A0A087XKW3_POEFO Loading...

Hsp90 co-chaperone Cdc37

Co-chaperone that binds to numerous kinases and promotes their interaction with the Hsp90 complex, resulting in stabilization and promotion of their activity.

AlphaFold DB , UniProt , Accession A0A087XKW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 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
1M48Very low83.9Confident239 Ų239137.4 Ų137.4100%1.17767%0.674SS**  01170-70.1171.5-160.700106.7R3M1-R3 PolarHBondContact O-N 2.8Å
2S60Low84.9Confident128 Ų128132.8 Ų132.890%0.89565%0.653SS**  trans-61.6106.4168.1174.90000106.6
3R79.8Confident85.6Confident230 Ų230126.2 Ų126.287%0.86862%0.62SS**  trans-73.7134.2178-139.9175-173.8170.2-0.8106.1M1 D5M1-R3 PolarHBondContact O-N 2.8Å; R3-D5 PolarHBondContact O-N 2.9Å
4I88.1Confident86.3Confident133 Ų133122.1 Ų122.168%0.68261%0.606SS**  trans-57.8125.4173.1-60.7169.1000107.1Y6I4-Y6 HydrophobicContact CG2-CD1 4.25Å; I4-Y6 HydrophobicContact CG2-CD2 4.39Å; I4-Y6 HydrophobicContact CG2-CE1 3.66Å; I4-Y6 HydrophobicContact CG2-CE2 3.75Å
5D90.3Very high86.8Confident118 Ų118115.5 Ų115.563%0.63158%0.576SS**  trans-111119.7-173-173.31.9000110R3 S7R3-D5 PolarHBondContact O-N 2.9Å; D5-S7 VanDerWaalsContact CG-OG 3.27Å; D5-S7 WeakPolarHBondContact OD1-CB 3.34Å; D5-S7 PolarHBondContact OD1-N 3.07Å; D5-S7 PolarHBondContact OD1-OG 3.3Å; D5-S7 PolarHBondContact OD2-OG 3.41Å
6Y92.8Very high87.3Confident149 Ų149114.4 Ų114.458%0.58457%0.573SS**  trans-113.410.5177.4-61.6-46.9000112.1I4 V8 W9I4-Y6 HydrophobicContact CG2-CD1 4.25Å; I4-Y6 HydrophobicContact CG2-CD2 4.39Å; I4-Y6 HydrophobicContact CG2-CE1 3.66Å; I4-Y6 HydrophobicContact CG2-CE2 3.75Å; Y6-V8 PolarHBondContact O-N 3.07Å; Y6-W9 HydrophobicContact CD1-CE3 4.2Å; Y6-W9 AromaticContact CD1-CZ3 3.58Å; Y6-W9 HydrophobicContact CD1-CZ3 3.58Å; Y6-W9 HydrophobicContact CE1-CZ3 4.3Å; Y6-W9 HydrophobicContact CG-CE3 4.49Å; Y6-W9 HydrophobicContact CG-CZ3 4.29Å; Y6-W9 PolarHBondContact O-N 3.2Å
7S92.4Very high87.7Confident55 Ų55111.3 Ų111.339%0.38556%0.558SS.*G310 helixtrans-59.9-16.9-175.660.30000114.6D5 W9 D10D5-S7 VanDerWaalsContact CG-OG 3.27Å; D5-S7 WeakPolarHBondContact OD1-CB 3.34Å; D5-S7 PolarHBondContact OD1-N 3.07Å; D5-S7 PolarHBondContact OD1-OG 3.3Å; D5-S7 PolarHBondContact OD2-OG 3.41Å; S7-W9 PolarHBondContact O-N 3.03Å; S7-W9 VanDerWaalsContact O-N 3.14Å; S7-D10 VanDerWaalsContact CA-CG 3.49Å; S7-D10 VanDerWaalsContact CA-OD2 3.3Å; S7-D10 WeakPolarHBondContact CA-OD2 3.47Å; S7-D10 WeakPolarHBondContact CB-OD2 3.36Å; S7-D10 WeakPolarHBondContact O-CB 3.43Å; S7-D10 PolarHBondContact O-N 3.06Å; S7-D10 VanDerWaalsContact O-N 3.13Å
8V91.6Very high88.1Confident74 Ų74113.7 Ų113.745%0.44857%0.567SS.*G310 helixtrans-56.5-26.2171.271.70000112Y6 W118Y6-V8 PolarHBondContact O-N 3.07Å; V8-W118 HydrophobicContact CG2-CZ2 4.17Å; V8-W118 PolarHBondContact O-NE1 3.33Å
9W93.6Very high88.5Confident143 Ų143115.7 Ų115.754%0.54258%0.58SS.*G310 helixtrans-103.58.7179.8-62.2-63.6000114.4Y6 S7 H11 I12Y6-W9 HydrophobicContact CD1-CE3 4.2Å; Y6-W9 AromaticContact CD1-CZ3 3.58Å; Y6-W9 HydrophobicContact CD1-CZ3 3.58Å; Y6-W9 HydrophobicContact CE1-CZ3 4.3Å; Y6-W9 HydrophobicContact CG-CE3 4.49Å; Y6-W9 HydrophobicContact CG-CZ3 4.29Å; Y6-W9 PolarHBondContact O-N 3.2Å; S7-W9 PolarHBondContact O-N 3.03Å; S7-W9 VanDerWaalsContact O-N 3.14Å; W9-H11 PolarHBondContact O-N 3.49Å; W9-I12 HydrophobicContact CB-CD1 4.02Å; W9-I12 WeakPolarHBondContact O-CD1 3.34Å; W9-I12 WeakPolarHBondContact O-CG1 3.36Å
10D93.3Very high88.7Confident115 Ų115114.6 Ų114.662%0.61558%0.576SS**SBendtrans-67.5-19.4-178.1-73.1-10.6000113.4S7S7-D10 VanDerWaalsContact CA-CG 3.49Å; S7-D10 VanDerWaalsContact CA-OD2 3.3Å; S7-D10 WeakPolarHBondContact CA-OD2 3.47Å; S7-D10 WeakPolarHBondContact CB-OD2 3.36Å; S7-D10 WeakPolarHBondContact O-CB 3.43Å; S7-D10 PolarHBondContact O-N 3.06Å; S7-D10 VanDerWaalsContact O-N 3.13Å
11H93.5Very high89Confident127 Ų127112.1 Ų112.159%0.58857%0.567SS**  trans-124.572.6-172.4-56.977.7000110.4W9 P117 W118W9-H11 PolarHBondContact O-N 3.49Å; H11-P117 CarbonylContact O-C 3.6Å; H11-P117 WeakPolarHBondContact O-CA 3.3Å; H11-W118 PolarHBondContact O-N 3.4Å
12I95.1Very high91.2Very high83 Ų83105.6 Ų105.643%0.42653%0.534SS..BIsolated β-bridgetrans-105.7128.7174.8-60.4168.5000108.9W9 V14 W118 L123W9-I12 HydrophobicContact CB-CD1 4.02Å; W9-I12 WeakPolarHBondContact O-CD1 3.34Å; W9-I12 WeakPolarHBondContact O-CG1 3.36Å; I12-V14 HydrophobicContact CG2-CG2 3.99Å; I12-W118 CarbonylContact C-O 3.57Å; I12-W118 WeakPolarHBondContact CA-O 3.25Å; I12-W118 HydrophobicContact CB-CB 4.47Å; I12-W118 HydrophobicContact CG1-CB 3.94Å; I12-L123 HydrophobicContact CG2-CD1 4.43Å
13E94.4Very high92.8Very high47 Ų47105.6 Ų105.622%0.2253%0.53CS..  trans-105.5117.6173.5178.1176-157.700109.8R41 P117 W118E13-R41 IonicContact OE1-CZ 2.73Å; E13-R41 IonicContact OE1-NH2 3.96Å; E13-R41 PolarHBondContact OE1-NH2 3.22Å; E13-R41 IonicContact OE2-NH2 2.7Å; E13-R41 PolarHBondContact OE2-NH2 3.23Å; E13-P117 HydrophobicContact CB-CB 3.6Å; E13-P117 HydrophobicContact CB-CG 4.41Å; E13-W118 PolarHBondContact N-O 2.67Å
14V95.9Very high93.6Very high69 Ų69101.1 Ų101.142%0.41852%0.524SS..  trans-113114.2174.3-176.80000107.9I12 D16 D17I12-V14 HydrophobicContact CG2-CG2 3.99Å; V14-D16 VanDerWaalsContact CG1-OD1 3.23Å; V14-D16 WeakPolarHBondContact CG1-OD1 3.33Å; V14-D16 PolarHBondContact O-N 3.21Å; V14-D17 HydrophobicContact CB-CB 4.16Å; V14-D17 HydrophobicContact CG1-CB 4.39Å; V14-D17 WeakPolarHBondContact O-CB 3.38Å; V14-D17 PolarHBondContact O-N 3.2Å
15S92.9Very high93.8Very high22 Ų2298.9 Ų98.915%0.15451%0.512CS..THydrogen-bonded Turntrans-67.1-26.3-174.747.20000113.5F31 R34S15-F31 WeakPolarHBondContact O-CA 3.31Å; S15-F31 WeakPolarHBondContact O-CD1 3.45Å; S15-R34 WeakPolarHBondContact O-CD 3.1Å
16D94.8Very high94.1Very high99 Ų9997.9 Ų97.953%0.52951%0.507SS..THydrogen-bonded Turntrans-107.729.5179.958.5-33.3000112.7V14 E18 F31V14-D16 VanDerWaalsContact CG1-OD1 3.23Å; V14-D16 WeakPolarHBondContact CG1-OD1 3.33Å; V14-D16 PolarHBondContact O-N 3.21Å; D16-E18 PolarHBondContact O-N 3.02Å; D16-F31 HydrophobicContact CB-CB 4.33Å; D16-F31 HydrophobicContact CB-CD2 4.14Å; D16-F31 HydrophobicContact CB-CG 4.12Å
17D95.3Very high94.1Very high61 Ų6193.1 Ų93.133%0.32649%0.493SS..  trans-62.1107.8173.8-167.7-19.6000111.1V14 D19 D20 F31V14-D17 HydrophobicContact CB-CB 4.16Å; V14-D17 HydrophobicContact CG1-CB 4.39Å; V14-D17 WeakPolarHBondContact O-CB 3.38Å; V14-D17 PolarHBondContact O-N 3.2Å; D17-D19 VanDerWaalsContact C-N 3.3Å; D17-D19 WeakPolarHBondContact OD1-CB 3.33Å; D17-D19 PolarHBondContact OD1-N 3.3Å; D17-D20 HydrophobicContact CB-CB 4.43Å; D17-D20 PolarHBondContact O-N 2.85Å; D17-F31 VanDerWaalsContact O-CE1 3.26Å; D17-F31 WeakPolarHBondContact O-CE1 3.39Å
18E94.6Very high94.2Very high154 Ų15493.9 Ų93.972%0.7250%0.497SS*.SBendtrans-76.1-14.7-178.762.4-172.1-17100114.2D16 T21 F31D16-E18 PolarHBondContact O-N 3.02Å; E18-T21 WeakPolarHBondContact O-CG2 3.5Å; E18-F31 HydrophobicContact CB-CZ 4.46Å
19D94.9Very high94.3Very high152 Ų15292.7 Ų92.781%0.81349%0.492SS*.SBendtrans-83.2-27.2174.7-69.9-34.2000111.7D17 T21D17-D19 VanDerWaalsContact C-N 3.3Å; D17-D19 WeakPolarHBondContact OD1-CB 3.33Å; D17-D19 PolarHBondContact OD1-N 3.3Å; D19-T21 PolarHBondContact O-N 3.07Å
20D92.8Very high94.4Very high93 Ų9387.2 Ų87.250%0.49747%0.473SS..SBendtrans-92.468.9175.3-174.522.8000112D17 R34D17-D20 HydrophobicContact CB-CB 4.43Å; D17-D20 PolarHBondContact O-N 2.85Å; D20-R34 VanDerWaalsContact O-CZ 3.31Å; D20-R34 PolarHBondContact O-NH1 3.46Å; D20-R34 PolarHBondContact O-NH2 3.5Å; D20-R34 IonicContact OD1-NH2 3.43Å; D20-R34 IonicContact OD2-CZ 3.04Å; D20-R34 IonicContact OD2-NH1 3.91Å; D20-R34 IonicContact OD2-NH2 3.89Å; D20-R34 PolarHBondContact OD2-NH2 2.95Å
21T94.4Very high94.5Very high64 Ų6483.8 Ų83.839%0.39345%0.453SS..  trans-123.3166.2-179.463.20000112.1E18 D19 T27 F31E18-T21 WeakPolarHBondContact O-CG2 3.5Å; D19-T21 PolarHBondContact O-N 3.07Å; T21-T27 HydrophobicContact CG2-CG2 3.47Å; T21-T27 VanDerWaalsContact CG2-CG2 3.47Å; T21-F31 HydrophobicContact CG2-CE1 4.39Å; T21-F31 HydrophobicContact CG2-CZ 4.22Å
22H94.1Very high94.6Very high102 Ų10286 Ų8647%0.47246%0.456SS..  trans-133.8133.5177.5-172.4-90.5000109.8N24 I25H22-N24 PolarHBondContact CE1-OD1 3.16Å; H22-N24 PolarHBondContact ND1-N 2.81Å; H22-N24 PolarHBondContact O-N 3.36Å; H22-I25 HydrophobicContact CB-CB 4.21Å; H22-I25 HydrophobicContact CB-CG1 3.91Å; H22-I25 PolarHBondContact O-N 3.38Å
23P94.8Very high94.6Very high127 Ų12790.1 Ų90.183%0.82547%0.466SS*.THydrogen-bonded Turntrans-55.7-22.1-175.7-28.535.3000115.5
24N95.6Very high94.6Very high137 Ų13789.9 Ų89.973%0.73346%0.464SS*.THydrogen-bonded Turntrans-100.52.6179.6-55.2105.8000114.5H22H22-N24 PolarHBondContact CE1-OD1 3.16Å; H22-N24 PolarHBondContact ND1-N 2.81Å; H22-N24 PolarHBondContact O-N 3.36Å
25I94Very high94.5Very high86 Ų8690.8 Ų90.844%0.44146%0.463SS..SBendtrans-114.8131.5-179.8-57.7-63.4000109H22 T27 L30H22-I25 HydrophobicContact CB-CB 4.21Å; H22-I25 HydrophobicContact CB-CG1 3.91Å; H22-I25 PolarHBondContact O-N 3.38Å; I25-T27 PolarHBondContact O-N 3.5Å; I25-L30 HydrophobicContact CG2-CB 3.98Å; I25-L30 HydrophobicContact CG2-CD1 4.31Å; I25-L30 HydrophobicContact CG2-CD2 3.94Å; I25-L30 HydrophobicContact CG2-CG 4.3Å
26D95.4Very high94.6Very high96 Ų9694.3 Ų94.351%0.51348%0.477SS..  trans-70.4111.8175.6175.258.2000110.5P28 S29 L30D26-P28 VanDerWaalsContact OD1-CD 3.24Å; D26-P28 WeakPolarHBondContact OD1-CD 3.43Å; D26-S29 WeakPolarHBondContact CB-OG 3.48Å; D26-S29 PolarHBondContact O-N 3.36Å; D26-S29 PolarHBondContact O-OG 2.85Å; D26-S29 VanDerWaalsContact OD2-CB 3.28Å; D26-S29 WeakPolarHBondContact OD2-CB 3.3Å; D26-S29 PolarHBondContact OD2-N 3.41Å; D26-S29 PolarHBondContact OD2-OG 2.9Å; D26-L30 WeakPolarHBondContact O-CB 3.33Å; D26-L30 PolarHBondContact O-N 3.14Å
27T93.1Very high94.6Very high49 Ų4990.4 Ų90.430%0.30146%0.458SS..Hα-helixtrans-65.1-39.6-17256.60000114T21 I25 S29 L30 F31T21-T27 HydrophobicContact CG2-CG2 3.47Å; T21-T27 VanDerWaalsContact CG2-CG2 3.47Å; I25-T27 PolarHBondContact O-N 3.5Å; T27-S29 VanDerWaalsContact C-N 3.35Å; T27-S29 PolarHBondContact O-N 2.85Å; T27-L30 PolarHBondContact O-N 3.43Å; T27-F31 WeakPolarHBondContact O-CD2 3.48Å; T27-F31 VanDerWaalsContact O-CG 3.22Å; T27-F31 WeakPolarHBondContact O-CG 3.48Å; T27-F31 PolarHBondContact O-N 3.23Å
28P93.8Very high94.6Very high71 Ų7187.9 Ų87.946%0.46144%0.444SS..Hα-helixtrans-67.9-30.2179-20.835.8000113.9D26 R32D26-P28 VanDerWaalsContact OD1-CD 3.24Å; D26-P28 WeakPolarHBondContact OD1-CD 3.43Å; P28-R32 WeakPolarHBondContact O-CG 3.22Å; P28-R32 PolarHBondContact O-NE 3.3Å
29S94.3Very high94.6Very high49 Ų4982.9 Ų82.934%0.34342%0.424SS..Hα-helixtrans-77.4-38.2171.454.80000111.7D26 T27 R32 W33D26-S29 WeakPolarHBondContact CB-OG 3.48Å; D26-S29 PolarHBondContact O-N 3.36Å; D26-S29 PolarHBondContact O-OG 2.85Å; D26-S29 VanDerWaalsContact OD2-CB 3.28Å; D26-S29 WeakPolarHBondContact OD2-CB 3.3Å; D26-S29 PolarHBondContact OD2-N 3.41Å; D26-S29 PolarHBondContact OD2-OG 2.9Å; T27-S29 VanDerWaalsContact C-N 3.35Å; T27-S29 PolarHBondContact O-N 2.85Å; S29-R32 PolarHBondContact O-N 3.45Å; S29-W33 WeakPolarHBondContact O-CB 3.2Å; S29-W33 PolarHBondContact O-N 3.49Å
30L94.5Very high94.6Very high29 Ų2980 Ų8015%0.15241%0.406CS..Hα-helixtrans-59.1-46.5174.6-18063.7000112.6I25 D26 T27 R32 W33 R34I25-L30 HydrophobicContact CG2-CB 3.98Å; I25-L30 HydrophobicContact CG2-CD1 4.31Å; I25-L30 HydrophobicContact CG2-CD2 3.94Å; I25-L30 HydrophobicContact CG2-CG 4.3Å; D26-L30 WeakPolarHBondContact O-CB 3.33Å; D26-L30 PolarHBondContact O-N 3.14Å; T27-L30 PolarHBondContact O-N 3.43Å; L30-R32 PolarHBondContact O-N 3.47Å; L30-W33 HydrophobicContact CD1-CE3 4.26Å; L30-W33 WeakPolarHBondContact O-CB 3.31Å; L30-W33 PolarHBondContact O-N 3.44Å; L30-R34 HydrophobicContact CD1-CG 4.35Å; L30-R34 HydrophobicContact CG-CG 4.49Å; L30-R34 WeakPolarHBondContact O-CG 3.48Å; L30-R34 PolarHBondContact O-N 3.26Å
31F96.1Very high94.6Very high43 Ų4381.9 Ų81.919%0.18941%0.406CS..Hα-helixtrans-64.2-40.9-179.9-61.6-26000112.5S15 D16 D17 E18 T21 T27 W33 R34 H35S15-F31 WeakPolarHBondContact O-CA 3.31Å; S15-F31 WeakPolarHBondContact O-CD1 3.45Å; D16-F31 HydrophobicContact CB-CB 4.33Å; D16-F31 HydrophobicContact CB-CD2 4.14Å; D16-F31 HydrophobicContact CB-CG 4.12Å; D17-F31 VanDerWaalsContact O-CE1 3.26Å; D17-F31 WeakPolarHBondContact O-CE1 3.39Å; E18-F31 HydrophobicContact CB-CZ 4.46Å; T21-F31 HydrophobicContact CG2-CE1 4.39Å; T21-F31 HydrophobicContact CG2-CZ 4.22Å; T27-F31 WeakPolarHBondContact O-CD2 3.48Å; T27-F31 VanDerWaalsContact O-CG 3.22Å; T27-F31 WeakPolarHBondContact O-CG 3.48Å; T27-F31 PolarHBondContact O-N 3.23Å; F31-W33 VanDerWaalsContact C-N 3.32Å; F31-W33 PolarHBondContact O-N 2.98Å; F31-R34 PolarHBondContact O-N 3.06Å; F31-H35 WeakPolarHBondContact O-CB 3.45Å; F31-H35 PolarHBondContact O-N 3Å
32R94.8Very high94.5Very high173 Ų17380.4 Ų80.465%0.65340%0.395SS*.Hα-helixtrans-63.1-40.6173.5-74.1-176.5-72.5162-3.6111.6P28 S29 L30 H35 Q36P28-R32 WeakPolarHBondContact O-CG 3.22Å; P28-R32 PolarHBondContact O-NE 3.3Å; S29-R32 PolarHBondContact O-N 3.45Å; L30-R32 PolarHBondContact O-N 3.47Å; R32-H35 PolarHBondContact O-N 3.36Å; R32-Q36 WeakPolarHBondContact O-CB 3.5Å; R32-Q36 PolarHBondContact O-N 3.39Å
33W96.1Very high94.5Very high170 Ų17081.9 Ų81.964%0.64440%0.402SS*.Hα-helixtrans-65.8-45.3176.2179.883.7000112.2S29 L30 F31 H35 Q36 A37S29-W33 WeakPolarHBondContact O-CB 3.2Å; S29-W33 PolarHBondContact O-N 3.49Å; L30-W33 HydrophobicContact CD1-CE3 4.26Å; L30-W33 WeakPolarHBondContact O-CB 3.31Å; L30-W33 PolarHBondContact O-N 3.44Å; F31-W33 VanDerWaalsContact C-N 3.32Å; F31-W33 PolarHBondContact O-N 2.98Å; W33-H35 VanDerWaalsContact C-N 3.33Å; W33-H35 PolarHBondContact O-N 2.91Å; W33-Q36 PolarHBondContact O-N 3.19Å; W33-A37 WeakPolarHBondContact O-CB 3.38Å; W33-A37 PolarHBondContact O-N 3.08Å
34R95.1Very high94.4Very high42 Ų4281.1 Ų81.116%0.15839%0.387CS..Hα-helixtrans-58.7-44174.1-75.2179.4174.5161.4-0.1111.2S15 D20 L30 F31 A37 R38S15-R34 WeakPolarHBondContact O-CD 3.1Å; D20-R34 VanDerWaalsContact O-CZ 3.31Å; D20-R34 PolarHBondContact O-NH1 3.46Å; D20-R34 PolarHBondContact O-NH2 3.5Å; D20-R34 IonicContact OD1-NH2 3.43Å; D20-R34 IonicContact OD2-CZ 3.04Å; D20-R34 IonicContact OD2-NH1 3.91Å; D20-R34 IonicContact OD2-NH2 3.89Å; D20-R34 PolarHBondContact OD2-NH2 2.95Å; L30-R34 HydrophobicContact CD1-CG 4.35Å; L30-R34 HydrophobicContact CG-CG 4.49Å; L30-R34 WeakPolarHBondContact O-CG 3.48Å; L30-R34 PolarHBondContact O-N 3.26Å; F31-R34 PolarHBondContact O-N 3.06Å; R34-A37 PolarHBondContact O-N 3.25Å; R34-R38 WeakPolarHBondContact O-CB 3.34Å; R34-R38 PolarHBondContact O-N 3.46Å
35H94.1Very high94.2Very high87 Ų8776 Ų7640%0.40336%0.359SS..Hα-helixtrans-59.4-49.1174.5177.285.2000111.8F31 R32 W33 R38 V39F31-H35 WeakPolarHBondContact O-CB 3.45Å; F31-H35 PolarHBondContact O-N 3Å; R32-H35 PolarHBondContact O-N 3.36Å; W33-H35 VanDerWaalsContact C-N 3.33Å; W33-H35 PolarHBondContact O-N 2.91Å; H35-R38 WeakPolarHBondContact O-CB 3.44Å; H35-R38 PolarHBondContact O-N 2.87Å; H35-V39 WeakPolarHBondContact O-CG2 3.35Å; H35-V39 PolarHBondContact O-N 3.32Å
36Q94.8Very high94.1Very high96 Ų9677.7 Ų77.745%0.44937%0.365SS..Hα-helixtrans-60-48.8178.9-176.162.33100111.4R32 W33 R38 V39 E40R32-Q36 WeakPolarHBondContact O-CB 3.5Å; R32-Q36 PolarHBondContact O-N 3.39Å; W33-Q36 PolarHBondContact O-N 3.19Å; Q36-R38 VanDerWaalsContact C-N 3.26Å; Q36-R38 PolarHBondContact O-N 3.18Å; Q36-V39 PolarHBondContact O-N 2.95Å; Q36-V39 VanDerWaalsContact O-N 3.17Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.37Å; Q36-E40 PolarHBondContact NE2-OE1 2.87Å; Q36-E40 WeakPolarHBondContact O-CG 3.33Å; Q36-E40 PolarHBondContact O-N 3.4Å
37A95.1Very high94Very high17 Ų1775.8 Ų75.814%0.1436%0.359CS..Hα-helixtrans-59.5-37.5177.500000111.9W33 R34 R41W33-A37 WeakPolarHBondContact O-CB 3.38Å; W33-A37 PolarHBondContact O-N 3.08Å; R34-A37 PolarHBondContact O-N 3.25Å; A37-R41 WeakPolarHBondContact O-CB 3.49Å; A37-R41 VanDerWaalsContact O-CG 3.27Å; A37-R41 WeakPolarHBondContact O-CG 3.44Å; A37-R41 PolarHBondContact O-N 3.22Å
38R93.9Very high94Very high9 Ų978.7 Ų78.73%0.03437%0.367CS..Hα-helixtrans-65.6-46.5175.6-172.8-168.870.890.41.2111.7R34 H35 Q36 R41 M42 N119 D121R34-R38 WeakPolarHBondContact O-CB 3.34Å; R34-R38 PolarHBondContact O-N 3.46Å; H35-R38 WeakPolarHBondContact O-CB 3.44Å; H35-R38 PolarHBondContact O-N 2.87Å; Q36-R38 VanDerWaalsContact C-N 3.26Å; Q36-R38 PolarHBondContact O-N 3.18Å; R38-R41 PolarHBondContact O-N 2.96Å; R38-M42 HydrophobicContact CG-CE 4.41Å; R38-M42 PolarHBondContact NH1-SD 3.24Å; R38-M42 VanDerWaalsContact NH1-SD 3.45Å; R38-M42 WeakPolarHBondContact O-CG 3.33Å; R38-M42 PolarHBondContact O-N 2.86Å; R38-N119 PolarHBondContact NH1-ND2 2.95Å; R38-N119 PolarHBondContact NH1-OD1 3.15Å; R38-N119 VanDerWaalsContact NH1-OD1 3.15Å; R38-D121 IonicContact CZ-OD2 2.71Å; R38-D121 IonicContact NH1-OD2 3.55Å; R38-D121 PolarHBondContact NH1-OD2 2.69Å; R38-D121 IonicContact NH2-OD2 3.86Å; R38-D121 PolarHBondContact NH2-OD2 3.45Å
39V94.2Very high93.9Very high49 Ų4975.8 Ų75.830%0.29735%0.35SS..Hα-helixtrans-60.7-46.7177.81730000110.6H35 Q36 R41 M42 E43H35-V39 WeakPolarHBondContact O-CG2 3.35Å; H35-V39 PolarHBondContact O-N 3.32Å; Q36-V39 PolarHBondContact O-N 2.95Å; Q36-V39 VanDerWaalsContact O-N 3.17Å; V39-R41 PolarHBondContact O-N 3.18Å; V39-M42 HydrophobicContact CG2-CE 4.46Å; V39-M42 PolarHBondContact O-N 2.7Å; V39-E43 WeakPolarHBondContact O-CB 3.31Å; V39-E43 PolarHBondContact O-N 3.24Å
40E95.3Very high93.9Very high91 Ų9178.5 Ų78.543%0.42536%0.357SS..Hα-helixtrans-60-46.9176.9-72.5172.2-173.400111.9Q36 M42 E43 E44Q36-E40 WeakPolarHBondContact CG-OE1 3.37Å; Q36-E40 PolarHBondContact NE2-OE1 2.87Å; Q36-E40 WeakPolarHBondContact O-CG 3.33Å; Q36-E40 PolarHBondContact O-N 3.4Å; E40-M42 VanDerWaalsContact C-N 3.32Å; E40-M42 PolarHBondContact O-N 3.13Å; E40-E43 PolarHBondContact O-N 2.84Å; E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 3.21Å
41R93.6Very high93.8Very high132 Ų13282.7 Ų82.750%0.49838%0.376SS..Hα-helixtrans-59.9-40.7176.4-75.4-171.1-49.2-136.54112.4E13 A37 R38 V39 F45E13-R41 IonicContact OE1-CZ 2.73Å; E13-R41 IonicContact OE1-NH2 3.96Å; E13-R41 PolarHBondContact OE1-NH2 3.22Å; E13-R41 IonicContact OE2-NH2 2.7Å; E13-R41 PolarHBondContact OE2-NH2 3.23Å; A37-R41 WeakPolarHBondContact O-CB 3.49Å; A37-R41 VanDerWaalsContact O-CG 3.27Å; A37-R41 WeakPolarHBondContact O-CG 3.44Å; A37-R41 PolarHBondContact O-N 3.22Å; R38-R41 PolarHBondContact O-N 2.96Å; V39-R41 PolarHBondContact O-N 3.18Å; R41-F45 VanDerWaalsContact O-CB 3.26Å; R41-F45 WeakPolarHBondContact O-CB 3.26Å; R41-F45 PolarHBondContact O-N 2.91Å
42M91.4Very high93.7Very high33 Ų3382 Ų8216%0.16337%0.374CS..Hα-helixtrans-68.6-41.2177.7-71.8-171.3-54.200111.9R38 V39 E40 F45 Q46R38-M42 HydrophobicContact CG-CE 4.41Å; R38-M42 PolarHBondContact NH1-SD 3.24Å; R38-M42 VanDerWaalsContact NH1-SD 3.45Å; R38-M42 WeakPolarHBondContact O-CG 3.33Å; R38-M42 PolarHBondContact O-N 2.86Å; V39-M42 HydrophobicContact CG2-CE 4.46Å; V39-M42 PolarHBondContact O-N 2.7Å; E40-M42 VanDerWaalsContact C-N 3.32Å; E40-M42 PolarHBondContact O-N 3.13Å; M42-F45 PolarHBondContact O-N 3Å; M42-Q46 WeakPolarHBondContact O-CB 3.33Å; M42-Q46 VanDerWaalsContact O-CG 3.25Å; M42-Q46 WeakPolarHBondContact O-CG 3.5Å; M42-Q46 PolarHBondContact O-N 3.19Å
43E93.9Very high93.5Very high134 Ų13477.5 Ų77.563%0.62636%0.363SS*.Hα-helixtrans-63.6-46.8177.8-175174.7-17100111.3V39 E40 F45 Q46 S47V39-E43 WeakPolarHBondContact O-CB 3.31Å; V39-E43 PolarHBondContact O-N 3.24Å; E40-E43 PolarHBondContact O-N 2.84Å; E43-F45 VanDerWaalsContact C-N 3.32Å; E43-F45 PolarHBondContact O-N 3.32Å; E43-Q46 PolarHBondContact O-N 3.03Å; E43-S47 WeakPolarHBondContact O-CB 3.36Å; E43-S47 PolarHBondContact O-N 2.66Å
44E93.8Very high93.4Very high110 Ų11074.8 Ų74.851%0.51436%0.356SS..Hα-helixtrans-59.8-42.5174.1-74.8-172.1-169.200112.2E40 S47 K48E40-E44 WeakPolarHBondContact O-CG 3.48Å; E40-E44 PolarHBondContact O-N 3.21Å; E44-S47 PolarHBondContact O-N 3.07Å; E44-K48 WeakPolarHBondContact O-CB 3.46Å; E44-K48 VanDerWaalsContact O-CG 3.27Å; E44-K48 WeakPolarHBondContact O-CG 3.48Å; E44-K48 PolarHBondContact O-N 2.7Å; E44-K48 IonicContact OE2-NZ 3.87Å
45F91.7Very high93.3Very high30 Ų3074.3 Ų74.313%0.13236%0.359CS..Hα-helixtrans-65.3-41.4180-175.9-98.6000112.1R41 M42 E43 G49 H109 E112 E113 M116R41-F45 VanDerWaalsContact O-CB 3.26Å; R41-F45 WeakPolarHBondContact O-CB 3.26Å; R41-F45 PolarHBondContact O-N 2.91Å; M42-F45 PolarHBondContact O-N 3Å; E43-F45 VanDerWaalsContact C-N 3.32Å; E43-F45 PolarHBondContact O-N 3.32Å; F45-G49 PolarHBondContact O-N 2.92Å; F45-G49 VanDerWaalsContact O-N 3.13Å; F45-H109 AromaticContact CD1-NE2 3.78Å; F45-H109 AromaticContact CD2-NE2 3.89Å; F45-H109 AromaticContact CE1-CE1 3.44Å; F45-H109 VanDerWaalsContact CE1-CE1 3.44Å; F45-H109 WeakPolarHBondContact CE1-CE1 3.48Å; F45-H109 AromaticContact CE1-NE2 3.42Å; F45-H109 WeakPolarHBondContact CE1-NE2 3.39Å; F45-H109 AromaticContact CE2-CD2 3.64Å; F45-H109 AromaticContact CE2-NE2 3.52Å; F45-H109 AromaticContact CZ-CD2 3.68Å; F45-H109 AromaticContact CZ-CE1 3.46Å; F45-H109 VanDerWaalsContact CZ-CE1 3.46Å; F45-H109 WeakPolarHBondContact CZ-CE1 3.49Å; F45-H109 AromaticContact CZ-ND1 3.98Å; F45-H109 AromaticContact CZ-NE2 3.28Å; F45-H109 VanDerWaalsContact CZ-NE2 3.28Å; F45-H109 WeakPolarHBondContact CZ-NE2 3.41Å; F45-H109 WeakPolarHBondContact CZ-O 3.46Å; F45-H109 PolarHBondContact O-NE2 3.47Å; F45-E112 HydrophobicContact CE2-CB 3.73Å; F45-E112 HydrophobicContact CZ-CB 4.21Å; F45-E113 HydrophobicContact CE1-CB 4.1Å; F45-E113 HydrophobicContact CE1-CG 4.42Å; F45-E113 HydrophobicContact CZ-CB 3.88Å; F45-M116 HydrophobicContact CD1-CE 3.75Å; F45-M116 HydrophobicContact CD1-SD 3.68Å; F45-M116 HydrophobicContact CD2-SD 4.45Å; F45-M116 HydrophobicContact CE1-CE 3.5Å; F45-M116 HydrophobicContact CE1-SD 3.83Å; F45-M116 HydrophobicContact CG-SD 4.01Å; F45-M116 HydrophobicContact CZ-CE 4.23Å; F45-M116 HydrophobicContact CZ-SD 4.29Å
46Q91.1Very high93.2Very high122 Ų12270.6 Ų70.657%0.5734%0.342SS*.Hα-helixtrans-65.3-47.5175-72.917426.600111.1M42 E43 K48 G49 E50M42-Q46 WeakPolarHBondContact O-CB 3.33Å; M42-Q46 VanDerWaalsContact O-CG 3.25Å; M42-Q46 WeakPolarHBondContact O-CG 3.5Å; M42-Q46 PolarHBondContact O-N 3.19Å; E43-Q46 PolarHBondContact O-N 3.03Å; Q46-K48 PolarHBondContact O-N 3.3Å; Q46-G49 PolarHBondContact O-N 3.47Å; Q46-G49 VanDerWaalsContact O-N 3.12Å; Q46-E50 PolarHBondContact O-N 3.14Å
47S93.3Very high93.1Very high55 Ų5571.4 Ų71.439%0.38535%0.347SS..Hα-helixtrans-58.1-46.6178.7-173.80000112.3E43 E44 G49 E50 E51E43-S47 WeakPolarHBondContact O-CB 3.36Å; E43-S47 PolarHBondContact O-N 2.66Å; E44-S47 PolarHBondContact O-N 3.07Å; S47-G49 VanDerWaalsContact C-N 3.33Å; S47-G49 PolarHBondContact O-N 2.97Å; S47-E50 PolarHBondContact O-N 3.13Å; S47-E51 WeakPolarHBondContact O-CG 3.48Å; S47-E51 PolarHBondContact O-N 3.5Å
48K93.1Very high93Very high111 Ų11175.4 Ų75.448%0.48336%0.363SS..Hα-helixtrans-58.5-43.2174.3-73.6168.5-172.8161.10112.1E44 Q46 E51 I52E44-K48 WeakPolarHBondContact O-CB 3.46Å; E44-K48 VanDerWaalsContact O-CG 3.27Å; E44-K48 WeakPolarHBondContact O-CG 3.48Å; E44-K48 PolarHBondContact O-N 2.7Å; E44-K48 IonicContact OE2-NZ 3.87Å; Q46-K48 PolarHBondContact O-N 3.3Å; K48-E51 PolarHBondContact O-N 3.3Å; K48-I52 WeakPolarHBondContact O-CD1 3.46Å; K48-I52 VanDerWaalsContact O-CG1 3.24Å; K48-I52 WeakPolarHBondContact O-CG1 3.28Å; K48-I52 PolarHBondContact O-N 3.41Å
49G92Very high92.9Very high9 Ų975.4 Ų75.49%0.09336%0.364CS..Hα-helixtrans-61.6-42.7176.800000112.5F45 Q46 S47 N53 H109F45-G49 PolarHBondContact O-N 2.92Å; F45-G49 VanDerWaalsContact O-N 3.13Å; Q46-G49 PolarHBondContact O-N 3.47Å; Q46-G49 VanDerWaalsContact O-N 3.12Å; S47-G49 VanDerWaalsContact C-N 3.33Å; S47-G49 PolarHBondContact O-N 2.97Å; G49-N53 WeakPolarHBondContact O-CB 3.48Å; G49-N53 PolarHBondContact O-N 2.98Å; G49-H109 WeakPolarHBondContact CA-NE2 3.4Å
50E93.3Very high92.7Very high106 Ų10678.7 Ų78.750%0.49537%0.371SS..Hα-helixtrans-64.2-43.9175.7-71.7-170.2-173.100112.9Q46 S47 N53 K54Q46-E50 PolarHBondContact O-N 3.14Å; S47-E50 PolarHBondContact O-N 3.13Å; E50-N53 PolarHBondContact O-N 2.97Å; E50-K54 WeakPolarHBondContact O-CB 3.45Å; E50-K54 VanDerWaalsContact O-CG 3.25Å; E50-K54 WeakPolarHBondContact O-CG 3.35Å; E50-K54 PolarHBondContact O-N 2.82Å; E50-K54 IonicContact OE2-NZ 2.76Å; E50-K54 PolarHBondContact OE2-NZ 3.06Å; E50-K54 VanDerWaalsContact OE2-NZ 3.08Å
51E94.2Very high92.6Very high118 Ų11880.5 Ų80.555%0.55137%0.374SS*.Hα-helixtrans-62.9-43178.2-73.5-177.5175.100112.2S47 K48 N53 K54 S55S47-E51 WeakPolarHBondContact O-CG 3.48Å; S47-E51 PolarHBondContact O-N 3.5Å; K48-E51 PolarHBondContact O-N 3.3Å; E51-N53 VanDerWaalsContact C-N 3.35Å; E51-K54 PolarHBondContact O-N 3.32Å; E51-S55 WeakPolarHBondContact O-CB 3.42Å; E51-S55 PolarHBondContact O-N 3.04Å; E51-S55 PolarHBondContact O-OG 2.86Å
52I92.5Very high92.6Very high27 Ų2778.4 Ų78.414%0.13837%0.369CS..Hα-helixtrans-61.3-46174.7-68.6165.9000109.8K48 S55 L56 W102 K105 M106 H109K48-I52 WeakPolarHBondContact O-CD1 3.46Å; K48-I52 VanDerWaalsContact O-CG1 3.24Å; K48-I52 WeakPolarHBondContact O-CG1 3.28Å; K48-I52 PolarHBondContact O-N 3.41Å; I52-S55 PolarHBondContact O-N 3.15Å; I52-L56 VanDerWaalsContact O-CB 3.25Å; I52-L56 WeakPolarHBondContact O-CB 3.27Å; I52-L56 PolarHBondContact O-N 3.45Å; I52-W102 HydrophobicContact CG1-CZ3 4.33Å; I52-W102 HydrophobicContact CG2-CE3 4.33Å; I52-K105 HydrophobicContact CD1-CB 4.41Å; I52-K105 HydrophobicContact CG2-CB 4.27Å; I52-M106 HydrophobicContact CG2-CB 3.99Å; I52-M106 HydrophobicContact CG2-SD 3.83Å; I52-H109 HydrophobicContact CD1-CB 4.33Å
53N91.8Very high92.6Very high79 Ų7977.4 Ų77.442%0.42236%0.364SS..Hα-helixtrans-65.5-43.1180-172.946.4000112.3G49 E50 E51 L56 M57G49-N53 WeakPolarHBondContact O-CB 3.48Å; G49-N53 PolarHBondContact O-N 2.98Å; E50-N53 PolarHBondContact O-N 2.97Å; E51-N53 VanDerWaalsContact C-N 3.35Å; N53-L56 PolarHBondContact O-N 3.37Å; N53-M57 WeakPolarHBondContact O-CB 3.24Å; N53-M57 VanDerWaalsContact O-CG 3.26Å; N53-M57 WeakPolarHBondContact O-CG 3.35Å; N53-M57 PolarHBondContact O-N 3.41Å
54K94.1Very high92.5Very high113 Ų11373.7 Ų73.749%0.49136%0.356SS..Hα-helixtrans-58.6-50174.6-75.1165.7-173.5156.70110.7E50 E51 L56 M57 E58E50-K54 WeakPolarHBondContact O-CB 3.45Å; E50-K54 VanDerWaalsContact O-CG 3.25Å; E50-K54 WeakPolarHBondContact O-CG 3.35Å; E50-K54 PolarHBondContact O-N 2.82Å; E50-K54 IonicContact OE2-NZ 2.76Å; E50-K54 PolarHBondContact OE2-NZ 3.06Å; E50-K54 VanDerWaalsContact OE2-NZ 3.08Å; E51-K54 PolarHBondContact O-N 3.32Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-L56 PolarHBondContact O-N 3.33Å; K54-M57 PolarHBondContact O-N 3.36Å; K54-E58 WeakPolarHBondContact O-CG 3.48Å; K54-E58 PolarHBondContact O-N 3.22Å
55S92.7Very high92.4Very high33 Ų3372.5 Ų72.523%0.23135%0.351CS..Hα-helixtrans-61.7-41.1179.3-57.50000112.2E51 I52 E58 C59E51-S55 WeakPolarHBondContact O-CB 3.42Å; E51-S55 PolarHBondContact O-N 3.04Å; E51-S55 PolarHBondContact O-OG 2.86Å; I52-S55 PolarHBondContact O-N 3.15Å; S55-E58 PolarHBondContact O-N 2.81Å; S55-C59 WeakPolarHBondContact O-CB 3.2Å; S55-C59 PolarHBondContact O-N 3.09Å; S55-C59 PolarHBondContact O-SG 3.3Å
56L91.9Very high92.2Very high9 Ų971.5 Ų71.55%0.04735%0.347CS..Hα-helixtrans-64.3-42.9177-175.8147.9000111.7I52 N53 K54 C59 R60 W102 M106I52-L56 VanDerWaalsContact O-CB 3.25Å; I52-L56 WeakPolarHBondContact O-CB 3.27Å; I52-L56 PolarHBondContact O-N 3.45Å; N53-L56 PolarHBondContact O-N 3.37Å; K54-L56 VanDerWaalsContact C-N 3.34Å; K54-L56 PolarHBondContact O-N 3.33Å; L56-C59 PolarHBondContact O-N 3.5Å; L56-R60 HydrophobicContact CD2-CG 4.49Å; L56-R60 WeakPolarHBondContact O-CB 3.42Å; L56-R60 WeakPolarHBondContact O-CG 3.4Å; L56-R60 PolarHBondContact O-N 2.87Å; L56-W102 HydrophobicContact CB-CB 4.1Å; L56-W102 HydrophobicContact CD1-CB 4.19Å; L56-W102 HydrophobicContact CG-CB 4.33Å; L56-M106 HydrophobicContact CD1-CB 4.34Å
57M91.6Very high92.1Very high112 Ų11269.1 Ų69.155%0.55234%0.336SS*.Hα-helixtrans-64.8-40.4176.1-72.1-69.8-81.100111.9N53 K54 R60 R61N53-M57 WeakPolarHBondContact O-CB 3.24Å; N53-M57 VanDerWaalsContact O-CG 3.26Å; N53-M57 WeakPolarHBondContact O-CG 3.35Å; N53-M57 PolarHBondContact O-N 3.41Å; K54-M57 PolarHBondContact O-N 3.36Å; M57-R60 PolarHBondContact O-N 3.3Å; M57-R61 PolarHBondContact O-N 3.05Å
58E93.4Very high91.9Very high101 Ų10172.7 Ų72.747%0.47235%0.345SS..Hα-helixtrans-64.5-44.9174.3-74.8-175.9-166.300112.7K54 S55 R60 R61 K62K54-E58 WeakPolarHBondContact O-CG 3.48Å; K54-E58 PolarHBondContact O-N 3.22Å; S55-E58 PolarHBondContact O-N 2.81Å; E58-R60 VanDerWaalsContact C-N 3.34Å; E58-R60 PolarHBondContact O-N 2.91Å; E58-R61 PolarHBondContact O-N 3.48Å; E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3.18Å
59C91.6Very high91.5Very high10 Ų1072.8 Ų72.87%0.06835%0.345CS..Hα-helixtrans-61.2-42.6175.7-78.40000111.3S55 L56 K62 L63 W102S55-C59 WeakPolarHBondContact O-CB 3.2Å; S55-C59 PolarHBondContact O-N 3.09Å; S55-C59 PolarHBondContact O-SG 3.3Å; L56-C59 PolarHBondContact O-N 3.5Å; C59-K62 PolarHBondContact O-N 2.97Å; C59-L63 VanDerWaalsContact O-CB 3.26Å; C59-L63 WeakPolarHBondContact O-CB 3.27Å; C59-L63 PolarHBondContact O-N 3.46Å; C59-W102 PolarHBondContact SG-NE1 3.32Å
60R90.9Very high91.2Very high118 Ų11874 Ų7445%0.44535%0.349SS..Hα-helixtrans-61.6-43.1174.9-81-177.5173.6163.42.7112.7L56 M57 E58 L63 A64 E99L56-R60 HydrophobicContact CD2-CG 4.49Å; L56-R60 WeakPolarHBondContact O-CB 3.42Å; L56-R60 WeakPolarHBondContact O-CG 3.4Å; L56-R60 PolarHBondContact O-N 2.87Å; M57-R60 PolarHBondContact O-N 3.3Å; E58-R60 VanDerWaalsContact C-N 3.34Å; E58-R60 PolarHBondContact O-N 2.91Å; R60-L63 PolarHBondContact O-N 3.19Å; R60-A64 WeakPolarHBondContact O-CB 3.45Å; R60-A64 PolarHBondContact O-N 3.36Å; R60-E99 HydrophobicContact CG-CG 4.08Å; R60-E99 VanDerWaalsContact CG-OE1 3.31Å; R60-E99 WeakPolarHBondContact CG-OE1 3.26Å; R60-E99 IonicContact CZ-OE1 3.88Å; R60-E99 IonicContact NE-OE1 2.66Å; R60-E99 PolarHBondContact NE-OE1 3.33Å; R60-E99 IonicContact NH2-OE1 3.74Å
61R93.7Very high90.7Very high128 Ų12875.5 Ų75.548%0.48336%0.356SS..Hα-helixtrans-61.4-50.1176.3-175.1-175.764.582.1-3.1111.2M57 E58 L63 A64 E65M57-R61 PolarHBondContact O-N 3.05Å; E58-R61 PolarHBondContact O-N 3.48Å; R61-L63 VanDerWaalsContact C-N 3.31Å; R61-L63 PolarHBondContact O-N 2.94Å; R61-A64 PolarHBondContact O-N 3.47Å; R61-E65 IonicContact CZ-OE1 2.65Å; R61-E65 VanDerWaalsContact NH1-CD 3.33Å; R61-E65 IonicContact NH1-OE1 2.76Å; R61-E65 PolarHBondContact NH1-OE1 2.81Å; R61-E65 IonicContact NH1-OE2 3.47Å; R61-E65 PolarHBondContact NH1-OE2 3.49Å; R61-E65 WeakPolarHBondContact O-CG 3.47Å; R61-E65 PolarHBondContact O-N 3.42Å
62K92.2Very high90.3Very high88 Ų8875.2 Ų75.238%0.38336%0.355SS..Hα-helixtrans-59.5-42.5177.7-71.9174.5-176.6169.40111.4E58 C59 E65 T66 L95E58-K62 WeakPolarHBondContact O-CG 3.44Å; E58-K62 PolarHBondContact O-N 3.18Å; C59-K62 PolarHBondContact O-N 2.97Å; K62-E65 PolarHBondContact O-N 2.93Å; K62-T66 WeakPolarHBondContact O-CB 3.49Å; K62-T66 PolarHBondContact O-N 2.62Å; K62-T66 PolarHBondContact O-OG1 2.89Å; K62-L95 HydrophobicContact CB-CD1 4.2Å; K62-L95 HydrophobicContact CB-CD2 4.04Å; K62-L95 HydrophobicContact CD-CD2 4.44Å
63L91.1Very high89.6Confident13 Ų1376.3 Ų76.37%0.06836%0.361CS..Hα-helixtrans-62.5-44.4177.7-171.8151.2000111.7C59 R60 R61 T66 Q67 L95 K96 E99C59-L63 VanDerWaalsContact O-CB 3.26Å; C59-L63 WeakPolarHBondContact O-CB 3.27Å; C59-L63 PolarHBondContact O-N 3.46Å; R60-L63 PolarHBondContact O-N 3.19Å; R61-L63 VanDerWaalsContact C-N 3.31Å; R61-L63 PolarHBondContact O-N 2.94Å; L63-T66 PolarHBondContact O-N 2.92Å; L63-Q67 HydrophobicContact CD2-CG 4.05Å; L63-Q67 WeakPolarHBondContact O-CB 3.42Å; L63-Q67 WeakPolarHBondContact O-CG 3.46Å; L63-Q67 PolarHBondContact O-N 3.47Å; L63-L95 HydrophobicContact CB-CB 4.33Å; L63-L95 HydrophobicContact CD1-CB 4.4Å; L63-K96 HydrophobicContact CD1-CB 3.89Å; L63-K96 HydrophobicContact CD1-CG 4.32Å; L63-E99 HydrophobicContact CD1-CB 4.4Å; L63-E99 WeakPolarHBondContact CD1-OE2 3.33Å
64A91.8Very high88.7Confident55 Ų5576.4 Ų76.446%0.45537%0.367SS..Hα-helixtrans-62.9-41.5176.800000112.3R60 R61 Q67 K68R60-A64 WeakPolarHBondContact O-CB 3.45Å; R60-A64 PolarHBondContact O-N 3.36Å; R61-A64 PolarHBondContact O-N 3.47Å; A64-Q67 PolarHBondContact O-N 2.7Å; A64-K68 WeakPolarHBondContact O-CB 3.46Å; A64-K68 PolarHBondContact O-N 2.88Å
65E92.1Very high87.9Confident85 Ų8576.8 Ų76.840%0.39738%0.379SS..Hα-helixtrans-63.4-43.6174.9-73.7172.3-166.800111.9R61 K62 K68 K69R61-E65 IonicContact CZ-OE1 2.65Å; R61-E65 VanDerWaalsContact NH1-CD 3.33Å; R61-E65 IonicContact NH1-OE1 2.76Å; R61-E65 PolarHBondContact NH1-OE1 2.81Å; R61-E65 IonicContact NH1-OE2 3.47Å; R61-E65 PolarHBondContact NH1-OE2 3.49Å; R61-E65 WeakPolarHBondContact O-CG 3.47Å; R61-E65 PolarHBondContact O-N 3.42Å; K62-E65 PolarHBondContact O-N 2.93Å; E65-K68 PolarHBondContact O-N 2.93Å; E65-K69 WeakPolarHBondContact O-CG 3.42Å; E65-K69 PolarHBondContact O-N 3.3Å
66T88.5Confident86.7Confident10 Ų1077.6 Ų77.66%0.06139%0.388CS..Hα-helixtrans-66.6-39.3177.6-57.80000111.5K62 L63 K68 K69 L70 V88 E92 L95K62-T66 WeakPolarHBondContact O-CB 3.49Å; K62-T66 PolarHBondContact O-N 2.62Å; K62-T66 PolarHBondContact O-OG1 2.89Å; L63-T66 PolarHBondContact O-N 2.92Å; T66-K68 PolarHBondContact O-N 2.96Å; T66-K69 PolarHBondContact O-N 3.25Å; T66-L70 WeakPolarHBondContact O-CB 3.5Å; T66-L70 PolarHBondContact O-N 2.83Å; T66-V88 HydrophobicContact CG2-CG1 3.71Å; T66-E92 HydrophobicContact CG2-CB 3.97Å; T66-L95 HydrophobicContact CG2-CD1 4.34Å; T66-L95 WeakPolarHBondContact OG1-CD1 3.26Å
67Q88.4Confident85.1Confident72 Ų7283.4 Ų83.434%0.33643%0.429SS..Hα-helixtrans-63.1-40173.8-79-176.9-23.400112.6L63 A64 L70 Q71 E92L63-Q67 HydrophobicContact CD2-CG 4.05Å; L63-Q67 WeakPolarHBondContact O-CB 3.42Å; L63-Q67 WeakPolarHBondContact O-CG 3.46Å; L63-Q67 PolarHBondContact O-N 3.47Å; A64-Q67 PolarHBondContact O-N 2.7Å; Q67-L70 WeakPolarHBondContact O-CB 3.39Å; Q67-L70 PolarHBondContact O-N 2.91Å; Q67-Q71 WeakPolarHBondContact O-CG 3.43Å; Q67-Q71 PolarHBondContact O-N 3.4Å; Q67-E92 HydrophobicContact CG-CG 4.09Å; Q67-E92 WeakPolarHBondContact CG-OE1 3.23Å; Q67-E92 PolarHBondContact NE2-OE1 3.43Å
68K89.3Confident84Confident130 Ų13080.9 Ų80.957%0.56542%0.422SS*.Hα-helixtrans-63.4-46.4174.5-171-177.3176.2-171.40111.4A64 E65 T66 L70 Q71 E72A64-K68 WeakPolarHBondContact O-CB 3.46Å; A64-K68 PolarHBondContact O-N 2.88Å; E65-K68 PolarHBondContact O-N 2.93Å; T66-K68 PolarHBondContact O-N 2.96Å; K68-L70 VanDerWaalsContact C-N 3.27Å; K68-L70 PolarHBondContact O-N 3Å; K68-Q71 WeakPolarHBondContact O-CB 3.43Å; K68-Q71 PolarHBondContact O-N 2.72Å; K68-E72 VanDerWaalsContact CE-OE1 3.27Å; K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 WeakPolarHBondContact O-CG 3.4Å; K68-E72 PolarHBondContact O-N 3.4Å
69K85.7Confident82.6Confident113 Ų11381.6 Ų81.649%0.49143%0.43SS..Hα-helixtrans-60.1-36.8174.4-71.5174.7-176.9176.70112.3E65 T66 E72 L73 V88E65-K69 WeakPolarHBondContact O-CG 3.42Å; E65-K69 PolarHBondContact O-N 3.3Å; T66-K69 PolarHBondContact O-N 3.25Å; K69-E72 PolarHBondContact O-N 2.96Å; K69-L73 WeakPolarHBondContact O-CB 3.26Å; K69-L73 WeakPolarHBondContact O-CG 3.46Å; K69-L73 PolarHBondContact O-N 3.36Å; K69-V88 HydrophobicContact CB-CG1 4.41Å
70L84.8Confident81.5Confident34 Ų3487.1 Ų87.118%0.17846%0.458CS..Hα-helixtrans-64.3-42.4176.6-157.4113.2000111.8T66 Q67 K68 S74 V88 Q89 E92T66-L70 WeakPolarHBondContact O-CB 3.5Å; T66-L70 PolarHBondContact O-N 2.83Å; Q67-L70 WeakPolarHBondContact O-CB 3.39Å; Q67-L70 PolarHBondContact O-N 2.91Å; K68-L70 VanDerWaalsContact C-N 3.27Å; K68-L70 PolarHBondContact O-N 3Å; L70-S74 WeakPolarHBondContact O-CB 3.36Å; L70-S74 PolarHBondContact O-N 3.01Å; L70-V88 HydrophobicContact CB-CG1 4.28Å; L70-V88 HydrophobicContact CD1-CB 4.41Å; L70-V88 HydrophobicContact CD1-CG1 3.85Å; L70-Q89 HydrophobicContact CD1-CB 4.19Å; L70-Q89 HydrophobicContact CD1-CG 3.5Å; L70-Q89 VanDerWaalsContact CD1-CG 3.5Å; L70-Q89 HydrophobicContact CG-CG 4.36Å; L70-E92 HydrophobicContact CD1-CB 4.45Å
71Q83.8Confident80.3Confident137 Ų13782 Ų8264%0.6444%0.442SS*.Hα-helixtrans-63.4-46.2174.4-72.1177.4-6.800111.2Q67 K68 S74Q67-Q71 WeakPolarHBondContact O-CG 3.43Å; Q67-Q71 PolarHBondContact O-N 3.4Å; K68-Q71 WeakPolarHBondContact O-CB 3.43Å; K68-Q71 PolarHBondContact O-N 2.72Å; Q71-S74 PolarHBondContact O-N 3Å; Q71-S74 PolarHBondContact O-OG 3.26Å
72E84.1Confident79.3Confident113 Ų11381.6 Ų81.653%0.52844%0.443SS..Hα-helixtrans-61.5-44.6178.3-70.4169.8-174.500112.3K68 K69 V75K68-E72 VanDerWaalsContact CE-OE1 3.27Å; K68-E72 WeakPolarHBondContact CE-OE1 3.46Å; K68-E72 WeakPolarHBondContact O-CG 3.4Å; K68-E72 PolarHBondContact O-N 3.4Å; K69-E72 PolarHBondContact O-N 2.96Å; E72-V75 PolarHBondContact O-N 2.99Å
73L78.9Confident78.5Confident49 Ų4981 Ų8126%0.25745%0.447SS..Hα-helixtrans-72.3-25.7178.8-72.5167.8000113.4K69 V75 A76 L85 V88K69-L73 WeakPolarHBondContact O-CB 3.26Å; K69-L73 WeakPolarHBondContact O-CG 3.46Å; K69-L73 PolarHBondContact O-N 3.36Å; L73-V75 PolarHBondContact O-N 3.34Å; L73-A76 PolarHBondContact O-N 2.92Å; L73-L85 HydrophobicContact CB-CD1 3.93Å; L73-V88 HydrophobicContact CD1-CB 4.41Å; L73-V88 HydrophobicContact CD1-CG2 3.84Å
74S73.1Confident77.9Confident81 Ų8184.2 Ų84.257%0.56646%0.462SS*.Hα-helixtrans-67.4-19.8176.475.50000113.7L70 Q71L70-S74 WeakPolarHBondContact O-CB 3.36Å; L70-S74 PolarHBondContact O-N 3.01Å; Q71-S74 PolarHBondContact O-N 3Å; Q71-S74 PolarHBondContact O-OG 3.26Å
75V76.3Confident77.3Confident121 Ų12183.3 Ų83.373%0.73345%0.449SS*.THydrogen-bonded Turntrans-89.7-15.1179.8-178.60000111.8E72 L73E72-V75 PolarHBondContact O-N 2.99Å; L73-V75 PolarHBondContact O-N 3.34Å
76A68.9Low76.8Confident51 Ų5184 Ų8442%0.42146%0.456SS..  trans-94.4123.1-177.500000112.6L73 S78 A81L73-A76 PolarHBondContact O-N 2.92Å; A76-S78 PolarHBondContact O-N 2.95Å; A76-A81 HydrophobicContact CB-CB 4.19Å
77S57.1Low76.6Confident130 Ų13089.3 Ų89.391%0.90948%0.478SS*.  trans-98.737.7-173.8-65.50000115.2
78S69.3Low76.5Confident59 Ų5986.6 Ų86.641%0.41347%0.466SS..  trans-91.8148.8173.5167.40000111.3A76 D80 A81 K82A76-S78 PolarHBondContact O-N 2.95Å; S78-D80 VanDerWaalsContact C-N 3.29Å; S78-D80 PolarHBondContact O-N 3.37Å; S78-D80 PolarHBondContact OG-N 3.38Å; S78-A81 VanDerWaalsContact O-CB 3.31Å; S78-A81 WeakPolarHBondContact O-CB 3.25Å; S78-A81 PolarHBondContact O-N 2.95Å; S78-K82 PolarHBondContact O-N 3.44Å
79D64.3Low76.3Confident117 Ų11783.6 Ų83.663%0.62645%0.454SS*.Hα-helixtrans-67.4-28.2174.3-90.4-16.6000112.6A81 K82D79-A81 VanDerWaalsContact C-N 3.31Å; D79-K82 PolarHBondContact O-N 3.41Å; D79-K82 IonicContact OD1-NZ 2.8Å; D79-K82 PolarHBondContact OD1-NZ 2.96Å
80D66.8Low76.3Confident125 Ų12580.5 Ų80.567%0.66845%0.449SS*.Hα-helixtrans-68.6-31.4168.4-70.5-31.4000111.6S78 K82 T83 E84S78-D80 VanDerWaalsContact C-N 3.29Å; S78-D80 PolarHBondContact O-N 3.37Å; S78-D80 PolarHBondContact OG-N 3.38Å; D80-K82 VanDerWaalsContact C-N 3.34Å; D80-K82 PolarHBondContact O-N 2.91Å; D80-T83 PolarHBondContact O-N 3.49Å; D80-T83 PolarHBondContact O-OG1 2.94Å; D80-E84 PolarHBondContact O-N 3.24Å
81A66.3Low76.5Confident12 Ų1283.9 Ų83.910%0.09946%0.464CS..Hα-helixtrans-69.4-30.8177.300000112.2A76 S78 D79 L85A76-A81 HydrophobicContact CB-CB 4.19Å; S78-A81 VanDerWaalsContact O-CB 3.31Å; S78-A81 WeakPolarHBondContact O-CB 3.25Å; S78-A81 PolarHBondContact O-N 2.95Å; D79-A81 VanDerWaalsContact C-N 3.31Å; A81-L85 WeakPolarHBondContact O-CB 3.48Å; A81-L85 PolarHBondContact O-N 3.31Å
82K73Confident76.8Confident119 Ų11978.9 Ų78.952%0.51744%0.441SS..Hα-helixtrans-69-36.4176.1-69.5176.9-168.8151.80113S78 D79 D80 N86S78-K82 PolarHBondContact O-N 3.44Å; D79-K82 PolarHBondContact O-N 3.41Å; D79-K82 IonicContact OD1-NZ 2.8Å; D79-K82 PolarHBondContact OD1-NZ 2.96Å; D80-K82 VanDerWaalsContact C-N 3.34Å; D80-K82 PolarHBondContact O-N 2.91Å; K82-N86 PolarHBondContact O-N 3.3Å; K82-N86 PolarHBondContact O-ND2 3.13Å
83T76.2Confident77Confident75 Ų7580.7 Ų80.746%0.4645%0.447SS..Hα-helixtrans-72.9-39.8178.158.20000111.2D80 N86 K87D80-T83 PolarHBondContact O-N 3.49Å; D80-T83 PolarHBondContact O-OG1 2.94Å; T83-N86 PolarHBondContact O-N 2.78Å; T83-K87 WeakPolarHBondContact O-CG 3.42Å; T83-K87 PolarHBondContact O-N 3.2Å
84E78.1Confident77.6Confident80 Ų8085 Ų8537%0.37446%0.464SS..Hα-helixtrans-67-38.5172.2-69.2-56.6126.500112.5D80 N86 K87 V88D80-E84 PolarHBondContact O-N 3.24Å; E84-N86 VanDerWaalsContact C-N 3.31Å; E84-N86 PolarHBondContact O-N 3.36Å; E84-K87 PolarHBondContact O-N 3.44Å; E84-K87 VanDerWaalsContact O-N 3.14Å; E84-K87 IonicContact OE1-NZ 3.67Å; E84-K87 PolarHBondContact OE1-NZ 2.95Å; E84-V88 WeakPolarHBondContact O-CG2 3.4Å; E84-V88 PolarHBondContact O-N 2.91Å
85L79.4Confident78.4Confident36 Ų3681.8 Ų81.819%0.18844%0.44CS..Hα-helixtrans-57.2-43.8173.4-169.893.8000111.7L73 A81 K87 V88 Q89L73-L85 HydrophobicContact CB-CD1 3.93Å; A81-L85 WeakPolarHBondContact O-CB 3.48Å; A81-L85 PolarHBondContact O-N 3.31Å; L85-K87 VanDerWaalsContact C-N 3.34Å; L85-K87 PolarHBondContact O-N 3.42Å; L85-V88 PolarHBondContact O-N 2.91Å; L85-Q89 VanDerWaalsContact O-CB 3.3Å; L85-Q89 WeakPolarHBondContact O-CB 3.41Å; L85-Q89 WeakPolarHBondContact O-CG 3.44Å; L85-Q89 PolarHBondContact O-N 3Å
86N81.1Confident79.1Confident100 Ų10081.9 Ų81.954%0.53543%0.431SS..Hα-helixtrans-65.8-36177.8-75-29.7000112.4K82 T83 E84 A90K82-N86 PolarHBondContact O-N 3.3Å; K82-N86 PolarHBondContact O-ND2 3.13Å; T83-N86 PolarHBondContact O-N 2.78Å; E84-N86 VanDerWaalsContact C-N 3.31Å; E84-N86 PolarHBondContact O-N 3.36Å; N86-A90 WeakPolarHBondContact O-CB 3.38Å; N86-A90 PolarHBondContact O-N 2.96Å
87K84.7Confident80.2Confident122 Ų12286.2 Ų86.253%0.5344%0.44SS..Hα-helixtrans-67.5-47.5175-69175.1-170.8168.70111.5T83 E84 L85 Q89 A90 E91T83-K87 WeakPolarHBondContact O-CG 3.42Å; T83-K87 PolarHBondContact O-N 3.2Å; E84-K87 PolarHBondContact O-N 3.44Å; E84-K87 VanDerWaalsContact O-N 3.14Å; E84-K87 IonicContact OE1-NZ 3.67Å; E84-K87 PolarHBondContact OE1-NZ 2.95Å; L85-K87 VanDerWaalsContact C-N 3.34Å; L85-K87 PolarHBondContact O-N 3.42Å; K87-Q89 PolarHBondContact O-N 3.39Å; K87-A90 WeakPolarHBondContact O-CB 3.25Å; K87-A90 PolarHBondContact O-N 3.12Å; K87-A90 VanDerWaalsContact O-N 3.16Å; K87-E91 PolarHBondContact O-N 3.4Å
88V85.1Confident81.8Confident14 Ų1484.3 Ų84.39%0.08542%0.417CS..Hα-helixtrans-66.7-36.6179.2178.60000111.2T66 K69 L70 L73 E84 L85 E91 E92T66-V88 HydrophobicContact CG2-CG1 3.71Å; K69-V88 HydrophobicContact CB-CG1 4.41Å; L70-V88 HydrophobicContact CB-CG1 4.28Å; L70-V88 HydrophobicContact CD1-CB 4.41Å; L70-V88 HydrophobicContact CD1-CG1 3.85Å; L73-V88 HydrophobicContact CD1-CB 4.41Å; L73-V88 HydrophobicContact CD1-CG2 3.84Å; E84-V88 WeakPolarHBondContact O-CG2 3.4Å; E84-V88 PolarHBondContact O-N 2.91Å; L85-V88 PolarHBondContact O-N 2.91Å; V88-E91 PolarHBondContact O-N 2.94Å; V88-E92 WeakPolarHBondContact O-CB 3.47Å; V88-E92 PolarHBondContact O-N 3.47Å
89Q85.1Confident82.9Confident68 Ų6883.8 Ų83.832%0.31841%0.408SS..Hα-helixtrans-63-39.8170.9-84.2-177.212.700112.7L70 L85 K87 E91 K93L70-Q89 HydrophobicContact CD1-CB 4.19Å; L70-Q89 HydrophobicContact CD1-CG 3.5Å; L70-Q89 VanDerWaalsContact CD1-CG 3.5Å; L70-Q89 HydrophobicContact CG-CG 4.36Å; L85-Q89 VanDerWaalsContact O-CB 3.3Å; L85-Q89 WeakPolarHBondContact O-CB 3.41Å; L85-Q89 WeakPolarHBondContact O-CG 3.44Å; L85-Q89 PolarHBondContact O-N 3Å; K87-Q89 PolarHBondContact O-N 3.39Å; Q89-E91 VanDerWaalsContact C-N 3.34Å; Q89-K93 WeakPolarHBondContact O-CG 3.35Å; Q89-K93 PolarHBondContact O-N 2.94Å
90A86.8Confident84.2Confident47 Ų4786.4 Ų86.439%0.38841%0.409SS..Hα-helixtrans-67.7-37.6175.800000111.4N86 K87 K93 K94N86-A90 WeakPolarHBondContact O-CB 3.38Å; N86-A90 PolarHBondContact O-N 2.96Å; K87-A90 WeakPolarHBondContact O-CB 3.25Å; K87-A90 PolarHBondContact O-N 3.12Å; K87-A90 VanDerWaalsContact O-N 3.16Å; A90-K93 PolarHBondContact O-N 2.96Å; A90-K94 WeakPolarHBondContact O-CG 3.37Å; A90-K94 PolarHBondContact O-N 3.03Å; A90-K94 VanDerWaalsContact O-N 3.07Å
91E88.1Confident85.5Confident105 Ų10583.2 Ų83.249%0.49139%0.392SS..Hα-helixtrans-68.5-41.6175.8-163.6172.7-166.200112.1K87 V88 Q89 K93 K94 L95K87-E91 PolarHBondContact O-N 3.4Å; V88-E91 PolarHBondContact O-N 2.94Å; Q89-E91 VanDerWaalsContact C-N 3.34Å; E91-K93 PolarHBondContact O-N 3Å; E91-K94 WeakPolarHBondContact O-CB 3.44Å; E91-K94 PolarHBondContact O-N 3.34Å; E91-L95 HydrophobicContact CG-CD1 4.29Å; E91-L95 WeakPolarHBondContact O-CB 3.38Å; E91-L95 WeakPolarHBondContact O-CG 3.48Å; E91-L95 PolarHBondContact O-N 3.32Å
92E89.5Confident86.7Confident33 Ų3385.5 Ų85.515%0.15440%0.398CS..Hα-helixtrans-59.7-45.7172.8-168.4-159.6171.700111.1T66 Q67 L70 V88 K94 L95 K96T66-E92 HydrophobicContact CG2-CB 3.97Å; Q67-E92 HydrophobicContact CG-CG 4.09Å; Q67-E92 WeakPolarHBondContact CG-OE1 3.23Å; Q67-E92 PolarHBondContact NE2-OE1 3.43Å; L70-E92 HydrophobicContact CD1-CB 4.45Å; V88-E92 WeakPolarHBondContact O-CB 3.47Å; V88-E92 PolarHBondContact O-N 3.47Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 2.83Å; E92-L95 PolarHBondContact O-N 3.3Å; E92-K96 VanDerWaalsContact O-CB 3.22Å; E92-K96 WeakPolarHBondContact O-CB 3.34Å; E92-K96 PolarHBondContact O-N 3.39Å
93K90.1Very high87.5Confident150 Ų15082.5 Ų82.565%0.65239%0.392SS*.Hα-helixtrans-61.5-36.8176.5-75.9176.1-177.4174.40112.2Q89 A90 E91 K97Q89-K93 WeakPolarHBondContact O-CG 3.35Å; Q89-K93 PolarHBondContact O-N 2.94Å; A90-K93 PolarHBondContact O-N 2.96Å; E91-K93 PolarHBondContact O-N 3Å; K93-K97 PolarHBondContact O-N 3.27Å
94K90.9Very high88.3Confident140 Ų14084.3 Ų84.361%0.60939%0.394SS*.Hα-helixtrans-67.4-51.7174.9-74.4176-178.3-176.80111.3A90 E91 E92 K96 K97 E98A90-K94 WeakPolarHBondContact O-CG 3.37Å; A90-K94 PolarHBondContact O-N 3.03Å; A90-K94 VanDerWaalsContact O-N 3.07Å; E91-K94 WeakPolarHBondContact O-CB 3.44Å; E91-K94 PolarHBondContact O-N 3.34Å; E92-K94 VanDerWaalsContact C-N 3.29Å; E92-K94 PolarHBondContact O-N 2.83Å; K94-K96 VanDerWaalsContact C-N 3.27Å; K94-K96 PolarHBondContact O-N 3Å; K94-K97 WeakPolarHBondContact O-CA 3.44Å; K94-K97 WeakPolarHBondContact O-CB 3.45Å; K94-K97 PolarHBondContact O-N 2.9Å; K94-E98 PolarHBondContact O-N 3.38Å
95L89.7Confident89.1Confident13 Ų1385 Ų857%0.06840%0.395CS..Hα-helixtrans-60-36.5178.6-71.6169.4000112.2K62 L63 T66 E91 E92 K97 E98 E99K62-L95 HydrophobicContact CB-CD1 4.2Å; K62-L95 HydrophobicContact CB-CD2 4.04Å; K62-L95 HydrophobicContact CD-CD2 4.44Å; L63-L95 HydrophobicContact CB-CB 4.33Å; L63-L95 HydrophobicContact CD1-CB 4.4Å; T66-L95 HydrophobicContact CG2-CD1 4.34Å; T66-L95 WeakPolarHBondContact OG1-CD1 3.26Å; E91-L95 HydrophobicContact CG-CD1 4.29Å; E91-L95 WeakPolarHBondContact O-CB 3.38Å; E91-L95 WeakPolarHBondContact O-CG 3.48Å; E91-L95 PolarHBondContact O-N 3.32Å; E92-L95 PolarHBondContact O-N 3.3Å; L95-K97 VanDerWaalsContact C-N 3.34Å; L95-E98 PolarHBondContact O-N 3.24Å; L95-E99 PolarHBondContact O-N 3.04Å
96K90.7Very high89.6Confident124 Ų12485.7 Ų85.754%0.53940%0.398SS..Hα-helixtrans-68.1-32.7175.6-167.8172.2-173.1169.80112.7L63 E92 K94 R100L63-K96 HydrophobicContact CD1-CB 3.89Å; L63-K96 HydrophobicContact CD1-CG 4.32Å; E92-K96 VanDerWaalsContact O-CB 3.22Å; E92-K96 WeakPolarHBondContact O-CB 3.34Å; E92-K96 PolarHBondContact O-N 3.39Å; K94-K96 VanDerWaalsContact C-N 3.27Å; K94-K96 PolarHBondContact O-N 3Å; K96-R100 WeakPolarHBondContact O-CB 3.22Å; K96-R100 PolarHBondContact O-N 2.98Å
97K92.3Very high90.1Very high142 Ų14284.2 Ų84.262%0.61739%0.388SS*.Hα-helixtrans-69.6-44.5172-171.1-176.4175.7-172.50110.5K93 K94 L95 R100 D101K93-K97 PolarHBondContact O-N 3.27Å; K94-K97 WeakPolarHBondContact O-CA 3.44Å; K94-K97 WeakPolarHBondContact O-CB 3.45Å; K94-K97 PolarHBondContact O-N 2.9Å; L95-K97 VanDerWaalsContact C-N 3.34Å; K97-R100 PolarHBondContact O-N 3.46Å; K97-D101 PolarHBondContact O-N 3.43Å
98E90.9Very high90.5Very high90 Ų9084 Ų8442%0.42139%0.389SS..Hα-helixtrans-60.7-44.8176.5-70.3172.6-168.600112K94 L95 R100 D101 W102K94-E98 PolarHBondContact O-N 3.38Å; L95-E98 PolarHBondContact O-N 3.24Å; E98-R100 VanDerWaalsContact C-N 3.32Å; E98-R100 PolarHBondContact O-N 2.92Å; E98-D101 PolarHBondContact O-N 3.07Å; E98-W102 PolarHBondContact O-N 2.89Å
99E91.9Very high90.8Very high47 Ų4784.2 Ų84.222%0.2239%0.389CS..Hα-helixtrans-58.5-44.5174.5-171.5-165.5-177.400111.4R60 L63 L95 D101 W102 S103R60-E99 HydrophobicContact CG-CG 4.08Å; R60-E99 VanDerWaalsContact CG-OE1 3.31Å; R60-E99 WeakPolarHBondContact CG-OE1 3.26Å; R60-E99 IonicContact CZ-OE1 3.88Å; R60-E99 IonicContact NE-OE1 2.66Å; R60-E99 PolarHBondContact NE-OE1 3.33Å; R60-E99 IonicContact NH2-OE1 3.74Å; L63-E99 HydrophobicContact CD1-CB 4.4Å; L63-E99 WeakPolarHBondContact CD1-OE2 3.33Å; L95-E99 PolarHBondContact O-N 3.04Å; E99-D101 VanDerWaalsContact C-N 3.29Å; E99-D101 PolarHBondContact O-N 3.35Å; E99-W102 PolarHBondContact O-N 2.92Å; E99-S103 WeakPolarHBondContact O-CB 3.38Å; E99-S103 PolarHBondContact O-N 3.41Å
100R91.8Very high91.1Very high172 Ų17286.7 Ų86.765%0.64940%0.395SS*.Hα-helixtrans-63.2-38.2178.3-171.4178.4-177.9-176.20.7111.7K96 K97 E98 S103 K104K96-R100 WeakPolarHBondContact O-CB 3.22Å; K96-R100 PolarHBondContact O-N 2.98Å; K97-R100 PolarHBondContact O-N 3.46Å; E98-R100 VanDerWaalsContact C-N 3.32Å; E98-R100 PolarHBondContact O-N 2.92Å; R100-S103 PolarHBondContact O-N 2.88Å; R100-K104 WeakPolarHBondContact O-CG 3.4Å; R100-K104 PolarHBondContact O-N 3.46Å
101D93.1Very high91.4Very high58 Ų5892 Ų9231%0.3141%0.405SS..Hα-helixtrans-73.6-37.7179.3-68.3-23.7000111.6K97 E98 E99 K104 K105K97-D101 PolarHBondContact O-N 3.43Å; E98-D101 PolarHBondContact O-N 3.07Å; E99-D101 VanDerWaalsContact C-N 3.29Å; E99-D101 PolarHBondContact O-N 3.35Å; D101-K104 PolarHBondContact O-N 2.97Å; D101-K104 IonicContact OD1-NZ 2.9Å; D101-K104 PolarHBondContact OD1-NZ 3.17Å; D101-K105 WeakPolarHBondContact O-CG 3.46Å; D101-K105 PolarHBondContact O-N 2.98Å; D101-K105 VanDerWaalsContact O-N 3.08Å
102W91.5Very high91.5Very high60 Ų6091.5 Ų91.523%0.22740%0.403CS..Hα-helixtrans-64.3-39.8169.5-73.9120.3000112.7I52 L56 C59 E98 E99 K104 K105 M106I52-W102 HydrophobicContact CG1-CZ3 4.33Å; I52-W102 HydrophobicContact CG2-CE3 4.33Å; L56-W102 HydrophobicContact CB-CB 4.1Å; L56-W102 HydrophobicContact CD1-CB 4.19Å; L56-W102 HydrophobicContact CG-CB 4.33Å; C59-W102 PolarHBondContact SG-NE1 3.32Å; E98-W102 PolarHBondContact O-N 2.89Å; E99-W102 PolarHBondContact O-N 2.92Å; W102-K104 VanDerWaalsContact C-N 3.29Å; W102-K104 PolarHBondContact O-N 3.48Å; W102-K105 HydrophobicContact CD2-CD 4.44Å; W102-K105 HydrophobicContact CE3-CD 3.58Å; W102-K105 HydrophobicContact CZ3-CD 3.65Å; W102-K105 PolarHBondContact O-N 3.3Å; W102-M106 PolarHBondContact O-N 3.22Å
103S90.8Very high91.5Very high57 Ų5795 Ų9540%0.39942%0.419SS..Hα-helixtrans-64-34.7176-175.50000112.3E99 R100 E107E99-S103 WeakPolarHBondContact O-CB 3.38Å; E99-S103 PolarHBondContact O-N 3.41Å; R100-S103 PolarHBondContact O-N 2.88Å; S103-E107 PolarHBondContact O-N 3.44Å; S103-E107 VanDerWaalsContact O-N 3.15Å
104K93.8Very high91.4Very high113 Ų11395.9 Ų95.949%0.49142%0.423SS..Hα-helixtrans-66.9-44.6172.8-72.1168.5-169.41600111.4R100 D101 W102 M106 E107 E108R100-K104 WeakPolarHBondContact O-CG 3.4Å; R100-K104 PolarHBondContact O-N 3.46Å; D101-K104 PolarHBondContact O-N 2.97Å; D101-K104 IonicContact OD1-NZ 2.9Å; D101-K104 PolarHBondContact OD1-NZ 3.17Å; W102-K104 VanDerWaalsContact C-N 3.29Å; W102-K104 PolarHBondContact O-N 3.48Å; K104-M106 VanDerWaalsContact C-N 3.28Å; K104-M106 PolarHBondContact O-N 3.4Å; K104-E107 PolarHBondContact O-N 3.48Å; K104-E108 PolarHBondContact O-N 3.23Å
105K93Very high91.3Very high94 Ų9497 Ų9741%0.40943%0.428SS..Hα-helixtrans-59.6-38.6175.8-70.9175.9178.2-177.80112.1I52 D101 W102 E108 H109I52-K105 HydrophobicContact CD1-CB 4.41Å; I52-K105 HydrophobicContact CG2-CB 4.27Å; D101-K105 WeakPolarHBondContact O-CG 3.46Å; D101-K105 PolarHBondContact O-N 2.98Å; D101-K105 VanDerWaalsContact O-N 3.08Å; W102-K105 HydrophobicContact CD2-CD 4.44Å; W102-K105 HydrophobicContact CE3-CD 3.58Å; W102-K105 HydrophobicContact CZ3-CD 3.65Å; W102-K105 PolarHBondContact O-N 3.3Å; K105-E108 PolarHBondContact O-N 2.93Å; K105-H109 PolarHBondContact O-N 2.81Å
106M89.9Confident91.3Very high50 Ų5099.3 Ų99.325%0.24644%0.439CS..Hα-helixtrans-66.8-38.9176-168.368.9-160.400112.6I52 L56 W102 K104 H109 R110I52-M106 HydrophobicContact CG2-CB 3.99Å; I52-M106 HydrophobicContact CG2-SD 3.83Å; L56-M106 HydrophobicContact CD1-CB 4.34Å; W102-M106 PolarHBondContact O-N 3.22Å; K104-M106 VanDerWaalsContact C-N 3.28Å; K104-M106 PolarHBondContact O-N 3.4Å; M106-H109 PolarHBondContact O-N 3.18Å; M106-R110 PolarHBondContact O-N 3.23Å
107E91.9Very high91.4Very high70 Ų7096 Ų9633%0.32743%0.43SS..Hα-helixtrans-71.7-32.1176.1-175.858.2-154.300112S103 K104 R110 R111S103-E107 PolarHBondContact O-N 3.44Å; S103-E107 VanDerWaalsContact O-N 3.15Å; K104-E107 PolarHBondContact O-N 3.48Å; E107-R110 PolarHBondContact O-N 2.97Å; E107-R110 IonicContact OE2-CZ 3.07Å; E107-R110 IonicContact OE2-NH1 2.82Å; E107-R110 PolarHBondContact OE2-NH1 2.92Å; E107-R111 VanDerWaalsContact O-CG 3.31Å; E107-R111 WeakPolarHBondContact O-CG 3.37Å; E107-R111 PolarHBondContact O-N 2.86Å; E107-R111 IonicContact OE1-NE 3.98Å
108E92.9Very high91.5Very high116 Ų11693.4 Ų93.454%0.54242%0.417SS..Hα-helixtrans-63.8-47.6170.5-174167.3-152.600111.4K104 K105 R110 R111 E112K104-E108 PolarHBondContact O-N 3.23Å; K105-E108 PolarHBondContact O-N 2.93Å; E108-R110 VanDerWaalsContact C-N 3.33Å; E108-R110 PolarHBondContact O-N 3.5Å; E108-R111 WeakPolarHBondContact O-CA 3.4Å; E108-R111 WeakPolarHBondContact O-CB 3.41Å; E108-R111 PolarHBondContact O-N 3.24Å; E108-E112 PolarHBondContact O-N 2.9Å
109H92.5Very high91.6Very high20 Ų2089.6 Ų89.69%0.09340%0.399CS..Hα-helixtrans-56.3-43.7174-177.4-91.4000112.2F45 G49 I52 K105 M106 R111 E112 E113F45-H109 AromaticContact CD1-NE2 3.78Å; F45-H109 AromaticContact CD2-NE2 3.89Å; F45-H109 AromaticContact CE1-CE1 3.44Å; F45-H109 VanDerWaalsContact CE1-CE1 3.44Å; F45-H109 WeakPolarHBondContact CE1-CE1 3.48Å; F45-H109 AromaticContact CE1-NE2 3.42Å; F45-H109 WeakPolarHBondContact CE1-NE2 3.39Å; F45-H109 AromaticContact CE2-CD2 3.64Å; F45-H109 AromaticContact CE2-NE2 3.52Å; F45-H109 AromaticContact CZ-CD2 3.68Å; F45-H109 AromaticContact CZ-CE1 3.46Å; F45-H109 VanDerWaalsContact CZ-CE1 3.46Å; F45-H109 WeakPolarHBondContact CZ-CE1 3.49Å; F45-H109 AromaticContact CZ-ND1 3.98Å; F45-H109 AromaticContact CZ-NE2 3.28Å; F45-H109 VanDerWaalsContact CZ-NE2 3.28Å; F45-H109 WeakPolarHBondContact CZ-NE2 3.41Å; F45-H109 WeakPolarHBondContact CZ-O 3.46Å; F45-H109 PolarHBondContact O-NE2 3.47Å; G49-H109 WeakPolarHBondContact CA-NE2 3.4Å; I52-H109 HydrophobicContact CD1-CB 4.33Å; K105-H109 PolarHBondContact O-N 2.81Å; M106-H109 PolarHBondContact O-N 3.18Å; H109-R111 VanDerWaalsContact C-N 3.31Å; H109-R111 PolarHBondContact O-N 3.01Å; H109-E112 WeakPolarHBondContact O-CB 3.4Å; H109-E112 PolarHBondContact O-N 2.94Å; H109-E113 PolarHBondContact O-N 3.42Å
110R90.6Very high91.7Very high120 Ų12092.5 Ų92.545%0.45342%0.42SS..Hα-helixtrans-64.3-32174.6-172.1-174.6-71162.5-10.2113.4M106 E107 E108 K114M106-R110 PolarHBondContact O-N 3.23Å; E107-R110 PolarHBondContact O-N 2.97Å; E107-R110 IonicContact OE2-CZ 3.07Å; E107-R110 IonicContact OE2-NH1 2.82Å; E107-R110 PolarHBondContact OE2-NH1 2.92Å; E108-R110 VanDerWaalsContact C-N 3.33Å; E108-R110 PolarHBondContact O-N 3.5Å; R110-K114 PolarHBondContact O-N 3.38Å
111R92.4Very high91.7Very high158 Ų15888.8 Ų88.860%0.59641%0.413SS*.Hα-helixtrans-72.2-35.5175-74.7171.5178.1-164.7-3.1111.6E107 E108 H109 K115E107-R111 VanDerWaalsContact O-CG 3.31Å; E107-R111 WeakPolarHBondContact O-CG 3.37Å; E107-R111 PolarHBondContact O-N 2.86Å; E107-R111 IonicContact OE1-NE 3.98Å; E108-R111 WeakPolarHBondContact O-CA 3.4Å; E108-R111 WeakPolarHBondContact O-CB 3.41Å; E108-R111 PolarHBondContact O-N 3.24Å; H109-R111 VanDerWaalsContact C-N 3.31Å; H109-R111 PolarHBondContact O-N 3.01Å; R111-K115 WeakPolarHBondContact O-CG 3.27Å; R111-K115 PolarHBondContact O-N 2.65Å
112E90.5Very high91.6Very high94 Ų9488.8 Ų88.844%0.43942%0.415SS..Hα-helixtrans-66.3-40.2172.2-68.7179.8170.700111.1F45 E108 H109 K114 K115 M116F45-E112 HydrophobicContact CE2-CB 3.73Å; F45-E112 HydrophobicContact CZ-CB 4.21Å; E108-E112 PolarHBondContact O-N 2.9Å; H109-E112 WeakPolarHBondContact O-CB 3.4Å; H109-E112 PolarHBondContact O-N 2.94Å; E112-K114 VanDerWaalsContact C-N 3.3Å; E112-K114 PolarHBondContact O-N 2.83Å; E112-K115 CarbonylContact O-C 3.43Å; E112-K115 WeakPolarHBondContact O-CA 3.28Å; E112-K115 PolarHBondContact O-N 2.99Å; E112-M116 WeakPolarHBondContact O-CG 3.24Å; E112-M116 PolarHBondContact O-N 3.43Å; E112-M116 VanDerWaalsContact O-N 3.09Å
113E89.7Confident91.7Very high106 Ų10689.6 Ų89.650%0.49542%0.423SS..Hα-helixtrans-55.6-43.7175-174.1-179.6-164.200112F45 H109 K115 M116F45-E113 HydrophobicContact CE1-CB 4.1Å; F45-E113 HydrophobicContact CE1-CG 4.42Å; F45-E113 HydrophobicContact CZ-CB 3.88Å; H109-E113 PolarHBondContact O-N 3.42Å; E113-K115 PolarHBondContact O-N 3.3Å; E113-M116 HydrophobicContact CB-CE 4.28Å; E113-M116 HydrophobicContact CG-CE 3.85Å; E113-M116 WeakPolarHBondContact O-CB 3.41Å; E113-M116 PolarHBondContact O-N 2.85Å
114K88.5Confident91.8Very high169 Ų16990.7 Ų90.774%0.73543%0.431SS*.THydrogen-bonded Turntrans-67.2-20.8176.8-70.6179.7-179-178.80114.5R110 E112R110-K114 PolarHBondContact O-N 3.38Å; E112-K114 VanDerWaalsContact C-N 3.3Å; E112-K114 PolarHBondContact O-N 2.83Å
115K89.4Confident91.8Very high165 Ų16596.3 Ų96.372%0.71745%0.449SS*.THydrogen-bonded Turntrans-94.3-7.6177.5-67175.4-177.2179.30112R111 E112 E113R111-K115 WeakPolarHBondContact O-CG 3.27Å; R111-K115 PolarHBondContact O-N 2.65Å; E112-K115 CarbonylContact O-C 3.43Å; E112-K115 WeakPolarHBondContact O-CA 3.28Å; E112-K115 PolarHBondContact O-N 2.99Å; E113-K115 PolarHBondContact O-N 3.3Å
116M89.4Confident91.8Very high61 Ų6198 Ų9830%0.346%0.463SS..SBendtrans-62.9138.5179.7-73.6-159-68.300109.9F45 E112 E113F45-M116 HydrophobicContact CD1-CE 3.75Å; F45-M116 HydrophobicContact CD1-SD 3.68Å; F45-M116 HydrophobicContact CD2-SD 4.45Å; F45-M116 HydrophobicContact CE1-CE 3.5Å; F45-M116 HydrophobicContact CE1-SD 3.83Å; F45-M116 HydrophobicContact CG-SD 4.01Å; F45-M116 HydrophobicContact CZ-CE 4.23Å; F45-M116 HydrophobicContact CZ-SD 4.29Å; E112-M116 WeakPolarHBondContact O-CG 3.24Å; E112-M116 PolarHBondContact O-N 3.43Å; E112-M116 VanDerWaalsContact O-N 3.09Å; E113-M116 HydrophobicContact CB-CE 4.28Å; E113-M116 HydrophobicContact CG-CE 3.85Å; E113-M116 WeakPolarHBondContact O-CB 3.41Å; E113-M116 PolarHBondContact O-N 2.85Å
117P92.9Very high92.1Very high53 Ų5399.3 Ų99.334%0.34449%0.489SS..PPolyproline II helixtrans-59141.7173.5-22.633.1000111.5H11 E13H11-P117 CarbonylContact O-C 3.6Å; H11-P117 WeakPolarHBondContact O-CA 3.3Å; E13-P117 HydrophobicContact CB-CB 3.6Å; E13-P117 HydrophobicContact CB-CG 4.41Å
118W94.1Very high92.2Very high89 Ų89103.9 Ų103.934%0.33751%0.508SS..BIsolated β-bridgetrans-67.4132.2168-71.1110.7000110.2V8 H11 I12 E13 T122 L123V8-W118 HydrophobicContact CG2-CZ2 4.17Å; V8-W118 PolarHBondContact O-NE1 3.33Å; H11-W118 PolarHBondContact O-N 3.4Å; I12-W118 CarbonylContact C-O 3.57Å; I12-W118 WeakPolarHBondContact CA-O 3.25Å; I12-W118 HydrophobicContact CB-CB 4.47Å; I12-W118 HydrophobicContact CG1-CB 3.94Å; E13-W118 PolarHBondContact N-O 2.67Å; W118-T122 WeakPolarHBondContact CA-OG1 3.28Å; W118-T122 VanDerWaalsContact CZ3-O 3.32Å; W118-T122 WeakPolarHBondContact CZ3-O 3.5Å; W118-L123 HydrophobicContact CB-CD1 4.28Å; W118-L123 HydrophobicContact CB-CD2 3.62Å; W118-L123 HydrophobicContact CB-CG 3.77Å; W118-L123 HydrophobicContact CD2-CD2 3.92Å; W118-L123 HydrophobicContact CE3-CD2 3.85Å; W118-L123 HydrophobicContact CE3-CG 4.15Å; W118-L123 HydrophobicContact CG-CD2 3.85Å; W118-L123 HydrophobicContact CG-CG 4.4Å
119N93.4Very high92.3Very high9 Ų9103 Ų1035%0.04852%0.515CS..  trans-142.6179.6175.86154.2000109.2R38 D121 T122 L123R38-N119 PolarHBondContact NH1-ND2 2.95Å; R38-N119 PolarHBondContact NH1-OD1 3.15Å; R38-N119 VanDerWaalsContact NH1-OD1 3.15Å; N119-D121 PolarHBondContact O-N 3.07Å; N119-D121 WeakPolarHBondContact OD1-CA 3.32Å; N119-D121 WeakPolarHBondContact OD1-CB 3.4Å; N119-D121 PolarHBondContact OD1-N 2.78Å; N119-T122 PolarHBondContact N-OG1 3.37Å; N119-T122 PolarHBondContact O-N 3.06Å; N119-T122 VanDerWaalsContact O-N 3.07Å; N119-T122 PolarHBondContact O-OG1 3.23Å; N119-T122 PolarHBondContact OD1-N 3.08Å; N119-L123 VanDerWaalsContact O-CB 3.25Å; N119-L123 WeakPolarHBondContact O-CB 3.25Å; N119-L123 VanDerWaalsContact O-CG 3.28Å; N119-L123 WeakPolarHBondContact O-CG 3.45Å; N119-L123 PolarHBondContact O-N 3.01Å
120V92.7Very high92.5Very high109 Ų109109 Ų10966%0.66154%0.541SS*.Hα-helixtrans-55.2-28.2-177.2-62.10000114
121D92.6Very high92.7Very high94 Ų94108.6 Ų108.650%0.50356%0.556SS.*Hα-helixtrans-88.1-22-177.7-56.4-49.5000113R38 N119R38-D121 IonicContact CZ-OD2 2.71Å; R38-D121 IonicContact NH1-OD2 3.55Å; R38-D121 PolarHBondContact NH1-OD2 2.69Å; R38-D121 IonicContact NH2-OD2 3.86Å; R38-D121 PolarHBondContact NH2-OD2 3.45Å; N119-D121 PolarHBondContact O-N 3.07Å; N119-D121 WeakPolarHBondContact OD1-CA 3.32Å; N119-D121 WeakPolarHBondContact OD1-CB 3.4Å; N119-D121 PolarHBondContact OD1-N 2.78Å
122T91.7Very high92.7Very high57 Ų57107.6 Ų107.635%0.3556%0.561SS.*Hα-helixtrans-102.6-30.9-179.558.50000112.9W118 N119W118-T122 WeakPolarHBondContact CA-OG1 3.28Å; W118-T122 VanDerWaalsContact CZ3-O 3.32Å; W118-T122 WeakPolarHBondContact CZ3-O 3.5Å; N119-T122 PolarHBondContact N-OG1 3.37Å; N119-T122 PolarHBondContact O-N 3.06Å; N119-T122 VanDerWaalsContact O-N 3.07Å; N119-T122 PolarHBondContact O-OG1 3.23Å; N119-T122 PolarHBondContact OD1-N 3.08Å
123L92.9Very high92.8Very high77 Ų77108.8 Ų108.840%0.40358%0.575SS.*Hα-helixtrans-66.8-43.1-177.5-80.9167.1000113.2I12 W118 N119I12-L123 HydrophobicContact CG2-CD1 4.43Å; W118-L123 HydrophobicContact CB-CD1 4.28Å; W118-L123 HydrophobicContact CB-CD2 3.62Å; W118-L123 HydrophobicContact CB-CG 3.77Å; W118-L123 HydrophobicContact CD2-CD2 3.92Å; W118-L123 HydrophobicContact CE3-CD2 3.85Å; W118-L123 HydrophobicContact CE3-CG 4.15Å; W118-L123 HydrophobicContact CG-CD2 3.85Å; W118-L123 HydrophobicContact CG-CG 4.4Å; N119-L123 VanDerWaalsContact O-CB 3.25Å; N119-L123 WeakPolarHBondContact O-CB 3.25Å; N119-L123 VanDerWaalsContact O-CG 3.28Å; N119-L123 WeakPolarHBondContact O-CG 3.45Å; N119-L123 PolarHBondContact O-N 3.01Å
124S92.9Very high92.8Very high81 Ų81110.3 Ų110.357%0.56659%0.586SS**  trans-154.7172.4-173.672.50000111.8
125R92.8Very high92.7Very high231 Ų231108 Ų10887%0.87259%0.586SS**  trans-128.7157.7172.2-62.1-176.4179.9-171.1-1.1108.3G127R125-G127 PolarHBondContact O-N 2.88Å
126D94Very high92.1Very high129 Ų129107.5 Ų107.569%0.6958%0.584SS**  trans-63.6100.1172.5-173.27.1000109.8F128 S129D126-F128 PolarHBondContact OD1-N 3.33Å; D126-S129 WeakPolarHBondContact OD2-CB 3.4Å
127G95.2Very high91.6Very high78 Ų78109.9 Ų109.980%0.80460%0.604SS**  trans-83.6-31.9179.500000112.7R125R125-G127 PolarHBondContact O-N 2.88Å
128F95.4Very high90.4Very high166 Ų166116.9 Ų116.973%0.72863%0.632SS**  trans-161122.1-179.4-179.4-99.2000110.6D126 K130D126-F128 PolarHBondContact OD1-N 3.33Å; F128-K130 HydrophobicContact CD1-CB 4.48Å; F128-K130 HydrophobicContact CE1-CB 3.53Å; F128-K130 HydrophobicContact CE1-CD 4.45Å; F128-K130 HydrophobicContact CE2-CB 4.41Å; F128-K130 HydrophobicContact CZ-CB 3.5Å; F128-K130 HydrophobicContact CZ-CD 3.89Å; F128-K130 HydrophobicContact CZ-CG 4.32Å
129S95.4Very high89.2Confident97 Ų97118.7 Ų118.768%0.67865%0.653SS**  trans-127.7119174.6-177.30000110D126D126-S129 WeakPolarHBondContact OD2-CB 3.4Å
130K95.6Very high87.9Confident147 Ų147121 Ų12164%0.63968%0.679SS**  trans-139.4117.8176.7-178.7178.3179.9-179.40109.9F128 I132F128-K130 HydrophobicContact CD1-CB 4.48Å; F128-K130 HydrophobicContact CE1-CB 3.53Å; F128-K130 HydrophobicContact CE1-CD 4.45Å; F128-K130 HydrophobicContact CE2-CB 4.41Å; F128-K130 HydrophobicContact CZ-CB 3.5Å; F128-K130 HydrophobicContact CZ-CD 3.89Å; F128-K130 HydrophobicContact CZ-CG 4.32Å; K130-I132 HydrophobicContact CG-CG1 4.39Å
131S95.2Very high86.7Confident111 Ų111125.4 Ų125.478%0.77669%0.692SS**  trans-93.3144.2169.3590000110.6
132I92.5Very high85.9Confident136 Ų136124.8 Ų124.870%0.69769%0.686SS**  trans-131.7117.2172.1-58.4176.3000106.7K130K130-I132 HydrophobicContact CG-CG1 4.39Å
133V93.3Very high85.5Confident119 Ų119125.7 Ų125.772%0.72169%0.692SS**  trans-98.1121.9171.4-176.90000107.5V135V133-V135 HydrophobicContact CB-CG2 4.38Å; V133-V135 HydrophobicContact CG1-CG2 3.86Å; V133-V135 PolarHBondContact O-N 2.61Å
134N88.9Confident84.9Confident138 Ų138128.6 Ų128.674%0.73870%0.703SS**  trans-78.371.1178.9-171.314.1000110.8K136N134-K136 PolarHBondContact O-N 3.46Å
135V85.9Confident84.5Confident120 Ų120131.9 Ų131.973%0.72771%0.71SS**  trans-72.6108.4170.7-175.30000107.3V133V133-V135 HydrophobicContact CB-CG2 4.38Å; V133-V135 HydrophobicContact CG1-CG2 3.86Å; V133-V135 PolarHBondContact O-N 2.61Å
136K77.3Confident84Confident156 Ų156125.8 Ų125.868%0.67869%0.691SS**PPolyproline II helixtrans-67.7138.8-179.9-69.5-173.7177-177.80110N134N134-K136 PolarHBondContact O-N 3.46Å
137P78.3Confident83.5Confident110 Ų110123.6 Ų123.671%0.71468%0.675SS**PPolyproline II helixtrans-63.8148.9171.827.4-32.8000110.2V139P137-V139 PolarHBondContact O-N 2.84Å
138E67.4Low83Confident200 Ų200125 Ų12594%0.93566%0.661SS**PPolyproline II helixtrans-62118.3169.9-71.7-172.6161.400108.7G140E138-G140 PolarHBondContact O-N 2.91Å
139V69Low82.7Confident128 Ų128123.2 Ų123.278%0.77666%0.655SS**  trans-77.3112.3178.7-167.70000107P137P137-V139 PolarHBondContact O-N 2.84Å
140G66Low82.3Confident58 Ų58122.6 Ų122.660%0.59864%0.64SS**  trans-60.1156.6169.600000111.2E138 E142E138-G140 PolarHBondContact O-N 2.91Å; G140-E142 PolarHBondContact O-N 3.36Å; G140-E142 VanDerWaalsContact O-N 3.17Å
141Q67.9Low82Confident201 Ų201117.6 Ų117.694%0.93962%0.619SS**  trans-65.3115.7175.8-70.8179.4-11.100109.6
142E75.6Confident81.8Confident81 Ų81117.5 Ų117.538%0.37960%0.604SS.*  trans-60.7136.7172-68.1178.3171.400109.4G140 K147 K150G140-E142 PolarHBondContact O-N 3.36Å; G140-E142 VanDerWaalsContact O-N 3.17Å; E142-K147 HydrophobicContact CB-CG 4.21Å; E142-K147 WeakPolarHBondContact O-CE 3.4Å; E142-K150 VanDerWaalsContact CD-NZ 3.32Å; E142-K150 IonicContact OE1-NZ 3.35Å; E142-K150 PolarHBondContact OE1-NZ 3.22Å; E142-K150 IonicContact OE2-NZ 2.7Å; E142-K150 PolarHBondContact OE2-NZ 3.46Å
143T83.4Confident81.8Confident76 Ų76115 Ų11547%0.46660%0.596SS.*  trans-69.8158.3174.457.60000111.3E145 E146 K147T143-E145 VanDerWaalsContact C-N 3.29Å; T143-E145 PolarHBondContact O-N 2.97Å; T143-E146 PolarHBondContact N-OE2 3.48Å; T143-E146 PolarHBondContact O-N 3.11Å; T143-E146 WeakPolarHBondContact OG1-CG 3.29Å; T143-E146 PolarHBondContact OG1-OE2 3.26Å; T143-K147 WeakPolarHBondContact O-CG 3.24Å; T143-K147 PolarHBondContact O-N 2.99Å; T143-K147 VanDerWaalsContact O-N 3.09Å
144E81Confident81.9Confident137 Ų137110.5 Ų110.564%0.6457%0.566SS**Hα-helixtrans-62.6-34.9179.6-69.8-61.1128.500112.6K147 E148E144-K147 PolarHBondContact O-N 3.36Å; E144-K147 IonicContact OE1-NZ 2.7Å; E144-K147 PolarHBondContact OE1-NZ 2.88Å; E144-E148 PolarHBondContact O-N 3.46Å
145E83.4Confident82.1Confident151 Ų151105 Ų10571%0.70654%0.537SS*.Hα-helixtrans-64.7-40.6175.7-67.5-175.6173.300112.1T143 E148 Q149T143-E145 VanDerWaalsContact C-N 3.29Å; T143-E145 PolarHBondContact O-N 2.97Å; E145-E148 PolarHBondContact O-N 3.38Å; E145-Q149 WeakPolarHBondContact O-CG 3.47Å; E145-Q149 PolarHBondContact O-N 3.47Å
146E84.2Confident82.5Confident103 Ų103106.2 Ų106.248%0.48154%0.535SS..Hα-helixtrans-65.2-40.5176-73.1167.1152.400111.4T143 E148 Q149 K150T143-E146 PolarHBondContact N-OE2 3.48Å; T143-E146 PolarHBondContact O-N 3.11Å; T143-E146 WeakPolarHBondContact OG1-CG 3.29Å; T143-E146 PolarHBondContact OG1-OE2 3.26Å; E146-E148 VanDerWaalsContact C-N 3.35Å; E146-Q149 PolarHBondContact O-N 2.94Å; E146-K150 WeakPolarHBondContact O-CB 3.39Å; E146-K150 PolarHBondContact O-N 2.81Å
147K82.6Confident83.4Confident82 Ų82105.7 Ų105.736%0.35753%0.533SS..Hα-helixtrans-63-40.7174.9-68.5178.3-167.8167.30111.8E142 T143 E144 K150 H151E142-K147 HydrophobicContact CB-CG 4.21Å; E142-K147 WeakPolarHBondContact O-CE 3.4Å; T143-K147 WeakPolarHBondContact O-CG 3.24Å; T143-K147 PolarHBondContact O-N 2.99Å; T143-K147 VanDerWaalsContact O-N 3.09Å; E144-K147 PolarHBondContact O-N 3.36Å; E144-K147 IonicContact OE1-NZ 2.7Å; E144-K147 PolarHBondContact OE1-NZ 2.88Å; K147-K150 PolarHBondContact O-N 3.13Å; K147-H151 VanDerWaalsContact O-CB 3.3Å; K147-H151 WeakPolarHBondContact O-CB 3.44Å; K147-H151 PolarHBondContact O-N 3.35Å
148E84.9Confident84.3Confident107 Ų107102.6 Ų102.650%0.551%0.508SS..Hα-helixtrans-67-43.8178.2-169.1-178.915900111.8E144 E145 E146 H151 K152E144-E148 PolarHBondContact O-N 3.46Å; E145-E148 PolarHBondContact O-N 3.38Å; E146-E148 VanDerWaalsContact C-N 3.35Å; E148-H151 WeakPolarHBondContact O-CB 3.28Å; E148-H151 PolarHBondContact O-N 2.95Å; E148-K152 WeakPolarHBondContact O-CG 3.42Å; E148-K152 PolarHBondContact O-N 3.17Å; E148-K152 VanDerWaalsContact OE1-CE 3.22Å; E148-K152 WeakPolarHBondContact OE1-CE 3.19Å; E148-K152 IonicContact OE1-NZ 3.15Å; E148-K152 PolarHBondContact OE1-NZ 3.1Å
149Q88.4Confident85.6Confident130 Ų13096.6 Ų96.661%0.60748%0.479SS*.Hα-helixtrans-63.4-42.8175.9-71.5-178.511.100111.9E145 E146 H151 K152 T153E145-Q149 WeakPolarHBondContact O-CG 3.47Å; E145-Q149 PolarHBondContact O-N 3.47Å; E146-Q149 PolarHBondContact O-N 2.94Å; Q149-H151 VanDerWaalsContact C-N 3.32Å; Q149-H151 PolarHBondContact O-N 3.3Å; Q149-K152 PolarHBondContact O-N 3.04Å; Q149-T153 WeakPolarHBondContact O-CG2 3.41Å; Q149-T153 PolarHBondContact O-N 3.36Å; Q149-T153 PolarHBondContact O-OG1 3.37Å
150K87.5Confident86.9Confident83 Ų8399.2 Ų99.236%0.36148%0.48SS..Hα-helixtrans-60.3-42.8173.5179.8178.1172.4179.80111E142 E146 K147 T153 F154 E188E142-K150 VanDerWaalsContact CD-NZ 3.32Å; E142-K150 IonicContact OE1-NZ 3.35Å; E142-K150 PolarHBondContact OE1-NZ 3.22Å; E142-K150 IonicContact OE2-NZ 2.7Å; E142-K150 PolarHBondContact OE2-NZ 3.46Å; E146-K150 WeakPolarHBondContact O-CB 3.39Å; E146-K150 PolarHBondContact O-N 2.81Å; K147-K150 PolarHBondContact O-N 3.13Å; K150-T153 PolarHBondContact O-OG1 3.22Å; K150-F154 WeakPolarHBondContact O-CB 3.31Å; K150-F154 PolarHBondContact O-N 2.8Å; K150-E188 WeakPolarHBondContact CE-OE1 3.31Å
151H89.1Confident88.4Confident43 Ų4399 Ų9920%0.19946%0.464CS..Hα-helixtrans-60.3-50.8176.4-176.272.5000111.8K147 E148 Q149 F154 V155 E188K147-H151 VanDerWaalsContact O-CB 3.3Å; K147-H151 WeakPolarHBondContact O-CB 3.44Å; K147-H151 PolarHBondContact O-N 3.35Å; E148-H151 WeakPolarHBondContact O-CB 3.28Å; E148-H151 PolarHBondContact O-N 2.95Å; Q149-H151 VanDerWaalsContact C-N 3.32Å; Q149-H151 PolarHBondContact O-N 3.3Å; H151-F154 PolarHBondContact O-N 3.5Å; H151-V155 WeakPolarHBondContact O-CB 3.41Å; H151-V155 VanDerWaalsContact O-CG2 3.25Å; H151-V155 WeakPolarHBondContact O-CG2 3.35Å; H151-V155 PolarHBondContact O-N 3.04Å; H151-E188 HydrophobicContact CB-CG 4.13Å; H151-E188 PolarHBondContact CE1-O 3.22Å; H151-E188 WeakPolarHBondContact ND1-CB 3.36Å
152K90.6Very high89.8Confident109 Ų10989.5 Ų89.547%0.47442%0.419SS..Hα-helixtrans-57.5-54.2179.1-72.6176-176165.40111.5E148 Q149 F154 V155 E156E148-K152 WeakPolarHBondContact O-CG 3.42Å; E148-K152 PolarHBondContact O-N 3.17Å; E148-K152 VanDerWaalsContact OE1-CE 3.22Å; E148-K152 WeakPolarHBondContact OE1-CE 3.19Å; E148-K152 IonicContact OE1-NZ 3.15Å; E148-K152 PolarHBondContact OE1-NZ 3.1Å; Q149-K152 PolarHBondContact O-N 3.04Å; K152-F154 PolarHBondContact O-N 3.31Å; K152-V155 PolarHBondContact O-N 2.86Å; K152-E156 WeakPolarHBondContact O-CB 3.14Å; K152-E156 VanDerWaalsContact O-CG 3.28Å; K152-E156 WeakPolarHBondContact O-CG 3.37Å; K152-E156 PolarHBondContact O-N 2.87Å
153T93.6Very high90.8Very high84 Ų8489 Ų8952%0.51542%0.416SS..Hα-helixtrans-65.2-36.5-178.455.20000113Q149 K150 K157Q149-T153 WeakPolarHBondContact O-CG2 3.41Å; Q149-T153 PolarHBondContact O-N 3.36Å; Q149-T153 PolarHBondContact O-OG1 3.37Å; K150-T153 PolarHBondContact O-OG1 3.22Å; T153-K157 VanDerWaalsContact O-CB 3.27Å; T153-K157 WeakPolarHBondContact O-CB 3.28Å; T153-K157 PolarHBondContact O-N 3.49Å; T153-K157 VanDerWaalsContact O-N 3.1Å
154F94.3Very high91.5Very high24 Ų2489.3 Ų89.311%0.10541%0.412CS..Hα-helixtrans-66.9-47.9177.2179.1-90.1000111.7K150 H151 K152 K157 Y158 I162 Y183 L184 C186 E188 T189K150-F154 WeakPolarHBondContact O-CB 3.31Å; K150-F154 PolarHBondContact O-N 2.8Å; H151-F154 PolarHBondContact O-N 3.5Å; K152-F154 PolarHBondContact O-N 3.31Å; F154-K157 PolarHBondContact O-N 3.07Å; F154-Y158 HydrophobicContact CD1-CD2 4.42Å; F154-Y158 AromaticContact CD2-CD2 3.5Å; F154-Y158 HydrophobicContact CD2-CD2 3.5Å; F154-Y158 VanDerWaalsContact CD2-CD2 3.5Å; F154-Y158 AromaticContact CD2-CE2 3.68Å; F154-Y158 HydrophobicContact CD2-CE2 3.68Å; F154-Y158 HydrophobicContact CE1-CD2 4.38Å; F154-Y158 AromaticContact CE2-CD2 3.44Å; F154-Y158 HydrophobicContact CE2-CD2 3.44Å; F154-Y158 VanDerWaalsContact CE2-CD2 3.44Å; F154-Y158 AromaticContact CE2-CE2 3.7Å; F154-Y158 HydrophobicContact CE2-CE2 3.7Å; F154-Y158 HydrophobicContact CG-CD2 4Å; F154-Y158 AromaticContact CZ-CD2 3.91Å; F154-Y158 HydrophobicContact CZ-CD2 3.91Å; F154-Y158 WeakPolarHBondContact O-CD2 3.22Å; F154-Y158 PolarHBondContact O-N 3.14Å; F154-I162 HydrophobicContact CD1-CD1 4.29Å; F154-I162 HydrophobicContact CE1-CD1 3.86Å; F154-Y183 HydrophobicContact CE2-CD2 4.49Å; F154-Y183 WeakPolarHBondContact CZ-O 3.17Å; F154-L184 HydrophobicContact CZ-CD2 4.23Å; F154-C186 WeakPolarHBondContact CZ-SG 3.5Å; F154-E188 HydrophobicContact CD1-CB 3.72Å; F154-E188 HydrophobicContact CE1-CB 4.09Å; F154-E188 HydrophobicContact CG-CB 4.36Å; F154-T189 WeakPolarHBondContact CE1-OG1 3.24Å
155V93.8Very high92.3Very high21 Ų2182.8 Ų82.813%0.12738%0.381CS..Hα-helixtrans-62-48.3178.9167.80000110H151 K152 K157 Y158 E159 Y192H151-V155 WeakPolarHBondContact O-CB 3.41Å; H151-V155 VanDerWaalsContact O-CG2 3.25Å; H151-V155 WeakPolarHBondContact O-CG2 3.35Å; H151-V155 PolarHBondContact O-N 3.04Å; K152-V155 PolarHBondContact O-N 2.86Å; V155-K157 VanDerWaalsContact C-N 3.27Å; V155-K157 PolarHBondContact O-N 3.32Å; V155-Y158 PolarHBondContact O-N 2.76Å; V155-E159 VanDerWaalsContact O-CA 3.26Å; V155-E159 WeakPolarHBondContact O-CA 3.48Å; V155-E159 VanDerWaalsContact O-CB 3.24Å; V155-E159 WeakPolarHBondContact O-CB 3.44Å; V155-E159 PolarHBondContact O-N 3.02Å; V155-Y192 HydrophobicContact CB-CD2 4.26Å; V155-Y192 HydrophobicContact CG1-CD2 3.26Å; V155-Y192 HydrophobicContact CG1-CE2 3.38Å; V155-Y192 HydrophobicContact CG1-CG 4.2Å; V155-Y192 HydrophobicContact CG2-CD2 3.93Å; V155-Y192 HydrophobicContact CG2-CG 4.31Å
156E93.9Very high93Very high146 Ų14675.6 Ų75.668%0.68235%0.348SS*.Hα-helixtrans-57.2-40.8177.5-74.3170.8-175.300112.3K152K152-E156 WeakPolarHBondContact O-CB 3.14Å; K152-E156 VanDerWaalsContact O-CG 3.28Å; K152-E156 WeakPolarHBondContact O-CG 3.37Å; K152-E156 PolarHBondContact O-N 2.87Å
157K96.6Very high93.5Very high146 Ų14675.3 Ų75.364%0.63535%0.348SS*.Hα-helixtrans-73.1-39.5-177.8-172.5176.2179.2-169.10113T153 F154 V155T153-K157 VanDerWaalsContact O-CB 3.27Å; T153-K157 WeakPolarHBondContact O-CB 3.28Å; T153-K157 PolarHBondContact O-N 3.49Å; T153-K157 VanDerWaalsContact O-N 3.1Å; F154-K157 PolarHBondContact O-N 3.07Å; V155-K157 VanDerWaalsContact C-N 3.27Å; V155-K157 PolarHBondContact O-N 3.32Å
158Y96.5Very high94.2Very high45 Ų4572.7 Ų72.718%0.17634%0.338CS..Hα-helixtrans-114.811.3-169.3-56.4-60.2000114F154 V155 K160 Q161 I162 Y183 L184F154-Y158 HydrophobicContact CD1-CD2 4.42Å; F154-Y158 AromaticContact CD2-CD2 3.5Å; F154-Y158 HydrophobicContact CD2-CD2 3.5Å; F154-Y158 VanDerWaalsContact CD2-CD2 3.5Å; F154-Y158 AromaticContact CD2-CE2 3.68Å; F154-Y158 HydrophobicContact CD2-CE2 3.68Å; F154-Y158 HydrophobicContact CE1-CD2 4.38Å; F154-Y158 AromaticContact CE2-CD2 3.44Å; F154-Y158 HydrophobicContact CE2-CD2 3.44Å; F154-Y158 VanDerWaalsContact CE2-CD2 3.44Å; F154-Y158 AromaticContact CE2-CE2 3.7Å; F154-Y158 HydrophobicContact CE2-CE2 3.7Å; F154-Y158 HydrophobicContact CG-CD2 4Å; F154-Y158 AromaticContact CZ-CD2 3.91Å; F154-Y158 HydrophobicContact CZ-CD2 3.91Å; F154-Y158 WeakPolarHBondContact O-CD2 3.22Å; F154-Y158 PolarHBondContact O-N 3.14Å; V155-Y158 PolarHBondContact O-N 2.76Å; Y158-K160 VanDerWaalsContact C-N 3.3Å; Y158-K160 PolarHBondContact O-N 2.9Å; Y158-K160 VanDerWaalsContact O-N 3.15Å; Y158-Q161 WeakPolarHBondContact O-CA 3.24Å; Y158-Q161 WeakPolarHBondContact O-CB 3.1Å; Y158-Q161 PolarHBondContact O-N 3.5Å; Y158-I162 WeakPolarHBondContact O-CG1 3.36Å; Y158-I162 PolarHBondContact O-N 2.75Å; Y158-Y183 HydrophobicContact CD1-CD2 4.05Å; Y158-Y183 AromaticContact CD1-CE2 3.39Å; Y158-Y183 HydrophobicContact CD1-CE2 3.39Å; Y158-Y183 HydrophobicContact CD2-CD2 4.08Å; Y158-Y183 HydrophobicContact CD2-CE2 4.23Å; Y158-Y183 AromaticContact CE1-CD2 3.89Å; Y158-Y183 HydrophobicContact CE1-CD2 3.89Å; Y158-Y183 AromaticContact CE1-CE2 3.41Å; Y158-Y183 HydrophobicContact CE1-CE2 3.41Å; Y158-Y183 VanDerWaalsContact CE1-CE2 3.41Å; Y158-Y183 AromaticContact CE1-CZ 4Å; Y158-Y183 AromaticContact CE2-CD2 3.91Å; Y158-Y183 HydrophobicContact CE2-CD2 3.91Å; Y158-Y183 HydrophobicContact CE2-CE2 4.23Å; Y158-Y183 HydrophobicContact CG-CD2 4.13Å; Y158-Y183 AromaticContact CG-CE2 3.81Å; Y158-Y183 HydrophobicContact CG-CE2 3.81Å; Y158-Y183 AromaticContact CZ-CD2 3.8Å; Y158-Y183 AromaticContact CZ-CE2 3.84Å; Y158-L184 HydrophobicContact CG-CD2 4.47Å
159E95.7Very high94.7Very high73 Ų7373 Ų7334%0.34133%0.334SS..Hα-helixtrans-45.9-51.4-176.7-163.9-169.7166.500112.8V155 Q161 I162 K163 Y192V155-E159 VanDerWaalsContact O-CA 3.26Å; V155-E159 WeakPolarHBondContact O-CA 3.48Å; V155-E159 VanDerWaalsContact O-CB 3.24Å; V155-E159 WeakPolarHBondContact O-CB 3.44Å; V155-E159 PolarHBondContact O-N 3.02Å; E159-Q161 VanDerWaalsContact C-N 3.26Å; E159-Q161 PolarHBondContact O-N 3.03Å; E159-I162 PolarHBondContact O-N 3.35Å; E159-K163 WeakPolarHBondContact O-CG 3.3Å; E159-K163 PolarHBondContact O-N 2.87Å; E159-K163 WeakPolarHBondContact OE1-CE 3.44Å; E159-K163 IonicContact OE1-NZ 2.97Å; E159-K163 PolarHBondContact OE1-NZ 3.35Å; E159-Y192 HydrophobicContact CG-CE1 4.47Å; E159-Y192 HydrophobicContact CG-CE2 4.35Å; E159-Y192 WeakPolarHBondContact CG-OH 3.26Å; E159-Y192 PolarHBondContact OE1-OH 3.42Å; E159-Y192 VanDerWaalsContact OE1-OH 3.08Å
160K97.1Very high95Very high183 Ų18374.3 Ų74.380%0.79633%0.334SS*.Hα-helixtrans-61.6-35.9-178.1-65.9-176.3-179.4179.50112.5Y158 H164Y158-K160 VanDerWaalsContact C-N 3.3Å; Y158-K160 PolarHBondContact O-N 2.9Å; Y158-K160 VanDerWaalsContact O-N 3.15Å; K160-H164 WeakPolarHBondContact O-CB 3.41Å; K160-H164 PolarHBondContact O-N 3.07Å
161Q97.4Very high95.4Very high55 Ų5573.7 Ų73.726%0.25733%0.329SS..Hα-helixtrans-78.5-37.1-178.7-63.9172.9-19.500111.5Y158 E159 H164 F165 Y177 Y183 L184Y158-Q161 WeakPolarHBondContact O-CA 3.24Å; Y158-Q161 WeakPolarHBondContact O-CB 3.1Å; Y158-Q161 PolarHBondContact O-N 3.5Å; E159-Q161 VanDerWaalsContact C-N 3.26Å; E159-Q161 PolarHBondContact O-N 3.03Å; Q161-H164 PolarHBondContact O-N 3.38Å; Q161-F165 PolarHBondContact O-N 3.04Å; Q161-Y177 VanDerWaalsContact CA-OH 3.22Å; Q161-Y177 WeakPolarHBondContact CA-OH 3.47Å; Q161-Y177 VanDerWaalsContact CB-OH 3.28Å; Q161-Y177 WeakPolarHBondContact CB-OH 3.43Å; Q161-Y177 WeakPolarHBondContact O-CE1 3.36Å; Q161-Y177 PolarHBondContact O-OH 3.42Å; Q161-Y183 PolarHBondContact NE2-OH 3.14Å; Q161-Y183 PolarHBondContact OE1-OH 3.21Å; Q161-L184 HydrophobicContact CB-CD1 3.96Å; Q161-L184 HydrophobicContact CB-CD2 4.23Å
162I97.2Very high95.7Very high0 Ų075.6 Ų75.60%034%0.341CS..Hα-helixtrans-61.1-48.6171.9-61.7167.8000109.7F154 Y158 E159 H164 F165 G166 L184 T189 Y192 L193F154-I162 HydrophobicContact CD1-CD1 4.29Å; F154-I162 HydrophobicContact CE1-CD1 3.86Å; Y158-I162 WeakPolarHBondContact O-CG1 3.36Å; Y158-I162 PolarHBondContact O-N 2.75Å; E159-I162 PolarHBondContact O-N 3.35Å; I162-H164 VanDerWaalsContact C-N 3.32Å; I162-H164 PolarHBondContact O-N 3.18Å; I162-F165 PolarHBondContact O-N 2.87Å; I162-G166 PolarHBondContact O-N 2.86Å; I162-L184 HydrophobicContact CG1-CD2 3.9Å; I162-T189 HydrophobicContact CG1-CG2 4.14Å; I162-T189 HydrophobicContact CG2-CG2 3.89Å; I162-Y192 HydrophobicContact CB-CD1 4.18Å; I162-Y192 HydrophobicContact CG2-CD1 3.38Å; I162-Y192 HydrophobicContact CG2-CE1 4.04Å; I162-Y192 HydrophobicContact CG2-CG 4.21Å; I162-L193 HydrophobicContact CG2-CD2 3.71Å; I162-L193 HydrophobicContact CG2-CG 3.86Å
163K96.5Very high96Very high70 Ų7073.7 Ų73.730%0.30434%0.336SS..Hα-helixtrans-58.4-43.8174.7-71-175.1-174.6175.20111.7E159 F165 G166 M167 Y192 M196E159-K163 WeakPolarHBondContact O-CG 3.3Å; E159-K163 PolarHBondContact O-N 2.87Å; E159-K163 WeakPolarHBondContact OE1-CE 3.44Å; E159-K163 IonicContact OE1-NZ 2.97Å; E159-K163 PolarHBondContact OE1-NZ 3.35Å; K163-F165 PolarHBondContact O-N 3.16Å; K163-G166 PolarHBondContact O-N 3.1Å; K163-M167 WeakPolarHBondContact O-CE 3.32Å; K163-M167 WeakPolarHBondContact O-CG 3.46Å; K163-M167 PolarHBondContact O-N 3.41Å; K163-M167 VanDerWaalsContact O-N 3.1Å; K163-Y192 WeakPolarHBondContact CE-OH 3.36Å; K163-Y192 HydrophobicContact CG-CE1 4.15Å; K163-M196 HydrophobicContact CD-CE 4.45Å; K163-M196 HydrophobicContact CG-CE 4.06Å; K163-M196 HydrophobicContact CG-SD 3.93Å
164H97.7Very high96.1Very high83 Ų8369.7 Ų69.738%0.38431%0.311SS..Hα-helixtrans-59.2-47.5177.3-174.587000111.8K160 Q161 I162 G166 M167 L168 Y177K160-H164 WeakPolarHBondContact O-CB 3.41Å; K160-H164 PolarHBondContact O-N 3.07Å; Q161-H164 PolarHBondContact O-N 3.38Å; I162-H164 VanDerWaalsContact C-N 3.32Å; I162-H164 PolarHBondContact O-N 3.18Å; H164-G166 VanDerWaalsContact C-N 3.31Å; H164-G166 PolarHBondContact O-N 3.34Å; H164-M167 PolarHBondContact O-N 2.96Å; H164-M167 VanDerWaalsContact O-N 3.14Å; H164-L168 PolarHBondContact O-N 3.22Å; H164-Y177 AromaticContact CD2-CD2 3.56Å; H164-Y177 AromaticContact CD2-CE1 3.93Å; H164-Y177 AromaticContact CD2-CE2 3.14Å; H164-Y177 WeakPolarHBondContact CD2-CE2 3.25Å; H164-Y177 AromaticContact CD2-CZ 3.34Å; H164-Y177 AromaticContact CG-CZ 3.95Å; H164-Y177 AromaticContact NE2-CD2 3.86Å; H164-Y177 AromaticContact NE2-CE2 3.7Å
165F97.9Very high96.3Very high0 Ų070.7 Ų70.70%032%0.316CS..Hα-helixtrans-57.4-45.1174.1173.6-103.5000111.5Q161 I162 K163 M167 L168 Y177 L178 L193 Q215 V218 M219Q161-F165 PolarHBondContact O-N 3.04Å; I162-F165 PolarHBondContact O-N 2.87Å; K163-F165 PolarHBondContact O-N 3.16Å; F165-M167 PolarHBondContact O-N 2.82Å; F165-L168 HydrophobicContact CD2-CD1 4.44Å; F165-L168 WeakPolarHBondContact O-CB 3.41Å; F165-L168 PolarHBondContact O-N 2.94Å; F165-Y177 HydrophobicContact CB-CD1 3.88Å; F165-Y177 HydrophobicContact CB-CE1 3.83Å; F165-Y177 HydrophobicContact CD2-CD1 4.17Å; F165-L178 HydrophobicContact CD2-CD1 4.38Å; F165-L178 HydrophobicContact CD2-CD2 3.76Å; F165-L178 HydrophobicContact CD2-CG 3.95Å; F165-L178 HydrophobicContact CE2-CD1 3.6Å; F165-L178 HydrophobicContact CE2-CD2 3.8Å; F165-L178 HydrophobicContact CE2-CG 3.66Å; F165-L178 HydrophobicContact CG-CD2 4.34Å; F165-L178 HydrophobicContact CZ-CD1 4.03Å; F165-L178 HydrophobicContact CZ-CD2 4.41Å; F165-L178 HydrophobicContact CZ-CG 4.46Å; F165-L193 HydrophobicContact CD1-CD1 3.91Å; F165-L193 HydrophobicContact CE1-CD1 4.01Å; F165-Q215 HydrophobicContact CD1-CB 4.3Å; F165-Q215 HydrophobicContact CE1-CB 3.92Å; F165-Q215 HydrophobicContact CZ-CB 4.34Å; F165-Q215 VanDerWaalsContact O-CG 3.31Å; F165-Q215 WeakPolarHBondContact O-CG 3.37Å; F165-V218 HydrophobicContact CZ-CG1 4.13Å; F165-M219 HydrophobicContact CD1-CE 4.36Å; F165-M219 HydrophobicContact CE1-CB 4.31Å; F165-M219 HydrophobicContact CE1-CE 3.81Å; F165-M219 HydrophobicContact CZ-CE 4.01Å
166G96.8Very high96.5Very high0 Ų076.3 Ų76.30%034%0.339CS..Hα-helixtrans-57.7-27.1177.100000114.6I162 K163 H164 V212I162-G166 PolarHBondContact O-N 2.86Å; K163-G166 PolarHBondContact O-N 3.1Å; H164-G166 VanDerWaalsContact C-N 3.31Å; H164-G166 PolarHBondContact O-N 3.34Å; G166-V212 WeakPolarHBondContact O-CA 3.29Å
167M96.3Very high96.6Very high97 Ų9771 Ų7148%0.47831%0.313SS..Hα-helixtrans-87.4-9.4179.3-67.4-178-6900113.8K163 H164 F165 L208 Q211K163-M167 WeakPolarHBondContact O-CE 3.32Å; K163-M167 WeakPolarHBondContact O-CG 3.46Å; K163-M167 PolarHBondContact O-N 3.41Å; K163-M167 VanDerWaalsContact O-N 3.1Å; H164-M167 PolarHBondContact O-N 2.96Å; H164-M167 VanDerWaalsContact O-N 3.14Å; F165-M167 PolarHBondContact O-N 2.82Å; M167-L208 HydrophobicContact CG-CD1 4.41Å; M167-Q211 PolarHBondContact O-NE2 3.09Å
168L96.9Very high96.7Very high28 Ų2864 Ų6415%0.14728%0.283CS..  trans-73.5159.9177.9-61.5176.7000111.5H164 F165 D173 Y177 Q211 Q215H164-L168 PolarHBondContact O-N 3.22Å; F165-L168 HydrophobicContact CD2-CD1 4.44Å; F165-L168 WeakPolarHBondContact O-CB 3.41Å; F165-L168 PolarHBondContact O-N 2.94Å; L168-D173 HydrophobicContact CD2-CB 4.36Å; L168-Y177 HydrophobicContact CD1-CD1 4.22Å; L168-Y177 HydrophobicContact CD1-CG 3.89Å; L168-Q211 PolarHBondContact O-NE2 2.75Å; L168-Q211 VanDerWaalsContact O-NE2 3.14Å; L168-Q215 VanDerWaalsContact C-NE2 3.34Å; L168-Q215 WeakPolarHBondContact O-CG 3.11Å; L168-Q215 PolarHBondContact O-NE2 3.5Å
169R94.4Very high96.7Very high112 Ų11263.5 Ų63.542%0.42329%0.285SS..  trans-130.9-50172.3-170.164.5-178.1-159.55.2112.9W171 H214R169-W171 PolarHBondContact O-N 2.9Å; R169-H214 PolarHBondContact NH1-CD2 3.23Å; R169-H214 PolarHBondContact NH2-CD2 2.93Å
170R95.7Very high96.8Very high159 Ų15965 Ų6560%0.630%0.295SS*.SBendtrans-65.9135.1-172.1-63-178.364.1-175.8-2.5109.8D172 D173 S174R170-D172 VanDerWaalsContact C-N 3.26Å; R170-D172 PolarHBondContact O-N 2.96Å; R170-D173 HydrophobicContact CB-CB 4.23Å; R170-D173 WeakPolarHBondContact CB-OD2 3.46Å; R170-D173 WeakPolarHBondContact CD-OD2 3.5Å; R170-D173 PolarHBondContact O-N 2.94Å; R170-D173 VanDerWaalsContact O-N 3.11Å; R170-S174 PolarHBondContact O-N 3.41Å; R170-S174 PolarHBondContact O-OG 3.29Å
171W94.8Very high96.7Very high69 Ų6957.3 Ų57.326%0.26126%0.263SS..Hα-helixtrans-56.5-40.1-179.2-57125.2000113.1R169 Q175 H214 V218 F240 F241 I244 K245 F255R169-W171 PolarHBondContact O-N 2.9Å; W171-Q175 WeakPolarHBondContact O-CB 3.5Å; W171-Q175 PolarHBondContact O-N 3.29Å; W171-H214 AromaticContact CH2-CE1 3.41Å; W171-H214 VanDerWaalsContact CH2-CE1 3.41Å; W171-H214 WeakPolarHBondContact CH2-CE1 3.41Å; W171-H214 AromaticContact CH2-NE2 3.36Å; W171-H214 WeakPolarHBondContact CH2-NE2 3.38Å; W171-H214 AromaticContact CZ2-NE2 3.77Å; W171-H214 AromaticContact CZ3-CE1 3.68Å; W171-V218 HydrophobicContact CH2-CG2 4.06Å; W171-V218 HydrophobicContact CZ3-CG2 3.5Å; W171-F240 HydrophobicContact CZ3-CE1 4.42Å; W171-F241 HydrophobicContact CB-CD1 4.34Å; W171-F241 HydrophobicContact CE3-CD1 4.05Å; W171-F241 AromaticContact CE3-CE1 3.95Å; W171-F241 HydrophobicContact CE3-CE1 3.95Å; W171-I244 HydrophobicContact CD2-CG2 4.14Å; W171-I244 HydrophobicContact CE3-CG2 4.17Å; W171-I244 HydrophobicContact CH2-CG1 4.14Å; W171-I244 HydrophobicContact CZ2-CG1 4.02Å; W171-I244 HydrophobicContact CZ3-CG2 4.47Å; W171-K245 VanDerWaalsContact CB-CE 3.46Å; W171-K245 HydrophobicContact CB-CG 4.3Å; W171-F255 HydrophobicContact CH2-CE1 4.05Å; W171-F255 AromaticContact CH2-CZ 3.93Å; W171-F255 HydrophobicContact CH2-CZ 3.93Å
172D95.4Very high96.7Very high84 Ų8457 Ų5745%0.44927%0.266SS..Hα-helixtrans-65.3-41.6178.3-61.8-40.1000112.2R170 Q175 K176 K245R170-D172 VanDerWaalsContact C-N 3.26Å; R170-D172 PolarHBondContact O-N 2.96Å; D172-Q175 PolarHBondContact O-N 2.91Å; D172-K176 VanDerWaalsContact O-CB 3.24Å; D172-K176 WeakPolarHBondContact O-CB 3.4Å; D172-K176 PolarHBondContact O-N 3.17Å; D172-K245 VanDerWaalsContact OD1-CE 3.29Å; D172-K245 WeakPolarHBondContact OD1-CE 3.47Å; D172-K245 IonicContact OD1-NZ 3.22Å; D172-K245 PolarHBondContact OD1-NZ 3.28Å
173D97.1Very high96.6Very high69 Ų6959.9 Ų59.937%0.36928%0.277SS..Hα-helixtrans-69.1-46.3-179.3-60.9-21.5000110.3L168 R170 Q175 K176 Y177L168-D173 HydrophobicContact CD2-CB 4.36Å; R170-D173 HydrophobicContact CB-CB 4.23Å; R170-D173 WeakPolarHBondContact CB-OD2 3.46Å; R170-D173 WeakPolarHBondContact CD-OD2 3.5Å; R170-D173 PolarHBondContact O-N 2.94Å; R170-D173 VanDerWaalsContact O-N 3.11Å; D173-Q175 PolarHBondContact O-N 2.79Å; D173-K176 PolarHBondContact O-N 3.1Å; D173-Y177 VanDerWaalsContact O-CB 3.26Å; D173-Y177 WeakPolarHBondContact O-CB 3.31Å; D173-Y177 PolarHBondContact O-N 3.48Å
174S97.2Very high96.6Very high0 Ų056.6 Ų56.60%026%0.263CS..Hα-helixtrans-60.4-43.8175-66.10000111.7R170 Y177 L178 Q215R170-S174 PolarHBondContact O-N 3.41Å; R170-S174 PolarHBondContact O-OG 3.29Å; S174-Y177 PolarHBondContact O-N 3.25Å; S174-L178 WeakPolarHBondContact O-CG 3.46Å; S174-L178 PolarHBondContact O-N 3.11Å; S174-Q215 PolarHBondContact OG-NE2 2.89Å; S174-Q215 PolarHBondContact OG-OE1 2.91Å
175Q97.1Very high96.5Very high45 Ų4552.7 Ų52.721%0.2125%0.245CC..Hα-helixtrans-65.9-41.7178.7-176.1-180-11.500112.3W171 D172 D173 S179 F241W171-Q175 WeakPolarHBondContact O-CB 3.5Å; W171-Q175 PolarHBondContact O-N 3.29Å; D172-Q175 PolarHBondContact O-N 2.91Å; D173-Q175 PolarHBondContact O-N 2.79Å; Q175-S179 WeakPolarHBondContact O-CB 3.46Å; Q175-S179 PolarHBondContact O-N 3.16Å; Q175-S179 PolarHBondContact O-OG 3.15Å; Q175-F241 HydrophobicContact CB-CB 4.17Å; Q175-F241 HydrophobicContact CB-CD1 4.05Å; Q175-F241 HydrophobicContact CB-CD2 3.74Å; Q175-F241 HydrophobicContact CB-CE1 4.39Å; Q175-F241 HydrophobicContact CB-CE2 4.12Å; Q175-F241 HydrophobicContact CB-CG 3.71Å; Q175-F241 HydrophobicContact CB-CZ 4.42Å; Q175-F241 HydrophobicContact CG-CB 4.08Å; Q175-F241 HydrophobicContact CG-CD2 3.8Å; Q175-F241 HydrophobicContact CG-CE2 4.48Å; Q175-F241 HydrophobicContact CG-CG 3.98Å; Q175-F241 VanDerWaalsContact OE1-CB 3.3Å
176K97.5Very high96.4Very high139 Ų13953.2 Ų53.260%0.60425%0.249SC*.Hα-helixtrans-64.9-47.2176.2-179.3175.1178173.90110.5D172 D173 L178 S179 D180D172-K176 VanDerWaalsContact O-CB 3.24Å; D172-K176 WeakPolarHBondContact O-CB 3.4Å; D172-K176 PolarHBondContact O-N 3.17Å; D173-K176 PolarHBondContact O-N 3.1Å; K176-L178 PolarHBondContact O-N 3.18Å; K176-S179 CarbonylContact O-C 3.23Å; K176-S179 WeakPolarHBondContact O-CA 3.45Å; K176-S179 VanDerWaalsContact O-CB 3.28Å; K176-S179 WeakPolarHBondContact O-CB 3.4Å; K176-S179 PolarHBondContact O-N 2.93Å; K176-D180 PolarHBondContact O-N 3.24Å
177Y97.9Very high96.3Very high34 Ų3457.6 Ų57.613%0.13327%0.269CS..Hα-helixtrans-61.1-42.2-179-168.8-102.9000112.9Q161 H164 F165 L168 D173 S174 S179 D180 N181 L184Q161-Y177 VanDerWaalsContact CA-OH 3.22Å; Q161-Y177 WeakPolarHBondContact CA-OH 3.47Å; Q161-Y177 VanDerWaalsContact CB-OH 3.28Å; Q161-Y177 WeakPolarHBondContact CB-OH 3.43Å; Q161-Y177 WeakPolarHBondContact O-CE1 3.36Å; Q161-Y177 PolarHBondContact O-OH 3.42Å; H164-Y177 AromaticContact CD2-CD2 3.56Å; H164-Y177 AromaticContact CD2-CE1 3.93Å; H164-Y177 AromaticContact CD2-CE2 3.14Å; H164-Y177 WeakPolarHBondContact CD2-CE2 3.25Å; H164-Y177 AromaticContact CD2-CZ 3.34Å; H164-Y177 AromaticContact CG-CZ 3.95Å; H164-Y177 AromaticContact NE2-CD2 3.86Å; H164-Y177 AromaticContact NE2-CE2 3.7Å; F165-Y177 HydrophobicContact CB-CD1 3.88Å; F165-Y177 HydrophobicContact CB-CE1 3.83Å; F165-Y177 HydrophobicContact CD2-CD1 4.17Å; L168-Y177 HydrophobicContact CD1-CD1 4.22Å; L168-Y177 HydrophobicContact CD1-CG 3.89Å; D173-Y177 VanDerWaalsContact O-CB 3.26Å; D173-Y177 WeakPolarHBondContact O-CB 3.31Å; D173-Y177 PolarHBondContact O-N 3.48Å; S174-Y177 PolarHBondContact O-N 3.25Å; Y177-S179 VanDerWaalsContact C-N 3.3Å; Y177-S179 PolarHBondContact O-N 3.26Å; Y177-D180 PolarHBondContact O-N 3.34Å; Y177-N181 WeakPolarHBondContact O-CB 3.35Å; Y177-N181 PolarHBondContact O-N 3.44Å; Y177-N181 PolarHBondContact O-ND2 3.41Å; Y177-L184 HydrophobicContact CD1-CD1 4.32Å; Y177-L184 HydrophobicContact CE1-CD1 3.63Å
178L97.4Very high96.2Very high0 Ų054.2 Ų54.20%025%0.252CS..Hα-helixtrans-71.3-23.9173.6-66.5179.7000112.9F165 S174 K176 N181 P182 L184 V185 M219 I222 F237 F241F165-L178 HydrophobicContact CD2-CD1 4.38Å; F165-L178 HydrophobicContact CD2-CD2 3.76Å; F165-L178 HydrophobicContact CD2-CG 3.95Å; F165-L178 HydrophobicContact CE2-CD1 3.6Å; F165-L178 HydrophobicContact CE2-CD2 3.8Å; F165-L178 HydrophobicContact CE2-CG 3.66Å; F165-L178 HydrophobicContact CG-CD2 4.34Å; F165-L178 HydrophobicContact CZ-CD1 4.03Å; F165-L178 HydrophobicContact CZ-CD2 4.41Å; F165-L178 HydrophobicContact CZ-CG 4.46Å; S174-L178 WeakPolarHBondContact O-CG 3.46Å; S174-L178 PolarHBondContact O-N 3.11Å; K176-L178 PolarHBondContact O-N 3.18Å; L178-N181 CarbonylContact O-C 3.57Å; L178-N181 VanDerWaalsContact O-C 3.23Å; L178-P182 VanDerWaalsContact O-CA 3.24Å; L178-P182 WeakPolarHBondContact O-CA 3.5Å; L178-P182 VanDerWaalsContact O-N 3.14Å; L178-L184 HydrophobicContact CD2-CB 4.1Å; L178-V185 HydrophobicContact CB-CG2 4.12Å; L178-V185 HydrophobicContact CD1-CG2 4.17Å; L178-V185 HydrophobicContact CD2-CG2 3.95Å; L178-V185 HydrophobicContact CG-CG2 4.3Å; L178-M219 HydrophobicContact CD1-CE 4.28Å; L178-M219 HydrophobicContact CD2-CE 3.93Å; L178-I222 HydrophobicContact CD1-CD1 3.91Å; L178-F237 HydrophobicContact CB-CD2 3.95Å; L178-F237 HydrophobicContact CB-CE2 3.67Å; L178-F237 HydrophobicContact CB-CZ 4.31Å; L178-F237 HydrophobicContact CD1-CD2 4.29Å; L178-F241 HydrophobicContact CD1-CE2 3.92Å; L178-F241 HydrophobicContact CD1-CZ 4.05Å
179S96.8Very high96.1Very high33 Ų3352.9 Ų52.923%0.23125%0.245CC..Hα-helixtrans-71.4-39171.3-64.50000112.1Q175 K176 Y177 N181 P182 R238Q175-S179 WeakPolarHBondContact O-CB 3.46Å; Q175-S179 PolarHBondContact O-N 3.16Å; Q175-S179 PolarHBondContact O-OG 3.15Å; K176-S179 CarbonylContact O-C 3.23Å; K176-S179 WeakPolarHBondContact O-CA 3.45Å; K176-S179 VanDerWaalsContact O-CB 3.28Å; K176-S179 WeakPolarHBondContact O-CB 3.4Å; K176-S179 PolarHBondContact O-N 2.93Å; Y177-S179 VanDerWaalsContact C-N 3.3Å; Y177-S179 PolarHBondContact O-N 3.26Å; S179-N181 VanDerWaalsContact C-N 3.32Å; S179-P182 WeakPolarHBondContact O-CD 3.12Å; S179-P182 WeakPolarHBondContact O-CG 3.18Å; S179-R238 PolarHBondContact OG-NE 3.38Å; S179-R238 PolarHBondContact OG-NH2 3.33Å; S179-R238 VanDerWaalsContact OG-NH2 3.13Å
180D97.2Very high96.2Very high104 Ų10447.7 Ų47.756%0.55623%0.226SC*.Hα-helixtrans-74-28.1175.6-62.3-19.3000111.2K176 Y177K176-D180 PolarHBondContact O-N 3.24Å; Y177-D180 PolarHBondContact O-N 3.34Å
181N96.7Very high96.2Very high22 Ų2244.2 Ų44.212%0.11822%0.22CC..  trans-127.766.6-179.6-53.7-79.5000113Y177 L178 S179 Y183 L184Y177-N181 WeakPolarHBondContact O-CB 3.35Å; Y177-N181 PolarHBondContact O-N 3.44Å; Y177-N181 PolarHBondContact O-ND2 3.41Å; L178-N181 CarbonylContact O-C 3.57Å; L178-N181 VanDerWaalsContact O-C 3.23Å; S179-N181 VanDerWaalsContact C-N 3.32Å; N181-Y183 HydrophobicContact CB-CE1 3.97Å; N181-Y183 HydrophobicContact CB-CE2 4.42Å; N181-Y183 PolarHBondContact O-N 3.19Å; N181-Y183 VanDerWaalsContact O-N 3.15Å; N181-Y183 PolarHBondContact OD1-OH 3.02Å; N181-L184 HydrophobicContact CB-CD1 3.6Å; N181-L184 HydrophobicContact CB-CG 3.92Å; N181-L184 WeakPolarHBondContact O-CB 3.42Å; N181-L184 PolarHBondContact O-N 3.46Å; N181-L184 VanDerWaalsContact O-N 3.16Å
182P95.9Very high96.2Very high48 Ų4842.4 Ų42.431%0.31221%0.213SC..G310 helixtrans-63.7-25.1-174.2-23.734.9000114.5L178 S179 L184 V185 R234L178-P182 VanDerWaalsContact O-CA 3.24Å; L178-P182 WeakPolarHBondContact O-CA 3.5Å; L178-P182 VanDerWaalsContact O-N 3.14Å; S179-P182 WeakPolarHBondContact O-CD 3.12Å; S179-P182 WeakPolarHBondContact O-CG 3.18Å; P182-L184 PolarHBondContact O-N 3.11Å; P182-V185 WeakPolarHBondContact O-CB 3.44Å; P182-V185 PolarHBondContact O-N 3.23Å; P182-V185 VanDerWaalsContact O-N 3.11Å; P182-R234 WeakPolarHBondContact O-CG 3.27Å
183Y94.8Very high96.3Very high62 Ų6238.4 Ų38.424%0.24319%0.191CC..G310 helixtrans-66.2-19.9179.752.1-90.3000113.1F154 Y158 Q161 N181 V185F154-Y183 HydrophobicContact CE2-CD2 4.49Å; F154-Y183 WeakPolarHBondContact CZ-O 3.17Å; Y158-Y183 HydrophobicContact CD1-CD2 4.05Å; Y158-Y183 AromaticContact CD1-CE2 3.39Å; Y158-Y183 HydrophobicContact CD1-CE2 3.39Å; Y158-Y183 HydrophobicContact CD2-CD2 4.08Å; Y158-Y183 HydrophobicContact CD2-CE2 4.23Å; Y158-Y183 AromaticContact CE1-CD2 3.89Å; Y158-Y183 HydrophobicContact CE1-CD2 3.89Å; Y158-Y183 AromaticContact CE1-CE2 3.41Å; Y158-Y183 HydrophobicContact CE1-CE2 3.41Å; Y158-Y183 VanDerWaalsContact CE1-CE2 3.41Å; Y158-Y183 AromaticContact CE1-CZ 4Å; Y158-Y183 AromaticContact CE2-CD2 3.91Å; Y158-Y183 HydrophobicContact CE2-CD2 3.91Å; Y158-Y183 HydrophobicContact CE2-CE2 4.23Å; Y158-Y183 HydrophobicContact CG-CD2 4.13Å; Y158-Y183 AromaticContact CG-CE2 3.81Å; Y158-Y183 HydrophobicContact CG-CE2 3.81Å; Y158-Y183 AromaticContact CZ-CD2 3.8Å; Y158-Y183 AromaticContact CZ-CE2 3.84Å; Q161-Y183 PolarHBondContact NE2-OH 3.14Å; Q161-Y183 PolarHBondContact OE1-OH 3.21Å; N181-Y183 HydrophobicContact CB-CE1 3.97Å; N181-Y183 HydrophobicContact CB-CE2 4.42Å; N181-Y183 PolarHBondContact O-N 3.19Å; N181-Y183 VanDerWaalsContact O-N 3.15Å; N181-Y183 PolarHBondContact OD1-OH 3.02Å; Y183-V185 PolarHBondContact O-N 2.89Å
184L96.9Very high96.3Very high0 Ų036.5 Ų36.50%018%0.182CC..G310 helixtrans-71.3-16.1173.9-60179.4000113F154 Y158 Q161 I162 Y177 L178 N181 P182 C186 T189 M219F154-L184 HydrophobicContact CZ-CD2 4.23Å; Y158-L184 HydrophobicContact CG-CD2 4.47Å; Q161-L184 HydrophobicContact CB-CD1 3.96Å; Q161-L184 HydrophobicContact CB-CD2 4.23Å; I162-L184 HydrophobicContact CG1-CD2 3.9Å; Y177-L184 HydrophobicContact CD1-CD1 4.32Å; Y177-L184 HydrophobicContact CE1-CD1 3.63Å; L178-L184 HydrophobicContact CD2-CB 4.1Å; N181-L184 HydrophobicContact CB-CD1 3.6Å; N181-L184 HydrophobicContact CB-CG 3.92Å; N181-L184 WeakPolarHBondContact O-CB 3.42Å; N181-L184 PolarHBondContact O-N 3.46Å; N181-L184 VanDerWaalsContact O-N 3.16Å; P182-L184 PolarHBondContact O-N 3.11Å; L184-C186 VanDerWaalsContact C-N 3.32Å; L184-C186 PolarHBondContact O-N 2.82Å; L184-T189 WeakPolarHBondContact O-CB 3.18Å; L184-T189 WeakPolarHBondContact O-CG2 3.22Å; L184-T189 PolarHBondContact O-OG1 3.27Å; L184-M219 WeakPolarHBondContact O-CE 3.48Å
185V96.9Very high96.2Very high1 Ų140.5 Ų40.51%0.00620%0.203CC..  trans-81.382.1177.6-167.80000109.3L178 P182 Y183 M219 I222 P233 R234 F237L178-V185 HydrophobicContact CB-CG2 4.12Å; L178-V185 HydrophobicContact CD1-CG2 4.17Å; L178-V185 HydrophobicContact CD2-CG2 3.95Å; L178-V185 HydrophobicContact CG-CG2 4.3Å; P182-V185 WeakPolarHBondContact O-CB 3.44Å; P182-V185 PolarHBondContact O-N 3.23Å; P182-V185 VanDerWaalsContact O-N 3.11Å; Y183-V185 PolarHBondContact O-N 2.89Å; V185-M219 HydrophobicContact CG1-SD 4.11Å; V185-I222 HydrophobicContact CG1-CG2 3.53Å; V185-P233 HydrophobicContact CG1-CB 3.71Å; V185-R234 HydrophobicContact CB-CG 4.12Å; V185-F237 HydrophobicContact CG1-CB 4.09Å; V185-F237 HydrophobicContact CG2-CB 4.43Å; V185-F237 HydrophobicContact CG2-CD1 4.23Å; V185-F237 HydrophobicContact CG2-CG 4.21Å
186C94.7Very high96.1Very high12 Ų1239.4 Ų39.48%0.08120%0.198CC..SBendtrans-158.3170.4-179.764.60000111.8F154 L184 E188 T189F154-C186 WeakPolarHBondContact CZ-SG 3.5Å; L184-C186 VanDerWaalsContact C-N 3.32Å; L184-C186 PolarHBondContact O-N 2.82Å; C186-E188 VanDerWaalsContact C-N 3.31Å; C186-E188 WeakPolarHBondContact CB-OE2 3.43Å; C186-E188 PolarHBondContact O-N 3.5Å; C186-E188 PolarHBondContact SG-OE2 3.24Å; C186-T189 PolarHBondContact O-N 3.21Å; C186-T189 PolarHBondContact SG-OG1 3.28Å
187E93.9Very high96.1Very high91 Ų9132.8 Ų32.843%0.42517%0.169SC..Hα-helixtrans-67.2-33-177.5-62.1-167.5152.900112.1T189 A190 N191 L223 K227E187-T189 VanDerWaalsContact C-N 3.32Å; E187-T189 PolarHBondContact O-N 3.47Å; E187-A190 PolarHBondContact O-N 2.88Å; E187-A190 VanDerWaalsContact O-N 3.16Å; E187-N191 VanDerWaalsContact O-CG 3.27Å; E187-N191 PolarHBondContact O-N 2.9Å; E187-N191 PolarHBondContact O-ND2 3.01Å; E187-L223 HydrophobicContact CG-CD1 4.15Å; E187-L223 HydrophobicContact CG-CD2 4.28Å; E187-K227 WeakPolarHBondContact OE1-CE 3.29Å; E187-K227 IonicContact OE1-NZ 3.08Å; E187-K227 PolarHBondContact OE1-NZ 3.37Å
188E94.4Very high95.9Very high27 Ų2732.2 Ų32.213%0.12617%0.168CC..Hα-helixtrans-61.2-41-179.8-61.684.3169.300111.9K150 H151 F154 C186 N191 Y192K150-E188 WeakPolarHBondContact CE-OE1 3.31Å; H151-E188 HydrophobicContact CB-CG 4.13Å; H151-E188 PolarHBondContact CE1-O 3.22Å; H151-E188 WeakPolarHBondContact ND1-CB 3.36Å; F154-E188 HydrophobicContact CD1-CB 3.72Å; F154-E188 HydrophobicContact CE1-CB 4.09Å; F154-E188 HydrophobicContact CG-CB 4.36Å; C186-E188 VanDerWaalsContact C-N 3.31Å; C186-E188 WeakPolarHBondContact CB-OE2 3.43Å; C186-E188 PolarHBondContact O-N 3.5Å; C186-E188 PolarHBondContact SG-OE2 3.24Å; E188-N191 PolarHBondContact O-N 3.42Å; E188-Y192 WeakPolarHBondContact O-CB 3.27Å; E188-Y192 PolarHBondContact O-N 2.97Å
189T96.3Very high95.8Very high0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-62.6-45.7174.8-58.90000111.2F154 I162 L184 C186 E187 N191 Y192 L193 M219F154-T189 WeakPolarHBondContact CE1-OG1 3.24Å; I162-T189 HydrophobicContact CG1-CG2 4.14Å; I162-T189 HydrophobicContact CG2-CG2 3.89Å; L184-T189 WeakPolarHBondContact O-CB 3.18Å; L184-T189 WeakPolarHBondContact O-CG2 3.22Å; L184-T189 PolarHBondContact O-OG1 3.27Å; C186-T189 PolarHBondContact O-N 3.21Å; C186-T189 PolarHBondContact SG-OG1 3.28Å; E187-T189 VanDerWaalsContact C-N 3.32Å; E187-T189 PolarHBondContact O-N 3.47Å; T189-N191 PolarHBondContact O-N 3.07Å; T189-Y192 PolarHBondContact O-N 3.03Å; T189-L193 HydrophobicContact CG2-CD1 4.08Å; T189-L193 VanDerWaalsContact O-CG 3.27Å; T189-L193 WeakPolarHBondContact O-CG 3.45Å; T189-L193 PolarHBondContact O-N 3.44Å; T189-M219 HydrophobicContact CG2-CE 3.95Å
190A96.2Very high95.7Very high3 Ų333.7 Ų33.73%0.02517%0.173CC..Hα-helixtrans-61.5-45.6178.100000111.2E187 Y192 L193 V194 M219 Q220 L223E187-A190 PolarHBondContact O-N 2.88Å; E187-A190 VanDerWaalsContact O-N 3.16Å; A190-Y192 PolarHBondContact O-N 3.4Å; A190-L193 PolarHBondContact O-N 3.09Å; A190-V194 WeakPolarHBondContact O-CG2 2.91Å; A190-V194 PolarHBondContact O-N 2.93Å; A190-M219 HydrophobicContact CB-CB 4.36Å; A190-M219 HydrophobicContact CB-CG 3.86Å; A190-Q220 HydrophobicContact CB-CG 4.39Å; A190-L223 HydrophobicContact CB-CD1 3.89Å
191N94.4Very high95.6Very high86 Ų8629.9 Ų29.946%0.4615%0.152SC..Hα-helixtrans-61.2-43.3179.1-68.8-15.4000112E187 E188 T189 V194 I195E187-N191 VanDerWaalsContact O-CG 3.27Å; E187-N191 PolarHBondContact O-N 2.9Å; E187-N191 PolarHBondContact O-ND2 3.01Å; E188-N191 PolarHBondContact O-N 3.42Å; T189-N191 PolarHBondContact O-N 3.07Å; N191-V194 PolarHBondContact O-N 3.48Å; N191-I195 WeakPolarHBondContact O-CG1 3.26Å; N191-I195 PolarHBondContact O-N 2.82Å; N191-I195 VanDerWaalsContact O-N 3.15Å
192Y96.4Very high95.5Very high31 Ų3131 Ų3112%0.12216%0.16CC..Hα-helixtrans-62.9-44.1176.8-178.1-91.5000112.2V155 E159 I162 K163 E188 T189 A190 V194 I195 M196V155-Y192 HydrophobicContact CB-CD2 4.26Å; V155-Y192 HydrophobicContact CG1-CD2 3.26Å; V155-Y192 HydrophobicContact CG1-CE2 3.38Å; V155-Y192 HydrophobicContact CG1-CG 4.2Å; V155-Y192 HydrophobicContact CG2-CD2 3.93Å; V155-Y192 HydrophobicContact CG2-CG 4.31Å; E159-Y192 HydrophobicContact CG-CE1 4.47Å; E159-Y192 HydrophobicContact CG-CE2 4.35Å; E159-Y192 WeakPolarHBondContact CG-OH 3.26Å; E159-Y192 PolarHBondContact OE1-OH 3.42Å; E159-Y192 VanDerWaalsContact OE1-OH 3.08Å; I162-Y192 HydrophobicContact CB-CD1 4.18Å; I162-Y192 HydrophobicContact CG2-CD1 3.38Å; I162-Y192 HydrophobicContact CG2-CE1 4.04Å; I162-Y192 HydrophobicContact CG2-CG 4.21Å; K163-Y192 WeakPolarHBondContact CE-OH 3.36Å; K163-Y192 HydrophobicContact CG-CE1 4.15Å; E188-Y192 WeakPolarHBondContact O-CB 3.27Å; E188-Y192 PolarHBondContact O-N 2.97Å; T189-Y192 PolarHBondContact O-N 3.03Å; A190-Y192 PolarHBondContact O-N 3.4Å; Y192-V194 VanDerWaalsContact C-N 3.29Å; Y192-V194 PolarHBondContact O-N 3.37Å; Y192-I195 PolarHBondContact O-N 3.33Å; Y192-M196 HydrophobicContact CE1-CB 4.49Å; Y192-M196 HydrophobicContact CE1-SD 4.35Å; Y192-M196 WeakPolarHBondContact O-CB 3.43Å; Y192-M196 PolarHBondContact O-N 2.84Å
193L97.1Very high95.4Very high0 Ų033.8 Ų33.80%017%0.169CC..Hα-helixtrans-63.4-35.1178.3-66.1168.4000112.1I162 F165 T189 A190 M196 C197 V212 T216I162-L193 HydrophobicContact CG2-CD2 3.71Å; I162-L193 HydrophobicContact CG2-CG 3.86Å; F165-L193 HydrophobicContact CD1-CD1 3.91Å; F165-L193 HydrophobicContact CE1-CD1 4.01Å; T189-L193 HydrophobicContact CG2-CD1 4.08Å; T189-L193 VanDerWaalsContact O-CG 3.27Å; T189-L193 WeakPolarHBondContact O-CG 3.45Å; T189-L193 PolarHBondContact O-N 3.44Å; A190-L193 PolarHBondContact O-N 3.09Å; L193-M196 PolarHBondContact O-N 3.3Å; L193-C197 PolarHBondContact O-N 3.03Å; L193-C197 PolarHBondContact O-SG 3.07Å; L193-V212 HydrophobicContact CB-CG1 4.39Å; L193-V212 HydrophobicContact CD2-CG1 3.96Å; L193-T216 HydrophobicContact CB-CG2 4.25Å; L193-T216 VanDerWaalsContact CB-OG1 3.31Å; L193-T216 WeakPolarHBondContact CB-OG1 3.28Å
194V96.6Very high95.3Very high28 Ų2838.4 Ų38.417%0.1719%0.193CC..Hα-helixtrans-62.5-46.9173.6174.20000111.2A190 N191 Y192 M196 C197 I198 T216 F262A190-V194 WeakPolarHBondContact O-CG2 2.91Å; A190-V194 PolarHBondContact O-N 2.93Å; N191-V194 PolarHBondContact O-N 3.48Å; Y192-V194 VanDerWaalsContact C-N 3.29Å; Y192-V194 PolarHBondContact O-N 3.37Å; V194-M196 VanDerWaalsContact C-N 3.33Å; V194-C197 WeakPolarHBondContact O-CB 3.37Å; V194-C197 PolarHBondContact O-N 3.03Å; V194-I198 HydrophobicContact CG1-CD1 4.42Å; V194-I198 PolarHBondContact O-N 2.66Å; V194-T216 HydrophobicContact CG2-CG2 3.53Å; V194-F262 HydrophobicContact CB-CZ 4.39Å; V194-F262 HydrophobicContact CG1-CE2 4.27Å; V194-F262 HydrophobicContact CG1-CZ 4.31Å; V194-F262 HydrophobicContact CG2-CE2 3.88Å; V194-F262 HydrophobicContact CG2-CZ 3.9Å
195I94.9Very high95.2Very high84 Ų8443.4 Ų43.443%0.43121%0.214SC..Hα-helixtrans-61.9-45.9177.8-65.2167.7000109.8N191 Y192 C197 I198 D199N191-I195 WeakPolarHBondContact O-CG1 3.26Å; N191-I195 PolarHBondContact O-N 2.82Å; N191-I195 VanDerWaalsContact O-N 3.15Å; Y192-I195 PolarHBondContact O-N 3.33Å; I195-C197 VanDerWaalsContact C-N 3.28Å; I195-C197 PolarHBondContact O-N 3.22Å; I195-I198 WeakPolarHBondContact O-CB 3.4Å; I195-I198 PolarHBondContact O-N 3.08Å; I195-D199 PolarHBondContact O-N 2.82Å
196M95.3Very high95.1Very high23 Ų2347.5 Ų47.511%0.11323%0.233CC..Hα-helixtrans-57.7-39.3176.1-176.7179.917800112.3K163 Y192 L193 V194 I198 D199 L200 V212K163-M196 HydrophobicContact CD-CE 4.45Å; K163-M196 HydrophobicContact CG-CE 4.06Å; K163-M196 HydrophobicContact CG-SD 3.93Å; Y192-M196 HydrophobicContact CE1-CB 4.49Å; Y192-M196 HydrophobicContact CE1-SD 4.35Å; Y192-M196 WeakPolarHBondContact O-CB 3.43Å; Y192-M196 PolarHBondContact O-N 2.84Å; L193-M196 PolarHBondContact O-N 3.3Å; V194-M196 VanDerWaalsContact C-N 3.33Å; M196-I198 VanDerWaalsContact C-N 3.33Å; M196-I198 PolarHBondContact O-N 3.15Å; M196-D199 PolarHBondContact O-N 3.34Å; M196-L200 HydrophobicContact CE-CD1 4.1Å; M196-L200 HydrophobicContact CG-CD1 4.07Å; M196-L200 HydrophobicContact CG-CG 4.39Å; M196-L200 WeakPolarHBondContact O-CB 3.21Å; M196-L200 WeakPolarHBondContact O-CG 3.27Å; M196-L200 PolarHBondContact O-N 3.1Å; M196-V212 HydrophobicContact CE-CG2 4.07Å; M196-V212 HydrophobicContact CG-CG1 4.4Å; M196-V212 HydrophobicContact SD-CG1 4.14Å; M196-V212 HydrophobicContact SD-CG2 4.43Å
197C96.9Very high95.1Very high0 Ų051.2 Ų51.20%026%0.264CS..Hα-helixtrans-61.4-40.9174.5-68.50000112.2L193 V194 I195 E201 M209 V212 A213 F262 V266L193-C197 PolarHBondContact O-N 3.03Å; L193-C197 PolarHBondContact O-SG 3.07Å; V194-C197 WeakPolarHBondContact O-CB 3.37Å; V194-C197 PolarHBondContact O-N 3.03Å; I195-C197 VanDerWaalsContact C-N 3.28Å; I195-C197 PolarHBondContact O-N 3.22Å; C197-E201 WeakPolarHBondContact O-CB 3.5Å; C197-E201 PolarHBondContact O-N 2.7Å; C197-E201 VanDerWaalsContact O-N 3.09Å; C197-M209 HydrophobicContact CB-CG 4.15Å; C197-M209 VanDerWaalsContact O-CG 3.32Å; C197-M209 WeakPolarHBondContact O-CG 3.46Å; C197-V212 VanDerWaalsContact SG-CG1 3.56Å; C197-A213 PolarHBondContact SG-N 2.87Å; C197-F262 HydrophobicContact CB-CE1 4.46Å; C197-V266 HydrophobicContact CB-CG1 3.96Å; C197-V266 HydrophobicContact CB-CG2 4Å; C197-V266 WeakPolarHBondContact O-CG1 3.34Å
198I94.8Very high95.2Very high21 Ų2150 Ų5011%0.10826%0.261CS..Hα-helixtrans-67.9-44.8178.5-62.2166.8000110.3V194 I195 M196 L200 E201 V202 V266 R269V194-I198 HydrophobicContact CG1-CD1 4.42Å; V194-I198 PolarHBondContact O-N 2.66Å; I195-I198 WeakPolarHBondContact O-CB 3.4Å; I195-I198 PolarHBondContact O-N 3.08Å; M196-I198 VanDerWaalsContact C-N 3.33Å; M196-I198 PolarHBondContact O-N 3.15Å; I198-L200 PolarHBondContact O-N 3.31Å; I198-E201 PolarHBondContact O-N 3.1Å; I198-V202 WeakPolarHBondContact O-CG2 3.46Å; I198-V202 PolarHBondContact O-N 3.22Å; I198-V266 HydrophobicContact CG1-CG1 4.22Å; I198-R269 HydrophobicContact CD1-CB 4.14Å; I198-R269 HydrophobicContact CG1-CB 4.33Å
199D94.8Very high95.3Very high53 Ų5348.8 Ų48.828%0.28326%0.255SS..Hα-helixtrans-60.1-46177.8-68.7-29.6000111.1I195 M196 E201 V202 E203 R273I195-D199 PolarHBondContact O-N 2.82Å; M196-D199 PolarHBondContact O-N 3.34Å; D199-E201 VanDerWaalsContact C-N 3.3Å; D199-E201 PolarHBondContact O-N 2.99Å; D199-V202 PolarHBondContact O-N 3.29Å; D199-E203 WeakPolarHBondContact O-CB 3.13Å; D199-E203 WeakPolarHBondContact O-CG 3.43Å; D199-E203 PolarHBondContact O-N 3.43Å; D199-R273 IonicContact OD1-CZ 2.8Å; D199-R273 IonicContact OD1-NH1 3.88Å; D199-R273 PolarHBondContact OD1-NH1 2.96Å; D199-R273 IonicContact OD1-NH2 2.66Å; D199-R273 PolarHBondContact OD1-NH2 3.37Å
200L95.4Very high95.2Very high12 Ų1252 Ų526%0.06327%0.27CS..Hα-helixtrans-62.5-35.7177.4-72.7173000113.1M196 I198 E203 E204 K205 L208 M209 V212M196-L200 HydrophobicContact CE-CD1 4.1Å; M196-L200 HydrophobicContact CG-CD1 4.07Å; M196-L200 HydrophobicContact CG-CG 4.39Å; M196-L200 WeakPolarHBondContact O-CB 3.21Å; M196-L200 WeakPolarHBondContact O-CG 3.27Å; M196-L200 PolarHBondContact O-N 3.1Å; I198-L200 PolarHBondContact O-N 3.31Å; L200-E203 CarbonylContact O-C 3.42Å; L200-E203 PolarHBondContact O-N 3.23Å; L200-E204 PolarHBondContact O-N 3.13Å; L200-K205 HydrophobicContact CB-CB 4.41Å; L200-K205 HydrophobicContact CD2-CB 4.04Å; L200-K205 HydrophobicContact CD2-CD 3.81Å; L200-K205 WeakPolarHBondContact O-CA 3.46Å; L200-K205 PolarHBondContact O-N 3.49Å; L200-L208 HydrophobicContact CD1-CB 4.35Å; L200-L208 HydrophobicContact CD1-CD2 4.14Å; L200-L208 HydrophobicContact CD1-CG 3.83Å; L200-L208 HydrophobicContact CD2-CD2 3.79Å; L200-L208 HydrophobicContact CD2-CG 4.3Å; L200-M209 HydrophobicContact CB-CB 4.01Å; L200-V212 HydrophobicContact CD1-CB 4.45Å; L200-V212 HydrophobicContact CD1-CG2 3.93Å
201E94.4Very high95.2Very high23 Ų2354.2 Ų54.211%0.10728%0.28CS..Hα-helixtrans-70.3-37.5176.7-172.963.6-169.600111.8C197 I198 D199 E203 E204 H206 M209 V266 A270C197-E201 WeakPolarHBondContact O-CB 3.5Å; C197-E201 PolarHBondContact O-N 2.7Å; C197-E201 VanDerWaalsContact O-N 3.09Å; I198-E201 PolarHBondContact O-N 3.1Å; D199-E201 VanDerWaalsContact C-N 3.3Å; D199-E201 PolarHBondContact O-N 2.99Å; E201-E203 VanDerWaalsContact C-N 3.32Å; E201-E204 PolarHBondContact O-N 3.37Å; E201-H206 IonicContact OE1-CE1 3.74Å; E201-H206 PolarHBondContact OE1-CE1 3.09Å; E201-H206 VanDerWaalsContact OE1-CE1 3.26Å; E201-H206 IonicContact OE1-ND1 3.77Å; E201-H206 PolarHBondContact OE1-ND1 3.39Å; E201-H206 VanDerWaalsContact OE1-ND1 3.07Å; E201-H206 IonicContact OE2-CE1 3.31Å; E201-H206 IonicContact OE2-CG 3.2Å; E201-H206 IonicContact OE2-ND1 2.67Å; E201-H206 PolarHBondContact OE2-ND1 3.49Å; E201-M209 HydrophobicContact CB-CG 4.29Å; E201-M209 WeakPolarHBondContact OE2-CE 3.33Å; E201-V266 HydrophobicContact CB-CG1 4.13Å; E201-A270 HydrophobicContact CB-CB 3.73Å; E201-A270 HydrophobicContact CG-CB 3.39Å
202V93.7Very high95.3Very high47 Ų4750.1 Ų50.129%0.28526%0.258SS..Hα-helixtrans-67.6-34.1173.3173.30000111.4I198 D199 E204 A270 R273 I274I198-V202 WeakPolarHBondContact O-CG2 3.46Å; I198-V202 PolarHBondContact O-N 3.22Å; D199-V202 PolarHBondContact O-N 3.29Å; V202-E204 PolarHBondContact O-N 3.25Å; V202-A270 HydrophobicContact CG2-CB 3.86Å; V202-R273 HydrophobicContact CG2-CB 4.45Å; V202-I274 HydrophobicContact CG1-CG1 4.27Å; V202-I274 HydrophobicContact CG2-CG1 4.31Å
203E94Very high95.3Very high106 Ų10648.7 Ų48.750%0.49525%0.252SS..THydrogen-bonded Turntrans-78.68.5173.7-68.8178.3-167.900113.9D199 L200 E201 K205D199-E203 WeakPolarHBondContact O-CB 3.13Å; D199-E203 WeakPolarHBondContact O-CG 3.43Å; D199-E203 PolarHBondContact O-N 3.43Å; L200-E203 CarbonylContact O-C 3.42Å; L200-E203 PolarHBondContact O-N 3.23Å; E201-E203 VanDerWaalsContact C-N 3.32Å; E203-K205 HydrophobicContact CB-CD 4.31Å; E203-K205 HydrophobicContact CB-CG 4.38Å; E203-K205 PolarHBondContact O-N 2.98Å; E203-K205 VanDerWaalsContact O-N 3.13Å; E203-K205 WeakPolarHBondContact OE2-CE 3.36Å; E203-K205 IonicContact OE2-NZ 3.8Å; E203-K205 PolarHBondContact OE2-NZ 3.49Å
204E93.6Very high95.3Very high159 Ų15948.9 Ų48.974%0.74325%0.253SS*.THydrogen-bonded Turntrans60.618.2-178.8-53.6-173.4156.900114.8L200 E201 V202 H206L200-E204 PolarHBondContact O-N 3.13Å; E201-E204 PolarHBondContact O-N 3.37Å; V202-E204 PolarHBondContact O-N 3.25Å; E204-H206 VanDerWaalsContact C-N 3.27Å; E204-H206 PolarHBondContact O-CD2 3.4Å; E204-H206 PolarHBondContact O-N 2.67Å; E204-H206 VanDerWaalsContact O-N 3.1Å
205K95.5Very high95.4Very high105 Ų10547.5 Ų47.546%0.45725%0.245SC..  trans-88.655.5178.5-68.2173.5-175159.20112L200 E203 A207 L208 M209L200-K205 HydrophobicContact CB-CB 4.41Å; L200-K205 HydrophobicContact CD2-CB 4.04Å; L200-K205 HydrophobicContact CD2-CD 3.81Å; L200-K205 WeakPolarHBondContact O-CA 3.46Å; L200-K205 PolarHBondContact O-N 3.49Å; E203-K205 HydrophobicContact CB-CD 4.31Å; E203-K205 HydrophobicContact CB-CG 4.38Å; E203-K205 PolarHBondContact O-N 2.98Å; E203-K205 VanDerWaalsContact O-N 3.13Å; E203-K205 WeakPolarHBondContact OE2-CE 3.36Å; E203-K205 IonicContact OE2-NZ 3.8Å; E203-K205 PolarHBondContact OE2-NZ 3.49Å; K205-A207 PolarHBondContact O-N 3.05Å; K205-L208 HydrophobicContact CB-CB 4.46Å; K205-L208 PolarHBondContact O-N 3Å; K205-L208 VanDerWaalsContact O-N 3.13Å; K205-M209 PolarHBondContact O-N 2.85Å
206H94.3Very high95.5Very high87 Ų8743.5 Ų43.540%0.40322%0.224SC..Hα-helixtrans-55.2-43.9-172.3-55.5-58.2000114.1E201 E204 L208 M209 E210E201-H206 IonicContact OE1-CE1 3.74Å; E201-H206 PolarHBondContact OE1-CE1 3.09Å; E201-H206 VanDerWaalsContact OE1-CE1 3.26Å; E201-H206 IonicContact OE1-ND1 3.77Å; E201-H206 PolarHBondContact OE1-ND1 3.39Å; E201-H206 VanDerWaalsContact OE1-ND1 3.07Å; E201-H206 IonicContact OE2-CE1 3.31Å; E201-H206 IonicContact OE2-CG 3.2Å; E201-H206 IonicContact OE2-ND1 2.67Å; E201-H206 PolarHBondContact OE2-ND1 3.49Å; E204-H206 VanDerWaalsContact C-N 3.27Å; E204-H206 PolarHBondContact O-CD2 3.4Å; E204-H206 PolarHBondContact O-N 2.67Å; E204-H206 VanDerWaalsContact O-N 3.1Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 PolarHBondContact O-N 2.99Å; H206-M209 WeakPolarHBondContact O-CB 3.21Å; H206-M209 PolarHBondContact O-N 3.24Å; H206-E210 WeakPolarHBondContact O-CG 3.46Å; H206-E210 PolarHBondContact O-N 3.4Å
207A94.9Very high95.5Very high89 Ų8942.5 Ų42.574%0.73622%0.219SC*.Hα-helixtrans-63.2-38.1-178.700000112.6K205 Q211K205-A207 PolarHBondContact O-N 3.05Å; A207-Q211 PolarHBondContact O-N 3.16Å
208L94.6Very high95.5Very high67 Ų6742.5 Ų42.535%0.35122%0.219SC..Hα-helixtrans-74.4-37.3176.7-174.358.8000111M167 L200 K205 H206 E210 Q211 V212M167-L208 HydrophobicContact CG-CD1 4.41Å; L200-L208 HydrophobicContact CD1-CB 4.35Å; L200-L208 HydrophobicContact CD1-CD2 4.14Å; L200-L208 HydrophobicContact CD1-CG 3.83Å; L200-L208 HydrophobicContact CD2-CD2 3.79Å; L200-L208 HydrophobicContact CD2-CG 4.3Å; K205-L208 HydrophobicContact CB-CB 4.46Å; K205-L208 PolarHBondContact O-N 3Å; K205-L208 VanDerWaalsContact O-N 3.13Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 PolarHBondContact O-N 2.99Å; L208-E210 VanDerWaalsContact C-N 3.32Å; L208-E210 PolarHBondContact O-N 2.77Å; L208-Q211 WeakPolarHBondContact O-CB 3.45Å; L208-Q211 PolarHBondContact O-N 3.5Å; L208-V212 HydrophobicContact CD1-CG2 4.39Å; L208-V212 HydrophobicContact CG-CG2 4.44Å; L208-V212 WeakPolarHBondContact O-CG2 3.5Å; L208-V212 PolarHBondContact O-N 2.77Å
209M96.6Very high95.7Very high0 Ų041.5 Ų41.50%021%0.214CC..Hα-helixtrans-56-46.7173177.9-78.5-71.400110.9C197 L200 E201 K205 H206 Q211 V212 A213 K263 V266 R267C197-M209 HydrophobicContact CB-CG 4.15Å; C197-M209 VanDerWaalsContact O-CG 3.32Å; C197-M209 WeakPolarHBondContact O-CG 3.46Å; L200-M209 HydrophobicContact CB-CB 4.01Å; E201-M209 HydrophobicContact CB-CG 4.29Å; E201-M209 WeakPolarHBondContact OE2-CE 3.33Å; K205-M209 PolarHBondContact O-N 2.85Å; H206-M209 WeakPolarHBondContact O-CB 3.21Å; H206-M209 PolarHBondContact O-N 3.24Å; M209-Q211 VanDerWaalsContact C-N 3.29Å; M209-Q211 PolarHBondContact O-N 3.18Å; M209-V212 PolarHBondContact O-N 3.04Å; M209-A213 WeakPolarHBondContact O-CB 3.31Å; M209-A213 PolarHBondContact O-N 2.82Å; M209-A213 HydrophobicContact SD-CB 4.24Å; M209-K263 HydrophobicContact SD-CG 4.43Å; M209-V266 HydrophobicContact CG-CG1 4.06Å; M209-V266 HydrophobicContact SD-CG1 4.15Å; M209-R267 HydrophobicContact CE-CG 4.49Å
210E95.2Very high95.7Very high68 Ų6841.9 Ų41.932%0.31821%0.214SC..Hα-helixtrans-63.8-34.7179.9-69.8-162.7-165.600113.4H206 L208 H214 K263 R267H206-E210 WeakPolarHBondContact O-CG 3.46Å; H206-E210 PolarHBondContact O-N 3.4Å; L208-E210 VanDerWaalsContact C-N 3.32Å; L208-E210 PolarHBondContact O-N 2.77Å; E210-H214 PolarHBondContact O-N 3.39Å; E210-K263 HydrophobicContact CG-CD 4.01Å; E210-K263 IonicContact OE2-NZ 2.96Å; E210-K263 PolarHBondContact OE2-NZ 3.01Å; E210-R267 IonicContact OE1-NH2 2.62Å; E210-R267 PolarHBondContact OE1-NH2 3.02Å; E210-R267 VanDerWaalsContact OE1-NH2 3.15Å
211Q95.2Very high95.7Very high50 Ų5042.7 Ų42.723%0.23422%0.217CC..Hα-helixtrans-66.5-47.4175.1179.770.8-9.600111.4M167 L168 A207 L208 M209 A213 H214 Q215M167-Q211 PolarHBondContact O-NE2 3.09Å; L168-Q211 PolarHBondContact O-NE2 2.75Å; L168-Q211 VanDerWaalsContact O-NE2 3.14Å; A207-Q211 PolarHBondContact O-N 3.16Å; L208-Q211 WeakPolarHBondContact O-CB 3.45Å; L208-Q211 PolarHBondContact O-N 3.5Å; M209-Q211 VanDerWaalsContact C-N 3.29Å; M209-Q211 PolarHBondContact O-N 3.18Å; Q211-A213 VanDerWaalsContact C-N 3.34Å; Q211-H214 WeakPolarHBondContact O-CB 3.45Å; Q211-H214 PolarHBondContact O-N 3.15Å; Q211-Q215 PolarHBondContact O-N 2.88Å
212V97.4Very high95.7Very high0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-67.8-36178.2-1790000111.1G166 L193 M196 C197 L200 L208 M209 H214 Q215 T216G166-V212 WeakPolarHBondContact O-CA 3.29Å; L193-V212 HydrophobicContact CB-CG1 4.39Å; L193-V212 HydrophobicContact CD2-CG1 3.96Å; M196-V212 HydrophobicContact CE-CG2 4.07Å; M196-V212 HydrophobicContact CG-CG1 4.4Å; M196-V212 HydrophobicContact SD-CG1 4.14Å; M196-V212 HydrophobicContact SD-CG2 4.43Å; C197-V212 VanDerWaalsContact SG-CG1 3.56Å; L200-V212 HydrophobicContact CD1-CB 4.45Å; L200-V212 HydrophobicContact CD1-CG2 3.93Å; L208-V212 HydrophobicContact CD1-CG2 4.39Å; L208-V212 HydrophobicContact CG-CG2 4.44Å; L208-V212 WeakPolarHBondContact O-CG2 3.5Å; L208-V212 PolarHBondContact O-N 2.77Å; M209-V212 PolarHBondContact O-N 3.04Å; V212-H214 VanDerWaalsContact C-N 3.3Å; V212-H214 PolarHBondContact O-N 3.49Å; V212-Q215 PolarHBondContact O-N 2.95Å; V212-T216 PolarHBondContact O-N 3.24Å; V212-T216 PolarHBondContact O-OG1 2.84Å
213A97Very high95.8Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-58.9-42.4175.500000111.4C197 M209 Q211 Q215 T216 I217 L259 F262 K263C197-A213 PolarHBondContact SG-N 2.87Å; M209-A213 WeakPolarHBondContact O-CB 3.31Å; M209-A213 PolarHBondContact O-N 2.82Å; M209-A213 HydrophobicContact SD-CB 4.24Å; Q211-A213 VanDerWaalsContact C-N 3.34Å; A213-Q215 PolarHBondContact O-N 3.01Å; A213-T216 WeakPolarHBondContact O-CB 3.42Å; A213-T216 PolarHBondContact O-N 3.2Å; A213-I217 WeakPolarHBondContact O-CG1 3.34Å; A213-I217 PolarHBondContact O-N 3.11Å; A213-L259 HydrophobicContact CB-CD1 4Å; A213-F262 HydrophobicContact CB-CD1 3.83Å; A213-F262 HydrophobicContact CB-CE1 3.77Å; A213-K263 HydrophobicContact CB-CG 4.14Å
214H97Very high95.8Very high4 Ų440.3 Ų40.32%0.01920%0.203CC..Hα-helixtrans-57.2-50.9174.6177.5-86.6000111.9R169 W171 E210 Q211 V212 T216 I217 V218 F255 L259R169-H214 PolarHBondContact NH1-CD2 3.23Å; R169-H214 PolarHBondContact NH2-CD2 2.93Å; W171-H214 AromaticContact CH2-CE1 3.41Å; W171-H214 VanDerWaalsContact CH2-CE1 3.41Å; W171-H214 WeakPolarHBondContact CH2-CE1 3.41Å; W171-H214 AromaticContact CH2-NE2 3.36Å; W171-H214 WeakPolarHBondContact CH2-NE2 3.38Å; W171-H214 AromaticContact CZ2-NE2 3.77Å; W171-H214 AromaticContact CZ3-CE1 3.68Å; E210-H214 PolarHBondContact O-N 3.39Å; Q211-H214 WeakPolarHBondContact O-CB 3.45Å; Q211-H214 PolarHBondContact O-N 3.15Å; V212-H214 VanDerWaalsContact C-N 3.3Å; V212-H214 PolarHBondContact O-N 3.49Å; H214-T216 VanDerWaalsContact C-N 3.29Å; H214-T216 PolarHBondContact O-N 3Å; H214-I217 PolarHBondContact O-N 3.18Å; H214-V218 WeakPolarHBondContact O-CG2 3.42Å; H214-V218 PolarHBondContact O-N 2.88Å; H214-F255 AromaticContact CD2-CE1 3.88Å; H214-F255 AromaticContact NE2-CE1 3.85Å; H214-L259 HydrophobicContact CB-CD1 4.4Å; H214-L259 HydrophobicContact CB-CD2 4.22Å
215Q97.3Very high95.8Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-68.8-28.6-180-64.3-60.6-41.500112.9F165 L168 S174 Q211 V212 A213 V218 M219F165-Q215 HydrophobicContact CD1-CB 4.3Å; F165-Q215 HydrophobicContact CE1-CB 3.92Å; F165-Q215 HydrophobicContact CZ-CB 4.34Å; F165-Q215 VanDerWaalsContact O-CG 3.31Å; F165-Q215 WeakPolarHBondContact O-CG 3.37Å; L168-Q215 VanDerWaalsContact C-NE2 3.34Å; L168-Q215 WeakPolarHBondContact O-CG 3.11Å; L168-Q215 PolarHBondContact O-NE2 3.5Å; S174-Q215 PolarHBondContact OG-NE2 2.89Å; S174-Q215 PolarHBondContact OG-OE1 2.91Å; Q211-Q215 PolarHBondContact O-N 2.88Å; V212-Q215 PolarHBondContact O-N 2.95Å; A213-Q215 PolarHBondContact O-N 3.01Å; Q215-V218 WeakPolarHBondContact O-CB 3.41Å; Q215-V218 PolarHBondContact O-N 2.98Å; Q215-M219 PolarHBondContact O-N 3.37Å
216T97.8Very high95.7Very high0 Ų028.9 Ų28.90%015%0.153CC..Hα-helixtrans-59.1-48.8170.7-54.30000110.8L193 V194 V212 A213 H214 V218 M219 Q220 F262L193-T216 HydrophobicContact CB-CG2 4.25Å; L193-T216 VanDerWaalsContact CB-OG1 3.31Å; L193-T216 WeakPolarHBondContact CB-OG1 3.28Å; V194-T216 HydrophobicContact CG2-CG2 3.53Å; V212-T216 PolarHBondContact O-N 3.24Å; V212-T216 PolarHBondContact O-OG1 2.84Å; A213-T216 WeakPolarHBondContact O-CB 3.42Å; A213-T216 PolarHBondContact O-N 3.2Å; H214-T216 VanDerWaalsContact C-N 3.29Å; H214-T216 PolarHBondContact O-N 3Å; T216-V218 VanDerWaalsContact C-N 3.35Å; T216-V218 PolarHBondContact O-N 3.12Å; T216-M219 PolarHBondContact O-N 3.35Å; T216-Q220 WeakPolarHBondContact O-CG 3.28Å; T216-Q220 PolarHBondContact O-N 2.88Å; T216-F262 HydrophobicContact CG2-CE1 4.17Å; T216-F262 HydrophobicContact CG2-CE2 4.27Å; T216-F262 HydrophobicContact CG2-CZ 3.75Å
217I96.3Very high95.7Very high1 Ų131 Ų311%0.00516%0.161CC..Hα-helixtrans-67.9-36.6-180-61.9-70.5000111.2A213 H214 M219 Q220 F221 F255 L259 F262A213-I217 WeakPolarHBondContact O-CG1 3.34Å; A213-I217 PolarHBondContact O-N 3.11Å; H214-I217 PolarHBondContact O-N 3.18Å; I217-M219 VanDerWaalsContact C-N 3.34Å; I217-M219 PolarHBondContact O-N 3.24Å; I217-Q220 PolarHBondContact O-N 3.1Å; I217-F221 HydrophobicContact CG2-CD2 3.66Å; I217-F221 HydrophobicContact CG2-CE2 3.59Å; I217-F221 WeakPolarHBondContact O-CB 3.33Å; I217-F221 WeakPolarHBondContact O-CD2 3.5Å; I217-F221 PolarHBondContact O-N 3.3Å; I217-F255 HydrophobicContact CB-CE2 4.35Å; I217-F255 HydrophobicContact CB-CZ 4.34Å; I217-F255 HydrophobicContact CG2-CD2 4.03Å; I217-F255 HydrophobicContact CG2-CE2 3.57Å; I217-F255 HydrophobicContact CG2-CZ 3.93Å; I217-L259 HydrophobicContact CB-CD1 4.49Å; I217-L259 HydrophobicContact CG1-CB 4.42Å; I217-L259 HydrophobicContact CG1-CD1 3.87Å; I217-F262 HydrophobicContact CD1-CB 3.56Å; I217-F262 HydrophobicContact CD1-CD1 4.2Å; I217-F262 HydrophobicContact CD1-CD2 4.13Å; I217-F262 HydrophobicContact CD1-CG 3.7Å; I217-F262 HydrophobicContact CG1-CB 4.17Å; I217-F262 HydrophobicContact CG1-CD1 4.22Å; I217-F262 HydrophobicContact CG1-CG 4.21Å
218V96.4Very high95.5Very high0 Ų031.1 Ų31.10%016%0.156CC..Hα-helixtrans-54.9-49.4170.3170.40000111.5F165 W171 H214 Q215 T216 F221 I222 F240 F241 F255F165-V218 HydrophobicContact CZ-CG1 4.13Å; W171-V218 HydrophobicContact CH2-CG2 4.06Å; W171-V218 HydrophobicContact CZ3-CG2 3.5Å; H214-V218 WeakPolarHBondContact O-CG2 3.42Å; H214-V218 PolarHBondContact O-N 2.88Å; Q215-V218 WeakPolarHBondContact O-CB 3.41Å; Q215-V218 PolarHBondContact O-N 2.98Å; T216-V218 VanDerWaalsContact C-N 3.35Å; T216-V218 PolarHBondContact O-N 3.12Å; V218-F221 PolarHBondContact O-N 3.3Å; V218-I222 HydrophobicContact CG1-CD1 3.92Å; V218-I222 WeakPolarHBondContact O-CD1 3.45Å; V218-I222 VanDerWaalsContact O-CG1 3.27Å; V218-I222 WeakPolarHBondContact O-CG1 3.44Å; V218-I222 PolarHBondContact O-N 3.43Å; V218-I222 VanDerWaalsContact O-N 3.07Å; V218-F240 HydrophobicContact CB-CE1 4.47Å; V218-F240 HydrophobicContact CG1-CD1 4.46Å; V218-F240 HydrophobicContact CG1-CE1 3.77Å; V218-F240 HydrophobicContact CG1-CZ 4.43Å; V218-F240 HydrophobicContact CG2-CE1 4.5Å; V218-F241 HydrophobicContact CG1-CE1 4.06Å; V218-F241 HydrophobicContact CG1-CZ 3.8Å; V218-F255 HydrophobicContact CG2-CE2 4.22Å; V218-F255 HydrophobicContact CG2-CZ 3.85Å
219M97.6Very high95.4Very high0 Ų031.7 Ų31.70%016%0.159CC..Hα-helixtrans-64.3-42.3178.4-171.859.369.300111.6F165 L178 L184 V185 T189 A190 Q215 T216 I217 F221 I222 L223F165-M219 HydrophobicContact CD1-CE 4.36Å; F165-M219 HydrophobicContact CE1-CB 4.31Å; F165-M219 HydrophobicContact CE1-CE 3.81Å; F165-M219 HydrophobicContact CZ-CE 4.01Å; L178-M219 HydrophobicContact CD1-CE 4.28Å; L178-M219 HydrophobicContact CD2-CE 3.93Å; L184-M219 WeakPolarHBondContact O-CE 3.48Å; V185-M219 HydrophobicContact CG1-SD 4.11Å; T189-M219 HydrophobicContact CG2-CE 3.95Å; A190-M219 HydrophobicContact CB-CB 4.36Å; A190-M219 HydrophobicContact CB-CG 3.86Å; Q215-M219 PolarHBondContact O-N 3.37Å; T216-M219 PolarHBondContact O-N 3.35Å; I217-M219 VanDerWaalsContact C-N 3.34Å; I217-M219 PolarHBondContact O-N 3.24Å; M219-F221 PolarHBondContact O-N 2.97Å; M219-I222 WeakPolarHBondContact O-CB 3.45Å; M219-I222 PolarHBondContact O-N 3.4Å; M219-L223 HydrophobicContact CG-CD1 4.17Å; M219-L223 VanDerWaalsContact O-CG 3.28Å; M219-L223 WeakPolarHBondContact O-CG 3.47Å; M219-L223 PolarHBondContact O-N 3.11Å
220Q95.8Very high95.1Very high62 Ų6240.9 Ų40.929%0.2920%0.199SC..Hα-helixtrans-61-44.7177.7-72.8178.1-0.300112.2A190 T216 I217 I222 L223 E224A190-Q220 HydrophobicContact CB-CG 4.39Å; T216-Q220 WeakPolarHBondContact O-CG 3.28Å; T216-Q220 PolarHBondContact O-N 2.88Å; I217-Q220 PolarHBondContact O-N 3.1Å; Q220-I222 VanDerWaalsContact C-N 3.33Å; Q220-I222 PolarHBondContact O-N 2.89Å; Q220-L223 PolarHBondContact O-N 2.78Å; Q220-E224 WeakPolarHBondContact O-CB 3.48Å; Q220-E224 PolarHBondContact O-N 3.19Å
221F94.9Very high94.9Very high28 Ų2841.1 Ų41.112%0.12321%0.205CC..Hα-helixtrans-65.7-35.2177.3-87.8-124.2000112.3I217 V218 M219 E224 L225 F240 F255 E258I217-F221 HydrophobicContact CG2-CD2 3.66Å; I217-F221 HydrophobicContact CG2-CE2 3.59Å; I217-F221 WeakPolarHBondContact O-CB 3.33Å; I217-F221 WeakPolarHBondContact O-CD2 3.5Å; I217-F221 PolarHBondContact O-N 3.3Å; V218-F221 PolarHBondContact O-N 3.3Å; M219-F221 PolarHBondContact O-N 2.97Å; F221-E224 PolarHBondContact O-N 3.02Å; F221-L225 VanDerWaalsContact O-CB 3.29Å; F221-L225 WeakPolarHBondContact O-CB 3.34Å; F221-L225 PolarHBondContact O-N 3.39Å; F221-F240 HydrophobicContact CB-CD2 3.89Å; F221-F240 HydrophobicContact CB-CE2 3.44Å; F221-F240 VanDerWaalsContact CB-CE2 3.44Å; F221-F240 HydrophobicContact CB-CZ 4.14Å; F221-F240 AromaticContact CD1-CE2 3.97Å; F221-F240 HydrophobicContact CD1-CE2 3.97Å; F221-F240 HydrophobicContact CG-CE2 4.1Å; F221-F255 AromaticContact CD1-CD2 3.94Å; F221-F255 HydrophobicContact CD1-CD2 3.94Å; F221-F255 HydrophobicContact CD2-CD2 4.35Å; F221-F255 HydrophobicContact CE1-CB 4.32Å; F221-F255 AromaticContact CE1-CD2 3.85Å; F221-F255 HydrophobicContact CE1-CD2 3.85Å; F221-F255 HydrophobicContact CE2-CD2 4.28Å; F221-F255 HydrophobicContact CG-CD2 4.19Å; F221-F255 HydrophobicContact CG-CE2 4.42Å; F221-F255 HydrophobicContact CZ-CB 4.48Å; F221-F255 HydrophobicContact CZ-CD2 4.03Å; F221-E258 HydrophobicContact CE2-CB 4.13Å; F221-E258 HydrophobicContact CE2-CG 4.31Å; F221-E258 HydrophobicContact CZ-CB 4.2Å; F221-E258 HydrophobicContact CZ-CG 4.17Å
222I95.9Very high94.6Very high0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-61.5-46.6172.5-71.1162.2000110.4L178 V185 V218 M219 Q220 A226 P233 F237 F240 F241L178-I222 HydrophobicContact CD1-CD1 3.91Å; V185-I222 HydrophobicContact CG1-CG2 3.53Å; V218-I222 HydrophobicContact CG1-CD1 3.92Å; V218-I222 WeakPolarHBondContact O-CD1 3.45Å; V218-I222 VanDerWaalsContact O-CG1 3.27Å; V218-I222 WeakPolarHBondContact O-CG1 3.44Å; V218-I222 PolarHBondContact O-N 3.43Å; V218-I222 VanDerWaalsContact O-N 3.07Å; M219-I222 WeakPolarHBondContact O-CB 3.45Å; M219-I222 PolarHBondContact O-N 3.4Å; Q220-I222 VanDerWaalsContact C-N 3.33Å; Q220-I222 PolarHBondContact O-N 2.89Å; I222-A226 WeakPolarHBondContact O-CB 3.4Å; I222-A226 PolarHBondContact O-N 3.15Å; I222-P233 HydrophobicContact CG2-CB 4.45Å; I222-F237 HydrophobicContact CD1-CB 4.14Å; I222-F237 HydrophobicContact CG1-CB 4.21Å; I222-F237 HydrophobicContact CG2-CB 3.48Å; I222-F237 VanDerWaalsContact CG2-CB 3.48Å; I222-F240 HydrophobicContact CD1-CD1 4.08Å; I222-F240 HydrophobicContact CG1-CB 3.83Å; I222-F240 HydrophobicContact CG1-CD1 3.62Å; I222-F240 HydrophobicContact CG1-CE1 4.39Å; I222-F240 HydrophobicContact CG1-CG 3.7Å; I222-F241 HydrophobicContact CD1-CE2 3.87Å; I222-F241 HydrophobicContact CD1-CZ 4.14Å
223L95.8Very high94.5Very high13 Ų1344 Ų447%0.06822%0.223CC..Hα-helixtrans-66.6-38.8179.1-65.6168000111.9E187 A190 M219 Q220 A226 K227 P233E187-L223 HydrophobicContact CG-CD1 4.15Å; E187-L223 HydrophobicContact CG-CD2 4.28Å; A190-L223 HydrophobicContact CB-CD1 3.89Å; M219-L223 HydrophobicContact CG-CD1 4.17Å; M219-L223 VanDerWaalsContact O-CG 3.28Å; M219-L223 WeakPolarHBondContact O-CG 3.47Å; M219-L223 PolarHBondContact O-N 3.11Å; Q220-L223 PolarHBondContact O-N 2.78Å; L223-A226 WeakPolarHBondContact O-CB 3.35Å; L223-A226 PolarHBondContact O-N 3.13Å; L223-K227 WeakPolarHBondContact O-CG 3.5Å; L223-K227 PolarHBondContact O-N 2.91Å; L223-P233 HydrophobicContact CD2-CB 3.91Å; L223-P233 HydrophobicContact CD2-CG 3.68Å
224E93.9Very high94.4Very high113 Ų11349.1 Ų49.153%0.52824%0.243SC..Hα-helixtrans-65-47.2176-173.7176.4-178.700111.3Q220 F221 A226 K227 S228Q220-E224 WeakPolarHBondContact O-CB 3.48Å; Q220-E224 PolarHBondContact O-N 3.19Å; F221-E224 PolarHBondContact O-N 3.02Å; E224-A226 VanDerWaalsContact C-N 3.25Å; E224-A226 PolarHBondContact O-N 3.38Å; E224-K227 WeakPolarHBondContact O-CB 3.25Å; E224-K227 PolarHBondContact O-N 2.86Å; E224-K227 VanDerWaalsContact O-N 3.12Å; E224-S228 PolarHBondContact O-N 2.86Å; E224-S228 PolarHBondContact O-OG 3.45Å; E224-S228 VanDerWaalsContact O-OG 3.11Å
225L92.2Very high94.2Very high22 Ų2251.8 Ų51.812%0.11527%0.272CS..Hα-helixtrans-57.3-41.6175179.364.1000111.4F221 S228 L229 Q239 F240F221-L225 VanDerWaalsContact O-CB 3.29Å; F221-L225 WeakPolarHBondContact O-CB 3.34Å; F221-L225 PolarHBondContact O-N 3.39Å; L225-S228 PolarHBondContact O-N 3.23Å; L225-L229 HydrophobicContact CD1-CD1 3.86Å; L225-L229 HydrophobicContact CD1-CG 4.15Å; L225-L229 HydrophobicContact CG-CD1 3.95Å; L225-L229 WeakPolarHBondContact O-CB 3.38Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 2.99Å; L225-L229 PolarHBondContact O-N 3.33Å; L225-Q239 HydrophobicContact CD2-CB 4.38Å; L225-F240 HydrophobicContact CD2-CB 3.9Å
226A94.2Very high94Very high2 Ų251.9 Ų51.92%0.01727%0.272CS..Hα-helixtrans-62.5-43.917700000112.2I222 L223 E224 L229 K230 V231 P233 C236I222-A226 WeakPolarHBondContact O-CB 3.4Å; I222-A226 PolarHBondContact O-N 3.15Å; L223-A226 WeakPolarHBondContact O-CB 3.35Å; L223-A226 PolarHBondContact O-N 3.13Å; E224-A226 VanDerWaalsContact C-N 3.25Å; E224-A226 PolarHBondContact O-N 3.38Å; A226-L229 CarbonylContact O-C 3.54Å; A226-L229 PolarHBondContact O-N 3.26Å; A226-K230 WeakPolarHBondContact O-CA 3.17Å; A226-K230 PolarHBondContact O-N 3.33Å; A226-V231 PolarHBondContact O-N 3.43Å; A226-V231 VanDerWaalsContact O-N 3.11Å; A226-P233 HydrophobicContact CB-CB 3.82Å; A226-P233 HydrophobicContact CB-CG 3.58Å; A226-C236 VanDerWaalsContact CB-SG 3.55Å
227K93.4Very high93.9Very high133 Ų13352 Ų5258%0.57827%0.273SS*.Hα-helixtrans-61.9-45.6175.2-73.7173.6-177.3179.10111.4E187 L223 E224 L229 K230E187-K227 WeakPolarHBondContact OE1-CE 3.29Å; E187-K227 IonicContact OE1-NZ 3.08Å; E187-K227 PolarHBondContact OE1-NZ 3.37Å; L223-K227 WeakPolarHBondContact O-CG 3.5Å; L223-K227 PolarHBondContact O-N 2.91Å; E224-K227 WeakPolarHBondContact O-CB 3.25Å; E224-K227 PolarHBondContact O-N 2.86Å; E224-K227 VanDerWaalsContact O-N 3.12Å; K227-L229 VanDerWaalsContact C-N 3.33Å; K227-L229 PolarHBondContact O-N 3.09Å; K227-K230 PolarHBondContact O-N 2.91Å
228S92.2Very high93.9Very high91 Ų9157.2 Ų57.264%0.63629%0.293SS*.Hα-helixtrans-61.6-40.1176.9-54.90000112.4E224 L225E224-S228 PolarHBondContact O-N 2.86Å; E224-S228 PolarHBondContact O-OG 3.45Å; E224-S228 VanDerWaalsContact O-OG 3.11Å; L225-S228 PolarHBondContact O-N 3.23Å
229L91.5Very high93.7Very high78 Ų7861.8 Ų61.841%0.40831%0.314SS..Hα-helixtrans-83.3-9.1179.9-68.6177.9000113.7L225 A226 K227 V231 C236L225-L229 HydrophobicContact CD1-CD1 3.86Å; L225-L229 HydrophobicContact CD1-CG 4.15Å; L225-L229 HydrophobicContact CG-CD1 3.95Å; L225-L229 WeakPolarHBondContact O-CB 3.38Å; L225-L229 VanDerWaalsContact O-CG 3.31Å; L225-L229 WeakPolarHBondContact O-CG 2.99Å; L225-L229 PolarHBondContact O-N 3.33Å; A226-L229 CarbonylContact O-C 3.54Å; A226-L229 PolarHBondContact O-N 3.26Å; K227-L229 VanDerWaalsContact C-N 3.33Å; K227-L229 PolarHBondContact O-N 3.09Å; L229-V231 VanDerWaalsContact C-N 3.25Å; L229-V231 HydrophobicContact CB-CG1 4.44Å; L229-V231 HydrophobicContact CB-CG2 3.78Å; L229-V231 HydrophobicContact CD1-CG2 4.47Å; L229-V231 PolarHBondContact O-N 3.49Å; L229-C236 HydrophobicContact CD1-CB 4.45Å
230K90.1Very high93.5Very high194 Ų19461.8 Ų61.884%0.84331%0.314SS*.THydrogen-bonded Turntrans54.340-174.2-55.8179.9-179.9-179.90112.9A226 K227A226-K230 WeakPolarHBondContact O-CA 3.17Å; A226-K230 PolarHBondContact O-N 3.33Å; K227-K230 PolarHBondContact O-N 2.91Å
231V90.3Very high93.4Very high72 Ų7258.8 Ų58.844%0.43630%0.3SS..SBendtrans-122.3160.9177.5-61.90000110.3A226 L229 C236A226-V231 PolarHBondContact O-N 3.43Å; A226-V231 VanDerWaalsContact O-N 3.11Å; L229-V231 VanDerWaalsContact C-N 3.25Å; L229-V231 HydrophobicContact CB-CG1 4.44Å; L229-V231 HydrophobicContact CB-CG2 3.78Å; L229-V231 HydrophobicContact CD1-CG2 4.47Å; L229-V231 PolarHBondContact O-N 3.49Å; V231-C236 HydrophobicContact CG2-CB 3.7Å
232D90.7Very high93.3Very high80 Ų8060.9 Ų60.943%0.42832%0.318SS..  trans-62.1130.2172-172.2-58.9000109.9R234 G235D232-R234 PolarHBondContact O-N 2.95Å; D232-R234 VanDerWaalsContact O-N 3.11Å; D232-R234 WeakPolarHBondContact OD1-CB 3.49Å; D232-R234 WeakPolarHBondContact OD1-CG 3.32Å; D232-R234 PolarHBondContact OD1-N 3.22Å; D232-G235 WeakPolarHBondContact O-CA 3.45Å; D232-G235 PolarHBondContact O-N 3.43Å
233P94.8Very high93Very high30 Ų3065.3 Ų65.320%0.19534%0.337CS..Hα-helixtrans-51.6-34.7178.6-25.230.7000114.2V185 I222 L223 A226 G235 C236 F237V185-P233 HydrophobicContact CG1-CB 3.71Å; I222-P233 HydrophobicContact CG2-CB 4.45Å; L223-P233 HydrophobicContact CD2-CB 3.91Å; L223-P233 HydrophobicContact CD2-CG 3.68Å; A226-P233 HydrophobicContact CB-CB 3.82Å; A226-P233 HydrophobicContact CB-CG 3.58Å; P233-G235 PolarHBondContact O-N 2.92Å; P233-C236 PolarHBondContact O-N 3.47Å; P233-C236 VanDerWaalsContact O-N 3.16Å; P233-F237 PolarHBondContact O-N 3.21Å
234R94.4Very high92.7Very high108 Ų10865 Ų6541%0.40834%0.336SS..Hα-helixtrans-67.4-22.8179.6-54.8170.4176.3168.5-1.8112P182 V185 D232 F237P182-R234 WeakPolarHBondContact O-CG 3.27Å; V185-R234 HydrophobicContact CB-CG 4.12Å; D232-R234 PolarHBondContact O-N 2.95Å; D232-R234 VanDerWaalsContact O-N 3.11Å; D232-R234 WeakPolarHBondContact OD1-CB 3.49Å; D232-R234 WeakPolarHBondContact OD1-CG 3.32Å; D232-R234 PolarHBondContact OD1-N 3.22Å; R234-F237 VanDerWaalsContact O-CD1 3.3Å; R234-F237 WeakPolarHBondContact O-CD1 3.48Å; R234-F237 WeakPolarHBondContact O-CE1 3.45Å
235G92.6Very high92.4Very high61 Ų6163.7 Ų63.763%0.62933%0.328SS*.Hα-helixtrans-83.7-23.2175.300000114D232 P233D232-G235 WeakPolarHBondContact O-CA 3.45Å; D232-G235 PolarHBondContact O-N 3.43Å; P233-G235 PolarHBondContact O-N 2.92Å
236C94.3Very high92.2Very high2 Ų268 Ų681%0.01436%0.355CS..Hα-helixtrans-121-7.5-170.869.50000115.7A226 L229 V231 P233 R238 Q239A226-C236 VanDerWaalsContact CB-SG 3.55Å; L229-C236 HydrophobicContact CD1-CB 4.45Å; V231-C236 HydrophobicContact CG2-CB 3.7Å; P233-C236 PolarHBondContact O-N 3.47Å; P233-C236 VanDerWaalsContact O-N 3.16Å; C236-R238 PolarHBondContact O-N 3.42Å; C236-R238 VanDerWaalsContact O-N 3.07Å; C236-Q239 VanDerWaalsContact O-CB 3.29Å; C236-Q239 WeakPolarHBondContact O-CB 3.48Å; C236-Q239 PolarHBondContact O-N 3.01Å
237F95.4Very high91.6Very high1 Ų168.9 Ų68.90%0.00436%0.363CS..Hα-helixtrans-55-32.6-177.376.7-87.3000114.1L178 V185 I222 P233 R234 Q239 F240 F241L178-F237 HydrophobicContact CB-CD2 3.95Å; L178-F237 HydrophobicContact CB-CE2 3.67Å; L178-F237 HydrophobicContact CB-CZ 4.31Å; L178-F237 HydrophobicContact CD1-CD2 4.29Å; V185-F237 HydrophobicContact CG1-CB 4.09Å; V185-F237 HydrophobicContact CG2-CB 4.43Å; V185-F237 HydrophobicContact CG2-CD1 4.23Å; V185-F237 HydrophobicContact CG2-CG 4.21Å; I222-F237 HydrophobicContact CD1-CB 4.14Å; I222-F237 HydrophobicContact CG1-CB 4.21Å; I222-F237 HydrophobicContact CG2-CB 3.48Å; I222-F237 VanDerWaalsContact CG2-CB 3.48Å; P233-F237 PolarHBondContact O-N 3.21Å; R234-F237 VanDerWaalsContact O-CD1 3.3Å; R234-F237 WeakPolarHBondContact O-CD1 3.48Å; R234-F237 WeakPolarHBondContact O-CE1 3.45Å; F237-Q239 PolarHBondContact O-N 3.31Å; F237-F240 WeakPolarHBondContact O-CB 3.43Å; F237-F240 PolarHBondContact O-N 3.25Å; F237-F241 HydrophobicContact CD2-CD2 4.2Å; F237-F241 HydrophobicContact CD2-CE2 4.01Å; F237-F241 VanDerWaalsContact O-CD2 3.25Å; F237-F241 WeakPolarHBondContact O-CD2 3.12Å; F237-F241 PolarHBondContact O-N 2.92Å
238R95.2Very high91Very high112 Ų11268.7 Ų68.742%0.42337%0.368SS..Hα-helixtrans-64.2-30.6176.1-63.4-174.3-178.487.70.4112.7S179 C236 F240 F241 S242S179-R238 PolarHBondContact OG-NE 3.38Å; S179-R238 PolarHBondContact OG-NH2 3.33Å; S179-R238 VanDerWaalsContact OG-NH2 3.13Å; C236-R238 PolarHBondContact O-N 3.42Å; C236-R238 VanDerWaalsContact O-N 3.07Å; R238-F240 VanDerWaalsContact C-N 3.33Å; R238-F241 PolarHBondContact O-N 2.89Å; R238-S242 PolarHBondContact O-N 3.22Å
239Q92.6Very high90.8Very high95 Ų9570 Ų7044%0.44436%0.364SS..Hα-helixtrans-69-34.4176.7-58.2-176.921.500111.2L225 C236 F237 S242 K243L225-Q239 HydrophobicContact CD2-CB 4.38Å; C236-Q239 VanDerWaalsContact O-CB 3.29Å; C236-Q239 WeakPolarHBondContact O-CB 3.48Å; C236-Q239 PolarHBondContact O-N 3.01Å; F237-Q239 PolarHBondContact O-N 3.31Å; Q239-S242 PolarHBondContact O-N 3.15Å; Q239-K243 WeakPolarHBondContact O-CB 3.18Å; Q239-K243 WeakPolarHBondContact O-CG 3.43Å; Q239-K243 PolarHBondContact O-N 2.99Å
240F93.9Very high90.6Very high0 Ų074.1 Ų74.10%038%0.381CS..Hα-helixtrans-58.4-51171.3165.6-94.2000110.6W171 V218 F221 I222 L225 F237 R238 S242 K243 I244 F255W171-F240 HydrophobicContact CZ3-CE1 4.42Å; V218-F240 HydrophobicContact CB-CE1 4.47Å; V218-F240 HydrophobicContact CG1-CD1 4.46Å; V218-F240 HydrophobicContact CG1-CE1 3.77Å; V218-F240 HydrophobicContact CG1-CZ 4.43Å; V218-F240 HydrophobicContact CG2-CE1 4.5Å; F221-F240 HydrophobicContact CB-CD2 3.89Å; F221-F240 HydrophobicContact CB-CE2 3.44Å; F221-F240 VanDerWaalsContact CB-CE2 3.44Å; F221-F240 HydrophobicContact CB-CZ 4.14Å; F221-F240 AromaticContact CD1-CE2 3.97Å; F221-F240 HydrophobicContact CD1-CE2 3.97Å; F221-F240 HydrophobicContact CG-CE2 4.1Å; I222-F240 HydrophobicContact CD1-CD1 4.08Å; I222-F240 HydrophobicContact CG1-CB 3.83Å; I222-F240 HydrophobicContact CG1-CD1 3.62Å; I222-F240 HydrophobicContact CG1-CE1 4.39Å; I222-F240 HydrophobicContact CG1-CG 3.7Å; L225-F240 HydrophobicContact CD2-CB 3.9Å; F237-F240 WeakPolarHBondContact O-CB 3.43Å; F237-F240 PolarHBondContact O-N 3.25Å; R238-F240 VanDerWaalsContact C-N 3.33Å; F240-S242 VanDerWaalsContact C-N 3.31Å; F240-S242 PolarHBondContact O-N 3.14Å; F240-K243 PolarHBondContact O-N 3.45Å; F240-K243 VanDerWaalsContact O-N 3.1Å; F240-I244 HydrophobicContact CE1-CG2 4.28Å; F240-I244 HydrophobicContact CZ-CB 4.28Å; F240-I244 HydrophobicContact CZ-CG1 4.41Å; F240-I244 HydrophobicContact CZ-CG2 4.44Å; F240-I244 PolarHBondContact O-N 3.33Å; F240-F255 HydrophobicContact CZ-CE2 4.2Å
241F93.9Very high90.4Very high0 Ų068.7 Ų68.70%036%0.356CS..Hα-helixtrans-64.3-34.7178.8-69.2-75.5000113W171 Q175 L178 V218 I222 F237 R238 I244 K245W171-F241 HydrophobicContact CB-CD1 4.34Å; W171-F241 HydrophobicContact CE3-CD1 4.05Å; W171-F241 AromaticContact CE3-CE1 3.95Å; W171-F241 HydrophobicContact CE3-CE1 3.95Å; Q175-F241 HydrophobicContact CB-CB 4.17Å; Q175-F241 HydrophobicContact CB-CD1 4.05Å; Q175-F241 HydrophobicContact CB-CD2 3.74Å; Q175-F241 HydrophobicContact CB-CE1 4.39Å; Q175-F241 HydrophobicContact CB-CE2 4.12Å; Q175-F241 HydrophobicContact CB-CG 3.71Å; Q175-F241 HydrophobicContact CB-CZ 4.42Å; Q175-F241 HydrophobicContact CG-CB 4.08Å; Q175-F241 HydrophobicContact CG-CD2 3.8Å; Q175-F241 HydrophobicContact CG-CE2 4.48Å; Q175-F241 HydrophobicContact CG-CG 3.98Å; Q175-F241 VanDerWaalsContact OE1-CB 3.3Å; L178-F241 HydrophobicContact CD1-CE2 3.92Å; L178-F241 HydrophobicContact CD1-CZ 4.05Å; V218-F241 HydrophobicContact CG1-CE1 4.06Å; V218-F241 HydrophobicContact CG1-CZ 3.8Å; I222-F241 HydrophobicContact CD1-CE2 3.87Å; I222-F241 HydrophobicContact CD1-CZ 4.14Å; F237-F241 HydrophobicContact CD2-CD2 4.2Å; F237-F241 HydrophobicContact CD2-CE2 4.01Å; F237-F241 VanDerWaalsContact O-CD2 3.25Å; F237-F241 WeakPolarHBondContact O-CD2 3.12Å; F237-F241 PolarHBondContact O-N 2.92Å; R238-F241 PolarHBondContact O-N 2.89Å; F241-I244 WeakPolarHBondContact O-CG2 3.44Å; F241-K245 WeakPolarHBondContact O-CB 3.41Å; F241-K245 VanDerWaalsContact O-CD 3.31Å; F241-K245 WeakPolarHBondContact O-CD 3.45Å; F241-K245 WeakPolarHBondContact O-CG 3.49Å; F241-K245 PolarHBondContact O-N 3.44Å
242S91.9Very high90.3Very high72 Ų7268.7 Ų68.750%0.50335%0.351SS..Hα-helixtrans-63.4-45.6172.2-169.80000111R238 Q239 F240 T246R238-S242 PolarHBondContact O-N 3.22Å; Q239-S242 PolarHBondContact O-N 3.15Å; F240-S242 VanDerWaalsContact C-N 3.31Å; F240-S242 PolarHBondContact O-N 3.14Å; S242-T246 PolarHBondContact O-N 3.28Å; S242-T246 PolarHBondContact O-OG1 3.39Å; S242-T246 VanDerWaalsContact O-OG1 3.04Å
243K89.5Confident90.3Very high93 Ų9368 Ų6840%0.40435%0.348SS..Hα-helixtrans-63.7-54.2179.8-76.5-178.5-179.9-173.80111Q239 F240 K245 T246 A247Q239-K243 WeakPolarHBondContact O-CB 3.18Å; Q239-K243 WeakPolarHBondContact O-CG 3.43Å; Q239-K243 PolarHBondContact O-N 2.99Å; F240-K243 PolarHBondContact O-N 3.45Å; F240-K243 VanDerWaalsContact O-N 3.1Å; K243-K245 PolarHBondContact O-N 3.43Å; K243-T246 CarbonylContact O-C 3.58Å; K243-T246 PolarHBondContact O-N 3.46Å; K243-T246 PolarHBondContact O-OG1 2.92Å; K243-A247 WeakPolarHBondContact O-CA 3.33Å; K243-A247 WeakPolarHBondContact O-CB 3.36Å; K243-A247 PolarHBondContact O-N 2.84Å
244I89.3Confident90.1Very high7 Ų768.8 Ų68.84%0.03636%0.357CS..Hα-helixtrans-60.2-31.6-175.8-162.169.8000112.5W171 F240 F241 Y251 F255W171-I244 HydrophobicContact CD2-CG2 4.14Å; W171-I244 HydrophobicContact CE3-CG2 4.17Å; W171-I244 HydrophobicContact CH2-CG1 4.14Å; W171-I244 HydrophobicContact CZ2-CG1 4.02Å; W171-I244 HydrophobicContact CZ3-CG2 4.47Å; F240-I244 HydrophobicContact CE1-CG2 4.28Å; F240-I244 HydrophobicContact CZ-CB 4.28Å; F240-I244 HydrophobicContact CZ-CG1 4.41Å; F240-I244 HydrophobicContact CZ-CG2 4.44Å; F240-I244 PolarHBondContact O-N 3.33Å; F241-I244 WeakPolarHBondContact O-CG2 3.44Å; I244-Y251 HydrophobicContact CD1-CD1 3.79Å; I244-Y251 HydrophobicContact CD1-CE1 3.6Å; I244-F255 HydrophobicContact CD1-CB 4.31Å; I244-F255 HydrophobicContact CD1-CD2 4.33Å; I244-F255 HydrophobicContact CD1-CG 4.26Å
245K88.8Confident89.9Confident85 Ų8563.9 Ų63.937%0.3734%0.338SS..Hα-helixtrans-73.7-31177-73.3171.9-178.4173.60113.6W171 D172 F241 K243W171-K245 VanDerWaalsContact CB-CE 3.46Å; W171-K245 HydrophobicContact CB-CG 4.3Å; D172-K245 VanDerWaalsContact OD1-CE 3.29Å; D172-K245 WeakPolarHBondContact OD1-CE 3.47Å; D172-K245 IonicContact OD1-NZ 3.22Å; D172-K245 PolarHBondContact OD1-NZ 3.28Å; F241-K245 WeakPolarHBondContact O-CB 3.41Å; F241-K245 VanDerWaalsContact O-CD 3.31Å; F241-K245 WeakPolarHBondContact O-CD 3.45Å; F241-K245 WeakPolarHBondContact O-CG 3.49Å; F241-K245 PolarHBondContact O-N 3.44Å; K243-K245 PolarHBondContact O-N 3.43Å
246T87.8Confident90Very high111 Ų11164.3 Ų64.368%0.68133%0.326SS*.Hα-helixtrans-108.79.3-178.865.30000112.4S242 K243S242-T246 PolarHBondContact O-N 3.28Å; S242-T246 PolarHBondContact O-OG1 3.39Å; S242-T246 VanDerWaalsContact O-OG1 3.04Å; K243-T246 CarbonylContact O-C 3.58Å; K243-T246 PolarHBondContact O-N 3.46Å; K243-T246 PolarHBondContact O-OG1 2.92Å
247A81.8Confident90Very high21 Ų2169.3 Ų69.317%0.17435%0.353CS..  trans-78.5145.1-17200000111.3K243 Y251 Q252K243-A247 WeakPolarHBondContact O-CA 3.33Å; K243-A247 WeakPolarHBondContact O-CB 3.36Å; K243-A247 PolarHBondContact O-N 2.84Å; A247-Y251 HydrophobicContact CB-CD1 3.46Å; A247-Y251 VanDerWaalsContact CB-CD1 3.46Å; A247-Y251 HydrophobicContact CB-CE1 4.37Å; A247-Y251 HydrophobicContact CB-CG 3.94Å; A247-Q252 PolarHBondContact O-NE2 3.29Å
248D81.1Confident89.9Confident130 Ų13073.5 Ų73.570%0.69537%0.373SS*.  trans-60155.1170.7-67.2-34.4000111.2Q250 Y251 Q252D248-Q250 PolarHBondContact O-N 2.82Å; D248-Q250 VanDerWaalsContact O-N 3.09Å; D248-Y251 PolarHBondContact O-N 3.26Å; D248-Q252 PolarHBondContact O-N 3.04Å
249Q86.1Confident89.9Confident117 Ų11768.4 Ų68.455%0.54735%0.353SS..Hα-helixtrans-50.9-39.2-177.8-170.461.844.800112.3Y251 Q252 D253Q249-Y251 VanDerWaalsContact C-N 3.27Å; Q249-Y251 PolarHBondContact O-N 3.07Å; Q249-Q252 PolarHBondContact O-N 2.92Å; Q249-Q252 VanDerWaalsContact O-N 3.1Å; Q249-D253 PolarHBondContact NE2-OD1 2.91Å; Q249-D253 WeakPolarHBondContact O-CB 3.49Å; Q249-D253 PolarHBondContact O-N 2.66Å
250Q87.4Confident90.1Very high165 Ų16568 Ų6877%0.77135%0.352SS*.Hα-helixtrans-57.2-36178.5-67.3-179-10.100113.8D248 A254D248-Q250 PolarHBondContact O-N 2.82Å; D248-Q250 VanDerWaalsContact O-N 3.09Å; Q250-A254 WeakPolarHBondContact O-CB 3.48Å; Q250-A254 PolarHBondContact O-N 3.17Å
251Y86.7Confident90.3Very high81 Ų8170.7 Ų70.732%0.31837%0.37SS..Hα-helixtrans-77.6-34.4179.4-173.5-97.6000111.6I244 A247 D248 Q249 F255I244-Y251 HydrophobicContact CD1-CD1 3.79Å; I244-Y251 HydrophobicContact CD1-CE1 3.6Å; A247-Y251 HydrophobicContact CB-CD1 3.46Å; A247-Y251 VanDerWaalsContact CB-CD1 3.46Å; A247-Y251 HydrophobicContact CB-CE1 4.37Å; A247-Y251 HydrophobicContact CB-CG 3.94Å; D248-Y251 PolarHBondContact O-N 3.26Å; Q249-Y251 VanDerWaalsContact C-N 3.27Å; Q249-Y251 PolarHBondContact O-N 3.07Å; Y251-F255 PolarHBondContact O-N 3.45Å
252Q87.4Confident90.4Very high71 Ų7171.2 Ų71.233%0.33237%0.372SS..Hα-helixtrans-67.4-40.5172.9-62.2-17631.200110.9A247 D248 Q249 F255 N256A247-Q252 PolarHBondContact O-NE2 3.29Å; D248-Q252 PolarHBondContact O-N 3.04Å; Q249-Q252 PolarHBondContact O-N 2.92Å; Q249-Q252 VanDerWaalsContact O-N 3.1Å; Q252-F255 WeakPolarHBondContact O-CB 3.26Å; Q252-F255 PolarHBondContact O-N 3.5Å; Q252-N256 VanDerWaalsContact O-CG 3.23Å; Q252-N256 PolarHBondContact O-N 2.93Å; Q252-N256 PolarHBondContact O-ND2 2.93Å; Q252-N256 VanDerWaalsContact O-ND2 3.09Å
253D90.8Very high90.5Very high66 Ų6668.4 Ų68.435%0.35335%0.351SS..Hα-helixtrans-62.4-47.3175.8-62.8-17.5000110.3Q249 F255 N256 D257Q249-D253 PolarHBondContact NE2-OD1 2.91Å; Q249-D253 WeakPolarHBondContact O-CB 3.49Å; Q249-D253 PolarHBondContact O-N 2.66Å; D253-F255 VanDerWaalsContact C-N 3.31Å; D253-F255 PolarHBondContact O-N 2.97Å; D253-N256 PolarHBondContact O-N 3.17Å; D253-N256 VanDerWaalsContact O-N 3.07Å; D253-D257 VanDerWaalsContact O-CG 3.31Å; D253-D257 PolarHBondContact O-N 3.4Å
254A90.6Very high90.9Very high47 Ų4769.2 Ų69.239%0.38836%0.356SS..Hα-helixtrans-59.3-39.3175.200000113Q250 E258Q250-A254 WeakPolarHBondContact O-CB 3.48Å; Q250-A254 PolarHBondContact O-N 3.17Å; A254-E258 PolarHBondContact O-N 2.73Å; A254-E258 VanDerWaalsContact O-N 3.1Å
255F91.9Very high91.1Very high4 Ų474.5 Ų74.52%0.01838%0.376CS..Hα-helixtrans-63.7-42.5174177.9-88000111.9W171 H214 I217 V218 F221 F240 I244 Y251 Q252 D253 L259W171-F255 HydrophobicContact CH2-CE1 4.05Å; W171-F255 AromaticContact CH2-CZ 3.93Å; W171-F255 HydrophobicContact CH2-CZ 3.93Å; H214-F255 AromaticContact CD2-CE1 3.88Å; H214-F255 AromaticContact NE2-CE1 3.85Å; I217-F255 HydrophobicContact CB-CE2 4.35Å; I217-F255 HydrophobicContact CB-CZ 4.34Å; I217-F255 HydrophobicContact CG2-CD2 4.03Å; I217-F255 HydrophobicContact CG2-CE2 3.57Å; I217-F255 HydrophobicContact CG2-CZ 3.93Å; V218-F255 HydrophobicContact CG2-CE2 4.22Å; V218-F255 HydrophobicContact CG2-CZ 3.85Å; F221-F255 AromaticContact CD1-CD2 3.94Å; F221-F255 HydrophobicContact CD1-CD2 3.94Å; F221-F255 HydrophobicContact CD2-CD2 4.35Å; F221-F255 HydrophobicContact CE1-CB 4.32Å; F221-F255 AromaticContact CE1-CD2 3.85Å; F221-F255 HydrophobicContact CE1-CD2 3.85Å; F221-F255 HydrophobicContact CE2-CD2 4.28Å; F221-F255 HydrophobicContact CG-CD2 4.19Å; F221-F255 HydrophobicContact CG-CE2 4.42Å; F221-F255 HydrophobicContact CZ-CB 4.48Å; F221-F255 HydrophobicContact CZ-CD2 4.03Å; F240-F255 HydrophobicContact CZ-CE2 4.2Å; I244-F255 HydrophobicContact CD1-CB 4.31Å; I244-F255 HydrophobicContact CD1-CD2 4.33Å; I244-F255 HydrophobicContact CD1-CG 4.26Å; Y251-F255 PolarHBondContact O-N 3.45Å; Q252-F255 WeakPolarHBondContact O-CB 3.26Å; Q252-F255 PolarHBondContact O-N 3.5Å; D253-F255 VanDerWaalsContact C-N 3.31Å; D253-F255 PolarHBondContact O-N 2.97Å; F255-L259 WeakPolarHBondContact O-CB 3.2Å; F255-L259 PolarHBondContact O-N 2.92Å
256N92.9Very high91.4Very high71 Ų7170.5 Ų70.538%0.3836%0.359SS..Hα-helixtrans-68.4-39.1178.6-68.9-35.3000112Q252 D253 L259 E260Q252-N256 VanDerWaalsContact O-CG 3.23Å; Q252-N256 PolarHBondContact O-N 2.93Å; Q252-N256 PolarHBondContact O-ND2 2.93Å; Q252-N256 VanDerWaalsContact O-ND2 3.09Å; D253-N256 PolarHBondContact O-N 3.17Å; D253-N256 VanDerWaalsContact O-N 3.07Å; N256-L259 WeakPolarHBondContact O-CB 3.33Å; N256-L259 PolarHBondContact O-N 3.03Å; N256-E260 PolarHBondContact O-N 2.65Å
257D94.9Very high91.7Very high107 Ų10768.1 Ų68.157%0.57234%0.337SS*.Hα-helixtrans-63.3-41.6176.6-71.8-17.5000111.5D253 S261D253-D257 VanDerWaalsContact O-CG 3.31Å; D253-D257 PolarHBondContact O-N 3.4Å; D257-S261 VanDerWaalsContact O-CB 3.25Å; D257-S261 WeakPolarHBondContact O-CB 3.25Å; D257-S261 PolarHBondContact O-N 3.4Å; D257-S261 PolarHBondContact O-OG 3.15Å
258E94.6Very high92.3Very high89 Ų8968.7 Ų68.742%0.41635%0.345SS..Hα-helixtrans-66.3-37.6173.3-80.2-63.2163.600112.2F221 A254 F262 R265F221-E258 HydrophobicContact CE2-CB 4.13Å; F221-E258 HydrophobicContact CE2-CG 4.31Å; F221-E258 HydrophobicContact CZ-CB 4.2Å; F221-E258 HydrophobicContact CZ-CG 4.17Å; A254-E258 PolarHBondContact O-N 2.73Å; A254-E258 VanDerWaalsContact O-N 3.1Å; E258-F262 VanDerWaalsContact O-CB 3.26Å; E258-F262 WeakPolarHBondContact O-CB 3.46Å; E258-F262 PolarHBondContact O-N 3.29Å; E258-R265 IonicContact OE2-NH2 2.61Å
259L95.1Very high92.9Very high4 Ų470 Ų702%0.02134%0.34CS..Hα-helixtrans-64-47175.7175.659000112A213 H214 I217 F255 N256 F262 K263A213-L259 HydrophobicContact CB-CD1 4Å; H214-L259 HydrophobicContact CB-CD1 4.4Å; H214-L259 HydrophobicContact CB-CD2 4.22Å; I217-L259 HydrophobicContact CB-CD1 4.49Å; I217-L259 HydrophobicContact CG1-CB 4.42Å; I217-L259 HydrophobicContact CG1-CD1 3.87Å; F255-L259 WeakPolarHBondContact O-CB 3.2Å; F255-L259 PolarHBondContact O-N 2.92Å; N256-L259 WeakPolarHBondContact O-CB 3.33Å; N256-L259 PolarHBondContact O-N 3.03Å; L259-F262 WeakPolarHBondContact O-CB 3.37Å; L259-F262 PolarHBondContact O-N 3.43Å; L259-K263 WeakPolarHBondContact O-CG 3.47Å; L259-K263 PolarHBondContact O-N 3.49Å
260E96.5Very high93.2Very high88 Ų8864.6 Ų64.641%0.41132%0.315SS..Hα-helixtrans-66.2-42.1177-70.4-53.5135.200111.5N256 F262 K263 E264N256-E260 PolarHBondContact O-N 2.65Å; E260-F262 PolarHBondContact O-N 2.95Å; E260-K263 PolarHBondContact O-N 2.9Å; E260-K263 WeakPolarHBondContact OE1-CE 3.48Å; E260-K263 IonicContact OE1-NZ 3.62Å; E260-K263 PolarHBondContact OE1-NZ 2.98Å; E260-K263 IonicContact OE2-NZ 3.52Å; E260-E264 PolarHBondContact O-N 3.34Å
261S96.6Very high93.4Very high55 Ų5563.1 Ų63.139%0.38531%0.306SS..Hα-helixtrans-58.9-37.3173.2-62.50000112D257 R265D257-S261 VanDerWaalsContact O-CB 3.25Å; D257-S261 WeakPolarHBondContact O-CB 3.25Å; D257-S261 PolarHBondContact O-N 3.4Å; D257-S261 PolarHBondContact O-OG 3.15Å; S261-R265 WeakPolarHBondContact O-CG 3.5Å; S261-R265 PolarHBondContact O-N 2.87Å; S261-R265 VanDerWaalsContact O-N 3.15Å
262F96.6Very high93.6Very high11 Ų1164.7 Ų64.75%0.04832%0.319CS..Hα-helixtrans-68.3-45175177.1-100000112.4V194 C197 A213 T216 I217 E258 L259 E260 E264 R265 V266V194-F262 HydrophobicContact CB-CZ 4.39Å; V194-F262 HydrophobicContact CG1-CE2 4.27Å; V194-F262 HydrophobicContact CG1-CZ 4.31Å; V194-F262 HydrophobicContact CG2-CE2 3.88Å; V194-F262 HydrophobicContact CG2-CZ 3.9Å; C197-F262 HydrophobicContact CB-CE1 4.46Å; A213-F262 HydrophobicContact CB-CD1 3.83Å; A213-F262 HydrophobicContact CB-CE1 3.77Å; T216-F262 HydrophobicContact CG2-CE1 4.17Å; T216-F262 HydrophobicContact CG2-CE2 4.27Å; T216-F262 HydrophobicContact CG2-CZ 3.75Å; I217-F262 HydrophobicContact CD1-CB 3.56Å; I217-F262 HydrophobicContact CD1-CD1 4.2Å; I217-F262 HydrophobicContact CD1-CD2 4.13Å; I217-F262 HydrophobicContact CD1-CG 3.7Å; I217-F262 HydrophobicContact CG1-CB 4.17Å; I217-F262 HydrophobicContact CG1-CD1 4.22Å; I217-F262 HydrophobicContact CG1-CG 4.21Å; E258-F262 VanDerWaalsContact O-CB 3.26Å; E258-F262 WeakPolarHBondContact O-CB 3.46Å; E258-F262 PolarHBondContact O-N 3.29Å; L259-F262 WeakPolarHBondContact O-CB 3.37Å; L259-F262 PolarHBondContact O-N 3.43Å; E260-F262 PolarHBondContact O-N 2.95Å; F262-E264 VanDerWaalsContact C-N 3.3Å; F262-E264 PolarHBondContact O-N 3.09Å; F262-R265 WeakPolarHBondContact O-CB 3.3Å; F262-R265 PolarHBondContact O-N 3.24Å; F262-R265 VanDerWaalsContact O-N 3.15Å; F262-V266 HydrophobicContact CD1-CG2 4.12Å; F262-V266 HydrophobicContact CE1-CG2 3.61Å; F262-V266 HydrophobicContact CE2-CG2 4.08Å; F262-V266 HydrophobicContact CZ-CG2 3.58Å; F262-V266 WeakPolarHBondContact O-CG2 3.47Å; F262-V266 PolarHBondContact O-N 2.82Å
263K95Very high93.7Very high13 Ų1367.2 Ų67.26%0.05733%0.325CS..Hα-helixtrans-57.3-44175.5-70.9176-173.3177.70111.4M209 E210 A213 L259 E260 R265 V266 R267M209-K263 HydrophobicContact SD-CG 4.43Å; E210-K263 HydrophobicContact CG-CD 4.01Å; E210-K263 IonicContact OE2-NZ 2.96Å; E210-K263 PolarHBondContact OE2-NZ 3.01Å; A213-K263 HydrophobicContact CB-CG 4.14Å; L259-K263 WeakPolarHBondContact O-CG 3.47Å; L259-K263 PolarHBondContact O-N 3.49Å; E260-K263 PolarHBondContact O-N 2.9Å; E260-K263 WeakPolarHBondContact OE1-CE 3.48Å; E260-K263 IonicContact OE1-NZ 3.62Å; E260-K263 PolarHBondContact OE1-NZ 2.98Å; E260-K263 IonicContact OE2-NZ 3.52Å; K263-R265 PolarHBondContact O-N 3.49Å; K263-V266 WeakPolarHBondContact O-CB 3.36Å; K263-V266 PolarHBondContact O-N 3.45Å; K263-V266 VanDerWaalsContact O-N 3.17Å; K263-R267 WeakPolarHBondContact O-CG 3.42Å; K263-R267 PolarHBondContact O-N 3.02Å
264E96.4Very high93.5Very high110 Ų11067.3 Ų67.351%0.51433%0.325SS..Hα-helixtrans-61.4-41.9176.1-74.3-56.5122.700112.4E260 F262 V266 R267 G268E260-E264 PolarHBondContact O-N 3.34Å; F262-E264 VanDerWaalsContact C-N 3.3Å; F262-E264 PolarHBondContact O-N 3.09Å; E264-V266 VanDerWaalsContact C-N 3.33Å; E264-V266 PolarHBondContact O-N 3.41Å; E264-R267 PolarHBondContact O-N 3.37Å; E264-R267 IonicContact OE1-CZ 2.78Å; E264-R267 IonicContact OE1-NH1 2.69Å; E264-R267 PolarHBondContact OE1-NH1 3.17Å; E264-G268 PolarHBondContact O-N 2.92Å
265R95.3Very high93.4Very high118 Ų11871 Ų7145%0.44533%0.334SS..Hα-helixtrans-62.7-38.6174.2-71.1-175.4-59.2-105.29112.2E258 S261 F262 K263 R269E258-R265 IonicContact OE2-NH2 2.61Å; S261-R265 WeakPolarHBondContact O-CG 3.5Å; S261-R265 PolarHBondContact O-N 2.87Å; S261-R265 VanDerWaalsContact O-N 3.15Å; F262-R265 WeakPolarHBondContact O-CB 3.3Å; F262-R265 PolarHBondContact O-N 3.24Å; F262-R265 VanDerWaalsContact O-N 3.15Å; K263-R265 PolarHBondContact O-N 3.49Å; R265-R269 WeakPolarHBondContact O-CG 3.19Å; R265-R269 PolarHBondContact O-N 3.39Å
266V94.9Very high93.3Very high2 Ų277.2 Ų77.21%0.01236%0.361CS..Hα-helixtrans-64.6-49.3176.3171.10000110.4C197 I198 E201 M209 F262 K263 E264 G268 R269 A270C197-V266 HydrophobicContact CB-CG1 3.96Å; C197-V266 HydrophobicContact CB-CG2 4Å; C197-V266 WeakPolarHBondContact O-CG1 3.34Å; I198-V266 HydrophobicContact CG1-CG1 4.22Å; E201-V266 HydrophobicContact CB-CG1 4.13Å; M209-V266 HydrophobicContact CG-CG1 4.06Å; M209-V266 HydrophobicContact SD-CG1 4.15Å; F262-V266 HydrophobicContact CD1-CG2 4.12Å; F262-V266 HydrophobicContact CE1-CG2 3.61Å; F262-V266 HydrophobicContact CE2-CG2 4.08Å; F262-V266 HydrophobicContact CZ-CG2 3.58Å; F262-V266 WeakPolarHBondContact O-CG2 3.47Å; F262-V266 PolarHBondContact O-N 2.82Å; K263-V266 WeakPolarHBondContact O-CB 3.36Å; K263-V266 PolarHBondContact O-N 3.45Å; K263-V266 VanDerWaalsContact O-N 3.17Å; E264-V266 VanDerWaalsContact C-N 3.33Å; E264-V266 PolarHBondContact O-N 3.41Å; V266-G268 VanDerWaalsContact C-N 3.31Å; V266-G268 PolarHBondContact O-N 3.01Å; V266-R269 PolarHBondContact O-N 3.14Å; V266-R269 VanDerWaalsContact O-N 3.14Å; V266-A270 WeakPolarHBondContact O-CB 3.36Å; V266-A270 PolarHBondContact O-N 3.44Å
267R93.9Very high92.9Very high61 Ų6176.4 Ų76.423%0.2336%0.364CS..Hα-helixtrans-55.8-45.1175.7-70.2171.7-177.91533.6111.6M209 E210 K263 E264 A270 K271M209-R267 HydrophobicContact CE-CG 4.49Å; E210-R267 IonicContact OE1-NH2 2.62Å; E210-R267 PolarHBondContact OE1-NH2 3.02Å; E210-R267 VanDerWaalsContact OE1-NH2 3.15Å; K263-R267 WeakPolarHBondContact O-CG 3.42Å; K263-R267 PolarHBondContact O-N 3.02Å; E264-R267 PolarHBondContact O-N 3.37Å; E264-R267 IonicContact OE1-CZ 2.78Å; E264-R267 IonicContact OE1-NH1 2.69Å; E264-R267 PolarHBondContact OE1-NH1 3.17Å; R267-A270 PolarHBondContact O-N 3.15Å; R267-K271 WeakPolarHBondContact O-CG 3.22Å; R267-K271 PolarHBondContact O-N 2.76Å
268G93.8Very high92.3Very high32 Ų3277.2 Ų77.233%0.3337%0.367SS..Hα-helixtrans-61.2-44.117600000113.1E264 V266 K271 I272E264-G268 PolarHBondContact O-N 2.92Å; V266-G268 VanDerWaalsContact C-N 3.31Å; V266-G268 PolarHBondContact O-N 3.01Å; G268-K271 PolarHBondContact O-N 3.22Å; G268-I272 WeakPolarHBondContact O-CG1 3.35Å; G268-I272 PolarHBondContact O-N 3.15Å; G268-I272 VanDerWaalsContact O-N 3.15Å
269R93.2Very high91.9Very high159 Ų15979.8 Ų79.860%0.638%0.376SS*.Hα-helixtrans-68-37.5177.4-73.9-177.4-179.8-140.51.1113I198 R265 V266 I272 R273I198-R269 HydrophobicContact CD1-CB 4.14Å; I198-R269 HydrophobicContact CG1-CB 4.33Å; R265-R269 WeakPolarHBondContact O-CG 3.19Å; R265-R269 PolarHBondContact O-N 3.39Å; V266-R269 PolarHBondContact O-N 3.14Å; V266-R269 VanDerWaalsContact O-N 3.14Å; R269-I272 PolarHBondContact O-N 2.71Å; R269-R273 PolarHBondContact O-N 3.19Å; R269-R273 VanDerWaalsContact O-N 3.11Å
270A91.9Very high91.4Very high2 Ų284.2 Ų84.22%0.01740%0.397CS..Hα-helixtrans-63-46175.200000111.1E201 V202 V266 R267 I272 R273 I274E201-A270 HydrophobicContact CB-CB 3.73Å; E201-A270 HydrophobicContact CG-CB 3.39Å; V202-A270 HydrophobicContact CG2-CB 3.86Å; V266-A270 WeakPolarHBondContact O-CB 3.36Å; V266-A270 PolarHBondContact O-N 3.44Å; R267-A270 PolarHBondContact O-N 3.15Å; A270-I272 PolarHBondContact O-N 3.34Å; A270-R273 WeakPolarHBondContact O-CB 3.43Å; A270-R273 PolarHBondContact O-N 2.94Å; A270-R273 VanDerWaalsContact O-N 3.08Å; A270-I274 WeakPolarHBondContact O-CG1 3.38Å; A270-I274 PolarHBondContact O-N 2.84Å
271K92.1Very high90.6Very high135 Ų13584.7 Ų84.759%0.58740%0.402SS*.Hα-helixtrans-55.6-47.8174.4-73.8176-178.3-179.90112.4R267 G268 R273 I274 E275R267-K271 WeakPolarHBondContact O-CG 3.22Å; R267-K271 PolarHBondContact O-N 2.76Å; G268-K271 PolarHBondContact O-N 3.22Å; K271-R273 VanDerWaalsContact C-N 3.26Å; K271-R273 PolarHBondContact O-N 3.12Å; K271-I274 PolarHBondContact O-N 2.88Å; K271-E275 WeakPolarHBondContact O-CB 3.5Å; K271-E275 WeakPolarHBondContact O-CG 3.34Å; K271-E275 PolarHBondContact O-N 3.11Å
272I92.3Very high89.9Confident113 Ų11387.7 Ų87.758%0.57941%0.41SS*.Hα-helixtrans-58.7-39.8177.3-67.3164.7000111.4G268 R269 A270 K276G268-I272 WeakPolarHBondContact O-CG1 3.35Å; G268-I272 PolarHBondContact O-N 3.15Å; G268-I272 VanDerWaalsContact O-N 3.15Å; R269-I272 PolarHBondContact O-N 2.71Å; A270-I272 PolarHBondContact O-N 3.34Å; I272-K276 WeakPolarHBondContact O-CB 3.38Å; I272-K276 PolarHBondContact O-N 3.45Å
273R89.4Confident89.3Confident124 Ų12492 Ų9247%0.46843%0.43SS..Hα-helixtrans-69.4-39.1179.1-174.8169.5171.7-172-4.4112.1D199 V202 R269 A270 K271 A277D199-R273 IonicContact OD1-CZ 2.8Å; D199-R273 IonicContact OD1-NH1 3.88Å; D199-R273 PolarHBondContact OD1-NH1 2.96Å; D199-R273 IonicContact OD1-NH2 2.66Å; D199-R273 PolarHBondContact OD1-NH2 3.37Å; V202-R273 HydrophobicContact CG2-CB 4.45Å; R269-R273 PolarHBondContact O-N 3.19Å; R269-R273 VanDerWaalsContact O-N 3.11Å; A270-R273 WeakPolarHBondContact O-CB 3.43Å; A270-R273 PolarHBondContact O-N 2.94Å; A270-R273 VanDerWaalsContact O-N 3.08Å; K271-R273 VanDerWaalsContact C-N 3.26Å; K271-R273 PolarHBondContact O-N 3.12Å; R273-A277 PolarHBondContact O-N 3.24Å; R273-A277 VanDerWaalsContact O-N 3.12Å
274I85Confident88.7Confident68 Ų6896.8 Ų96.835%0.34945%0.452SS..Hα-helixtrans-66-49.4175-65.6164.8000110.2V202 A270 K271 K276 A277 M278V202-I274 HydrophobicContact CG1-CG1 4.27Å; V202-I274 HydrophobicContact CG2-CG1 4.31Å; A270-I274 WeakPolarHBondContact O-CG1 3.38Å; A270-I274 PolarHBondContact O-N 2.84Å; K271-I274 PolarHBondContact O-N 2.88Å; I274-K276 VanDerWaalsContact C-N 3.27Å; I274-K276 PolarHBondContact O-N 3.3Å; I274-A277 PolarHBondContact O-N 3.08Å; I274-A277 VanDerWaalsContact O-N 3.11Å; I274-M278 HydrophobicContact CG2-CG 4.3Å; I274-M278 HydrophobicContact CG2-SD 3.97Å; I274-M278 WeakPolarHBondContact O-CG 3.35Å; I274-M278 PolarHBondContact O-N 3.12Å
275E88.9Confident87.9Confident125 Ų12596.5 Ų96.558%0.58445%0.451SS*.Hα-helixtrans-57.2-40.8177.3-75.2172.7-169.900111.9K271 M278 K279K271-E275 WeakPolarHBondContact O-CB 3.5Å; K271-E275 WeakPolarHBondContact O-CG 3.34Å; K271-E275 PolarHBondContact O-N 3.11Å; E275-M278 PolarHBondContact O-N 2.97Å; E275-K279 WeakPolarHBondContact O-CB 3.45Å; E275-K279 PolarHBondContact O-N 3.4Å
276K89.4Confident87.1Confident134 Ų13494.8 Ų94.858%0.58345%0.445SS*.Hα-helixtrans-62.6-47.2175.5-173.6-178.6175.8-1670111.7I272 I274 M278 K279 E280I272-K276 WeakPolarHBondContact O-CB 3.38Å; I272-K276 PolarHBondContact O-N 3.45Å; I274-K276 VanDerWaalsContact C-N 3.27Å; I274-K276 PolarHBondContact O-N 3.3Å; K276-M278 VanDerWaalsContact C-N 3.35Å; K276-K279 PolarHBondContact O-N 3.15Å; K276-E280 WeakPolarHBondContact CE-OE1 3.48Å; K276-E280 IonicContact NZ-OE1 3.93Å; K276-E280 WeakPolarHBondContact O-CG 3.45Å; K276-E280 PolarHBondContact O-N 3.03Å
277A85Confident86.3Confident54 Ų54100.8 Ų100.845%0.44647%0.473SS..Hα-helixtrans-64.5-39.1178.200000112R273 I274 E280 L281R273-A277 PolarHBondContact O-N 3.24Å; R273-A277 VanDerWaalsContact O-N 3.12Å; I274-A277 PolarHBondContact O-N 3.08Å; I274-A277 VanDerWaalsContact O-N 3.11Å; A277-E280 PolarHBondContact O-N 3.46Å; A277-L281 WeakPolarHBondContact O-CB 3.41Å; A277-L281 PolarHBondContact O-N 3.14Å
278M81.4Confident85.7Confident125 Ų125105.9 Ų105.962%0.61650%0.496SS*.Hα-helixtrans-63.5-42.9174.6-72.6-179.568.200111.9I274 E275 K276 L281 E282I274-M278 HydrophobicContact CG2-CG 4.3Å; I274-M278 HydrophobicContact CG2-SD 3.97Å; I274-M278 WeakPolarHBondContact O-CG 3.35Å; I274-M278 PolarHBondContact O-N 3.12Å; E275-M278 PolarHBondContact O-N 2.97Å; K276-M278 VanDerWaalsContact C-N 3.35Å; M278-L281 PolarHBondContact O-N 3.44Å; M278-E282 WeakPolarHBondContact O-CB 3.36Å; M278-E282 PolarHBondContact O-N 2.91Å
279K86.8Confident85.1Confident142 Ų142108.5 Ų108.562%0.61750%0.496SS*.Hα-helixtrans-66.1-40.1177.7-173.9179.3179.2-179.10112.4E275 K276 L281 E282 E283E275-K279 WeakPolarHBondContact O-CB 3.45Å; E275-K279 PolarHBondContact O-N 3.4Å; K276-K279 PolarHBondContact O-N 3.15Å; K279-L281 VanDerWaalsContact C-N 3.32Å; K279-E282 PolarHBondContact O-N 2.83Å; K279-E283 WeakPolarHBondContact O-CB 3.34Å; K279-E283 PolarHBondContact O-N 3.11Å
280E85.7Confident84.5Confident98 Ų98103.8 Ų103.846%0.45848%0.483SS..Hα-helixtrans-61.6-42.6174.4-74.7172.4178.200110.8K276 A277 E283 E284K276-E280 WeakPolarHBondContact CE-OE1 3.48Å; K276-E280 IonicContact NZ-OE1 3.93Å; K276-E280 WeakPolarHBondContact O-CG 3.45Å; K276-E280 PolarHBondContact O-N 3.03Å; A277-E280 PolarHBondContact O-N 3.46Å; E280-E283 PolarHBondContact O-N 3.31Å; E280-E284 WeakPolarHBondContact O-CG 3.1Å; E280-E284 PolarHBondContact O-N 3.46Å
281L79.5Confident83.9Confident98 Ų98104.4 Ų104.451%0.51349%0.489SS..Hα-helixtrans-66.8-41.9176.3-169.6139.6000112.4A277 M278 K279 E283 E284 E285A277-L281 WeakPolarHBondContact O-CB 3.41Å; A277-L281 PolarHBondContact O-N 3.14Å; M278-L281 PolarHBondContact O-N 3.44Å; K279-L281 VanDerWaalsContact C-N 3.32Å; L281-E283 VanDerWaalsContact C-N 3.29Å; L281-E283 PolarHBondContact O-N 3.32Å; L281-E284 PolarHBondContact O-N 2.84Å; L281-E285 HydrophobicContact CD2-CG 4.33Å; L281-E285 WeakPolarHBondContact O-CG 3.37Å; L281-E285 PolarHBondContact O-N 3.49Å
282E82.1Confident83.3Confident117 Ų117103.7 Ų103.755%0.54750%0.499SS..Hα-helixtrans-62.2-37.4174.2-172.7-175.7176.900111.6M278 K279 E285 R286M278-E282 WeakPolarHBondContact O-CB 3.36Å; M278-E282 PolarHBondContact O-N 2.91Å; K279-E282 PolarHBondContact O-N 2.83Å; E282-E285 PolarHBondContact O-N 2.88Å; E282-R286 WeakPolarHBondContact O-CB 3.37Å; E282-R286 PolarHBondContact O-N 3.43Å
283E82.2Confident82.7Confident101 Ų101100.3 Ų100.347%0.47249%0.491SS..Hα-helixtrans-70.7-36.8176.4-167.2167.3-168.200111.9K279 E280 L281 R286 Q287K279-E283 WeakPolarHBondContact O-CB 3.34Å; K279-E283 PolarHBondContact O-N 3.11Å; E280-E283 PolarHBondContact O-N 3.31Å; L281-E283 VanDerWaalsContact C-N 3.29Å; L281-E283 PolarHBondContact O-N 3.32Å; E283-R286 WeakPolarHBondContact O-CB 3.37Å; E283-R286 PolarHBondContact O-N 3.32Å; E283-Q287 WeakPolarHBondContact O-CG 3.44Å; E283-Q287 PolarHBondContact O-N 2.9Å
284E82.7Confident82.1Confident114 Ų11496.6 Ų96.653%0.53349%0.492SS..Hα-helixtrans-65.1-44.1171-75.7-171.7-177.300112.3E280 L281 R286 Q287 K288E280-E284 WeakPolarHBondContact O-CG 3.1Å; E280-E284 PolarHBondContact O-N 3.46Å; L281-E284 PolarHBondContact O-N 2.84Å; E284-R286 VanDerWaalsContact C-N 3.29Å; E284-R286 PolarHBondContact O-N 2.99Å; E284-Q287 PolarHBondContact O-N 3.41Å; E284-K288 WeakPolarHBondContact O-CG 3.3Å; E284-K288 PolarHBondContact O-N 3.27Å
285E80.1Confident82Confident105 Ų10596.2 Ų96.249%0.49149%0.49SS..Hα-helixtrans-63.3-38.7173.1-72.9-169.7157.700111.4L281 E282 Q287 K288 R289L281-E285 HydrophobicContact CD2-CG 4.33Å; L281-E285 WeakPolarHBondContact O-CG 3.37Å; L281-E285 PolarHBondContact O-N 3.49Å; E282-E285 PolarHBondContact O-N 2.88Å; E285-Q287 VanDerWaalsContact C-N 3.32Å; E285-Q287 PolarHBondContact O-N 2.85Å; E285-K288 PolarHBondContact O-N 3.32Å; E285-R289 WeakPolarHBondContact O-CG 3.38Å; E285-R289 PolarHBondContact O-N 2.94Å
286R78.4Confident81.7Confident82 Ų8290.3 Ų90.331%0.30946%0.463SS..Hα-helixtrans-60.4-41.1172.6-175.5170.8178.8-81.2-2.9111.9E282 E283 E284 R289 L290 D296 E299E282-R286 WeakPolarHBondContact O-CB 3.37Å; E282-R286 PolarHBondContact O-N 3.43Å; E283-R286 WeakPolarHBondContact O-CB 3.37Å; E283-R286 PolarHBondContact O-N 3.32Å; E284-R286 VanDerWaalsContact C-N 3.29Å; E284-R286 PolarHBondContact O-N 2.99Å; R286-R289 VanDerWaalsContact CA-CZ 3.46Å; R286-R289 WeakPolarHBondContact O-CG 3.18Å; R286-R289 PolarHBondContact O-N 2.97Å; R286-L290 VanDerWaalsContact O-CG 3.26Å; R286-L290 WeakPolarHBondContact O-CG 3.26Å; R286-L290 PolarHBondContact O-N 3.23Å; R286-D296 IonicContact NE-OD2 3.17Å; R286-E299 IonicContact CZ-OE1 3.26Å; R286-E299 IonicContact CZ-OE2 2.84Å; R286-E299 IonicContact NE-OE1 2.73Å; R286-E299 PolarHBondContact NE-OE1 3.26Å; R286-E299 IonicContact NH2-OE1 2.8Å; R286-E299 PolarHBondContact NH2-OE1 3.09Å; R286-E299 IonicContact NH2-OE2 2.9Å; R286-E299 PolarHBondContact NH2-OE2 2.55Å
287Q79.3Confident81.3Confident128 Ų12885.7 Ų85.760%0.59845%0.446SS*.Hα-helixtrans-67.1-39.7174.9-74.9-173.419.700112.4E283 E284 E285 R289 L290E283-Q287 WeakPolarHBondContact O-CG 3.44Å; E283-Q287 PolarHBondContact O-N 2.9Å; E284-Q287 PolarHBondContact O-N 3.41Å; E285-Q287 VanDerWaalsContact C-N 3.32Å; E285-Q287 PolarHBondContact O-N 2.85Å; Q287-R289 VanDerWaalsContact C-N 3.3Å; Q287-R289 PolarHBondContact O-N 3.38Å; Q287-L290 PolarHBondContact O-N 2.96Å
288K81.2Confident81.2Confident167 Ų16786.8 Ų86.873%0.72645%0.447SS*.Hα-helixtrans-66.1-29.7178-71.8171.1-172.7166.50113.2E284 E285E284-K288 WeakPolarHBondContact O-CG 3.3Å; E284-K288 PolarHBondContact O-N 3.27Å; E285-K288 PolarHBondContact O-N 3.32Å
289R79.8Confident81.3Confident88 Ų8885 Ų8533%0.33244%0.438SS..THydrogen-bonded Turntrans-910.3179.474.4-165.4-174.5-134.31.2114.8E285 R286 Q287 G291 D296 P297E285-R289 WeakPolarHBondContact O-CG 3.38Å; E285-R289 PolarHBondContact O-N 2.94Å; R286-R289 VanDerWaalsContact CA-CZ 3.46Å; R286-R289 WeakPolarHBondContact O-CG 3.18Å; R286-R289 PolarHBondContact O-N 2.97Å; Q287-R289 VanDerWaalsContact C-N 3.3Å; Q287-R289 PolarHBondContact O-N 3.38Å; R289-G291 PolarHBondContact O-N 3.01Å; R289-D296 IonicContact CZ-OD2 2.75Å; R289-D296 IonicContact NE-OD1 2.88Å; R289-D296 IonicContact NE-OD2 3.97Å; R289-D296 PolarHBondContact NE-OD2 3.42Å; R289-D296 IonicContact NH2-OD2 2.92Å; R289-D296 PolarHBondContact NH2-OD2 3.49Å; R289-P297 WeakPolarHBondContact O-CD 3.11Å
290L81.9Confident81.2Confident59 Ų5978.5 Ų78.531%0.30941%0.41SS..  trans-63.6134.1177.6-64.5178.9000111R286 Q287 D296R286-L290 VanDerWaalsContact O-CG 3.26Å; R286-L290 WeakPolarHBondContact O-CG 3.26Å; R286-L290 PolarHBondContact O-N 3.23Å; Q287-L290 PolarHBondContact O-N 2.96Å; L290-D296 HydrophobicContact CD2-CB 4.08Å
291G78.5Confident81.1Confident15 Ų1576.9 Ų76.916%0.15540%0.4CS..  trans-69.1175.817400000113.4R289 G293 G294 L295 D341 S342R289-G291 PolarHBondContact O-N 3.01Å; G291-G293 PolarHBondContact O-N 2.85Å; G291-G294 PolarHBondContact O-N 3.5Å; G291-L295 PolarHBondContact N-O 3.47Å; G291-D341 CarbonylContact C-O 3.58Å; G291-S342 WeakPolarHBondContact CA-O 3.38Å
292P80Confident81.3Confident121 Ų12178.9 Ų78.979%0.78641%0.406SS*.THydrogen-bonded Turntrans-59.7-19.4-174.624.1-34.5000114.9
293G78.5Confident81.5Confident41 Ų4175.7 Ų75.742%0.42340%0.397SS..THydrogen-bonded Turntrans-102.511.7174.400000114.5G291 L295 D341G291-G293 PolarHBondContact O-N 2.85Å; G293-L295 VanDerWaalsContact C-N 3.33Å; G293-L295 PolarHBondContact O-N 3.23Å; G293-D341 CarbonylContact C-O 3.59Å; G293-D341 WeakPolarHBondContact CA-O 3.15Å; G293-D341 PolarHBondContact N-O 3.37Å
294G78.3Confident81.7Confident47 Ų4771.3 Ų71.349%0.48538%0.377SS..SBendtrans76.115.9177.100000114.7G291G291-G294 PolarHBondContact O-N 3.5Å
295L82.1Confident81.9Confident60 Ų6067.8 Ų67.831%0.31436%0.364SS..  trans-99.7142.5174.8-62.4-177.4000110.7G291 G293 V300 R338 D341 S342G291-L295 PolarHBondContact N-O 3.47Å; G293-L295 VanDerWaalsContact C-N 3.33Å; G293-L295 PolarHBondContact O-N 3.23Å; L295-V300 HydrophobicContact CB-CG2 3.91Å; L295-V300 HydrophobicContact CD1-CG2 4.03Å; L295-R338 HydrophobicContact CD1-CB 4.09Å; L295-R338 HydrophobicContact CD1-CG 4.15Å; L295-D341 HydrophobicContact CD1-CB 3.75Å; L295-D341 HydrophobicContact CG-CB 4.2Å; L295-S342 WeakPolarHBondContact O-CA 3.36Å
296D82.8Confident82.1Confident1 Ų165.8 Ų65.81%0.00537%0.365CS..  trans-77.1123.3175-172.8-26000110R286 R289 L290 V298 E299 V300R286-D296 IonicContact NE-OD2 3.17Å; R289-D296 IonicContact CZ-OD2 2.75Å; R289-D296 IonicContact NE-OD1 2.88Å; R289-D296 IonicContact NE-OD2 3.97Å; R289-D296 PolarHBondContact NE-OD2 3.42Å; R289-D296 IonicContact NH2-OD2 2.92Å; R289-D296 PolarHBondContact NH2-OD2 3.49Å; L290-D296 HydrophobicContact CD2-CB 4.08Å; D296-V298 PolarHBondContact O-N 3.36Å; D296-V298 PolarHBondContact OD1-N 3.45Å; D296-E299 HydrophobicContact CB-CB 4.06Å; D296-E299 HydrophobicContact CB-CG 3.86Å; D296-E299 PolarHBondContact O-N 2.76Å; D296-V300 WeakPolarHBondContact O-CG2 3.45Å; D296-V300 PolarHBondContact O-N 2.8Å
297P81.7Confident82.2Confident36 Ų3667.3 Ų67.323%0.23438%0.376CS..Hα-helixtrans-52.5-37.2175.4-15.318.2000113.9R289 Y301 S342 L344R289-P297 WeakPolarHBondContact O-CD 3.11Å; P297-Y301 VanDerWaalsContact O-CB 3.28Å; P297-Y301 WeakPolarHBondContact O-CB 3.33Å; P297-Y301 PolarHBondContact O-N 2.78Å; P297-S342 VanDerWaalsContact CG-O 3.3Å; P297-S342 WeakPolarHBondContact CG-O 3.47Å; P297-L344 HydrophobicContact CB-CD2 4.28Å; P297-L344 HydrophobicContact CB-CG 4.15Å; P297-L344 WeakPolarHBondContact O-CD1 3.33Å
298V83.2Confident82.1Confident77 Ų7761.3 Ų61.347%0.46735%0.348SS..Hα-helixtrans-71.6-47.1-176.8-177.70000110.4D296 V300 Y301 E302D296-V298 PolarHBondContact O-N 3.36Å; D296-V298 PolarHBondContact OD1-N 3.45Å; V298-V300 VanDerWaalsContact C-N 3.33Å; V298-V300 PolarHBondContact O-N 3.39Å; V298-Y301 PolarHBondContact O-N 3.4Å; V298-E302 WeakPolarHBondContact O-CG 3.47Å; V298-E302 PolarHBondContact O-N 3.41Å
299E83.4Confident82.1Confident89 Ų8955.5 Ų55.542%0.41632%0.323SS..Hα-helixtrans-64.7-38.5178.2-63.9179.2-177.200111.9R286 D296 S303R286-E299 IonicContact CZ-OE1 3.26Å; R286-E299 IonicContact CZ-OE2 2.84Å; R286-E299 IonicContact NE-OE1 2.73Å; R286-E299 PolarHBondContact NE-OE1 3.26Å; R286-E299 IonicContact NH2-OE1 2.8Å; R286-E299 PolarHBondContact NH2-OE1 3.09Å; R286-E299 IonicContact NH2-OE2 2.9Å; R286-E299 PolarHBondContact NH2-OE2 2.55Å; D296-E299 HydrophobicContact CB-CB 4.06Å; D296-E299 HydrophobicContact CB-CG 3.86Å; D296-E299 PolarHBondContact O-N 2.76Å; E299-S303 WeakPolarHBondContact O-CB 3.44Å; E299-S303 PolarHBondContact O-N 2.9Å; E299-S303 PolarHBondContact O-OG 2.92Å
300V84.1Confident82.2Confident5 Ų557.1 Ų57.13%0.0333%0.333CS..Hα-helixtrans-65.4-48.8176174.70000109.6L295 D296 V298 E302 S303 L304 R338 L344L295-V300 HydrophobicContact CB-CG2 3.91Å; L295-V300 HydrophobicContact CD1-CG2 4.03Å; D296-V300 WeakPolarHBondContact O-CG2 3.45Å; D296-V300 PolarHBondContact O-N 2.8Å; V298-V300 VanDerWaalsContact C-N 3.33Å; V298-V300 PolarHBondContact O-N 3.39Å; V300-E302 PolarHBondContact O-N 2.73Å; V300-S303 PolarHBondContact O-N 3.43Å; V300-S303 VanDerWaalsContact O-N 3.13Å; V300-S303 PolarHBondContact O-OG 3.45Å; V300-L304 WeakPolarHBondContact O-CG 3.44Å; V300-L304 PolarHBondContact O-N 2.98Å; V300-R338 HydrophobicContact CG1-CB 4.03Å; V300-L344 HydrophobicContact CB-CD1 3.83Å; V300-L344 HydrophobicContact CG1-CD1 3.63Å
301Y82.6Confident82.2Confident64 Ų6454.5 Ų54.525%0.25132%0.319SS..Hα-helixtrans-57.7-46.6179.4175.3-90.4000112.6P297 V298 S303 L304 Q309 F312 D313P297-Y301 VanDerWaalsContact O-CB 3.28Å; P297-Y301 WeakPolarHBondContact O-CB 3.33Å; P297-Y301 PolarHBondContact O-N 2.78Å; V298-Y301 PolarHBondContact O-N 3.4Å; Y301-S303 PolarHBondContact O-N 3.29Å; Y301-L304 WeakPolarHBondContact O-CB 3.28Å; Y301-L304 PolarHBondContact O-N 2.9Å; Y301-L304 VanDerWaalsContact O-N 3.15Å; Y301-Q309 HydrophobicContact CE1-CG 4.47Å; Y301-Q309 HydrophobicContact CE2-CB 4.2Å; Y301-Q309 HydrophobicContact CE2-CG 4.31Å; Y301-Q309 WeakPolarHBondContact O-CG 3.34Å; Y301-Q309 PolarHBondContact O-NE2 2.8Å; Y301-F312 HydrophobicContact CD2-CB 4.34Å; Y301-F312 HydrophobicContact CE2-CB 4.03Å; Y301-D313 PolarHBondContact OH-OD1 3.06Å; Y301-D313 PolarHBondContact OH-OD2 3.42Å; Y301-D313 VanDerWaalsContact OH-OD2 3.09Å
302E85.1Confident82.3Confident140 Ų14055.5 Ų55.565%0.65432%0.319SS*.Hα-helixtrans-63.4-29178-72.3-174.3171.600113.4V298 V300 Q309V298-E302 WeakPolarHBondContact O-CG 3.47Å; V298-E302 PolarHBondContact O-N 3.41Å; V300-E302 PolarHBondContact O-N 2.73Å; E302-Q309 PolarHBondContact O-NE2 2.88Å; E302-Q309 VanDerWaalsContact O-NE2 3.15Å
303S85.9Confident82.4Confident50 Ų5054.2 Ų54.235%0.3531%0.306SS..THydrogen-bonded Turntrans-86.5-4.2178.876.10000114.8E299 V300 Y301 R338E299-S303 WeakPolarHBondContact O-CB 3.44Å; E299-S303 PolarHBondContact O-N 2.9Å; E299-S303 PolarHBondContact O-OG 2.92Å; V300-S303 PolarHBondContact O-N 3.43Å; V300-S303 VanDerWaalsContact O-N 3.13Å; V300-S303 PolarHBondContact O-OG 3.45Å; Y301-S303 PolarHBondContact O-N 3.29Å; S303-R338 PolarHBondContact OG-NH2 3.37Å
304L86Confident82.6Confident8 Ų857.8 Ų57.84%0.04232%0.315CS..SBendtrans-76.4152.5177-70.6175000111.3V300 Y301 M308 Q309 F312 H335V300-L304 WeakPolarHBondContact O-CG 3.44Å; V300-L304 PolarHBondContact O-N 2.98Å; Y301-L304 WeakPolarHBondContact O-CB 3.28Å; Y301-L304 PolarHBondContact O-N 2.9Å; Y301-L304 VanDerWaalsContact O-N 3.15Å; L304-M308 HydrophobicContact CB-CB 4.27Å; L304-M308 HydrophobicContact CD2-SD 4.18Å; L304-Q309 HydrophobicContact CB-CG 4.01Å; L304-Q309 PolarHBondContact O-NE2 3.2Å; L304-F312 HydrophobicContact CD1-CD2 3.86Å; L304-F312 HydrophobicContact CD1-CE2 3.6Å; L304-H335 HydrophobicContact CD2-CB 3.99Å
305P87.3Confident82.6Confident41 Ų4164.2 Ų64.227%0.26633%0.33SS..  trans-56.5144.1170.3-24.234.4000111.6E307 M308 Q309 M327P305-E307 PolarHBondContact O-N 2.99Å; P305-M308 WeakPolarHBondContact O-CA 3.43Å; P305-M308 WeakPolarHBondContact O-CB 3.37Å; P305-M308 PolarHBondContact O-N 3.27Å; P305-Q309 PolarHBondContact O-N 2.86Å; P305-M327 HydrophobicContact CB-CE 3.92Å; P305-M327 HydrophobicContact CG-CE 3.89Å
306A83.4Confident82.5Confident62 Ų6264.5 Ų64.551%0.51233%0.332SS..Hα-helixtrans-55.9-27.5-178.900000113.6K310A306-K310 VanDerWaalsContact O-CG 3.32Å; A306-K310 WeakPolarHBondContact O-CG 3.44Å; A306-K310 PolarHBondContact O-N 3.44Å
307E80.6Confident82.1Confident114 Ų11468.8 Ų68.853%0.53335%0.354SS..Hα-helixtrans-69.2-40.3173.9-63.1-179.5172.500112P305 C311 V323P305-E307 PolarHBondContact O-N 2.99Å; E307-C311 PolarHBondContact O-N 2.89Å; E307-C311 PolarHBondContact O-SG 2.67Å; E307-V323 HydrophobicContact CB-CG1 3.95Å; E307-V323 HydrophobicContact CB-CG2 4.19Å
308M77.8Confident81.7Confident2 Ų273.9 Ų73.91%0.0137%0.374CS..Hα-helixtrans-72.4-38.9174.7-75.2-164.2177.700112.1L304 P305 K310 C311 F312 L320 V323 I324 M327 H335L304-M308 HydrophobicContact CB-CB 4.27Å; L304-M308 HydrophobicContact CD2-SD 4.18Å; P305-M308 WeakPolarHBondContact O-CA 3.43Å; P305-M308 WeakPolarHBondContact O-CB 3.37Å; P305-M308 PolarHBondContact O-N 3.27Å; M308-K310 VanDerWaalsContact C-N 3.31Å; M308-K310 PolarHBondContact O-N 3.14Å; M308-C311 WeakPolarHBondContact O-CB 3.45Å; M308-C311 PolarHBondContact O-N 3.06Å; M308-C311 VanDerWaalsContact O-N 3.09Å; M308-F312 WeakPolarHBondContact O-CD2 3.37Å; M308-F312 PolarHBondContact O-N 3Å; M308-F312 VanDerWaalsContact O-N 3.09Å; M308-L320 HydrophobicContact CB-CD1 4.41Å; M308-L320 HydrophobicContact CG-CD1 4.07Å; M308-L320 HydrophobicContact SD-CD1 4.48Å; M308-V323 HydrophobicContact CG-CG1 3.86Å; M308-I324 HydrophobicContact CE-CG1 3.69Å; M308-M327 HydrophobicContact CE-CE 4.17Å; M308-M327 HydrophobicContact CE-SD 3.62Å; M308-M327 HydrophobicContact CG-CE 4.23Å; M308-H335 HydrophobicContact CE-CB 4.31Å; M308-H335 HydrophobicContact SD-CB 4.11Å
309Q81.2Confident81.4Confident45 Ų4573.9 Ų73.921%0.2137%0.37CS..Hα-helixtrans-55.6-47.6175.4-71.3174.1-13.800111Y301 E302 L304 P305 C311 F312 D313Y301-Q309 HydrophobicContact CE1-CG 4.47Å; Y301-Q309 HydrophobicContact CE2-CB 4.2Å; Y301-Q309 HydrophobicContact CE2-CG 4.31Å; Y301-Q309 WeakPolarHBondContact O-CG 3.34Å; Y301-Q309 PolarHBondContact O-NE2 2.8Å; E302-Q309 PolarHBondContact O-NE2 2.88Å; E302-Q309 VanDerWaalsContact O-NE2 3.15Å; L304-Q309 HydrophobicContact CB-CG 4.01Å; L304-Q309 PolarHBondContact O-NE2 3.2Å; P305-Q309 PolarHBondContact O-N 2.86Å; Q309-C311 VanDerWaalsContact C-N 3.32Å; Q309-C311 PolarHBondContact O-N 3.01Å; Q309-F312 PolarHBondContact O-N 3.36Å; Q309-D313 VanDerWaalsContact O-CG 3.29Å; Q309-D313 PolarHBondContact O-N 2.92Å
310K82Confident81Confident123 Ų12369.9 Ų69.954%0.53535%0.351SS..Hα-helixtrans-59.6-38.6174.5-73176.3-177.3-177.70113.1A306 M308 F312 D313 D314A306-K310 VanDerWaalsContact O-CG 3.32Å; A306-K310 WeakPolarHBondContact O-CG 3.44Å; A306-K310 PolarHBondContact O-N 3.44Å; M308-K310 VanDerWaalsContact C-N 3.31Å; M308-K310 PolarHBondContact O-N 3.14Å; K310-F312 VanDerWaalsContact C-N 3.29Å; K310-F312 PolarHBondContact O-N 3.29Å; K310-D313 PolarHBondContact O-N 3.41Å; K310-D314 WeakPolarHBondContact O-CB 3.34Å; K310-D314 PolarHBondContact O-N 3.2Å
311C82.3Confident80.6Confident3 Ų375.2 Ų75.22%0.0238%0.376CS..Hα-helixtrans-63.5-34.6175.5-60.70000112.8E307 M308 Q309 K315 D316 M319 L320E307-C311 PolarHBondContact O-N 2.89Å; E307-C311 PolarHBondContact O-SG 2.67Å; M308-C311 WeakPolarHBondContact O-CB 3.45Å; M308-C311 PolarHBondContact O-N 3.06Å; M308-C311 VanDerWaalsContact O-N 3.09Å; Q309-C311 VanDerWaalsContact C-N 3.32Å; Q309-C311 PolarHBondContact O-N 3.01Å; C311-K315 WeakPolarHBondContact O-CA 3.32Å; C311-K315 PolarHBondContact O-N 3.43Å; C311-K315 VanDerWaalsContact O-N 3.14Å; C311-D316 PolarHBondContact O-N 2.99Å; C311-M319 VanDerWaalsContact SG-C 3.56Å; C311-M319 VanDerWaalsContact SG-CG 3.57Å; C311-L320 HydrophobicContact CB-CB 3.88Å; C311-L320 HydrophobicContact CB-CD1 3.92Å; C311-L320 HydrophobicContact CB-CG 4.46Å
312F80.1Confident80.4Confident37 Ų3777.4 Ų77.416%0.16239%0.388CS..Hα-helixtrans-75.6-35.5174.7-74.3-72.3000112.3Y301 L304 M308 Q309 K310 K315 L320 C339 W345Y301-F312 HydrophobicContact CD2-CB 4.34Å; Y301-F312 HydrophobicContact CE2-CB 4.03Å; L304-F312 HydrophobicContact CD1-CD2 3.86Å; L304-F312 HydrophobicContact CD1-CE2 3.6Å; M308-F312 WeakPolarHBondContact O-CD2 3.37Å; M308-F312 PolarHBondContact O-N 3Å; M308-F312 VanDerWaalsContact O-N 3.09Å; Q309-F312 PolarHBondContact O-N 3.36Å; K310-F312 VanDerWaalsContact C-N 3.29Å; K310-F312 PolarHBondContact O-N 3.29Å; F312-K315 PolarHBondContact O-N 2.87Å; F312-L320 HydrophobicContact CE1-CD2 4.36Å; F312-L320 HydrophobicContact CE2-CD1 4.15Å; F312-L320 HydrophobicContact CZ-CD1 4.44Å; F312-L320 HydrophobicContact CZ-CD2 4.03Å; F312-C339 HydrophobicContact CZ-CB 4.32Å; F312-W345 HydrophobicContact CE1-CE3 4.14Å
313D82.8Confident80Confident93 Ų9371.2 Ų71.250%0.49736%0.36SS..Hα-helixtrans-64.7-48175.2-66.2-20.2000112Y301 Q309 K310 K315Y301-D313 PolarHBondContact OH-OD1 3.06Å; Y301-D313 PolarHBondContact OH-OD2 3.42Å; Y301-D313 VanDerWaalsContact OH-OD2 3.09Å; Q309-D313 VanDerWaalsContact O-CG 3.29Å; Q309-D313 PolarHBondContact O-N 2.92Å; K310-D313 PolarHBondContact O-N 3.41Å; D313-K315 PolarHBondContact O-N 3.09Å
314D82.8Confident79.6Confident117 Ų11771 Ų7163%0.62636%0.355SS*.THydrogen-bonded Turntrans-81.7-4.9-178.6-66.6-28.4000112.5K310 D316K310-D314 WeakPolarHBondContact O-CB 3.34Å; K310-D314 PolarHBondContact O-N 3.2Å; D314-D316 PolarHBondContact O-N 3.36Å
315K77.8Confident79.3Confident182 Ų18275.4 Ų75.479%0.79139%0.387SS*.THydrogen-bonded Turntrans52.332.8-175.8-58.8-178.6-179.4-179.60113.2C311 F312 D313C311-K315 WeakPolarHBondContact O-CA 3.32Å; C311-K315 PolarHBondContact O-N 3.43Å; C311-K315 VanDerWaalsContact O-N 3.14Å; F312-K315 PolarHBondContact O-N 2.87Å; D313-K315 PolarHBondContact O-N 3.09Å
316D79.6Confident78.9Confident66 Ų6681 Ų8135%0.35341%0.406SS..  trans-95.5101.5-176.7-167.6-23000111.5C311 D314 Q318 M319 L320C311-D316 PolarHBondContact O-N 2.99Å; D314-D316 PolarHBondContact O-N 3.36Å; D316-Q318 VanDerWaalsContact C-N 3.3Å; D316-Q318 PolarHBondContact O-N 3.15Å; D316-Q318 WeakPolarHBondContact OD1-CA 3.34Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.49Å; D316-Q318 PolarHBondContact OD1-N 2.71Å; D316-M319 HydrophobicContact CB-CB 3.81Å; D316-M319 PolarHBondContact OD1-N 3.2Å; D316-L320 PolarHBondContact O-N 3.26Å; D316-L320 VanDerWaalsContact O-N 3.09Å
317I73.8Confident78.5Confident91 Ų9179.7 Ų79.747%0.46739%0.39SS..Hα-helixtrans-67.2-31.1178.7-59.8173.1000111.6Q321 W345I317-Q321 WeakPolarHBondContact O-CG 3.41Å; I317-Q321 PolarHBondContact O-N 3.15Å; I317-Q321 VanDerWaalsContact O-N 3.1Å; I317-W345 HydrophobicContact CB-CH2 4.42Å; I317-W345 HydrophobicContact CD1-CH2 4.27Å; I317-W345 HydrophobicContact CG1-CH2 3.94Å; I317-W345 HydrophobicContact CG1-CZ3 4.14Å; I317-W345 HydrophobicContact CG2-CH2 3.84Å
318Q73.8Confident78.6Confident143 Ų14378 Ų7867%0.66839%0.385SS*.Hα-helixtrans-73.9-42.5-179.7-64.6-171.7-19.700110.2D316 L320 Q321 E322D316-Q318 VanDerWaalsContact C-N 3.3Å; D316-Q318 PolarHBondContact O-N 3.15Å; D316-Q318 WeakPolarHBondContact OD1-CA 3.34Å; D316-Q318 WeakPolarHBondContact OD1-CB 3.49Å; D316-Q318 PolarHBondContact OD1-N 2.71Å; Q318-L320 VanDerWaalsContact C-N 3.3Å; Q318-L320 PolarHBondContact O-N 3.23Å; Q318-Q321 PolarHBondContact O-N 3.06Å; Q318-E322 PolarHBondContact O-N 2.69Å
319M76.9Confident78.7Confident76 Ų7682.9 Ų82.937%0.37442%0.417SS..Hα-helixtrans-61.1-40.9173.9-161-175.6-167.200111.4C311 D316 Q321 E322 V323C311-M319 VanDerWaalsContact SG-C 3.56Å; C311-M319 VanDerWaalsContact SG-CG 3.57Å; D316-M319 HydrophobicContact CB-CB 3.81Å; D316-M319 PolarHBondContact OD1-N 3.2Å; M319-Q321 PolarHBondContact O-N 3.23Å; M319-E322 PolarHBondContact O-N 3.13Å; M319-V323 WeakPolarHBondContact O-CB 3.15Å; M319-V323 VanDerWaalsContact O-CG2 3.24Å; M319-V323 WeakPolarHBondContact O-CG2 3.39Å; M319-V323 PolarHBondContact O-N 2.97Å
320L76.3Confident78.6Confident5 Ų585 Ų853%0.02643%0.433CS..Hα-helixtrans-61.9-41.4175.6-171.563.1000112M308 C311 F312 D316 Q318 V323 I324 M336 W345M308-L320 HydrophobicContact CB-CD1 4.41Å; M308-L320 HydrophobicContact CG-CD1 4.07Å; M308-L320 HydrophobicContact SD-CD1 4.48Å; C311-L320 HydrophobicContact CB-CB 3.88Å; C311-L320 HydrophobicContact CB-CD1 3.92Å; C311-L320 HydrophobicContact CB-CG 4.46Å; F312-L320 HydrophobicContact CE1-CD2 4.36Å; F312-L320 HydrophobicContact CE2-CD1 4.15Å; F312-L320 HydrophobicContact CZ-CD1 4.44Å; F312-L320 HydrophobicContact CZ-CD2 4.03Å; D316-L320 PolarHBondContact O-N 3.26Å; D316-L320 VanDerWaalsContact O-N 3.09Å; Q318-L320 VanDerWaalsContact C-N 3.3Å; Q318-L320 PolarHBondContact O-N 3.23Å; L320-V323 PolarHBondContact O-N 2.78Å; L320-I324 HydrophobicContact CD1-CD1 4.32Å; L320-I324 HydrophobicContact CG-CD1 3.92Å; L320-I324 WeakPolarHBondContact O-CB 3.22Å; L320-I324 WeakPolarHBondContact O-CD1 3.5Å; L320-I324 WeakPolarHBondContact O-CG1 3.36Å; L320-I324 PolarHBondContact O-N 3.2Å; L320-M336 HydrophobicContact CD2-CE 4.27Å; L320-W345 HydrophobicContact CD2-CE3 3.97Å; L320-W345 HydrophobicContact CD2-CH2 4.36Å; L320-W345 HydrophobicContact CD2-CZ3 3.8Å
321Q75.1Confident78.5Confident118 Ų11884.2 Ų84.255%0.55143%0.431SS*.Hα-helixtrans-66.8-36.5176.8-74.9176.7-5.100112.9I317 Q318 M319 S325I317-Q321 WeakPolarHBondContact O-CG 3.41Å; I317-Q321 PolarHBondContact O-N 3.15Å; I317-Q321 VanDerWaalsContact O-N 3.1Å; Q318-Q321 PolarHBondContact O-N 3.06Å; M319-Q321 PolarHBondContact O-N 3.23Å; Q321-S325 WeakPolarHBondContact O-CB 3.46Å; Q321-S325 PolarHBondContact O-N 2.98Å; Q321-S325 PolarHBondContact O-OG 3.03Å
322E78Confident78.4Confident109 Ų10984.4 Ų84.451%0.50943%0.433SS..Hα-helixtrans-67.5-44.1174.7-75.6-167.3-169.600112.2Q318 M319 I324 S325 K326Q318-E322 PolarHBondContact O-N 2.69Å; M319-E322 PolarHBondContact O-N 3.13Å; E322-I324 VanDerWaalsContact C-N 3.34Å; E322-S325 PolarHBondContact O-N 3.25Å; E322-K326 VanDerWaalsContact O-CG 3.32Å; E322-K326 WeakPolarHBondContact O-CG 3.46Å; E322-K326 PolarHBondContact O-N 3.48Å; E322-K326 IonicContact OE2-NZ 3.37Å; E322-K326 PolarHBondContact OE2-NZ 3.3Å
323V77.7Confident78.4Confident10 Ų1090.3 Ų90.36%0.06146%0.458CS..Hα-helixtrans-63.1-42.6177.51720000110.1E307 M308 M319 L320 S325 K326 M327E307-V323 HydrophobicContact CB-CG1 3.95Å; E307-V323 HydrophobicContact CB-CG2 4.19Å; M308-V323 HydrophobicContact CG-CG1 3.86Å; M319-V323 WeakPolarHBondContact O-CB 3.15Å; M319-V323 VanDerWaalsContact O-CG2 3.24Å; M319-V323 WeakPolarHBondContact O-CG2 3.39Å; M319-V323 PolarHBondContact O-N 2.97Å; L320-V323 PolarHBondContact O-N 2.78Å; V323-S325 VanDerWaalsContact C-N 3.32Å; V323-S325 PolarHBondContact O-N 3.2Å; V323-K326 PolarHBondContact O-N 3.01Å; V323-M327 HydrophobicContact CG1-CE 3.36Å; V323-M327 HydrophobicContact CG1-SD 4.33Å; V323-M327 WeakPolarHBondContact O-CG 3.48Å; V323-M327 PolarHBondContact O-N 2.87Å
324I76.9Confident78.5Confident45 Ų4591.7 Ų91.723%0.23146%0.462CS..Hα-helixtrans-62.4-37.3174.4-74.6167.4000112.3M308 L320 E322 K326 A332 M336M308-I324 HydrophobicContact CE-CG1 3.69Å; L320-I324 HydrophobicContact CD1-CD1 4.32Å; L320-I324 HydrophobicContact CG-CD1 3.92Å; L320-I324 WeakPolarHBondContact O-CB 3.22Å; L320-I324 WeakPolarHBondContact O-CD1 3.5Å; L320-I324 WeakPolarHBondContact O-CG1 3.36Å; L320-I324 PolarHBondContact O-N 3.2Å; E322-I324 VanDerWaalsContact C-N 3.34Å; I324-K326 VanDerWaalsContact C-N 3.34Å; I324-A332 HydrophobicContact CG2-CB 4.11Å; I324-M336 HydrophobicContact CD1-CE 3.25Å
325S78.6Confident78.6Confident102 Ų10287.6 Ų87.671%0.71344%0.439SS*.Hα-helixtrans-75.5-22.7-179.6-60.40000113.3Q321 E322 V323Q321-S325 WeakPolarHBondContact O-CB 3.46Å; Q321-S325 PolarHBondContact O-N 2.98Å; Q321-S325 PolarHBondContact O-OG 3.03Å; E322-S325 PolarHBondContact O-N 3.25Å; V323-S325 VanDerWaalsContact C-N 3.32Å; V323-S325 PolarHBondContact O-N 3.2Å
326K79.6Confident78.7Confident157 Ų15780.8 Ų80.868%0.68341%0.41SS*.Hα-helixtrans-87.4-21.5177.2-71.5167.8-172.6161.20112.9E322 V323 I324E322-K326 VanDerWaalsContact O-CG 3.32Å; E322-K326 WeakPolarHBondContact O-CG 3.46Å; E322-K326 PolarHBondContact O-N 3.48Å; E322-K326 IonicContact OE2-NZ 3.37Å; E322-K326 PolarHBondContact OE2-NZ 3.3Å; V323-K326 PolarHBondContact O-N 3.01Å; I324-K326 VanDerWaalsContact C-N 3.34Å
327M76Confident78.9Confident36 Ų3683.9 Ų83.918%0.17742%0.42CS..SBendtrans-81.6163.3177.5-74.8-178.8-169.800112.7P305 M308 V323 A332P305-M327 HydrophobicContact CB-CE 3.92Å; P305-M327 HydrophobicContact CG-CE 3.89Å; M308-M327 HydrophobicContact CE-CE 4.17Å; M308-M327 HydrophobicContact CE-SD 3.62Å; M308-M327 HydrophobicContact CG-CE 4.23Å; V323-M327 HydrophobicContact CG1-CE 3.36Å; V323-M327 HydrophobicContact CG1-SD 4.33Å; V323-M327 WeakPolarHBondContact O-CG 3.48Å; V323-M327 PolarHBondContact O-N 2.87Å; M327-A332 HydrophobicContact CB-CB 4.29Å
328D82.5Confident79.4Confident79 Ų7983.5 Ų83.542%0.42241%0.413SS..  trans-60.3131.6172.2-178.4-91000110.4T330 E331 A332D328-T330 PolarHBondContact O-N 2.86Å; D328-T330 VanDerWaalsContact O-N 3.07Å; D328-T330 WeakPolarHBondContact OD1-CA 3.44Å; D328-T330 VanDerWaalsContact OD1-CB 3.23Å; D328-T330 WeakPolarHBondContact OD1-CB 3.23Å; D328-T330 PolarHBondContact OD1-N 3.14Å; D328-T330 PolarHBondContact OD1-OG1 3.46Å; D328-E331 HydrophobicContact CB-CB 4.35Å; D328-E331 HydrophobicContact CB-CG 4.19Å; D328-E331 PolarHBondContact O-N 3.09Å; D328-E331 VanDerWaalsContact O-N 3.09Å; D328-A332 PolarHBondContact O-N 3.09Å
329P78Confident79.8Confident103 Ų10376.8 Ų76.867%0.66938%0.382SS*.Hα-helixtrans-57.4-27.6-175.6-2734.4000114.4K333P329-K333 WeakPolarHBondContact O-CB 3.32Å; P329-K333 PolarHBondContact O-N 3.28Å
330T79.4Confident80.1Confident91 Ų9175.7 Ų75.756%0.55838%0.377SS*.Hα-helixtrans-76.7-41.2179.1-4.70000111.4D328 Q334D328-T330 PolarHBondContact O-N 2.86Å; D328-T330 VanDerWaalsContact O-N 3.07Å; D328-T330 WeakPolarHBondContact OD1-CA 3.44Å; D328-T330 VanDerWaalsContact OD1-CB 3.23Å; D328-T330 WeakPolarHBondContact OD1-CB 3.23Å; D328-T330 PolarHBondContact OD1-N 3.14Å; D328-T330 PolarHBondContact OD1-OG1 3.46Å; T330-Q334 WeakPolarHBondContact O-CG 3.39Å; T330-Q334 PolarHBondContact O-N 3.09Å
331E80Confident80.4Confident106 Ų10677.8 Ų77.850%0.49539%0.388SS..Hα-helixtrans-70.1-44.3177-65.8-177.8166.300111.6D328 K333 Q334 H335D328-E331 HydrophobicContact CB-CB 4.35Å; D328-E331 HydrophobicContact CB-CG 4.19Å; D328-E331 PolarHBondContact O-N 3.09Å; D328-E331 VanDerWaalsContact O-N 3.09Å; E331-K333 VanDerWaalsContact C-N 3.3Å; E331-K333 PolarHBondContact O-N 3.47Å; E331-Q334 WeakPolarHBondContact O-CB 3.45Å; E331-Q334 PolarHBondContact O-N 3.2Å; E331-Q334 VanDerWaalsContact O-N 3.07Å; E331-H335 PolarHBondContact O-CD2 2.85Å; E331-H335 VanDerWaalsContact O-CD2 3.22Å; E331-H335 PolarHBondContact O-N 2.93Å
332A79.9Confident80.9Confident6 Ų672.2 Ų72.25%0.0536%0.362CS..Hα-helixtrans-60.5-39.8178.900000112.2I324 M327 D328 Q334 M336I324-A332 HydrophobicContact CG2-CB 4.11Å; M327-A332 HydrophobicContact CB-CB 4.29Å; D328-A332 PolarHBondContact O-N 3.09Å; A332-Q334 VanDerWaalsContact C-N 3.35Å; A332-M336 VanDerWaalsContact O-CB 3.24Å; A332-M336 WeakPolarHBondContact O-CB 3.42Å; A332-M336 PolarHBondContact O-N 3.03Å
333K81Confident81Confident162 Ų16268.7 Ų68.770%0.70436%0.356SS*.Hα-helixtrans-65.9-36.6175.4-172.3177.1-179179.30112.2P329 E331 K337P329-K333 WeakPolarHBondContact O-CB 3.32Å; P329-K333 PolarHBondContact O-N 3.28Å; E331-K333 VanDerWaalsContact C-N 3.3Å; E331-K333 PolarHBondContact O-N 3.47Å; K333-K337 VanDerWaalsContact O-CB 3.25Å; K333-K337 WeakPolarHBondContact O-CB 3.32Å; K333-K337 PolarHBondContact O-N 3.2Å
334Q84.7Confident81.2Confident122 Ų12270.6 Ų70.657%0.5737%0.365SS*.Hα-helixtrans-68.3-47.9177-72.9176.311.200111.6T330 E331 A332 K337 R338T330-Q334 WeakPolarHBondContact O-CG 3.39Å; T330-Q334 PolarHBondContact O-N 3.09Å; E331-Q334 WeakPolarHBondContact O-CB 3.45Å; E331-Q334 PolarHBondContact O-N 3.2Å; E331-Q334 VanDerWaalsContact O-N 3.07Å; A332-Q334 VanDerWaalsContact C-N 3.35Å; Q334-K337 PolarHBondContact O-N 3.1Å; Q334-R338 WeakPolarHBondContact O-CD 3.24Å; Q334-R338 VanDerWaalsContact O-CG 3.23Å; Q334-R338 WeakPolarHBondContact O-CG 3.35Å; Q334-R338 PolarHBondContact O-N 3.45Å; Q334-R338 VanDerWaalsContact O-N 3.08Å
335H84.3Confident81.3Confident31 Ų3171.9 Ų71.914%0.14437%0.367CS..Hα-helixtrans-64.3-42.9177.6-72.2-67.6000112.2L304 M308 E331 R338 C339L304-H335 HydrophobicContact CD2-CB 3.99Å; M308-H335 HydrophobicContact CE-CB 4.31Å; M308-H335 HydrophobicContact SD-CB 4.11Å; E331-H335 PolarHBondContact O-CD2 2.85Å; E331-H335 VanDerWaalsContact O-CD2 3.22Å; E331-H335 PolarHBondContact O-N 2.93Å; H335-R338 PolarHBondContact O-N 2.97Å; H335-C339 PolarHBondContact O-N 3.43Å; H335-C339 PolarHBondContact O-SG 3.23Å
336M81.1Confident81.2Confident38 Ų3872 Ų7219%0.18736%0.363CS..Hα-helixtrans-64.5-41.9177.6-176.653.664.700112.3L320 I324 A332 R338 C339 I340 W345L320-M336 HydrophobicContact CD2-CE 4.27Å; I324-M336 HydrophobicContact CD1-CE 3.25Å; A332-M336 VanDerWaalsContact O-CB 3.24Å; A332-M336 WeakPolarHBondContact O-CB 3.42Å; A332-M336 PolarHBondContact O-N 3.03Å; M336-R338 VanDerWaalsContact C-N 3.3Å; M336-R338 PolarHBondContact O-N 2.99Å; M336-C339 WeakPolarHBondContact O-CB 3.25Å; M336-C339 PolarHBondContact O-N 2.99Å; M336-I340 HydrophobicContact CG-CD1 4.13Å; M336-I340 WeakPolarHBondContact O-CG1 3.48Å; M336-I340 PolarHBondContact O-N 3.08Å; M336-I340 HydrophobicContact SD-CD1 4.37Å; M336-I340 HydrophobicContact SD-CG1 4.46Å; M336-W345 HydrophobicContact SD-CB 4.44Å; M336-W345 HydrophobicContact SD-CG 3.96Å
337K82.7Confident80.6Confident131 Ų13168 Ų6857%0.5735%0.354SS*.Hα-helixtrans-59.4-43174.3-176.5178.6176.9-171.90111.3K333 Q334 C339 I340 D341K333-K337 VanDerWaalsContact O-CB 3.25Å; K333-K337 WeakPolarHBondContact O-CB 3.32Å; K333-K337 PolarHBondContact O-N 3.2Å; Q334-K337 PolarHBondContact O-N 3.1Å; K337-C339 VanDerWaalsContact C-N 3.35Å; K337-C339 PolarHBondContact O-N 3.41Å; K337-I340 PolarHBondContact O-N 3.03Å; K337-D341 WeakPolarHBondContact CE-OD2 3.39Å; K337-D341 WeakPolarHBondContact CG-OD2 3.46Å; K337-D341 WeakPolarHBondContact O-CB 3.33Å; K337-D341 PolarHBondContact O-N 3.46Å
338R84.1Confident79.8Confident84 Ų8473.8 Ų73.832%0.31739%0.385SS..Hα-helixtrans-64.8-36.3176.3-67.3165.168.7-157.5-2.1112.5L295 V300 S303 Q334 H335 M336 I340 S342L295-R338 HydrophobicContact CD1-CB 4.09Å; L295-R338 HydrophobicContact CD1-CG 4.15Å; V300-R338 HydrophobicContact CG1-CB 4.03Å; S303-R338 PolarHBondContact OG-NH2 3.37Å; Q334-R338 WeakPolarHBondContact O-CD 3.24Å; Q334-R338 VanDerWaalsContact O-CG 3.23Å; Q334-R338 WeakPolarHBondContact O-CG 3.35Å; Q334-R338 PolarHBondContact O-N 3.45Å; Q334-R338 VanDerWaalsContact O-N 3.08Å; H335-R338 PolarHBondContact O-N 2.97Å; M336-R338 VanDerWaalsContact C-N 3.3Å; M336-R338 PolarHBondContact O-N 2.99Å; R338-I340 VanDerWaalsContact C-N 3.31Å; R338-S342 WeakPolarHBondContact O-CB 3.32Å; R338-S342 PolarHBondContact O-N 3.46Å; R338-S342 PolarHBondContact O-OG 2.95Å
339C83.4Confident78.3Confident1 Ų174.4 Ų74.41%0.00740%0.401CS..Hα-helixtrans-65.2-35.2174.1-63.80000112F312 H335 M336 K337 S342 G343 L344 W345F312-C339 HydrophobicContact CZ-CB 4.32Å; H335-C339 PolarHBondContact O-N 3.43Å; H335-C339 PolarHBondContact O-SG 3.23Å; M336-C339 WeakPolarHBondContact O-CB 3.25Å; M336-C339 PolarHBondContact O-N 2.99Å; K337-C339 VanDerWaalsContact C-N 3.35Å; K337-C339 PolarHBondContact O-N 3.41Å; C339-S342 PolarHBondContact O-OG 2.95Å; C339-G343 PolarHBondContact O-N 3.28Å; C339-L344 HydrophobicContact CB-CB 4.25Å; C339-L344 WeakPolarHBondContact O-CB 3.24Å; C339-L344 PolarHBondContact O-N 3.07Å; C339-W345 HydrophobicContact CB-CB 3.93Å; C339-W345 PolarHBondContact O-N 3.07Å
340I83.8Confident76.4Confident53 Ų5378.5 Ų78.527%0.27241%0.409SS..Hα-helixtrans-73.6-47.4176.2-63162000110.9M336 K337 R338 S342 G343 W345 P347M336-I340 HydrophobicContact CG-CD1 4.13Å; M336-I340 WeakPolarHBondContact O-CG1 3.48Å; M336-I340 PolarHBondContact O-N 3.08Å; M336-I340 HydrophobicContact SD-CD1 4.37Å; M336-I340 HydrophobicContact SD-CG1 4.46Å; K337-I340 PolarHBondContact O-N 3.03Å; R338-I340 VanDerWaalsContact C-N 3.31Å; I340-S342 PolarHBondContact O-N 2.95Å; I340-G343 PolarHBondContact O-N 3.22Å; I340-W345 WeakPolarHBondContact CA-O 3.49Å; I340-W345 HydrophobicContact CG1-CB 4.46Å; I340-P347 HydrophobicContact CB-CG 4.47Å; I340-P347 HydrophobicContact CD1-CG 3.54Å; I340-P347 HydrophobicContact CG1-CG 3.67Å; I340-P347 HydrophobicContact CG2-CG 3.92Å
341D82.7Confident74.4Confident49 Ų4980.4 Ų80.426%0.26242%0.42SS..Hα-helixtrans-66.3-25.6-178.1-69.6-14.3000112.1G291 G293 L295 K337G291-D341 CarbonylContact C-O 3.58Å; G293-D341 CarbonylContact C-O 3.59Å; G293-D341 WeakPolarHBondContact CA-O 3.15Å; G293-D341 PolarHBondContact N-O 3.37Å; L295-D341 HydrophobicContact CD1-CB 3.75Å; L295-D341 HydrophobicContact CG-CB 4.2Å; K337-D341 WeakPolarHBondContact CE-OD2 3.39Å; K337-D341 WeakPolarHBondContact CG-OD2 3.46Å; K337-D341 WeakPolarHBondContact O-CB 3.33Å; K337-D341 PolarHBondContact O-N 3.46Å
342S83.6Confident72Confident1 Ų182.8 Ų82.81%0.00744%0.436CS..THydrogen-bonded Turntrans-89.5-7.6171.355.70000114.4G291 L295 P297 R338 C339 I340 L344G291-S342 WeakPolarHBondContact CA-O 3.38Å; L295-S342 WeakPolarHBondContact O-CA 3.36Å; P297-S342 VanDerWaalsContact CG-O 3.3Å; P297-S342 WeakPolarHBondContact CG-O 3.47Å; R338-S342 WeakPolarHBondContact O-CB 3.32Å; R338-S342 PolarHBondContact O-N 3.46Å; R338-S342 PolarHBondContact O-OG 2.95Å; C339-S342 PolarHBondContact O-OG 2.95Å; I340-S342 PolarHBondContact O-N 2.95Å; S342-L344 VanDerWaalsContact C-N 3.28Å; S342-L344 PolarHBondContact O-N 2.96Å
343G80.3Confident69.9Low36 Ų3689.3 Ų89.337%0.37148%0.475SS..THydrogen-bonded Turntrans78.73.6-177.700000115.2C339 I340 W345C339-G343 PolarHBondContact O-N 3.28Å; I340-G343 PolarHBondContact O-N 3.22Å; G343-W345 PolarHBondContact O-N 3.33Å
344L82.8Confident67.6Low50 Ų5090.9 Ų90.926%0.26249%0.485SS..SBendtrans-61.9-28.5170.8-78165.5000112.8P297 V300 C339 S342P297-L344 HydrophobicContact CB-CD2 4.28Å; P297-L344 HydrophobicContact CB-CG 4.15Å; P297-L344 WeakPolarHBondContact O-CD1 3.33Å; V300-L344 HydrophobicContact CB-CD1 3.83Å; V300-L344 HydrophobicContact CG1-CD1 3.63Å; C339-L344 HydrophobicContact CB-CB 4.25Å; C339-L344 WeakPolarHBondContact O-CB 3.24Å; C339-L344 PolarHBondContact O-N 3.07Å; S342-L344 VanDerWaalsContact C-N 3.28Å; S342-L344 PolarHBondContact O-N 2.96Å
345W78.7Confident65.2Low72 Ų7288.4 Ų88.427%0.27349%0.492SS..  trans-136.3121.3179.3-176.5-93.1000111.3F312 I317 L320 M336 C339 I340 G343 P347F312-W345 HydrophobicContact CE1-CE3 4.14Å; I317-W345 HydrophobicContact CB-CH2 4.42Å; I317-W345 HydrophobicContact CD1-CH2 4.27Å; I317-W345 HydrophobicContact CG1-CH2 3.94Å; I317-W345 HydrophobicContact CG1-CZ3 4.14Å; I317-W345 HydrophobicContact CG2-CH2 3.84Å; L320-W345 HydrophobicContact CD2-CE3 3.97Å; L320-W345 HydrophobicContact CD2-CH2 4.36Å; L320-W345 HydrophobicContact CD2-CZ3 3.8Å; M336-W345 HydrophobicContact SD-CB 4.44Å; M336-W345 HydrophobicContact SD-CG 3.96Å; C339-W345 HydrophobicContact CB-CB 3.93Å; C339-W345 PolarHBondContact O-N 3.07Å; I340-W345 WeakPolarHBondContact CA-O 3.49Å; I340-W345 HydrophobicContact CG1-CB 4.46Å; G343-W345 PolarHBondContact O-N 3.33Å; W345-P347 WeakPolarHBondContact O-CD 3.23Å
346V76.7Confident62.5Low104 Ų10495.9 Ų95.963%0.6352%0.524SS*.  trans-100.3112.8176.3-177.20000109.3N348V346-N348 PolarHBondContact O-N 3.28Å
347P66.5Low60.4Low74 Ų74102 Ų10248%0.48156%0.558SS.*THydrogen-bonded Turntrans-62.1121.8177.8-22.334.7000111.2I340 W345I340-P347 HydrophobicContact CB-CG 4.47Å; I340-P347 HydrophobicContact CD1-CG 3.54Å; I340-P347 HydrophobicContact CG1-CG 3.67Å; I340-P347 HydrophobicContact CG2-CG 3.92Å; W345-P347 WeakPolarHBondContact O-CD 3.23Å
348N60.6Low57.9Low156 Ų156103.7 Ų103.783%0.83457%0.568SS**THydrogen-bonded Turntrans64.665.2178.9-73.9-13.1000117.1V346 K350V346-N348 PolarHBondContact O-N 3.28Å; N348-K350 PolarHBondContact O-N 2.75Å
349A49.5Very low55.2Low93 Ų93107.9 Ų107.977%0.76959%0.591SS**  trans-75.544163.100000114.3
350K38Very low52.7Low188 Ų188113.1 Ų113.182%0.81763%0.625SS**  trans-143.8100.4163.5-67.4-174.5-178.5179.80104.7N348N348-K350 PolarHBondContact O-N 2.75Å
351V39.1Very low49.9Very low132 Ų132116.6 Ų116.680%0.865%0.649SS**SBend-151118.467.2-166.70000108.1
352D28.9Very low47.3Very low156 Ų156124.6 Ų124.683%0.83468%0.677SS**  trans17485.4137.7-86.6-14.4000107.6
353V34.9Very low44.7Very low143 Ų143133.2 Ų133.287%0.86772%0.717SS**  trans-89.2103.8154.4177.40000105
354E32.6Very low42.2Very low195 Ų195140 Ų14091%0.91174%0.739SS**  trans-160.5100.8144.5-110.7175.6-156.200110.6
355G35.4Very low39.8Very low70 Ų70144.2 Ų144.272%0.72277%0.766SS**  trans79.596.3144.700000118.7
356K28Very low37.4Very low188 Ų188149.9 Ų149.982%0.81779%0.793SS**  -171.2109.1120.5-102.9173-177.1-170.10110.2E358K356-E358 PolarHBondContact O-N 3.23Å
357D36.9Very low35.2Very low167 Ų167152.9 Ų152.989%0.89380%0.8SS**  trans-61.6117.7156.8-66.7-52.7000108.1
358E29.5Very low33.6Very low166 Ų166158.8 Ų158.878%0.77682%0.821SS**  trans-128.5104.1154.3-76.6-173.2-178.600107.1K356K356-E358 PolarHBondContact O-N 3.23Å
359E27.2Very low32.2Very low172 Ų172159.4 Ų159.480%0.80482%0.819SS**  trans-53143166.2-71.9-179.814500109.8T361E359-T361 PolarHBondContact O-N 3Å
360P31.5Very low31.4Very low110 Ų110164.2 Ų164.271%0.71483%0.826SS**  trans-68.6105.5168.928.1-29.4000108.2Y362P360-Y362 PolarHBondContact O-N 3.17Å; P360-Y362 VanDerWaalsContact O-N 3.14Å
361T24.5Very low31.1Very low127 Ų127164.1 Ų164.178%0.77983%0.828SS**  trans-62.7111166.2-42.80000107.2E359 E363E359-T361 PolarHBondContact O-N 3Å; T361-E363 PolarHBondContact O-N 3.41Å; T361-E363 VanDerWaalsContact O-N 3.12Å
362Y28.7Very low30.9Very low217 Ų217164.2 Ų164.285%0.85183%0.829SS**  trans-68.2100.9164.4-78.5-94.5000107.7P360 E364P360-Y362 PolarHBondContact O-N 3.17Å; P360-Y362 VanDerWaalsContact O-N 3.14Å; Y362-E364 PolarHBondContact O-N 3.35Å
363E28.6Very low31.1Very low181 Ų181166.1 Ų166.185%0.84683%0.83SS**  trans-77.496.3158.8-84.7-170.7158.400107.9T361 V365T361-E363 PolarHBondContact O-N 3.41Å; T361-E363 VanDerWaalsContact O-N 3.12Å; E363-V365 PolarHBondContact O-N 3.07Å; E363-V365 VanDerWaalsContact O-N 3.15Å
364E27.6Very low31.2Very low179 Ų179169 Ų16984%0.83683%0.831SS**  trans-54.7113.6163-75.9179.8150.900109.3Y362 K366Y362-E364 PolarHBondContact O-N 3.35Å; E364-K366 PolarHBondContact O-N 2.95Å
365V32.3Very low31.3Very low139 Ų139172.6 Ų172.684%0.84285%0.848SS**  trans-60.9108162.9178.40000107.2E363 Q367E363-V365 PolarHBondContact O-N 3.07Å; E363-V365 VanDerWaalsContact O-N 3.15Å; V365-Q367 PolarHBondContact O-N 3.09Å
366K29.2Very low31.1Very low190 Ų190177.8 Ų177.883%0.82685%0.854SS**  trans-57.2119.4170.5-81.4180175.4176.30109.5E364 E368E364-K366 PolarHBondContact O-N 2.95Å; K366-E368 PolarHBondContact O-N 3.28Å
367Q30Very low31.3Very low168 Ų168177.2 Ų177.279%0.78586%0.856SS**  trans-64.4112.9158.3-72.1177.6-17.500108.3V365 Q369V365-Q367 PolarHBondContact O-N 3.09Å; Q367-Q369 PolarHBondContact O-N 2.94Å
368E31.8Very low31Very low197 Ų197177.8 Ų177.892%0.92185%0.854SS**  trans-74.7100.4159.2-82.1-173.5157.300108K366K366-E368 PolarHBondContact O-N 3.28Å
369Q31.1Very low31.1Very low169 Ų169178.5 Ų178.579%0.7986%0.859SS**  trans-84.1130.5158.6-75.9-177.5-11.900108.9Q367 E371Q367-Q369 PolarHBondContact O-N 2.94Å; Q369-E371 PolarHBondContact O-N 2.51Å
370E32.5Very low31.3Very low195 Ų195178.9 Ų178.991%0.91186%0.862SS**  trans-53.9128.5162.2-73.1177.4125.800111
371E33.1Very low31.3Very low186 Ų186183.5 Ų183.587%0.86987%0.872SS**  trans-130.7114.5151-103.7-170172.700111.4Q369Q369-E371 PolarHBondContact O-N 2.51Å
372T34.3Very low31.8Very low133 Ų133187.5 Ų187.582%0.81688%0.878SS**  trans-23.8131.3151.213.90000116.6
373K34.1Very low32Very low197 Ų197185.2 Ų185.286%0.85788%0.881SS**  trans-136.6119.8144.2-76.1-176.7177.8177.80105.3
374K35.7Very low32.3Very low204 Ų204185.6 Ų185.689%0.88788%0.883SS**  40.377.854.8-85-165.8-178.71800112.6
375E35.8Very low32.7Very low270 Ų270186.2 Ų186.2100%1.26289%0.888SS**  -142.80117.5-107.4178.4172.900109.6

Retrieved 375 of 375 residues in 190 ms (Link to these results)

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