A0A087XFG6_POEFO Loading...

DNA fragmentation factor, alpha polypeptide

AlphaFold DB , UniProt , Accession A0A087XFG6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M40.9Very low76.8Confident243 Ų24368.6 Ų68.6100%1.19737%0.371SS*.  0106.50-65.4179.9179.300105.6D3M1-D3 PolarHBondContact O-N 3.36Å; M1-D3 VanDerWaalsContact O-N 3.16Å
2T49.1Very low77.2Confident123 Ų12369.3 Ų69.376%0.75537%0.368SS*.  trans-78.2100.8-178.146.90000107.8G4T2-G4 PolarHBondContact O-N 3.31Å
3D64.5Low77.2Confident159 Ų15969.6 Ų69.685%0.8538%0.375SS*.  trans-65.198.8178.3-136.2-5.9000107.9M1 R5M1-D3 PolarHBondContact O-N 3.36Å; M1-D3 VanDerWaalsContact O-N 3.16Å; D3-R5 PolarHBondContact O-N 3.49Å
4G74.5Confident77.5Confident26 Ų2668.2 Ų68.227%0.26836%0.361SS..PPolyproline II helixtrans-75.5128-173.200000110.1T2 P6 I21T2-G4 PolarHBondContact O-N 3.31Å; G4-P6 WeakPolarHBondContact O-CD 3.28Å; G4-I21 VanDerWaalsContact CA-CG2 3.45Å
5R84.1Confident77.4Confident18 Ų1874.9 Ų74.97%0.06839%0.389CS..EExtended strand (participates in β ladder)trans-82.2123.2176.6174.1135171.3-91.3-4.8109.9D3 C7 I21 V22 F61 L64 P65 F66D3-R5 PolarHBondContact O-N 3.49Å; R5-C7 PolarHBondContact O-N 3.06Å; R5-I21 WeakPolarHBondContact O-CA 3.03Å; R5-V22 WeakPolarHBondContact CB-O 3.38Å; R5-V22 PolarHBondContact N-O 3.35Å; R5-V22 PolarHBondContact O-N 2.97Å; R5-F61 PolarHBondContact NH1-O 3.48Å; R5-F61 PolarHBondContact NH2-O 3.39Å; R5-L64 VanDerWaalsContact CZ-O 3.26Å; R5-L64 PolarHBondContact NH2-O 3.26Å; R5-P65 PolarHBondContact NH2-O 3.37Å; R5-F66 HydrophobicContact CB-CE1 4.32Å; R5-F66 HydrophobicContact CG-CD1 3.75Å; R5-F66 HydrophobicContact CG-CE1 3.93Å
6P88Confident77.3Confident42 Ų4277.6 Ų77.627%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-70.8129.6172.828.9-36.1000110.5G4 I21 F66 N67G4-P6 WeakPolarHBondContact O-CD 3.28Å; P6-I21 HydrophobicContact CB-CG1 4.45Å; P6-F66 HydrophobicContact CG-CB 4.35Å; P6-F66 HydrophobicContact CG-CD1 4.09Å; P6-N67 WeakPolarHBondContact O-CA 3.28Å; P6-N67 PolarHBondContact O-N 3.4Å
7C88.8Confident77.9Confident2 Ų277.6 Ų77.61%0.01441%0.406CS..EExtended strand (participates in β ladder)trans-135.1158.5179.3-62.20000109.5R5 G19 V20 V22 L28 F70R5-C7 PolarHBondContact O-N 3.06Å; C7-G19 CarbonylContact O-C 3.54Å; C7-G19 WeakPolarHBondContact O-CA 3.49Å; C7-V20 PolarHBondContact N-O 3.47Å; C7-V20 PolarHBondContact O-N 3.22Å; C7-V20 VanDerWaalsContact O-O 3.13Å; C7-V22 HydrophobicContact CB-CG2 4.41Å; C7-L28 HydrophobicContact CB-CD1 3.87Å; C7-F70 HydrophobicContact CB-CD2 4.1Å; C7-F70 HydrophobicContact CB-CE2 4Å
8K91.8Very high78.4Confident103 Ų10377.9 Ų77.945%0.44840%0.402SS..EExtended strand (participates in β ladder)trans-111.8137.6170.4-65.8179-177.5177.20108.9Y18 T68 K69 F70K8-Y18 CarbonylContact C-O 3.51Å; K8-Y18 WeakPolarHBondContact CA-O 3.42Å; K8-T68 PolarHBondContact N-O 3.03Å; K8-K69 HydrophobicContact CB-CB 4.2Å; K8-K69 HydrophobicContact CB-CG 4.1Å; K8-K69 CarbonylContact O-C 3.56Å; K8-K69 WeakPolarHBondContact O-CA 3.46Å; K8-F70 PolarHBondContact O-N 3.28Å
9V90.7Very high79Confident1 Ų177.4 Ų77.41%0.00642%0.417CS..EExtended strand (participates in β ladder)trans-123.3136.5179.3171.70000109.3S17 Y18 V20 L28 L36 F70 L72V9-S17 CarbonylContact O-C 3.26Å; V9-S17 VanDerWaalsContact O-CA 3.24Å; V9-S17 WeakPolarHBondContact O-CA 3.45Å; V9-Y18 PolarHBondContact N-O 2.91Å; V9-Y18 PolarHBondContact O-N 3.17Å; V9-V20 HydrophobicContact CB-CG2 4.47Å; V9-V20 HydrophobicContact CG2-CG2 4.22Å; V9-L28 HydrophobicContact CG2-CD1 3.54Å; V9-L28 HydrophobicContact CG2-CG 4.19Å; V9-L36 HydrophobicContact CG1-CD1 3.8Å; V9-L36 HydrophobicContact CG1-CG 4.28Å; V9-F70 CarbonylContact C-O 3.52Å; V9-F70 WeakPolarHBondContact CA-O 3.38Å; V9-L72 HydrophobicContact CG1-CD1 3.7Å; V9-L72 HydrophobicContact CG1-CD2 4.47Å
10C88.1Confident79.5Confident0 Ų073.9 Ų73.90%040%0.398CS..EExtended strand (participates in β ladder)trans-133.7160.117463.90000112.3K16 F70 M71 L72C10-K16 VanDerWaalsContact CA-O 3.25Å; C10-K16 WeakPolarHBondContact CA-O 3.43Å; C10-K16 VanDerWaalsContact CB-O 3.3Å; C10-K16 WeakPolarHBondContact CB-O 3.15Å; C10-F70 PolarHBondContact N-O 3Å; C10-F70 PolarHBondContact SG-O 3.18Å; C10-F70 VanDerWaalsContact SG-O 3.34Å; C10-M71 WeakPolarHBondContact O-CA 3.32Å; C10-L72 PolarHBondContact O-N 2.93Å; C10-L72 VanDerWaalsContact O-N 3.16Å
11N84.1Confident80Confident38 Ų3875.4 Ų75.420%0.20341%0.405CS..EExtended strand (participates in β ladder)trans-81.9168.7171.366.1-21.5000111.6T13 R14 Q15 K16 L36N11-T13 PolarHBondContact ND2-OG1 3.34Å; N11-T13 PolarHBondContact O-N 3.03Å; N11-T13 VanDerWaalsContact O-N 3.14Å; N11-T13 PolarHBondContact OD1-OG1 3.26Å; N11-R14 PolarHBondContact O-N 2.85Å; N11-R14 PolarHBondContact OD1-N 3.13Å; N11-Q15 PolarHBondContact OD1-N 3.06Å; N11-K16 PolarHBondContact N-O 3.44Å; N11-K16 PolarHBondContact OD1-N 3.43Å; N11-K16 PolarHBondContact OD1-O 3.08Å; N11-L36 HydrophobicContact CB-CD1 4.44Å; N11-L36 HydrophobicContact CB-CD2 4.04Å
12F81.6Confident82.2Confident76 Ų7663.8 Ų63.833%0.33335%0.348SS..THydrogen-bonded Turntrans-49.3-38.4175.7170.9-109.2000113.6R14 L73 E77 T78F12-R14 PolarHBondContact O-N 3.49Å; F12-L73 HydrophobicContact CB-CD2 4.06Å; F12-L73 HydrophobicContact CD2-CD2 3.81Å; F12-L73 HydrophobicContact CG-CD2 4.38Å; F12-E77 HydrophobicContact CB-CB 4.31Å; F12-E77 VanDerWaalsContact CB-CD 3.45Å; F12-E77 HydrophobicContact CB-CG 4.18Å; F12-E77 WeakPolarHBondContact CB-OE1 3.04Å; F12-E77 HydrophobicContact CD1-CG 4.32Å; F12-E77 HydrophobicContact CD2-CB 4.11Å; F12-E77 HydrophobicContact CG-CB 4.11Å; F12-E77 HydrophobicContact CG-CG 4.08Å; F12-T78 WeakPolarHBondContact CE2-O 3.42Å
13T77.1Confident84Confident74 Ų7460.5 Ų60.545%0.45433%0.329SS..THydrogen-bonded Turntrans-75.8-6.4-179.970.10000114.5N11 Q15N11-T13 PolarHBondContact ND2-OG1 3.34Å; N11-T13 PolarHBondContact O-N 3.03Å; N11-T13 VanDerWaalsContact O-N 3.14Å; N11-T13 PolarHBondContact OD1-OG1 3.26Å; T13-Q15 PolarHBondContact O-N 2.95Å
14R81.3Confident85.1Confident50 Ų5054.2 Ų54.219%0.18930%0.297CS..SBendtrans55.96.5-175.1-55.6-179.4-171.8-129.2-3.1114.8N11 F12 E49 M71 A80N11-R14 PolarHBondContact O-N 2.85Å; N11-R14 PolarHBondContact OD1-N 3.13Å; F12-R14 PolarHBondContact O-N 3.49Å; R14-E49 IonicContact CZ-OE1 4Å; R14-E49 IonicContact NE-OE1 2.66Å; R14-E49 VanDerWaalsContact NH1-CG 3.35Å; R14-E49 PolarHBondContact NH1-O 3.29Å; R14-E49 IonicContact NH1-OE1 3.61Å; R14-E49 PolarHBondContact NH1-OE1 3.44Å; R14-E49 IonicContact NH1-OE2 3.58Å; R14-E49 PolarHBondContact NH2-O 2.96Å; R14-E49 VanDerWaalsContact NH2-O 3.08Å; R14-M71 HydrophobicContact CG-CE 3.43Å; R14-M71 VanDerWaalsContact CG-CE 3.43Å; R14-A80 PolarHBondContact NH2-O 3.4Å
15Q76Confident85.8Confident168 Ų16853.2 Ų53.279%0.78529%0.286SS*.SBendtrans-76.7-28.8-178.7-71.8-175.2-17.100112.6N11 T13N11-Q15 PolarHBondContact OD1-N 3.06Å; T13-Q15 PolarHBondContact O-N 2.95Å
16K76.7Confident86Confident119 Ų11957 Ų5752%0.51731%0.307SS..  trans-115127.9177.9-64.9-177.6-180178.30109.1C10 N11 Y18C10-K16 VanDerWaalsContact CA-O 3.25Å; C10-K16 WeakPolarHBondContact CA-O 3.43Å; C10-K16 VanDerWaalsContact CB-O 3.3Å; C10-K16 WeakPolarHBondContact CB-O 3.15Å; N11-K16 PolarHBondContact N-O 3.44Å; N11-K16 PolarHBondContact OD1-N 3.43Å; N11-K16 PolarHBondContact OD1-O 3.08Å; K16-Y18 HydrophobicContact CB-CE2 3.94Å
17S87Confident86Confident78 Ų7857.1 Ų57.155%0.54531%0.306SS..EExtended strand (participates in β ladder)trans-134.3138.5174.469.60000110.9V9V9-S17 CarbonylContact O-C 3.26Å; V9-S17 VanDerWaalsContact O-CA 3.24Å; V9-S17 WeakPolarHBondContact O-CA 3.45Å
18Y86.6Confident86Confident83 Ų8357 Ų5733%0.32531%0.305SS..EExtended strand (participates in β ladder)trans-128.7136.1-176.2-62.6-84.5000109.5K8 V9 K16 F35 L36K8-Y18 CarbonylContact C-O 3.51Å; K8-Y18 WeakPolarHBondContact CA-O 3.42Å; V9-Y18 PolarHBondContact N-O 2.91Å; V9-Y18 PolarHBondContact O-N 3.17Å; K16-Y18 HydrophobicContact CB-CE2 3.94Å; Y18-F35 HydrophobicContact CD1-CB 4.31Å; Y18-F35 HydrophobicContact CD1-CD1 4.32Å; Y18-F35 HydrophobicContact CD2-CB 4.08Å; Y18-F35 HydrophobicContact CG-CB 3.98Å; Y18-F35 HydrophobicContact CG-CG 4.44Å; Y18-L36 HydrophobicContact CD2-CD2 3.82Å; Y18-L36 HydrophobicContact CE2-CD2 3.79Å
19G89.9Confident85.8Confident67 Ų6755 Ų5569%0.69130%0.296SS*.EExtended strand (participates in β ladder)trans-84.7126.4168.500000109.5C7C7-G19 CarbonylContact O-C 3.54Å; C7-G19 WeakPolarHBondContact O-CA 3.49Å
20V88.6Confident85.7Confident7 Ų761 Ų614%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-129.6137.1-178.2-165.30000109.2C7 V9 V22 K31 F35C7-V20 PolarHBondContact N-O 3.47Å; C7-V20 PolarHBondContact O-N 3.22Å; C7-V20 VanDerWaalsContact O-O 3.13Å; V9-V20 HydrophobicContact CB-CG2 4.47Å; V9-V20 HydrophobicContact CG2-CG2 4.22Å; V20-V22 HydrophobicContact CG1-CG1 3.71Å; V20-K31 HydrophobicContact CG1-CB 3.68Å; V20-K31 HydrophobicContact CG1-CD 3.6Å; V20-K31 HydrophobicContact CG1-CG 4.3Å; V20-F35 HydrophobicContact CG1-CE2 4.24Å; V20-F35 HydrophobicContact CG2-CD2 3.89Å; V20-F35 HydrophobicContact CG2-CE2 4.15Å
21I90.3Very high85.6Confident106 Ų10664.7 Ų64.754%0.54434%0.338SS..EExtended strand (participates in β ladder)trans-100.7117.2171.7-62.8174.6000108G4 R5 P6 K31G4-I21 VanDerWaalsContact CA-CG2 3.45Å; R5-I21 WeakPolarHBondContact O-CA 3.03Å; P6-I21 HydrophobicContact CB-CG1 4.45Å; I21-K31 PolarHBondContact O-NZ 2.95Å
22V88.4Confident85.7Confident0 Ų062.9 Ų62.90%033%0.328CS..EExtended strand (participates in β ladder)trans-136.9140.2-175.6-73.90000111.7R5 C7 V20 D27 L28 K31 F61R5-V22 WeakPolarHBondContact CB-O 3.38Å; R5-V22 PolarHBondContact N-O 3.35Å; R5-V22 PolarHBondContact O-N 2.97Å; C7-V22 HydrophobicContact CB-CG2 4.41Å; V20-V22 HydrophobicContact CG1-CG1 3.71Å; V22-D27 HydrophobicContact CB-CB 4.1Å; V22-D27 HydrophobicContact CG1-CB 3.96Å; V22-L28 HydrophobicContact CG2-CB 4.08Å; V22-L28 HydrophobicContact CG2-CD1 3.74Å; V22-K31 HydrophobicContact CG1-CB 4.49Å; V22-K31 HydrophobicContact CG1-CD 3.8Å; V22-K31 HydrophobicContact CG1-CG 4.43Å; V22-F61 HydrophobicContact CG2-CZ 4.04Å
23P86.1Confident85.8Confident54 Ų5459.7 Ų59.735%0.35132%0.316SS..SBendtrans-88.3-17.2174.933.7-31.9000112.8D27P23-D27 WeakPolarHBondContact CD-OD2 3.37Å; P23-D27 WeakPolarHBondContact CG-OD2 3.35Å
24S88.3Confident86.2Confident26 Ų2663 Ų6318%0.18233%0.326CS..SBendtrans-141.9164.2-176.972.90000113.3D26 D27 L28S24-D26 VanDerWaalsContact C-N 3.35Å; S24-D27 PolarHBondContact O-N 2.86Å; S24-D27 WeakPolarHBondContact OG-CB 3.46Å; S24-D27 PolarHBondContact OG-N 3.3Å; S24-D27 VanDerWaalsContact OG-N 3.12Å; S24-D27 PolarHBondContact OG-OD2 2.86Å; S24-L28 PolarHBondContact O-N 3.46Å
25L88.1Confident86.3Confident5 Ų565.3 Ų65.33%0.02634%0.338CS..Hα-helixtrans-66.4-36.4175.1-178.763.9000111.5D27 L28 K29 V46 V55 F61L25-D27 VanDerWaalsContact C-N 3.31Å; L25-D27 PolarHBondContact O-N 2.87Å; L25-L28 HydrophobicContact CD1-CD2 4.1Å; L25-L28 VanDerWaalsContact O-CB 3.29Å; L25-L28 WeakPolarHBondContact O-CB 3.47Å; L25-L28 PolarHBondContact O-N 3.44Å; L25-K29 PolarHBondContact O-N 3.45Å; L25-V46 HydrophobicContact CD1-CB 4.46Å; L25-V46 HydrophobicContact CD1-CG1 4.21Å; L25-V46 HydrophobicContact CD1-CG2 4.48Å; L25-V55 HydrophobicContact CD1-CG1 4.07Å; L25-V55 HydrophobicContact CD2-CG1 4.35Å; L25-F61 HydrophobicContact CB-CB 4.39Å; L25-F61 HydrophobicContact CB-CG 4.29Å; L25-F61 HydrophobicContact CD1-CD2 4.08Å; L25-F61 HydrophobicContact CD1-CG 4.4Å
26D88Confident86.4Confident97 Ų9758.9 Ų58.952%0.51931%0.309SS..Hα-helixtrans-65.6-37.1175.3-70.9-27.6000111.6S24 L28 K29 K30S24-D26 VanDerWaalsContact C-N 3.35Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-K29 PolarHBondContact O-N 2.9Å; D26-K30 WeakPolarHBondContact O-CG 3.49Å; D26-K30 PolarHBondContact O-N 2.96Å
27D88.8Confident86.3Confident46 Ų4656.6 Ų56.625%0.24632%0.319CS..Hα-helixtrans-70.4-31.5174.2-63.3-37.7000111.9V22 P23 S24 L25 K31V22-D27 HydrophobicContact CB-CB 4.1Å; V22-D27 HydrophobicContact CG1-CB 3.96Å; P23-D27 WeakPolarHBondContact CD-OD2 3.37Å; P23-D27 WeakPolarHBondContact CG-OD2 3.35Å; S24-D27 PolarHBondContact O-N 2.86Å; S24-D27 WeakPolarHBondContact OG-CB 3.46Å; S24-D27 PolarHBondContact OG-N 3.3Å; S24-D27 VanDerWaalsContact OG-N 3.12Å; S24-D27 PolarHBondContact OG-OD2 2.86Å; L25-D27 VanDerWaalsContact C-N 3.31Å; L25-D27 PolarHBondContact O-N 2.87Å; D27-K31 WeakPolarHBondContact O-CB 3.36Å; D27-K31 WeakPolarHBondContact O-CG 3.34Å; D27-K31 PolarHBondContact O-N 3.12Å
28L88.9Confident85.6Confident0 Ų054.8 Ų54.80%030%0.304CS..Hα-helixtrans-62.4-44.7170.3-170.477.1000111C7 V9 V22 S24 L25 D26 G32 V46 F61 F70C7-L28 HydrophobicContact CB-CD1 3.87Å; V9-L28 HydrophobicContact CG2-CD1 3.54Å; V9-L28 HydrophobicContact CG2-CG 4.19Å; V22-L28 HydrophobicContact CG2-CB 4.08Å; V22-L28 HydrophobicContact CG2-CD1 3.74Å; S24-L28 PolarHBondContact O-N 3.46Å; L25-L28 HydrophobicContact CD1-CD2 4.1Å; L25-L28 VanDerWaalsContact O-CB 3.29Å; L25-L28 WeakPolarHBondContact O-CB 3.47Å; L25-L28 PolarHBondContact O-N 3.44Å; D26-L28 VanDerWaalsContact C-N 3.33Å; L28-G32 VanDerWaalsContact O-CA 3.24Å; L28-G32 WeakPolarHBondContact O-CA 3.31Å; L28-G32 PolarHBondContact O-N 2.91Å; L28-V46 HydrophobicContact CD2-CG1 3.98Å; L28-F61 HydrophobicContact CD2-CE2 3.95Å; L28-F70 HydrophobicContact CD1-CD2 4.41Å; L28-F70 HydrophobicContact CD2-CB 4.14Å; L28-F70 HydrophobicContact CD2-CD1 4.17Å; L28-F70 HydrophobicContact CD2-CD2 3.87Å; L28-F70 HydrophobicContact CD2-CE2 4.31Å; L28-F70 HydrophobicContact CD2-CG 3.79Å
29K88.1Confident84.8Confident60 Ų6053.7 Ų53.726%0.26131%0.309SS..Hα-helixtrans-62.3-49.7176.7-72.6178179.6178.40111L25 D26 C33 V46L25-K29 PolarHBondContact O-N 3.45Å; D26-K29 PolarHBondContact O-N 2.9Å; K29-C33 WeakPolarHBondContact O-CB 3.35Å; K29-C33 PolarHBondContact O-N 3.38Å; K29-C33 PolarHBondContact O-SG 3.03Å; K29-V46 HydrophobicContact CD-CG2 4.22Å; K29-V46 HydrophobicContact CG-CG2 3.55Å
30K86.9Confident83.5Confident127 Ų12756.5 Ų56.555%0.55232%0.315SS*.Hα-helixtrans-61.1-58.2-179.5-70.6170.5-172.9167.80112.2D26 G32 C33 E34D26-K30 WeakPolarHBondContact O-CG 3.49Å; D26-K30 PolarHBondContact O-N 2.96Å; K30-G32 VanDerWaalsContact C-N 3.33Å; K30-G32 PolarHBondContact O-N 3.08Å; K30-C33 PolarHBondContact O-N 2.98Å; K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 3.39Å
31K87.1Confident82.3Confident77 Ų7761.4 Ų61.434%0.33535%0.35SS..Hα-helixtrans-65.8-38.2-179-66.2-169.8-171.51790111.6V20 I21 V22 D27 E34 F35V20-K31 HydrophobicContact CG1-CB 3.68Å; V20-K31 HydrophobicContact CG1-CD 3.6Å; V20-K31 HydrophobicContact CG1-CG 4.3Å; I21-K31 PolarHBondContact O-NZ 2.95Å; V22-K31 HydrophobicContact CG1-CB 4.49Å; V22-K31 HydrophobicContact CG1-CD 3.8Å; V22-K31 HydrophobicContact CG1-CG 4.43Å; D27-K31 WeakPolarHBondContact O-CB 3.36Å; D27-K31 WeakPolarHBondContact O-CG 3.34Å; D27-K31 PolarHBondContact O-N 3.12Å; K31-E34 PolarHBondContact O-N 3.37Å; K31-F35 HydrophobicContact CB-CD2 4.38Å; K31-F35 HydrophobicContact CB-CE2 4.33Å; K31-F35 WeakPolarHBondContact O-CD2 3.47Å; K31-F35 PolarHBondContact O-N 3.17Å
32G85.4Confident81.3Confident0 Ų057.3 Ų57.30%033%0.331CS..Hα-helixtrans-59.4-45.6175.500000112L28 K30 F35 L36L28-G32 VanDerWaalsContact O-CA 3.24Å; L28-G32 WeakPolarHBondContact O-CA 3.31Å; L28-G32 PolarHBondContact O-N 2.91Å; K30-G32 VanDerWaalsContact C-N 3.33Å; K30-G32 PolarHBondContact O-N 3.08Å; G32-F35 PolarHBondContact O-N 3.39Å; G32-L36 VanDerWaalsContact O-CB 3.26Å; G32-L36 WeakPolarHBondContact O-CB 3.26Å; G32-L36 WeakPolarHBondContact O-CG 3.47Å; G32-L36 PolarHBondContact O-N 2.76Å
33C84.5Confident80.8Confident10 Ų1061.2 Ų61.27%0.06836%0.356CS..Hα-helixtrans-64.6-43.6175.8-67.90000112.1K29 K30 F35 L36 G37 V38K29-C33 WeakPolarHBondContact O-CB 3.35Å; K29-C33 PolarHBondContact O-N 3.38Å; K29-C33 PolarHBondContact O-SG 3.03Å; K30-C33 PolarHBondContact O-N 2.98Å; C33-F35 PolarHBondContact O-N 3.1Å; C33-L36 PolarHBondContact O-N 3.44Å; C33-G37 PolarHBondContact O-N 3.48Å; C33-V38 HydrophobicContact CB-CB 4.18Å; C33-V38 PolarHBondContact O-N 3.11Å
34E84.8Confident80.7Confident142 Ų14259.6 Ų59.666%0.66435%0.346SS*.Hα-helixtrans-57.1-48176.3-73.6171.9-171.800111.9K30 K31 G37K30-E34 WeakPolarHBondContact O-CG 3.36Å; K30-E34 PolarHBondContact O-N 3.39Å; K31-E34 PolarHBondContact O-N 3.37Å; E34-G37 PolarHBondContact O-N 3.25Å
35F83.1Confident80.6Confident100 Ų10061.1 Ų61.144%0.43935%0.354SS..Hα-helixtrans-71.7-31.8179.9-75.7-61.9000113.5Y18 V20 K31 G32 C33 G37Y18-F35 HydrophobicContact CD1-CB 4.31Å; Y18-F35 HydrophobicContact CD1-CD1 4.32Å; Y18-F35 HydrophobicContact CD2-CB 4.08Å; Y18-F35 HydrophobicContact CG-CB 3.98Å; Y18-F35 HydrophobicContact CG-CG 4.44Å; V20-F35 HydrophobicContact CG1-CE2 4.24Å; V20-F35 HydrophobicContact CG2-CD2 3.89Å; V20-F35 HydrophobicContact CG2-CE2 4.15Å; K31-F35 HydrophobicContact CB-CD2 4.38Å; K31-F35 HydrophobicContact CB-CE2 4.33Å; K31-F35 WeakPolarHBondContact O-CD2 3.47Å; K31-F35 PolarHBondContact O-N 3.17Å; G32-F35 PolarHBondContact O-N 3.39Å; C33-F35 PolarHBondContact O-N 3.1Å; F35-G37 VanDerWaalsContact C-N 3.32Å
36L79Confident80.8Confident33 Ų3361 Ų6117%0.17335%0.353CS..Hα-helixtrans-84.8-6178.5-65.8180000113.3V9 N11 Y18 G32 C33 V38 L72V9-L36 HydrophobicContact CG1-CD1 3.8Å; V9-L36 HydrophobicContact CG1-CG 4.28Å; N11-L36 HydrophobicContact CB-CD1 4.44Å; N11-L36 HydrophobicContact CB-CD2 4.04Å; Y18-L36 HydrophobicContact CD2-CD2 3.82Å; Y18-L36 HydrophobicContact CE2-CD2 3.79Å; G32-L36 VanDerWaalsContact O-CB 3.26Å; G32-L36 WeakPolarHBondContact O-CB 3.26Å; G32-L36 WeakPolarHBondContact O-CG 3.47Å; G32-L36 PolarHBondContact O-N 2.76Å; C33-L36 PolarHBondContact O-N 3.44Å; L36-V38 VanDerWaalsContact C-N 3.26Å; L36-V38 HydrophobicContact CB-CG2 4.02Å; L36-V38 PolarHBondContact O-N 3.37Å; L36-L72 HydrophobicContact CD1-CB 3.88Å; L36-L72 HydrophobicContact CD1-CD2 4.24Å
37G73.8Confident80.9Confident71 Ų7156.5 Ų56.573%0.73233%0.329SS*.THydrogen-bonded Turntrans69.723.1-178.100000113.5C33 E34 F35C33-G37 PolarHBondContact O-N 3.48Å; E34-G37 PolarHBondContact O-N 3.25Å; F35-G37 VanDerWaalsContact C-N 3.32Å
38V72.2Confident81Confident39 Ų3955 Ų5524%0.23632%0.322CS..  trans-83.6135.6176.5-179.50000108.4C33 L36 V44C33-V38 HydrophobicContact CB-CB 4.18Å; C33-V38 PolarHBondContact O-N 3.11Å; L36-V38 VanDerWaalsContact C-N 3.26Å; L36-V38 HydrophobicContact CB-CG2 4.02Å; L36-V38 PolarHBondContact O-N 3.37Å; V38-V44 HydrophobicContact CG1-CG2 4.07Å
39S70.7Confident80.9Confident61 Ų6156.6 Ų56.643%0.42733%0.329SS..  trans-58.8126.8178.148.80000110.4S41 A42S39-S41 PolarHBondContact O-N 3.49Å; S39-A42 PolarHBondContact O-N 3.39Å
40P62.7Low80.7Confident126 Ų12656.8 Ų56.882%0.81835%0.348SS*.THydrogen-bonded Turntrans-65.6-8.2-175.624.4-33.2000114.1
41S63.8Low80.5Confident110 Ų11054.8 Ų54.877%0.76934%0.344SS*.THydrogen-bonded Turntrans-91.1-6176.561.20000114.3S39S39-S41 PolarHBondContact O-N 3.49Å
42A69.3Low80.4Confident19 Ų1951.9 Ų51.916%0.15734%0.335CS..SBendtrans-88.4143-179.300000111.4S39 V44 H74S39-A42 PolarHBondContact O-N 3.39Å; A42-V44 PolarHBondContact O-N 2.88Å; A42-H74 WeakPolarHBondContact CB-CD2 3.34Å; A42-H74 WeakPolarHBondContact CB-NE2 3.21Å
43P77.3Confident80.6Confident82 Ų8254.2 Ų54.253%0.53235%0.349SS..  trans-69.4130.3173.532.5-36.1000109.5D75P43-D75 WeakPolarHBondContact CG-OD1 3.43Å
44V83.4Confident80.8Confident20 Ų2058.5 Ų58.512%0.12137%0.371CS..EExtended strand (participates in β ladder)trans-126.7128.1-178.1179.60000109.9V38 A42 L72 L73V38-V44 HydrophobicContact CG1-CG2 4.07Å; A42-V44 PolarHBondContact O-N 2.88Å; V44-L72 HydrophobicContact CG1-CB 3.58Å; V44-L72 HydrophobicContact CG1-CD2 3.93Å; V44-L72 HydrophobicContact CG1-CG 3.59Å; V44-L73 WeakPolarHBondContact CA-O 3.44Å
45T87.7Confident81.1Confident58 Ų5851.8 Ų51.836%0.35634%0.339SS..EExtended strand (participates in β ladder)trans-91.7128.6174.3-53.40000109V47 I54 L73T45-V47 HydrophobicContact CG2-CG1 4.02Å; T45-I54 HydrophobicContact CG2-CG1 4.4Å; T45-I54 HydrophobicContact CG2-CG2 3.86Å; T45-L73 PolarHBondContact N-O 3.49Å; T45-L73 PolarHBondContact O-N 2.83Å
46V90.4Very high81.3Confident2 Ų254 Ų541%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-97.5125.5175.8178.80000107.9L25 L28 K29 V55 F70 L72L25-V46 HydrophobicContact CD1-CB 4.46Å; L25-V46 HydrophobicContact CD1-CG1 4.21Å; L25-V46 HydrophobicContact CD1-CG2 4.48Å; L28-V46 HydrophobicContact CD2-CG1 3.98Å; K29-V46 HydrophobicContact CD-CG2 4.22Å; K29-V46 HydrophobicContact CG-CG2 3.55Å; V46-V55 HydrophobicContact CG1-CB 4.36Å; V46-V55 PolarHBondContact O-N 2.96Å; V46-F70 HydrophobicContact CG1-CB 4.16Å; V46-F70 HydrophobicContact CG1-CD1 3.84Å; V46-F70 HydrophobicContact CG1-CG 4.31Å; V46-L72 HydrophobicContact CG2-CD1 4.17Å; V46-L72 HydrophobicContact CG2-CG 4.31Å
47V91.4Very high81.8Confident3 Ų356.9 Ų56.92%0.01837%0.367CS..EExtended strand (participates in β ladder)trans-127.5157.8176.8-53.40000110.7T45 T53 I54 F70 M71 L73 W79T45-V47 HydrophobicContact CG2-CG1 4.02Å; V47-T53 CarbonylContact C-O 3.47Å; V47-T53 VanDerWaalsContact CA-O 3.23Å; V47-T53 WeakPolarHBondContact CA-O 3.36Å; V47-I54 HydrophobicContact CG1-CB 4.46Å; V47-I54 HydrophobicContact CG1-CG1 3.89Å; V47-F70 CarbonylContact O-C 3.53Å; V47-F70 VanDerWaalsContact O-CA 3.31Å; V47-F70 WeakPolarHBondContact O-CA 3.41Å; V47-M71 HydrophobicContact CG2-CB 3.72Å; V47-M71 HydrophobicContact CG2-CG 4.24Å; V47-M71 HydrophobicContact CG2-SD 4.48Å; V47-M71 PolarHBondContact N-O 3.46Å; V47-M71 PolarHBondContact O-N 3.49Å; V47-L73 HydrophobicContact CG1-CD1 3.8Å; V47-L73 HydrophobicContact CG2-CD1 3.89Å; V47-L73 HydrophobicContact CG2-CG 4.25Å; V47-W79 HydrophobicContact CG2-CB 4.18Å; V47-W79 HydrophobicContact CG2-CG 4.28Å
48L91Very high82.5Confident16 Ų1656.5 Ų56.58%0.08435%0.346CS..EExtended strand (participates in β ladder)trans-71.7134.9167.6-68.4-172.6000110.1G50 D51 G52 T53 V55 L64 T68 F70 W79L48-G50 VanDerWaalsContact C-N 3.29Å; L48-G50 PolarHBondContact O-N 2.87Å; L48-D51 WeakPolarHBondContact CB-OD1 3.43Å; L48-G52 WeakPolarHBondContact O-CA 3.37Å; L48-G52 PolarHBondContact O-N 2.93Å; L48-T53 HydrophobicContact CD1-CG2 4.45Å; L48-T53 PolarHBondContact N-O 3.22Å; L48-V55 HydrophobicContact CD2-CG2 4.01Å; L48-V55 HydrophobicContact CG-CG2 3.91Å; L48-L64 HydrophobicContact CD1-CD2 4.13Å; L48-L64 HydrophobicContact CD2-CD1 3.81Å; L48-L64 HydrophobicContact CD2-CD2 4.42Å; L48-T68 HydrophobicContact CD2-CG2 3.66Å; L48-F70 HydrophobicContact CD2-CD1 3.83Å; L48-F70 HydrophobicContact CD2-CE1 3.55Å; L48-F70 HydrophobicContact CD2-CZ 4.34Å; L48-W79 PolarHBondContact O-NE1 3.32Å
49E87.5Confident83.2Confident32 Ų3257.4 Ų57.415%0.1536%0.357CS..THydrogen-bonded Turntrans-70.6-27.6-177.1-172.9-96.9-170.100113.1R14 K69 M71 W79R14-E49 IonicContact CZ-OE1 4Å; R14-E49 IonicContact NE-OE1 2.66Å; R14-E49 VanDerWaalsContact NH1-CG 3.35Å; R14-E49 PolarHBondContact NH1-O 3.29Å; R14-E49 IonicContact NH1-OE1 3.61Å; R14-E49 PolarHBondContact NH1-OE1 3.44Å; R14-E49 IonicContact NH1-OE2 3.58Å; R14-E49 PolarHBondContact NH2-O 2.96Å; R14-E49 VanDerWaalsContact NH2-O 3.08Å; E49-K69 HydrophobicContact CB-CB 4Å; E49-K69 HydrophobicContact CB-CD 3.98Å; E49-K69 HydrophobicContact CB-CG 3.73Å; E49-K69 VanDerWaalsContact CB-O 3.3Å; E49-K69 WeakPolarHBondContact CB-O 3.21Å; E49-K69 VanDerWaalsContact CD-NZ 3.32Å; E49-K69 HydrophobicContact CG-CD 3.74Å; E49-K69 HydrophobicContact CG-CG 4Å; E49-K69 PolarHBondContact N-O 2.92Å; E49-K69 IonicContact OE1-NZ 3.18Å; E49-K69 PolarHBondContact OE1-NZ 3.43Å; E49-K69 IonicContact OE2-NZ 2.98Å; E49-M71 HydrophobicContact CG-CE 4.17Å; E49-W79 PolarHBondContact O-NE1 3.07Å
50G83.3Confident84.1Confident65 Ų6559 Ų5967%0.6735%0.354SS*.THydrogen-bonded Turntrans-74.8-39.4-175.200000114.6L48 W79L48-G50 VanDerWaalsContact C-N 3.29Å; L48-G50 PolarHBondContact O-N 2.87Å; G50-W79 WeakPolarHBondContact O-CZ2 3.44Å
51D82.4Confident85.3Confident85 Ų8553 Ų5346%0.45532%0.315SS..THydrogen-bonded Turntrans-134.6-6.5-169.763.7-8.2000113.8L48 T53 W79L48-D51 WeakPolarHBondContact CB-OD1 3.43Å; D51-T53 VanDerWaalsContact C-N 3.28Å; D51-T53 PolarHBondContact O-N 3.48Å; D51-T53 WeakPolarHBondContact OD1-CB 3.36Å; D51-T53 PolarHBondContact OD1-N 3.42Å; D51-T53 VanDerWaalsContact OD1-N 3.07Å; D51-T53 PolarHBondContact OD1-OG1 2.91Å; D51-T53 PolarHBondContact OD2-OG1 2.99Å; D51-W79 VanDerWaalsContact C-CH2 3.43Å
52G84.6Confident86.4Confident15 Ų1552.5 Ų52.516%0.15530%0.304CS..  trans78.69.4179.900000114.4L48 I54 W79L48-G52 WeakPolarHBondContact O-CA 3.37Å; L48-G52 PolarHBondContact O-N 2.93Å; G52-I54 PolarHBondContact O-N 3.47Å; G52-W79 VanDerWaalsContact CA-CE2 3.43Å
53T89.4Confident87.2Confident49 Ų4957 Ų5730%0.30133%0.332SS..  trans-58.9123.7177.3-65.40000110.1V47 L48 D51 Y60V47-T53 CarbonylContact C-O 3.47Å; V47-T53 VanDerWaalsContact CA-O 3.23Å; V47-T53 WeakPolarHBondContact CA-O 3.36Å; L48-T53 HydrophobicContact CD1-CG2 4.45Å; L48-T53 PolarHBondContact N-O 3.22Å; D51-T53 VanDerWaalsContact C-N 3.28Å; D51-T53 PolarHBondContact O-N 3.48Å; D51-T53 WeakPolarHBondContact OD1-CB 3.36Å; D51-T53 PolarHBondContact OD1-N 3.42Å; D51-T53 VanDerWaalsContact OD1-N 3.07Å; D51-T53 PolarHBondContact OD1-OG1 2.91Å; D51-T53 PolarHBondContact OD2-OG1 2.99Å; T53-Y60 HydrophobicContact CG2-CE1 4.39Å
54I90.3Very high87.7Confident101 Ų10154.3 Ų54.352%0.51831%0.314SS..BIsolated β-bridgetrans-74.2126.8179.5-60.3167.1000109.3T45 V47 G52 E56T45-I54 HydrophobicContact CG2-CG1 4.4Å; T45-I54 HydrophobicContact CG2-CG2 3.86Å; V47-I54 HydrophobicContact CG1-CB 4.46Å; V47-I54 HydrophobicContact CG1-CG1 3.89Å; G52-I54 PolarHBondContact O-N 3.47Å; I54-E56 HydrophobicContact CG2-CG 3.89Å
55V89.5Confident87.9Confident0 Ų057.7 Ų57.70%034%0.336CS..  trans-108.896.2-178.7-177.60000109.6L25 V46 L48 Y60 F61 F70L25-V55 HydrophobicContact CD1-CG1 4.07Å; L25-V55 HydrophobicContact CD2-CG1 4.35Å; V46-V55 HydrophobicContact CG1-CB 4.36Å; V46-V55 PolarHBondContact O-N 2.96Å; L48-V55 HydrophobicContact CD2-CG2 4.01Å; L48-V55 HydrophobicContact CG-CG2 3.91Å; V55-Y60 HydrophobicContact CG1-CD1 4.02Å; V55-Y60 HydrophobicContact CG2-CD1 4.05Å; V55-Y60 HydrophobicContact CG2-CE1 3.89Å; V55-F61 HydrophobicContact CG1-CB 4.16Å; V55-F70 HydrophobicContact CG2-CE1 4.25Å
56E87.5Confident87.9Confident148 Ų14861.9 Ų61.969%0.69235%0.35SS*.  trans-108.3-23.1176-75.4177.6175.200113.2I54I54-E56 HydrophobicContact CG2-CG 3.89Å
57D89.3Confident87.7Confident93 Ų9366.1 Ų66.150%0.49737%0.372SS..  trans-91.7131.6-178.3175.138.7000112.6A59 Y60 F61D57-A59 PolarHBondContact OD1-N 2.99Å; D57-A59 WeakPolarHBondContact OD2-CB 3.34Å; D57-A59 PolarHBondContact OD2-N 3.44Å; D57-Y60 PolarHBondContact O-N 3.32Å; D57-Y60 PolarHBondContact OD2-N 3.36Å; D57-F61 PolarHBondContact O-N 3.3Å
58Q88.4Confident87.6Confident63 Ų6367.1 Ų67.129%0.29438%0.378SS..Hα-helixtrans-67.4-34.5178-179.961.160.600111.9F61 L62Q58-F61 PolarHBondContact O-N 3.41Å; Q58-L62 WeakPolarHBondContact O-CG 3.38Å; Q58-L62 PolarHBondContact O-N 3.19Å
59A86.7Confident87.6Confident57 Ų5769.3 Ų69.347%0.47139%0.387SS..Hα-helixtrans-69.5-43.7177.600000110.7D57 F61 L62 C63D57-A59 PolarHBondContact OD1-N 2.99Å; D57-A59 WeakPolarHBondContact OD2-CB 3.34Å; D57-A59 PolarHBondContact OD2-N 3.44Å; A59-F61 VanDerWaalsContact C-N 3.33Å; A59-F61 PolarHBondContact O-N 2.88Å; A59-L62 PolarHBondContact O-N 3.18Å; A59-C63 PolarHBondContact O-N 3.42Å; A59-C63 PolarHBondContact O-SG 3.19Å; A59-C63 VanDerWaalsContact O-SG 3.36Å
60Y89.6Confident87.8Confident95 Ų9567.8 Ų67.837%0.37338%0.38SS..Hα-helixtrans-56.6-45.7171.4-171.6-92.8000112.2T53 V55 D57 L62 C63 L64T53-Y60 HydrophobicContact CG2-CE1 4.39Å; V55-Y60 HydrophobicContact CG1-CD1 4.02Å; V55-Y60 HydrophobicContact CG2-CD1 4.05Å; V55-Y60 HydrophobicContact CG2-CE1 3.89Å; D57-Y60 PolarHBondContact O-N 3.32Å; D57-Y60 PolarHBondContact OD2-N 3.36Å; Y60-L62 VanDerWaalsContact C-N 3.3Å; Y60-L62 PolarHBondContact O-N 2.99Å; Y60-C63 PolarHBondContact O-N 3.14Å; Y60-L64 HydrophobicContact CD1-CD1 4.17Å; Y60-L64 HydrophobicContact CD1-CG 4.43Å; Y60-L64 HydrophobicContact CE1-CD1 3.98Å; Y60-L64 HydrophobicContact CE1-CD2 4.03Å; Y60-L64 HydrophobicContact CE1-CG 4.16Å; Y60-L64 PolarHBondContact O-N 3.17Å
61F88.6Confident88.1Confident0 Ų064.8 Ų64.80%035%0.348CS..Hα-helixtrans-53.9-46.7176.2172.6-100.8000111.7R5 V22 L25 L28 V55 D57 Q58 A59 C63 L64 F70R5-F61 PolarHBondContact NH1-O 3.48Å; R5-F61 PolarHBondContact NH2-O 3.39Å; V22-F61 HydrophobicContact CG2-CZ 4.04Å; L25-F61 HydrophobicContact CB-CB 4.39Å; L25-F61 HydrophobicContact CB-CG 4.29Å; L25-F61 HydrophobicContact CD1-CD2 4.08Å; L25-F61 HydrophobicContact CD1-CG 4.4Å; L28-F61 HydrophobicContact CD2-CE2 3.95Å; V55-F61 HydrophobicContact CG1-CB 4.16Å; D57-F61 PolarHBondContact O-N 3.3Å; Q58-F61 PolarHBondContact O-N 3.41Å; A59-F61 VanDerWaalsContact C-N 3.33Å; A59-F61 PolarHBondContact O-N 2.88Å; F61-C63 VanDerWaalsContact C-N 3.34Å; F61-C63 PolarHBondContact O-N 2.83Å; F61-L64 PolarHBondContact O-N 3.36Å; F61-F70 HydrophobicContact CD2-CE1 4.07Å; F61-F70 HydrophobicContact CD2-CE2 4.34Å; F61-F70 AromaticContact CD2-CZ 3.66Å; F61-F70 HydrophobicContact CD2-CZ 3.66Å; F61-F70 HydrophobicContact CE2-CE1 4.31Å; F61-F70 AromaticContact CE2-CE2 3.8Å; F61-F70 HydrophobicContact CE2-CE2 3.8Å; F61-F70 AromaticContact CE2-CZ 3.58Å; F61-F70 HydrophobicContact CE2-CZ 3.58Å
62L86.4Confident88.4Confident100 Ų10061 Ų6152%0.52433%0.328SS..Hα-helixtrans-69.8-26.5-176.8-67.1172.8000114Q58 A59 Y60 L64Q58-L62 WeakPolarHBondContact O-CG 3.38Å; Q58-L62 PolarHBondContact O-N 3.19Å; A59-L62 PolarHBondContact O-N 3.18Å; Y60-L62 VanDerWaalsContact C-N 3.3Å; Y60-L62 PolarHBondContact O-N 2.99Å; L62-L64 VanDerWaalsContact C-N 3.31Å
63C87.1Confident88.5Confident112 Ų11260.8 Ų60.876%0.75732%0.324SS*.Hα-helixtrans-75.6-17.9177.6-69.20000113.7A59 Y60 F61A59-C63 PolarHBondContact O-N 3.42Å; A59-C63 PolarHBondContact O-SG 3.19Å; A59-C63 VanDerWaalsContact O-SG 3.36Å; Y60-C63 PolarHBondContact O-N 3.14Å; F61-C63 VanDerWaalsContact C-N 3.34Å; F61-C63 PolarHBondContact O-N 2.83Å
64L87.7Confident88.2Confident27 Ų2761.6 Ų61.614%0.14132%0.324CS..SBendtrans-69155.7-179.5-68.8165.9000111.4R5 L48 Y60 F61 L62 T68 F70R5-L64 VanDerWaalsContact CZ-O 3.26Å; R5-L64 PolarHBondContact NH2-O 3.26Å; L48-L64 HydrophobicContact CD1-CD2 4.13Å; L48-L64 HydrophobicContact CD2-CD1 3.81Å; L48-L64 HydrophobicContact CD2-CD2 4.42Å; Y60-L64 HydrophobicContact CD1-CD1 4.17Å; Y60-L64 HydrophobicContact CD1-CG 4.43Å; Y60-L64 HydrophobicContact CE1-CD1 3.98Å; Y60-L64 HydrophobicContact CE1-CD2 4.03Å; Y60-L64 HydrophobicContact CE1-CG 4.16Å; Y60-L64 PolarHBondContact O-N 3.17Å; F61-L64 PolarHBondContact O-N 3.36Å; L62-L64 VanDerWaalsContact C-N 3.31Å; L64-T68 HydrophobicContact CD1-CG2 4.42Å; L64-F70 HydrophobicContact CD1-CE1 3.73Å; L64-F70 HydrophobicContact CD1-CZ 3.74Å
65P88.1Confident86.8Confident91 Ų9162 Ų6259%0.59133%0.327SS*.PPolyproline II helixtrans-61.8156.9175.5-24.234.8000113.6R5 T68R5-P65 PolarHBondContact NH2-O 3.37Å; P65-T68 PolarHBondContact O-OG1 2.94Å
66F86.5Confident85.8Confident146 Ų14671.4 Ų71.464%0.6437%0.368SS*.THydrogen-bonded Turntrans-61150.8168.7-68.3-67000111.2R5 P6 T68R5-F66 HydrophobicContact CB-CE1 4.32Å; R5-F66 HydrophobicContact CG-CD1 3.75Å; R5-F66 HydrophobicContact CG-CE1 3.93Å; P6-F66 HydrophobicContact CG-CB 4.35Å; P6-F66 HydrophobicContact CG-CD1 4.09Å; F66-T68 PolarHBondContact O-N 3.06Å
67N86.2Confident85.4Confident91 Ų9168.1 Ų68.149%0.48735%0.352SS..THydrogen-bonded Turntrans62.518.6-177.4-60.9-56.7000115.7P6P6-N67 WeakPolarHBondContact O-CA 3.28Å; P6-N67 PolarHBondContact O-N 3.4Å
68T89.3Confident84.9Confident23 Ų2368.8 Ų68.814%0.14136%0.36CS..  trans-57138.5172.3-63.60000110.6K8 L48 L64 P65 F66 F70K8-T68 PolarHBondContact N-O 3.03Å; L48-T68 HydrophobicContact CD2-CG2 3.66Å; L64-T68 HydrophobicContact CD1-CG2 4.42Å; P65-T68 PolarHBondContact O-OG1 2.94Å; F66-T68 PolarHBondContact O-N 3.06Å; T68-F70 HydrophobicContact CG2-CD2 4.48Å; T68-F70 HydrophobicContact CG2-CE1 4.19Å; T68-F70 HydrophobicContact CG2-CE2 3.91Å; T68-F70 HydrophobicContact CG2-CZ 3.74Å; T68-F70 WeakPolarHBondContact O-CD2 3.43Å; T68-F70 WeakPolarHBondContact O-CE2 3.27Å
69K90.8Very high84.8Confident63 Ų6368.9 Ų68.927%0.27436%0.358SS..EExtended strand (participates in β ladder)trans-95.3117.8-178.7-168.4178.1174.6-163.70110K8 E49K8-K69 HydrophobicContact CB-CB 4.2Å; K8-K69 HydrophobicContact CB-CG 4.1Å; K8-K69 CarbonylContact O-C 3.56Å; K8-K69 WeakPolarHBondContact O-CA 3.46Å; E49-K69 HydrophobicContact CB-CB 4Å; E49-K69 HydrophobicContact CB-CD 3.98Å; E49-K69 HydrophobicContact CB-CG 3.73Å; E49-K69 VanDerWaalsContact CB-O 3.3Å; E49-K69 WeakPolarHBondContact CB-O 3.21Å; E49-K69 VanDerWaalsContact CD-NZ 3.32Å; E49-K69 HydrophobicContact CG-CD 3.74Å; E49-K69 HydrophobicContact CG-CG 4Å; E49-K69 PolarHBondContact N-O 2.92Å; E49-K69 IonicContact OE1-NZ 3.18Å; E49-K69 PolarHBondContact OE1-NZ 3.43Å; E49-K69 IonicContact OE2-NZ 2.98Å
70F91.6Very high84.3Confident0 Ų067.6 Ų67.60%035%0.347CS..EExtended strand (participates in β ladder)trans-104.9150.9177-59.7-85.3000110.1C7 K8 V9 C10 L28 V46 V47 L48 V55 F61 L64 T68C7-F70 HydrophobicContact CB-CD2 4.1Å; C7-F70 HydrophobicContact CB-CE2 4Å; K8-F70 PolarHBondContact O-N 3.28Å; V9-F70 CarbonylContact C-O 3.52Å; V9-F70 WeakPolarHBondContact CA-O 3.38Å; C10-F70 PolarHBondContact N-O 3Å; C10-F70 PolarHBondContact SG-O 3.18Å; C10-F70 VanDerWaalsContact SG-O 3.34Å; L28-F70 HydrophobicContact CD1-CD2 4.41Å; L28-F70 HydrophobicContact CD2-CB 4.14Å; L28-F70 HydrophobicContact CD2-CD1 4.17Å; L28-F70 HydrophobicContact CD2-CD2 3.87Å; L28-F70 HydrophobicContact CD2-CE2 4.31Å; L28-F70 HydrophobicContact CD2-CG 3.79Å; V46-F70 HydrophobicContact CG1-CB 4.16Å; V46-F70 HydrophobicContact CG1-CD1 3.84Å; V46-F70 HydrophobicContact CG1-CG 4.31Å; V47-F70 CarbonylContact O-C 3.53Å; V47-F70 VanDerWaalsContact O-CA 3.31Å; V47-F70 WeakPolarHBondContact O-CA 3.41Å; L48-F70 HydrophobicContact CD2-CD1 3.83Å; L48-F70 HydrophobicContact CD2-CE1 3.55Å; L48-F70 HydrophobicContact CD2-CZ 4.34Å; V55-F70 HydrophobicContact CG2-CE1 4.25Å; F61-F70 HydrophobicContact CD2-CE1 4.07Å; F61-F70 HydrophobicContact CD2-CE2 4.34Å; F61-F70 AromaticContact CD2-CZ 3.66Å; F61-F70 HydrophobicContact CD2-CZ 3.66Å; F61-F70 HydrophobicContact CE2-CE1 4.31Å; F61-F70 AromaticContact CE2-CE2 3.8Å; F61-F70 HydrophobicContact CE2-CE2 3.8Å; F61-F70 AromaticContact CE2-CZ 3.58Å; F61-F70 HydrophobicContact CE2-CZ 3.58Å; L64-F70 HydrophobicContact CD1-CE1 3.73Å; L64-F70 HydrophobicContact CD1-CZ 3.74Å; T68-F70 HydrophobicContact CG2-CD2 4.48Å; T68-F70 HydrophobicContact CG2-CE1 4.19Å; T68-F70 HydrophobicContact CG2-CE2 3.91Å; T68-F70 HydrophobicContact CG2-CZ 3.74Å; T68-F70 WeakPolarHBondContact O-CD2 3.43Å; T68-F70 WeakPolarHBondContact O-CE2 3.27Å
71M90.6Very high83.7Confident1 Ų167.4 Ų67.41%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-119.4133172.2177.8179.2-68.800108.5C10 R14 V47 E49 L73C10-M71 WeakPolarHBondContact O-CA 3.32Å; R14-M71 HydrophobicContact CG-CE 3.43Å; R14-M71 VanDerWaalsContact CG-CE 3.43Å; V47-M71 HydrophobicContact CG2-CB 3.72Å; V47-M71 HydrophobicContact CG2-CG 4.24Å; V47-M71 HydrophobicContact CG2-SD 4.48Å; V47-M71 PolarHBondContact N-O 3.46Å; V47-M71 PolarHBondContact O-N 3.49Å; E49-M71 HydrophobicContact CG-CE 4.17Å; M71-L73 HydrophobicContact CG-CD2 3.91Å; M71-L73 HydrophobicContact CG-CG 4.32Å; M71-L73 HydrophobicContact SD-CD2 3.72Å
72L89Confident82.6Confident7 Ų769.9 Ų69.94%0.03738%0.378CS..EExtended strand (participates in β ladder)trans-99.9123.8174.3-88.163.3000108.1V9 C10 L36 V44 V46V9-L72 HydrophobicContact CG1-CD1 3.7Å; V9-L72 HydrophobicContact CG1-CD2 4.47Å; C10-L72 PolarHBondContact O-N 2.93Å; C10-L72 VanDerWaalsContact O-N 3.16Å; L36-L72 HydrophobicContact CD1-CB 3.88Å; L36-L72 HydrophobicContact CD1-CD2 4.24Å; V44-L72 HydrophobicContact CG1-CB 3.58Å; V44-L72 HydrophobicContact CG1-CD2 3.93Å; V44-L72 HydrophobicContact CG1-CG 3.59Å; V46-L72 HydrophobicContact CG2-CD1 4.17Å; V46-L72 HydrophobicContact CG2-CG 4.31Å
73L85.8Confident81.1Confident10 Ų1075.2 Ų75.25%0.05239%0.391CS..EExtended strand (participates in β ladder)trans-112.9135.5-179-60.4173.8000110.1F12 V44 T45 V47 M71 E77 W79F12-L73 HydrophobicContact CB-CD2 4.06Å; F12-L73 HydrophobicContact CD2-CD2 3.81Å; F12-L73 HydrophobicContact CG-CD2 4.38Å; V44-L73 WeakPolarHBondContact CA-O 3.44Å; T45-L73 PolarHBondContact N-O 3.49Å; T45-L73 PolarHBondContact O-N 2.83Å; V47-L73 HydrophobicContact CG1-CD1 3.8Å; V47-L73 HydrophobicContact CG2-CD1 3.89Å; V47-L73 HydrophobicContact CG2-CG 4.25Å; M71-L73 HydrophobicContact CG-CD2 3.91Å; M71-L73 HydrophobicContact CG-CG 4.32Å; M71-L73 HydrophobicContact SD-CD2 3.72Å; L73-E77 WeakPolarHBondContact CA-OE2 3.23Å; L73-E77 HydrophobicContact CB-CB 4.11Å; L73-E77 HydrophobicContact CD2-CB 3.81Å; L73-W79 HydrophobicContact CD1-CB 4.11Å
74H82.7Confident79.2Confident66 Ų6679.1 Ų79.131%0.30640%0.395SS..EExtended strand (participates in β ladder)trans-112.1133.7-179.6176.3-75.8000112.1A42 K76 E77A42-H74 WeakPolarHBondContact CB-CD2 3.34Å; A42-H74 WeakPolarHBondContact CB-NE2 3.21Å; H74-K76 PolarHBondContact O-N 3.46Å; H74-E77 PolarHBondContact N-OE2 3.23Å; H74-E77 PolarHBondContact O-N 2.83Å
75D62.4Low77Confident108 Ų10884.4 Ų84.458%0.57842%0.422SS*.THydrogen-bonded Turntrans28.7-21.3173.2-81.3-33000122.5P43P43-D75 WeakPolarHBondContact CG-OD1 3.43Å
76K66.6Low74.7Confident199 Ų19987.2 Ų87.287%0.86543%0.432SS*.THydrogen-bonded Turntrans-150.52.2178-63.5-171.9179.8177.80113.7H74H74-K76 PolarHBondContact O-N 3.46Å
77E79.3Confident72.7Confident79 Ų7984.1 Ų84.137%0.36944%0.441SS..  trans-83.8127.3177.1-63.2175.9149.800110.1F12 L73 H74F12-E77 HydrophobicContact CB-CB 4.31Å; F12-E77 VanDerWaalsContact CB-CD 3.45Å; F12-E77 HydrophobicContact CB-CG 4.18Å; F12-E77 WeakPolarHBondContact CB-OE1 3.04Å; F12-E77 HydrophobicContact CD1-CG 4.32Å; F12-E77 HydrophobicContact CD2-CB 4.11Å; F12-E77 HydrophobicContact CG-CB 4.11Å; F12-E77 HydrophobicContact CG-CG 4.08Å; L73-E77 WeakPolarHBondContact CA-OE2 3.23Å; L73-E77 HydrophobicContact CB-CB 4.11Å; L73-E77 HydrophobicContact CD2-CB 3.81Å; H74-E77 PolarHBondContact N-OE2 3.23Å; H74-E77 PolarHBondContact O-N 2.83Å
78T79.2Confident70.6Confident107 Ų10782.6 Ų82.666%0.65645%0.447SS*.  trans-108.2135.1174.252.50000109.1F12 A80F12-T78 WeakPolarHBondContact CE2-O 3.42Å; T78-A80 PolarHBondContact O-N 2.87Å
79W86.1Confident68.4Low65 Ų6586 Ų8625%0.24647%0.468CS..  trans-54.2134.8174179.593000110.6V47 L48 E49 G50 D51 G52 L73 P81V47-W79 HydrophobicContact CG2-CB 4.18Å; V47-W79 HydrophobicContact CG2-CG 4.28Å; L48-W79 PolarHBondContact O-NE1 3.32Å; E49-W79 PolarHBondContact O-NE1 3.07Å; G50-W79 WeakPolarHBondContact O-CZ2 3.44Å; D51-W79 VanDerWaalsContact C-CH2 3.43Å; G52-W79 VanDerWaalsContact CA-CE2 3.43Å; L73-W79 HydrophobicContact CD1-CB 4.11Å; W79-P81 HydrophobicContact CH2-CB 4.34Å; W79-P81 HydrophobicContact CH2-CG 3.88Å; W79-P81 HydrophobicContact CZ3-CG 3.97Å
80A77.4Confident66.1Low30 Ų3087.6 Ų87.625%0.24849%0.492CS..  trans-132.3145.5172.200000108.7R14 T78R14-A80 PolarHBondContact NH2-O 3.4Å; T78-A80 PolarHBondContact O-N 2.87Å
81P76.4Confident63.9Low90 Ų9098.9 Ų98.958%0.58454%0.535SS*.  trans-53.7145.7175.6-23.331.6000111.6W79 R83W79-P81 HydrophobicContact CH2-CB 4.34Å; W79-P81 HydrophobicContact CH2-CG 3.88Å; W79-P81 HydrophobicContact CZ3-CG 3.97Å; P81-R83 PolarHBondContact O-N 2.96Å
82A64.6Low61.5Low52 Ų52107 Ų10743%0.4358%0.576SS.*  trans-61.7106.1175.200000109.8K84A82-K84 PolarHBondContact O-N 2.98Å
83R56.7Low59.4Low212 Ų212111.1 Ų111.180%0.861%0.61SS**  trans-68102.2163.2-54.8-173.6-134.3-100.31.9106.1P81 I85P81-R83 PolarHBondContact O-N 2.96Å; R83-I85 VanDerWaalsContact C-N 3.26Å; R83-I85 PolarHBondContact O-N 3.44Å
84K45.8Very low57.2Low195 Ų195121 Ų12185%0.84865%0.647SS**  trans-63.597.6166.6-67.3-174.2-174.8-179.40105.9A82 D86A82-K84 PolarHBondContact O-N 2.98Å; K84-D86 PolarHBondContact O-N 3.45Å
85I42.6Very low55.1Low138 Ų138126 Ų12671%0.70867%0.67SS**  trans-74.380.7167.6-62.5154.5000104.4R83R83-I85 VanDerWaalsContact C-N 3.26Å; R83-I85 PolarHBondContact O-N 3.44Å
86D38.3Very low53.8Low150 Ų150125.4 Ų125.480%0.80268%0.675SS**  trans-74.1136.2155.5-162.34.8000106.9K84 G88K84-D86 PolarHBondContact O-N 3.45Å; D86-G88 PolarHBondContact O-N 3.29Å
87G46.2Very low52.5Low80 Ų80121.9 Ų121.983%0.82567%0.669SS**SBendtrans-65.476.9-158.400000115.9
88G40.8Very low50.4Low59 Ų59124 Ų12461%0.60869%0.687SS**  trans-139.6-3.8174.600000116.7D86D86-G88 PolarHBondContact O-N 3.29Å
89T42.9Very low48.4Very low96 Ų96126.3 Ų126.359%0.58970%0.695SS**  trans-108.837.4-168.649.40000115.4W91T89-W91 PolarHBondContact O-N 2.98Å
90A43.5Very low46.4Very low95 Ų95132.8 Ų132.879%0.78573%0.728SS**THydrogen-bonded Turntrans-67.8-3.9167.500000113.9
91W46Very low44.3Very low237 Ų237135.6 Ų135.690%0.89875%0.751SS**THydrogen-bonded Turntrans-99.9-1.3-169.6-76.674.4000115.9T89T89-W91 PolarHBondContact O-N 2.98Å
92M40.1Very low42.8Very low173 Ų173138.8 Ų138.885%0.85276%0.763SS**SBendtrans-108.411.6-176.4-64.6-66.5-95.100114.6
93A45Very low41.4Very low92 Ų92140.6 Ų140.676%0.7678%0.778SS**SBendtrans-108.259.217700000112.3
94R39.8Very low40.6Very low219 Ų219136.1 Ų136.183%0.82677%0.774SS**SBendtrans-168120.4151.8-114.9174165.9-171.1-6.1111
95E37Very low40.3Very low169 Ų169134.1 Ų134.179%0.7977%0.773SS**  trans38.8127.3152.6-70.8174.7135.400117.3
96S36.2Very low39.9Very low97 Ų97132.9 Ų132.968%0.67878%0.777SS**  cis174144.432.5-117.20000107.8
97V38Very low39.8Very low124 Ų124131.1 Ų131.175%0.75278%0.775SS**  trans40.6134.1147.6-141.40000121.2
98V37.1Very low39.6Very low123 Ų123135.5 Ų135.575%0.74578%0.778SS**  trans72.3122.3161.3-1390000113.7
99L35.7Very low39.6Very low157 Ų157135.7 Ų135.782%0.82277%0.773SS**  cis-154.9154.743.4-79.4157.5000109.2A101L99-A101 PolarHBondContact O-N 3.39Å
100E43.7Very low39.7Very low200 Ų200139.1 Ų139.194%0.93578%0.783SS**  trans-54.7125.6164.4-69.7-161.1157.200111
101A35.2Very low40.3Very low90 Ų90137 Ų13774%0.74477%0.766SS**  trans-129.8114.1156.800000106.6L99 A103L99-A101 PolarHBondContact O-N 3.39Å; A101-A103 PolarHBondContact O-N 3.33Å; A101-A103 VanDerWaalsContact O-N 3.15Å
102D42.9Very low41.5Very low156 Ų156128.9 Ų128.983%0.83474%0.743SS**  trans-55108.2170.7-17212.4000109.2
103A37.1Very low43.8Very low90 Ų90121.6 Ų121.674%0.74471%0.706SS**  trans-111.393.1176.600000107.8A101A101-A103 PolarHBondContact O-N 3.33Å; A101-A103 VanDerWaalsContact O-N 3.15Å
104V39.3Very low45.8Very low118 Ų118123.3 Ų123.372%0.71569%0.693SS**  trans-46.1135.1168-159.50000109.7S106V104-S106 PolarHBondContact O-N 3.19Å
105D39.6Very low48.2Very low153 Ų153118 Ų11882%0.81868%0.681SS**  trans-43.494.8179-76.8-42000112.6C107D105-C107 VanDerWaalsContact C-N 3.31Å; D105-C107 PolarHBondContact O-N 2.96Å
106S34.7Very low50.8Low113 Ų113111 Ų11179%0.7965%0.649SS**  trans-84.587.3160.1-67.50000106.7V104 I108V104-S106 PolarHBondContact O-N 3.19Å; S106-I108 PolarHBondContact O-N 3.48Å; S106-I108 VanDerWaalsContact O-N 3.07Å
107C34.7Very low53.4Low112 Ų112106.4 Ų106.476%0.75762%0.617SS**  trans-45.5115.9169.6-54.30000108.8D105 A109D105-C107 VanDerWaalsContact C-N 3.31Å; D105-C107 PolarHBondContact O-N 2.96Å; C107-A109 PolarHBondContact O-N 2.75Å
108I41.7Very low55.9Low173 Ų173104.2 Ų104.289%0.88760%0.6SS**  trans-69.579.4171.2-57.1171000106.9S106S106-I108 PolarHBondContact O-N 3.48Å; S106-I108 VanDerWaalsContact O-N 3.07Å
109A41.3Very low58.4Low63 Ų63102.5 Ų102.552%0.52158%0.584SS.*  trans-74.1127.7151.300000105.6C107 A111 P112C107-A109 PolarHBondContact O-N 2.75Å; A109-A111 PolarHBondContact O-N 3.28Å; A109-A111 VanDerWaalsContact O-N 3.09Å; A109-P112 HydrophobicContact CB-CG 4.32Å
110E45.2Very low61Low167 Ų16795.1 Ų95.178%0.7855%0.546SS*.SBendtrans-41.5122.7167.5-62.4178.8163.600108.5P112E110-P112 WeakPolarHBondContact O-CD 3.34Å
111A55.8Low63.2Low52 Ų5290.9 Ų90.943%0.4352%0.524SS..  trans-48.6107.1-157.200000111.3A109 W113 W114A109-A111 PolarHBondContact O-N 3.28Å; A109-A111 VanDerWaalsContact O-N 3.09Å; A111-W113 VanDerWaalsContact CB-CD1 3.46Å; A111-W113 HydrophobicContact CB-CG 4.45Å; A111-W113 VanDerWaalsContact CB-NE1 3.31Å; A111-W113 PolarHBondContact O-N 3.3Å; A111-W114 PolarHBondContact O-N 3.37Å; A111-W114 VanDerWaalsContact O-N 3.07Å
112P71.6Confident65.8Low66 Ų6693.9 Ų93.943%0.42952%0.523SS..THydrogen-bonded Turntrans-55.9-27.3-166.2-28.133.1000113.6A109 E110 W114 N115A109-P112 HydrophobicContact CB-CG 4.32Å; E110-P112 WeakPolarHBondContact O-CD 3.34Å; P112-W114 VanDerWaalsContact C-N 3.27Å; P112-W114 PolarHBondContact O-N 3.22Å; P112-N115 PolarHBondContact O-N 2.7Å
113W89Confident67.9Low20 Ų2090 Ų908%0.07650%0.502CS..Hα-helixtrans-60.9-27.7-179.374.8-103.8000113.9A111 N115 L116 A117 S137 L138 A141 E145 L146 A149A111-W113 VanDerWaalsContact CB-CD1 3.46Å; A111-W113 HydrophobicContact CB-CG 4.45Å; A111-W113 VanDerWaalsContact CB-NE1 3.31Å; A111-W113 PolarHBondContact O-N 3.3Å; W113-N115 PolarHBondContact O-N 2.64Å; W113-L116 WeakPolarHBondContact O-CB 3.29Å; W113-L116 PolarHBondContact O-N 3.37Å; W113-A117 HydrophobicContact CE3-CB 4.16Å; W113-A117 HydrophobicContact CZ3-CB 4.29Å; W113-A117 WeakPolarHBondContact O-CB 3.48Å; W113-A117 PolarHBondContact O-N 3.46Å; W113-S137 VanDerWaalsContact CB-O 3.28Å; W113-S137 WeakPolarHBondContact CB-O 3.35Å; W113-L138 HydrophobicContact CB-CD2 4.3Å; W113-A141 HydrophobicContact CB-CB 4.22Å; W113-A141 HydrophobicContact CD2-CB 3.4Å; W113-A141 HydrophobicContact CE3-CB 3.69Å; W113-A141 HydrophobicContact CG-CB 3.65Å; W113-A141 HydrophobicContact CH2-CB 4.48Å; W113-A141 HydrophobicContact CZ2-CB 4.24Å; W113-A141 HydrophobicContact CZ3-CB 4.24Å; W113-E145 HydrophobicContact CH2-CB 3.66Å; W113-E145 HydrophobicContact CZ2-CB 4.08Å; W113-L146 HydrophobicContact CE3-CD1 3.97Å; W113-L146 HydrophobicContact CZ3-CB 4.14Å; W113-L146 HydrophobicContact CZ3-CD1 3.94Å; W113-A149 HydrophobicContact CZ3-CB 4.28Å
114W86.9Confident70.3Confident127 Ų12790.6 Ų90.648%0.48149%0.492SS..Hα-helixtrans-65-44-177.9-177.1-93.6000112.1A111 P112 L116 A117 L118 A149A111-W114 PolarHBondContact O-N 3.37Å; A111-W114 VanDerWaalsContact O-N 3.07Å; P112-W114 VanDerWaalsContact C-N 3.27Å; P112-W114 PolarHBondContact O-N 3.22Å; W114-L116 VanDerWaalsContact C-N 3.31Å; W114-L116 PolarHBondContact O-N 3.28Å; W114-A117 PolarHBondContact O-N 3.36Å; W114-L118 PolarHBondContact O-N 3.49Å; W114-A149 HydrophobicContact CD2-CB 4.47Å; W114-A149 HydrophobicContact CE3-CB 3.87Å; W114-A149 HydrophobicContact CH2-CB 3.74Å; W114-A149 HydrophobicContact CZ2-CB 4.35Å; W114-A149 HydrophobicContact CZ3-CB 3.48Å; W114-A149 VanDerWaalsContact CZ3-CB 3.48Å
115N89.3Confident72.6Confident109 Ų10985.6 Ų85.658%0.58346%0.462SS*.Hα-helixtrans-65.3-39.2176.5-68.8-55.4000111P112 W113 L118 Q119P112-N115 PolarHBondContact O-N 2.7Å; W113-N115 PolarHBondContact O-N 2.64Å; N115-L118 PolarHBondContact O-N 2.99Å; N115-Q119 PolarHBondContact O-N 3.12Å
116L91.3Very high74.8Confident21 Ų2178.6 Ų78.611%0.1143%0.425CS..Hα-helixtrans-64.3-40.7175.8-62.7170.3000111.6W113 W114 Q119 L120 M130 D134 S137 L138W113-L116 WeakPolarHBondContact O-CB 3.29Å; W113-L116 PolarHBondContact O-N 3.37Å; W114-L116 VanDerWaalsContact C-N 3.31Å; W114-L116 PolarHBondContact O-N 3.28Å; L116-Q119 WeakPolarHBondContact O-CB 3.08Å; L116-Q119 PolarHBondContact O-N 3.43Å; L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 2.96Å; L116-M130 HydrophobicContact CB-CE 4.1Å; L116-M130 HydrophobicContact CD2-CE 3.88Å; L116-M130 HydrophobicContact CD2-CG 4.35Å; L116-M130 HydrophobicContact CD2-SD 4.15Å; L116-D134 HydrophobicContact CD1-CB 3.55Å; L116-D134 HydrophobicContact CD2-CB 4.06Å; L116-D134 HydrophobicContact CG-CB 4.47Å; L116-S137 VanDerWaalsContact CD1-OG 3.25Å; L116-S137 WeakPolarHBondContact CD1-OG 3.33Å; L116-L138 HydrophobicContact CB-CD1 4.15Å; L116-L138 HydrophobicContact CB-CD2 3.84Å; L116-L138 HydrophobicContact CB-CG 4.06Å; L116-L138 HydrophobicContact CD1-CG 4.43Å
117A91.6Very high77.4Confident0 Ų075.5 Ų75.50%040%0.399CS..Hα-helixtrans-64.4-40.7175.200000111.5W113 W114 Q119 L120 K121 L138 L146 A149 L150W113-A117 HydrophobicContact CE3-CB 4.16Å; W113-A117 HydrophobicContact CZ3-CB 4.29Å; W113-A117 WeakPolarHBondContact O-CB 3.48Å; W113-A117 PolarHBondContact O-N 3.46Å; W114-A117 PolarHBondContact O-N 3.36Å; A117-Q119 VanDerWaalsContact C-N 3.33Å; A117-Q119 PolarHBondContact O-N 3.29Å; A117-L120 PolarHBondContact O-N 2.9Å; A117-K121 WeakPolarHBondContact O-CB 3.37Å; A117-K121 PolarHBondContact O-N 3.11Å; A117-L138 HydrophobicContact CB-CD2 4.2Å; A117-L146 HydrophobicContact CB-CD1 3.68Å; A117-A149 HydrophobicContact CB-CB 3.93Å; A117-L150 HydrophobicContact CB-CD2 4.31Å; A117-L150 HydrophobicContact CB-CG 4.45Å; A117-L150 VanDerWaalsContact O-CD2 3.24Å; A117-L150 WeakPolarHBondContact O-CD2 3.42Å
118L89.8Confident80Confident78 Ų7871.3 Ų71.341%0.40837%0.369SS..Hα-helixtrans-64.9-38.3175.3-172.763.3000112W114 N115 K121 Q122W114-L118 PolarHBondContact O-N 3.49Å; N115-L118 PolarHBondContact O-N 2.99Å; L118-K121 HydrophobicContact CD1-CD 4.5Å; L118-K121 WeakPolarHBondContact O-CB 3.25Å; L118-K121 PolarHBondContact O-N 2.66Å; L118-Q122 WeakPolarHBondContact O-CG 3.22Å; L118-Q122 PolarHBondContact O-N 2.81Å
119Q90.1Very high82.1Confident87 Ų8766.1 Ų66.141%0.40734%0.343SS..Hα-helixtrans-63.6-45.5174.7-169.8176.6-67.800111.4N115 L116 A117 K121 Q122 D123 M130N115-Q119 PolarHBondContact O-N 3.12Å; L116-Q119 WeakPolarHBondContact O-CB 3.08Å; L116-Q119 PolarHBondContact O-N 3.43Å; A117-Q119 VanDerWaalsContact C-N 3.33Å; A117-Q119 PolarHBondContact O-N 3.29Å; Q119-K121 VanDerWaalsContact C-N 3.3Å; Q119-K121 PolarHBondContact O-N 2.92Å; Q119-Q122 PolarHBondContact O-N 3.25Å; Q119-Q122 VanDerWaalsContact O-N 3.16Å; Q119-D123 PolarHBondContact O-N 3.18Å; Q119-M130 HydrophobicContact CB-CE 4.35Å; Q119-M130 HydrophobicContact CG-CE 4.48Å
120L91.1Very high84.2Confident3 Ų363.6 Ų63.62%0.01632%0.32CS..Hα-helixtrans-62.2-36.5176-77.8169.3000113L116 A117 Q122 D123 L124 I127 M130 L138 L150L116-L120 WeakPolarHBondContact O-CG 3.45Å; L116-L120 PolarHBondContact O-N 2.96Å; A117-L120 PolarHBondContact O-N 2.9Å; L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 PolarHBondContact O-N 3.44Å; L120-D123 CarbonylContact O-C 3.6Å; L120-D123 VanDerWaalsContact O-C 3.26Å; L120-D123 PolarHBondContact O-N 3.45Å; L120-L124 WeakPolarHBondContact O-CD2 3.24Å; L120-L124 PolarHBondContact O-N 3.23Å; L120-I127 HydrophobicContact CD2-CB 3.69Å; L120-I127 HydrophobicContact CD2-CD1 4.3Å; L120-I127 HydrophobicContact CD2-CG1 4.06Å; L120-M130 HydrophobicContact CD1-CE 4.23Å; L120-M130 HydrophobicContact CD1-SD 4.44Å; L120-M130 HydrophobicContact CD2-CE 4.13Å; L120-M130 HydrophobicContact CG-CE 3.74Å; L120-M130 HydrophobicContact CG-SD 4.44Å; L120-L138 HydrophobicContact CD1-CD1 3.47Å; L120-L138 VanDerWaalsContact CD1-CD1 3.47Å; L120-L138 HydrophobicContact CD1-CD2 4.19Å; L120-L138 HydrophobicContact CD1-CG 4.48Å; L120-L150 HydrophobicContact CB-CD2 3.86Å
121K90.1Very high86.2Confident110 Ų11055.6 Ų55.648%0.47828%0.283SS..Hα-helixtrans-62.8-36.4175.9-179.9175.3-172.7169.30112.5A117 L118 Q119 A149 L150A117-K121 WeakPolarHBondContact O-CB 3.37Å; A117-K121 PolarHBondContact O-N 3.11Å; L118-K121 HydrophobicContact CD1-CD 4.5Å; L118-K121 WeakPolarHBondContact O-CB 3.25Å; L118-K121 PolarHBondContact O-N 2.66Å; Q119-K121 VanDerWaalsContact C-N 3.3Å; Q119-K121 PolarHBondContact O-N 2.92Å; K121-A149 VanDerWaalsContact CD-O 3.27Å; K121-A149 WeakPolarHBondContact CD-O 3.34Å; K121-A149 PolarHBondContact NZ-O 3.47Å; K121-A149 VanDerWaalsContact NZ-O 3.15Å; K121-L150 HydrophobicContact CB-CD2 4.38Å
122Q88.7Confident87.7Confident153 Ų15355 Ų5572%0.71527%0.271SS*.Hα-helixtrans-75.7-42.8177.5-67.3175.628.900111L118 Q119 L120L118-Q122 WeakPolarHBondContact O-CG 3.22Å; L118-Q122 PolarHBondContact O-N 2.81Å; Q119-Q122 PolarHBondContact O-N 3.25Å; Q119-Q122 VanDerWaalsContact O-N 3.16Å; L120-Q122 VanDerWaalsContact C-N 3.28Å; L120-Q122 PolarHBondContact O-N 3.44Å
123D87.3Confident88.4Confident75 Ų7553.4 Ų53.440%0.40127%0.267SS..  trans-148.3111.6-178.6-1784.5000111.2Q119 L120 T125 S126Q119-D123 PolarHBondContact O-N 3.18Å; L120-D123 CarbonylContact O-C 3.6Å; L120-D123 VanDerWaalsContact O-C 3.26Å; L120-D123 PolarHBondContact O-N 3.45Å; D123-T125 PolarHBondContact O-N 2.88Å; D123-T125 WeakPolarHBondContact OD1-CB 3.29Å; D123-T125 WeakPolarHBondContact OD1-CG2 3.29Å; D123-T125 PolarHBondContact OD1-N 3.34Å; D123-T125 PolarHBondContact OD1-OG1 3.36Å; D123-T125 PolarHBondContact OD2-OG1 3.49Å; D123-S126 VanDerWaalsContact O-CB 3.25Å; D123-S126 WeakPolarHBondContact O-CB 3.5Å; D123-S126 PolarHBondContact O-N 3.15Å; D123-S126 PolarHBondContact O-OG 2.97Å
124L86.7Confident88.5Confident102 Ų10254.5 Ų54.553%0.53427%0.274SS..G310 helixtrans-66.4-23.1177.9-67.2173.6000112.7L120 S126 I127 F152L120-L124 WeakPolarHBondContact O-CD2 3.24Å; L120-L124 PolarHBondContact O-N 3.23Å; L124-S126 PolarHBondContact O-N 3.44Å; L124-I127 WeakPolarHBondContact O-CG2 3.44Å; L124-I127 PolarHBondContact O-N 3.44Å; L124-F152 HydrophobicContact CD2-CZ 4.37Å
125T87.3Confident88.7Confident14 Ų1448.9 Ų48.99%0.08625%0.254CS..G310 helixtrans-70.2-18.7178.372.80000112.4D123 I127 I128 M289D123-T125 PolarHBondContact O-N 2.88Å; D123-T125 WeakPolarHBondContact OD1-CB 3.29Å; D123-T125 WeakPolarHBondContact OD1-CG2 3.29Å; D123-T125 PolarHBondContact OD1-N 3.34Å; D123-T125 PolarHBondContact OD1-OG1 3.36Å; D123-T125 PolarHBondContact OD2-OG1 3.49Å; T125-I127 PolarHBondContact O-N 2.88Å; T125-I128 PolarHBondContact O-N 2.95Å; T125-I128 VanDerWaalsContact O-N 3.09Å; T125-M289 HydrophobicContact CG2-CB 4.12Å; T125-M289 HydrophobicContact CG2-CE 3.81Å; T125-M289 HydrophobicContact CG2-SD 4.06Å
126S87.1Confident88.8Confident6 Ų646.6 Ų46.64%0.04224%0.239CC..G310 helixtrans-59.6-19.4177710000113.5D123 L124 I128 L129 M130D123-S126 VanDerWaalsContact O-CB 3.25Å; D123-S126 WeakPolarHBondContact O-CB 3.5Å; D123-S126 PolarHBondContact O-N 3.15Å; D123-S126 PolarHBondContact O-OG 2.97Å; L124-S126 PolarHBondContact O-N 3.44Å; S126-I128 PolarHBondContact O-N 3.32Å; S126-L129 WeakPolarHBondContact O-CB 3.48Å; S126-L129 PolarHBondContact O-N 3.34Å; S126-M130 WeakPolarHBondContact O-CG 3.3Å; S126-M130 PolarHBondContact O-N 2.64Å
127I89.4Confident88.8Confident48 Ų4846.6 Ų46.625%0.24624%0.241CC..G310 helixtrans-56.5-30.4174-151.1167.6000113.1L120 L124 T125 L129 L135 L160 L164L120-I127 HydrophobicContact CD2-CB 3.69Å; L120-I127 HydrophobicContact CD2-CD1 4.3Å; L120-I127 HydrophobicContact CD2-CG1 4.06Å; L124-I127 WeakPolarHBondContact O-CG2 3.44Å; L124-I127 PolarHBondContact O-N 3.44Å; T125-I127 PolarHBondContact O-N 2.88Å; I127-L129 VanDerWaalsContact C-N 3.26Å; I127-L129 PolarHBondContact O-N 3.46Å; I127-L135 HydrophobicContact CG1-CD2 3.74Å; I127-L160 HydrophobicContact CD1-CD1 4.47Å; I127-L164 HydrophobicContact CD1-CD2 3.44Å; I127-L164 VanDerWaalsContact CD1-CD2 3.44Å; I127-L164 HydrophobicContact CD1-CG 4.31Å; I127-L164 HydrophobicContact CG1-CD2 3.95Å
128I88Confident88.9Confident23 Ų2346.6 Ų46.612%0.11824%0.241CC..G310 helixtrans-71.9-26.1179.3-61.1167.6000110.9T125 S126 R282 Q285 I286 M289T125-I128 PolarHBondContact O-N 2.95Å; T125-I128 VanDerWaalsContact O-N 3.09Å; S126-I128 PolarHBondContact O-N 3.32Å; I128-R282 HydrophobicContact CG2-CB 4.03Å; I128-R282 HydrophobicContact CG2-CG 4.19Å; I128-Q285 HydrophobicContact CD1-CB 4.11Å; I128-Q285 HydrophobicContact CG2-CB 4.42Å; I128-I286 HydrophobicContact CB-CG1 4.23Å; I128-I286 HydrophobicContact CD1-CG1 4.13Å; I128-I286 HydrophobicContact CG2-CD1 4.23Å; I128-I286 HydrophobicContact CG2-CG1 4.04Å; I128-M289 HydrophobicContact CD1-SD 3.64Å
129L85.9Confident89Confident65 Ų6544 Ų4434%0.3423%0.229SC..THydrogen-bonded Turntrans-87.6-19.6-174.9-63.7173.8000113.5S126 I127 T243 I286S126-L129 WeakPolarHBondContact O-CB 3.48Å; S126-L129 PolarHBondContact O-N 3.34Å; I127-L129 VanDerWaalsContact C-N 3.26Å; I127-L129 PolarHBondContact O-N 3.46Å; L129-T243 WeakPolarHBondContact CA-OG1 3.2Å; L129-T243 HydrophobicContact CD2-CG2 3.6Å; L129-T243 WeakPolarHBondContact CD2-OG1 3.25Å; L129-T243 PolarHBondContact O-N 3.15Å; L129-T243 VanDerWaalsContact O-N 3.12Å; L129-T243 PolarHBondContact O-OG1 3.05Å; L129-I286 HydrophobicContact CD1-CD1 4.3Å; L129-I286 HydrophobicContact CD2-CD1 3.27Å; L129-I286 HydrophobicContact CG-CD1 3.74Å
130M86.6Confident89.1Confident9 Ų946.6 Ų46.64%0.04424%0.241CC..SBendtrans-69.6147.9-175.9-70.6-179.7-179.700111.7L116 Q119 L120 S126 D134 L135 L138L116-M130 HydrophobicContact CB-CE 4.1Å; L116-M130 HydrophobicContact CD2-CE 3.88Å; L116-M130 HydrophobicContact CD2-CG 4.35Å; L116-M130 HydrophobicContact CD2-SD 4.15Å; Q119-M130 HydrophobicContact CB-CE 4.35Å; Q119-M130 HydrophobicContact CG-CE 4.48Å; L120-M130 HydrophobicContact CD1-CE 4.23Å; L120-M130 HydrophobicContact CD1-SD 4.44Å; L120-M130 HydrophobicContact CD2-CE 4.13Å; L120-M130 HydrophobicContact CG-CE 3.74Å; L120-M130 HydrophobicContact CG-SD 4.44Å; S126-M130 WeakPolarHBondContact O-CG 3.3Å; S126-M130 PolarHBondContact O-N 2.64Å; M130-D134 HydrophobicContact CB-CB 3.98Å; M130-D134 HydrophobicContact CG-CB 4.43Å; M130-L135 HydrophobicContact CB-CD2 3.84Å; M130-L135 HydrophobicContact CB-CG 4.18Å; M130-L135 HydrophobicContact SD-CD2 4.07Å; M130-L138 HydrophobicContact SD-CD1 3.81Å
131S86.9Confident89.2Confident0 Ų046.7 Ų46.70%024%0.242CC..  trans-72.7160.5171.173.50000110.8G133 D134 L135 R240S131-G133 PolarHBondContact O-N 2.97Å; S131-D134 VanDerWaalsContact CB-OD2 3.3Å; S131-D134 WeakPolarHBondContact CB-OD2 3.2Å; S131-D134 PolarHBondContact N-OD2 2.97Å; S131-D134 WeakPolarHBondContact O-CB 3.43Å; S131-D134 PolarHBondContact O-N 3.31Å; S131-D134 PolarHBondContact OG-N 2.8Å; S131-D134 PolarHBondContact OG-OD1 2.83Å; S131-D134 PolarHBondContact OG-OD2 2.9Å; S131-L135 PolarHBondContact O-N 3.16Å; S131-R240 WeakPolarHBondContact CB-O 3.36Å
132E87.6Confident89.2Confident39 Ų3944.3 Ų44.318%0.18224%0.238CC..Hα-helixtrans-55.9-38.8175.4-166.6-176.8129.100111.8D134 L135 Q136 L168 R240E132-D134 VanDerWaalsContact C-N 3.34Å; E132-D134 PolarHBondContact O-N 3.22Å; E132-L135 PolarHBondContact O-N 3.02Å; E132-Q136 WeakPolarHBondContact O-CB 3.41Å; E132-Q136 PolarHBondContact O-N 2.98Å; E132-L168 HydrophobicContact CB-CD2 4.43Å; E132-L168 HydrophobicContact CG-CD2 3.42Å; E132-L168 VanDerWaalsContact CG-CD2 3.42Å; E132-R240 WeakPolarHBondContact OE2-CG 3.24Å; E132-R240 IonicContact OE2-NE 3.36Å
133G86Confident89.4Confident33 Ų3338.5 Ų38.534%0.3421%0.214SC..Hα-helixtrans-67.1-32.917600000113.6S131 Q136 S137S131-G133 PolarHBondContact O-N 2.97Å; G133-Q136 PolarHBondContact O-N 3.06Å; G133-S137 PolarHBondContact O-N 2.89Å
134D90.1Very high89.6Confident43 Ų4337.9 Ų37.923%0.2322%0.215CC..Hα-helixtrans-68.3-43.9175.2-61.1-34.7000110.3L116 M130 S131 E132 Q136 S137 L138L116-D134 HydrophobicContact CD1-CB 3.55Å; L116-D134 HydrophobicContact CD2-CB 4.06Å; L116-D134 HydrophobicContact CG-CB 4.47Å; M130-D134 HydrophobicContact CB-CB 3.98Å; M130-D134 HydrophobicContact CG-CB 4.43Å; S131-D134 VanDerWaalsContact CB-OD2 3.3Å; S131-D134 WeakPolarHBondContact CB-OD2 3.2Å; S131-D134 PolarHBondContact N-OD2 2.97Å; S131-D134 WeakPolarHBondContact O-CB 3.43Å; S131-D134 PolarHBondContact O-N 3.31Å; S131-D134 PolarHBondContact OG-N 2.8Å; S131-D134 PolarHBondContact OG-OD1 2.83Å; S131-D134 PolarHBondContact OG-OD2 2.9Å; E132-D134 VanDerWaalsContact C-N 3.34Å; E132-D134 PolarHBondContact O-N 3.22Å; D134-Q136 VanDerWaalsContact C-N 3.34Å; D134-Q136 PolarHBondContact O-N 2.91Å; D134-S137 PolarHBondContact O-N 3.01Å; D134-S137 PolarHBondContact O-OG 2.61Å; D134-L138 PolarHBondContact O-N 2.76Å; D134-L138 VanDerWaalsContact O-N 3.16Å
135L91.3Very high89.8Confident9 Ų937.8 Ų37.85%0.04721%0.212CC..Hα-helixtrans-61.4-42.7174-62.7-177.1000111.5I127 M130 S131 E132 S137 L138 V139 L164 L168I127-L135 HydrophobicContact CG1-CD2 3.74Å; M130-L135 HydrophobicContact CB-CD2 3.84Å; M130-L135 HydrophobicContact CB-CG 4.18Å; M130-L135 HydrophobicContact SD-CD2 4.07Å; S131-L135 PolarHBondContact O-N 3.16Å; E132-L135 PolarHBondContact O-N 3.02Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 3.01Å; L135-L138 HydrophobicContact CD2-CD1 4.49Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.36Å; L135-V139 WeakPolarHBondContact O-CG2 3.31Å; L135-V139 PolarHBondContact O-N 2.94Å; L135-V139 VanDerWaalsContact O-N 3.11Å; L135-L164 HydrophobicContact CD2-CD2 3.92Å; L135-L168 HydrophobicContact CB-CD1 4.27Å; L135-L168 HydrophobicContact CB-CD2 4.04Å; L135-L168 HydrophobicContact CB-CG 4.48Å; L135-L168 HydrophobicContact CD1-CD2 4.28Å
136Q92.6Very high89.9Confident60 Ų6037.2 Ų37.228%0.2821%0.208SC..Hα-helixtrans-60.1-42.1175.3-174.263.525.800111.2E132 G133 D134 L138 V139 E140 L168E132-Q136 WeakPolarHBondContact O-CB 3.41Å; E132-Q136 PolarHBondContact O-N 2.98Å; G133-Q136 PolarHBondContact O-N 3.06Å; D134-Q136 VanDerWaalsContact C-N 3.34Å; D134-Q136 PolarHBondContact O-N 2.91Å; Q136-L138 VanDerWaalsContact C-N 3.27Å; Q136-L138 PolarHBondContact O-N 2.8Å; Q136-V139 PolarHBondContact O-N 3.41Å; Q136-V139 VanDerWaalsContact O-N 3.09Å; Q136-E140 HydrophobicContact CG-CG 4.42Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.31Å; Q136-E140 PolarHBondContact NE2-OE1 2.88Å; Q136-E140 WeakPolarHBondContact O-CG 3.47Å; Q136-E140 PolarHBondContact O-N 3.26Å; Q136-L168 HydrophobicContact CB-CD1 4.31Å; Q136-L168 VanDerWaalsContact OE1-CD1 3.26Å
137S91.4Very high90.2Very high21 Ų2137.1 Ų37.115%0.14721%0.208CC..Hα-helixtrans-62.6-32.8177.879.10000113.1W113 L116 G133 D134 L135 A141W113-S137 VanDerWaalsContact CB-O 3.28Å; W113-S137 WeakPolarHBondContact CB-O 3.35Å; L116-S137 VanDerWaalsContact CD1-OG 3.25Å; L116-S137 WeakPolarHBondContact CD1-OG 3.33Å; G133-S137 PolarHBondContact O-N 2.89Å; D134-S137 PolarHBondContact O-N 3.01Å; D134-S137 PolarHBondContact O-OG 2.61Å; L135-S137 VanDerWaalsContact C-N 3.31Å; L135-S137 PolarHBondContact O-N 3.01Å; S137-A141 PolarHBondContact O-N 3.28Å
138L92.4Very high90.3Very high1 Ų139.1 Ų39.11%0.00523%0.227CC..Hα-helixtrans-71.9-33.9174.3-71.9165.8000112.4W113 L116 A117 L120 M130 D134 L135 Q136 A141 L146 Q161 L164W113-L138 HydrophobicContact CB-CD2 4.3Å; L116-L138 HydrophobicContact CB-CD1 4.15Å; L116-L138 HydrophobicContact CB-CD2 3.84Å; L116-L138 HydrophobicContact CB-CG 4.06Å; L116-L138 HydrophobicContact CD1-CG 4.43Å; A117-L138 HydrophobicContact CB-CD2 4.2Å; L120-L138 HydrophobicContact CD1-CD1 3.47Å; L120-L138 VanDerWaalsContact CD1-CD1 3.47Å; L120-L138 HydrophobicContact CD1-CD2 4.19Å; L120-L138 HydrophobicContact CD1-CG 4.48Å; M130-L138 HydrophobicContact SD-CD1 3.81Å; D134-L138 PolarHBondContact O-N 2.76Å; D134-L138 VanDerWaalsContact O-N 3.16Å; L135-L138 HydrophobicContact CD2-CD1 4.49Å; L135-L138 WeakPolarHBondContact O-CB 3.39Å; L135-L138 PolarHBondContact O-N 3.36Å; Q136-L138 VanDerWaalsContact C-N 3.27Å; Q136-L138 PolarHBondContact O-N 2.8Å; L138-A141 WeakPolarHBondContact O-CB 3.33Å; L138-L146 HydrophobicContact CD2-CD1 4.1Å; L138-Q161 PolarHBondContact O-NE2 3.28Å; L138-L164 HydrophobicContact CB-CD1 4.1Å
139V93.6Very high90.3Very high24 Ų2438.4 Ų38.415%0.14522%0.224CC..Hα-helixtrans-71-39.6175.6176.80000111.2L135 Q136 A141 Q161 L164 Q165 L168L135-V139 WeakPolarHBondContact O-CG2 3.31Å; L135-V139 PolarHBondContact O-N 2.94Å; L135-V139 VanDerWaalsContact O-N 3.11Å; Q136-V139 PolarHBondContact O-N 3.41Å; Q136-V139 VanDerWaalsContact O-N 3.09Å; V139-A141 PolarHBondContact O-N 3.03Å; V139-Q161 PolarHBondContact O-NE2 3.36Å; V139-L164 HydrophobicContact CG2-CB 3.48Å; V139-L164 VanDerWaalsContact CG2-CB 3.48Å; V139-L164 HydrophobicContact CG2-CD1 4.31Å; V139-Q165 HydrophobicContact CG1-CB 4.21Å; V139-Q165 VanDerWaalsContact CG1-OE1 3.32Å; V139-L168 HydrophobicContact CG2-CD1 4.24Å
140E92.3Very high90.5Very high140 Ų14035.6 Ų35.665%0.65421%0.209SC*.Hα-helixtrans-75.7-11.1179.2-68.9174.4-178.400113.5Q136Q136-E140 HydrophobicContact CG-CG 4.42Å; Q136-E140 WeakPolarHBondContact CG-OE1 3.31Å; Q136-E140 PolarHBondContact NE2-OE1 2.88Å; Q136-E140 WeakPolarHBondContact O-CG 3.47Å; Q136-E140 PolarHBondContact O-N 3.26Å
141A91.9Very high90.5Very high6 Ų638 Ų385%0.0524%0.236CC..SBendtrans-64.6144.3178.700000112.2W113 S137 L138 V139 C143 L146 Q161W113-A141 HydrophobicContact CB-CB 4.22Å; W113-A141 HydrophobicContact CD2-CB 3.4Å; W113-A141 HydrophobicContact CE3-CB 3.69Å; W113-A141 HydrophobicContact CG-CB 3.65Å; W113-A141 HydrophobicContact CH2-CB 4.48Å; W113-A141 HydrophobicContact CZ2-CB 4.24Å; W113-A141 HydrophobicContact CZ3-CB 4.24Å; S137-A141 PolarHBondContact O-N 3.28Å; L138-A141 WeakPolarHBondContact O-CB 3.33Å; V139-A141 PolarHBondContact O-N 3.03Å; A141-C143 PolarHBondContact O-N 2.94Å; A141-C143 VanDerWaalsContact O-N 3.16Å; A141-L146 HydrophobicContact CB-CB 4.41Å; A141-Q161 PolarHBondContact O-NE2 3.12Å
142P91.4Very high90.6Very high60 Ų6041.9 Ų41.939%0.3925%0.253SS..  trans-58.2120.1172.2-2232.4000111.5S144 E145 L146P142-S144 VanDerWaalsContact C-N 3.29Å; P142-S144 PolarHBondContact O-N 3.36Å; P142-E145 HydrophobicContact CB-CB 4.29Å; P142-E145 HydrophobicContact CB-CG 4.16Å; P142-E145 PolarHBondContact O-N 2.96Å; P142-L146 PolarHBondContact O-N 3.21Å
143C91.8Very high90.9Very high30 Ų3046.6 Ų46.620%0.20328%0.275CS..Hα-helixtrans-54.2-41.2-173.1-178.30000113.2A141 E145 L146 A147A141-C143 PolarHBondContact O-N 2.94Å; A141-C143 VanDerWaalsContact O-N 3.16Å; C143-E145 PolarHBondContact O-N 2.88Å; C143-L146 PolarHBondContact O-N 3.25Å; C143-A147 VanDerWaalsContact O-CB 3.28Å; C143-A147 WeakPolarHBondContact O-CB 3.43Å; C143-A147 PolarHBondContact O-N 3.32Å
144S91.3Very high91.1Very high62 Ų6250.6 Ų50.643%0.43429%0.285SS..Hα-helixtrans-63.1-39.3178.2560000113.3P142 S148P142-S144 VanDerWaalsContact C-N 3.29Å; P142-S144 PolarHBondContact O-N 3.36Å; S144-S148 PolarHBondContact O-N 2.93Å; S144-S148 PolarHBondContact O-OG 3.09Å
145E90.5Very high91.3Very high100 Ų10055.1 Ų55.147%0.46730%0.303SS..Hα-helixtrans-76.5-39.5179.4-62.2-177.9-164.400110.9W113 P142 C143 S148 A149W113-E145 HydrophobicContact CH2-CB 3.66Å; W113-E145 HydrophobicContact CZ2-CB 4.08Å; P142-E145 HydrophobicContact CB-CB 4.29Å; P142-E145 HydrophobicContact CB-CG 4.16Å; P142-E145 PolarHBondContact O-N 2.96Å; C143-E145 PolarHBondContact O-N 2.88Å; E145-S148 WeakPolarHBondContact O-CB 3.38Å; E145-S148 PolarHBondContact O-N 2.65Å; E145-A149 WeakPolarHBondContact O-CB 3.3Å; E145-A149 PolarHBondContact O-N 3.47Å
146L91Very high91.4Very high2 Ų260.2 Ų60.21%0.0133%0.325CS..Hα-helixtrans-61.9-44174.3-178.464.5000111.8W113 A117 L138 A141 P142 C143 S148 A149 L150 Q161W113-L146 HydrophobicContact CE3-CD1 3.97Å; W113-L146 HydrophobicContact CZ3-CB 4.14Å; W113-L146 HydrophobicContact CZ3-CD1 3.94Å; A117-L146 HydrophobicContact CB-CD1 3.68Å; L138-L146 HydrophobicContact CD2-CD1 4.1Å; A141-L146 HydrophobicContact CB-CB 4.41Å; P142-L146 PolarHBondContact O-N 3.21Å; C143-L146 PolarHBondContact O-N 3.25Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.14Å; L146-A149 PolarHBondContact O-N 3.3Å; L146-L150 HydrophobicContact CD1-CD1 3.84Å; L146-L150 HydrophobicContact CD1-CG 4.16Å; L146-L150 HydrophobicContact CD2-CD1 4.47Å; L146-L150 HydrophobicContact CG-CD1 3.82Å; L146-L150 HydrophobicContact CG-CG 4.48Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 2.96Å; L146-Q161 HydrophobicContact CD2-CG 3.61Å
147A92.7Very high91.4Very high5 Ų557.4 Ų57.44%0.04131%0.311CS..Hα-helixtrans-58.7-43.6174.700000111.3C143 G151 F152 E154 A157C143-A147 VanDerWaalsContact O-CB 3.28Å; C143-A147 WeakPolarHBondContact O-CB 3.43Å; C143-A147 PolarHBondContact O-N 3.32Å; A147-G151 CarbonylContact O-C 3.59Å; A147-G151 WeakPolarHBondContact O-CA 3.38Å; A147-G151 PolarHBondContact O-N 3.5Å; A147-F152 PolarHBondContact O-N 2.79Å; A147-E154 HydrophobicContact CB-CB 4.42Å; A147-A157 HydrophobicContact CB-CB 3.68Å
148S90.8Very high91.6Very high90 Ų9062.1 Ų62.163%0.62933%0.331SS*.Hα-helixtrans-64.6-42.5177.1-59.70000112S144 E145 L146 G151S144-S148 PolarHBondContact O-N 2.93Å; S144-S148 PolarHBondContact O-OG 3.09Å; E145-S148 WeakPolarHBondContact O-CB 3.38Å; E145-S148 PolarHBondContact O-N 2.65Å; L146-S148 VanDerWaalsContact C-N 3.29Å; L146-S148 PolarHBondContact O-N 3.14Å; S148-G151 PolarHBondContact O-N 2.69Å
149A89.2Confident91.7Very high8 Ų866.4 Ų66.47%0.06635%0.351CS..Hα-helixtrans-61.1-52.2177.500000111.2W113 W114 A117 K121 E145 L146 G151W113-A149 HydrophobicContact CZ3-CB 4.28Å; W114-A149 HydrophobicContact CD2-CB 4.47Å; W114-A149 HydrophobicContact CE3-CB 3.87Å; W114-A149 HydrophobicContact CH2-CB 3.74Å; W114-A149 HydrophobicContact CZ2-CB 4.35Å; W114-A149 HydrophobicContact CZ3-CB 3.48Å; W114-A149 VanDerWaalsContact CZ3-CB 3.48Å; A117-A149 HydrophobicContact CB-CB 3.93Å; K121-A149 VanDerWaalsContact CD-O 3.27Å; K121-A149 WeakPolarHBondContact CD-O 3.34Å; K121-A149 PolarHBondContact NZ-O 3.47Å; K121-A149 VanDerWaalsContact NZ-O 3.15Å; E145-A149 WeakPolarHBondContact O-CB 3.3Å; E145-A149 PolarHBondContact O-N 3.47Å; L146-A149 PolarHBondContact O-N 3.3Å; A149-G151 VanDerWaalsContact C-N 3.26Å; A149-G151 PolarHBondContact O-N 3.01Å
150L88.7Confident91.8Very high5 Ų567.1 Ų67.13%0.02635%0.354CS..Hα-helixtrans-69.8-21.6-179.7-67.2170.6000112.9A117 L120 K121 L146 F152 L160A117-L150 HydrophobicContact CB-CD2 4.31Å; A117-L150 HydrophobicContact CB-CG 4.45Å; A117-L150 VanDerWaalsContact O-CD2 3.24Å; A117-L150 WeakPolarHBondContact O-CD2 3.42Å; L120-L150 HydrophobicContact CB-CD2 3.86Å; K121-L150 HydrophobicContact CB-CD2 4.38Å; L146-L150 HydrophobicContact CD1-CD1 3.84Å; L146-L150 HydrophobicContact CD1-CG 4.16Å; L146-L150 HydrophobicContact CD2-CD1 4.47Å; L146-L150 HydrophobicContact CG-CD1 3.82Å; L146-L150 HydrophobicContact CG-CG 4.48Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 WeakPolarHBondContact O-CG 3.34Å; L146-L150 PolarHBondContact O-N 2.96Å; L150-F152 HydrophobicContact CB-CB 4.37Å; L150-F152 HydrophobicContact CB-CD1 4.38Å; L150-F152 HydrophobicContact CB-CD2 3.76Å; L150-F152 HydrophobicContact CB-CE2 4.09Å; L150-F152 HydrophobicContact CB-CG 3.92Å; L150-F152 HydrophobicContact CD1-CD2 3.83Å; L150-F152 HydrophobicContact CD1-CE2 4.01Å; L150-F152 HydrophobicContact CG-CD2 4.39Å; L150-F152 HydrophobicContact CG-CE2 4.49Å; L150-L160 HydrophobicContact CD1-CD2 3.75Å
151G88.2Confident91.9Very high59 Ų5961.5 Ų61.561%0.60833%0.328SS*.THydrogen-bonded Turntrans7428.4-171.700000112.6A147 S148 A149A147-G151 CarbonylContact O-C 3.59Å; A147-G151 WeakPolarHBondContact O-CA 3.38Å; A147-G151 PolarHBondContact O-N 3.5Å; S148-G151 PolarHBondContact O-N 2.69Å; A149-G151 VanDerWaalsContact C-N 3.26Å; A149-G151 PolarHBondContact O-N 3.01Å
152F88.8Confident92.2Very high82 Ų8266.7 Ų66.736%0.3635%0.351SS..  trans-98.3164.4178.6-68.9-12.6000111.7L124 A147 L150 K156 L160L124-F152 HydrophobicContact CD2-CZ 4.37Å; A147-F152 PolarHBondContact O-N 2.79Å; L150-F152 HydrophobicContact CB-CB 4.37Å; L150-F152 HydrophobicContact CB-CD1 4.38Å; L150-F152 HydrophobicContact CB-CD2 3.76Å; L150-F152 HydrophobicContact CB-CE2 4.09Å; L150-F152 HydrophobicContact CB-CG 3.92Å; L150-F152 HydrophobicContact CD1-CD2 3.83Å; L150-F152 HydrophobicContact CD1-CE2 4.01Å; L150-F152 HydrophobicContact CG-CD2 4.39Å; L150-F152 HydrophobicContact CG-CE2 4.49Å; F152-K156 HydrophobicContact CB-CB 4.31Å; F152-L160 HydrophobicContact CE2-CD2 4.47Å
153Q92.4Very high92.4Very high138 Ų13867 Ų6765%0.64535%0.352SS*.  trans-70.3145.6162-69.1176.8-15.100108.8K155 K156 A157Q153-K155 VanDerWaalsContact C-N 3.27Å; Q153-K155 PolarHBondContact O-N 3.36Å; Q153-K156 HydrophobicContact CB-CG 4.45Å; Q153-K156 WeakPolarHBondContact O-CB 3.42Å; Q153-K156 PolarHBondContact O-N 2.98Å; Q153-A157 PolarHBondContact O-N 3.3Å; Q153-A157 VanDerWaalsContact O-N 3.15Å
154E91.6Very high92.5Very high117 Ų11766 Ų6655%0.54735%0.345SS..Hα-helixtrans-52.5-44.6-178.4-168.2171-173.600112.4A147 K156 A157 E158A147-E154 HydrophobicContact CB-CB 4.42Å; E154-K156 VanDerWaalsContact C-N 3.28Å; E154-K156 PolarHBondContact O-N 2.94Å; E154-A157 WeakPolarHBondContact O-CB 3.36Å; E154-A157 PolarHBondContact O-N 3.44Å; E154-E158 PolarHBondContact O-N 3.45Å
155K93.8Very high92.7Very high138 Ų13866 Ų6660%0.634%0.338SS*.Hα-helixtrans-56.3-38.2175.3-171.4-178.2178.9-168.20113.8Q153 E158 E159Q153-K155 VanDerWaalsContact C-N 3.27Å; Q153-K155 PolarHBondContact O-N 3.36Å; K155-E158 PolarHBondContact O-N 3.16Å; K155-E159 VanDerWaalsContact CE-OE1 3.28Å; K155-E159 WeakPolarHBondContact CE-OE1 3.45Å; K155-E159 IonicContact NZ-OE1 3.9Å; K155-E159 WeakPolarHBondContact O-CG 3.2Å; K155-E159 PolarHBondContact O-N 2.91Å
156K92.9Very high93Very high117 Ų11767.4 Ų67.451%0.50934%0.338SS..Hα-helixtrans-73.4-32.6178.6-67.5-172.3177.8-174.40111.8F152 Q153 E154 L160F152-K156 HydrophobicContact CB-CB 4.31Å; Q153-K156 HydrophobicContact CB-CG 4.45Å; Q153-K156 WeakPolarHBondContact O-CB 3.42Å; Q153-K156 PolarHBondContact O-N 2.98Å; E154-K156 VanDerWaalsContact C-N 3.28Å; E154-K156 PolarHBondContact O-N 2.94Å; K156-L160 WeakPolarHBondContact O-CB 3.35Å; K156-L160 PolarHBondContact O-N 3.24Å
157A92.9Very high93Very high0 Ų070.1 Ų70.10%036%0.355CS..Hα-helixtrans-68.2-39.8173.500000110.6A147 Q153 E154 L160 Q161A147-A157 HydrophobicContact CB-CB 3.68Å; Q153-A157 PolarHBondContact O-N 3.3Å; Q153-A157 VanDerWaalsContact O-N 3.15Å; E154-A157 WeakPolarHBondContact O-CB 3.36Å; E154-A157 PolarHBondContact O-N 3.44Å; A157-L160 WeakPolarHBondContact O-CB 3.37Å; A157-L160 PolarHBondContact O-N 3.36Å; A157-Q161 WeakPolarHBondContact O-CG 3.44Å; A157-Q161 PolarHBondContact O-N 2.9Å
158E94.9Very high92.9Very high120 Ų12070.2 Ų70.256%0.56136%0.355SS*.Hα-helixtrans-61-48.2173.1-170.4179.7-16900111.7E154 K155 L160 Q161 E162E154-E158 PolarHBondContact O-N 3.45Å; K155-E158 PolarHBondContact O-N 3.16Å; E158-L160 VanDerWaalsContact C-N 3.27Å; E158-L160 PolarHBondContact O-N 3.08Å; E158-Q161 PolarHBondContact O-N 2.74Å; E158-E162 PolarHBondContact O-N 2.93Å
159E96.1Very high93.1Very high92 Ų9269.6 Ų69.643%0.4335%0.345SS..Hα-helixtrans-59.5-36.8175.2-74.3170.8-170.900112.2K155 T163K155-E159 VanDerWaalsContact CE-OE1 3.28Å; K155-E159 WeakPolarHBondContact CE-OE1 3.45Å; K155-E159 IonicContact NZ-OE1 3.9Å; K155-E159 WeakPolarHBondContact O-CG 3.2Å; K155-E159 PolarHBondContact O-N 2.91Å; E159-T163 WeakPolarHBondContact O-CB 3.48Å; E159-T163 PolarHBondContact O-N 2.9Å; E159-T163 PolarHBondContact O-OG1 3.34Å
160L94.1Very high93.2Very high38 Ų3877 Ų7720%0.19937%0.371CS..Hα-helixtrans-66.5-47.6174.5176.165000111.3I127 L150 F152 K156 A157 E158 E162 T163 L164I127-L160 HydrophobicContact CD1-CD1 4.47Å; L150-L160 HydrophobicContact CD1-CD2 3.75Å; F152-L160 HydrophobicContact CE2-CD2 4.47Å; K156-L160 WeakPolarHBondContact O-CB 3.35Å; K156-L160 PolarHBondContact O-N 3.24Å; A157-L160 WeakPolarHBondContact O-CB 3.37Å; A157-L160 PolarHBondContact O-N 3.36Å; E158-L160 VanDerWaalsContact C-N 3.27Å; E158-L160 PolarHBondContact O-N 3.08Å; L160-E162 VanDerWaalsContact C-N 3.35Å; L160-E162 PolarHBondContact O-N 2.89Å; L160-T163 PolarHBondContact O-N 3.1Å; L160-L164 HydrophobicContact CD1-CG 4.4Å; L160-L164 HydrophobicContact CG-CD1 4.3Å; L160-L164 WeakPolarHBondContact O-CB 3.35Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 2.98Å
161Q95.6Very high93.2Very high23 Ų2380.2 Ų80.211%0.10738%0.383CS..Hα-helixtrans-61.3-42.5178-73.8-177.1-49.600111.5L138 V139 A141 L146 A157 E158 T163 L164 Q165L138-Q161 PolarHBondContact O-NE2 3.28Å; V139-Q161 PolarHBondContact O-NE2 3.36Å; A141-Q161 PolarHBondContact O-NE2 3.12Å; L146-Q161 HydrophobicContact CD2-CG 3.61Å; A157-Q161 WeakPolarHBondContact O-CG 3.44Å; A157-Q161 PolarHBondContact O-N 2.9Å; E158-Q161 PolarHBondContact O-N 2.74Å; Q161-T163 VanDerWaalsContact C-N 3.32Å; Q161-T163 PolarHBondContact O-N 2.99Å; Q161-L164 PolarHBondContact O-N 3.43Å; Q161-Q165 WeakPolarHBondContact O-CB 3.21Å; Q161-Q165 PolarHBondContact O-N 3.47Å
162E96.6Very high93.2Very high114 Ų11479.7 Ų79.753%0.53336%0.364SS..Hα-helixtrans-62.5-40.9175.5-166.7-164.8163.600111.5E158 L160 Q165 R166E158-E162 PolarHBondContact O-N 2.93Å; L160-E162 VanDerWaalsContact C-N 3.35Å; L160-E162 PolarHBondContact O-N 2.89Å; E162-Q165 PolarHBondContact O-N 2.95Å; E162-R166 VanDerWaalsContact CD-NH2 3.27Å; E162-R166 WeakPolarHBondContact O-CB 3.25Å; E162-R166 PolarHBondContact O-N 2.91Å; E162-R166 IonicContact OE1-CZ 3.95Å; E162-R166 IonicContact OE1-NH2 2.73Å; E162-R166 PolarHBondContact OE1-NH2 2.91Å; E162-R166 IonicContact OE2-NH2 3.96Å
163T95.8Very high93.2Very high68 Ų6881.9 Ų81.942%0.41738%0.376SS..Hα-helixtrans-65.5-42.7177.1-59.70000111.5E159 L160 Q161 R166 V167E159-T163 WeakPolarHBondContact O-CB 3.48Å; E159-T163 PolarHBondContact O-N 2.9Å; E159-T163 PolarHBondContact O-OG1 3.34Å; L160-T163 PolarHBondContact O-N 3.1Å; Q161-T163 VanDerWaalsContact C-N 3.32Å; Q161-T163 PolarHBondContact O-N 2.99Å; T163-R166 PolarHBondContact O-N 3.14Å; T163-V167 WeakPolarHBondContact O-CG2 3.46Å; T163-V167 PolarHBondContact O-N 2.93Å
164L94.4Very high92.9Very high9 Ų980.3 Ų80.35%0.04737%0.368CS..Hα-helixtrans-61.1-48.5175-78.1178000111.5I127 L135 L138 V139 L160 Q161 R166 V167 L168I127-L164 HydrophobicContact CD1-CD2 3.44Å; I127-L164 VanDerWaalsContact CD1-CD2 3.44Å; I127-L164 HydrophobicContact CD1-CG 4.31Å; I127-L164 HydrophobicContact CG1-CD2 3.95Å; L135-L164 HydrophobicContact CD2-CD2 3.92Å; L138-L164 HydrophobicContact CB-CD1 4.1Å; V139-L164 HydrophobicContact CG2-CB 3.48Å; V139-L164 VanDerWaalsContact CG2-CB 3.48Å; V139-L164 HydrophobicContact CG2-CD1 4.31Å; L160-L164 HydrophobicContact CD1-CG 4.4Å; L160-L164 HydrophobicContact CG-CD1 4.3Å; L160-L164 WeakPolarHBondContact O-CB 3.35Å; L160-L164 WeakPolarHBondContact O-CG 3.33Å; L160-L164 PolarHBondContact O-N 2.98Å; Q161-L164 PolarHBondContact O-N 3.43Å; L164-R166 VanDerWaalsContact C-N 3.34Å; L164-R166 PolarHBondContact O-N 2.7Å; L164-V167 PolarHBondContact O-N 3.07Å; L164-V167 VanDerWaalsContact O-N 3.13Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.35Å
165Q96.3Very high92.7Very high61 Ų6176.5 Ų76.529%0.28535%0.349SS..Hα-helixtrans-57.4-47177-174.761.761.200111.2V139 Q161 E162 V167 L168 D169V139-Q165 HydrophobicContact CG1-CB 4.21Å; V139-Q165 VanDerWaalsContact CG1-OE1 3.32Å; Q161-Q165 WeakPolarHBondContact O-CB 3.21Å; Q161-Q165 PolarHBondContact O-N 3.47Å; E162-Q165 PolarHBondContact O-N 2.95Å; Q165-V167 VanDerWaalsContact C-N 3.27Å; Q165-V167 PolarHBondContact O-N 3.46Å; Q165-L168 WeakPolarHBondContact O-CB 3.48Å; Q165-L168 PolarHBondContact O-N 3.32Å; Q165-L168 VanDerWaalsContact O-N 3.08Å; Q165-D169 PolarHBondContact NE2-OD1 3.28Å; Q165-D169 PolarHBondContact O-N 3.43Å
166R95.4Very high92.3Very high129 Ų12974.8 Ų74.849%0.48734%0.343SS..Hα-helixtrans-61-35.6178.4-166.7-176-57.8111.6-1.5112.8E162 T163 L164 R170E162-R166 VanDerWaalsContact CD-NH2 3.27Å; E162-R166 WeakPolarHBondContact O-CB 3.25Å; E162-R166 PolarHBondContact O-N 2.91Å; E162-R166 IonicContact OE1-CZ 3.95Å; E162-R166 IonicContact OE1-NH2 2.73Å; E162-R166 PolarHBondContact OE1-NH2 2.91Å; E162-R166 IonicContact OE2-NH2 3.96Å; T163-R166 PolarHBondContact O-N 3.14Å; L164-R166 VanDerWaalsContact C-N 3.34Å; L164-R166 PolarHBondContact O-N 2.7Å; R166-R170 WeakPolarHBondContact O-CB 3.36Å; R166-R170 PolarHBondContact O-N 2.96Å
167V91.5Very high92.1Very high60 Ų6072.3 Ų72.336%0.36434%0.341SS..Hα-helixtrans-68.5-40.7175.5168.40000111T163 L164 Q165 R171T163-V167 WeakPolarHBondContact O-CG2 3.46Å; T163-V167 PolarHBondContact O-N 2.93Å; L164-V167 PolarHBondContact O-N 3.07Å; L164-V167 VanDerWaalsContact O-N 3.13Å; Q165-V167 VanDerWaalsContact C-N 3.27Å; Q165-V167 PolarHBondContact O-N 3.46Å; V167-R171 WeakPolarHBondContact O-CG 3.12Å; V167-R171 PolarHBondContact O-N 2.97Å; V167-R171 VanDerWaalsContact O-N 3.08Å
168L92Very high91.8Very high7 Ų777.1 Ų77.14%0.03736%0.362CS..Hα-helixtrans-64-47.7176-67.5173.1000111.2E132 L135 Q136 V139 L164 Q165 R170 R171 E172E132-L168 HydrophobicContact CB-CD2 4.43Å; E132-L168 HydrophobicContact CG-CD2 3.42Å; E132-L168 VanDerWaalsContact CG-CD2 3.42Å; L135-L168 HydrophobicContact CB-CD1 4.27Å; L135-L168 HydrophobicContact CB-CD2 4.04Å; L135-L168 HydrophobicContact CB-CG 4.48Å; L135-L168 HydrophobicContact CD1-CD2 4.28Å; Q136-L168 HydrophobicContact CB-CD1 4.31Å; Q136-L168 VanDerWaalsContact OE1-CD1 3.26Å; V139-L168 HydrophobicContact CG2-CD1 4.24Å; L164-L168 WeakPolarHBondContact O-CG 3.45Å; L164-L168 PolarHBondContact O-N 3.35Å; Q165-L168 WeakPolarHBondContact O-CB 3.48Å; Q165-L168 PolarHBondContact O-N 3.32Å; Q165-L168 VanDerWaalsContact O-N 3.08Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.01Å; L168-R171 PolarHBondContact O-N 3.28Å; L168-E172 PolarHBondContact O-N 3.48Å
169D93.3Very high91.4Very high77 Ų7775.2 Ų75.241%0.41235%0.353SS..Hα-helixtrans-57.3-47.3177.1-63.7-19.9000110.9Q165 R171 E172 E173Q165-D169 PolarHBondContact NE2-OD1 3.28Å; Q165-D169 PolarHBondContact O-N 3.43Å; D169-R171 PolarHBondContact O-N 2.8Å; D169-E172 PolarHBondContact O-N 2.88Å; D169-E173 WeakPolarHBondContact O-CG 3.38Å; D169-E173 PolarHBondContact O-N 2.95Å
170R91.1Very high91.1Very high163 Ų16376.5 Ų76.562%0.61536%0.362SS*.Hα-helixtrans-60.5-42.5178.1179.5177173.41703.1112.7R166 L168 E172 E173 E174R166-R170 WeakPolarHBondContact O-CB 3.36Å; R166-R170 PolarHBondContact O-N 2.96Å; L168-R170 VanDerWaalsContact C-N 3.33Å; L168-R170 PolarHBondContact O-N 3.01Å; R170-E172 VanDerWaalsContact C-N 3.29Å; R170-E172 PolarHBondContact O-N 3.34Å; R170-E173 PolarHBondContact O-N 2.66Å; R170-E174 IonicContact CZ-OE1 3.7Å; R170-E174 IonicContact NE-OE1 2.95Å; R170-E174 PolarHBondContact NE-OE1 3.18Å; R170-E174 IonicContact NH2-OE1 3.52Å; R170-E174 WeakPolarHBondContact O-CG 3.05Å; R170-E174 PolarHBondContact O-N 3.48Å
171R88.7Confident90.9Very high73 Ų7379.6 Ų79.628%0.27538%0.378SS..Hα-helixtrans-62.1-41.2177.2-75.4174.9178.8-97.83.7110.9V167 L168 D169 E174 R175 E278V167-R171 WeakPolarHBondContact O-CG 3.12Å; V167-R171 PolarHBondContact O-N 2.97Å; V167-R171 VanDerWaalsContact O-N 3.08Å; L168-R171 PolarHBondContact O-N 3.28Å; D169-R171 PolarHBondContact O-N 2.8Å; R171-E174 PolarHBondContact O-N 3.18Å; R171-R175 PolarHBondContact O-N 3.49Å; R171-R175 VanDerWaalsContact O-N 3.09Å; R171-E278 IonicContact NH1-OE1 3.91Å
172E89.1Confident90.5Very high48 Ų4884 Ų8422%0.22440%0.398CS..Hα-helixtrans-68.3-40.2177.7177.857.2-158.600112.1L168 D169 R170 R175 Q176 R240L168-E172 PolarHBondContact O-N 3.48Å; D169-E172 PolarHBondContact O-N 2.88Å; R170-E172 VanDerWaalsContact C-N 3.29Å; R170-E172 PolarHBondContact O-N 3.34Å; E172-R175 WeakPolarHBondContact O-CB 3.33Å; E172-R175 PolarHBondContact O-N 3.08Å; E172-R175 IonicContact OE1-CZ 3.57Å; E172-R175 IonicContact OE1-NE 2.76Å; E172-R175 PolarHBondContact OE1-NE 3.39Å; E172-R175 IonicContact OE1-NH2 3.54Å; E172-R175 PolarHBondContact OE1-NH2 2.81Å; E172-R175 IonicContact OE2-CZ 3.67Å; E172-R175 IonicContact OE2-NE 2.61Å; E172-R175 PolarHBondContact OE2-NE 3.4Å; E172-R175 IonicContact OE2-NH2 3.35Å; E172-Q176 VanDerWaalsContact O-CG 3.31Å; E172-Q176 WeakPolarHBondContact O-CG 3.24Å; E172-Q176 PolarHBondContact O-N 2.73Å; E172-Q176 PolarHBondContact OE1-NE2 3.48Å; E172-R240 IonicContact OE2-NH2 3.87Å
173E89.2Confident90.1Very high127 Ų12783.4 Ų83.459%0.59340%0.399SS*.Hα-helixtrans-60.1-46.6172.6-74.5178.1176.100112.2D169 R170 R175 Q176 S177D169-E173 WeakPolarHBondContact O-CG 3.38Å; D169-E173 PolarHBondContact O-N 2.95Å; R170-E173 PolarHBondContact O-N 2.66Å; E173-R175 VanDerWaalsContact C-N 3.26Å; E173-R175 PolarHBondContact O-N 2.77Å; E173-Q176 PolarHBondContact O-N 3.28Å; E173-S177 WeakPolarHBondContact O-CB 3.26Å; E173-S177 PolarHBondContact O-N 3.01Å
174E86.8Confident89.9Confident105 Ų10587.5 Ų87.549%0.49141%0.407SS..Hα-helixtrans-59.7-39.4177.5-75.1175.2-171.200111R170 R171 K178R170-E174 IonicContact CZ-OE1 3.7Å; R170-E174 IonicContact NE-OE1 2.95Å; R170-E174 PolarHBondContact NE-OE1 3.18Å; R170-E174 IonicContact NH2-OE1 3.52Å; R170-E174 WeakPolarHBondContact O-CG 3.05Å; R170-E174 PolarHBondContact O-N 3.48Å; R171-E174 PolarHBondContact O-N 3.18Å; E174-K178 WeakPolarHBondContact O-CB 3.25Å; E174-K178 PolarHBondContact O-N 3.39Å
175R85.4Confident89.7Confident37 Ų3792 Ų9214%0.1443%0.431CS..Hα-helixtrans-64.1-49.8175.3-172.8-165.875.359.7-6.2112.2R171 E172 E173 S177 K178 E179 S236R171-R175 PolarHBondContact O-N 3.49Å; R171-R175 VanDerWaalsContact O-N 3.09Å; E172-R175 WeakPolarHBondContact O-CB 3.33Å; E172-R175 PolarHBondContact O-N 3.08Å; E172-R175 IonicContact OE1-CZ 3.57Å; E172-R175 IonicContact OE1-NE 2.76Å; E172-R175 PolarHBondContact OE1-NE 3.39Å; E172-R175 IonicContact OE1-NH2 3.54Å; E172-R175 PolarHBondContact OE1-NH2 2.81Å; E172-R175 IonicContact OE2-CZ 3.67Å; E172-R175 IonicContact OE2-NE 2.61Å; E172-R175 PolarHBondContact OE2-NE 3.4Å; E172-R175 IonicContact OE2-NH2 3.35Å; E173-R175 VanDerWaalsContact C-N 3.26Å; E173-R175 PolarHBondContact O-N 2.77Å; R175-S177 VanDerWaalsContact C-N 3.3Å; R175-S177 PolarHBondContact O-N 2.98Å; R175-K178 PolarHBondContact O-N 2.84Å; R175-E179 IonicContact NH1-OE2 2.87Å; R175-E179 PolarHBondContact NH1-OE2 2.76Å; R175-E179 PolarHBondContact O-N 2.94Å; R175-S236 WeakPolarHBondContact CG-OG 3.35Å
176Q87.4Confident89.5Confident103 Ų10395.4 Ų95.448%0.48145%0.445SS..Hα-helixtrans-61.5-41179-70.5176.610.100111.4E172 E173 E179 L180E172-Q176 VanDerWaalsContact O-CG 3.31Å; E172-Q176 WeakPolarHBondContact O-CG 3.24Å; E172-Q176 PolarHBondContact O-N 2.73Å; E172-Q176 PolarHBondContact OE1-NE2 3.48Å; E173-Q176 PolarHBondContact O-N 3.28Å; Q176-E179 PolarHBondContact O-N 3.44Å; Q176-L180 WeakPolarHBondContact O-CB 3.19Å; Q176-L180 PolarHBondContact O-N 3.02Å
177S88.8Confident89.4Confident65 Ų6591.3 Ų91.346%0.45544%0.438SS..Hα-helixtrans-61.8-47.2175.3-178.90000111.8E173 R175 E179 L180 L181E173-S177 WeakPolarHBondContact O-CB 3.26Å; E173-S177 PolarHBondContact O-N 3.01Å; R175-S177 VanDerWaalsContact C-N 3.3Å; R175-S177 PolarHBondContact O-N 2.98Å; S177-E179 VanDerWaalsContact C-N 3.35Å; S177-E179 PolarHBondContact O-N 3.25Å; S177-L180 PolarHBondContact O-N 3.08Å; S177-L181 WeakPolarHBondContact O-CG 3.39Å; S177-L181 PolarHBondContact O-N 2.87Å
178K85.5Confident89.4Confident101 Ų10191.3 Ų91.344%0.43944%0.438SS..Hα-helixtrans-60.2-43.4176.8-175.3178.8178.7-178.80111.9E174 R175 L181 Q182 E238E174-K178 WeakPolarHBondContact O-CB 3.25Å; E174-K178 PolarHBondContact O-N 3.39Å; R175-K178 PolarHBondContact O-N 2.84Å; K178-L181 PolarHBondContact O-N 2.98Å; K178-Q182 WeakPolarHBondContact O-CG 3.35Å; K178-Q182 PolarHBondContact O-N 2.8Å; K178-E238 IonicContact NZ-OE1 3.55Å
179E86.5Confident89.3Confident80 Ų8096.4 Ų96.437%0.37446%0.462SS..Hα-helixtrans-62.8-46.3177.7-177.5171.8-171.300111.6R175 Q176 S177 L181 Q182 L183R175-E179 IonicContact NH1-OE2 2.87Å; R175-E179 PolarHBondContact NH1-OE2 2.76Å; R175-E179 PolarHBondContact O-N 2.94Å; Q176-E179 PolarHBondContact O-N 3.44Å; S177-E179 VanDerWaalsContact C-N 3.35Å; S177-E179 PolarHBondContact O-N 3.25Å; E179-L181 VanDerWaalsContact C-N 3.34Å; E179-L181 PolarHBondContact O-N 2.88Å; E179-Q182 PolarHBondContact O-N 3.35Å; E179-L183 WeakPolarHBondContact O-CG 3.39Å; E179-L183 PolarHBondContact O-N 2.94Å
180L90.1Very high88.9Confident118 Ų11895.8 Ų95.862%0.61846%0.459SS*.Hα-helixtrans-59.2-44.5176.1177.362.1000111.9Q176 S177 Q182 L183 Y184Q176-L180 WeakPolarHBondContact O-CB 3.19Å; Q176-L180 PolarHBondContact O-N 3.02Å; S177-L180 PolarHBondContact O-N 3.08Å; L180-Q182 VanDerWaalsContact C-N 3.35Å; L180-Q182 PolarHBondContact O-N 2.98Å; L180-L183 PolarHBondContact O-N 2.82Å; L180-Y184 PolarHBondContact O-N 2.64Å
181L89.8Confident88.4Confident103 Ų10393.4 Ų93.454%0.53946%0.455SS..Hα-helixtrans-63.6-39.5177.3-71.1173.6000112.1S177 K178 E179 Y184 L185S177-L181 WeakPolarHBondContact O-CG 3.39Å; S177-L181 PolarHBondContact O-N 2.87Å; K178-L181 PolarHBondContact O-N 2.98Å; E179-L181 VanDerWaalsContact C-N 3.34Å; E179-L181 PolarHBondContact O-N 2.88Å; L181-Y184 PolarHBondContact O-N 2.92Å; L181-L185 WeakPolarHBondContact O-CG 3.38Å; L181-L185 PolarHBondContact O-N 3.25Å
182Q86.1Confident87.6Confident115 Ų11592.2 Ų92.254%0.53747%0.466SS..Hα-helixtrans-63.8-42174.9-75.4179.5-800112K178 E179 L180 Y184 L185 K186K178-Q182 WeakPolarHBondContact O-CG 3.35Å; K178-Q182 PolarHBondContact O-N 2.8Å; E179-Q182 PolarHBondContact O-N 3.35Å; L180-Q182 VanDerWaalsContact C-N 3.35Å; L180-Q182 PolarHBondContact O-N 2.98Å; Q182-Y184 VanDerWaalsContact C-N 3.33Å; Q182-L185 PolarHBondContact O-N 3.5Å; Q182-K186 WeakPolarHBondContact O-CB 3.38Å; Q182-K186 PolarHBondContact O-N 3.1Å
183L89.1Confident86.7Confident103 Ų10398.4 Ų98.454%0.53949%0.487SS..Hα-helixtrans-62.8-41.2175-70.1175.5000111.5E179 L180 K186 A187E179-L183 WeakPolarHBondContact O-CG 3.39Å; E179-L183 PolarHBondContact O-N 2.94Å; L180-L183 PolarHBondContact O-N 2.82Å; L183-K186 PolarHBondContact O-N 3.26Å; L183-A187 WeakPolarHBondContact O-CB 3.35Å; L183-A187 PolarHBondContact O-N 3.44Å
184Y92.2Very high85.2Confident153 Ų15399.2 Ų99.260%0.649%0.491SS*.Hα-helixtrans-62.4-49175.2178.6-98000112L180 L181 Q182 K186 A187 V188L180-Y184 PolarHBondContact O-N 2.64Å; L181-Y184 PolarHBondContact O-N 2.92Å; Q182-Y184 VanDerWaalsContact C-N 3.33Å; Y184-K186 VanDerWaalsContact C-N 3.31Å; Y184-K186 PolarHBondContact O-N 3.18Å; Y184-A187 WeakPolarHBondContact O-CB 3.35Å; Y184-A187 PolarHBondContact O-N 2.84Å; Y184-A187 VanDerWaalsContact O-N 3.12Å; Y184-V188 HydrophobicContact CD1-CG2 4.07Å; Y184-V188 HydrophobicContact CD2-CG2 4.42Å; Y184-V188 HydrophobicContact CE1-CG2 3.61Å; Y184-V188 HydrophobicContact CE2-CG2 4.01Å; Y184-V188 HydrophobicContact CG-CG2 4.45Å; Y184-V188 WeakPolarHBondContact O-CG2 3.47Å; Y184-V188 PolarHBondContact O-N 3.49Å
185L90.2Very high83.7Confident104 Ų104102.2 Ų102.255%0.54551%0.505SS..Hα-helixtrans-58.5-44.2177.1-72172.2000111.5L181 Q182 A187 V188 E189L181-L185 WeakPolarHBondContact O-CG 3.38Å; L181-L185 PolarHBondContact O-N 3.25Å; Q182-L185 PolarHBondContact O-N 3.5Å; L185-A187 VanDerWaalsContact C-N 3.34Å; L185-A187 PolarHBondContact O-N 2.86Å; L185-V188 PolarHBondContact O-N 3.12Å; L185-E189 WeakPolarHBondContact O-CG 3.3Å; L185-E189 PolarHBondContact O-N 2.95Å
186K90.6Very high82Confident132 Ų132103.7 Ų103.757%0.57453%0.531SS*.Hα-helixtrans-62.6-40.3176-171.6176.8-177.5177.90111.9Q182 L183 Y184 N190Q182-K186 WeakPolarHBondContact O-CB 3.38Å; Q182-K186 PolarHBondContact O-N 3.1Å; L183-K186 PolarHBondContact O-N 3.26Å; Y184-K186 VanDerWaalsContact C-N 3.31Å; Y184-K186 PolarHBondContact O-N 3.18Å; K186-N190 WeakPolarHBondContact O-CB 3.39Å; K186-N190 PolarHBondContact O-N 2.8Å; K186-N190 PolarHBondContact O-ND2 3.43Å
187A93.3Very high80.3Confident43 Ų43102.2 Ų102.236%0.35554%0.537SS..Hα-helixtrans-63.5-46.5175.300000111.3L183 Y184 L185 E189 N190 E191L183-A187 WeakPolarHBondContact O-CB 3.35Å; L183-A187 PolarHBondContact O-N 3.44Å; Y184-A187 WeakPolarHBondContact O-CB 3.35Å; Y184-A187 PolarHBondContact O-N 2.84Å; Y184-A187 VanDerWaalsContact O-N 3.12Å; L185-A187 VanDerWaalsContact C-N 3.34Å; L185-A187 PolarHBondContact O-N 2.86Å; A187-E189 PolarHBondContact O-N 3Å; A187-N190 WeakPolarHBondContact O-CB 3.45Å; A187-N190 PolarHBondContact O-N 2.98Å; A187-N190 VanDerWaalsContact O-N 3.13Å; A187-E191 WeakPolarHBondContact O-CG 3.45Å; A187-E191 PolarHBondContact O-N 2.92Å
188V92.4Very high78.1Confident60 Ų60105.6 Ų105.636%0.36456%0.555SS.*Hα-helixtrans-60.7-43.3177.1171.30000111.8Y184 L185 N190 E191 G192Y184-V188 HydrophobicContact CD1-CG2 4.07Å; Y184-V188 HydrophobicContact CD2-CG2 4.42Å; Y184-V188 HydrophobicContact CE1-CG2 3.61Å; Y184-V188 HydrophobicContact CE2-CG2 4.01Å; Y184-V188 HydrophobicContact CG-CG2 4.45Å; Y184-V188 WeakPolarHBondContact O-CG2 3.47Å; Y184-V188 PolarHBondContact O-N 3.49Å; L185-V188 PolarHBondContact O-N 3.12Å; V188-N190 VanDerWaalsContact C-N 3.3Å; V188-N190 PolarHBondContact O-N 3.43Å; V188-E191 PolarHBondContact O-N 3.43Å; V188-G192 PolarHBondContact O-N 3.27Å
189E89.5Confident75.9Confident114 Ų114106.1 Ų106.153%0.53357%0.571SS.*Hα-helixtrans-61.2-39.5174.8-75.1176.7-169.700112.2L185 A187 G192 R193L185-E189 WeakPolarHBondContact O-CG 3.3Å; L185-E189 PolarHBondContact O-N 2.95Å; A187-E189 PolarHBondContact O-N 3Å; E189-G192 PolarHBondContact O-N 3.47Å; E189-R193 WeakPolarHBondContact O-CG 3.46Å; E189-R193 PolarHBondContact O-N 3.26Å; E189-R193 VanDerWaalsContact O-N 3.08Å
190N85.9Confident73.8Confident65 Ų65108.6 Ų108.635%0.34859%0.594SS.*Hα-helixtrans-70.1-39.3177.7-67.8-26.3000111.8K186 A187 V188 R193 Q194K186-N190 WeakPolarHBondContact O-CB 3.39Å; K186-N190 PolarHBondContact O-N 2.8Å; K186-N190 PolarHBondContact O-ND2 3.43Å; A187-N190 WeakPolarHBondContact O-CB 3.45Å; A187-N190 PolarHBondContact O-N 2.98Å; A187-N190 VanDerWaalsContact O-N 3.13Å; V188-N190 VanDerWaalsContact C-N 3.3Å; V188-N190 PolarHBondContact O-N 3.43Å; N190-R193 PolarHBondContact O-N 3.27Å; N190-Q194 WeakPolarHBondContact O-CB 3.4Å; N190-Q194 VanDerWaalsContact O-CG 3.28Å; N190-Q194 WeakPolarHBondContact O-CG 3.36Å; N190-Q194 PolarHBondContact O-N 3.39Å
191E80.9Confident71.2Confident112 Ų112108.8 Ų108.852%0.52361%0.605SS.*Hα-helixtrans-62.6-41.6173.8-74.1178.8177.800111.6A187 V188 R193 Q194 Q195A187-E191 WeakPolarHBondContact O-CG 3.45Å; A187-E191 PolarHBondContact O-N 2.92Å; V188-E191 PolarHBondContact O-N 3.43Å; E191-R193 VanDerWaalsContact C-N 3.33Å; E191-R193 PolarHBondContact O-N 3.42Å; E191-Q194 PolarHBondContact O-N 3.27Å; E191-Q195 PolarHBondContact O-N 2.86Å
192G70Confident68.8Low49 Ų49109 Ų10951%0.50562%0.615SS.*Hα-helixtrans-62.7-36173.900000113.3V188 E189V188-G192 PolarHBondContact O-N 3.27Å; E189-G192 PolarHBondContact O-N 3.47Å
193R70.6Confident66.5Low177 Ų177111.3 Ų111.367%0.66863%0.626SS**Hα-helixtrans-72.3-34.8173.2-71.3179.8-160.9-163.87112.8E189 N190 E191 G196E189-R193 WeakPolarHBondContact O-CG 3.46Å; E189-R193 PolarHBondContact O-N 3.26Å; E189-R193 VanDerWaalsContact O-N 3.08Å; N190-R193 PolarHBondContact O-N 3.27Å; E191-R193 VanDerWaalsContact C-N 3.33Å; E191-R193 PolarHBondContact O-N 3.42Å; R193-G196 PolarHBondContact O-N 2.92Å
194Q59.3Low63.8Low145 Ų145113 Ų11368%0.67864%0.636SS**Hα-helixtrans-70.7-31.3178.7-74.3171.222.400112.7N190 E191 G196N190-Q194 WeakPolarHBondContact O-CB 3.4Å; N190-Q194 VanDerWaalsContact O-CG 3.28Å; N190-Q194 WeakPolarHBondContact O-CG 3.36Å; N190-Q194 PolarHBondContact O-N 3.39Å; E191-Q194 PolarHBondContact O-N 3.27Å; Q194-G196 VanDerWaalsContact C-N 3.3Å; Q194-G196 PolarHBondContact O-N 3.37Å
195Q53.2Low60.9Low168 Ų168109.3 Ų109.379%0.78564%0.644SS**Hα-helixtrans-74.1-18.1173.4-73.81739.900113.7E191E191-Q195 PolarHBondContact O-N 2.86Å
196G51.6Low58.7Low67 Ų67109.9 Ų109.969%0.69166%0.664SS**THydrogen-bonded Turntrans-90.1-4.6176.400000115.3R193 Q194R193-G196 PolarHBondContact O-N 2.92Å; Q194-G196 VanDerWaalsContact C-N 3.3Å; Q194-G196 PolarHBondContact O-N 3.37Å
197A49.9Very low55.8Low73 Ų73107 Ų10760%0.60367%0.671SS**  trans-118.361.6-170.900000113.2S199A197-S199 PolarHBondContact O-N 2.87Å
198T43.9Very low53.1Low136 Ų136112.3 Ų112.383%0.83469%0.694SS**  trans-85.482.6156.327.40000109.7
199S38.1Very low50.9Low111 Ų111114.8 Ų114.878%0.77671%0.709SS**  trans-160.7130.2156.7-75.70000109.5A197A197-S199 PolarHBondContact O-N 2.87Å
200P42.7Very low48.3Very low132 Ų132116.6 Ų116.686%0.85772%0.722SS**  trans-87131.3-177.533.5-29.2000110.3
201S35.1Very low46.8Very low123 Ų123121.7 Ų121.786%0.8675%0.746SS**  trans-143.9139.4149.861.10000109.3
202S40.3Very low45.1Very low106 Ų106122.1 Ų122.174%0.74176%0.759SS**  trans-102.7165.7-158.230.80000113.1
203Q38.3Very low44.2Very low165 Ų165127.1 Ų127.177%0.77177%0.773SS**  trans71.1143.1168.9-70.5-179.7-81.800116
204D32Very low42.5Very low139 Ų139121.9 Ų121.974%0.74378%0.775SS**  cis-158145.61.4-103.2-32.8000103.6
205G31.9Very low42.1Very low74 Ų74122.3 Ų122.376%0.76378%0.781SS**  99.5104.388.100000112.3
206A43.1Very low41.7Very low117 Ų117123.2 Ų123.297%0.96779%0.785SS**  trans4142.3159.300000122.9
207G30.3Very low41Very low71 Ų71124.7 Ų124.773%0.73279%0.791SS**  trans164.285.4157.800000108.2
208D36.3Very low40.7Very low155 Ų155128.6 Ų128.683%0.82980%0.802SS**  29.7124.285-149.325.2000116.6
209V46.1Very low40.8Very low111 Ų111128 Ų12867%0.67380%0.803SS**  trans49.2112170-147.90000118.9
210D35.9Very low41Very low153 Ų153125.4 Ų125.482%0.81879%0.788SS**  -160110.2120.7-120.3-13000111.5
211M53.6Low41.4Very low171 Ų171124.1 Ų124.184%0.84278%0.782SS**  trans-86.1117.9158.9-82.9-73.6177.900106D213M211-D213 PolarHBondContact O-N 3.03Å
212P46Very low42.3Very low122 Ų122127.2 Ų127.279%0.79278%0.783SS**  trans-69.7106.5173.325.9-29.6000109.2G214P212-G214 PolarHBondContact O-N 3.43Å
213D49.5Very low43.2Very low153 Ų153123.1 Ų123.182%0.81875%0.752SS**  trans-69.297.4156.9-166.514.9000107.2M211M211-D213 PolarHBondContact O-N 3.03Å
214G36.7Very low44.7Very low67 Ų67120.8 Ų120.869%0.69174%0.742SS**  trans-11785.1-18000000109.7P212 E216P212-G214 PolarHBondContact O-N 3.43Å; G214-E216 PolarHBondContact O-N 2.8Å
215L49.8Very low46.8Very low154 Ų154119 Ų11981%0.80674%0.741SS**  trans-65.2119.5159.5-76.6157.8000109
216E44.8Very low49.1Very low187 Ų187120.9 Ų120.987%0.87473%0.725SS**  trans146.9115.6136.3-80.3-170.1-177.900111.8G214G214-E216 PolarHBondContact O-N 2.8Å
217A36.2Very low51.1Low99 Ų99115.4 Ų115.482%0.81868%0.679SS**  170.5101.9120.900000109.5S219A217-S219 PolarHBondContact O-N 2.93Å; A217-S219 VanDerWaalsContact O-N 3.17Å
218D45.2Very low53.6Low155 Ų155113.8 Ų113.883%0.82965%0.654SS**  trans-55.7112.3160.7-98.2-35.7000109.7
219S45.8Very low55.7Low124 Ų124113.6 Ų113.687%0.86765%0.65SS**SBendtrans-170.423.4152.7-81.30000115A217A217-S219 PolarHBondContact O-N 2.93Å; A217-S219 VanDerWaalsContact O-N 3.17Å
220A41.1Very low57.5Low56 Ų56109.8 Ų109.846%0.46363%0.627SS.*  trans-154.417.9177.800000117E222 R252A220-E222 VanDerWaalsContact C-N 3.32Å; A220-E222 PolarHBondContact O-N 3.09Å; A220-R252 PolarHBondContact O-NH2 3.07Å
221S50.9Low59.9Low104 Ų104102.5 Ų102.573%0.72759%0.588SS**THydrogen-bonded Turntrans-84.964.2-173.5-173.70000113.8
222E54.1Low61.3Low189 Ų18999.4 Ų99.488%0.88357%0.57SS**THydrogen-bonded Turntrans-115.29.1156.5-105.5-177.4-175.300111.6A220A220-E222 VanDerWaalsContact C-N 3.32Å; A220-E222 PolarHBondContact O-N 3.09Å
223F59.3Low62.8Low20 Ų2095 Ų959%0.08855%0.547CS..SBendtrans-89118.9175.3-160.9-79.1000108.9S225 T227 L228 L231 V249 M257F223-S225 PolarHBondContact O-N 3.3Å; F223-T227 HydrophobicContact CD1-CG2 4.41Å; F223-T227 VanDerWaalsContact CE1-CB 3.43Å; F223-T227 HydrophobicContact CE1-CG2 3.39Å; F223-T227 HydrophobicContact CE2-CG2 4.45Å; F223-T227 HydrophobicContact CZ-CG2 3.42Å; F223-T227 VanDerWaalsContact CZ-CG2 3.42Å; F223-L228 HydrophobicContact CD1-CB 4.49Å; F223-L228 HydrophobicContact CD1-CD1 4.06Å; F223-L228 HydrophobicContact CD1-CD2 3.33Å; F223-L228 HydrophobicContact CD1-CG 3.33Å; F223-L228 HydrophobicContact CE1-CB 4.4Å; F223-L228 HydrophobicContact CE1-CD2 3.21Å; F223-L228 HydrophobicContact CE1-CG 3.53Å; F223-L228 HydrophobicContact CG-CD2 4.15Å; F223-L228 HydrophobicContact CG-CG 4.35Å; F223-L228 HydrophobicContact CZ-CD2 4.03Å; F223-L231 HydrophobicContact CE1-CD1 4.13Å; F223-L231 HydrophobicContact CZ-CD1 3.66Å; F223-V249 HydrophobicContact CE2-CG2 4.07Å; F223-V249 HydrophobicContact CZ-CG2 3.78Å; F223-M257 HydrophobicContact CE2-CE 4.46Å; F223-M257 HydrophobicContact CE2-SD 4.02Å; F223-M257 HydrophobicContact CZ-CE 4.34Å; F223-M257 HydrophobicContact CZ-SD 4.47Å
224M69.5Low63.7Low115 Ų11597.2 Ų97.257%0.56755%0.549SS*.  trans-52.9128.8-175.5-70.7175.758.300111.4R226 T227 L228M224-R226 PolarHBondContact O-N 2.8Å; M224-R226 VanDerWaalsContact O-N 3.12Å; M224-T227 PolarHBondContact O-N 2.86Å; M224-L228 PolarHBondContact O-N 3.06Å
225S77.7Confident65.2Low102 Ų10295.5 Ų95.571%0.71353%0.525SS*.Hα-helixtrans-54.9-34.3-178.5-68.40000112.4F223 M229F223-S225 PolarHBondContact O-N 3.3Å; S225-M229 PolarHBondContact O-N 3.19Å; S225-M229 VanDerWaalsContact O-N 3.17Å
226R79.9Confident66.5Low113 Ų11389.1 Ų89.143%0.42649%0.494SS..Hα-helixtrans-63.7-46.6175.4-176.7178.2179.9-108.77.1112.1M224 L228 M229 V230M224-R226 PolarHBondContact O-N 2.8Å; M224-R226 VanDerWaalsContact O-N 3.12Å; R226-L228 VanDerWaalsContact C-N 3.28Å; R226-L228 PolarHBondContact O-N 2.81Å; R226-M229 WeakPolarHBondContact O-CB 3.48Å; R226-M229 PolarHBondContact O-N 3.16Å; R226-M229 VanDerWaalsContact O-N 3.14Å; R226-V230 WeakPolarHBondContact O-CG2 3.46Å; R226-V230 PolarHBondContact O-N 3.43Å
227T83.6Confident68.3Low2 Ų280.7 Ų80.71%0.01246%0.455CS..Hα-helixtrans-62.2-38.2-178-49.50000110.4F223 M224 V230 L231 L241 D245 V249F223-T227 HydrophobicContact CD1-CG2 4.41Å; F223-T227 VanDerWaalsContact CE1-CB 3.43Å; F223-T227 HydrophobicContact CE1-CG2 3.39Å; F223-T227 HydrophobicContact CE2-CG2 4.45Å; F223-T227 HydrophobicContact CZ-CG2 3.42Å; F223-T227 VanDerWaalsContact CZ-CG2 3.42Å; M224-T227 PolarHBondContact O-N 2.86Å; T227-V230 PolarHBondContact O-N 3.22Å; T227-L231 HydrophobicContact CG2-CD1 4.45Å; T227-L231 WeakPolarHBondContact O-CB 3.46Å; T227-L231 VanDerWaalsContact O-CG 3.25Å; T227-L231 WeakPolarHBondContact O-CG 3.37Å; T227-L231 PolarHBondContact O-N 3.08Å; T227-L241 HydrophobicContact CG2-CD1 4.15Å; T227-L241 HydrophobicContact CG2-CD2 3.76Å; T227-D245 HydrophobicContact CG2-CB 4.14Å; T227-D245 PolarHBondContact OG1-OD1 3.28Å; T227-V249 HydrophobicContact CG2-CG2 4.13Å
228L83.8Confident70.5Confident37 Ų3776.9 Ų76.919%0.19442%0.42CS..Hα-helixtrans-67.7-40.2174.3-66.6177.6000113F223 M224 R226 V230 L231 K232 V260 L261F223-L228 HydrophobicContact CD1-CB 4.49Å; F223-L228 HydrophobicContact CD1-CD1 4.06Å; F223-L228 HydrophobicContact CD1-CD2 3.33Å; F223-L228 HydrophobicContact CD1-CG 3.33Å; F223-L228 HydrophobicContact CE1-CB 4.4Å; F223-L228 HydrophobicContact CE1-CD2 3.21Å; F223-L228 HydrophobicContact CE1-CG 3.53Å; F223-L228 HydrophobicContact CG-CD2 4.15Å; F223-L228 HydrophobicContact CG-CG 4.35Å; F223-L228 HydrophobicContact CZ-CD2 4.03Å; M224-L228 PolarHBondContact O-N 3.06Å; R226-L228 VanDerWaalsContact C-N 3.28Å; R226-L228 PolarHBondContact O-N 2.81Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 3.09Å; L228-L231 PolarHBondContact O-N 2.66Å; L228-K232 VanDerWaalsContact O-CB 3.28Å; L228-K232 WeakPolarHBondContact O-CB 3.35Å; L228-K232 WeakPolarHBondContact O-CG 3.34Å; L228-K232 PolarHBondContact O-N 2.95Å; L228-V260 HydrophobicContact CD1-CG1 3.97Å; L228-V260 HydrophobicContact CD2-CG1 3.33Å; L228-V260 HydrophobicContact CG-CG1 4.3Å; L228-L261 HydrophobicContact CD2-CD2 4.13Å
229M80.8Confident72.2Confident152 Ų15270.8 Ų70.875%0.74939%0.388SS*.Hα-helixtrans-61.4-43177.4-171.2-176.3-6800110.7S225 R226 G233S225-M229 PolarHBondContact O-N 3.19Å; S225-M229 VanDerWaalsContact O-N 3.17Å; R226-M229 WeakPolarHBondContact O-CB 3.48Å; R226-M229 PolarHBondContact O-N 3.16Å; R226-M229 VanDerWaalsContact O-N 3.14Å; M229-G233 PolarHBondContact O-N 3.03Å
230V84.1Confident73.9Confident30 Ų3068.9 Ų68.918%0.18236%0.362CS..Hα-helixtrans-64.1-51.2175.3175.30000110.6R226 T227 L228 K232 G233 P237 R240 L241R226-V230 WeakPolarHBondContact O-CG2 3.46Å; R226-V230 PolarHBondContact O-N 3.43Å; T227-V230 PolarHBondContact O-N 3.22Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 3.09Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.49Å; V230-G233 WeakPolarHBondContact O-CA 3.3Å; V230-G233 PolarHBondContact O-N 2.98Å; V230-P237 HydrophobicContact CG1-CB 4.16Å; V230-P237 VanDerWaalsContact O-CB 3.22Å; V230-P237 WeakPolarHBondContact O-CB 3.42Å; V230-R240 HydrophobicContact CG1-CB 3.63Å; V230-L241 HydrophobicContact CB-CD2 3.92Å; V230-L241 HydrophobicContact CG1-CD2 3.7Å; V230-L241 HydrophobicContact CG1-CG 4.11Å; V230-L241 HydrophobicContact CG2-CD2 4.44Å
231L85.6Confident76Confident0 Ų066.2 Ų66.20%034%0.34CS..Hα-helixtrans-60.4-38.3-180-74-178.5000113.5F223 T227 L228 G233 P237 L241 V249 M257 L261 W263 L271F223-L231 HydrophobicContact CE1-CD1 4.13Å; F223-L231 HydrophobicContact CZ-CD1 3.66Å; T227-L231 HydrophobicContact CG2-CD1 4.45Å; T227-L231 WeakPolarHBondContact O-CB 3.46Å; T227-L231 VanDerWaalsContact O-CG 3.25Å; T227-L231 WeakPolarHBondContact O-CG 3.37Å; T227-L231 PolarHBondContact O-N 3.08Å; L228-L231 PolarHBondContact O-N 2.66Å; L231-G233 PolarHBondContact O-N 3.13Å; L231-P237 HydrophobicContact CD2-CB 4.22Å; L231-P237 HydrophobicContact CD2-CG 4.29Å; L231-L241 HydrophobicContact CD2-CD1 3.67Å; L231-L241 HydrophobicContact CG-CD1 4.17Å; L231-V249 HydrophobicContact CD1-CG1 4.18Å; L231-V249 HydrophobicContact CD1-CG2 3.81Å; L231-V249 HydrophobicContact CD2-CG2 4.46Å; L231-M257 HydrophobicContact CD1-CE 3.61Å; L231-L261 HydrophobicContact CB-CD2 4.08Å; L231-L261 HydrophobicContact CD1-CD2 4.42Å; L231-W263 WeakPolarHBondContact O-CH2 3.43Å; L231-L271 HydrophobicContact CD2-CD1 4.11Å; L231-L271 HydrophobicContact CD2-CD2 4.06Å; L231-L271 HydrophobicContact CD2-CG 4.48Å
232K83.8Confident77.6Confident106 Ų10662.2 Ų62.246%0.46131%0.312SS..THydrogen-bonded Turntrans-74.5-6.7176.6-71.6-176.7176.3-177.30113L228 V230 L261 W263L228-K232 VanDerWaalsContact O-CB 3.28Å; L228-K232 WeakPolarHBondContact O-CB 3.35Å; L228-K232 WeakPolarHBondContact O-CG 3.34Å; L228-K232 PolarHBondContact O-N 2.95Å; V230-K232 VanDerWaalsContact C-N 3.32Å; V230-K232 PolarHBondContact O-N 3.49Å; K232-L261 WeakPolarHBondContact CE-O 3.35Å; K232-L261 HydrophobicContact CG-CD2 3.91Å; K232-W263 HydrophobicContact CG-CZ2 4.32Å
233G77.4Confident79.2Confident30 Ų3053.5 Ų53.531%0.30927%0.272SS..SBendtrans-58.2157.6169.100000112.5M229 V230 L231M229-G233 PolarHBondContact O-N 3.03Å; V230-G233 WeakPolarHBondContact O-CA 3.3Å; V230-G233 PolarHBondContact O-N 2.98Å; L231-G233 PolarHBondContact O-N 3.13Å
234K67.5Low80.5Confident199 Ų19959.8 Ų59.887%0.86530%0.302SS*.SBendtrans-83.3-14-175.3-69.3176178.8173.20113.5
235T68.9Low81.4Confident31 Ų3155.1 Ų55.119%0.1928%0.279CS..SBendtrans-130.3103.9-158.459.80000110.8P237T235-P237 VanDerWaalsContact O-N 3.07Å
236S77.3Confident81.8Confident21 Ų2150.3 Ų50.315%0.14725%0.245CC..  trans30.261.9174.462.40000114.3R175 E238 T239R175-S236 WeakPolarHBondContact CG-OG 3.35Å; S236-E238 VanDerWaalsContact CA-OE2 3.24Å; S236-E238 WeakPolarHBondContact CA-OE2 3.45Å; S236-E238 VanDerWaalsContact CB-OE1 3.29Å; S236-E238 WeakPolarHBondContact CB-OE1 3.45Å; S236-E238 PolarHBondContact O-N 3.46Å; S236-E238 VanDerWaalsContact O-N 3.11Å; S236-T239 PolarHBondContact O-N 3.46Å; S236-T239 PolarHBondContact O-OG1 3.45Å; S236-T239 VanDerWaalsContact O-OG1 3.14Å
237P81.8Confident82.2Confident10 Ų1049.1 Ų49.17%0.06525%0.245CC..G310 helixtrans-63-20.7-172.129.7-39.2000113.5V230 L231 T235 T239 R240 L271V230-P237 HydrophobicContact CG1-CB 4.16Å; V230-P237 VanDerWaalsContact O-CB 3.22Å; V230-P237 WeakPolarHBondContact O-CB 3.42Å; L231-P237 HydrophobicContact CD2-CB 4.22Å; L231-P237 HydrophobicContact CD2-CG 4.29Å; T235-P237 VanDerWaalsContact O-N 3.07Å; P237-T239 PolarHBondContact O-N 3.07Å; P237-R240 PolarHBondContact O-N 2.98Å; P237-L271 HydrophobicContact CG-CD1 3.45Å; P237-L271 VanDerWaalsContact CG-CD1 3.45Å
238E82.4Confident82.4Confident19 Ų1951.1 Ų51.19%0.08926%0.261CS..G310 helixtrans-55.7-33.9177.462.9-80.7-172.200113.4K178 S236 R240 L246 A274 E278K178-E238 IonicContact NZ-OE1 3.55Å; S236-E238 VanDerWaalsContact CA-OE2 3.24Å; S236-E238 WeakPolarHBondContact CA-OE2 3.45Å; S236-E238 VanDerWaalsContact CB-OE1 3.29Å; S236-E238 WeakPolarHBondContact CB-OE1 3.45Å; S236-E238 PolarHBondContact O-N 3.46Å; S236-E238 VanDerWaalsContact O-N 3.11Å; E238-R240 VanDerWaalsContact C-N 3.34Å; E238-R240 PolarHBondContact O-N 3.19Å; E238-L246 HydrophobicContact CB-CD2 4.29Å; E238-A274 HydrophobicContact CG-CB 4.14Å; E238-E278 HydrophobicContact CB-CB 4.14Å; E238-E278 HydrophobicContact CG-CB 4.15Å
239T80.8Confident82.7Confident26 Ų2649.4 Ų49.416%0.1625%0.252CS..G310 helixtrans-77.9-22.2-176.363.10000113S236 P237 R282S236-T239 PolarHBondContact O-N 3.46Å; S236-T239 PolarHBondContact O-OG1 3.45Å; S236-T239 VanDerWaalsContact O-OG1 3.14Å; P237-T239 PolarHBondContact O-N 3.07Å; T239-R282 PolarHBondContact O-NH2 3.16Å; T239-R282 VanDerWaalsContact O-NH2 3.1Å
240R81.3Confident83.1Confident85 Ų8544.2 Ų44.232%0.32123%0.229SC..G310 helixtrans-88.1-13-174.9-71.2179176-143.2-3.6113.6S131 E132 E172 V230 P237 E238S131-R240 WeakPolarHBondContact CB-O 3.36Å; E132-R240 WeakPolarHBondContact OE2-CG 3.24Å; E132-R240 IonicContact OE2-NE 3.36Å; E172-R240 IonicContact OE2-NH2 3.87Å; V230-R240 HydrophobicContact CG1-CB 3.63Å; P237-R240 PolarHBondContact O-N 2.98Å; E238-R240 VanDerWaalsContact C-N 3.34Å; E238-R240 PolarHBondContact O-N 3.19Å
241L85.8Confident83.3Confident0 Ų047.4 Ų47.40%025%0.253CS..SBendtrans-83.7150.1-179.4-67.5-176.8000111.1T227 V230 L231 D245 L246 V249 R282T227-L241 HydrophobicContact CG2-CD1 4.15Å; T227-L241 HydrophobicContact CG2-CD2 3.76Å; V230-L241 HydrophobicContact CB-CD2 3.92Å; V230-L241 HydrophobicContact CG1-CD2 3.7Å; V230-L241 HydrophobicContact CG1-CG 4.11Å; V230-L241 HydrophobicContact CG2-CD2 4.44Å; L231-L241 HydrophobicContact CD2-CD1 3.67Å; L231-L241 HydrophobicContact CG-CD1 4.17Å; L241-D245 HydrophobicContact CB-CB 3.89Å; L241-D245 HydrophobicContact CD1-CB 4.41Å; L241-D245 HydrophobicContact CD2-CB 4.1Å; L241-D245 HydrophobicContact CG-CB 4.35Å; L241-L246 HydrophobicContact CB-CD2 4.05Å; L241-L246 HydrophobicContact CB-CG 3.85Å; L241-L246 HydrophobicContact CD1-CD2 4.08Å; L241-V249 HydrophobicContact CD1-CG2 4.04Å; L241-R282 PolarHBondContact O-NH1 3.09Å; L241-R282 PolarHBondContact O-NH2 3.39Å
242S84.8Confident83.5Confident19 Ų1951 Ų5113%0.13327%0.266CS..  trans-66.5161.8165.969.70000109.6E244 D245 L246S242-E244 PolarHBondContact O-N 3.35Å; S242-D245 PolarHBondContact N-OD2 3.3Å; S242-D245 PolarHBondContact O-N 3.47Å; S242-D245 WeakPolarHBondContact OG-CB 3.39Å; S242-D245 PolarHBondContact OG-N 3.36Å; S242-D245 PolarHBondContact OG-OD2 3.02Å; S242-L246 WeakPolarHBondContact O-CG 3.48Å; S242-L246 PolarHBondContact O-N 2.95Å
243T87.1Confident83.6Confident7 Ų747.1 Ų47.14%0.04326%0.257CS..Hα-helixtrans-63.2-32.9175.8-61.30000112.2L129 L246 Q247 L279 R282L129-T243 WeakPolarHBondContact CA-OG1 3.2Å; L129-T243 HydrophobicContact CD2-CG2 3.6Å; L129-T243 WeakPolarHBondContact CD2-OG1 3.25Å; L129-T243 PolarHBondContact O-N 3.15Å; L129-T243 VanDerWaalsContact O-N 3.12Å; L129-T243 PolarHBondContact O-OG1 3.05Å; T243-L246 PolarHBondContact O-N 3.38Å; T243-Q247 WeakPolarHBondContact O-CG 3.33Å; T243-Q247 PolarHBondContact O-N 3.16Å; T243-L279 HydrophobicContact CG2-CD1 3.58Å; T243-R282 WeakPolarHBondContact OG1-CD 3.45Å
244E85.9Confident84.2Confident152 Ų15249 Ų4971%0.7126%0.259SS*.Hα-helixtrans-66.8-45.2175.4-174.3174.2-170.200111.4S242 L246 Q247 A248S242-E244 PolarHBondContact O-N 3.35Å; E244-L246 VanDerWaalsContact C-N 3.35Å; E244-L246 PolarHBondContact O-N 2.92Å; E244-Q247 PolarHBondContact O-N 3.07Å; E244-A248 PolarHBondContact O-N 3.37Å
245D88.4Confident85.3Confident17 Ų1746.9 Ų46.99%0.09125%0.252CS..Hα-helixtrans-57.5-48.5172.8-74.8-54.5000110.7T227 L241 S242 Q247 A248 V249T227-D245 HydrophobicContact CG2-CB 4.14Å; T227-D245 PolarHBondContact OG1-OD1 3.28Å; L241-D245 HydrophobicContact CB-CB 3.89Å; L241-D245 HydrophobicContact CD1-CB 4.41Å; L241-D245 HydrophobicContact CD2-CB 4.1Å; L241-D245 HydrophobicContact CG-CB 4.35Å; S242-D245 PolarHBondContact N-OD2 3.3Å; S242-D245 PolarHBondContact O-N 3.47Å; S242-D245 WeakPolarHBondContact OG-CB 3.39Å; S242-D245 PolarHBondContact OG-N 3.36Å; S242-D245 PolarHBondContact OG-OD2 3.02Å; D245-Q247 VanDerWaalsContact C-N 3.3Å; D245-Q247 PolarHBondContact O-N 2.98Å; D245-A248 WeakPolarHBondContact O-CB 3.42Å; D245-A248 PolarHBondContact O-N 3.18Å; D245-A248 VanDerWaalsContact O-N 3.08Å; D245-V249 VanDerWaalsContact O-CG2 3.29Å; D245-V249 WeakPolarHBondContact O-CG2 3.45Å; D245-V249 PolarHBondContact O-N 2.88Å
246L87.4Confident86.2Confident0 Ų046.9 Ų46.90%026%0.256CS..Hα-helixtrans-57.1-43.2178-75.9171.5000112.1E238 L241 S242 T243 E244 V249 V250 C275 E278 L279E238-L246 HydrophobicContact CB-CD2 4.29Å; L241-L246 HydrophobicContact CB-CD2 4.05Å; L241-L246 HydrophobicContact CB-CG 3.85Å; L241-L246 HydrophobicContact CD1-CD2 4.08Å; S242-L246 WeakPolarHBondContact O-CG 3.48Å; S242-L246 PolarHBondContact O-N 2.95Å; T243-L246 PolarHBondContact O-N 3.38Å; E244-L246 VanDerWaalsContact C-N 3.35Å; E244-L246 PolarHBondContact O-N 2.92Å; L246-V249 PolarHBondContact O-N 3.47Å; L246-V250 VanDerWaalsContact O-CG2 3.3Å; L246-V250 WeakPolarHBondContact O-CG2 3.28Å; L246-V250 PolarHBondContact O-N 2.98Å; L246-C275 HydrophobicContact CD2-CB 3.88Å; L246-E278 HydrophobicContact CD1-CB 4.41Å; L246-E278 HydrophobicContact CD1-CG 3.83Å; L246-L279 HydrophobicContact CB-CB 4.38Å; L246-L279 HydrophobicContact CB-CD1 4.33Å
247Q88.4Confident86.7Confident89 Ų8945.9 Ų45.942%0.41625%0.249SC..Hα-helixtrans-62.9-42.1175-74.7174.8-12.500112T243 E244 D245 V249 V250 S251 L279T243-Q247 WeakPolarHBondContact O-CG 3.33Å; T243-Q247 PolarHBondContact O-N 3.16Å; E244-Q247 PolarHBondContact O-N 3.07Å; D245-Q247 VanDerWaalsContact C-N 3.3Å; D245-Q247 PolarHBondContact O-N 2.98Å; Q247-V249 VanDerWaalsContact C-N 3.35Å; Q247-V249 PolarHBondContact O-N 3.44Å; Q247-V250 PolarHBondContact O-N 3.43Å; Q247-S251 WeakPolarHBondContact O-CB 3.42Å; Q247-S251 PolarHBondContact O-N 2.87Å; Q247-S251 PolarHBondContact O-OG 3.23Å; Q247-L279 HydrophobicContact CG-CD1 3.75Å; Q247-L279 HydrophobicContact CG-CD2 3.74Å; Q247-L279 HydrophobicContact CG-CG 4.41Å
248A88.3Confident87.1Confident44 Ų4448.8 Ų48.836%0.36426%0.262SS..Hα-helixtrans-63.2-39.7176.300000112E244 D245 S251 R252E244-A248 PolarHBondContact O-N 3.37Å; D245-A248 WeakPolarHBondContact O-CB 3.42Å; D245-A248 PolarHBondContact O-N 3.18Å; D245-A248 VanDerWaalsContact O-N 3.08Å; A248-S251 WeakPolarHBondContact CA-OG 3.35Å; A248-S251 PolarHBondContact O-OG 3.11Å; A248-R252 WeakPolarHBondContact O-CB 3.49Å; A248-R252 PolarHBondContact O-N 2.99Å
249V88.6Confident87.3Confident0 Ų055.6 Ų55.60%029%0.294CS..Hα-helixtrans-63.9-50.7175.1-178.90000111.4F223 T227 L231 L241 D245 L246 Q247 R252 M257 L272F223-V249 HydrophobicContact CE2-CG2 4.07Å; F223-V249 HydrophobicContact CZ-CG2 3.78Å; T227-V249 HydrophobicContact CG2-CG2 4.13Å; L231-V249 HydrophobicContact CD1-CG1 4.18Å; L231-V249 HydrophobicContact CD1-CG2 3.81Å; L231-V249 HydrophobicContact CD2-CG2 4.46Å; L241-V249 HydrophobicContact CD1-CG2 4.04Å; D245-V249 VanDerWaalsContact O-CG2 3.29Å; D245-V249 WeakPolarHBondContact O-CG2 3.45Å; D245-V249 PolarHBondContact O-N 2.88Å; L246-V249 PolarHBondContact O-N 3.47Å; Q247-V249 VanDerWaalsContact C-N 3.35Å; Q247-V249 PolarHBondContact O-N 3.44Å; V249-R252 PolarHBondContact O-N 3.29Å; V249-M257 HydrophobicContact CG1-CE 3.98Å; V249-M257 HydrophobicContact CG1-SD 4.34Å; V249-L272 HydrophobicContact CG1-CD2 3.76Å
250V89.6Confident87.7Confident43 Ų4356 Ų5626%0.26130%0.296SS..Hα-helixtrans-67.4-42.1-175.6172.90000111.3L246 Q247 R252 G253 C275 E276 L279L246-V250 VanDerWaalsContact O-CG2 3.3Å; L246-V250 WeakPolarHBondContact O-CG2 3.28Å; L246-V250 PolarHBondContact O-N 2.98Å; Q247-V250 PolarHBondContact O-N 3.43Å; V250-R252 VanDerWaalsContact C-N 3.26Å; V250-R252 PolarHBondContact O-N 3.4Å; V250-G253 PolarHBondContact O-N 3.27Å; V250-C275 HydrophobicContact CG2-CB 3.97Å; V250-E276 HydrophobicContact CG2-CB 4.3Å; V250-L279 HydrophobicContact CG2-CD2 4.41Å
251S89.4Confident87.9Confident98 Ų9852.3 Ų52.369%0.68528%0.282SS*.Hα-helixtrans-66.3-25.9-179.458.30000113.8Q247 A248 G253Q247-S251 WeakPolarHBondContact O-CB 3.42Å; Q247-S251 PolarHBondContact O-N 2.87Å; Q247-S251 PolarHBondContact O-OG 3.23Å; A248-S251 WeakPolarHBondContact CA-OG 3.35Å; A248-S251 PolarHBondContact O-OG 3.11Å; S251-G253 VanDerWaalsContact C-N 3.31Å; S251-G253 PolarHBondContact O-N 2.8Å
252R87.8Confident87.9Confident74 Ų7455.4 Ų55.428%0.27932%0.315SS..Hα-helixtrans-71.7-25.8178.9-165.5158.3-178.5139.6-8112.9A220 A248 V249 V250 A256 M257A220-R252 PolarHBondContact O-NH2 3.07Å; A248-R252 WeakPolarHBondContact O-CB 3.49Å; A248-R252 PolarHBondContact O-N 2.99Å; V249-R252 PolarHBondContact O-N 3.29Å; V250-R252 VanDerWaalsContact C-N 3.26Å; V250-R252 PolarHBondContact O-N 3.4Å; R252-A256 HydrophobicContact CG-CB 3.75Å; R252-A256 WeakPolarHBondContact O-CB 3.44Å; R252-M257 HydrophobicContact CB-CG 4.26Å; R252-M257 HydrophobicContact CB-SD 4.26Å; R252-M257 HydrophobicContact CG-CG 4.4Å; R252-M257 HydrophobicContact CG-SD 4.25Å
253G87.6Confident88.2Confident26 Ų2656.5 Ų56.527%0.26832%0.316SS..  trans76171.8173.600000115.1V250 S251 M257V250-G253 PolarHBondContact O-N 3.27Å; S251-G253 VanDerWaalsContact C-N 3.31Å; S251-G253 PolarHBondContact O-N 2.8Å; G253-M257 VanDerWaalsContact O-CB 3.32Å; G253-M257 WeakPolarHBondContact O-CB 3.42Å; G253-M257 VanDerWaalsContact O-CG 3.27Å; G253-M257 WeakPolarHBondContact O-CG 3.5Å; G253-M257 PolarHBondContact O-N 2.86Å; G253-M257 VanDerWaalsContact O-N 3.11Å
254L90.3Very high88.4Confident69 Ų6960.6 Ų60.636%0.36134%0.338SS..Hα-helixtrans-62.6-50.8-168.1-175.4124.6000114.1A256 M257 Q258 A269 L272L254-A256 PolarHBondContact O-N 3.28Å; L254-M257 PolarHBondContact O-N 3.32Å; L254-Q258 WeakPolarHBondContact O-CB 3.41Å; L254-Q258 PolarHBondContact O-N 3.27Å; L254-A269 HydrophobicContact CD1-CB 3.58Å; L254-L272 VanDerWaalsContact CA-CD1 3.42Å; L254-L272 HydrophobicContact CB-CD1 3.94Å
255E89.4Confident88.7Confident154 Ų15455.5 Ų55.572%0.7232%0.321SS*.Hα-helixtrans-65.6-43.5-173-62.9179.5175.400112Q258 Q259E255-Q258 WeakPolarHBondContact O-CB 3.49Å; E255-Q258 PolarHBondContact O-N 2.92Å; E255-Q259 WeakPolarHBondContact O-CG 3.34Å; E255-Q259 PolarHBondContact O-N 3.5Å
256A88.1Confident88.8Confident32 Ų3257 Ų5726%0.26434%0.341SS..Hα-helixtrans-69.4-39.417800000111.8R252 L254 Q258 Q259 V260R252-A256 HydrophobicContact CG-CB 3.75Å; R252-A256 WeakPolarHBondContact O-CB 3.44Å; L254-A256 PolarHBondContact O-N 3.28Å; A256-Q258 VanDerWaalsContact C-N 3.31Å; A256-Q258 PolarHBondContact O-N 3.49Å; A256-Q259 PolarHBondContact O-N 3.3Å; A256-V260 VanDerWaalsContact O-CG2 3.26Å; A256-V260 WeakPolarHBondContact O-CG2 3.47Å; A256-V260 PolarHBondContact O-N 2.95Å; A256-V260 VanDerWaalsContact O-N 3.08Å
257M88.7Confident88.9Confident0 Ų062.8 Ų62.80%036%0.363CS..Hα-helixtrans-67.5-32.7175.7-74.4-58.3-57.200112.5F223 L231 V249 R252 G253 L254 V260 L261 T268 L272F223-M257 HydrophobicContact CE2-CE 4.46Å; F223-M257 HydrophobicContact CE2-SD 4.02Å; F223-M257 HydrophobicContact CZ-CE 4.34Å; F223-M257 HydrophobicContact CZ-SD 4.47Å; L231-M257 HydrophobicContact CD1-CE 3.61Å; V249-M257 HydrophobicContact CG1-CE 3.98Å; V249-M257 HydrophobicContact CG1-SD 4.34Å; R252-M257 HydrophobicContact CB-CG 4.26Å; R252-M257 HydrophobicContact CB-SD 4.26Å; R252-M257 HydrophobicContact CG-CG 4.4Å; R252-M257 HydrophobicContact CG-SD 4.25Å; G253-M257 VanDerWaalsContact O-CB 3.32Å; G253-M257 WeakPolarHBondContact O-CB 3.42Å; G253-M257 VanDerWaalsContact O-CG 3.27Å; G253-M257 WeakPolarHBondContact O-CG 3.5Å; G253-M257 PolarHBondContact O-N 2.86Å; G253-M257 VanDerWaalsContact O-N 3.11Å; L254-M257 PolarHBondContact O-N 3.32Å; M257-V260 PolarHBondContact O-N 2.98Å; M257-L261 HydrophobicContact CE-CD1 3.63Å; M257-L261 HydrophobicContact CE-CD2 4.3Å; M257-L261 HydrophobicContact CE-CG 3.86Å; M257-L261 VanDerWaalsContact O-CB 3.31Å; M257-L261 WeakPolarHBondContact O-CB 3.47Å; M257-L261 WeakPolarHBondContact O-CG 3.37Å; M257-L261 PolarHBondContact O-N 2.64Å; M257-T268 HydrophobicContact CB-CG2 3.83Å; M257-L272 HydrophobicContact CB-CD1 4.48Å; M257-L272 HydrophobicContact CG-CD2 4.18Å
258Q90.2Very high89.1Confident71 Ų7158.5 Ų58.533%0.33234%0.343SS..Hα-helixtrans-62-44.8175.1-167.9-174.9-34.400111L254 E255 A256 G262 W263 T268L254-Q258 WeakPolarHBondContact O-CB 3.41Å; L254-Q258 PolarHBondContact O-N 3.27Å; E255-Q258 WeakPolarHBondContact O-CB 3.49Å; E255-Q258 PolarHBondContact O-N 2.92Å; A256-Q258 VanDerWaalsContact C-N 3.31Å; A256-Q258 PolarHBondContact O-N 3.49Å; Q258-G262 WeakPolarHBondContact O-CA 3.25Å; Q258-G262 PolarHBondContact O-N 3.05Å; Q258-W263 WeakPolarHBondContact CG-O 3.35Å; Q258-W263 PolarHBondContact O-N 3.42Å; Q258-T268 HydrophobicContact CB-CG2 4.31Å
259Q86.6Confident89.3Confident162 Ų16258.2 Ų58.276%0.75734%0.341SS*.Hα-helixtrans-64-44.8176.9-68.2174.77.100111.9E255 A256E255-Q259 WeakPolarHBondContact O-CG 3.34Å; E255-Q259 PolarHBondContact O-N 3.5Å; A256-Q259 PolarHBondContact O-N 3.3Å
260V87.8Confident89.4Confident34 Ų3461 Ų6121%0.20636%0.363CS..Hα-helixtrans-70.3-38.6-176.8171.90000112.4L228 A256 M257L228-V260 HydrophobicContact CD1-CG1 3.97Å; L228-V260 HydrophobicContact CD2-CG1 3.33Å; L228-V260 HydrophobicContact CG-CG1 4.3Å; A256-V260 VanDerWaalsContact O-CG2 3.26Å; A256-V260 WeakPolarHBondContact O-CG2 3.47Å; A256-V260 PolarHBondContact O-N 2.95Å; A256-V260 VanDerWaalsContact O-N 3.08Å; M257-V260 PolarHBondContact O-N 2.98Å
261L85.6Confident89.4Confident7 Ų759.6 Ų59.64%0.03735%0.354CS..Hα-helixtrans-83.8-23.2-179.7-65.5173.3000112.8L228 L231 K232 M257 W263 L271L228-L261 HydrophobicContact CD2-CD2 4.13Å; L231-L261 HydrophobicContact CB-CD2 4.08Å; L231-L261 HydrophobicContact CD1-CD2 4.42Å; K232-L261 WeakPolarHBondContact CE-O 3.35Å; K232-L261 HydrophobicContact CG-CD2 3.91Å; M257-L261 HydrophobicContact CE-CD1 3.63Å; M257-L261 HydrophobicContact CE-CD2 4.3Å; M257-L261 HydrophobicContact CE-CG 3.86Å; M257-L261 VanDerWaalsContact O-CB 3.31Å; M257-L261 WeakPolarHBondContact O-CB 3.47Å; M257-L261 WeakPolarHBondContact O-CG 3.37Å; M257-L261 PolarHBondContact O-N 2.64Å; L261-W263 VanDerWaalsContact C-N 3.28Å; L261-W263 HydrophobicContact CB-CB 4.31Å; L261-W263 HydrophobicContact CB-CD2 3.91Å; L261-W263 HydrophobicContact CB-CE3 4.3Å; L261-W263 HydrophobicContact CB-CG 3.93Å; L261-W263 HydrophobicContact CD1-CD2 4.27Å; L261-W263 HydrophobicContact CD1-CE3 3.8Å; L261-W263 HydrophobicContact CD1-CZ3 4.04Å; L261-W263 VanDerWaalsContact O-CD1 3.31Å; L261-L271 HydrophobicContact CD1-CD2 3.5Å
262G86.6Confident89.6Confident66 Ų6655.9 Ų55.968%0.6833%0.327SS*.THydrogen-bonded Turntrans67.629.2-173.300000112.5Q258Q258-G262 WeakPolarHBondContact O-CA 3.25Å; Q258-G262 PolarHBondContact O-N 3.05Å
263W90.4Very high89.9Confident41 Ų4159 Ų5916%0.15534%0.344CS..  trans-102.9167.5-177.7-68.9-3.3000111.7L231 K232 Q258 L261 R267 T268 L271L231-W263 WeakPolarHBondContact O-CH2 3.43Å; K232-W263 HydrophobicContact CG-CZ2 4.32Å; Q258-W263 WeakPolarHBondContact CG-O 3.35Å; Q258-W263 PolarHBondContact O-N 3.42Å; L261-W263 VanDerWaalsContact C-N 3.28Å; L261-W263 HydrophobicContact CB-CB 4.31Å; L261-W263 HydrophobicContact CB-CD2 3.91Å; L261-W263 HydrophobicContact CB-CE3 4.3Å; L261-W263 HydrophobicContact CB-CG 3.93Å; L261-W263 HydrophobicContact CD1-CD2 4.27Å; L261-W263 HydrophobicContact CD1-CE3 3.8Å; L261-W263 HydrophobicContact CD1-CZ3 4.04Å; L261-W263 VanDerWaalsContact O-CD1 3.31Å; W263-R267 HydrophobicContact CD2-CG 4.18Å; W263-R267 VanDerWaalsContact CE2-CZ 3.41Å; W263-R267 HydrophobicContact CE3-CG 3.73Å; W263-R267 HydrophobicContact CZ3-CG 4.23Å; W263-T268 WeakPolarHBondContact CB-OG1 3.46Å; W263-L271 HydrophobicContact CE3-CD2 4.32Å; W263-L271 HydrophobicContact CH2-CD2 4.35Å; W263-L271 HydrophobicContact CZ3-CB 4.31Å; W263-L271 HydrophobicContact CZ3-CD2 3.61Å; W263-L271 HydrophobicContact CZ3-CG 4.42Å
264D92.1Very high90.1Very high94 Ų9459.1 Ų59.150%0.50334%0.343SS..  trans-73.5161.6170.868.693000111.6G266 R267 T268D264-G266 VanDerWaalsContact C-N 3.3Å; D264-G266 PolarHBondContact O-N 3.21Å; D264-G266 WeakPolarHBondContact OD1-CA 3.31Å; D264-G266 PolarHBondContact OD1-N 2.88Å; D264-R267 PolarHBondContact O-N 3.38Å; D264-R267 PolarHBondContact OD1-N 3.31Å; D264-R267 WeakPolarHBondContact OD2-CB 3.41Å; D264-T268 WeakPolarHBondContact O-CB 3.37Å; D264-T268 PolarHBondContact O-N 2.95Å; D264-T268 PolarHBondContact O-OG1 2.8Å
265A91.6Very high90.2Very high45 Ų4555.8 Ų55.837%0.37233%0.326SS..Hα-helixtrans-61.6-35.7-177.900000112.8A269A265-A269 WeakPolarHBondContact O-CB 3.43Å; A265-A269 PolarHBondContact O-N 3.1Å
266G90.9Very high90.4Very high49 Ų4954 Ų5451%0.50532%0.317SS..Hα-helixtrans-69.8-47.1-178.800000112.1D264 A269 A270D264-G266 VanDerWaalsContact C-N 3.3Å; D264-G266 PolarHBondContact O-N 3.21Å; D264-G266 WeakPolarHBondContact OD1-CA 3.31Å; D264-G266 PolarHBondContact OD1-N 2.88Å; G266-A269 PolarHBondContact O-N 2.73Å; G266-A270 PolarHBondContact O-N 2.89Å
267R89.3Confident90.6Very high120 Ų12055 Ų5545%0.45333%0.325SS..Hα-helixtrans-63.1-42.3175-175.6-179.6176.7178.80.2112W263 D264 A270 L271W263-R267 HydrophobicContact CD2-CG 4.18Å; W263-R267 VanDerWaalsContact CE2-CZ 3.41Å; W263-R267 HydrophobicContact CE3-CG 3.73Å; W263-R267 HydrophobicContact CZ3-CG 4.23Å; D264-R267 PolarHBondContact O-N 3.38Å; D264-R267 PolarHBondContact OD1-N 3.31Å; D264-R267 WeakPolarHBondContact OD2-CB 3.41Å; R267-A270 PolarHBondContact O-N 3.2Å; R267-L271 PolarHBondContact O-N 3.3Å; R267-L271 VanDerWaalsContact O-N 3.1Å
268T91.4Very high90.7Very high0 Ų056.6 Ų56.60%033%0.333CS..Hα-helixtrans-66.1-40.4177.8-52.20000111.3M257 Q258 W263 D264 L271 L272M257-T268 HydrophobicContact CB-CG2 3.83Å; Q258-T268 HydrophobicContact CB-CG2 4.31Å; W263-T268 WeakPolarHBondContact CB-OG1 3.46Å; D264-T268 WeakPolarHBondContact O-CB 3.37Å; D264-T268 PolarHBondContact O-N 2.95Å; D264-T268 PolarHBondContact O-OG1 2.8Å; T268-L271 PolarHBondContact O-N 2.73Å; T268-L272 HydrophobicContact CG2-CD1 4.49Å; T268-L272 PolarHBondContact O-N 3.44Å
269A92.5Very high90.8Very high38 Ų3854.1 Ų54.131%0.31432%0.321SS..Hα-helixtrans-60-47.6174.400000112.1L254 A265 G266 L271 L272 Q273L254-A269 HydrophobicContact CD1-CB 3.58Å; A265-A269 WeakPolarHBondContact O-CB 3.43Å; A265-A269 PolarHBondContact O-N 3.1Å; G266-A269 PolarHBondContact O-N 2.73Å; A269-L271 VanDerWaalsContact C-N 3.31Å; A269-L271 PolarHBondContact O-N 2.94Å; A269-L272 PolarHBondContact O-N 3.18Å; A269-Q273 WeakPolarHBondContact O-CB 3.43Å; A269-Q273 PolarHBondContact O-N 3.17Å
270A90.9Very high91.1Very high58 Ų5849.4 Ų49.448%0.47931%0.306SS..Hα-helixtrans-61.1-40.4179.200000112G266 R267 A274G266-A270 PolarHBondContact O-N 2.89Å; R267-A270 PolarHBondContact O-N 3.2Å; A270-A274 PolarHBondContact O-N 2.77Å
271L91Very high91.3Very high13 Ų1350.7 Ų50.77%0.06831%0.314CS..Hα-helixtrans-62.7-48.8174.7174.367.5000111.7L231 P237 L261 W263 R267 T268 A269 Q273 A274 C275L231-L271 HydrophobicContact CD2-CD1 4.11Å; L231-L271 HydrophobicContact CD2-CD2 4.06Å; L231-L271 HydrophobicContact CD2-CG 4.48Å; P237-L271 HydrophobicContact CG-CD1 3.45Å; P237-L271 VanDerWaalsContact CG-CD1 3.45Å; L261-L271 HydrophobicContact CD1-CD2 3.5Å; W263-L271 HydrophobicContact CE3-CD2 4.32Å; W263-L271 HydrophobicContact CH2-CD2 4.35Å; W263-L271 HydrophobicContact CZ3-CB 4.31Å; W263-L271 HydrophobicContact CZ3-CD2 3.61Å; W263-L271 HydrophobicContact CZ3-CG 4.42Å; R267-L271 PolarHBondContact O-N 3.3Å; R267-L271 VanDerWaalsContact O-N 3.1Å; T268-L271 PolarHBondContact O-N 2.73Å; A269-L271 VanDerWaalsContact C-N 3.31Å; A269-L271 PolarHBondContact O-N 2.94Å; L271-Q273 VanDerWaalsContact C-N 3.32Å; L271-Q273 PolarHBondContact O-N 3.42Å; L271-A274 WeakPolarHBondContact O-CB 3.38Å; L271-A274 PolarHBondContact O-N 3.02Å; L271-C275 PolarHBondContact O-N 2.88Å; L271-C275 PolarHBondContact O-SG 3.25Å
272L92.9Very high91.6Very high20 Ų2050.5 Ų50.511%0.10531%0.313CS..Hα-helixtrans-62.1-41.2-179.6-78.1179.4000112V249 L254 M257 T268 A269 A274 C275 E276V249-L272 HydrophobicContact CG1-CD2 3.76Å; L254-L272 VanDerWaalsContact CA-CD1 3.42Å; L254-L272 HydrophobicContact CB-CD1 3.94Å; M257-L272 HydrophobicContact CB-CD1 4.48Å; M257-L272 HydrophobicContact CG-CD2 4.18Å; T268-L272 HydrophobicContact CG2-CD1 4.49Å; T268-L272 PolarHBondContact O-N 3.44Å; A269-L272 PolarHBondContact O-N 3.18Å; L272-A274 VanDerWaalsContact C-N 3.32Å; L272-A274 PolarHBondContact O-N 3.48Å; L272-C275 PolarHBondContact O-N 3.32Å; L272-E276 WeakPolarHBondContact O-CB 3.45Å; L272-E276 PolarHBondContact O-N 3.04Å
273Q94.3Very high91.7Very high140 Ų14051.1 Ų51.165%0.65430%0.301SS*.Hα-helixtrans-61.5-41.2175-172.5-175.4-4.800111.6A269 L271 E276 A277A269-Q273 WeakPolarHBondContact O-CB 3.43Å; A269-Q273 PolarHBondContact O-N 3.17Å; L271-Q273 VanDerWaalsContact C-N 3.32Å; L271-Q273 PolarHBondContact O-N 3.42Å; Q273-E276 PolarHBondContact O-N 3.21Å; Q273-A277 WeakPolarHBondContact O-CB 3.47Å; Q273-A277 PolarHBondContact O-N 2.88Å
274A91.3Very high91.8Very high28 Ų2855.7 Ų55.723%0.23132%0.323CS..Hα-helixtrans-65-42.1175.700000111.9E238 A270 L271 L272 A277 E278E238-A274 HydrophobicContact CG-CB 4.14Å; A270-A274 PolarHBondContact O-N 2.77Å; L271-A274 WeakPolarHBondContact O-CB 3.38Å; L271-A274 PolarHBondContact O-N 3.02Å; L272-A274 VanDerWaalsContact C-N 3.32Å; L272-A274 PolarHBondContact O-N 3.48Å; A274-A277 PolarHBondContact O-N 3.18Å; A274-E278 PolarHBondContact O-N 2.93Å
275C92.1Very high91.7Very high0 Ų055.3 Ų55.30%032%0.319CS..Hα-helixtrans-63-41.6175.9-650000112.2L246 V250 L271 L272 L279L246-C275 HydrophobicContact CD2-CB 3.88Å; V250-C275 HydrophobicContact CG2-CB 3.97Å; L271-C275 PolarHBondContact O-N 2.88Å; L271-C275 PolarHBondContact O-SG 3.25Å; L272-C275 PolarHBondContact O-N 3.32Å; C275-L279 VanDerWaalsContact O-CB 3.25Å; C275-L279 WeakPolarHBondContact O-CB 3.43Å; C275-L279 PolarHBondContact O-N 3.49Å
276E93.9Very high91.6Very high117 Ų11754.1 Ų54.155%0.54731%0.306SS..Hα-helixtrans-66.5-40176.4-173.2177-167.600112V250 L272 Q273 L279 S280V250-E276 HydrophobicContact CG2-CB 4.3Å; L272-E276 WeakPolarHBondContact O-CB 3.45Å; L272-E276 PolarHBondContact O-N 3.04Å; Q273-E276 PolarHBondContact O-N 3.21Å; E276-L279 PolarHBondContact O-N 2.94Å; E276-S280 WeakPolarHBondContact O-CB 3.43Å; E276-S280 PolarHBondContact O-N 2.77Å; E276-S280 PolarHBondContact O-OG 3.25Å
277A92.9Very high91.5Very high52 Ų5258 Ų5843%0.4331%0.311SS..Hα-helixtrans-64.1-43.9175.800000112.3Q273 A274 S280 T281Q273-A277 WeakPolarHBondContact O-CB 3.47Å; Q273-A277 PolarHBondContact O-N 2.88Å; A274-A277 PolarHBondContact O-N 3.18Å; A277-S280 WeakPolarHBondContact CA-OG 3.46Å; A277-S280 PolarHBondContact O-OG 3.4Å; A277-T281 WeakPolarHBondContact O-CB 3.48Å; A277-T281 PolarHBondContact O-N 3.42Å; A277-T281 VanDerWaalsContact O-N 3.1Å; A277-T281 PolarHBondContact O-OG1 3.3Å
278E91Very high91.5Very high34 Ų3454.7 Ų54.716%0.15931%0.309CS..Hα-helixtrans-65-45.4175179.764.9-168.300111.2R171 E238 L246 A274 S280 T281 R282R171-E278 IonicContact NH1-OE1 3.91Å; E238-E278 HydrophobicContact CB-CB 4.14Å; E238-E278 HydrophobicContact CG-CB 4.15Å; L246-E278 HydrophobicContact CD1-CB 4.41Å; L246-E278 HydrophobicContact CD1-CG 3.83Å; A274-E278 PolarHBondContact O-N 2.93Å; E278-S280 PolarHBondContact O-N 2.85Å; E278-T281 WeakPolarHBondContact O-CB 3.24Å; E278-T281 PolarHBondContact O-N 3.23Å; E278-R282 WeakPolarHBondContact O-CG 3.42Å; E278-R282 PolarHBondContact O-N 3.03Å; E278-R282 IonicContact OE1-CZ 2.73Å; E278-R282 IonicContact OE1-NE 3.71Å; E278-R282 PolarHBondContact OE1-NE 3.43Å; E278-R282 IonicContact OE1-NH2 3.95Å; E278-R282 PolarHBondContact OE1-NH2 3.34Å
279L92.4Very high91.2Very high18 Ų1858.3 Ų58.39%0.09433%0.327CS..Hα-helixtrans-59.8-47.7178.8177.860.4000112T243 L246 Q247 V250 C275 E276 T281 R282 L283T243-L279 HydrophobicContact CG2-CD1 3.58Å; L246-L279 HydrophobicContact CB-CB 4.38Å; L246-L279 HydrophobicContact CB-CD1 4.33Å; Q247-L279 HydrophobicContact CG-CD1 3.75Å; Q247-L279 HydrophobicContact CG-CD2 3.74Å; Q247-L279 HydrophobicContact CG-CG 4.41Å; V250-L279 HydrophobicContact CG2-CD2 4.41Å; C275-L279 VanDerWaalsContact O-CB 3.25Å; C275-L279 WeakPolarHBondContact O-CB 3.43Å; C275-L279 PolarHBondContact O-N 3.49Å; E276-L279 PolarHBondContact O-N 2.94Å; L279-T281 VanDerWaalsContact C-N 3.31Å; L279-T281 PolarHBondContact O-N 3.36Å; L279-R282 PolarHBondContact O-N 3.41Å; L279-L283 HydrophobicContact CD1-CD1 4.17Å; L279-L283 HydrophobicContact CD1-CG 4.23Å; L279-L283 HydrophobicContact CG-CD1 4.13Å; L279-L283 WeakPolarHBondContact O-CG 3.46Å; L279-L283 PolarHBondContact O-N 2.85Å
280S93.1Very high90.9Very high63 Ų6361.9 Ų61.944%0.44134%0.337SS..Hα-helixtrans-61.8-39.4177.8560000112.1E276 A277 E278 L283 Q284E276-S280 WeakPolarHBondContact O-CB 3.43Å; E276-S280 PolarHBondContact O-N 2.77Å; E276-S280 PolarHBondContact O-OG 3.25Å; A277-S280 WeakPolarHBondContact CA-OG 3.46Å; A277-S280 PolarHBondContact O-OG 3.4Å; E278-S280 PolarHBondContact O-N 2.85Å; S280-L283 PolarHBondContact O-N 3.33Å; S280-Q284 WeakPolarHBondContact O-CB 3.49Å; S280-Q284 PolarHBondContact O-N 3.26Å
281T91.3Very high90.7Very high61 Ų6162.5 Ų62.537%0.37434%0.338SS..Hα-helixtrans-60.4-47.8174.7-58.80000111.5A277 E278 L279 Q284 Q285A277-T281 WeakPolarHBondContact O-CB 3.48Å; A277-T281 PolarHBondContact O-N 3.42Å; A277-T281 VanDerWaalsContact O-N 3.1Å; A277-T281 PolarHBondContact O-OG1 3.3Å; E278-T281 WeakPolarHBondContact O-CB 3.24Å; E278-T281 PolarHBondContact O-N 3.23Å; L279-T281 VanDerWaalsContact C-N 3.31Å; L279-T281 PolarHBondContact O-N 3.36Å; T281-Q284 PolarHBondContact O-N 3.31Å; T281-Q285 WeakPolarHBondContact O-CG 3.28Å; T281-Q285 PolarHBondContact O-N 3.41Å
282R91.1Very high90.3Very high4 Ų467 Ų672%0.01536%0.361CS..Hα-helixtrans-62.4-44.9178.3-69.4-176.6-171.2-169.74.5112.1I128 T239 L241 T243 E278 L279 Q284 Q285 I286I128-R282 HydrophobicContact CG2-CB 4.03Å; I128-R282 HydrophobicContact CG2-CG 4.19Å; T239-R282 PolarHBondContact O-NH2 3.16Å; T239-R282 VanDerWaalsContact O-NH2 3.1Å; L241-R282 PolarHBondContact O-NH1 3.09Å; L241-R282 PolarHBondContact O-NH2 3.39Å; T243-R282 WeakPolarHBondContact OG1-CD 3.45Å; E278-R282 WeakPolarHBondContact O-CG 3.42Å; E278-R282 PolarHBondContact O-N 3.03Å; E278-R282 IonicContact OE1-CZ 2.73Å; E278-R282 IonicContact OE1-NE 3.71Å; E278-R282 PolarHBondContact OE1-NE 3.43Å; E278-R282 IonicContact OE1-NH2 3.95Å; E278-R282 PolarHBondContact OE1-NH2 3.34Å; L279-R282 PolarHBondContact O-N 3.41Å; R282-Q284 VanDerWaalsContact C-N 3.35Å; R282-Q284 PolarHBondContact O-N 3.1Å; R282-Q285 PolarHBondContact O-N 2.96Å; R282-I286 WeakPolarHBondContact O-CG1 3.35Å; R282-I286 PolarHBondContact O-N 3.22Å
283L89.9Confident89.6Confident79 Ų7969 Ų6941%0.41438%0.376SS..Hα-helixtrans-63.4-40.6178.3-69.1176.3000112L279 S280 I286 Q287L279-L283 HydrophobicContact CD1-CD1 4.17Å; L279-L283 HydrophobicContact CD1-CG 4.23Å; L279-L283 HydrophobicContact CG-CD1 4.13Å; L279-L283 WeakPolarHBondContact O-CG 3.46Å; L279-L283 PolarHBondContact O-N 2.85Å; S280-L283 PolarHBondContact O-N 3.33Å; L283-I286 PolarHBondContact O-N 3.19Å; L283-Q287 PolarHBondContact O-N 3.01Å
284Q92.6Very high88.5Confident136 Ų13664.3 Ų64.364%0.63637%0.366SS*.Hα-helixtrans-64.3-41176.5-173.7179.4-200111.9S280 T281 R282 I286 Q287 A288S280-Q284 WeakPolarHBondContact O-CB 3.49Å; S280-Q284 PolarHBondContact O-N 3.26Å; T281-Q284 PolarHBondContact O-N 3.31Å; R282-Q284 VanDerWaalsContact C-N 3.35Å; R282-Q284 PolarHBondContact O-N 3.1Å; Q284-I286 VanDerWaalsContact C-N 3.35Å; Q284-Q287 PolarHBondContact O-N 3.26Å; Q284-A288 WeakPolarHBondContact O-CB 3.47Å; Q284-A288 PolarHBondContact O-N 3.35Å
285Q90Very high87.1Confident87 Ų8767.6 Ų67.641%0.40738%0.384SS..Hα-helixtrans-61.1-44175.7-72.6174-2.700111.6I128 T281 R282 A288 M289I128-Q285 HydrophobicContact CD1-CB 4.11Å; I128-Q285 HydrophobicContact CG2-CB 4.42Å; T281-Q285 WeakPolarHBondContact O-CG 3.28Å; T281-Q285 PolarHBondContact O-N 3.41Å; R282-Q285 PolarHBondContact O-N 2.96Å; Q285-A288 PolarHBondContact O-N 2.94Å; Q285-M289 WeakPolarHBondContact O-CG 3.46Å; Q285-M289 PolarHBondContact O-N 2.78Å
286I88.6Confident85.5Confident19 Ų1974.9 Ų74.910%0.09742%0.418CS..Hα-helixtrans-62.2-46.8177.4-68.3163.8000110.8I128 L129 R282 L283 Q284 A288 M289 Q290I128-I286 HydrophobicContact CB-CG1 4.23Å; I128-I286 HydrophobicContact CD1-CG1 4.13Å; I128-I286 HydrophobicContact CG2-CD1 4.23Å; I128-I286 HydrophobicContact CG2-CG1 4.04Å; L129-I286 HydrophobicContact CD1-CD1 4.3Å; L129-I286 HydrophobicContact CD2-CD1 3.27Å; L129-I286 HydrophobicContact CG-CD1 3.74Å; R282-I286 WeakPolarHBondContact O-CG1 3.35Å; R282-I286 PolarHBondContact O-N 3.22Å; L283-I286 PolarHBondContact O-N 3.19Å; Q284-I286 VanDerWaalsContact C-N 3.35Å; I286-A288 VanDerWaalsContact C-N 3.3Å; I286-A288 PolarHBondContact O-N 2.84Å; I286-M289 PolarHBondContact O-N 2.87Å; I286-Q290 HydrophobicContact CG2-CG 4.31Å; I286-Q290 VanDerWaalsContact O-CG 3.31Å; I286-Q290 WeakPolarHBondContact O-CG 3.43Å; I286-Q290 PolarHBondContact O-N 3.04Å
287Q88.5Confident83.4Confident130 Ų13077.3 Ų77.361%0.60743%0.429SS*.Hα-helixtrans-60.8-40.6178.1-174.5-179.3-700111.9L283 Q284 S291L283-Q287 PolarHBondContact O-N 3.01Å; Q284-Q287 PolarHBondContact O-N 3.26Å; Q287-S291 PolarHBondContact O-N 2.91Å; Q287-S291 VanDerWaalsContact O-N 3.1Å; Q287-S291 PolarHBondContact O-OG 3.37Å
288A89.2Confident81.4Confident51 Ų5181.2 Ų81.242%0.42144%0.443SS..Hα-helixtrans-63.5-43.8176.100000111.6Q284 Q285 I286 S291 I292Q284-A288 WeakPolarHBondContact O-CB 3.47Å; Q284-A288 PolarHBondContact O-N 3.35Å; Q285-A288 PolarHBondContact O-N 2.94Å; I286-A288 VanDerWaalsContact C-N 3.3Å; I286-A288 PolarHBondContact O-N 2.84Å; A288-S291 WeakPolarHBondContact O-CB 3.28Å; A288-S291 PolarHBondContact O-N 3.22Å; A288-I292 WeakPolarHBondContact O-CG1 3.27Å; A288-I292 PolarHBondContact O-N 2.98Å
289M86.4Confident79.5Confident77 Ų7786.9 Ų86.938%0.37947%0.474SS..Hα-helixtrans-65.3-43.9177.3-74.1-160.271.900112.8T125 I128 Q285 I286 S291 I292 S293T125-M289 HydrophobicContact CG2-CB 4.12Å; T125-M289 HydrophobicContact CG2-CE 3.81Å; T125-M289 HydrophobicContact CG2-SD 4.06Å; I128-M289 HydrophobicContact CD1-SD 3.64Å; Q285-M289 WeakPolarHBondContact O-CG 3.46Å; Q285-M289 PolarHBondContact O-N 2.78Å; I286-M289 PolarHBondContact O-N 2.87Å; M289-S291 PolarHBondContact O-N 3.46Å; M289-I292 WeakPolarHBondContact O-CB 3.45Å; M289-I292 PolarHBondContact O-N 2.91Å; M289-I292 VanDerWaalsContact O-N 3.1Å; M289-S293 PolarHBondContact O-N 3.37Å; M289-S293 PolarHBondContact O-OG 3.46Å
290Q84.8Confident77.3Confident113 Ų11389.1 Ų89.153%0.52850%0.501SS..Hα-helixtrans-60.2-36.3176.6-72.3174.7-7.100112I286 I292 S293 G294I286-Q290 HydrophobicContact CG2-CG 4.31Å; I286-Q290 VanDerWaalsContact O-CG 3.31Å; I286-Q290 WeakPolarHBondContact O-CG 3.43Å; I286-Q290 PolarHBondContact O-N 3.04Å; Q290-I292 VanDerWaalsContact C-N 3.35Å; Q290-S293 PolarHBondContact O-N 3.15Å; Q290-G294 PolarHBondContact O-N 2.89Å
291S87Confident74.8Confident70 Ų7094.5 Ų94.549%0.4952%0.517SS..Hα-helixtrans-64.1-39.1175.8-57.20000112Q287 A288 M289 T295Q287-S291 PolarHBondContact O-N 2.91Å; Q287-S291 VanDerWaalsContact O-N 3.1Å; Q287-S291 PolarHBondContact O-OG 3.37Å; A288-S291 WeakPolarHBondContact O-CB 3.28Å; A288-S291 PolarHBondContact O-N 3.22Å; M289-S291 PolarHBondContact O-N 3.46Å; S291-T295 PolarHBondContact O-N 2.9Å; S291-T295 PolarHBondContact O-OG1 3.15Å
292I83.4Confident72.5Confident107 Ų10796.8 Ų96.855%0.54953%0.532SS..Hα-helixtrans-66.9-45.9176.3-62.7164.3000110.6A288 M289 Q290 G294 T295 Q296A288-I292 WeakPolarHBondContact O-CG1 3.27Å; A288-I292 PolarHBondContact O-N 2.98Å; M289-I292 WeakPolarHBondContact O-CB 3.45Å; M289-I292 PolarHBondContact O-N 2.91Å; M289-I292 VanDerWaalsContact O-N 3.1Å; Q290-I292 VanDerWaalsContact C-N 3.35Å; I292-G294 PolarHBondContact O-N 3.22Å; I292-T295 PolarHBondContact O-N 3.28Å; I292-Q296 PolarHBondContact O-N 3.4Å
293S77.6Confident70.4Confident62 Ų62108.6 Ų108.643%0.43458%0.577SS.*Hα-helixtrans-64-39.2178.7-60.70000112.8M289 Q290 T295 Q296M289-S293 PolarHBondContact O-N 3.37Å; M289-S293 PolarHBondContact O-OG 3.46Å; Q290-S293 PolarHBondContact O-N 3.15Å; S293-T295 VanDerWaalsContact C-N 3.32Å; S293-T295 PolarHBondContact O-N 3.49Å; S293-Q296 PolarHBondContact O-N 3.38Å
294G70.8Confident68.1Low43 Ų43113.6 Ų113.644%0.44360%0.598SS.*Hα-helixtrans-66-32175.900000113.7Q290 I292Q290-G294 PolarHBondContact O-N 2.89Å; I292-G294 PolarHBondContact O-N 3.22Å
295T62.7Low65.7Low97 Ų97110.7 Ų110.760%0.59561%0.605SS**Hα-helixtrans-73.7-33.3177.7-49.20000111.8S291 I292 S293 Q297 D298S291-T295 PolarHBondContact O-N 2.9Å; S291-T295 PolarHBondContact O-OG1 3.15Å; I292-T295 PolarHBondContact O-N 3.28Å; S293-T295 VanDerWaalsContact C-N 3.32Å; S293-T295 PolarHBondContact O-N 3.49Å; T295-Q297 VanDerWaalsContact C-N 3.3Å; T295-Q297 PolarHBondContact O-N 3.49Å; T295-D298 PolarHBondContact O-N 3.23Å
296Q57.6Low63.4Low153 Ų153111.2 Ų111.272%0.71562%0.624SS**Hα-helixtrans-70.1-21.6177-75.3-171.7-24.600114.2I292 S293I292-Q296 PolarHBondContact O-N 3.4Å; S293-Q296 PolarHBondContact O-N 3.38Å
297Q51.3Low61.4Low167 Ų167114.1 Ų114.178%0.7866%0.658SS**Hα-helixtrans-80.9-24.8177.5-93.1-179.1-10.400114T295T295-Q297 VanDerWaalsContact C-N 3.3Å; T295-Q297 PolarHBondContact O-N 3.49Å
298D49.9Very low59.3Low134 Ų134113.9 Ų113.972%0.71767%0.666SS**Hα-helixtrans-86.3-18.5-174.6-14917.7000113.4T295 G300T295-D298 PolarHBondContact O-N 3.23Å; D298-G300 PolarHBondContact O-N 3.28Å
299D52.3Low57.5Low154 Ų154116 Ų11682%0.82468%0.684SS**THydrogen-bonded Turntrans-76-2.4174.1-104.2-29.3000113.7
300G44.4Very low55.7Low64 Ų64118.9 Ų118.966%0.6671%0.706SS**THydrogen-bonded Turntrans-88.7-0.5-177.900000116.1D298 P302D298-G300 PolarHBondContact O-N 3.28Å; G300-P302 WeakPolarHBondContact O-CD 3.45Å
301K42.2Very low53.9Low177 Ų177122.7 Ų122.777%0.7772%0.723SS**SBendtrans-93.7113.1-176.7-152170.9-170.6173.30110.9R303K301-R303 PolarHBondContact O-N 3.2Å
302P41.9Very low51.8Low108 Ų108122.6 Ų122.670%0.70173%0.733SS**  trans-66.1123.3178.727.6-33.2000109.3G300 Q304G300-P302 WeakPolarHBondContact O-CD 3.45Å; P302-Q304 VanDerWaalsContact C-N 3.35Å; P302-Q304 PolarHBondContact O-N 2.87Å
303R47.8Very low50.2Low252 Ų252123.2 Ų123.295%0.95175%0.747SS**  trans-57.797165.2-85.1-178.6168.9179.2-2.2108.4K301 G305K301-R303 PolarHBondContact O-N 3.2Å; R303-G305 PolarHBondContact O-N 3.5Å
304Q41.4Very low48.6Very low185 Ų185129.8 Ų129.886%0.86479%0.794SS**  trans-62.3122.5167.3-83179.96.100108.6P302 A306P302-Q304 VanDerWaalsContact C-N 3.35Å; P302-Q304 PolarHBondContact O-N 2.87Å; Q304-A306 PolarHBondContact O-N 3.28Å
305G42.1Very low47.5Very low74 Ų74134.2 Ų134.276%0.76381%0.811SS**  trans-59.2131.9-173.300000112.9R303 G307R303-G305 PolarHBondContact O-N 3.5Å; G305-G307 PolarHBondContact O-N 3.23Å
306A42.1Very low46.7Very low99 Ų99136.1 Ų136.182%0.81882%0.822SS**  trans-71.5102.6159.200000107.9Q304 T308Q304-A306 PolarHBondContact O-N 3.28Å; A306-T308 PolarHBondContact O-N 3.19Å
307G45.2Very low46.1Very low79 Ų79135.2 Ų135.281%0.81483%0.828SS**  trans-66.3111.1166.900000109.5G305G305-G307 PolarHBondContact O-N 3.23Å
308T46.1Very low45.8Very low126 Ų126133.3 Ų133.377%0.77383%0.831SS**  trans-91.8103.9163.149.90000108.4A306A306-T308 PolarHBondContact O-N 3.19Å
309A50.2Low45.5Very low96 Ų96133.3 Ų133.379%0.79384%0.838SS**  trans-59.7133.8159.400000109.4
310T48.2Very low45Very low137 Ų137131.9 Ų131.984%0.8484%0.839SS**  trans-138.396.6156.1-43.60000107.6
311Q48Very low45.1Very low192 Ų192136.7 Ų136.790%0.89785%0.852SS**  trans-79.2151.8158.7-73.4-179.9-3.800109.2
312G43.3Very low45.3Very low68 Ų68133.6 Ų133.670%0.70186%0.859SS**  trans134.279.4169.200000110.2
313S50.1Low45.6Very low120 Ų120135.8 Ų135.884%0.83987%0.872SS**  70.9123.379-67.40000114.5
314S42.9Very low45.4Very low201 Ų201125.2 Ų125.2100%1.40687%0.865SS**  trans83.20159.9-62.60000118.4

Retrieved 314 of 314 residues in 496.6 ms (Link to these results)

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