44Å; R201-D203 PolarHBondContact O-N 3.01Å; R201-D203 VanDerWaalsContact O-N 3.12Å
202A28.2Very low30.2Very low73 Ų73165.8 Ų165.860%0.60379%0.792SS**  trans-57.6118.8162.300000106.1Y200 V204Y200-A202 PolarHBondContact O-N 2.82Å; A202-V204 WeakPolarHBondContact O-CG2 3.41Å; A202-V204 PolarHBondContact O-N 2.93Å
203D32.1Very low30Very low147 Ų147166.6 Ų166.679%0.78680%0.798SS**  trans-57.399.6165.9-81.1-33.4000106.2R201 Q205R201-D203 PolarHBondContact O-N 3.01Å; R201-D203 VanDerWaalsContact O-N 3.12Å; D203-Q205 PolarHBondContact O-N 2.89Å
204V31.5Very low30.1Very low131 Ų131163.4 Ų163.479%0.79479%0.786SS**  trans-72.568172.6-170.50000106.2A202 K206A202-V204 WeakPolarHBondContact O-CG2 3.41Å; A202-V204 PolarHBondContact O-N 2.93Å; V204-K206 PolarHBondContact O-N 2.95Å
205Q28.7Very low30Very low161 Ų161161.2 Ų161.275%0.75279%0.785SS**  trans-58.8119.8155-71-166.82.500105.3D203 L207D203-Q205 PolarHBondContact O-N 2.89Å; Q205-L207 PolarHBondContact O-N 2.83Å
206K33.8Very low29.9Very low204 Ų204162.2 Ų162.289%0.88778%0.784SS**  trans-5479.6-179.8-66.6170.6176.6174.20110.3V204 K208V204-K206 PolarHBondContact O-N 2.95Å; K206-K208 PolarHBondContact O-N 3.13Å
207L34Very low29.7Very low170 Ų170166.7 Ų166.789%0.8980%0.797SS**  trans-70.7105.1167.1-85.4163.9000106.4Q205 K209Q205-L207 PolarHBondContact O-N 2.83Å; L207-K209 PolarHBondContact O-N 3.47Å
208K31.5Very low29.6Very low184 Ų184166.2 Ų166.280%0.879%0.793SS**  trans-35.7124.6174.6-73.5169.9171.4175.40111.6K206 F210K206-K208 PolarHBondContact O-N 3.13Å; K208-F210 WeakPolarHBondContact O-CD2 3.45Å; K208-F210 PolarHBondContact O-N 3.43Å; K208-F210 VanDerWaalsContact O-N 3.13Å
209K31.3Very low29.5Very low206 Ų206161.9 Ų161.990%0.89679%0.792SS**  trans18.381.4148.6-67.4-179175.6-179.10115.2L207L207-K209 PolarHBondContact O-N 3.47Å
210F33.5Very low29.4Very low173 Ų173160.9 Ų160.976%0.75979%0.788SS**  trans-122.5111.1148.5-78.8-79.4000106.8K208 Y212K208-F210 WeakPolarHBondContact O-CD2 3.45Å; K208-F210 PolarHBondContact O-N 3.43Å; K208-F210 VanDerWaalsContact O-N 3.13Å; F210-Y212 VanDerWaalsContact C-N 3.33Å; F210-Y212 HydrophobicContact CB-CD2 3.88Å; F210-Y212 HydrophobicContact CB-CE2 3.94Å; F210-Y212 PolarHBondContact O-N 3.24Å
211G27.1Very low29.4Very low83 Ų83155.4 Ų155.486%0.85678%0.782SS**  trans-65.992.2-179.800000110
212Y30.5Very low29.4Very low174 Ų174152 Ų15268%0.68277%0.774SS**  trans-116.698.7168.6-78.1-84.1000107.6F210 D214F210-Y212 VanDerWaalsContact C-N 3.33Å; F210-Y212 HydrophobicContact CB-CD2 3.88Å; F210-Y212 HydrophobicContact CB-CE2 3.94Å; F210-Y212 PolarHBondContact O-N 3.24Å; Y212-D214 PolarHBondContact O-N 3.37Å
213N28.4Very low29.3Very low164 Ų164159 Ų15988%0.87779%0.786SS**  trans-71.166.3167.7-80.8-18.7000109.1Q215N213-Q215 PolarHBondContact O-N 2.95Å
214D33.4Very low28.9Very low98 Ų98160.9 Ų160.952%0.52478%0.784SS.*  trans-90.986.9173.1-71.4-19.6000108.3Y212 Y216Y212-D214 PolarHBondContact O-N 3.37Å; D214-Y216 HydrophobicContact CB-CD2 3.94Å; D214-Y216 HydrophobicContact CB-CE2 3.6Å; D214-Y216 WeakPolarHBondContact O-CD2 3.41Å; D214-Y216 PolarHBondContact O-N 2.92Å
215Q27.2Very low28.8Very low183 Ų183160 Ų16086%0.85578%0.775SS**  trans-61.785.3162.1-77.7180-27.400108.5N213 Q217N213-Q215 PolarHBondContact O-N 2.95Å; Q215-Q217 PolarHBondContact O-N 2.72Å
216Y26.4Very low28.7Very low189 Ų189157.9 Ų157.974%0.74177%0.768SS**  trans-68.193.8168.6-77-86000109.2D214 V218D214-Y216 HydrophobicContact CB-CD2 3.94Å; D214-Y216 HydrophobicContact CB-CE2 3.6Å; D214-Y216 WeakPolarHBondContact O-CD2 3.41Å; D214-Y216 PolarHBondContact O-N 2.92Å; Y216-V218 PolarHBondContact O-N 2.75Å
217Q26.6Very low28.5Very low184 Ų184155 Ų15586%0.8676%0.763SS**  trans-70.384.7159.5-77.4-173.2-2.900108.3Q215 S219Q215-Q217 PolarHBondContact O-N 2.72Å; Q217-S219 PolarHBondContact O-N 2.64Å; Q217-S219 VanDerWaalsContact O-N 3.17Å
218V26.3Very low28.5Very low120 Ų120154.3 Ų154.373%0.72776%0.759SS**  trans-73.7104.7165.5-179.20000106.7Y216 K220Y216-V218 PolarHBondContact O-N 2.75Å; V218-K220 PolarHBondContact O-N 3.27Å
219S26.4Very low28.3Very low110 Ų110156.6 Ų156.677%0.76976%0.763SS**  trans-58.7105170.343.20000108.5Q217 S221Q217-S219 PolarHBondContact O-N 2.64Å; Q217-S219 VanDerWaalsContact O-N 3.17Å; S219-S221 PolarHBondContact O-N 3.26Å
220K27.4Very low28.2Very low171 Ų171155.4 Ų155.474%0.74376%0.758SS**  trans-60105.3167-81.7179.2176.3175.70107V218 F222V218-K220 PolarHBondContact O-N 3.27Å; K220-F222 VanDerWaalsContact C-N 3.32Å; K220-F222 HydrophobicContact CB-CD2 4.44Å; K220-F222 HydrophobicContact CB-CE2 4.26Å; K220-F222 WeakPolarHBondContact O-CD2 3.33Å; K220-F222 PolarHBondContact O-N 3.39Å
221S26.8Very low28.1Very low107 Ų107156.8 Ų156.875%0.74876%0.759SS**  trans-63.999.5162.140.70000107.1S219 Y223S219-S221 PolarHBondContact O-N 3.26Å; S221-Y223 VanDerWaalsContact C-N 3.35Å; S221-Y223 PolarHBondContact O-N 3.34Å
222F26.7Very low28.1Very low160 Ų160161.8 Ų161.870%0.70276%0.76SS**  trans-6498.7169.1-77.2-93.1000107.4K220 Y224K220-F222 VanDerWaalsContact C-N 3.32Å; K220-F222 HydrophobicContact CB-CD2 4.44Å; K220-F222 HydrophobicContact CB-CE2 4.26Å; K220-F222 WeakPolarHBondContact O-CD2 3.33Å; K220-F222 PolarHBondContact O-N 3.39Å; F222-Y224 VanDerWaalsContact C-N 3.31Å; F222-Y224 HydrophobicContact CB-CD2 4.2Å; F222-Y224 HydrophobicContact CB-CE2 3.93Å; F222-Y224 WeakPolarHBondContact O-CD2 3.42Å; F222-Y224 PolarHBondContact O-N 3.41Å
223Y25.2Very low27.9Very low221 Ų221161 Ų16187%0.86777%0.767SS**  trans-68.895.4165.9-124.1-92.5000107S221 N225S221-Y223 VanDerWaalsContact C-N 3.35Å; S221-Y223 PolarHBondContact O-N 3.34Å; Y223-N225 PolarHBondContact O-N 3.32Å
224Y24.8Very low28Very low186 Ų186160.4 Ų160.473%0.72976%0.764SS**  trans-66.899.6167.8-77.9-90.8000107.6F222 D226F222-Y224 VanDerWaalsContact C-N 3.31Å; F222-Y224 HydrophobicContact CB-CD2 4.2Å; F222-Y224 HydrophobicContact CB-CE2 3.93Å; F222-Y224 WeakPolarHBondContact O-CD2 3.42Å; F222-Y224 PolarHBondContact O-N 3.41Å; Y224-D226 PolarHBondContact O-N 3.15Å
225N28Very low27.7Very low113 Ų113163.8 Ų163.860%0.60478%0.782SS**  trans-86.190.2166.2-162.9-9.6000107.1Y223 N227Y223-N225 PolarHBondContact O-N 3.32Å; N225-N227 PolarHBondContact O-N 2.67Å
226D27.8Very low27.7Very low115 Ų115163.9 Ų163.962%0.61578%0.78SS**G310 helixtrans-59.6-7.7-174-78.5-29.4000114.7Y224 L228Y224-D226 PolarHBondContact O-N 3.15Å; D226-L228 VanDerWaalsContact C-N 3.3Å; D226-L228 PolarHBondContact O-N 3.05Å
227N29.6Very low27.9Very low145 Ų145164.7 Ų164.778%0.77579%0.791SS**G310 helixtrans-77.6-6.9-175.3-68.9-29.8000115.1N225N225-N227 PolarHBondContact O-N 2.67Å
228L33.3Very low28Very low155 Ų155162 Ų16281%0.81279%0.787SS**G310 helixtrans-92.8-1.1177.5-84.1163.2000114.6D226 K230D226-L228 VanDerWaalsContact C-N 3.3Å; D226-L228 PolarHBondContact O-N 3.05Å; L228-K230 PolarHBondContact O-N 3.2Å; L228-K230 VanDerWaalsContact O-N 3.15Å
229R26.7Very low28Very low231 Ų231159.3 Ų159.387%0.87278%0.783SS**THydrogen-bonded Turntrans-76.13.1-174.6-121.2-179.4-170.9-174.72.3116.1
230K30.5Very low27.8Very low182 Ų182165.2 Ų165.279%0.79179%0.79SS**THydrogen-bonded Turntrans-98.3-6.9-172.9-83-170.4175.9-177.70117.6L228L228-K230 PolarHBondContact O-N 3.2Å; L228-K230 VanDerWaalsContact O-N 3.15Å
231Y30.6Very low27.6Very low202 Ų202165.9 Ų165.979%0.79280%0.796SS**SBendtrans-14563.6-174.1-68.3-79.5000114.1
232H28.1Very low27.4Very low187 Ų187165.9 Ų165.987%0.86680%0.796SS**  trans-156.457157.8-91.3-57.9000111.5
233N26.2Very low27.2Very low158 Ų158163.5 Ų163.585%0.84580%0.799SS**  trans-10381.7152.3-100.30.4000106.5
234N30.6Very low27.2Very low152 Ų152161.8 Ų161.881%0.81380%0.796SS**SBendtrans-158.6108.7158.8-91.7-24.1000108.3K236N234-K236 PolarHBondContact O-N 2.81Å
235N27.1Very low27.1Very low169 Ų169158.2 Ų158.290%0.90480%0.798SS**  trans-57.780.1-174.4-71.5-28.7000114.7
236K27.2Very low26.9Very low185 Ų185159.6 Ų159.680%0.80480%0.804SS**  trans-129.1101.5158.6-79.6-173176.4178.60109.9N234 V238N234-K236 PolarHBondContact O-N 2.81Å; K236-V238 VanDerWaalsContact C-N 3.28Å; K236-V238 HydrophobicContact CB-CG2 4.43Å; K236-V238 PolarHBondContact O-N 3.04Å
237Q29.1Very low26.9Very low206 Ų206160.2 Ų160.296%0.96381%0.807SS**  trans-56.393160.5-77.2176.2-19.800108.2G239Q237-G239 PolarHBondContact O-N 3.24Å
238V30Very low26.6Very low128 Ų128161.2 Ų161.278%0.77681%0.807SS**  trans-85.693168.8-171.40000106.1K236 Y240K236-V238 VanDerWaalsContact C-N 3.28Å; K236-V238 HydrophobicContact CB-CG2 4.43Å; K236-V238 PolarHBondContact O-N 3.04Å; V238-Y240 PolarHBondContact O-N 3.03Å
239G25.1Very low26Very low63 Ų63161.5 Ų161.565%0.64980%0.804SS**  trans-54.9124.1174.300000110.1Q237 Q241Q237-G239 PolarHBondContact O-N 3.24Å; G239-Q241 VanDerWaalsContact C-N 3.34Å; G239-Q241 PolarHBondContact O-N 2.93Å
240Y23.1Very low25.9Very low234 Ų234158.1 Ų158.192%0.91880%0.798SS**  trans-69.988.8178-137.5-92.8000108.7V238 S242V238-Y240 PolarHBondContact O-N 3.03Å; Y240-S242 PolarHBondContact O-N 2.87Å
241Q22.2Very low25.6Very low185 Ų185156.7 Ų156.786%0.86480%0.797SS**  trans-75.7109170.6-86.6-172.4-27.700109.2G239 S243G239-Q241 VanDerWaalsContact C-N 3.34Å; G239-Q241 PolarHBondContact O-N 2.93Å; Q241-S243 PolarHBondContact O-N 2.74Å
242S23.5Very low25.3Very low107 Ų107153.5 Ų153.575%0.74879%0.793SS**  trans-66.895.3166.8179.30000108.8Y240 K244Y240-S242 PolarHBondContact O-N 2.87Å; S242-K244 PolarHBondContact O-N 3.12Å
243S23.4Very low25.1Very low109 Ų109152 Ų15276%0.76279%0.792SS**  trans-71.198171.339.80000109.1Q241 S245Q241-S243 PolarHBondContact O-N 2.74Å; S243-S245 VanDerWaalsContact C-N 3.28Å; S243-S245 PolarHBondContact O-N 2.8Å
244K23.5Very low25Very low185 Ų185151.9 Ų151.980%0.80479%0.786SS**  trans-60.690.1160.2-77.3176.7174.4176.60108S242 I246S242-K244 PolarHBondContact O-N 3.12Å; K244-I246 PolarHBondContact O-N 2.87Å; K244-I246 VanDerWaalsContact O-N 3.16Å
245S24.1Very low24.7Very low112 Ų112151.9 Ų151.978%0.78379%0.785SS**  trans-74.4103.7171.252.10000109.3S243 N247S243-S245 VanDerWaalsContact C-N 3.28Å; S243-S245 PolarHBondContact O-N 2.8Å; S245-N247 PolarHBondContact O-N 3.28Å
246I24.3Very low24.6Very low141 Ų141151.2 Ų151.272%0.72378%0.782SS**  trans-84.418.8176.3-65.4166.9000111.4K244 H248K244-I246 PolarHBondContact O-N 2.87Å; K244-I246 VanDerWaalsContact O-N 3.16Å; I246-H248 PolarHBondContact O-N 3.34Å
247N26Very low24.4Very low128 Ų128153 Ų15368%0.68478%0.783SS**  trans-96.486.1178.3-75.5-3.9000110.4S245 H249S245-N247 PolarHBondContact O-N 3.28Å; N247-H249 PolarHBondContact O-N 2.65Å
248H23.2Very low24.3Very low166 Ų166150.3 Ų150.377%0.76978%0.775SS**  trans-6084.8156.7-76.4-78.5000108.6I246 H250I246-H248 PolarHBondContact O-N 3.34Å; H248-H250 PolarHBondContact O-CD2 2.97Å; H248-H250 PolarHBondContact O-N 3.4Å
249H21.8Very low24.1Very low161 Ų161149.1 Ų149.175%0.74577%0.772SS**  trans-68.5100.9165-81.6-57.3000107.9N247 I251N247-H249 PolarHBondContact O-N 2.65Å; H249-I251 PolarHBondContact O-N 2.67Å; H249-I251 VanDerWaalsContact O-N 3.07Å
250H23.8Very low24Very low161 Ų161152.4 Ų152.475%0.74578%0.775SS**  trans-53.4110.5167.8-75.7-91.6000109H248 N252H248-H250 PolarHBondContact O-CD2 2.97Å; H248-H250 PolarHBondContact O-N 3.4Å; H250-N252 PolarHBondContact O-N 3.18Å
251I24.5Very low24.2Very low151 Ų151148.7 Ų148.777%0.77477%0.771SS**  trans-74.966.9173.7-54.6165.5000107.5H249H249-I251 PolarHBondContact O-N 2.67Å; H249-I251 VanDerWaalsContact O-N 3.07Å
252N25.2Very low24.4Very low135 Ų135147.2 Ų147.272%0.72277%0.769SS**  trans-117.1-1.4179-94.95.5000114.6H250H250-N252 PolarHBondContact O-N 3.18Å
253N24.1Very low24.6Very low155 Ų155149.3 Ų149.383%0.82977%0.772SS**SBendtrans-1099.3-175.7-82.32.3000116.2
254H23.3Very low24.8Very low157 Ų157150.3 Ų150.373%0.72777%0.768SS**SBendtrans-99.93.5-175.4-81.8-65.3000116.4
255L24.1Very low25Very low151 Ų151151 Ų15179%0.79177%0.772SS**SBendtrans-87-15.8-175.9-92.4160.8000115.6
256N25Very low25.2Very low156 Ų156149 Ų14983%0.83476%0.757SS**SBendtrans-90.1-5.6-173.6-73.4-2.6000115.5
257W23.8Very low25.5Very low222 Ų222145.6 Ų145.684%0.84174%0.743SS**SBendtrans-91.9-14.4-176.2-162.559.1000114.4S259W257-S259 VanDerWaalsContact C-N 3.32Å; W257-S259 PolarHBondContact O-N 3.33Å
258L26.5Very low25.6Very low150 Ų150146 Ų14679%0.78574%0.744SS**THydrogen-bonded Turntrans-82.1-4.7-176.2-77.1165.3000114.5
259S25.4Very low25.7Very low102 Ų102145.5 Ų145.571%0.71374%0.744SS**THydrogen-bonded Turntrans-85.8-6.7-174.2-161.30000115.1W257W257-S259 VanDerWaalsContact C-N 3.32Å; W257-S259 PolarHBondContact O-N 3.33Å
260N24.4Very low26Very low132 Ų132145.7 Ų145.771%0.70674%0.742SS**  trans-130.3105.2-179-79.8-12.8000109.7
261N27.1Very low26.2Very low156 Ų156143.1 Ų143.183%0.83473%0.733SS**  trans172.694.9133-82.3-16.3000110
262N26.6Very low26.4Very low154 Ų154143.6 Ų143.682%0.82473%0.73SS**  trans-77.4159163.5-79.2-24.4000110.8
263N27.6Very low26.4Very low152 Ų152145.5 Ų145.581%0.81373%0.728SS**  trans80.272.4158.6-59.4-14.9000118.1
264D26.7Very low26.5Very low129 Ų129146.8 Ų146.869%0.6972%0.723SS**  trans-124.5100.9162.5-101.6-22.7000112.3S266 V267D264-S266 PolarHBondContact O-N 3.38Å; D264-V267 PolarHBondContact O-N 3.31Å
265K27.7Very low26.6Very low200 Ų200146.3 Ų146.387%0.8772%0.716SS**THydrogen-bonded Turntrans-57.7-1.8166.9-74.1178.5175.9176.60113.3V267K265-V267 VanDerWaalsContact C-N 3.29Å; K265-V267 PolarHBondContact O-N 2.94Å
266S28.6Very low26.9Very low69 Ų69144 Ų14448%0.48370%0.704SS.*Hα-helixtrans-71.9-17.7177.474.60000113.8D264 I268 M269D264-S266 PolarHBondContact O-N 3.38Å; S266-I268 VanDerWaalsContact C-N 3.35Å; S266-I268 PolarHBondContact O-N 3.3Å; S266-M269 PolarHBondContact O-N 3.41Å
267V30.2Very low27Very low70 Ų70142.5 Ų142.542%0.42469%0.692SS.*Hα-helixtrans-67.8-33.9-179.5-178.20000112D264 K265 M269 K270D264-V267 PolarHBondContact O-N 3.31Å; K265-V267 VanDerWaalsContact C-N 3.29Å; K265-V267 PolarHBondContact O-N 2.94Å; V267-M269 PolarHBondContact O-N 3.32Å; V267-K270 PolarHBondContact O-N 3.06Å
268I28.2Very low27.4Very low138 Ų138139.7 Ų139.771%0.70869%0.686SS**Hα-helixtrans-66.7-36.2-178.2-64175000111.5S266 K270 L271S266-I268 VanDerWaalsContact C-N 3.35Å; S266-I268 PolarHBondContact O-N 3.3Å; I268-K270 VanDerWaalsContact C-N 3.34Å; I268-K270 PolarHBondContact O-N 3.36Å; I268-L271 PolarHBondContact O-N 2.7Å
269M25.6Very low27.5Very low154 Ų154138.9 Ų138.976%0.75968%0.676SS**Hα-helixtrans-70.5-26.7-180-78.8-137.2-66.800113.8S266 V267S266-M269 PolarHBondContact O-N 3.41Å; V267-M269 PolarHBondContact O-N 3.32Å
270K28.6Very low27.7Very low165 Ų165139.4 Ų139.472%0.71767%0.671SS**Hα-helixtrans-75-25.3178.7-90.2-179176.9172.90113.6V267 I268V267-K270 PolarHBondContact O-N 3.06Å; I268-K270 VanDerWaalsContact C-N 3.34Å; I268-K270 PolarHBondContact O-N 3.36Å
271L26.8Very low28Very low107 Ų107140.6 Ų140.656%0.5668%0.677SS**Hα-helixtrans-70.5-35.6178.6-119.5111000112.2I268 Y273 Y274 Y275I268-L271 PolarHBondContact O-N 2.7Å; L271-Y273 VanDerWaalsContact C-N 3.29Å; L271-Y273 PolarHBondContact O-N 2.96Å; L271-Y274 PolarHBondContact O-N 2.99Å; L271-Y275 HydrophobicContact CD2-CD2 4.31Å; L271-Y275 HydrophobicContact CD2-CE2 4.18Å; L271-Y275 PolarHBondContact O-N 2.79Å
272K28.9Very low28.2Very low162 Ų162137.9 Ų137.970%0.70467%0.667SS**Hα-helixtrans-63.2-37.6179.1-152.6173.1-174.8-177.90111.8Y274K272-Y274 VanDerWaalsContact C-N 3.31Å; K272-Y274 PolarHBondContact O-N 2.86Å
273Y26.1Very low28.2Very low175 Ų175136.9 Ų136.969%0.68666%0.661SS**Hα-helixtrans-69.1-24.9178.8-124.5-80.1000114.4L271L271-Y273 VanDerWaalsContact C-N 3.29Å; L271-Y273 PolarHBondContact O-N 2.96Å
274Y25.4Very low28.3Very low181 Ų181139 Ų13971%0.7166%0.663SS**Hα-helixtrans-88.7-27.1-177.8-106.2-80.1000113.6L271 K272L271-Y274 PolarHBondContact O-N 2.99Å; K272-Y274 VanDerWaalsContact C-N 3.31Å; K272-Y274 PolarHBondContact O-N 2.86Å
275Y26.2Very low28.3Very low148 Ų148139.2 Ų139.258%0.5867%0.672SS**Hα-helixtrans-79.4-37178.6-96.6-81.6000112.9L271 H277 F278 F279L271-Y275 HydrophobicContact CD2-CD2 4.31Å; L271-Y275 HydrophobicContact CD2-CE2 4.18Å; L271-Y275 PolarHBondContact O-N 2.79Å; Y275-H277 VanDerWaalsContact C-N 3.3Å; Y275-H277 PolarHBondContact O-N 2.95Å; Y275-F278 PolarHBondContact O-N 3.45Å; Y275-F279 HydrophobicContact CD1-CE2 4.1Å; Y275-F279 WeakPolarHBondContact O-CD2 3.22Å
276D28.9Very low28.3Very low101 Ų101132.7 Ų132.754%0.5466%0.661SS.*Hα-helixtrans-64.7-35.7179.7-69.5-16.7000111.7F278 F279 D280D276-F278 VanDerWaalsContact C-N 3.33Å; D276-F278 PolarHBondContact O-N 2.97Å; D276-F279 PolarHBondContact O-N 3.01Å; D276-D280 PolarHBondContact O-N 3.23Å
277H28.8Very low28.3Very low126 Ų126139 Ų13958%0.58368%0.676SS**Hα-helixtrans-72.3-18179.6-89.9-45.9000115.4Y275Y275-H277 VanDerWaalsContact C-N 3.3Å; Y275-H277 PolarHBondContact O-N 2.95Å
278F31.9Very low28.4Very low163 Ų163143.1 Ų143.172%0.71570%0.696SS**Hα-helixtrans-85.1-17.3175.9-105.6-83000113.4Y275 D276Y275-F278 PolarHBondContact O-N 3.45Å; D276-F278 VanDerWaalsContact C-N 3.33Å; D276-F278 PolarHBondContact O-N 2.97Å
279F28.2Very low28.6Very low132 Ų132141.5 Ų141.558%0.57969%0.688SS**Hα-helixtrans-104.3-18.3180-69.8-68.8000114.2Y275 D276 D281 T282Y275-F279 HydrophobicContact CD1-CE2 4.1Å; Y275-F279 WeakPolarHBondContact O-CD2 3.22Å; D276-F279 PolarHBondContact O-N 3.01Å; F279-D281 PolarHBondContact O-N 3.05Å; F279-T282 PolarHBondContact O-N 3.36Å; F279-T282 PolarHBondContact O-OG1 3.31Å
280D29.5Very low29.1Very low114 Ų114144.1 Ų144.161%0.6170%0.695SS**Hα-helixtrans-67-33.4176.7-95.5-12.2000113.3D276 T282 N283D276-D280 PolarHBondContact O-N 3.23Å; D280-T282 PolarHBondContact O-N 3.1Å; D280-N283 PolarHBondContact O-N 3.36Å
281D29.6Very low29.4Very low156 Ų156140.4 Ų140.483%0.83469%0.69SS**THydrogen-bonded Turntrans-73.6-10.9-179.4-81.2-9000113.5F279F279-D281 PolarHBondContact O-N 3.05Å
282T31.3Very low29.6Very low100 Ų100145.9 Ų145.961%0.61371%0.705SS**THydrogen-bonded Turntrans-92.2-15.5177.2430000114.8F279 D280F279-T282 PolarHBondContact O-N 3.36Å; F279-T282 PolarHBondContact O-OG1 3.31Å; D280-T282 PolarHBondContact O-N 3.1Å
283N28.3Very low29.8Very low133 Ų133145.5 Ų145.571%0.71171%0.711SS**SBendtrans-122.431.5-167.1-79-20.3000116.4D280D280-N283 PolarHBondContact O-N 3.36Å
284K28.1Very low30.2Very low195 Ų195146.1 Ų146.185%0.84872%0.717SS**  trans-128.3103.4161.2-81.1-177-179.1168.70113.1
285P26.6Very low30.8Very low134 Ų134141.7 Ų141.787%0.8771%0.71SS**  trans-77.5123.3167.730.7-28.5000109
286G28.3Very low31.1Very low63 Ų63144.2 Ų144.265%0.64973%0.725SS**  trans-179.818179.500000118.6
287Y29.7Very low31.3Very low203 Ų203149 Ų14980%0.79674%0.736SS**  trans-123.983.4171.3-79.6-80.6000111.1D289Y287-D289 HydrophobicContact CD1-CB 4.24Å; Y287-D289 WeakPolarHBondContact CD1-OD2 3.33Å; Y287-D289 PolarHBondContact O-N 3.39Å; Y287-D289 VanDerWaalsContact O-N 3.11Å
288D30.7Very low31.6Very low156 Ų156151.1 Ų151.183%0.83475%0.746SS**  trans-68.124.1156.9-113-21000112.3K290D288-K290 PolarHBondContact O-N 3.48Å
289D33.2Very low31.8Very low103 Ų103152.2 Ų152.255%0.55175%0.754SS**  trans-82.493.5178-86-21.5000109.7Y287 S291Y287-D289 HydrophobicContact CD1-CB 4.24Å; Y287-D289 WeakPolarHBondContact CD1-OD2 3.33Å; Y287-D289 PolarHBondContact O-N 3.39Å; Y287-D289 VanDerWaalsContact O-N 3.11Å; D289-S291 PolarHBondContact O-N 3.37Å
290K35Very low32.2Very low209 Ų209156 Ų15691%0.90977%0.766SS**THydrogen-bonded Turntrans-57.932.3168.3-67.6177.1177171.20114.5D288D288-K290 PolarHBondContact O-N 3.48Å
291S34.9Very low32.4Very low88 Ų88159.3 Ų159.362%0.61578%0.777SS**THydrogen-bonded Turntrans-120.712.1-177.775.90000114.6D289 N293D289-S291 PolarHBondContact O-N 3.37Å; S291-N293 VanDerWaalsContact C-N 3.25Å; S291-N293 PolarHBondContact O-N 3.5Å
292Y31Very low32.8Very low222 Ų222159.2 Ų159.287%0.87178%0.777SS**  trans-59.698162.4-92.9-84.9000108.5K294Y292-K294 VanDerWaalsContact C-N 3.27Å; Y292-K294 PolarHBondContact O-N 2.95Å
293N34.9Very low32.9Very low154 Ų154161.8 Ų161.882%0.82479%0.785SS**  trans-47.797.7165-84-38000106.6S291 P295S291-N293 VanDerWaalsContact C-N 3.25Å; S291-N293 PolarHBondContact O-N 3.5Å; N293-P295 WeakPolarHBondContact O-CD 3.48Å
294K33.5Very low33.3Very low187 Ų187164.7 Ų164.781%0.81379%0.792SS**  trans-49.5121.5174.1-83.4-178.1178.2179.70105.9Y292 K296Y292-K294 VanDerWaalsContact C-N 3.27Å; Y292-K294 PolarHBondContact O-N 2.95Å; K294-K296 PolarHBondContact O-N 2.99Å
295P37.5Very low33.7Very low88 Ų88164.6 Ų164.657%0.57179%0.786SS**  trans-52.6118.5176.318.5-28.7000106.5N293 Y297N293-P295 WeakPolarHBondContact O-CD 3.48Å; P295-Y297 HydrophobicContact CG-CE2 4.24Å; P295-Y297 VanDerWaalsContact O-CD2 3.28Å; P295-Y297 WeakPolarHBondContact O-CD2 3.48Å; P295-Y297 PolarHBondContact O-N 2.93Å
296K32.8Very low34.1Very low202 Ų202165.4 Ų165.488%0.87878%0.782SS**  trans-62.996.6171.9-77.2-177.2177.8-179.50105.2K294 Q298K294-K296 PolarHBondContact O-N 2.99Å; K296-Q298 PolarHBondContact O-N 2.85Å
297Y33.6Very low34.4Very low200 Ų200171 Ų17178%0.78479%0.785SS**  trans-57.2108.5169.5-70.2-83.4000106P295 E299P295-Y297 HydrophobicContact CG-CE2 4.24Å; P295-Y297 VanDerWaalsContact O-CD2 3.28Å; P295-Y297 WeakPolarHBondContact O-CD2 3.48Å; P295-Y297 PolarHBondContact O-N 2.93Å; Y297-E299 PolarHBondContact O-N 3.25Å
298Q34.2Very low34.7Very low171 Ų171170.7 Ų170.780%0.79979%0.787SS**  trans-57.1114.4167.9-83179.3-29.900105.8K296 Y300K296-Q298 PolarHBondContact O-N 2.85Å; Q298-Y300 WeakPolarHBondContact O-CD2 3.5Å; Q298-Y300 PolarHBondContact O-N 2.97Å
299E36.3Very low35Very low186 Ų186172.5 Ų172.587%0.86979%0.787SS**  trans-56.9103.2175-153.1172.2-162.100106.6Y297 Q301Y297-E299 PolarHBondContact O-N 3.25Å; E299-Q301 PolarHBondContact O-N 2.95Å
300Y36.2Very low35.2Very low213 Ų213172.8 Ų172.884%0.83580%0.795SS**  trans-61.3109.4-179.1-79-91000107.3Q298 N302Q298-Y300 WeakPolarHBondContact O-CD2 3.5Å; Q298-Y300 PolarHBondContact O-N 2.97Å; Y300-N302 PolarHBondContact O-N 2.99Å
301Q34.1Very low35.4Very low182 Ų182169.1 Ų169.185%0.8579%0.79SS**  trans-58.4111172.3-72.6-168.1-7.800107.8E299 I303E299-Q301 PolarHBondContact O-N 2.95Å; Q301-I303 PolarHBondContact O-N 3.17Å
302N38.3Very low35.6Very low155 Ų155170.1 Ų170.183%0.82979%0.793SS**  trans-55.7105.3175-87.1-32.7000108.7Y300 K304Y300-N302 PolarHBondContact O-N 2.99Å; N302-K304 PolarHBondContact O-N 2.96Å
303I33.5Very low36.1Very low153 Ų153166.2 Ų166.279%0.78579%0.787SS**  trans-60.5108.6178.5-60.2170.9000107Q301 R305Q301-I303 PolarHBondContact O-N 3.17Å; I303-R305 PolarHBondContact O-N 2.95Å
304K37Very low36.3Very low194 Ų194165 Ų16584%0.84379%0.785SS**  trans-60100.5173.7-78.5-176.4176.9178.10108.4N302 I306N302-K304 PolarHBondContact O-N 2.96Å; K304-I306 PolarHBondContact O-N 3.13Å; K304-I306 VanDerWaalsContact O-N 3.11Å
305R36Very low36.4Very low193 Ų193166.6 Ų166.673%0.72879%0.785SS**  trans-71.5102.3173.1-67.3-175-179.3-161.60.5108.5I303 Y307I303-R305 PolarHBondContact O-N 2.95Å; R305-Y307 HydrophobicContact CB-CD2 4.26Å; R305-Y307 HydrophobicContact CB-CE2 3.68Å; R305-Y307 VanDerWaalsContact CD-OH 3.29Å; R305-Y307 WeakPolarHBondContact CD-OH 3.33Å; R305-Y307 WeakPolarHBondContact O-CD2 3.42Å; R305-Y307 PolarHBondContact O-N 2.89Å
306I34.5Very low36.4Very low152 Ų152172 Ų17278%0.77980%0.8SS**  trans-81.398.2171.8-57.6172.4000107.2K304 K308K304-I306 PolarHBondContact O-N 3.13Å; K304-I306 VanDerWaalsContact O-N 3.11Å; I306-K308 PolarHBondContact O-N 2.72Å
307Y35.7Very low36.7Very low181 Ų181168.7 Ų168.771%0.7180%0.796SS**  trans-76.8102.2172.5-64.4-82.8000108.9R305 K309R305-Y307 HydrophobicContact CB-CD2 4.26Å; R305-Y307 HydrophobicContact CB-CE2 3.68Å; R305-Y307 VanDerWaalsContact CD-OH 3.29Å; R305-Y307 WeakPolarHBondContact CD-OH 3.33Å; R305-Y307 WeakPolarHBondContact O-CD2 3.42Å; R305-Y307 PolarHBondContact O-N 2.89Å; Y307-K309 PolarHBondContact O-N 2.98Å
308K35.2Very low36.8Very low195 Ų195163 Ų16385%0.84879%0.786SS**PPolyproline II helixtrans-69.2118.8164.8-91.6-178.9173.3177.80108I306I306-K308 PolarHBondContact O-N 2.72Å
309K37.7Very low36.9Very low194 Ų194162.7 Ų162.784%0.84379%0.79SS**PPolyproline II helixtrans-57.4133.9168.2-86.2-177.5176.5178.50108.5Y307 T311Y307-K309 PolarHBondContact O-N 2.98Å; K309-T311 PolarHBondContact O-N 2.73Å
310P38.3Very low36.9Very low110 Ų110160.2 Ų160.271%0.71478%0.783SS**PPolyproline II helixtrans-61.5121.4175.923.3-30.4000109V312P310-V312 VanDerWaalsContact C-N 3.26Å; P310-V312 PolarHBondContact O-N 2.74Å
311T37.5Very low37Very low131 Ų131156.4 Ų156.480%0.80478%0.781SS**  trans-6992.2163.234.60000107.1K309 N313K309-T311 PolarHBondContact O-N 2.73Å; T311-N313 VanDerWaalsContact C-N 3.35Å; T311-N313 PolarHBondContact O-N 3.11Å
312V39.8Very low36.9Very low110 Ų110157.5 Ų157.567%0.66778%0.779SS**  trans-68.2100170.1-174.20000106P310 V314P310-V312 VanDerWaalsContact C-N 3.26Å; P310-V312 PolarHBondContact O-N 2.74Å; V312-V314 VanDerWaalsContact C-N 3.28Å; V312-V314 HydrophobicContact CG1-CG2 4.49Å; V312-V314 PolarHBondContact O-N 2.97Å
313N41.7Very low36.7Very low139 Ų139160.4 Ų160.474%0.74378%0.784SS**  trans-63.5100.1162.8-76.5-20.9000105.9T311 R315T311-N313 VanDerWaalsContact C-N 3.35Å; T311-N313 PolarHBondContact O-N 3.11Å; N313-R315 PolarHBondContact O-N 2.72Å
314V38.4Very low36.8Very low129 Ų129160.5 Ų160.578%0.78278%0.781SS**  trans-66.178174.2-172.40000107.2V312 K316V312-V314 VanDerWaalsContact C-N 3.28Å; V312-V314 HydrophobicContact CG1-CG2 4.49Å; V312-V314 PolarHBondContact O-N 2.97Å; V314-K316 PolarHBondContact O-N 3.19Å
315R35.6Very low36.7Very low220 Ų220162.4 Ų162.483%0.8378%0.783SS**  trans-69.3111.1160.9-86.2-174.5179180-0.2105.2N313 V317N313-R315 PolarHBondContact O-N 2.72Å; R315-V317 PolarHBondContact O-N 3.1Å
316K38.9Very low36.6Very low202 Ų202163.1 Ų163.188%0.87879%0.792SS**  trans-43.5100.8166-68.1177176.9179.50107.7V314 S318V314-K316 PolarHBondContact O-N 3.19Å; K316-S318 PolarHBondContact O-N 3.06Å
317V38.1Very low36.7Very low132 Ų132159.6 Ų159.680%0.879%0.793SS**  trans-77.1105.7168-1760000103.9R315 N319R315-V317 PolarHBondContact O-N 3.1Å; V317-N319 PolarHBondContact O-N 2.86Å
318S35.4Very low36.5Very low80 Ų80160.8 Ų160.856%0.55980%0.802SS**  trans-57.7133.2176.548.10000109.6K316 D320K316-S318 PolarHBondContact O-N 3.06Å; S318-D320 VanDerWaalsContact C-N 3.33Å; S318-D320 PolarHBondContact O-N 2.88Å; S318-D320 PolarHBondContact OG-OD2 3.05Å
319N36.2Very low36.4Very low166 Ų166157 Ų15789%0.88880%0.8SS**  trans-68.284.1175.7-75.4-26.7000110V317V317-N319 PolarHBondContact O-N 2.86Å
320D36.4Very low36.1Very low134 Ų134154.4 Ų154.472%0.71780%0.795SS**  trans-106.114.5-177.8-80.5-43.5000115.4S318S318-D320 VanDerWaalsContact C-N 3.33Å; S318-D320 PolarHBondContact O-N 2.88Å; S318-D320 PolarHBondContact OG-OD2 3.05Å
321V38Very low35.9Very low133 Ų133156.2 Ų156.281%0.80680%0.799SS**SBendtrans-123.19.9-169.7-164.20000116.4
322Y32.6Very low35.8Very low204 Ų204159.1 Ų159.180%0.880%0.8SS**  trans-124.777.6171.5-106.2-94000112.2E324Y322-E324 HydrophobicContact CD1-CB 4.25Å; Y322-E324 PolarHBondContact O-N 2.96Å
323K34.6Very low35.4Very low217 Ų217163.3 Ų163.394%0.94381%0.812SS**  trans-93.373.3160.8-79.5-175.8178.2174.50108.8
324E36Very low35.1Very low154 Ų154167 Ų16772%0.7282%0.816SS**  trans-86.9117.2170.8-141.4171.5-16900110.1Y322Y322-E324 HydrophobicContact CD1-CB 4.25Å; Y322-E324 PolarHBondContact O-N 2.96Å
325R34.3Very low34.9Very low234 Ų234169.2 Ų169.288%0.88382%0.817SS**  trans-3.4107166.6-67.2172.3176.3-176.6-2.1118.3G327R325-G327 PolarHBondContact O-N 2.93Å
326K33.7Very low34.6Very low209 Ų209166.3 Ų166.391%0.90981%0.813SS**  trans25.179.6133.2-61.5-167.2178.8-176.60117.1
327G37.2Very low34.2Very low78 Ų78165.7 Ų165.780%0.80481%0.813SS**  trans-92.2105.7150.300000109.2R325 S329R325-G327 PolarHBondContact O-N 2.93Å; G327-S329 PolarHBondContact O-N 2.81Å
328K31.3Very low33.8Very low206 Ų206168.4 Ų168.490%0.89681%0.811SS**  trans-72.1102.9169.7-73.5179.2176.4-179.80108.2
329S32Very low33.5Very low115 Ų115168.4 Ų168.480%0.80482%0.823SS**  trans-130.9111157.5-176.10000107G327G327-S329 PolarHBondContact O-N 2.81Å
330N33.2Very low33.3Very low139 Ų139169.4 Ų169.474%0.74382%0.819SS**  trans-62.8151.6166.7-69.2-19.3000109.3
331D33.2Very low33.1Very low149 Ų149170.4 Ų170.480%0.79783%0.825SS**  trans119.2123.2148.8-62.8-18.1000116.6
332K35Very low33.1Very low192 Ų192172.9 Ų172.984%0.83583%0.827SS**  trans91.774.2163.7-61.6174.6-175.3172.60116.7R334K332-R334 PolarHBondContact O-N 2.95Å
333E32.2Very low33.1Very low197 Ų197173.6 Ų173.692%0.92183%0.83SS**  -21.2111.6129.8-165175.4-144.600113
334R35.1Very low33Very low218 Ų218173.9 Ų173.982%0.82383%0.827SS**  trans-157.1105157.7-147175.8-82-147.8-1.1112.3K332K332-R334 PolarHBondContact O-N 2.95Å
335H33.5Very low32.9Very low175 Ų175175.6 Ų175.681%0.8184%0.835SS**  trans48.5105.7149.9-68.1-65.4000120.7E337H335-E337 PolarHBondContact O-N 2.77Å
336E30.8Very low33Very low159 Ų159173.9 Ų173.974%0.74383%0.834SS**  trans-61.5110.2150.9-64.5174.2161.500109.7Y338E336-Y338 HydrophobicContact CB-CD2 4.4Å; E336-Y338 HydrophobicContact CB-CE2 4.02Å
337E29.7Very low33.2Very low189 Ų189169.4 Ų169.488%0.88383%0.829SS**  trans-107102.4166.5-156.7171.7-161.300108.7H335 G339H335-E337 PolarHBondContact O-N 2.77Å; E337-G339 VanDerWaalsContact C-N 3.33Å; E337-G339 PolarHBondContact O-N 3.04Å
338Y28.7Very low33.1Very low189 Ų189174.6 Ų174.674%0.74183%0.83SS**  trans-68.988.3174-71.9-90.3000109.6E336 K340E336-Y338 HydrophobicContact CB-CD2 4.4Å; E336-Y338 HydrophobicContact CB-CE2 4.02Å; Y338-K340 PolarHBondContact O-N 3.42Å; Y338-K340 VanDerWaalsContact O-N 3.1Å
339G30.6Very low33.4Very low79 Ų79170 Ų17081%0.81482%0.821SS**  trans-67.5102.1170.100000111.3E337E337-G339 VanDerWaalsContact C-N 3.33Å; E337-G339 PolarHBondContact O-N 3.04Å
340K30.7Very low33.7Very low187 Ų187172.5 Ų172.581%0.81383%0.825SS**  trans-47133.9177.3-72.9167.4174.7171.30114.4Y338 Q342Y338-K340 PolarHBondContact O-N 3.42Å; Y338-K340 VanDerWaalsContact O-N 3.1Å; K340-Q342 PolarHBondContact O-N 2.79Å; K340-Q342 VanDerWaalsContact O-N 3.12Å
341D33.7Very low33.8Very low156 Ų156173.5 Ų173.583%0.83483%0.831SS**  trans-11.694.8153.8-56.4-41.1000115.8Y343D341-Y343 PolarHBondContact O-N 3.48Å
342Q36.9Very low33.7Very low184 Ų184169.3 Ų169.386%0.8682%0.822SS**  trans-81.3109.3165.1-73.7-162.4-16.900109.8K340K340-Q342 PolarHBondContact O-N 2.79Å; K340-Q342 VanDerWaalsContact O-N 3.12Å
343Y32.6Very low33.7Very low219 Ų219169.6 Ų169.686%0.85982%0.823SS**  trans-45.6131.4173.2-104.7-114.6000112.8D341 E345D341-Y343 PolarHBondContact O-N 3.48Å; Y343-E345 PolarHBondContact O-N 3.33Å; Y343-E345 VanDerWaalsContact O-N 3.08Å
344Y32Very low34Very low224 Ų224166.6 Ų166.688%0.87881%0.814SS**  trans-69.195.4170.2-78.3-93.7000110.6K346Y344-K346 PolarHBondContact O-N 2.97Å
345E34.9Very low34.2Very low190 Ų190167.3 Ų167.389%0.88882%0.818SS**  trans-77.3107.4161.1-129.4178-175.400108.4Y343 S347Y343-E345 PolarHBondContact O-N 3.33Å; Y343-E345 VanDerWaalsContact O-N 3.08Å; E345-S347 PolarHBondContact O-N 3.24Å
346K36.7Very low34.6Very low197 Ų197165.8 Ų165.886%0.85782%0.815SS**  trans-63.198.5172.7-82174.8176.3170.50108.6Y344 K348Y344-K346 PolarHBondContact O-N 2.97Å; K346-K348 PolarHBondContact O-N 2.85Å
347S37Very low35.1Very low116 Ų116165.5 Ų165.581%0.81182%0.819SS**PPolyproline II helixtrans-57.1119.9167.735.70000109.5E345E345-S347 PolarHBondContact O-N 3.24Å
348K35.8Very low35.6Very low187 Ų187165.6 Ų165.681%0.81382%0.816SS**PPolyproline II helixtrans-62.1140.9174.2-71177.3179.8171.60108.6K346 D350K346-K348 PolarHBondContact O-N 2.85Å; K348-D350 PolarHBondContact O-N 2.93Å
349P36.5Very low36.2Very low109 Ų109165.4 Ų165.471%0.70882%0.819SS**PPolyproline II helixtrans-65.8123.3177.627-32.1000109.2N351P349-N351 VanDerWaalsContact C-N 3.34Å; P349-N351 PolarHBondContact O-N 2.73Å
350D38.4Very low36.7Very low168 Ų168166.5 Ų166.590%0.89881%0.81SS**  trans-60.495.8171-85.4-33.9000109.5K348 G352K348-D350 PolarHBondContact O-N 2.93Å; D350-G352 PolarHBondContact O-N 3.47Å; D350-G352 VanDerWaalsContact O-N 3.14Å
351N36.4Very low37.2Very low160 Ų160165 Ų16586%0.85681%0.811SS**  trans-73.599.4168.6-85.1-11.9000108.5P349P349-N351 VanDerWaalsContact C-N 3.34Å; P349-N351 PolarHBondContact O-N 2.73Å
352G30.6Very low37.5Very low60 Ų60166.7 Ų166.762%0.61981%0.807SS**  trans95.998.8155.500000114.3D350D350-G352 PolarHBondContact O-N 3.47Å; D350-G352 VanDerWaalsContact O-N 3.14Å
353K35.9Very low37.7Very low198 Ų198164.5 Ų164.586%0.86180%0.801SS**  trans-173.4141.4137.5-97.3152.7-164.1-172.30110
354N38Very low38.2Very low134 Ų134163 Ų16372%0.71780%0.802SS**  trans77.463.6160.2-59.4-12.6000118.6L356N354-L356 PolarHBondContact O-N 2.89Å
355Y39.7Very low38.9Very low233 Ų233158 Ų15891%0.91479%0.794SS**  trans-76.389136.5-67.9-81.1000107.2D357Y355-D357 PolarHBondContact O-N 2.89Å
356L41Very low39.2Very low143 Ų143157.8 Ų157.875%0.74979%0.791SS**  trans-67.4109.4160.6-89.1154.1000106.5N354 K358N354-L356 PolarHBondContact O-N 2.89Å; L356-K358 PolarHBondContact O-N 2.96Å
357D41.5Very low39.5Very low153 Ų153155.7 Ų155.782%0.81879%0.789SS**  trans-55.288.6166.1-91.7-26.2000109.1Y355 K359Y355-D357 PolarHBondContact O-N 2.89Å; D357-K359 VanDerWaalsContact C-N 3.26Å; D357-K359 PolarHBondContact O-N 2.86Å
358K40.3Very low39.6Very low191 Ų191159.1 Ų159.183%0.8379%0.789SS**  trans-71.690.2164.3-80.3-175.3175.2-176.80107.1L356 T360L356-K358 PolarHBondContact O-N 2.96Å; K358-T360 PolarHBondContact O-N 2.86Å
359K40.7Very low39.8Very low186 Ų186159.8 Ų159.881%0.80979%0.792SS**  trans-57.3108.8160.1-71.8-176.9178179.50107D357 D361D357-K359 VanDerWaalsContact C-N 3.26Å; D357-K359 PolarHBondContact O-N 2.86Å; K359-D361 PolarHBondContact O-N 2.95Å
360T42.1Very low40.2Very low102 Ų102162 Ų16263%0.62680%0.796SS**  trans-70.3111.7170.729.30000108.6K358 Y362K358-T360 PolarHBondContact O-N 2.86Å; T360-Y362 HydrophobicContact CG2-CE2 4.39Å; T360-Y362 WeakPolarHBondContact O-CD2 3.43Å; T360-Y362 PolarHBondContact O-N 3.48Å; T360-Y362 VanDerWaalsContact OG1-CE2 3.32Å; T360-Y362 WeakPolarHBondContact OG1-CE2 3.33Å
361D40.4Very low40.4Very low155 Ų155158.7 Ų158.783%0.82978%0.784SS**  trans-64.497.8171.4-69.3-40.7000109.6K359K359-D361 PolarHBondContact O-N 2.95Å
362Y41Very low40.7Very low192 Ų192160.7 Ų160.775%0.75379%0.788SS**  trans-909.9-175.2-98.3-80.2000114.4T360T360-Y362 HydrophobicContact CG2-CE2 4.39Å; T360-Y362 WeakPolarHBondContact O-CD2 3.43Å; T360-Y362 PolarHBondContact O-N 3.48Å; T360-Y362 VanDerWaalsContact OG1-CE2 3.32Å; T360-Y362 WeakPolarHBondContact OG1-CE2 3.33Å
363D40Very low41.2Very low138 Ų138166.2 Ų166.274%0.73880%0.795SS**  trans-103.7-7.4-170.7-75.9-32.5000116.3V365D363-V365 PolarHBondContact O-N 3.01Å
364E43.3Very low41.6Very low187 Ų187166.4 Ų166.487%0.87480%0.796SS**G310 helixtrans-80-7.1-174.5-93.1-170.3163.300116.3K366E364-K366 PolarHBondContact O-N 2.89Å
365V45.8Very low41.6Very low118 Ų118170.2 Ų170.272%0.71581%0.806SS**G310 helixtrans-89.5-3.7-169.9-166.80000114.1D363 N367D363-V365 PolarHBondContact O-N 3.01Å; V365-N367 VanDerWaalsContact C-N 3.26Å; V365-N367 PolarHBondContact O-N 3.06Å; V365-N367 VanDerWaalsContact O-N 3.11Å
366K41.8Very low42Very low186 Ų186161.7 Ų161.781%0.80978%0.784SS**G310 helixtrans-69.2-8.9-173.6-83.1-175.1178.4174.10116.5E364E364-K366 PolarHBondContact O-N 2.89Å
367N43.2Very low42.4Very low153 Ų153163.8 Ų163.882%0.81879%0.787SS**G310 helixtrans-114.723.1-169.7-74.4-20.2000117V365 K369V365-N367 VanDerWaalsContact C-N 3.26Å; V365-N367 PolarHBondContact O-N 3.06Å; V365-N367 VanDerWaalsContact O-N 3.11Å; N367-K369 PolarHBondContact O-N 3.08Å
368K40.3Very low42.6Very low188 Ų188160.9 Ų160.982%0.81778%0.779SS**  trans-84.194.4170.5-79-174.9177.4176.30111.4I370K368-I370 PolarHBondContact O-N 3.06Å
369K39.6Very low43Very low201 Ų201158.5 Ų158.587%0.87477%0.771SS**PPolyproline II helixtrans-52.2123.4166-75.1-179.2175.9179.70109.9N367N367-K369 PolarHBondContact O-N 3.08Å
370I44Very low43.6Very low156 Ų156156.8 Ų156.880%0.877%0.766SS**PPolyproline II helixtrans-76.7130.9179-61.6171.9000108.7K368 E372K368-I370 PolarHBondContact O-N 3.06Å; I370-E372 PolarHBondContact O-N 2.82Å
371P42.2Very low44.1Very low99 Ų99159.2 Ų159.264%0.64377%0.768SS**PPolyproline II helixtrans-71.9126.5-178.825.2-31.5000112.4K373P371-K373 PolarHBondContact O-N 2.84Å
372E42.5Very low44.6Very low201 Ų201155.6 Ų155.694%0.93975%0.754SS**  trans-64.195.2171.9-68.9179.8160.200110.3I370I370-E372 PolarHBondContact O-N 2.82Å
373K42.4Very low45.3Very low177 Ų177153.2 Ų153.277%0.7775%0.75SS**  trans-116.1111.2171.7-78.7-173.1177.2-179.40110.8P371P371-K373 PolarHBondContact O-N 2.84Å
374K43Very low45.9Very low201 Ų201153 Ų15387%0.87475%0.745SS**  trans60.678.3144.8-58.9-174.5176.4-173.70116.9
375K39.6Very low46.3Very low214 Ų214149.4 Ų149.493%0.9373%0.731SS**  trans-55.9146.2139.6-63.3-179.2178.6-178.20107.6
376A48.1Very low47.2Very low55 Ų55151.7 Ų151.746%0.45573%0.732SS.*  cis-152.4120.70.400000105
377K48.1Very low48.3Very low186 Ų186150.3 Ų150.381%0.80973%0.726SS**SBendtrans-117-9.1166.9-93.2-170.9174.9-172.30112
378S45.4Very low49Very low92 Ų92148.7 Ų148.764%0.64371%0.713SS**Hα-helixtrans-83.7-27.7-179.954.80000112.7S382S378-S382 PolarHBondContact O-N 3.19Å
379E49.6Very low49.6Very low141 Ų141144.1 Ų144.166%0.65970%0.701SS**Hα-helixtrans-70.6-41.4-180-79.5173.316400112K381 S382 E383E379-K381 PolarHBondContact O-N 2.85Å; E379-S382 WeakPolarHBondContact O-CB 3.39Å; E379-S382 PolarHBondContact O-N 2.92Å; E379-S382 VanDerWaalsContact O-N 3.1Å; E379-E383 PolarHBondContact O-N 2.95Å
380E53.1Low50.4Low151 Ų151141.6 Ų141.671%0.70669%0.692SS**Hα-helixtrans-59.3-41.8175.1-93.2-179.315700112.8S382 E383 E384E380-S382 PolarHBondContact O-N 3Å; E380-E383 PolarHBondContact O-N 3.2Å; E380-E384 PolarHBondContact O-N 3.32Å
381K52.7Low51Low153 Ų153141.4 Ų141.467%0.66569%0.686SS**Hα-helixtrans-67.3-24.9177.9-90.8-170.8173.1-172.80113.6E379E379-K381 PolarHBondContact O-N 2.85Å
382S50.4Low51.6Low79 Ų79141.8 Ų141.855%0.55268%0.682SS**Hα-helixtrans-73.7-39.2178.8-179.10000111.6S378 E379 E380 K386S378-S382 PolarHBondContact O-N 3.19Å; E379-S382 WeakPolarHBondContact O-CB 3.39Å; E379-S382 PolarHBondContact O-N 2.92Å; E379-S382 VanDerWaalsContact O-N 3.1Å; E380-S382 PolarHBondContact O-N 3Å; S382-K386 PolarHBondContact O-N 3.46Å
383E55.7Low52.1Low142 Ų142136 Ų13666%0.66466%0.661SS**Hα-helixtrans-72.1-34.8179.9-82-175.9153.900112.9E379 E380 K386 K387E379-E383 PolarHBondContact O-N 2.95Å; E380-E383 PolarHBondContact O-N 3.2Å; E383-K386 PolarHBondContact O-N 3.22Å; E383-K387 PolarHBondContact O-N 3.21Å
384E54Low52.6Low134 Ų134134.6 Ų134.663%0.62665%0.654SS**Hα-helixtrans-65.7-43.2178.8-158.8169.6-154.300111.7E380 K386 K387 Q388E380-E384 PolarHBondContact O-N 3.32Å; E384-K386 VanDerWaalsContact C-N 3.28Å; E384-K386 PolarHBondContact O-N 3.26Å; E384-K387 PolarHBondContact O-N 3.25Å; E384-Q388 PolarHBondContact O-N 2.86Å
385N51.2Low52.9Low111 Ų111132.8 Ų132.859%0.59464%0.643SS**Hα-helixtrans-62.3-34.7175.6-78.2-17.1000112.7Q388 V389N385-Q388 PolarHBondContact O-N 3.11Å; N385-V389 WeakPolarHBondContact O-CG2 3.28Å; N385-V389 PolarHBondContact O-N 2.96Å
386K63.7Low53.4Low165 Ų165126 Ų12672%0.71762%0.623SS**Hα-helixtrans-68.2-38.3-178.6-147.4179-175.6-1750111.8S382 E383 E384 E390S382-K386 PolarHBondContact O-N 3.46Å; E383-K386 PolarHBondContact O-N 3.22Å; E384-K386 VanDerWaalsContact C-N 3.28Å; E384-K386 PolarHBondContact O-N 3.26Å; K386-E390 PolarHBondContact O-N 2.75Å
387K64.5Low53.6Low157 Ų157132.1 Ų132.168%0.68363%0.634SS**Hα-helixtrans-70-31.7175.8-73.8-178-179.9173.80113.2E383 E384 K391E383-K387 PolarHBondContact O-N 3.21Å; E384-K387 PolarHBondContact O-N 3.25Å; K387-K391 PolarHBondContact O-N 2.91Å
388Q58Low53.8Low119 Ų119128.4 Ų128.456%0.55662%0.62SS**Hα-helixtrans-67.1-47.7177.7-156.493.617.200111.1E384 N385 E390 K391 D392E384-Q388 PolarHBondContact O-N 2.86Å; N385-Q388 PolarHBondContact O-N 3.11Å; Q388-E390 VanDerWaalsContact C-N 3.27Å; Q388-E390 PolarHBondContact O-N 3.02Å; Q388-K391 PolarHBondContact O-N 3.47Å; Q388-K391 VanDerWaalsContact O-N 3.17Å; Q388-D392 PolarHBondContact O-N 3.35Å
389V53Low54.1Low93 Ų93129.2 Ų129.256%0.56462%0.617SS**Hα-helixtrans-60.9-36.9-179.8175.50000111.6N385 K391 D392 V393N385-V389 WeakPolarHBondContact O-CG2 3.28Å; N385-V389 PolarHBondContact O-N 2.96Å; V389-K391 PolarHBondContact O-N 3.37Å; V389-D392 PolarHBondContact O-N 2.91Å; V389-V393 HydrophobicContact CG1-CG2 4.46Å; V389-V393 WeakPolarHBondContact O-CG2 3.37Å; V389-V393 PolarHBondContact O-N 3.1Å
390E57.2Low54.2Low148 Ų148127.1 Ų127.169%0.69261%0.61SS**Hα-helixtrans-68.2-32.5179.6-132.5173.3-165.800113.1K386 Q388 K394K386-E390 PolarHBondContact O-N 2.75Å; Q388-E390 VanDerWaalsContact C-N 3.27Å; Q388-E390 PolarHBondContact O-N 3.02Å; E390-K394 PolarHBondContact O-N 3.06Å
391K57.8Low54.2Low151 Ų151124.1 Ų124.166%0.65760%0.602SS**Hα-helixtrans-68.9-42.9174.3-78.9-176.6176.4179.60112K387 Q388 V389 V393 K394 Y395K387-K391 PolarHBondContact O-N 2.91Å; Q388-K391 PolarHBondContact O-N 3.47Å; Q388-K391 VanDerWaalsContact O-N 3.17Å; V389-K391 PolarHBondContact O-N 3.37Å; K391-V393 PolarHBondContact O-N 3.18Å; K391-K394 PolarHBondContact O-N 2.84Å; K391-Y395 PolarHBondContact O-N 3.2Å
392D53.5Low54.1Low108 Ų108121.6 Ų121.658%0.57860%0.595SS**Hα-helixtrans-67.6-37-177.4-67.5-16.3000111.9Q388 V389 K394 S396Q388-D392 PolarHBondContact O-N 3.35Å; V389-D392 PolarHBondContact O-N 2.91Å; D392-K394 VanDerWaalsContact C-N 3.32Å; D392-K394 PolarHBondContact O-N 3.32Å; D392-S396 PolarHBondContact O-N 2.94Å
393V54Low53.8Low80 Ų80124.7 Ų124.749%0.48560%0.598SS.*Hα-helixtrans-67.2-33.6177174.50000111.8V389 K391V389-V393 HydrophobicContact CG1-CG2 4.46Å; V389-V393 WeakPolarHBondContact O-CG2 3.37Å; V389-V393 PolarHBondContact O-N 3.1Å; K391-V393 PolarHBondContact O-N 3.18Å
394K53.2Low53.5Low146 Ų146121.6 Ų121.664%0.63559%0.589SS**Hα-helixtrans-70.2-44.1-179.5-137.3-179-176.4-172.80111.7E390 K391 D392 S396 R397 E398E390-K394 PolarHBondContact O-N 3.06Å; K391-K394 PolarHBondContact O-N 2.84Å; D392-K394 VanDerWaalsContact C-N 3.32Å; D392-K394 PolarHBondContact O-N 3.32Å; K394-S396 VanDerWaalsContact C-N 3.33Å; K394-S396 PolarHBondContact O-N 3.31Å; K394-R397 PolarHBondContact O-N 2.79Å; K394-E398 PolarHBondContact O-N 2.95Å
395Y49Very low53.3Low164 Ų164120 Ų12064%0.64358%0.584SS**Hα-helixtrans-60.9-39.9176.3-97.2-84.8000112.7K391 R397 E398 D399K391-Y395 PolarHBondContact O-N 3.2Å; Y395-R397 PolarHBondContact O-N 3.31Å; Y395-E398 PolarHBondContact O-N 3.35Å; Y395-D399 PolarHBondContact O-N 3.07Å
396S50.2Low53.2Low72 Ų72120.1 Ų120.150%0.50358%0.584SS.*Hα-helixtrans-66-23.3-179.8-165.20000113.6D392 K394 N400D392-S396 PolarHBondContact O-N 2.94Å; K394-S396 VanDerWaalsContact C-N 3.33Å; K394-S396 PolarHBondContact O-N 3.31Å; S396-N400 PolarHBondContact O-ND2 3.05Å
397R50.5Low52.4Low183 Ų183119.5 Ų119.569%0.69158%0.584SS**Hα-helixtrans-79.3-39.9175-75-173.6-176.4178.72.2112.5K394 Y395 N400 V401K394-R397 PolarHBondContact O-N 2.79Å; Y395-R397 PolarHBondContact O-N 3.31Å; R397-N400 PolarHBondContact O-N 2.87Å; R397-V401 VanDerWaalsContact O-CG2 3.31Å; R397-V401 WeakPolarHBondContact O-CG2 3.44Å; R397-V401 PolarHBondContact O-N 3.1Å; R397-V401 VanDerWaalsContact O-N 3.13Å
398E53.6Low51.6Low108 Ų108121.5 Ų121.551%0.50559%0.589SS.*Hα-helixtrans-66.2-42.6-176.9-71.9176.8-175.300111.8K394 Y395 N400 V401 I402K394-E398 PolarHBondContact O-N 2.95Å; Y395-E398 PolarHBondContact O-N 3.35Å; E398-N400 VanDerWaalsContact C-N 3.33Å; E398-N400 PolarHBondContact O-N 2.82Å; E398-V401 PolarHBondContact O-N 3.35Å; E398-I402 WeakPolarHBondContact O-CG1 3.29Å; E398-I402 PolarHBondContact O-N 3.5Å; E398-I402 VanDerWaalsContact O-N 3.13Å
399D52.2Low50.9Low108 Ų108122.7 Ų122.758%0.57861%0.61SS**Hα-helixtrans-64.1-37.3177.5-80.1-16.8000112.8Y395 K403Y395-D399 PolarHBondContact O-N 3.07Å; D399-K403 WeakPolarHBondContact O-CB 3.46Å; D399-K403 PolarHBondContact O-N 3.1Å; D399-K403 VanDerWaalsContact O-N 3.13Å
400N51.8Low50.8Low97 Ų97124.2 Ų124.252%0.51961%0.612SS.*Hα-helixtrans-70.4-34.3178.4-78.5-39.7000112S396 R397 E398 V404S396-N400 PolarHBondContact O-ND2 3.05Å; R397-N400 PolarHBondContact O-N 2.87Å; E398-N400 VanDerWaalsContact C-N 3.33Å; E398-N400 PolarHBondContact O-N 2.82Å; N400-V404 VanDerWaalsContact O-CG2 3.32Å; N400-V404 WeakPolarHBondContact O-CG2 3.46Å; N400-V404 PolarHBondContact O-N 3.08Å
401V52.4Low50.4Low89 Ų89122.9 Ų122.954%0.53961%0.608SS.*Hα-helixtrans-70-41.2177.4176.40000111R397 E398 K403 V404 I405R397-V401 VanDerWaalsContact O-CG2 3.31Å; R397-V401 WeakPolarHBondContact O-CG2 3.44Å; R397-V401 PolarHBondContact O-N 3.1Å; R397-V401 VanDerWaalsContact O-N 3.13Å; E398-V401 PolarHBondContact O-N 3.35Å; V401-K403 VanDerWaalsContact C-N 3.31Å; V401-K403 PolarHBondContact O-N 3.12Å; V401-V404 PolarHBondContact O-N 2.94Å; V401-I405 HydrophobicContact CG1-CD1 4.13Å; V401-I405 WeakPolarHBondContact O-CG1 3.32Å; V401-I405 PolarHBondContact O-N 3.27Å
402I49.5Very low50Low99 Ų99121.3 Ų121.351%0.50861%0.605SS.*Hα-helixtrans-63.9-39.5177.5-64.2168.6000110.8E398 V404 I405 N406E398-I402 WeakPolarHBondContact O-CG1 3.29Å; E398-I402 PolarHBondContact O-N 3.5Å; E398-I402 VanDerWaalsContact O-N 3.13Å; I402-V404 VanDerWaalsContact C-N 3.33Å; I402-V404 PolarHBondContact O-N 3.21Å; I402-I405 PolarHBondContact O-N 3.11Å; I402-N406 PolarHBondContact O-N 3.33Å
403K44.8Very low49.8Very low144 Ų144122.1 Ų122.163%0.62661%0.607SS**Hα-helixtrans-65.4-36.5179.9-151.5177.5-174.1-1760112.6D399 V401 E407D399-K403 WeakPolarHBondContact O-CB 3.46Å; D399-K403 PolarHBondContact O-N 3.1Å; D399-K403 VanDerWaalsContact O-N 3.13Å; V401-K403 VanDerWaalsContact C-N 3.31Å; V401-K403 PolarHBondContact O-N 3.12Å; K403-E407 PolarHBondContact O-N 3.14Å
404V49Very low49.6Very low78 Ų78124.8 Ų124.847%0.47361%0.614SS.*Hα-helixtrans-69-39.7176.6175.90000111.3N400 V401 I402 N406 E407 Y408N400-V404 VanDerWaalsContact O-CG2 3.32Å; N400-V404 WeakPolarHBondContact O-CG2 3.46Å; N400-V404 PolarHBondContact O-N 3.08Å; V401-V404 PolarHBondContact O-N 2.94Å; I402-V404 VanDerWaalsContact C-N 3.33Å; I402-V404 PolarHBondContact O-N 3.21Å; V404-N406 VanDerWaalsContact C-N 3.3Å; V404-N406 PolarHBondContact O-N 2.86Å; V404-E407 PolarHBondContact O-N 3.22Å; V404-Y408 HydrophobicContact CG1-CD2 4.02Å; V404-Y408 HydrophobicContact CG1-CE2 4.07Å; V404-Y408 WeakPolarHBondContact O-CD2 3.4Å; V404-Y408 PolarHBondContact O-N 2.8Å
405I50.2Low49.3Very low100 Ų100123.3 Ų123.351%0.51361%0.613SS.*Hα-helixtrans-63.5-38.2-180-64.8167.3000111.4V401 I402 E407 Y408 S409V401-I405 HydrophobicContact CG1-CD1 4.13Å; V401-I405 WeakPolarHBondContact O-CG1 3.32Å; V401-I405 PolarHBondContact O-N 3.27Å; I402-I405 PolarHBondContact O-N 3.11Å; I405-E407 VanDerWaalsContact C-N 3.31Å; I405-E407 PolarHBondContact O-N 3.25Å; I405-Y408 PolarHBondContact O-N 2.96Å; I405-S409 PolarHBondContact O-N 3.05Å; I405-S409 PolarHBondContact O-OG 3.33Å
406N50.1Low49.3Very low114 Ų114120.4 Ų120.461%0.6161%0.611SS**Hα-helixtrans-72.2-19.9178.6-74.4-11.1000114.2I402 V404I402-N406 PolarHBondContact O-N 3.33Å; V404-N406 VanDerWaalsContact C-N 3.3Å; V404-N406 PolarHBondContact O-N 2.86Å
407E46.9Very low49.3Very low151 Ų151124.2 Ų124.271%0.70662%0.619SS**Hα-helixtrans-82.6-14.9173.7-79.3-178.4173.300113K403 V404 I405K403-E407 PolarHBondContact O-N 3.14Å; V404-E407 PolarHBondContact O-N 3.22Å; I405-E407 VanDerWaalsContact C-N 3.31Å; I405-E407 PolarHBondContact O-N 3.25Å
408Y47.1Very low49.2Very low200 Ų200119.3 Ų119.378%0.78461%0.613SS**  trans-108.43.7178.6-76.9-80000114.4V404 I405V404-Y408 HydrophobicContact CG1-CD2 4.02Å; V404-Y408 HydrophobicContact CG1-CE2 4.07Å; V404-Y408 WeakPolarHBondContact O-CD2 3.4Å; V404-Y408 PolarHBondContact O-N 2.8Å; I405-Y408 PolarHBondContact O-N 2.96Å
409S42.6Very low48.8Very low143 Ų143120.3 Ų120.3100%162%0.623SS**  trans-97.10172.6-48.80000110I405I405-S409 PolarHBondContact O-N 3.05Å; I405-S409 PolarHBondContact O-OG 3.33Å

Retrieved 409 of 409 residues in 85.4 ms (Link to these results)