A0A061ILV9_CRIGR Loading...

F-box only protein 7

AlphaFold DB , UniProt , Accession A0A061ILV9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 519 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
1M73.5Confident77.9Confident53 Ų5392.1 Ų92.126%0.26139%0.392SS..  0140.90-170.3-176.4-170.300110.8L3 V16 P21 L63 I68 V69 S70M1-L3 HydrophobicContact CE-CD2 3.72Å; M1-L3 HydrophobicContact CE-CG 4.48Å; M1-L3 HydrophobicContact CG-CD2 4.39Å; M1-L3 HydrophobicContact CG-CG 4.29Å; M1-L3 HydrophobicContact SD-CD1 4.22Å; M1-L3 HydrophobicContact SD-CD2 4.1Å; M1-L3 HydrophobicContact SD-CG 4.24Å; M1-V16 PolarHBondContact N-O 2.8Å; M1-V16 PolarHBondContact O-N 3.07Å; M1-P21 HydrophobicContact CB-CG 4.46Å; M1-P21 HydrophobicContact SD-CG 3.99Å; M1-L63 HydrophobicContact SD-CD1 3.94Å; M1-I68 HydrophobicContact CE-CB 4.42Å; M1-I68 HydrophobicContact CE-CG2 3.81Å; M1-I68 WeakPolarHBondContact CE-O 3.35Å; M1-V69 WeakPolarHBondContact CE-O 3.3Å; M1-S70 VanDerWaalsContact CE-N 3.3Å
2R78.8Confident77.7Confident161 Ų16189.1 Ų89.161%0.60838%0.381SS*.EExtended strand (participates in β ladder)trans-104.3124.3175.2-54.7-179.290.1-172.57.6109.6L14 E15 S70 G71R2-L14 CarbonylContact C-O 3.54Å; R2-L14 WeakPolarHBondContact CA-O 3.31Å; R2-E15 HydrophobicContact CG-CG 4.23Å; R2-E15 IonicContact CZ-OE1 3.4Å; R2-E15 IonicContact NE-OE1 3.42Å; R2-E15 PolarHBondContact NE-OE1 3.29Å; R2-E15 IonicContact NH2-OE1 3.44Å; R2-E15 PolarHBondContact NH2-OE1 3.44Å; R2-S70 PolarHBondContact N-OG 3.22Å; R2-S70 CarbonylContact O-C 3.48Å; R2-S70 WeakPolarHBondContact O-CA 3.27Å; R2-S70 PolarHBondContact O-OG 3.03Å; R2-G71 PolarHBondContact O-N 3.42Å
3L82.3Confident77.9Confident3 Ų389.5 Ų89.52%0.01640%0.399CS..EExtended strand (participates in β ladder)trans-123155.4-178.1-66.9168.7000110M1 P13 L14 V16 L26 L63 I68 I74M1-L3 HydrophobicContact CE-CD2 3.72Å; M1-L3 HydrophobicContact CE-CG 4.48Å; M1-L3 HydrophobicContact CG-CD2 4.39Å; M1-L3 HydrophobicContact CG-CG 4.29Å; M1-L3 HydrophobicContact SD-CD1 4.22Å; M1-L3 HydrophobicContact SD-CD2 4.1Å; M1-L3 HydrophobicContact SD-CG 4.24Å; L3-P13 CarbonylContact O-C 3.48Å; L3-P13 WeakPolarHBondContact O-CA 3.45Å; L3-L14 PolarHBondContact N-O 3.09Å; L3-L14 PolarHBondContact O-N 2.72Å; L3-V16 HydrophobicContact CD1-CG2 4.07Å; L3-L26 HydrophobicContact CD1-CD1 3.84Å; L3-L26 HydrophobicContact CD1-CD2 4.49Å; L3-L63 HydrophobicContact CD1-CD1 3.96Å; L3-I68 HydrophobicContact CD2-CG2 3.8Å; L3-I74 HydrophobicContact CD1-CD1 3.82Å; L3-I74 HydrophobicContact CD2-CD1 4.13Å; L3-I74 HydrophobicContact CG-CD1 4.39Å
4R82.4Confident78Confident134 Ų13483.7 Ų83.751%0.50637%0.374SS..EExtended strand (participates in β ladder)trans-108.1122.2170.4-69.9177.3-70.6173.7-0.9107.8T11 G71 D72 L73 I74R4-T11 HydrophobicContact CB-CG2 4.06Å; R4-G71 VanDerWaalsContact CZ-O 3.32Å; R4-G71 PolarHBondContact NE-O 2.76Å; R4-G71 PolarHBondContact NH2-O 2.83Å; R4-D72 PolarHBondContact N-O 2.97Å; R4-L73 HydrophobicContact CB-CD1 3.8Å; R4-L73 CarbonylContact O-C 3.42Å; R4-L73 VanDerWaalsContact O-CA 3.32Å; R4-L73 WeakPolarHBondContact O-CA 3.4Å; R4-I74 PolarHBondContact O-N 2.82Å
5V82Confident77.7Confident0 Ų085.7 Ų85.70%038%0.384CS..EExtended strand (participates in β ladder)trans-109.4130-178.2-174.70000109.3T11 Q12 L14 L30 L34 W38 I74 L76V5-T11 CarbonylContact O-C 3.56Å; V5-T11 VanDerWaalsContact O-CA 3.27Å; V5-T11 WeakPolarHBondContact O-CA 3.48Å; V5-Q12 PolarHBondContact N-O 2.96Å; V5-Q12 PolarHBondContact O-N 2.82Å; V5-L14 HydrophobicContact CG2-CB 3.91Å; V5-L14 HydrophobicContact CG2-CD2 4.07Å; V5-L30 HydrophobicContact CB-CD2 4.42Å; V5-L30 HydrophobicContact CG1-CD2 3.81Å; V5-L30 HydrophobicContact CG2-CD2 3.93Å; V5-L34 HydrophobicContact CB-CD1 4.02Å; V5-L34 HydrophobicContact CG1-CD1 4.26Å; V5-L34 HydrophobicContact CG2-CD1 3.87Å; V5-W38 HydrophobicContact CB-CH2 4.39Å; V5-W38 HydrophobicContact CG1-CH2 3.99Å; V5-W38 HydrophobicContact CG1-CZ3 4.44Å; V5-I74 CarbonylContact C-O 3.58Å; V5-I74 VanDerWaalsContact CA-O 3.3Å; V5-I74 WeakPolarHBondContact CA-O 3.26Å; V5-L76 HydrophobicContact CG1-CD1 3.57Å; V5-L76 HydrophobicContact CG1-CD2 4.4Å; V5-L76 HydrophobicContact CG1-CG 3.68Å
6R81.4Confident77.5Confident95 Ų9580.9 Ų80.936%0.35836%0.363SS..EExtended strand (participates in β ladder)trans-116.1127179.8-176.2177.2179.6171.91.9111.6R10 L73 I74 C75 L76R6-R10 CarbonylContact C-O 3.55Å; R6-R10 WeakPolarHBondContact CA-O 3.18Å; R6-L73 HydrophobicContact CB-CD1 4.02Å; R6-I74 PolarHBondContact N-O 3.25Å; R6-C75 CarbonylContact O-C 3.55Å; R6-C75 WeakPolarHBondContact O-CA 3.38Å; R6-L76 PolarHBondContact O-N 3.31Å
7L80Confident76.5Confident7 Ų782.6 Ų82.64%0.03738%0.384CS..EExtended strand (participates in β ladder)trans-131.8126.9170.8-179.970.4000108.7K9 R10 W38 F40 L76 L78L7-K9 VanDerWaalsContact C-N 3.28Å; L7-K9 PolarHBondContact O-N 3.22Å; L7-R10 PolarHBondContact N-O 3.5Å; L7-R10 PolarHBondContact O-N 3.18Å; L7-W38 HydrophobicContact CB-CE3 3.72Å; L7-W38 HydrophobicContact CB-CH2 3.7Å; L7-W38 HydrophobicContact CB-CZ3 3.19Å; L7-W38 HydrophobicContact CD2-CD2 4.28Å; L7-W38 HydrophobicContact CD2-CE3 3.31Å; L7-W38 HydrophobicContact CD2-CZ3 3.64Å; L7-W38 HydrophobicContact CG-CE3 4.14Å; L7-W38 HydrophobicContact CG-CZ3 4.03Å; L7-F40 HydrophobicContact CD2-CD2 4.03Å; L7-F40 HydrophobicContact CD2-CE2 3.5Å; L7-F40 HydrophobicContact CD2-CZ 4.12Å; L7-L76 HydrophobicContact CB-CB 4.41Å; L7-L76 HydrophobicContact CD1-CB 3.81Å; L7-L76 WeakPolarHBondContact CD1-O 3.38Å; L7-L78 HydrophobicContact CD1-CD1 4.16Å; L7-L78 HydrophobicContact CD1-CG 4.07Å
8Q67.3Low76Confident129 Ų12983.4 Ų83.460%0.60339%0.388SS*.THydrogen-bonded Turntrans42.947.9176-64.3-177.3-11.800114.7R10Q8-R10 VanDerWaalsContact C-N 3.34Å; Q8-R10 PolarHBondContact O-N 3.35Å
9K71.9Confident75.1Confident184 Ų18486.8 Ų86.880%0.842%0.415SS*.THydrogen-bonded Turntrans736.2-179-52174178.5173.10116.7L7L7-K9 VanDerWaalsContact C-N 3.28Å; L7-K9 PolarHBondContact O-N 3.22Å
10R73.8Confident74.5Confident167 Ų16790.4 Ų90.463%0.6343%0.431SS*.EExtended strand (participates in β ladder)trans-98.8131.6168.5-62.4-177.6178.21790.8109.5R6 L7 Q8R6-R10 CarbonylContact C-O 3.55Å; R6-R10 WeakPolarHBondContact CA-O 3.18Å; L7-R10 PolarHBondContact N-O 3.5Å; L7-R10 PolarHBondContact O-N 3.18Å; Q8-R10 VanDerWaalsContact C-N 3.34Å; Q8-R10 PolarHBondContact O-N 3.35Å
11T83.7Confident74.5Confident80 Ų8086.4 Ų86.449%0.49141%0.413SS..EExtended strand (participates in β ladder)trans-116.5129177.3-52.60000109.3R4 V5 L73R4-T11 HydrophobicContact CB-CG2 4.06Å; V5-T11 CarbonylContact O-C 3.56Å; V5-T11 VanDerWaalsContact O-CA 3.27Å; V5-T11 WeakPolarHBondContact O-CA 3.48Å; T11-L73 HydrophobicContact CG2-CD1 3.97Å
12Q75.9Confident74.8Confident56 Ų5685.6 Ų85.626%0.26241%0.411SS..EExtended strand (participates in β ladder)trans-128.4137.8176.8-167.5172.4-25.500110.5V5 L34 W38V5-Q12 PolarHBondContact N-O 2.96Å; V5-Q12 PolarHBondContact O-N 2.82Å; Q12-L34 HydrophobicContact CB-CD2 4.1Å; Q12-L34 VanDerWaalsContact CD-CD2 3.45Å; Q12-L34 HydrophobicContact CG-CD2 3.97Å; Q12-W38 HydrophobicContact CB-CZ2 3.69Å
13P79.5Confident74.8Confident95 Ų9578 Ų7862%0.61738%0.382SS*.EExtended strand (participates in β ladder)trans-69.9135.4171.629.2-33.6000110.1L3L3-P13 CarbonylContact O-C 3.48Å; L3-P13 WeakPolarHBondContact O-CA 3.45Å
14L79.1Confident74.5Confident8 Ų878.8 Ų78.84%0.04239%0.391CS..EExtended strand (participates in β ladder)trans-118.5124.9174.2-172.865.5000109.2R2 L3 V5 V16 L26 H29 L30 L34R2-L14 CarbonylContact C-O 3.54Å; R2-L14 WeakPolarHBondContact CA-O 3.31Å; L3-L14 PolarHBondContact N-O 3.09Å; L3-L14 PolarHBondContact O-N 2.72Å; V5-L14 HydrophobicContact CG2-CB 3.91Å; V5-L14 HydrophobicContact CG2-CD2 4.07Å; L14-V16 HydrophobicContact CD2-CG2 4Å; L14-V16 HydrophobicContact CG-CG2 4.22Å; L14-L26 HydrophobicContact CD2-CD1 3.78Å; L14-H29 VanDerWaalsContact CD1-CE1 3.44Å; L14-H29 WeakPolarHBondContact CD1-CE1 3.38Å; L14-H29 VanDerWaalsContact CD1-ND1 3.34Å; L14-H29 WeakPolarHBondContact CD1-ND1 3.22Å; L14-L30 HydrophobicContact CD2-CD2 3.98Å; L14-L30 HydrophobicContact CD2-CG 4.41Å; L14-L34 HydrophobicContact CB-CD1 4Å; L14-L34 HydrophobicContact CD1-CD1 3.44Å; L14-L34 VanDerWaalsContact CD1-CD1 3.44Å; L14-L34 HydrophobicContact CD1-CG 3.79Å; L14-L34 HydrophobicContact CD2-CD1 3.81Å; L14-L34 HydrophobicContact CG-CD1 3.94Å
15E73.9Confident74.3Confident113 Ų11375.9 Ų75.953%0.52838%0.384SS..EExtended strand (participates in β ladder)trans-100115.5170.3-59.1-168.2165.200108R2 H29R2-E15 HydrophobicContact CG-CG 4.23Å; R2-E15 IonicContact CZ-OE1 3.4Å; R2-E15 IonicContact NE-OE1 3.42Å; R2-E15 PolarHBondContact NE-OE1 3.29Å; R2-E15 IonicContact NH2-OE1 3.44Å; R2-E15 PolarHBondContact NH2-OE1 3.44Å; E15-H29 PolarHBondContact O-CE1 2.95Å
16V74.6Confident74.2Confident9 Ų976 Ų766%0.05538%0.384CS..  trans-94.2117.6173.9-1750000106.8M1 L3 L14 E18 P21 L26M1-V16 PolarHBondContact N-O 2.8Å; M1-V16 PolarHBondContact O-N 3.07Å; L3-V16 HydrophobicContact CD1-CG2 4.07Å; L14-V16 HydrophobicContact CD2-CG2 4Å; L14-V16 HydrophobicContact CG-CG2 4.22Å; V16-E18 PolarHBondContact O-N 3.1Å; V16-P21 HydrophobicContact CG1-CB 3.74Å; V16-P21 HydrophobicContact CG1-CG 4.26Å; V16-L26 HydrophobicContact CG2-CD1 3.97Å
17P60.7Low74.2Confident111 Ų11175 Ų7572%0.72138%0.381SS*.  trans-72.4-9.5-168.625.7-33.1000114.8
18E67.1Low74.1Confident97 Ų9776.6 Ų76.645%0.45340%0.395SS..SBendtrans-95.5154.5-173.7-66.4-176-171.300114.1V16 Q25V16-E18 PolarHBondContact O-N 3.1Å; E18-Q25 VanDerWaalsContact OE2-CD 3.25Å; E18-Q25 PolarHBondContact OE2-NE2 3.07Å; E18-Q25 PolarHBondContact OE2-OE1 3.29Å
19T58.7Low74.6Confident147 Ų14772.7 Ų72.790%0.90238%0.376SS*.SBendtrans-79.8-29.4-172.5-34.30000112.7
20E63.8Low75Confident158 Ų15863.9 Ų63.974%0.73834%0.338SS*.SBendtrans-138.374.5173.5-68.4-174.6174.300110.8
21P74.4Confident75Confident8 Ų857.1 Ų57.15%0.05232%0.316CS..  trans-66.7138.1-17727.3-35.4000112.1M1 V16 L63M1-P21 HydrophobicContact CB-CG 4.46Å; M1-P21 HydrophobicContact SD-CG 3.99Å; V16-P21 HydrophobicContact CG1-CB 3.74Å; V16-P21 HydrophobicContact CG1-CG 4.26Å; P21-L63 HydrophobicContact CB-CD1 4.04Å; P21-L63 HydrophobicContact CB-CG 4.4Å; P21-L63 HydrophobicContact CG-CB 4.46Å; P21-L63 HydrophobicContact CG-CD1 3.64Å; P21-L63 HydrophobicContact CG-CG 4.12Å; P21-L63 WeakPolarHBondContact O-CG 3.45Å; P21-L63 PolarHBondContact O-N 2.81Å
22T80.6Confident74.6Confident36 Ų3660.1 Ų60.122%0.22133%0.325CS..BIsolated β-bridgetrans-87159.8168.4640000111.5G24 Q25 L26 E61T22-G24 VanDerWaalsContact C-N 3.27Å; T22-G24 PolarHBondContact O-N 3.47Å; T22-Q25 PolarHBondContact O-N 3.44Å; T22-Q25 VanDerWaalsContact OG1-CG 3.26Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.37Å; T22-Q25 PolarHBondContact OG1-N 3.43Å; T22-Q25 PolarHBondContact OG1-OE1 2.81Å; T22-L26 PolarHBondContact O-N 3.17Å; T22-E61 WeakPolarHBondContact CA-O 3.33Å
23L78.7Confident74.5Confident0 Ų060.7 Ų60.70%033%0.332CS..Hα-helixtrans-62.7-34.9177.4-170135.9000112.3L26 R27 I48 L56 G58 E61 L63 Y66L23-L26 PolarHBondContact O-N 3.13Å; L23-R27 PolarHBondContact O-N 2.97Å; L23-I48 HydrophobicContact CG-CD1 4.49Å; L23-L56 HydrophobicContact CD1-CB 3.56Å; L23-L56 HydrophobicContact CD1-CD1 3.92Å; L23-L56 HydrophobicContact CD1-CG 4.39Å; L23-G58 WeakPolarHBondContact CB-O 3.4Å; L23-G58 WeakPolarHBondContact CD2-O 3.35Å; L23-E61 PolarHBondContact N-O 2.96Å; L23-L63 HydrophobicContact CB-CD2 4.34Å; L23-Y66 HydrophobicContact CB-CE2 4.22Å; L23-Y66 HydrophobicContact CD1-CD2 4.01Å; L23-Y66 HydrophobicContact CD1-CE2 3.63Å
24G75.3Confident74.2Confident20 Ų2056.2 Ų56.221%0.20630%0.303CS..Hα-helixtrans-63.2-41.9173.600000113T22 R27 A28 D59T22-G24 VanDerWaalsContact C-N 3.27Å; T22-G24 PolarHBondContact O-N 3.47Å; G24-R27 PolarHBondContact O-N 2.94Å; G24-A28 PolarHBondContact O-N 3.47Å; G24-D59 WeakPolarHBondContact CA-O 3.41Å; G24-D59 PolarHBondContact N-O 3.48Å
25Q77.8Confident74Confident74 Ų7455.9 Ų55.935%0.34630%0.301SS..Hα-helixtrans-67-39.5175.2-71.1170.6-2700112.1E18 T22 R27 A28 H29E18-Q25 VanDerWaalsContact OE2-CD 3.25Å; E18-Q25 PolarHBondContact OE2-NE2 3.07Å; E18-Q25 PolarHBondContact OE2-OE1 3.29Å; T22-Q25 PolarHBondContact O-N 3.44Å; T22-Q25 VanDerWaalsContact OG1-CG 3.26Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.37Å; T22-Q25 PolarHBondContact OG1-N 3.43Å; T22-Q25 PolarHBondContact OG1-OE1 2.81Å; Q25-R27 VanDerWaalsContact C-N 3.33Å; Q25-R27 PolarHBondContact O-N 2.87Å; Q25-A28 PolarHBondContact O-N 2.91Å; Q25-H29 WeakPolarHBondContact O-CB 3.42Å; Q25-H29 PolarHBondContact O-N 2.91Å
26L80.1Confident73.9Confident1 Ų153.6 Ų53.61%0.00530%0.296CS..Hα-helixtrans-60.4-44.1173-179.667.8000110.7L3 L14 V16 T22 L23 H29 L30 I48 L63 I74L3-L26 HydrophobicContact CD1-CD1 3.84Å; L3-L26 HydrophobicContact CD1-CD2 4.49Å; L14-L26 HydrophobicContact CD2-CD1 3.78Å; V16-L26 HydrophobicContact CG2-CD1 3.97Å; T22-L26 PolarHBondContact O-N 3.17Å; L23-L26 PolarHBondContact O-N 3.13Å; L26-H29 PolarHBondContact O-N 3.42Å; L26-L30 HydrophobicContact CD1-CD1 4.26Å; L26-L30 HydrophobicContact CD1-CG 4.36Å; L26-L30 HydrophobicContact CD2-CD1 4.41Å; L26-L30 HydrophobicContact CG-CD1 3.81Å; L26-L30 HydrophobicContact CG-CG 4.36Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CD1 3.48Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.35Å; L26-I48 HydrophobicContact CD2-CD1 4.28Å; L26-I48 HydrophobicContact CG-CD1 4.48Å; L26-L63 HydrophobicContact CB-CD1 4.46Å; L26-L63 HydrophobicContact CB-CD2 4.41Å; L26-L63 HydrophobicContact CD2-CD1 4.09Å; L26-L63 HydrophobicContact CD2-CD2 3.82Å; L26-I74 HydrophobicContact CD2-CD1 3.68Å
27R80.6Confident73.9Confident75 Ų7557.2 Ų57.228%0.28332%0.318SS..Hα-helixtrans-61.9-44177.2-167.3-177.9-69.3149.110.5111.8L23 G24 Q25 L30 S31 F46 I48 D59L23-R27 PolarHBondContact O-N 2.97Å; G24-R27 PolarHBondContact O-N 2.94Å; Q25-R27 VanDerWaalsContact C-N 3.33Å; Q25-R27 PolarHBondContact O-N 2.87Å; R27-L30 PolarHBondContact O-N 2.72Å; R27-S31 PolarHBondContact O-N 3.02Å; R27-S31 PolarHBondContact O-OG 3.24Å; R27-F46 HydrophobicContact CG-CE1 4.41Å; R27-F46 HydrophobicContact CG-CE2 3.83Å; R27-F46 HydrophobicContact CG-CZ 3.57Å; R27-I48 HydrophobicContact CB-CD1 4.15Å; R27-D59 IonicContact CZ-OD1 2.77Å; R27-D59 IonicContact CZ-OD2 2.84Å; R27-D59 IonicContact NH1-OD1 3.55Å; R27-D59 PolarHBondContact NH1-OD1 2.62Å; R27-D59 IonicContact NH1-OD2 2.95Å; R27-D59 PolarHBondContact NH1-OD2 2.84Å; R27-D59 IonicContact NH2-OD1 2.75Å; R27-D59 PolarHBondContact NH2-OD1 2.85Å
28A77.8Confident74.3Confident40 Ų4053.5 Ų53.533%0.33129%0.29SS..Hα-helixtrans-63.8-40.3176.100000112.4G24 Q25 S31 Q32G24-A28 PolarHBondContact O-N 3.47Å; Q25-A28 PolarHBondContact O-N 2.91Å; A28-S31 PolarHBondContact O-N 2.98Å; A28-S31 PolarHBondContact O-OG 3.37Å; A28-Q32 WeakPolarHBondContact O-CB 3.47Å; A28-Q32 VanDerWaalsContact O-CG 3.27Å; A28-Q32 WeakPolarHBondContact O-CG 3.37Å; A28-Q32 PolarHBondContact O-N 3.21Å
29H78.8Confident74.3Confident47 Ų4752.4 Ų52.422%0.21830%0.304CS..Hα-helixtrans-69.9-36.8178.1-165.2-102.6000112.1L14 E15 Q25 L26 V33L14-H29 VanDerWaalsContact CD1-CE1 3.44Å; L14-H29 WeakPolarHBondContact CD1-CE1 3.38Å; L14-H29 VanDerWaalsContact CD1-ND1 3.34Å; L14-H29 WeakPolarHBondContact CD1-ND1 3.22Å; E15-H29 PolarHBondContact O-CE1 2.95Å; Q25-H29 WeakPolarHBondContact O-CB 3.42Å; Q25-H29 PolarHBondContact O-N 2.91Å; L26-H29 PolarHBondContact O-N 3.42Å; H29-V33 WeakPolarHBondContact O-CB 3.38Å; H29-V33 PolarHBondContact O-N 2.91Å
30L79.3Confident75Confident0 Ų048.3 Ų48.30%027%0.274CS..Iπ-helixtrans-63.1-43.1173.5-73.6165.3000111.6V5 L14 L26 R27 L34 L35 F46 I48 L76V5-L30 HydrophobicContact CB-CD2 4.42Å; V5-L30 HydrophobicContact CG1-CD2 3.81Å; V5-L30 HydrophobicContact CG2-CD2 3.93Å; L14-L30 HydrophobicContact CD2-CD2 3.98Å; L14-L30 HydrophobicContact CD2-CG 4.41Å; L26-L30 HydrophobicContact CD1-CD1 4.26Å; L26-L30 HydrophobicContact CD1-CG 4.36Å; L26-L30 HydrophobicContact CD2-CD1 4.41Å; L26-L30 HydrophobicContact CG-CD1 3.81Å; L26-L30 HydrophobicContact CG-CG 4.36Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CD1 3.48Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 3.35Å; R27-L30 PolarHBondContact O-N 2.72Å; L30-L34 HydrophobicContact CD2-CB 4.31Å; L30-L34 HydrophobicContact CD2-CD1 3.32Å; L30-L34 HydrophobicContact CD2-CG 4.42Å; L30-L34 PolarHBondContact O-N 3.49Å; L30-L35 PolarHBondContact O-N 2.97Å; L30-F46 HydrophobicContact CB-CE2 3.98Å; L30-F46 HydrophobicContact CB-CZ 3.7Å; L30-F46 HydrophobicContact CD1-CE2 3.89Å; L30-F46 HydrophobicContact CD1-CZ 4.42Å; L30-I48 HydrophobicContact CD1-CD1 3.78Å; L30-I48 HydrophobicContact CD1-CG1 4.19Å; L30-L76 HydrophobicContact CD1-CD2 3.87Å; L30-L76 HydrophobicContact CD2-CD1 4.01Å
31S75.8Confident75.2Confident25 Ų2544.2 Ų44.218%0.17526%0.263CS..Iπ-helixtrans-71.7-34.5179.9670000113.9R27 A28 P36R27-S31 PolarHBondContact O-N 3.02Å; R27-S31 PolarHBondContact O-OG 3.24Å; A28-S31 PolarHBondContact O-N 2.98Å; A28-S31 PolarHBondContact O-OG 3.37Å; S31-P36 WeakPolarHBondContact O-CD 3.34Å
32Q74Confident74.7Confident143 Ų14347.2 Ų47.267%0.66828%0.284SS*.Iπ-helixtrans-84.5-33.3-177.8-68.6176.510.700113.5A28 P36A28-Q32 WeakPolarHBondContact O-CB 3.47Å; A28-Q32 VanDerWaalsContact O-CG 3.27Å; A28-Q32 WeakPolarHBondContact O-CG 3.37Å; A28-Q32 PolarHBondContact O-N 3.21Å; Q32-P36 WeakPolarHBondContact O-CG 3.45Å
33V73.4Confident73.9Confident67 Ų6752 Ų5241%0.40631%0.309SS..Iπ-helixtrans-112.5-48.5-170-174.70000112.5H29 T37H29-V33 WeakPolarHBondContact O-CB 3.38Å; H29-V33 PolarHBondContact O-N 2.91Å; V33-T37 PolarHBondContact O-OG1 2.96Å
34L74.1Confident73.5Confident2 Ų253.6 Ų53.61%0.0132%0.318CS..Iπ-helixtrans-83.8-42.4-172.4-84.6171.3000113.5V5 Q12 L14 L30 T37 W38V5-L34 HydrophobicContact CB-CD1 4.02Å; V5-L34 HydrophobicContact CG1-CD1 4.26Å; V5-L34 HydrophobicContact CG2-CD1 3.87Å; Q12-L34 HydrophobicContact CB-CD2 4.1Å; Q12-L34 VanDerWaalsContact CD-CD2 3.45Å; Q12-L34 HydrophobicContact CG-CD2 3.97Å; L14-L34 HydrophobicContact CB-CD1 4Å; L14-L34 HydrophobicContact CD1-CD1 3.44Å; L14-L34 VanDerWaalsContact CD1-CD1 3.44Å; L14-L34 HydrophobicContact CD1-CG 3.79Å; L14-L34 HydrophobicContact CD2-CD1 3.81Å; L14-L34 HydrophobicContact CG-CD1 3.94Å; L30-L34 HydrophobicContact CD2-CB 4.31Å; L30-L34 HydrophobicContact CD2-CD1 3.32Å; L30-L34 HydrophobicContact CD2-CG 4.42Å; L30-L34 PolarHBondContact O-N 3.49Å; L34-T37 WeakPolarHBondContact O-CB 3.09Å; L34-T37 PolarHBondContact O-N 3.45Å; L34-W38 HydrophobicContact CD2-CZ2 4.38Å; L34-W38 PolarHBondContact O-N 2.99Å; L34-W38 VanDerWaalsContact O-N 3.15Å
35L74.9Confident73.3Confident1 Ų161.6 Ų61.61%0.00534%0.342CS..Hα-helixtrans-60.9-45.3179.3-73.1-179.9000113L30 T37 W38 G39 F40 T44 F46L30-L35 PolarHBondContact O-N 2.97Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 3.37Å; L35-W38 CarbonylContact O-C 3.54Å; L35-W38 PolarHBondContact O-N 3.3Å; L35-W38 VanDerWaalsContact O-N 3.09Å; L35-G39 PolarHBondContact O-N 2.9Å; L35-F40 CarbonylContact C-O 3.56Å; L35-F40 HydrophobicContact CB-CB 4.14Å; L35-F40 HydrophobicContact CD2-CB 4.09Å; L35-F40 HydrophobicContact CD2-CD2 4.32Å; L35-F40 HydrophobicContact CD2-CG 4.39Å; L35-F40 PolarHBondContact O-N 3.39Å; L35-T44 WeakPolarHBondContact CD1-OG1 3.1Å; L35-F46 HydrophobicContact CD1-CD1 3.5Å; L35-F46 HydrophobicContact CD1-CE1 3.41Å; L35-F46 VanDerWaalsContact CD1-CE1 3.41Å; L35-F46 HydrophobicContact CD1-CZ 4.43Å; L35-F46 HydrophobicContact CG-CD1 4.49Å; L35-F46 HydrophobicContact CG-CE1 4.4Å
36P72.4Confident73.3Confident64 Ų6459.1 Ų59.142%0.41633%0.33SS..Hα-helixtrans-63.9-34.9175-24.636.8000112.9S31 Q32 W38 G39S31-P36 WeakPolarHBondContact O-CD 3.34Å; Q32-P36 WeakPolarHBondContact O-CG 3.45Å; P36-W38 PolarHBondContact O-N 2.73Å; P36-G39 PolarHBondContact O-N 2.8Å; P36-G39 VanDerWaalsContact O-N 3.1Å
37T73.6Confident73.3Confident86 Ų8660.3 Ų60.353%0.52834%0.34SS..Hα-helixtrans-63.9-26.5176.1-57.70000112V33 L34 L35V33-T37 PolarHBondContact O-OG1 2.96Å; L34-T37 WeakPolarHBondContact O-CB 3.09Å; L34-T37 PolarHBondContact O-N 3.45Å; L35-T37 VanDerWaalsContact C-N 3.3Å; L35-T37 PolarHBondContact O-N 3.37Å
38W69.8Low73.4Confident33 Ų3356.8 Ų56.813%0.12533%0.327CS..THydrogen-bonded Turntrans-96.33.2176.5-68.7-15.4000114.4V5 L7 Q12 L34 L35 P36 F40 L76V5-W38 HydrophobicContact CB-CH2 4.39Å; V5-W38 HydrophobicContact CG1-CH2 3.99Å; V5-W38 HydrophobicContact CG1-CZ3 4.44Å; L7-W38 HydrophobicContact CB-CE3 3.72Å; L7-W38 HydrophobicContact CB-CH2 3.7Å; L7-W38 HydrophobicContact CB-CZ3 3.19Å; L7-W38 HydrophobicContact CD2-CD2 4.28Å; L7-W38 HydrophobicContact CD2-CE3 3.31Å; L7-W38 HydrophobicContact CD2-CZ3 3.64Å; L7-W38 HydrophobicContact CG-CE3 4.14Å; L7-W38 HydrophobicContact CG-CZ3 4.03Å; Q12-W38 HydrophobicContact CB-CZ2 3.69Å; L34-W38 HydrophobicContact CD2-CZ2 4.38Å; L34-W38 PolarHBondContact O-N 2.99Å; L34-W38 VanDerWaalsContact O-N 3.15Å; L35-W38 CarbonylContact O-C 3.54Å; L35-W38 PolarHBondContact O-N 3.3Å; L35-W38 VanDerWaalsContact O-N 3.09Å; P36-W38 PolarHBondContact O-N 2.73Å; W38-F40 HydrophobicContact CB-CD2 3.74Å; W38-F40 HydrophobicContact CB-CE2 3.96Å; W38-L76 HydrophobicContact CZ3-CD1 4.06Å
39G66.4Low73.5Confident73 Ų7355 Ų5575%0.75331%0.312SS*.THydrogen-bonded Turntrans83.215.3177.700000114.5L35 P36L35-G39 PolarHBondContact O-N 2.9Å; P36-G39 PolarHBondContact O-N 2.8Å; P36-G39 VanDerWaalsContact O-N 3.1Å
40F73.9Confident73.5Confident61 Ų6155.6 Ų55.627%0.26832%0.316SS..  trans-93.5149.4173.1-63.8-80.6000110.4L7 L35 W38 T44 L78L7-F40 HydrophobicContact CD2-CD2 4.03Å; L7-F40 HydrophobicContact CD2-CE2 3.5Å; L7-F40 HydrophobicContact CD2-CZ 4.12Å; L35-F40 CarbonylContact C-O 3.56Å; L35-F40 HydrophobicContact CB-CB 4.14Å; L35-F40 HydrophobicContact CD2-CB 4.09Å; L35-F40 HydrophobicContact CD2-CD2 4.32Å; L35-F40 HydrophobicContact CD2-CG 4.39Å; L35-F40 PolarHBondContact O-N 3.39Å; W38-F40 HydrophobicContact CB-CD2 3.74Å; W38-F40 HydrophobicContact CB-CE2 3.96Å; F40-T44 HydrophobicContact CB-CG2 3.97Å; F40-T44 HydrophobicContact CD1-CG2 4.27Å; F40-L78 HydrophobicContact CD1-CD1 4.36Å; F40-L78 HydrophobicContact CE1-CD1 3.64Å; F40-L78 HydrophobicContact CZ-CD1 3.83Å
41S68.6Low73.3Confident73 Ų7361.2 Ų61.251%0.5135%0.347SS..  trans-68153.8173.152.10000110.6D43 T44S41-D43 PolarHBondContact O-N 2.93Å; S41-T44 PolarHBondContact O-N 3.05Å; S41-T44 PolarHBondContact O-OG1 2.83Å; S41-T44 WeakPolarHBondContact OG-CG2 3.13Å
42S62.4Low72.7Confident71 Ų7164.7 Ų64.750%0.49736%0.363SS..THydrogen-bonded Turntrans-57.9-17.4174.550.60000113.7
43D63.8Low72.1Confident137 Ų13766.5 Ų66.573%0.73337%0.369SS*.THydrogen-bonded Turntrans-100.12.2-172.5-60.2-0.9000112.8S41 R45S41-D43 PolarHBondContact O-N 2.93Å; D43-R45 PolarHBondContact O-N 3.48Å
44T69.9Low72.1Confident33 Ų3368.6 Ų68.620%0.20238%0.377CS..  trans-66129176.855.90000110.3L35 F40 S41 F46L35-T44 WeakPolarHBondContact CD1-OG1 3.1Å; F40-T44 HydrophobicContact CB-CG2 3.97Å; F40-T44 HydrophobicContact CD1-CG2 4.27Å; S41-T44 PolarHBondContact O-N 3.05Å; S41-T44 PolarHBondContact O-OG1 2.83Å; S41-T44 WeakPolarHBondContact OG-CG2 3.13Å; T44-F46 WeakPolarHBondContact O-CD1 3.17Å
45R72.2Confident72.2Confident187 Ų18771 Ų7171%0.70640%0.397SS*.  trans-80.1130.2175.3-58-175.9-179.1-176.6-0.7110.2D43 E79D43-R45 PolarHBondContact O-N 3.48Å; R45-E79 HydrophobicContact CB-CB 4.06Å; R45-E79 WeakPolarHBondContact CB-OE2 3.13Å; R45-E79 WeakPolarHBondContact CD-OE2 3.36Å; R45-E79 PolarHBondContact O-N 2.79Å; R45-E79 VanDerWaalsContact O-N 3.13Å
46F78.3Confident72.1Confident23 Ų2372.3 Ų72.310%0.10140%0.404CS..EExtended strand (participates in β ladder)trans-140144.5-179.661.5-88.7000110.9R27 L30 L35 T44 I48 L76 V77R27-F46 HydrophobicContact CG-CE1 4.41Å; R27-F46 HydrophobicContact CG-CE2 3.83Å; R27-F46 HydrophobicContact CG-CZ 3.57Å; L30-F46 HydrophobicContact CB-CE2 3.98Å; L30-F46 HydrophobicContact CB-CZ 3.7Å; L30-F46 HydrophobicContact CD1-CE2 3.89Å; L30-F46 HydrophobicContact CD1-CZ 4.42Å; L35-F46 HydrophobicContact CD1-CD1 3.5Å; L35-F46 HydrophobicContact CD1-CE1 3.41Å; L35-F46 VanDerWaalsContact CD1-CE1 3.41Å; L35-F46 HydrophobicContact CD1-CZ 4.43Å; L35-F46 HydrophobicContact CG-CD1 4.49Å; L35-F46 HydrophobicContact CG-CE1 4.4Å; T44-F46 WeakPolarHBondContact O-CD1 3.17Å; F46-I48 HydrophobicContact CD2-CG1 4.11Å; F46-I48 HydrophobicContact CE2-CD1 4.24Å; F46-I48 HydrophobicContact CE2-CG1 3.92Å; F46-L76 HydrophobicContact CD2-CD2 3.74Å; F46-L76 HydrophobicContact CE2-CD2 4.04Å; F46-V77 CarbonylContact C-O 3.5Å; F46-V77 VanDerWaalsContact CA-O 3.3Å; F46-V77 WeakPolarHBondContact CA-O 3.32Å
47A80.1Confident71.9Confident25 Ų2574.9 Ų74.921%0.20742%0.419CS..EExtended strand (participates in β ladder)trans-95135.6170.300000110.1T49 A55 L76 V77A47-T49 HydrophobicContact CB-CG2 4.48Å; A47-A55 HydrophobicContact CB-CB 3.9Å; A47-L76 WeakPolarHBondContact O-CA 3.4Å; A47-V77 PolarHBondContact N-O 2.83Å; A47-V77 PolarHBondContact O-N 2.73Å
48I81.4Confident71.6Confident1 Ų171.9 Ų71.91%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-90.4121173.2-57.8177.9000107.3L23 L26 R27 L30 F46 L56 I74 L76L23-I48 HydrophobicContact CG-CD1 4.49Å; L26-I48 HydrophobicContact CD2-CD1 4.28Å; L26-I48 HydrophobicContact CG-CD1 4.48Å; R27-I48 HydrophobicContact CB-CD1 4.15Å; L30-I48 HydrophobicContact CD1-CD1 3.78Å; L30-I48 HydrophobicContact CD1-CG1 4.19Å; F46-I48 HydrophobicContact CD2-CG1 4.11Å; F46-I48 HydrophobicContact CE2-CD1 4.24Å; F46-I48 HydrophobicContact CE2-CG1 3.92Å; I48-L56 HydrophobicContact CG2-CD1 4.23Å; I48-L56 PolarHBondContact O-N 3.04Å; I48-I74 HydrophobicContact CG2-CG2 3.37Å; I48-L76 HydrophobicContact CB-CD2 4.47Å; I48-L76 HydrophobicContact CG1-CD2 3.9Å
49T81.3Confident71.5Confident3 Ų374 Ų742%0.01842%0.419CS..EExtended strand (participates in β ladder)trans-129.3149.2-177.8700000110.2A47 N52 D54 C75 V77A47-T49 HydrophobicContact CB-CG2 4.48Å; T49-N52 WeakPolarHBondContact OG1-CA 3.26Å; T49-N52 PolarHBondContact OG1-N 3.15Å; T49-D54 VanDerWaalsContact CA-O 3.31Å; T49-D54 WeakPolarHBondContact CA-O 3.42Å; T49-D54 VanDerWaalsContact CB-O 3.25Å; T49-D54 WeakPolarHBondContact CB-O 3.48Å; T49-D54 WeakPolarHBondContact CG2-O 3.4Å; T49-C75 PolarHBondContact N-O 3.03Å; T49-C75 WeakPolarHBondContact O-CA 3.44Å; T49-C75 PolarHBondContact O-N 3.38Å; T49-C75 VanDerWaalsContact O-O 3.04Å; T49-C75 WeakPolarHBondContact OG1-CB 3.36Å; T49-C75 PolarHBondContact OG1-O 2.98Å; T49-V77 HydrophobicContact CG2-CG2 4Å
50L78.1Confident71.6Confident60 Ų6079.3 Ų79.331%0.31442%0.424SS..SBendtrans-92.6-29.9170.7-63.8173.5000111.8L56 I68 I74L50-L56 HydrophobicContact CD1-CD1 4.35Å; L50-L56 HydrophobicContact CD1-CD2 4.45Å; L50-L56 HydrophobicContact CG-CD1 4.11Å; L50-I68 HydrophobicContact CD1-CG1 4.32Å; L50-I68 HydrophobicContact CD2-CD1 4.22Å; L50-I68 HydrophobicContact CD2-CG1 4.18Å; L50-I74 HydrophobicContact CD2-CG1 4.23Å
51N74.6Confident71.7Confident118 Ų11880.8 Ų80.863%0.63143%0.432SS*.SBendtrans-120.218.3-172.1-69.1-30.3000114.6K53N51-K53 PolarHBondContact O-N 3.28Å; N51-K53 VanDerWaalsContact O-N 3.14Å
52N64.5Low72.2Confident98 Ų9879.7 Ų79.752%0.52442%0.422SS..SBendtrans58.714.6-172.7-58.4-27.6000115.1T49 C75T49-N52 WeakPolarHBondContact OG1-CA 3.26Å; T49-N52 PolarHBondContact OG1-N 3.15Å; N52-C75 WeakPolarHBondContact OD1-CB 3.34Å; N52-C75 PolarHBondContact OD1-SG 3.36Å
53K61.4Low72.7Confident181 Ų18176.4 Ų76.479%0.78740%0.399SS*.SBendtrans-134.7-48.2-174.4-67.5-175178.5-175.60112.3N51N51-K53 PolarHBondContact O-N 3.28Å; N51-K53 VanDerWaalsContact O-N 3.14Å
54D73.4Confident73.3Confident110 Ų11073.6 Ų73.659%0.58840%0.395SS*.PPolyproline II helixtrans-97.5116.8-176.1-51.7-40.5000110.4T49T49-D54 VanDerWaalsContact CA-O 3.31Å; T49-D54 WeakPolarHBondContact CA-O 3.42Å; T49-D54 VanDerWaalsContact CB-O 3.25Å; T49-D54 WeakPolarHBondContact CB-O 3.48Å; T49-D54 WeakPolarHBondContact CG2-O 3.4Å
55A75.1Confident73.5Confident52 Ų5275.5 Ų75.543%0.4341%0.409SS..BIsolated β-bridgetrans-79121.3175.200000110.4A47 T57A47-A55 HydrophobicContact CB-CB 3.9Å; A55-T57 PolarHBondContact O-N 3.11Å; A55-T57 PolarHBondContact O-OG1 3.45Å
56L74Confident73.4Confident29 Ų2969 Ų6915%0.15239%0.385CS..PPolyproline II helixtrans-68.4119.2172.3-61.9177.6000108.8L23 I48 L50 Y66 I68L23-L56 HydrophobicContact CD1-CB 3.56Å; L23-L56 HydrophobicContact CD1-CD1 3.92Å; L23-L56 HydrophobicContact CD1-CG 4.39Å; I48-L56 HydrophobicContact CG2-CD1 4.23Å; I48-L56 PolarHBondContact O-N 3.04Å; L50-L56 HydrophobicContact CD1-CD1 4.35Å; L50-L56 HydrophobicContact CD1-CD2 4.45Å; L50-L56 HydrophobicContact CG-CD1 4.11Å; L56-Y66 HydrophobicContact CD2-CD1 3.82Å; L56-Y66 HydrophobicContact CD2-CE1 4.19Å; L56-Y66 HydrophobicContact CD2-CG 4.33Å; L56-I68 HydrophobicContact CD1-CD1 4.01Å
57T66.9Low73.3Confident118 Ų11870.3 Ų70.372%0.72441%0.405SS*.  trans-119.2123-177.2-48.50000108.4A55 Y66A55-T57 PolarHBondContact O-N 3.11Å; A55-T57 PolarHBondContact O-OG1 3.45Å; T57-Y66 PolarHBondContact O-OH 2.81Å; T57-Y66 VanDerWaalsContact O-OH 3.05Å
58G67.6Low73.2Confident23 Ų2369.4 Ų69.424%0.23740%0.397CS..  trans136.197.9-17700000111.3L23 E60 Y66L23-G58 WeakPolarHBondContact CB-O 3.4Å; L23-G58 WeakPolarHBondContact CD2-O 3.35Å; G58-E60 VanDerWaalsContact C-N 3.32Å; G58-E60 PolarHBondContact O-N 2.92Å; G58-Y66 PolarHBondContact O-OH 2.75Å
59D68.2Low73Confident77 Ų7773.8 Ų73.841%0.41242%0.424SS..SBendtrans-80-16.6-173.5-66.1-6.6000113G24 R27G24-D59 WeakPolarHBondContact CA-O 3.41Å; G24-D59 PolarHBondContact N-O 3.48Å; R27-D59 IonicContact CZ-OD1 2.77Å; R27-D59 IonicContact CZ-OD2 2.84Å; R27-D59 IonicContact NH1-OD1 3.55Å; R27-D59 PolarHBondContact NH1-OD1 2.62Å; R27-D59 IonicContact NH1-OD2 2.95Å; R27-D59 PolarHBondContact NH1-OD2 2.84Å; R27-D59 IonicContact NH2-OD1 2.75Å; R27-D59 PolarHBondContact NH2-OD1 2.85Å
60E68.6Low72.8Confident185 Ų18577 Ų7786%0.86445%0.446SS*.SBendtrans-94-11.4-176.2-57.2-166.3171.800113.6G58G58-E60 VanDerWaalsContact C-N 3.32Å; G58-E60 PolarHBondContact O-N 2.92Å
61E76.1Confident72.6Confident93 Ų9375.6 Ų75.644%0.43545%0.446SS..SBendtrans-82140.4-179-73.2-175.1-151.300111.8T22 L23 Y66T22-E61 WeakPolarHBondContact CA-O 3.33Å; L23-E61 PolarHBondContact N-O 2.96Å; E61-Y66 HydrophobicContact CB-CD2 4.33Å; E61-Y66 HydrophobicContact CB-CE2 3.46Å; E61-Y66 VanDerWaalsContact CB-CE2 3.46Å; E61-Y66 VanDerWaalsContact CD-OH 3.3Å; E61-Y66 HydrophobicContact CG-CE2 4.47Å; E61-Y66 WeakPolarHBondContact OE2-CE1 3.32Å; E61-Y66 PolarHBondContact OE2-OH 2.84Å; E61-Y66 VanDerWaalsContact OE2-OH 3.1Å
62T78.8Confident72.9Confident49 Ų4972.9 Ų72.930%0.30143%0.432SS..BIsolated β-bridgetrans-68.8148.9176.860.50000111.2A64 S65T62-A64 PolarHBondContact O-N 3.17Å; T62-A64 VanDerWaalsContact O-N 3.09Å; T62-S65 PolarHBondContact O-N 2.99Å; T62-S65 PolarHBondContact O-OG 2.86Å; T62-S65 PolarHBondContact OG1-N 3.28Å; T62-S65 PolarHBondContact OG1-OG 2.89Å
63L73.4Confident73.6Confident3 Ų371.2 Ų71.22%0.01642%0.422CS..THydrogen-bonded Turntrans-58.8-26.7174.4-65.3-172.6000112.5M1 L3 P21 L23 L26 Y66 G67 I68M1-L63 HydrophobicContact SD-CD1 3.94Å; L3-L63 HydrophobicContact CD1-CD1 3.96Å; P21-L63 HydrophobicContact CB-CD1 4.04Å; P21-L63 HydrophobicContact CB-CG 4.4Å; P21-L63 HydrophobicContact CG-CB 4.46Å; P21-L63 HydrophobicContact CG-CD1 3.64Å; P21-L63 HydrophobicContact CG-CG 4.12Å; P21-L63 WeakPolarHBondContact O-CG 3.45Å; P21-L63 PolarHBondContact O-N 2.81Å; L23-L63 HydrophobicContact CB-CD2 4.34Å; L26-L63 HydrophobicContact CB-CD1 4.46Å; L26-L63 HydrophobicContact CB-CD2 4.41Å; L26-L63 HydrophobicContact CD2-CD1 4.09Å; L26-L63 HydrophobicContact CD2-CD2 3.82Å; L63-Y66 PolarHBondContact O-N 2.9Å; L63-G67 PolarHBondContact O-N 2.55Å; L63-I68 HydrophobicContact CB-CB 4.18Å; L63-I68 HydrophobicContact CB-CD1 4.47Å; L63-I68 HydrophobicContact CD2-CD1 3.92Å; L63-I68 VanDerWaalsContact O-CB 3.31Å; L63-I68 WeakPolarHBondContact O-CB 3.48Å; L63-I68 PolarHBondContact O-N 3.01Å
64A74.8Confident74.7Confident78 Ų7862.6 Ų62.665%0.64539%0.385SS*.THydrogen-bonded Turntrans-68.5-32.6176.100000113.8T62 Y66 G67T62-A64 PolarHBondContact O-N 3.17Å; T62-A64 VanDerWaalsContact O-N 3.09Å; A64-Y66 VanDerWaalsContact C-N 3.3Å; A64-Y66 PolarHBondContact O-N 2.84Å; A64-G67 WeakPolarHBondContact O-CA 3.33Å; A64-G67 PolarHBondContact O-N 2.7Å
65S74.3Confident75Confident72 Ų7257.7 Ų57.750%0.50336%0.359SS..THydrogen-bonded Turntrans-70.5-28.1177.557.60000112.3T62 G67T62-S65 PolarHBondContact O-N 2.99Å; T62-S65 PolarHBondContact O-OG 2.86Å; T62-S65 PolarHBondContact OG1-N 3.28Å; T62-S65 PolarHBondContact OG1-OG 2.89Å; S65-G67 PolarHBondContact O-N 2.74Å
66Y70.5Confident75.2Confident51 Ų5155.6 Ų55.620%0.234%0.34CS..THydrogen-bonded Turntrans-80.12.2168.2-65.1-66.6000113.6L23 L56 T57 G58 E61 L63 A64 I68L23-Y66 HydrophobicContact CB-CE2 4.22Å; L23-Y66 HydrophobicContact CD1-CD2 4.01Å; L23-Y66 HydrophobicContact CD1-CE2 3.63Å; L56-Y66 HydrophobicContact CD2-CD1 3.82Å; L56-Y66 HydrophobicContact CD2-CE1 4.19Å; L56-Y66 HydrophobicContact CD2-CG 4.33Å; T57-Y66 PolarHBondContact O-OH 2.81Å; T57-Y66 VanDerWaalsContact O-OH 3.05Å; G58-Y66 PolarHBondContact O-OH 2.75Å; E61-Y66 HydrophobicContact CB-CD2 4.33Å; E61-Y66 HydrophobicContact CB-CE2 3.46Å; E61-Y66 VanDerWaalsContact CB-CE2 3.46Å; E61-Y66 VanDerWaalsContact CD-OH 3.3Å; E61-Y66 HydrophobicContact CG-CE2 4.47Å; E61-Y66 WeakPolarHBondContact OE2-CE1 3.32Å; E61-Y66 PolarHBondContact OE2-OH 2.84Å; E61-Y66 VanDerWaalsContact OE2-OH 3.1Å; L63-Y66 PolarHBondContact O-N 2.9Å; A64-Y66 VanDerWaalsContact C-N 3.3Å; A64-Y66 PolarHBondContact O-N 2.84Å; Y66-I68 VanDerWaalsContact C-N 3.29Å; Y66-I68 PolarHBondContact O-N 2.84Å
67G75.8Confident75.5Confident50 Ų5055.8 Ų55.852%0.51534%0.343SS..THydrogen-bonded Turntrans72.517.8-179.100000114.4L63 A64 S65L63-G67 PolarHBondContact O-N 2.55Å; A64-G67 WeakPolarHBondContact O-CA 3.33Å; A64-G67 PolarHBondContact O-N 2.7Å; S65-G67 PolarHBondContact O-N 2.74Å
68I77.5Confident75.9Confident6 Ų651 Ų513%0.03131%0.312CS..  trans-82.4122.9-178.3-54.5169.1000108.9M1 L3 L50 L56 L63 Y66 D72 I74M1-I68 HydrophobicContact CE-CB 4.42Å; M1-I68 HydrophobicContact CE-CG2 3.81Å; M1-I68 WeakPolarHBondContact CE-O 3.35Å; L3-I68 HydrophobicContact CD2-CG2 3.8Å; L50-I68 HydrophobicContact CD1-CG1 4.32Å; L50-I68 HydrophobicContact CD2-CD1 4.22Å; L50-I68 HydrophobicContact CD2-CG1 4.18Å; L56-I68 HydrophobicContact CD1-CD1 4.01Å; L63-I68 HydrophobicContact CB-CB 4.18Å; L63-I68 HydrophobicContact CB-CD1 4.47Å; L63-I68 HydrophobicContact CD2-CD1 3.92Å; L63-I68 VanDerWaalsContact O-CB 3.31Å; L63-I68 WeakPolarHBondContact O-CB 3.48Å; L63-I68 PolarHBondContact O-N 3.01Å; Y66-I68 VanDerWaalsContact C-N 3.29Å; Y66-I68 PolarHBondContact O-N 2.84Å; I68-D72 HydrophobicContact CG2-CB 4.11Å; I68-I74 HydrophobicContact CG2-CD1 4.3Å
69V78.5Confident75.9Confident94 Ų9454.8 Ų54.857%0.5732%0.324SS*.  trans-114157-179.6-174.40000110.3M1 G71 D72M1-V69 WeakPolarHBondContact CE-O 3.3Å; V69-G71 PolarHBondContact O-N 3.35Å; V69-G71 VanDerWaalsContact O-N 3.15Å; V69-D72 PolarHBondContact N-OD2 2.87Å; V69-D72 WeakPolarHBondContact O-CB 3.41Å; V69-D72 PolarHBondContact O-N 2.96Å; V69-D72 VanDerWaalsContact O-N 3.11Å
70S76Confident75.1Confident70 Ų7059 Ų5949%0.4935%0.346SS..THydrogen-bonded Turntrans-58.1121.2177.7-170.40000110.2M1 R2M1-S70 VanDerWaalsContact CE-N 3.3Å; R2-S70 PolarHBondContact N-OG 3.22Å; R2-S70 CarbonylContact O-C 3.48Å; R2-S70 WeakPolarHBondContact O-CA 3.27Å; R2-S70 PolarHBondContact O-OG 3.03Å
71G74.5Confident74.1Confident30 Ų3055.4 Ų55.431%0.30933%0.334SS..THydrogen-bonded Turntrans114.3-13.3-176.400000114R2 R4 V69R2-G71 PolarHBondContact O-N 3.42Å; R4-G71 VanDerWaalsContact CZ-O 3.32Å; R4-G71 PolarHBondContact NE-O 2.76Å; R4-G71 PolarHBondContact NH2-O 2.83Å; V69-G71 PolarHBondContact O-N 3.35Å; V69-G71 VanDerWaalsContact O-N 3.15Å
72D80.1Confident72.6Confident62 Ų6255.8 Ų55.833%0.33234%0.338SS..  trans-68.6152.9-176.7-73.8-14000113.4R4 I68 V69R4-D72 PolarHBondContact N-O 2.97Å; I68-D72 HydrophobicContact CG2-CB 4.11Å; V69-D72 PolarHBondContact N-OD2 2.87Å; V69-D72 WeakPolarHBondContact O-CB 3.41Å; V69-D72 PolarHBondContact O-N 2.96Å; V69-D72 VanDerWaalsContact O-N 3.11Å
73L80.4Confident70.7Confident63 Ų6359.1 Ų59.133%0.3336%0.36SS..EExtended strand (participates in β ladder)trans-94.7121.7177.5-17671.5000109.3R4 R6 T11R4-L73 HydrophobicContact CB-CD1 3.8Å; R4-L73 CarbonylContact O-C 3.42Å; R4-L73 VanDerWaalsContact O-CA 3.32Å; R4-L73 WeakPolarHBondContact O-CA 3.4Å; R6-L73 HydrophobicContact CB-CD1 4.02Å; T11-L73 HydrophobicContact CG2-CD1 3.97Å
74I83.5Confident68.8Low0 Ų062.9 Ų62.90%039%0.392CS..EExtended strand (participates in β ladder)trans-110.5132.3175.2-59.9-178.4000108.2L3 R4 V5 R6 L26 I48 L50 I68L3-I74 HydrophobicContact CD1-CD1 3.82Å; L3-I74 HydrophobicContact CD2-CD1 4.13Å; L3-I74 HydrophobicContact CG-CD1 4.39Å; R4-I74 PolarHBondContact O-N 2.82Å; V5-I74 CarbonylContact C-O 3.58Å; V5-I74 VanDerWaalsContact CA-O 3.3Å; V5-I74 WeakPolarHBondContact CA-O 3.26Å; R6-I74 PolarHBondContact N-O 3.25Å; L26-I74 HydrophobicContact CD2-CD1 3.68Å; I48-I74 HydrophobicContact CG2-CG2 3.37Å; L50-I74 HydrophobicContact CD2-CG1 4.23Å; I68-I74 HydrophobicContact CG2-CD1 4.3Å
75C81.3Confident66.9Low6 Ų665 Ų654%0.04140%0.399CS..EExtended strand (participates in β ladder)trans-107.6129.6179.6-68.10000110.9R6 T49 N52R6-C75 CarbonylContact O-C 3.55Å; R6-C75 WeakPolarHBondContact O-CA 3.38Å; T49-C75 PolarHBondContact N-O 3.03Å; T49-C75 WeakPolarHBondContact O-CA 3.44Å; T49-C75 PolarHBondContact O-N 3.38Å; T49-C75 VanDerWaalsContact O-O 3.04Å; T49-C75 WeakPolarHBondContact OG1-CB 3.36Å; T49-C75 PolarHBondContact OG1-O 2.98Å; N52-C75 WeakPolarHBondContact OD1-CB 3.34Å; N52-C75 PolarHBondContact OD1-SG 3.36Å
76L78.8Confident64.7Low8 Ų869.4 Ų69.44%0.04242%0.417CS..EExtended strand (participates in β ladder)trans-97.7133.6174.8-58.3179.9000109.9V5 R6 L7 L30 W38 F46 A47 I48V5-L76 HydrophobicContact CG1-CD1 3.57Å; V5-L76 HydrophobicContact CG1-CD2 4.4Å; V5-L76 HydrophobicContact CG1-CG 3.68Å; R6-L76 PolarHBondContact O-N 3.31Å; L7-L76 HydrophobicContact CB-CB 4.41Å; L7-L76 HydrophobicContact CD1-CB 3.81Å; L7-L76 WeakPolarHBondContact CD1-O 3.38Å; L30-L76 HydrophobicContact CD1-CD2 3.87Å; L30-L76 HydrophobicContact CD2-CD1 4.01Å; W38-L76 HydrophobicContact CZ3-CD1 4.06Å; F46-L76 HydrophobicContact CD2-CD2 3.74Å; F46-L76 HydrophobicContact CE2-CD2 4.04Å; A47-L76 WeakPolarHBondContact O-CA 3.4Å; I48-L76 HydrophobicContact CB-CD2 4.47Å; I48-L76 HydrophobicContact CG1-CD2 3.9Å
77V79.1Confident62.8Low33 Ų3374.7 Ų74.720%0.245%0.448CS..EExtended strand (participates in β ladder)trans-117.6124.1173-177.80000107.6F46 A47 T49 L82F46-V77 CarbonylContact C-O 3.5Å; F46-V77 VanDerWaalsContact CA-O 3.3Å; F46-V77 WeakPolarHBondContact CA-O 3.32Å; A47-V77 PolarHBondContact N-O 2.83Å; A47-V77 PolarHBondContact O-N 2.73Å; T49-V77 HydrophobicContact CG2-CG2 4Å; V77-L82 HydrophobicContact CG1-CD2 4.18Å
78L76.9Confident60.9Low17 Ų1778.1 Ų78.19%0.08946%0.461CS..EExtended strand (participates in β ladder)trans-75.7138.5176.1-70.6159000109L7 F40 D80 D81L7-L78 HydrophobicContact CD1-CD1 4.16Å; L7-L78 HydrophobicContact CD1-CG 4.07Å; F40-L78 HydrophobicContact CD1-CD1 4.36Å; F40-L78 HydrophobicContact CE1-CD1 3.64Å; F40-L78 HydrophobicContact CZ-CD1 3.83Å; L78-D80 PolarHBondContact O-N 3.42Å; L78-D80 VanDerWaalsContact O-N 3.14Å; L78-D81 PolarHBondContact O-N 3.03Å
79E66.9Low58.4Low103 Ų10383.6 Ų83.648%0.48150%0.5SS..G310 helixtrans-67.8-12.8-174.4-151.5170.8-170.700113.2R45 D81 L82R45-E79 HydrophobicContact CB-CB 4.06Å; R45-E79 WeakPolarHBondContact CB-OE2 3.13Å; R45-E79 WeakPolarHBondContact CD-OE2 3.36Å; R45-E79 PolarHBondContact O-N 2.79Å; R45-E79 VanDerWaalsContact O-N 3.13Å; E79-D81 VanDerWaalsContact C-N 3.26Å; E79-D81 PolarHBondContact O-N 3Å; E79-L82 HydrophobicContact CG-CD1 4.25Å
80D51.4Low56Low165 Ų16584.1 Ų84.188%0.88251%0.508SS*.G310 helixtrans-72-11.1173.4-75.1-26.3000114.2L78L78-D80 PolarHBondContact O-N 3.42Å; L78-D80 VanDerWaalsContact O-N 3.14Å
81D46.7Very low53.7Low111 Ų11186.2 Ų86.259%0.59452%0.518SS*.G310 helixtrans-106.311.1-179.9-80-36.2000113.7L78 E79L78-D81 PolarHBondContact O-N 3.03Å; E79-D81 VanDerWaalsContact C-N 3.26Å; E79-D81 PolarHBondContact O-N 3Å
82L45.9Very low51.3Low100 Ų10091.6 Ų91.652%0.52454%0.539SS..PPolyproline II helixtrans-99122-179.9-65.3178.2000112.4V77 E79V77-L82 HydrophobicContact CG1-CD2 4.18Å; E79-L82 HydrophobicContact CG-CD1 4.25Å
83P38.5Very low48.8Very low119 Ų11994.5 Ų94.577%0.77357%0.565SS**PPolyproline II helixtrans-68.9136.2165.720.7-17.7000110.1
84A32.7Very low46.2Very low83 Ų8399.2 Ų99.269%0.68659%0.585SS**PPolyproline II helixtrans-52.3142.3-174.400000113.5N86A84-N86 PolarHBondContact O-N 3.39Å
85P35.3Very low43.4Very low123 Ų123106.2 Ų106.280%0.79962%0.617SS**  trans-78.3113.6-179.430-30.8000110.8L87P85-L87 PolarHBondContact O-N 2.88Å
86N28.5Very low40.7Very low164 Ų164111.1 Ų111.188%0.87765%0.652SS**  trans-79.4115169.2-70.8-34.2000109.7A84A84-N86 PolarHBondContact O-N 3.39Å
87L31Very low38.3Very low161 Ų161115.2 Ų115.284%0.84368%0.681SS**  trans-92.8151.1159.8-88.7143.4000109.7P85P85-L87 PolarHBondContact O-N 2.88Å
88P36.2Very low35.8Very low122 Ų122120.6 Ų120.679%0.79271%0.708SS**  trans-90.6149-159.835.9-33.6000112.9
89S24.5Very low33.4Very low121 Ų121127.3 Ų127.385%0.84674%0.739SS**  trans-134.8128.9161.758.50000110.4
90S28Very low31.4Very low105 Ų105129.1 Ų129.173%0.73475%0.752SS**  trans-82.3167-174.344.60000114.8
91T28.3Very low30.1Very low115 Ų115127.9 Ų127.971%0.70675%0.746SS**  trans89112.3148.435.50000121.8
92D24.4Very low29.1Very low142 Ų142129.3 Ų129.376%0.75975%0.753SS**  trans64.1120.5133.8-54.9-16.6000122.4
93S26.2Very low28.4Very low124 Ų124133.3 Ų133.387%0.86777%0.769SS**  171.1158.9106.9-65.50000112.2
94E25.7Very low28.2Very low161 Ų161132.9 Ų132.975%0.75277%0.767SS**  trans-98.1178.1-151.1-57.4172.9116.600117.4
95H25.8Very low27.8Very low147 Ų147133.6 Ų133.668%0.68177%0.766SS**  trans88.4105.7154.1-60.4-59.2000119.4
96S24.3Very low27.3Very low109 Ų109135.9 Ų135.976%0.76277%0.771SS**  106.3145.795.274.90000110.1
97S28.7Very low27.1Very low95 Ų95132.4 Ų132.466%0.66477%0.765SS**  cis-173.8148.511.844.70000110.4
98L26.2Very low26.8Very low146 Ų146129.5 Ų129.576%0.76476%0.764SS**  trans68.3125.3136.4-64.4168.2000124.3
99Q27.2Very low26.2Very low158 Ų158128.8 Ų128.874%0.73876%0.762SS**  113.7139.4116.6-95.9172.4800122.9
100N23.7Very low26.2Very low140 Ų140127.3 Ų127.375%0.74975%0.752SS**  trans85.4102.9162.2-63.9-6.1000117.1
101N24.3Very low26.2Very low140 Ų140131.4 Ų131.475%0.74976%0.759SS**  63.7106.958.5-135.751.5000112.3
102D25.6Very low26Very low140 Ų140134.6 Ų134.675%0.74977%0.766SS**  165.3117.3117.4-78.5-24000111.2
103Q31.9Very low26Very low184 Ų184132 Ų13286%0.8676%0.764SS**  trans-89.3154.5155.7-130.9178.5-13.200107.5
104P33.3Very low25.8Very low111 Ų111131.7 Ų131.772%0.72176%0.762SS**  -143.3137.5121.417.45.3000113.1
105S24.3Very low25.8Very low97 Ų97131.3 Ų131.368%0.67876%0.764SS**  94.9112.392.8-60.80000112.3
106L25.2Very low26.3Very low171 Ų171129.3 Ų129.390%0.89576%0.764SS**  87135.278.4-81.5175.3000115.5
107A23.8Very low26.3Very low91 Ų91131.2 Ų131.275%0.75277%0.765SS**  trans91.5109.6145.400000121.7
108A24.9Very low26.1Very low101 Ų101134.9 Ų134.984%0.83577%0.772SS**  50.1131.2118.600000122
109S24.1Very low25.9Very low106 Ų106135.5 Ų135.574%0.74177%0.771SS**  -159.9131.7123.7-169.20000112.3
110S25.3Very low25.6Very low91 Ų91139.4 Ų139.464%0.63678%0.779SS**  trans-67.5153.3164.5163.90000111.6
111H27.3Very low25.6Very low191 Ų191136.9 Ų136.988%0.88477%0.773SS**  trans-147.3146.3143.7-81.2-59.8000111.5
112Q24.8Very low25.5Very low181 Ų181137 Ų13785%0.84677%0.773SS**  trans-111.9169.5-161.3-177179.38.900111
113A23.2Very low25.6Very low88 Ų88136 Ų13673%0.72778%0.777SS**  trans87141.2161.900000115.7
114S22Very low25.4Very low117 Ų117132.3 Ų132.382%0.81877%0.771SS**  cis-172149.913.911.90000110.1
115I26.3Very low25.1Very low154 Ų154136.5 Ų136.579%0.7978%0.782SS**  trans-64.6164.9167.2-70.3178.3000110
116P36Very low25.1Very low104 Ų104135.3 Ų135.368%0.67579%0.785SS**  cis-148.5168.139.715.315.4000122.2
117D23.5Very low25.2Very low150 Ų150136.7 Ų136.780%0.80279%0.786SS**  trans75.4138.4134.2-66.1-31000126
118E25.1Very low25.2Very low172 Ų172136.7 Ų136.780%0.80479%0.786SS**  trans126.188.6142.3-66.7-151.612600117.4
119Q23Very low25.3Very low159 Ų159138.9 Ų138.974%0.74379%0.79SS**  57.9112.5109.9-162.6153.5-11.300120.3
120W20.6Very low25.4Very low240 Ų240142.2 Ų142.291%0.90979%0.794SS**  -165.4138.7120.7-138.6-73000113.1
121S23.3Very low25.3Very low87 Ų87147.1 Ų147.161%0.60880%0.804SS**  trans-42.5170169-34.40000115
122D22.7Very low25.3Very low142 Ų142143.9 Ų143.976%0.75979%0.793SS**  cis-174.4151.827.3-158.1-6.7000107.1
123S27.7Very low25.4Very low120 Ų120140.2 Ų140.284%0.83979%0.794SS**  trans158.7127.6138.1-73.70000112.2
124S26.2Very low25.6Very low105 Ų105146.8 Ų146.873%0.73480%0.8SS**  trans-107.1147.4-166.743.70000112
125Q27.2Very low25.7Very low200 Ų200148 Ų14894%0.93580%0.797SS**  trans167.2114.6145.3-101.7173.5-14.900105.9
126G24.8Very low25.7Very low72 Ų72147.1 Ų147.174%0.74279%0.794SS**  cis109.286.726.400000108.6
127Q27.9Very low25.2Very low200 Ų200148.7 Ų148.794%0.93580%0.797SS**  trans-160.6118.2147.6-113.4172.1-13.500112.6
128A24.1Very low25.5Very low91 Ų91146.4 Ų146.475%0.75279%0.792SS**  trans-40.7143.4173.800000117.8
129T26.6Very low25.7Very low147 Ų147146.5 Ų146.590%0.90280%0.795SS**  -162.8119.5112.319.30000110.6
130Q26.2Very low25.9Very low176 Ų176147.6 Ų147.682%0.82280%0.8SS**  trans-86146.5165.9-83.8174.5-27.500110.2
131F23.7Very low26.1Very low193 Ų193139.5 Ų139.585%0.84679%0.791SS**  trans-173.591.8138.1-111.4-82.2000104.6
132D25.6Very low27.1Very low124 Ų124141.2 Ų141.266%0.66380%0.801SS**  85.4109.991-80.6-19.3000113.4
133A27.6Very low27.2Very low104 Ų104139.3 Ų139.386%0.8680%0.798SS**  trans-165.5110.6133.700000110.1
134W26.7Very low27.2Very low226 Ų226141.4 Ų141.486%0.85680%0.795SS**  trans-49.1140.5170.1-87-33.3000114.5
135N25.4Very low27.2Very low142 Ų142143.6 Ų143.676%0.75980%0.798SS**  54.8140.594.9-71.5-2.8000112.8
136D26.3Very low27.2Very low135 Ų135140.1 Ų140.172%0.72279%0.79SS**  cis-178168.61.3-178.319000104.6
137D25.7Very low27.4Very low138 Ų138145 Ų14574%0.73879%0.794SS**  trans98.6123.9143.4-109.9-16.6000122.1
138S28.7Very low27.4Very low102 Ų102140.2 Ų140.271%0.71379%0.788SS**  trans-73.1168.9164-53.50000108.2
139M30.6Very low27.6Very low173 Ų173144.3 Ų144.385%0.85279%0.792SS**  cis177.8175.644.7-139.3-61.2-17000106.7
140E27Very low27.7Very low182 Ų182141.4 Ų141.485%0.8578%0.778SS**  trans111.8113156.3-57.6-156.7153.700117.5
141G24.8Very low27.9Very low71 Ų71140 Ų14073%0.73277%0.774SS**  trans-86.3-130.917200000112.5
142P43.1Very low28.1Very low123 Ų123138.5 Ų138.580%0.79977%0.77SS**  -126.2178.2-58.535.6-22.9000111.9
143S25.5Very low28.3Very low101 Ų101141.8 Ų141.871%0.70678%0.781SS**  trans126.1134.6132.576.30000119.4
144Q28.6Very low28.3Very low165 Ų165140.8 Ų140.877%0.77177%0.773SS**  trans83.1104.2153.5-66.9172.19.800118.3
145N24.5Very low28.5Very low150 Ų150139.2 Ų139.280%0.80278%0.777SS**  90.7113.267.6-775.5000111.4
146V28.8Very low28.4Very low127 Ų127135.7 Ų135.777%0.7778%0.775SS**  -174.1105.3126.2-140.30000106.6
147E27.7Very low28.9Very low176 Ų176138.2 Ų138.282%0.82278%0.784SS**  71.1117.899.9-130.1168.2-153.100112.6
148A28.8Very low29.1Very low98 Ų98140 Ų14081%0.8179%0.788SS**  -151.2128.260.700000115.2
149E27.1Very low29.6Very low177 Ų177144.5 Ų144.583%0.82780%0.798SS**  trans-51.3170.2152.1-73.8174.314800113.3
150S29.1Very low29.5Very low87 Ų87143.8 Ų143.861%0.60880%0.798SS**  cis-170.2166.6-9.250.20000105.3
151I31.1Very low30Very low145 Ų145139.9 Ų139.974%0.74479%0.79SS**  -165.2107.295.7-80.6161.1000105.7
152Q27.7Very low30.2Very low162 Ų162141.1 Ų141.176%0.75779%0.787SS**  82.9104.4102.3-68.7174.8-9.500116.9
153E29.8Very low29.6Very low193 Ų193139.1 Ų139.190%0.90278%0.775SS**  20.6130.7128-66.6-179.115100120.8
154A28Very low30.4Very low84 Ų84141.4 Ų141.469%0.69477%0.774SS**  -156.4118124.900000110.6
155M30.2Very low31.3Very low192 Ų192136.8 Ų136.895%0.94676%0.758SS**  trans49.3122.4144.2-48.4-178.5-154.300117.7
156G24.1Very low32.5Very low68 Ų68137.4 Ų137.470%0.70176%0.761SS**  cis131.6118.929.200000107.2
157M35.3Very low33.4Very low188 Ų188137.7 Ų137.793%0.92675%0.754SS**  trans63133.4172.3-49.8-64.4-162.900114.5
158E31.3Very low34.7Very low176 Ų176135.2 Ų135.282%0.82275%0.753SS**  cis-149.1146.141.9-69.7177.6160.200109.8D160E158-D160 PolarHBondContact O-N 3.3Å
159E38Very low36.2Very low196 Ų196131.6 Ų131.692%0.91672%0.72SS**  trans-62.998167.2-69.3171.8142.700109.4S161E159-S161 VanDerWaalsContact C-N 3.27Å; E159-S161 PolarHBondContact O-N 3.3Å
160D29.5Very low38.1Very low158 Ų158126.1 Ų126.185%0.84570%0.696SS**  trans-67.799158-93.2-18.2000107E158 C162E158-D160 PolarHBondContact O-N 3.3Å; D160-C162 PolarHBondContact O-N 2.78Å
161S36.5Very low39.8Very low100 Ų100122 Ų12270%0.69967%0.667SS**  trans-43.9100.1173.2-151.30000109.3E159 C163E159-S161 VanDerWaalsContact C-N 3.27Å; E159-S161 PolarHBondContact O-N 3.3Å; S161-C163 PolarHBondContact O-N 2.79Å
162C28.8Very low41.1Very low97 Ų97116.8 Ų116.866%0.65564%0.643SS**  trans-71.976.2172-1640000107D160 H164D160-C162 PolarHBondContact O-N 2.78Å; C162-H164 PolarHBondContact O-N 2.82Å
163C32.5Very low42.7Very low81 Ų81114.6 Ų114.655%0.54763%0.633SS.*  trans-70.586.4169.9-64.90000107S161 P165S161-C163 PolarHBondContact O-N 2.79Å; C163-P165 WeakPolarHBondContact O-CD 3.35Å
164H41.9Very low44.1Very low150 Ų150105.9 Ų105.969%0.69459%0.593SS**  trans-49.6121.6161-61.4-67.7000107.6C162 L166C162-H164 PolarHBondContact O-N 2.82Å; H164-L166 PolarHBondContact O-N 2.91Å
165P47.4Very low45.7Very low67 Ų67109 Ų10944%0.43559%0.593SS.*  trans-56.8127.4177.6-20.430.2000108.5C163 E167C163-P165 WeakPolarHBondContact O-CD 3.35Å; P165-E167 PolarHBondContact O-N 2.8Å
166L49.8Very low46.8Very low164 Ų164107.3 Ų107.386%0.85959%0.588SS**  trans-6698.4173.3-75160.9000107.7H164 P168 M169H164-L166 PolarHBondContact O-N 2.91Å; L166-P168 CarbonylContact O-C 3.6Å; L166-M169 PolarHBondContact O-N 2.81Å
167E47.2Very low48.4Very low132 Ų132106.6 Ų106.662%0.61758%0.58SS**SBendtrans-75.9137.3172.7-69.6-173.9161.300110.2P165 H181P165-E167 PolarHBondContact O-N 2.8Å; E167-H181 WeakPolarHBondContact OE1-CB 3.46Å; E167-H181 IonicContact OE1-CG 2.73Å
168P54.8Low49.7Very low124 Ų124100.7 Ų100.781%0.80555%0.551SS**SBendcis-85122.32.531.6-32.3000113.5L166L166-P168 CarbonylContact O-C 3.6Å
169M59.9Low51.4Low23 Ų2393.2 Ų93.211%0.11352%0.517CS..PPolyproline II helixtrans-88.9126.7173.6-177.3174.25900110.6L166 E173 T174 Q178 V179 P180L166-M169 PolarHBondContact O-N 2.81Å; M169-E173 HydrophobicContact CG-CB 4.46Å; M169-T174 HydrophobicContact CE-CG2 4.07Å; M169-T174 HydrophobicContact CG-CG2 4.41Å; M169-T174 HydrophobicContact SD-CG2 4.16Å; M169-Q178 HydrophobicContact CE-CB 4.03Å; M169-Q178 HydrophobicContact SD-CB 4.21Å; M169-V179 WeakPolarHBondContact CE-O 3.19Å; M169-P180 HydrophobicContact CE-CG 4.16Å; M169-P180 WeakPolarHBondContact O-CB 3.49Å; M169-P180 WeakPolarHBondContact O-CG 3.31Å
170L67.6Low53.1Low62 Ų6284.1 Ų84.133%0.32548%0.475SS..PPolyproline II helixtrans-84.8151174.7-67.3168.5000111.3S172 E173 T174 E209L170-S172 PolarHBondContact O-N 2.79Å; L170-E173 HydrophobicContact CB-CG 4.34Å; L170-E173 PolarHBondContact O-N 2.84Å; L170-T174 PolarHBondContact O-N 2.81Å; L170-E209 HydrophobicContact CD2-CB 3.99Å; L170-E209 HydrophobicContact CD2-CG 3.73Å
171C64.6Low55.2Low0 Ų081.5 Ų81.50%046%0.457CS..THydrogen-bonded Turntrans-58.6-14.3173.8-690000114.1T174 L205 L206 E209 L301C171-T174 PolarHBondContact O-OG1 3.01Å; C171-L205 VanDerWaalsContact SG-CD2 3.52Å; C171-L206 HydrophobicContact CB-CD2 3.67Å; C171-E209 WeakPolarHBondContact CB-OE1 3.46Å; C171-E209 PolarHBondContact N-OE1 3.14Å; C171-E209 PolarHBondContact SG-OE1 3.13Å; C171-L301 CarbonylContact O-C 3.47Å
172S58.1Low57.3Low35 Ų3579.3 Ų79.325%0.24544%0.442CS..THydrogen-bonded Turntrans-84.8-16.6173.546.60000114.2L170L170-S172 PolarHBondContact O-N 2.79Å
173E61.3Low59.7Low117 Ų11774.7 Ų74.755%0.54741%0.411SS..THydrogen-bonded Turntrans-106.3-6.3-174.9-65.3171178.800112.1M169 L170 E175M169-E173 HydrophobicContact CG-CB 4.46Å; L170-E173 HydrophobicContact CB-CG 4.34Å; L170-E173 PolarHBondContact O-N 2.84Å; E173-E175 PolarHBondContact O-N 2.92Å
174T59.6Low62Low10 Ų1074 Ų746%0.06140%0.4CS..  trans-61.4122.6175.155.90000110.9M169 L170 C171 Q178 P180 L301M169-T174 HydrophobicContact CE-CG2 4.07Å; M169-T174 HydrophobicContact CG-CG2 4.41Å; M169-T174 HydrophobicContact SD-CG2 4.16Å; L170-T174 PolarHBondContact O-N 2.81Å; C171-T174 PolarHBondContact O-OG1 3.01Å; T174-Q178 WeakPolarHBondContact CB-O 3.32Å; T174-Q178 WeakPolarHBondContact CG2-O 3.43Å; T174-P180 HydrophobicContact CG2-CG 3.96Å; T174-L301 HydrophobicContact CG2-CD2 4.27Å
175E60.9Low63.9Low149 Ų14968.6 Ų68.670%0.69638%0.377SS*.  trans-81157.7161.2-61.9-168.7161.100110E173 G177 Q178E173-E175 PolarHBondContact O-N 2.92Å; E175-G177 PolarHBondContact O-N 2.84Å; E175-Q178 PolarHBondContact O-N 2.8Å
176D54Low65.5Low156 Ų15665.5 Ų65.583%0.83436%0.357SS*.THydrogen-bonded Turntrans-59.3110.5-178-69.2-38.6000109.8
177G57.1Low67Low53 Ų5358.9 Ų58.955%0.54632%0.321SS..THydrogen-bonded Turntrans110.7-1.2-177.500000115.7E175 V295E175-G177 PolarHBondContact O-N 2.84Å; G177-V295 WeakPolarHBondContact O-CG1 3.32Å
178Q62.2Low68.6Low65 Ų6559.1 Ų59.130%0.30432%0.322SS..  trans-118.7135.7173.1-68.4-174.8-12.500111.4M169 T174 E175M169-Q178 HydrophobicContact CE-CB 4.03Å; M169-Q178 HydrophobicContact SD-CB 4.21Å; T174-Q178 WeakPolarHBondContact CB-O 3.32Å; T174-Q178 WeakPolarHBondContact CG2-O 3.43Å; E175-Q178 PolarHBondContact O-N 2.8Å
179V67.1Low69.8Low19 Ų1956 Ų5612%0.11530%0.303CS..  trans-126.3139.2-179167.20000110M169 L183 A294 V295 L301M169-V179 WeakPolarHBondContact CE-O 3.19Å; V179-L183 HydrophobicContact CG1-CB 3.65Å; V179-L183 HydrophobicContact CG1-CD2 3.6Å; V179-L183 HydrophobicContact CG1-CG 3.94Å; V179-A294 HydrophobicContact CG1-CB 3.85Å; V179-V295 HydrophobicContact CB-CG2 3.99Å; V179-V295 HydrophobicContact CG2-CB 4.3Å; V179-V295 HydrophobicContact CG2-CG2 3.93Å; V179-L301 HydrophobicContact CG2-CD2 4.49Å
180P74.6Confident70.6Confident4 Ų455.7 Ų55.73%0.02630%0.304CS..  trans-60.9139.5177.7-25.736.7000111.4M169 T174 S182 L183 E184M169-P180 HydrophobicContact CE-CG 4.16Å; M169-P180 WeakPolarHBondContact O-CB 3.49Å; M169-P180 WeakPolarHBondContact O-CG 3.31Å; T174-P180 HydrophobicContact CG2-CG 3.96Å; P180-S182 PolarHBondContact O-N 2.88Å; P180-S182 VanDerWaalsContact O-N 3.16Å; P180-L183 HydrophobicContact CB-CB 4.47Å; P180-L183 WeakPolarHBondContact O-CA 3.3Å; P180-L183 WeakPolarHBondContact O-CB 3.47Å; P180-L183 PolarHBondContact O-N 3.03Å; P180-E184 PolarHBondContact O-N 3.14Å
181H74.1Confident70.6Confident103 Ų10355.6 Ų55.648%0.47732%0.318SS..Hα-helixtrans-57.3-32.2177.1-173.965.6000112.5E167 L183 E184 T185E167-H181 WeakPolarHBondContact OE1-CB 3.46Å; E167-H181 IonicContact OE1-CG 2.73Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 3.35Å; H181-E184 PolarHBondContact O-N 2.9Å; H181-T185 WeakPolarHBondContact O-CB 3.3Å; H181-T185 WeakPolarHBondContact O-CG2 3.23Å; H181-T185 PolarHBondContact O-N 3.13Å; H181-T185 PolarHBondContact O-OG1 3.24Å
182S79.1Confident71.1Confident54 Ų5456.5 Ų56.538%0.37832%0.324SS..Hα-helixtrans-63.1-33.4171.3-52.50000113.4P180 T185 L186P180-S182 PolarHBondContact O-N 2.88Å; P180-S182 VanDerWaalsContact O-N 3.16Å; S182-T185 WeakPolarHBondContact CA-OG1 3.28Å; S182-T185 PolarHBondContact O-OG1 3.08Å; S182-T185 VanDerWaalsContact O-OG1 3.13Å; S182-L186 VanDerWaalsContact O-CB 3.25Å; S182-L186 WeakPolarHBondContact O-CB 3Å; S182-L186 WeakPolarHBondContact O-CD1 3.5Å; S182-L186 WeakPolarHBondContact O-CG 3.41Å; S182-L186 PolarHBondContact O-N 3.42Å; S182-L186 VanDerWaalsContact O-N 3.12Å
183L80.6Confident71.7Confident0 Ų059.1 Ų59.10%034%0.343CS..Hα-helixtrans-73.1-41176-172.359.1000111.1V179 P180 H181 L186 Y187 V201 L202 L205 Y298 L301V179-L183 HydrophobicContact CG1-CB 3.65Å; V179-L183 HydrophobicContact CG1-CD2 3.6Å; V179-L183 HydrophobicContact CG1-CG 3.94Å; P180-L183 HydrophobicContact CB-CB 4.47Å; P180-L183 WeakPolarHBondContact O-CA 3.3Å; P180-L183 WeakPolarHBondContact O-CB 3.47Å; P180-L183 PolarHBondContact O-N 3.03Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 3.35Å; L183-L186 PolarHBondContact O-N 3.24Å; L183-Y187 VanDerWaalsContact O-CB 3.22Å; L183-Y187 WeakPolarHBondContact O-CB 3.41Å; L183-Y187 PolarHBondContact O-N 3.2Å; L183-V201 HydrophobicContact CD1-CG1 4.11Å; L183-L202 HydrophobicContact CD1-CB 4.36Å; L183-L202 HydrophobicContact CD1-CD1 3.97Å; L183-L202 HydrophobicContact CD2-CD1 3.94Å; L183-L205 HydrophobicContact CB-CD2 3.49Å; L183-L205 VanDerWaalsContact CB-CD2 3.49Å; L183-L205 HydrophobicContact CD1-CB 4.44Å; L183-L205 HydrophobicContact CD1-CD2 3.73Å; L183-L205 HydrophobicContact CG-CD2 4.1Å; L183-Y298 HydrophobicContact CD1-CE2 4.12Å; L183-Y298 HydrophobicContact CD2-CD2 3.51Å; L183-Y298 HydrophobicContact CD2-CE2 3.6Å; L183-Y298 HydrophobicContact CD2-CG 4.14Å; L183-Y298 HydrophobicContact CG-CD2 4.25Å; L183-Y298 HydrophobicContact CG-CE2 3.84Å; L183-L301 HydrophobicContact CD2-CD2 3.9Å
184E80.3Confident72.5Confident68 Ų6855.6 Ų55.632%0.31833%0.331SS..Hα-helixtrans-65.1-47.8179.9-177.8167.5-152.800111.5P180 H181 L186 Y187 Q188 A294P180-E184 PolarHBondContact O-N 3.14Å; H181-E184 PolarHBondContact O-N 2.9Å; E184-L186 PolarHBondContact O-N 3.05Å; E184-Y187 PolarHBondContact O-N 3.32Å; E184-Q188 VanDerWaalsContact O-CG 3.3Å; E184-Q188 WeakPolarHBondContact O-CG 3.45Å; E184-Q188 PolarHBondContact O-N 3.43Å; E184-A294 HydrophobicContact CB-CB 4.26Å; E184-A294 HydrophobicContact CG-CB 4.47Å
185T81.7Confident73.6Confident36 Ų3657.9 Ų57.922%0.22134%0.342CS..Hα-helixtrans-61.3-43.6175.449.60000112H181 S182 Q188 S189H181-T185 WeakPolarHBondContact O-CB 3.3Å; H181-T185 WeakPolarHBondContact O-CG2 3.23Å; H181-T185 PolarHBondContact O-N 3.13Å; H181-T185 PolarHBondContact O-OG1 3.24Å; S182-T185 WeakPolarHBondContact CA-OG1 3.28Å; S182-T185 PolarHBondContact O-OG1 3.08Å; S182-T185 VanDerWaalsContact O-OG1 3.13Å; T185-Q188 PolarHBondContact O-N 3.38Å; T185-S189 WeakPolarHBondContact O-CB 3.44Å; T185-S189 PolarHBondContact O-N 2.94Å
186L81.6Confident74.7Confident1 Ų151.8 Ų51.81%0.00532%0.316CS..Hα-helixtrans-64.2-42175.9-75.8173.6000112.2S182 L183 E184 S189 A190 V201 L205 L208S182-L186 VanDerWaalsContact O-CB 3.25Å; S182-L186 WeakPolarHBondContact O-CB 3Å; S182-L186 WeakPolarHBondContact O-CD1 3.5Å; S182-L186 WeakPolarHBondContact O-CG 3.41Å; S182-L186 PolarHBondContact O-N 3.42Å; S182-L186 VanDerWaalsContact O-N 3.12Å; L183-L186 PolarHBondContact O-N 3.24Å; E184-L186 PolarHBondContact O-N 3.05Å; L186-S189 PolarHBondContact O-N 3.13Å; L186-S189 PolarHBondContact O-OG 3.48Å; L186-A190 VanDerWaalsContact O-CB 3.23Å; L186-A190 WeakPolarHBondContact O-CB 3.47Å; L186-A190 PolarHBondContact O-N 2.94Å; L186-V201 HydrophobicContact CB-CG1 3.78Å; L186-L205 HydrophobicContact CD1-CB 4.18Å; L186-L205 HydrophobicContact CD1-CD1 4.13Å; L186-L208 HydrophobicContact CD1-CD1 4.3Å
187Y81.1Confident76.3Confident26 Ų2644.5 Ų44.510%0.10228%0.277CS..Hα-helixtrans-63.1-43.6178.5-177-104.4000111.9L183 E184 A190 G191 C192 A198 V297 Y298L183-Y187 VanDerWaalsContact O-CB 3.22Å; L183-Y187 WeakPolarHBondContact O-CB 3.41Å; L183-Y187 PolarHBondContact O-N 3.2Å; E184-Y187 PolarHBondContact O-N 3.32Å; Y187-A190 PolarHBondContact O-N 3.27Å; Y187-G191 PolarHBondContact O-N 2.91Å; Y187-C192 HydrophobicContact CD2-CB 4.23Å; Y187-C192 VanDerWaalsContact CD2-SG 3.55Å; Y187-C192 HydrophobicContact CE2-CB 3.64Å; Y187-C192 VanDerWaalsContact CE2-SG 3.58Å; Y187-A198 HydrophobicContact CE2-CB 4.08Å; Y187-V297 HydrophobicContact CE1-CG2 4.34Å; Y187-V297 HydrophobicContact CE2-CG1 4.16Å; Y187-Y298 HydrophobicContact CD2-CE2 4.32Å; Y187-Y298 WeakPolarHBondContact CD2-OH 3.3Å
188Q80.7Confident77.6Confident136 Ų13642 Ų4264%0.63625%0.251SS*.Hα-helixtrans-63.3-41.3174.1-69.8175.310.600111.6E184 T185 A190E184-Q188 VanDerWaalsContact O-CG 3.3Å; E184-Q188 WeakPolarHBondContact O-CG 3.45Å; E184-Q188 PolarHBondContact O-N 3.43Å; T185-Q188 PolarHBondContact O-N 3.38Å; Q188-A190 VanDerWaalsContact C-N 3.3Å; Q188-A190 PolarHBondContact O-N 3.27Å
189S79.4Confident78.8Confident59 Ų5938.9 Ų38.941%0.41324%0.237SC..Hα-helixtrans-66.9-30.2177.582.30000113.3T185 L186T185-S189 WeakPolarHBondContact O-CB 3.44Å; T185-S189 PolarHBondContact O-N 2.94Å; L186-S189 PolarHBondContact O-N 3.13Å; L186-S189 PolarHBondContact O-OG 3.48Å
190A76.4Confident79.8Confident17 Ų1738 Ų3814%0.1423%0.231CC..Hα-helixtrans-83.4-21.3-171.700000113.6L186 Y187 Q188 C192 V201 M224 W228L186-A190 VanDerWaalsContact O-CB 3.23Å; L186-A190 WeakPolarHBondContact O-CB 3.47Å; L186-A190 PolarHBondContact O-N 2.94Å; Y187-A190 PolarHBondContact O-N 3.27Å; Q188-A190 VanDerWaalsContact C-N 3.3Å; Q188-A190 PolarHBondContact O-N 3.27Å; A190-C192 PolarHBondContact O-N 3.4Å; A190-V201 HydrophobicContact CB-CG2 3.52Å; A190-M224 HydrophobicContact CB-CG 3.75Å; A190-W228 HydrophobicContact CB-CZ2 4.35Å
191G69.4Low80.5Confident60 Ų6037.8 Ų37.862%0.61923%0.23SC*.THydrogen-bonded Turntrans54.152.7-178.600000112.4Y187 S193Y187-G191 PolarHBondContact O-N 2.91Å; G191-S193 PolarHBondContact O-N 2.65Å
192C73.3Confident81.2Confident19 Ų1933 Ų3313%0.12821%0.208CC..  trans-59.2126.4-171.4-640000112Y187 A190 D197 V288Y187-C192 HydrophobicContact CD2-CB 4.23Å; Y187-C192 VanDerWaalsContact CD2-SG 3.55Å; Y187-C192 HydrophobicContact CE2-CB 3.64Å; Y187-C192 VanDerWaalsContact CE2-SG 3.58Å; A190-C192 PolarHBondContact O-N 3.4Å; C192-D197 HydrophobicContact CB-CB 3.95Å; C192-V288 HydrophobicContact CB-CG1 4.14Å; C192-V288 VanDerWaalsContact O-CG1 3.31Å; C192-V288 WeakPolarHBondContact O-CG1 3.45Å
193S71.1Confident81.7Confident90 Ų9030.4 Ų30.463%0.62919%0.19SC*.  trans-104.1-14.2179.161.10000113.3G191 D197 K229G191-S193 PolarHBondContact O-N 2.65Å; S193-D197 PolarHBondContact N-OD2 2.81Å; S193-D197 PolarHBondContact OG-OD2 2.84Å; S193-K229 PolarHBondContact OG-NZ 3.45Å; S193-K229 VanDerWaalsContact OG-NZ 3.17Å
194S77.9Confident82.1Confident43 Ų4330.6 Ų30.630%0.30119%0.19SC..SBendtrans-140.1149.9-172.9168.50000110.4S196 D197 A198S194-S196 PolarHBondContact O-N 3.48Å; S194-S196 VanDerWaalsContact O-N 3.13Å; S194-S196 WeakPolarHBondContact OG-CB 3.23Å; S194-S196 PolarHBondContact OG-N 2.99Å; S194-S196 VanDerWaalsContact OG-N 3.08Å; S194-D197 PolarHBondContact N-OD2 2.91Å; S194-D197 WeakPolarHBondContact O-CA 3.37Å; S194-D197 VanDerWaalsContact O-CB 3.3Å; S194-D197 WeakPolarHBondContact O-CB 3.34Å; S194-D197 PolarHBondContact O-N 2.86Å; S194-A198 PolarHBondContact O-N 3.32Å
195I82.6Confident82.5Confident57 Ų5727.7 Ų27.729%0.29218%0.177SC..Hα-helixtrans-52-34169.4-56.1176.3000110.7L199 P281 V285 V288I195-L199 PolarHBondContact O-N 3.42Å; I195-L199 VanDerWaalsContact O-N 3.15Å; I195-P281 HydrophobicContact CG2-CB 3.62Å; I195-V285 HydrophobicContact CB-CG1 4.39Å; I195-V285 HydrophobicContact CG2-CB 3.62Å; I195-V285 HydrophobicContact CG2-CG1 3.67Å; I195-V285 HydrophobicContact CG2-CG2 4.42Å; I195-V288 HydrophobicContact CG1-CG2 4.36Å
196S84.4Confident82.9Confident22 Ų2226 Ų2615%0.15417%0.167CC..Hα-helixtrans-66.3-42.8175.5-59.40000111.8S194 A198 L199 I200S194-S196 PolarHBondContact O-N 3.48Å; S194-S196 VanDerWaalsContact O-N 3.13Å; S194-S196 WeakPolarHBondContact OG-CB 3.23Å; S194-S196 PolarHBondContact OG-N 2.99Å; S194-S196 VanDerWaalsContact OG-N 3.08Å; S196-A198 VanDerWaalsContact C-N 3.33Å; S196-A198 PolarHBondContact O-N 3.47Å; S196-L199 PolarHBondContact O-N 3.25Å; S196-I200 VanDerWaalsContact O-CG1 3.3Å; S196-I200 WeakPolarHBondContact O-CG1 3.48Å; S196-I200 PolarHBondContact O-N 2.84Å
197D87.2Confident83.2Confident3 Ų326 Ų262%0.01617%0.166CC..Hα-helixtrans-59.5-45.9178.5-64.4-23000110.4C192 S193 S194 L199 I200 V201 W228 K229 Y234C192-D197 HydrophobicContact CB-CB 3.95Å; S193-D197 PolarHBondContact N-OD2 2.81Å; S193-D197 PolarHBondContact OG-OD2 2.84Å; S194-D197 PolarHBondContact N-OD2 2.91Å; S194-D197 WeakPolarHBondContact O-CA 3.37Å; S194-D197 VanDerWaalsContact O-CB 3.3Å; S194-D197 WeakPolarHBondContact O-CB 3.34Å; S194-D197 PolarHBondContact O-N 2.86Å; D197-L199 PolarHBondContact O-N 3.32Å; D197-I200 PolarHBondContact O-N 2.72Å; D197-I200 VanDerWaalsContact O-N 3.14Å; D197-V201 WeakPolarHBondContact O-CG2 3.34Å; D197-V201 PolarHBondContact O-N 3.05Å; D197-W228 HydrophobicContact CB-CH2 4.02Å; D197-K229 VanDerWaalsContact CG-NZ 3.33Å; D197-K229 IonicContact OD1-NZ 3.89Å; D197-K229 PolarHBondContact OD1-NZ 3.04Å; D197-K229 IonicContact OD2-NZ 2.9Å; D197-K229 PolarHBondContact OD2-NZ 3.27Å; D197-Y234 VanDerWaalsContact OD1-CE1 3.26Å; D197-Y234 WeakPolarHBondContact OD1-CE1 3.49Å; D197-Y234 VanDerWaalsContact OD1-CZ 3.31Å; D197-Y234 PolarHBondContact OD1-OH 3.32Å
198A85.4Confident83.6Confident0 Ų026.3 Ų26.30%017%0.17CC..Hα-helixtrans-60.1-44.4177.600000112Y187 S194 S196 I200 V201 L202 V285 V288 V297 Y298Y187-A198 HydrophobicContact CE2-CB 4.08Å; S194-A198 PolarHBondContact O-N 3.32Å; S196-A198 VanDerWaalsContact C-N 3.33Å; S196-A198 PolarHBondContact O-N 3.47Å; A198-I200 VanDerWaalsContact C-N 3.28Å; A198-I200 PolarHBondContact O-N 3.18Å; A198-V201 PolarHBondContact O-N 3.4Å; A198-L202 PolarHBondContact O-N 2.76Å; A198-L202 VanDerWaalsContact O-N 3.09Å; A198-V285 HydrophobicContact CB-CG1 4.09Å; A198-V285 HydrophobicContact CB-CG2 4.29Å; A198-V288 HydrophobicContact CB-CG2 3.88Å; A198-V297 HydrophobicContact CB-CG1 4.3Å; A198-Y298 HydrophobicContact CB-CE1 4.05Å; A198-Y298 WeakPolarHBondContact O-CE1 3.38Å; A198-Y298 PolarHBondContact O-OH 3.42Å; A198-Y298 VanDerWaalsContact O-OH 3.04Å
199L87.5Confident83.9Confident0 Ų022 Ų220%015%0.15CC..Hα-helixtrans-61.6-38.2176.3-172.468000111.9I195 S196 D197 L202 V203 I259 L279 P281 Y284 V285 L304I195-L199 PolarHBondContact O-N 3.42Å; I195-L199 VanDerWaalsContact O-N 3.15Å; S196-L199 PolarHBondContact O-N 3.25Å; D197-L199 PolarHBondContact O-N 3.32Å; L199-L202 PolarHBondContact O-N 2.92Å; L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 3.34Å; L199-I259 HydrophobicContact CD2-CD1 4.06Å; L199-L279 HydrophobicContact CD2-CB 3.97Å; L199-L279 HydrophobicContact CD2-CD1 4.18Å; L199-P281 HydrophobicContact CD2-CB 4.18Å; L199-P281 HydrophobicContact CD2-CG 3.97Å; L199-Y284 HydrophobicContact CD1-CD2 4.48Å; L199-V285 HydrophobicContact CB-CG2 4.41Å; L199-L304 HydrophobicContact CD1-CD2 3.68Å
200I88.4Confident84.2Confident0 Ų020.4 Ų20.40%014%0.139CC..Hα-helixtrans-69.1-36.5178.7-62.6-52.9000112.1S196 D197 A198 L202 V203 H204 M224 W228 Y234 L236 C252 I259S196-I200 VanDerWaalsContact O-CG1 3.3Å; S196-I200 WeakPolarHBondContact O-CG1 3.48Å; S196-I200 PolarHBondContact O-N 2.84Å; D197-I200 PolarHBondContact O-N 2.72Å; D197-I200 VanDerWaalsContact O-N 3.14Å; A198-I200 VanDerWaalsContact C-N 3.28Å; A198-I200 PolarHBondContact O-N 3.18Å; I200-L202 VanDerWaalsContact C-N 3.3Å; I200-L202 PolarHBondContact O-N 3.28Å; I200-V203 PolarHBondContact O-N 2.77Å; I200-H204 WeakPolarHBondContact O-CB 3.39Å; I200-H204 PolarHBondContact O-N 3.33Å; I200-M224 HydrophobicContact CG2-CE 4.5Å; I200-W228 HydrophobicContact CB-CZ3 4.01Å; I200-W228 HydrophobicContact CG2-CE3 3.77Å; I200-W228 HydrophobicContact CG2-CZ3 3.72Å; I200-Y234 HydrophobicContact CB-CD1 4.36Å; I200-Y234 HydrophobicContact CB-CG 4.45Å; I200-Y234 HydrophobicContact CD1-CD2 4.12Å; I200-Y234 HydrophobicContact CD1-CG 4.29Å; I200-Y234 HydrophobicContact CG1-CD1 3.99Å; I200-Y234 HydrophobicContact CG1-CD2 3.7Å; I200-Y234 HydrophobicContact CG1-CE1 4.21Å; I200-Y234 HydrophobicContact CG1-CE2 3.97Å; I200-Y234 HydrophobicContact CG1-CG 3.7Å; I200-Y234 HydrophobicContact CG2-CD1 4.11Å; I200-Y234 HydrophobicContact CG2-CG 4.18Å; I200-L236 HydrophobicContact CG2-CD1 3.9Å; I200-C252 HydrophobicContact CD1-CB 3.46Å; I200-C252 VanDerWaalsContact CD1-CB 3.46Å; I200-I259 HydrophobicContact CD1-CG2 4.34Å
201V88.3Confident84.6Confident0 Ų021.2 Ų21.20%015%0.148CC..Hα-helixtrans-59.7-44.1171.8173.20000110.4L183 L186 A190 D197 A198 H204 L205 M224L183-V201 HydrophobicContact CD1-CG1 4.11Å; L186-V201 HydrophobicContact CB-CG1 3.78Å; A190-V201 HydrophobicContact CB-CG2 3.52Å; D197-V201 WeakPolarHBondContact O-CG2 3.34Å; D197-V201 PolarHBondContact O-N 3.05Å; A198-V201 PolarHBondContact O-N 3.4Å; V201-H204 WeakPolarHBondContact O-CB 3.08Å; V201-H204 PolarHBondContact O-N 2.96Å; V201-L205 PolarHBondContact O-N 2.83Å; V201-M224 HydrophobicContact CG2-CE 4.34Å; V201-M224 HydrophobicContact CG2-CG 4.43Å; V201-M224 HydrophobicContact CG2-SD 4.01Å
202L88.2Confident85.4Confident2 Ų218.6 Ų18.61%0.0112%0.12CC..Hα-helixtrans-65-43.4176.3-176.754.5000112.2L183 A198 L199 I200 H204 L205 L206 Y298 L304L183-L202 HydrophobicContact CD1-CB 4.36Å; L183-L202 HydrophobicContact CD1-CD1 3.97Å; L183-L202 HydrophobicContact CD2-CD1 3.94Å; A198-L202 PolarHBondContact O-N 2.76Å; A198-L202 VanDerWaalsContact O-N 3.09Å; L199-L202 PolarHBondContact O-N 2.92Å; I200-L202 VanDerWaalsContact C-N 3.3Å; I200-L202 PolarHBondContact O-N 3.28Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.19Å; L202-L205 PolarHBondContact O-N 2.71Å; L202-L206 WeakPolarHBondContact O-CG 3.3Å; L202-L206 PolarHBondContact O-N 2.88Å; L202-Y298 HydrophobicContact CB-CE1 3.98Å; L202-Y298 HydrophobicContact CD2-CD1 3.79Å; L202-Y298 HydrophobicContact CD2-CE1 4.1Å; L202-L304 HydrophobicContact CD2-CD2 3.45Å; L202-L304 VanDerWaalsContact CD2-CD2 3.45Å; L202-L304 HydrophobicContact CG-CD2 4.17Å
203V89.8Confident86.1Confident0 Ų020.7 Ų20.70%013%0.129CC..Hα-helixtrans-58.2-42.1173.7163.80000111.3L199 I200 L206 M207 I261 L279 F308L199-V203 VanDerWaalsContact O-CG2 3.31Å; L199-V203 WeakPolarHBondContact O-CG2 3.27Å; L199-V203 PolarHBondContact O-N 3.34Å; I200-V203 PolarHBondContact O-N 2.77Å; V203-L206 PolarHBondContact O-N 2.87Å; V203-M207 WeakPolarHBondContact O-CG 3.38Å; V203-M207 PolarHBondContact O-N 2.8Å; V203-M207 VanDerWaalsContact O-N 3.12Å; V203-I261 HydrophobicContact CG1-CD1 4.26Å; V203-I261 HydrophobicContact CG2-CD1 3.67Å; V203-L279 HydrophobicContact CG2-CD1 4.37Å; V203-F308 HydrophobicContact CB-CZ 4.43Å; V203-F308 HydrophobicContact CG1-CE1 4.17Å; V203-F308 HydrophobicContact CG1-CE2 4.02Å; V203-F308 HydrophobicContact CG1-CZ 3.55Å; V203-F308 HydrophobicContact CG2-CD2 4.5Å; V203-F308 HydrophobicContact CG2-CE2 4.14Å; V203-F308 HydrophobicContact CG2-CZ 4.37Å
204H89.3Confident86.9Confident3 Ų316.9 Ų16.91%0.01410%0.103CC..Hα-helixtrans-60.8-46.8176.2177.333.9000111.2I200 V201 L202 L206 M207 L208 M224 Y238I200-H204 WeakPolarHBondContact O-CB 3.39Å; I200-H204 PolarHBondContact O-N 3.33Å; V201-H204 WeakPolarHBondContact O-CB 3.08Å; V201-H204 PolarHBondContact O-N 2.96Å; L202-H204 VanDerWaalsContact C-N 3.28Å; L202-H204 PolarHBondContact O-N 3.19Å; H204-L206 PolarHBondContact O-N 2.84Å; H204-M207 WeakPolarHBondContact O-CB 3.46Å; H204-M207 PolarHBondContact O-N 2.91Å; H204-L208 WeakPolarHBondContact O-CG 3.43Å; H204-L208 PolarHBondContact O-N 2.77Å; H204-L208 VanDerWaalsContact O-N 3.09Å; H204-M224 HydrophobicContact CB-CE 4.3Å; H204-M224 HydrophobicContact CB-SD 4.16Å; H204-M224 PolarHBondContact CD2-SD 2.82Å; H204-Y238 AromaticContact CE1-CE1 3.87Å; H204-Y238 AromaticContact ND1-CE1 3.55Å; H204-Y238 AromaticContact ND1-CZ 3.66Å; H204-Y238 PolarHBondContact ND1-OH 3.22Å
205L88.8Confident87Confident7 Ų719.9 Ų19.94%0.03711%0.112CC..Hα-helixtrans-60.4-43.9177.1179.863.1000111.9C171 L183 L186 V201 L202 M207 L208 E209C171-L205 VanDerWaalsContact SG-CD2 3.52Å; L183-L205 HydrophobicContact CB-CD2 3.49Å; L183-L205 VanDerWaalsContact CB-CD2 3.49Å; L183-L205 HydrophobicContact CD1-CB 4.44Å; L183-L205 HydrophobicContact CD1-CD2 3.73Å; L183-L205 HydrophobicContact CG-CD2 4.1Å; L186-L205 HydrophobicContact CD1-CB 4.18Å; L186-L205 HydrophobicContact CD1-CD1 4.13Å; V201-L205 PolarHBondContact O-N 2.83Å; L202-L205 PolarHBondContact O-N 2.71Å; L205-M207 PolarHBondContact O-N 3Å; L205-L208 WeakPolarHBondContact O-CA 3.25Å; L205-L208 WeakPolarHBondContact O-CB 3.31Å; L205-L208 PolarHBondContact O-N 3.05Å; L205-E209 HydrophobicContact CD1-CG 4.45Å; L205-E209 HydrophobicContact CG-CG 4.42Å; L205-E209 WeakPolarHBondContact O-CG 3.42Å; L205-E209 PolarHBondContact O-N 2.79Å
206L89.4Confident86.2Confident1 Ų119.6 Ų19.61%0.00512%0.122CC..Hα-helixtrans-60.8-33.5178-67.9174.4000112.7C171 L202 V203 H204 S210 S305 F308C171-L206 HydrophobicContact CB-CD2 3.67Å; L202-L206 WeakPolarHBondContact O-CG 3.3Å; L202-L206 PolarHBondContact O-N 2.88Å; V203-L206 PolarHBondContact O-N 2.87Å; H204-L206 PolarHBondContact O-N 2.84Å; L206-S210 WeakPolarHBondContact O-CB 2.97Å; L206-S210 PolarHBondContact O-N 3.28Å; L206-S210 PolarHBondContact O-OG 3.14Å; L206-S305 WeakPolarHBondContact CD2-OG 3.3Å; L206-F308 HydrophobicContact CB-CD1 3.84Å; L206-F308 HydrophobicContact CB-CE1 4.15Å; L206-F308 HydrophobicContact CD1-CB 3.95Å; L206-F308 HydrophobicContact CD1-CD1 3.74Å; L206-F308 HydrophobicContact CD1-CG 4.03Å; L206-F308 HydrophobicContact CG-CD1 4.46Å
207M89.4Confident85Confident0 Ų019.6 Ų19.60%012%0.122CC..Hα-helixtrans-67.5-43.5172.4-69.8-63.3-66.400111.5V203 H204 L205 S210 Y212 Y238 L250 F308 V313 L316V203-M207 WeakPolarHBondContact O-CG 3.38Å; V203-M207 PolarHBondContact O-N 2.8Å; V203-M207 VanDerWaalsContact O-N 3.12Å; H204-M207 WeakPolarHBondContact O-CB 3.46Å; H204-M207 PolarHBondContact O-N 2.91Å; L205-M207 PolarHBondContact O-N 3Å; M207-S210 PolarHBondContact O-N 3.36Å; M207-Y212 HydrophobicContact CE-CD1 3.74Å; M207-Y212 HydrophobicContact CE-CD2 3.5Å; M207-Y212 VanDerWaalsContact CE-CD2 3.5Å; M207-Y212 HydrophobicContact CE-CE1 3.96Å; M207-Y212 HydrophobicContact CE-CE2 3.76Å; M207-Y212 HydrophobicContact CE-CG 3.49Å; M207-Y212 VanDerWaalsContact CE-CG 3.49Å; M207-Y212 WeakPolarHBondContact O-CB 3.48Å; M207-Y212 PolarHBondContact O-N 3.4Å; M207-Y212 VanDerWaalsContact O-N 3.13Å; M207-Y212 HydrophobicContact SD-CD2 4.32Å; M207-Y238 HydrophobicContact CB-CD1 4.49Å; M207-Y238 HydrophobicContact CB-CE1 4.04Å; M207-Y238 HydrophobicContact CB-CE2 4.44Å; M207-Y238 HydrophobicContact CE-CD2 4.03Å; M207-Y238 HydrophobicContact CE-CE2 4.39Å; M207-Y238 HydrophobicContact CE-CG 4.28Å; M207-Y238 HydrophobicContact CG-CE2 4.22Å; M207-L250 HydrophobicContact CE-CD1 3.63Å; M207-L250 HydrophobicContact CG-CD1 3.61Å; M207-L250 HydrophobicContact SD-CD1 3.63Å; M207-F308 HydrophobicContact CG-CE1 4.21Å; M207-F308 HydrophobicContact SD-CE1 4.01Å; M207-F308 HydrophobicContact SD-CZ 4.38Å; M207-V313 HydrophobicContact SD-CG1 4.17Å; M207-V313 HydrophobicContact SD-CG2 3.78Å; M207-L316 HydrophobicContact CE-CD2 3.98Å
208L88Confident83.4Confident34 Ų3428.9 Ų28.918%0.17817%0.165CC..Hα-helixtrans-61.2-47.3176.7-64.5179000111.9L186 H204 L205 S210 G211 Y212 P214L186-L208 HydrophobicContact CD1-CD1 4.3Å; H204-L208 WeakPolarHBondContact O-CG 3.43Å; H204-L208 PolarHBondContact O-N 2.77Å; H204-L208 VanDerWaalsContact O-N 3.09Å; L205-L208 WeakPolarHBondContact O-CA 3.25Å; L205-L208 WeakPolarHBondContact O-CB 3.31Å; L205-L208 PolarHBondContact O-N 3.05Å; L208-S210 PolarHBondContact O-N 2.85Å; L208-S210 VanDerWaalsContact O-N 3.15Å; L208-G211 PolarHBondContact O-N 2.88Å; L208-Y212 WeakPolarHBondContact CD2-O 3.37Å; L208-P214 VanDerWaalsContact CD2-CD 3.5Å; L208-P214 HydrophobicContact CD2-CG 4Å
209E87.3Confident81.9Confident44 Ų4431.1 Ų31.121%0.20618%0.184CC..Hα-helixtrans-57.9-29176.7-72.8-175.6176.700112.8L170 C171 L205 G211 K309L170-E209 HydrophobicContact CD2-CB 3.99Å; L170-E209 HydrophobicContact CD2-CG 3.73Å; C171-E209 WeakPolarHBondContact CB-OE1 3.46Å; C171-E209 PolarHBondContact N-OE1 3.14Å; C171-E209 PolarHBondContact SG-OE1 3.13Å; L205-E209 HydrophobicContact CD1-CG 4.45Å; L205-E209 HydrophobicContact CG-CG 4.42Å; L205-E209 WeakPolarHBondContact O-CG 3.42Å; L205-E209 PolarHBondContact O-N 2.79Å; E209-G211 PolarHBondContact O-N 2.84Å; E209-K309 IonicContact OE2-NZ 3.03Å; E209-K309 PolarHBondContact OE2-NZ 3.18Å
210S85.3Confident80.5Confident27 Ų2738.1 Ų38.119%0.18921%0.214CC..THydrogen-bonded Turntrans-86.25.4-179.9-53.10000113L206 M207 L208 H240 V313L206-S210 WeakPolarHBondContact O-CB 2.97Å; L206-S210 PolarHBondContact O-N 3.28Å; L206-S210 PolarHBondContact O-OG 3.14Å; M207-S210 PolarHBondContact O-N 3.36Å; L208-S210 PolarHBondContact O-N 2.85Å; L208-S210 VanDerWaalsContact O-N 3.15Å; S210-H240 PolarHBondContact O-NE2 3.27Å; S210-V313 VanDerWaalsContact CB-CG1 3.46Å
211G85.2Confident78.9Confident33 Ų3340.6 Ų40.634%0.3423%0.234SC..THydrogen-bonded Turntrans917.9176.500000115.1L208 E209 P241L208-G211 PolarHBondContact O-N 2.88Å; E209-G211 PolarHBondContact O-N 2.84Å; G211-P241 VanDerWaalsContact O-CD 3.29Å; G211-P241 WeakPolarHBondContact O-CD 3.31Å
212Y87.6Confident77.7Confident6 Ų644.9 Ų44.92%0.02426%0.261CS..  trans-79.3138.7174.7-71.2-94000111.4M207 L208 H240 A248 V313 L316 L317M207-Y212 HydrophobicContact CE-CD1 3.74Å; M207-Y212 HydrophobicContact CE-CD2 3.5Å; M207-Y212 VanDerWaalsContact CE-CD2 3.5Å; M207-Y212 HydrophobicContact CE-CE1 3.96Å; M207-Y212 HydrophobicContact CE-CE2 3.76Å; M207-Y212 HydrophobicContact CE-CG 3.49Å; M207-Y212 VanDerWaalsContact CE-CG 3.49Å; M207-Y212 WeakPolarHBondContact O-CB 3.48Å; M207-Y212 PolarHBondContact O-N 3.4Å; M207-Y212 VanDerWaalsContact O-N 3.13Å; M207-Y212 HydrophobicContact SD-CD2 4.32Å; L208-Y212 WeakPolarHBondContact CD2-O 3.37Å; Y212-H240 HydrophobicContact CD1-CB 3.94Å; Y212-H240 AromaticContact CD1-CD2 3.88Å; Y212-H240 AromaticContact CD2-CD2 3.83Å; Y212-H240 HydrophobicContact CE1-CB 3.96Å; Y212-H240 AromaticContact CE1-CD2 3.92Å; Y212-H240 AromaticContact CE2-CD2 3.84Å; Y212-H240 AromaticContact CG-CD2 3.85Å; Y212-H240 AromaticContact CZ-CD2 3.92Å; Y212-A248 HydrophobicContact CE1-CB 4.26Å; Y212-V313 HydrophobicContact CD2-CG1 4.19Å; Y212-V313 HydrophobicContact CE2-CG1 3.53Å; Y212-V313 PolarHBondContact OH-O 2.83Å; Y212-L316 HydrophobicContact CE1-CD2 4.22Å; Y212-L317 HydrophobicContact CE2-CD1 4.42Å; Y212-L317 PolarHBondContact OH-N 3.1Å
213I87.2Confident76.8Confident63 Ų6347 Ų4732%0.32328%0.275SS..EExtended strand (participates in β ladder)trans-106.5121-179.9-55.2170.3000108.3Y238 T239I213-Y238 CarbonylContact O-C 3.59Å; I213-Y238 WeakPolarHBondContact O-CA 3.43Å; I213-T239 PolarHBondContact N-O 3.34Å; I213-T239 PolarHBondContact O-N 3.01Å; I213-T239 PolarHBondContact O-OG1 3.5Å
214P87.6Confident76.3Confident10 Ų1047.8 Ų47.87%0.06528%0.279CS..EExtended strand (participates in β ladder)trans-69.8140-179.729-32.7000110.5L208 P225 H237 Y238L208-P214 VanDerWaalsContact CD2-CD 3.5Å; L208-P214 HydrophobicContact CD2-CG 4Å; P214-P225 HydrophobicContact CB-CG 3.9Å; P214-H237 CarbonylContact C-O 3.52Å; P214-H237 WeakPolarHBondContact CA-O 3.31Å; P214-Y238 HydrophobicContact CB-CD1 4.13Å; P214-Y238 HydrophobicContact CB-CE1 4Å
215Q79.7Confident75.8Confident106 Ų10647.9 Ų47.950%0.49528%0.28SS..THydrogen-bonded Turntrans-90.4122.1174.7-167.2172.924.400109H237Q215-H237 HydrophobicContact CB-CB 3.89Å; Q215-H237 PolarHBondContact N-O 2.95Å
216G65.4Low75Confident50 Ų5055.1 Ų55.152%0.51531%0.314SS..THydrogen-bonded Turntrans110.87.6176.400000116.4
217T59.9Low74.4Confident22 Ų2263.1 Ų63.114%0.13535%0.348CS..  trans-133.4120.9172.5-65.20000110.8A219 S223 P225T217-A219 VanDerWaalsContact C-N 3.3Å; T217-A219 HydrophobicContact CG2-CB 4.16Å; T217-A219 WeakPolarHBondContact CG2-O 3.44Å; T217-S223 WeakPolarHBondContact CG2-OG 3.24Å; T217-P225 VanDerWaalsContact OG1-CA 3.3Å; T217-P225 WeakPolarHBondContact OG1-CA 3.2Å
218E53.5Low74Confident199 Ų19964.7 Ų64.793%0.9335%0.354SS*.SBendtrans-69.2-28.8176.2-63.8-100.814300111.7K220E218-K220 PolarHBondContact O-N 3.2Å
219A54.3Low73.7Confident47 Ų4767.4 Ų67.439%0.38837%0.365SS..SBendtrans-9182.6178.300000112.1T217 A221 V222T217-A219 VanDerWaalsContact C-N 3.3Å; T217-A219 HydrophobicContact CG2-CB 4.16Å; T217-A219 WeakPolarHBondContact CG2-O 3.44Å; A219-A221 PolarHBondContact O-N 3.45Å; A219-V222 PolarHBondContact O-N 3.19Å
220K58.2Low73.2Confident146 Ų14667.8 Ų67.864%0.63537%0.372SS*.THydrogen-bonded Turntrans-59.23.1-167.2-65.3175-179.5174.60118.2E218E218-K220 PolarHBondContact O-N 3.2Å
221A54.9Low72.3Confident52 Ų5272.8 Ų72.843%0.4341%0.407SS..THydrogen-bonded Turntrans-151.90.4-177.800000115.2A219A219-A221 PolarHBondContact O-N 3.45Å
222V62.2Low72Confident91 Ų9173.3 Ų73.355%0.55241%0.412SS*.THydrogen-bonded Turntrans-119.6-20.1-164.5-174.40000113A219A219-V222 PolarHBondContact O-N 3.19Å
223S70.4Confident71.9Confident45 Ų4575.5 Ų75.532%0.31543%0.427SS..SBendtrans-141.4150.4-178.460.40000113.4T217T217-S223 WeakPolarHBondContact CG2-OG 3.24Å
224M78.1Confident72Confident18 Ų1873 Ų739%0.08941%0.413CS..PPolyproline II helixtrans-64.2146.4173.8-73.8-64.8-68.300112A190 I200 V201 H204 W228 L236A190-M224 HydrophobicContact CB-CG 3.75Å; I200-M224 HydrophobicContact CG2-CE 4.5Å; V201-M224 HydrophobicContact CG2-CE 4.34Å; V201-M224 HydrophobicContact CG2-CG 4.43Å; V201-M224 HydrophobicContact CG2-SD 4.01Å; H204-M224 HydrophobicContact CB-CE 4.3Å; H204-M224 HydrophobicContact CB-SD 4.16Å; H204-M224 PolarHBondContact CD2-SD 2.82Å; M224-W228 HydrophobicContact CB-CG 4.3Å; M224-W228 HydrophobicContact CE-CB 4.23Å; M224-W228 HydrophobicContact CE-CD2 3.44Å; M224-W228 VanDerWaalsContact CE-CD2 3.44Å; M224-W228 HydrophobicContact CE-CE3 3.48Å; M224-W228 VanDerWaalsContact CE-CE3 3.48Å; M224-W228 HydrophobicContact CE-CG 3.8Å; M224-W228 HydrophobicContact CE-CH2 4.4Å; M224-W228 HydrophobicContact CE-CZ2 4.38Å; M224-W228 HydrophobicContact CE-CZ3 3.98Å; M224-L236 HydrophobicContact CE-CD2 4.35Å
225P78.7Confident72.1Confident5 Ų577.2 Ų77.23%0.03243%0.431CS..PPolyproline II helixtrans-57.2143.1176.2-27.136.7000114.3P214 T217 K227 W228 L236P214-P225 HydrophobicContact CB-CG 3.9Å; T217-P225 VanDerWaalsContact OG1-CA 3.3Å; T217-P225 WeakPolarHBondContact OG1-CA 3.2Å; P225-K227 PolarHBondContact O-N 2.87Å; P225-W228 WeakPolarHBondContact O-CB 3.46Å; P225-W228 PolarHBondContact O-N 3.15Å; P225-L236 HydrophobicContact CB-CD2 4.26Å; P225-L236 HydrophobicContact CG-CD2 3.78Å
226E73.4Confident72.6Confident159 Ų15972.2 Ų72.274%0.74341%0.407SS*.THydrogen-bonded Turntrans-57.5137.9174.4-65.3-171.2178.400111.3W228E226-W228 PolarHBondContact O-N 2.96Å
227K75.2Confident73.7Confident169 Ų16972.7 Ų72.774%0.73540%0.396SS*.THydrogen-bonded Turntrans6120.8179.8-54174.1-178171.70115.1P225 K229 S230P225-K227 PolarHBondContact O-N 2.87Å; K227-K229 PolarHBondContact O-N 3.3Å; K227-K229 VanDerWaalsContact O-N 3.13Å; K227-S230 PolarHBondContact O-OG 3.09Å
228W81.8Confident75.2Confident32 Ų3271.6 Ų71.612%0.12139%0.389CS..  trans-55.8-29.9176.270.8-82.7000113.6A190 D197 I200 M224 P225 E226 Y234 K235 L236A190-W228 HydrophobicContact CB-CZ2 4.35Å; D197-W228 HydrophobicContact CB-CH2 4.02Å; I200-W228 HydrophobicContact CB-CZ3 4.01Å; I200-W228 HydrophobicContact CG2-CE3 3.77Å; I200-W228 HydrophobicContact CG2-CZ3 3.72Å; M224-W228 HydrophobicContact CB-CG 4.3Å; M224-W228 HydrophobicContact CE-CB 4.23Å; M224-W228 HydrophobicContact CE-CD2 3.44Å; M224-W228 VanDerWaalsContact CE-CD2 3.44Å; M224-W228 HydrophobicContact CE-CE3 3.48Å; M224-W228 VanDerWaalsContact CE-CE3 3.48Å; M224-W228 HydrophobicContact CE-CG 3.8Å; M224-W228 HydrophobicContact CE-CH2 4.4Å; M224-W228 HydrophobicContact CE-CZ2 4.38Å; M224-W228 HydrophobicContact CE-CZ3 3.98Å; P225-W228 WeakPolarHBondContact O-CB 3.46Å; P225-W228 PolarHBondContact O-N 3.15Å; E226-W228 PolarHBondContact O-N 2.96Å; W228-Y234 AromaticContact CE3-CD1 3.56Å; W228-Y234 HydrophobicContact CE3-CD1 3.56Å; W228-Y234 HydrophobicContact CE3-CE1 4.07Å; W228-Y234 HydrophobicContact CH2-CE1 4.21Å; W228-Y234 AromaticContact CZ3-CD1 3.45Å; W228-Y234 HydrophobicContact CZ3-CD1 3.45Å; W228-Y234 VanDerWaalsContact CZ3-CD1 3.45Å; W228-Y234 AromaticContact CZ3-CE1 3.49Å; W228-Y234 HydrophobicContact CZ3-CE1 3.49Å; W228-Y234 VanDerWaalsContact CZ3-CE1 3.49Å; W228-Y234 CarbonylContact O-C 3.54Å; W228-Y234 WeakPolarHBondContact O-CA 3.21Å; W228-K235 PolarHBondContact O-N 2.91Å; W228-L236 HydrophobicContact CB-CD2 3.75Å
229K82.4Confident76.8Confident91 Ų9164.4 Ų64.440%0.39636%0.359SS..EExtended strand (participates in β ladder)trans-109.9115.3174.1-175.3174-177.5168.70109.5S193 D197 K227 Y234S193-K229 PolarHBondContact OG-NZ 3.45Å; S193-K229 VanDerWaalsContact OG-NZ 3.17Å; D197-K229 VanDerWaalsContact CG-NZ 3.33Å; D197-K229 IonicContact OD1-NZ 3.89Å; D197-K229 PolarHBondContact OD1-NZ 3.04Å; D197-K229 IonicContact OD2-NZ 2.9Å; D197-K229 PolarHBondContact OD2-NZ 3.27Å; K227-K229 PolarHBondContact O-N 3.3Å; K227-K229 VanDerWaalsContact O-N 3.13Å; K229-Y234 HydrophobicContact CB-CD1 4.13Å; K229-Y234 HydrophobicContact CB-CE1 4.19Å; K229-Y234 HydrophobicContact CD-CE1 4.09Å; K229-Y234 HydrophobicContact CG-CD1 4.23Å; K229-Y234 HydrophobicContact CG-CE1 3.9Å
230S75.9Confident78.5Confident53 Ų5363 Ų6337%0.37134%0.344SS..EExtended strand (participates in β ladder)trans-133.7113.6179.8-68.50000110.1K227 G232 V233K227-S230 PolarHBondContact O-OG 3.09Å; S230-G232 VanDerWaalsContact C-N 3.28Å; S230-G232 PolarHBondContact O-N 3.47Å; S230-V233 CarbonylContact C-O 3.57Å; S230-V233 PolarHBondContact N-O 3.47Å; S230-V233 PolarHBondContact O-N 3.15Å
231S67.8Low79.7Confident131 Ų13159.7 Ų59.792%0.91634%0.338SS*.THydrogen-bonded Turntrans45.943.6171.3590000115.3
232G77.2Confident80.9Confident44 Ų4460.7 Ų60.745%0.45434%0.336SS..THydrogen-bonded Turntrans86.1-1.2178.300000115.8S230 P254S230-G232 VanDerWaalsContact C-N 3.28Å; S230-G232 PolarHBondContact O-N 3.47Å; G232-P254 WeakPolarHBondContact O-CD 3.45Å; G232-P254 WeakPolarHBondContact O-CG 3.37Å
233V86.9Confident81.8Confident53 Ų5356.5 Ų56.532%0.32131%0.31SS..EExtended strand (participates in β ladder)trans-117.7145.8173.2-179.80000109.1S230 C252 V253S230-V233 CarbonylContact C-O 3.57Å; S230-V233 PolarHBondContact N-O 3.47Å; S230-V233 PolarHBondContact O-N 3.15Å; V233-C252 WeakPolarHBondContact CG1-O 3.48Å; V233-V253 HydrophobicContact CG1-CG2 4.01Å; V233-V253 HydrophobicContact CG2-CG2 4.44Å
234Y88.3Confident82.1Confident10 Ų1062.8 Ų62.84%0.03934%0.335CS..EExtended strand (participates in β ladder)trans-103.3133.7175.7-50.1-90.5000110.1D197 I200 W228 K229 T251 C252 P254D197-Y234 VanDerWaalsContact OD1-CE1 3.26Å; D197-Y234 WeakPolarHBondContact OD1-CE1 3.49Å; D197-Y234 VanDerWaalsContact OD1-CZ 3.31Å; D197-Y234 PolarHBondContact OD1-OH 3.32Å; I200-Y234 HydrophobicContact CB-CD1 4.36Å; I200-Y234 HydrophobicContact CB-CG 4.45Å; I200-Y234 HydrophobicContact CD1-CD2 4.12Å; I200-Y234 HydrophobicContact CD1-CG 4.29Å; I200-Y234 HydrophobicContact CG1-CD1 3.99Å; I200-Y234 HydrophobicContact CG1-CD2 3.7Å; I200-Y234 HydrophobicContact CG1-CE1 4.21Å; I200-Y234 HydrophobicContact CG1-CE2 3.97Å; I200-Y234 HydrophobicContact CG1-CG 3.7Å; I200-Y234 HydrophobicContact CG2-CD1 4.11Å; I200-Y234 HydrophobicContact CG2-CG 4.18Å; W228-Y234 AromaticContact CE3-CD1 3.56Å; W228-Y234 HydrophobicContact CE3-CD1 3.56Å; W228-Y234 HydrophobicContact CE3-CE1 4.07Å; W228-Y234 HydrophobicContact CH2-CE1 4.21Å; W228-Y234 AromaticContact CZ3-CD1 3.45Å; W228-Y234 HydrophobicContact CZ3-CD1 3.45Å; W228-Y234 VanDerWaalsContact CZ3-CD1 3.45Å; W228-Y234 AromaticContact CZ3-CE1 3.49Å; W228-Y234 HydrophobicContact CZ3-CE1 3.49Å; W228-Y234 VanDerWaalsContact CZ3-CE1 3.49Å; W228-Y234 CarbonylContact O-C 3.54Å; W228-Y234 WeakPolarHBondContact O-CA 3.21Å; K229-Y234 HydrophobicContact CB-CD1 4.13Å; K229-Y234 HydrophobicContact CB-CE1 4.19Å; K229-Y234 HydrophobicContact CD-CE1 4.09Å; K229-Y234 HydrophobicContact CG-CD1 4.23Å; K229-Y234 HydrophobicContact CG-CE1 3.9Å; Y234-T251 CarbonylContact O-C 3.58Å; Y234-T251 WeakPolarHBondContact O-CA 3.42Å; Y234-C252 HydrophobicContact CD2-CB 4.23Å; Y234-C252 PolarHBondContact N-O 3.13Å; Y234-C252 PolarHBondContact O-N 3.44Å; Y234-P254 HydrophobicContact CE2-CG 4.38Å
235K89.7Confident81.9Confident99 Ų9964.4 Ų64.443%0.4336%0.356SS..EExtended strand (participates in β ladder)trans-134.5119.1179.9-167-179.7-173.8-168.30110.3W228 H237 V249 L250 T251W228-K235 PolarHBondContact O-N 2.91Å; K235-H237 WeakPolarHBondContact CE-NE2 3.25Å; K235-V249 HydrophobicContact CD-CG1 4.4Å; K235-V249 HydrophobicContact CG-CG1 3.96Å; K235-L250 WeakPolarHBondContact CA-O 3.37Å; K235-T251 HydrophobicContact CD-CG2 4.47Å; K235-T251 HydrophobicContact CG-CG2 4.02Å
236L89.4Confident82.1Confident1 Ų164.4 Ų64.41%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-123.9131.4-177.2-65.7156.2000109I200 M224 P225 W228 Y238 V249 L250I200-L236 HydrophobicContact CG2-CD1 3.9Å; M224-L236 HydrophobicContact CE-CD2 4.35Å; P225-L236 HydrophobicContact CB-CD2 4.26Å; P225-L236 HydrophobicContact CG-CD2 3.78Å; W228-L236 HydrophobicContact CB-CD2 3.75Å; L236-Y238 HydrophobicContact CB-CD2 4.33Å; L236-Y238 HydrophobicContact CB-CE2 3.38Å; L236-Y238 WeakPolarHBondContact CB-OH 3.03Å; L236-Y238 WeakPolarHBondContact CD1-OH 3.39Å; L236-Y238 HydrophobicContact CG-CE2 4.48Å; L236-V249 WeakPolarHBondContact O-CA 3.33Å; L236-L250 HydrophobicContact CB-CB 4.29Å; L236-L250 PolarHBondContact N-O 2.81Å; L236-L250 PolarHBondContact O-N 2.77Å
237H90.3Very high82.8Confident59 Ų5958.3 Ų58.327%0.27333%0.331SS..EExtended strand (participates in β ladder)trans-109.2132.4-178.8-71-94.9000109.4P214 Q215 K235 V249P214-H237 CarbonylContact C-O 3.52Å; P214-H237 WeakPolarHBondContact CA-O 3.31Å; Q215-H237 HydrophobicContact CB-CB 3.89Å; Q215-H237 PolarHBondContact N-O 2.95Å; K235-H237 WeakPolarHBondContact CE-NE2 3.25Å; H237-V249 WeakPolarHBondContact ND1-CG2 3.44Å
238Y90.2Very high83.5Confident0 Ų050.5 Ų50.50%030%0.298CS..EExtended strand (participates in β ladder)trans-134.8149.8-176.3-60.3-77.8000111.9H204 M207 I213 P214 L236 T247 A248 L250H204-Y238 AromaticContact CE1-CE1 3.87Å; H204-Y238 AromaticContact ND1-CE1 3.55Å; H204-Y238 AromaticContact ND1-CZ 3.66Å; H204-Y238 PolarHBondContact ND1-OH 3.22Å; M207-Y238 HydrophobicContact CB-CD1 4.49Å; M207-Y238 HydrophobicContact CB-CE1 4.04Å; M207-Y238 HydrophobicContact CB-CE2 4.44Å; M207-Y238 HydrophobicContact CE-CD2 4.03Å; M207-Y238 HydrophobicContact CE-CE2 4.39Å; M207-Y238 HydrophobicContact CE-CG 4.28Å; M207-Y238 HydrophobicContact CG-CE2 4.22Å; I213-Y238 CarbonylContact O-C 3.59Å; I213-Y238 WeakPolarHBondContact O-CA 3.43Å; P214-Y238 HydrophobicContact CB-CD1 4.13Å; P214-Y238 HydrophobicContact CB-CE1 4Å; L236-Y238 HydrophobicContact CB-CD2 4.33Å; L236-Y238 HydrophobicContact CB-CE2 3.38Å; L236-Y238 WeakPolarHBondContact CB-OH 3.03Å; L236-Y238 WeakPolarHBondContact CD1-OH 3.39Å; L236-Y238 HydrophobicContact CG-CE2 4.48Å; Y238-T247 CarbonylContact O-C 3.55Å; Y238-T247 WeakPolarHBondContact O-CA 3.41Å; Y238-A248 PolarHBondContact N-O 3Å; Y238-A248 PolarHBondContact O-N 3.19Å; Y238-L250 HydrophobicContact CD2-CD1 3.87Å; Y238-L250 HydrophobicContact CE2-CB 4.22Å; Y238-L250 HydrophobicContact CE2-CD1 3.48Å; Y238-L250 VanDerWaalsContact CE2-CD1 3.48Å; Y238-L250 HydrophobicContact CE2-CG 4.33Å
239T88.1Confident83.9Confident48 Ų4849.4 Ų49.429%0.29430%0.295SS..EExtended strand (participates in β ladder)trans-123149.7168.4540000108.2I213 T247I213-T239 PolarHBondContact N-O 3.34Å; I213-T239 PolarHBondContact O-N 3.01Å; I213-T239 PolarHBondContact O-OG1 3.5Å; T239-T247 HydrophobicContact CG2-CG2 3.94Å
240H88.5Confident84.3Confident16 Ų1645.1 Ų45.17%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-120.9131.1177.4-165.5-73.5000108.6S210 Y212 L242 C243 L317S210-H240 PolarHBondContact O-NE2 3.27Å; Y212-H240 HydrophobicContact CD1-CB 3.94Å; Y212-H240 AromaticContact CD1-CD2 3.88Å; Y212-H240 AromaticContact CD2-CD2 3.83Å; Y212-H240 HydrophobicContact CE1-CB 3.96Å; Y212-H240 AromaticContact CE1-CD2 3.92Å; Y212-H240 AromaticContact CE2-CD2 3.84Å; Y212-H240 AromaticContact CG-CD2 3.85Å; Y212-H240 AromaticContact CZ-CD2 3.92Å; H240-L242 VanDerWaalsContact CE1-CB 3.47Å; H240-L242 WeakPolarHBondContact CE1-CB 3.4Å; H240-L242 VanDerWaalsContact CE1-CG 3.4Å; H240-L242 WeakPolarHBondContact CE1-CG 3.49Å; H240-L242 WeakPolarHBondContact ND1-CB 3.41Å; H240-L242 PolarHBondContact ND1-N 3.21Å; H240-L242 PolarHBondContact O-N 3.12Å; H240-C243 HydrophobicContact CB-CB 4.24Å; H240-C243 CarbonylContact O-C 3.58Å; H240-C243 PolarHBondContact O-N 3.47Å; H240-L317 HydrophobicContact CB-CD1 4.29Å; H240-L317 VanDerWaalsContact CD2-CD1 3.42Å; H240-L317 WeakPolarHBondContact CD2-CD1 3.19Å
241P84.6Confident85Confident78 Ų7844.3 Ų44.351%0.50627%0.269SS..THydrogen-bonded Turntrans-60.1-31.3-177.823.5-34000112.1G211 C243G211-P241 VanDerWaalsContact O-CD 3.29Å; G211-P241 WeakPolarHBondContact O-CD 3.31Å; P241-C243 PolarHBondContact O-N 2.94Å
242L80.8Confident86Confident73 Ų7338 Ų3838%0.38223%0.225SC..THydrogen-bonded Turntrans-72.1-8.6174-60.7-176.4000114.3H240 R321 V329H240-L242 VanDerWaalsContact CE1-CB 3.47Å; H240-L242 WeakPolarHBondContact CE1-CB 3.4Å; H240-L242 VanDerWaalsContact CE1-CG 3.4Å; H240-L242 WeakPolarHBondContact CE1-CG 3.49Å; H240-L242 WeakPolarHBondContact ND1-CB 3.41Å; H240-L242 PolarHBondContact ND1-N 3.21Å; H240-L242 PolarHBondContact O-N 3.12Å; L242-R321 VanDerWaalsContact CB-NH2 3.25Å; L242-R321 PolarHBondContact O-NE 3.2Å; L242-R321 PolarHBondContact O-NH2 3.36Å; L242-V329 HydrophobicContact CD1-CG1 3.86Å; L242-V329 HydrophobicContact CD1-CG2 3.97Å
243C79.2Confident86.7Confident3 Ų338 Ų382%0.0222%0.216CC..EExtended strand (participates in β ladder)trans-133.471.6-174.6-62.70000110.3H240 P241 G245 G246 T320 L324H240-C243 HydrophobicContact CB-CB 4.24Å; H240-C243 CarbonylContact O-C 3.58Å; H240-C243 PolarHBondContact O-N 3.47Å; P241-C243 PolarHBondContact O-N 2.94Å; C243-G245 PolarHBondContact O-N 3.39Å; C243-G246 PolarHBondContact O-N 3.27Å; C243-T320 HydrophobicContact CB-CG2 3.71Å; C243-L324 HydrophobicContact CB-CD1 3.77Å
244E77.3Confident86.7Confident176 Ų17637.7 Ų37.782%0.82222%0.215SC*.EExtended strand (participates in β ladder)trans-64.3126175.3-66.4-175.2171.800110.4
245G75.2Confident86.6Confident52 Ų5241.8 Ų41.854%0.53624%0.237SC..EExtended strand (participates in β ladder)trans94.4-5.5-17900000115.9C243C243-G245 PolarHBondContact O-N 3.39Å
246G82.6Confident86.1Confident5 Ų546.3 Ų46.35%0.05226%0.26CS..EExtended strand (participates in β ladder)trans-107.6122.717400000112.5C243C243-G246 PolarHBondContact O-N 3.27Å
247T87.7Confident85.9Confident32 Ų3250.4 Ų50.420%0.19628%0.281CS..EExtended strand (participates in β ladder)trans-103.2119.217050.30000110.1Y238 T239 I265 K266Y238-T247 CarbonylContact O-C 3.55Å; Y238-T247 WeakPolarHBondContact O-CA 3.41Å; T239-T247 HydrophobicContact CG2-CG2 3.94Å; T247-I265 WeakPolarHBondContact O-CA 3.22Å; T247-K266 PolarHBondContact N-O 3.24Å; T247-K266 PolarHBondContact O-N 3.03Å; T247-K266 WeakPolarHBondContact OG1-CB 3.3Å; T247-K266 PolarHBondContact OG1-O 3.35Å
248A89.8Confident85.8Confident5 Ų550.2 Ų50.24%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-86.9130.6174.300000109.6Y212 Y238 T264 L316Y212-A248 HydrophobicContact CE1-CB 4.26Å; Y238-A248 PolarHBondContact N-O 3Å; Y238-A248 PolarHBondContact O-N 3.19Å; A248-T264 CarbonylContact C-O 3.56Å; A248-T264 WeakPolarHBondContact CA-O 3.25Å; A248-L316 HydrophobicContact CB-CD1 4.36Å; A248-L316 HydrophobicContact CB-CD2 4.06Å
249V90.1Very high85.7Confident9 Ų950.2 Ų50.26%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-121.9117.3179-174.10000108.4K235 L236 H237 T251 T264K235-V249 HydrophobicContact CD-CG1 4.4Å; K235-V249 HydrophobicContact CG-CG1 3.96Å; L236-V249 WeakPolarHBondContact O-CA 3.33Å; H237-V249 WeakPolarHBondContact ND1-CG2 3.44Å; V249-T251 HydrophobicContact CG1-CG2 4.37Å; V249-T264 PolarHBondContact N-O 3.08Å; V249-T264 PolarHBondContact O-N 2.85Å; V249-T264 PolarHBondContact O-OG1 3.4Å
250L90.9Very high85.8Confident1 Ų149.5 Ų49.51%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-95.8118.5174.6-85.9160.6000108.9M207 K235 L236 Y238 I261 A263 L312M207-L250 HydrophobicContact CE-CD1 3.63Å; M207-L250 HydrophobicContact CG-CD1 3.61Å; M207-L250 HydrophobicContact SD-CD1 3.63Å; K235-L250 WeakPolarHBondContact CA-O 3.37Å; L236-L250 HydrophobicContact CB-CB 4.29Å; L236-L250 PolarHBondContact N-O 2.81Å; L236-L250 PolarHBondContact O-N 2.77Å; Y238-L250 HydrophobicContact CD2-CD1 3.87Å; Y238-L250 HydrophobicContact CE2-CB 4.22Å; Y238-L250 HydrophobicContact CE2-CD1 3.48Å; Y238-L250 VanDerWaalsContact CE2-CD1 3.48Å; Y238-L250 HydrophobicContact CE2-CG 4.33Å; L250-I261 HydrophobicContact CD2-CG2 3.31Å; L250-A263 HydrophobicContact CD2-CB 4.04Å; L250-L312 HydrophobicContact CD2-CD1 3.99Å; L250-L312 HydrophobicContact CD2-CD2 3.88Å
251T90.5Very high86Confident35 Ų3548.7 Ų48.722%0.21527%0.272CS..EExtended strand (participates in β ladder)trans-112.3113.5173.249.50000108.8Y234 K235 V249 N262Y234-T251 CarbonylContact O-C 3.58Å; Y234-T251 WeakPolarHBondContact O-CA 3.42Å; K235-T251 HydrophobicContact CD-CG2 4.47Å; K235-T251 HydrophobicContact CG-CG2 4.02Å; V249-T251 HydrophobicContact CG1-CG2 4.37Å; T251-N262 PolarHBondContact N-O 2.96Å; T251-N262 PolarHBondContact O-N 2.91Å; T251-N262 WeakPolarHBondContact OG1-CB 3.4Å; T251-N262 PolarHBondContact OG1-O 3.45Å
252C89.3Confident86.3Confident0 Ų046.9 Ų46.90%026%0.259CS..EExtended strand (participates in β ladder)trans-106.2119.7-179.9-41.10000109.1I200 V233 Y234 I259 I260 I261I200-C252 HydrophobicContact CD1-CB 3.46Å; I200-C252 VanDerWaalsContact CD1-CB 3.46Å; V233-C252 WeakPolarHBondContact CG1-O 3.48Å; Y234-C252 HydrophobicContact CD2-CB 4.23Å; Y234-C252 PolarHBondContact N-O 3.13Å; Y234-C252 PolarHBondContact O-N 3.44Å; C252-I259 HydrophobicContact CB-CG2 3.91Å; C252-I260 CarbonylContact C-O 3.5Å; C252-I260 WeakPolarHBondContact CA-O 3.42Å; C252-I261 HydrophobicContact CB-CG1 4.11Å
253V90.6Very high86.8Confident44 Ų4443.5 Ų43.527%0.26724%0.241SC..EExtended strand (participates in β ladder)trans-112.8114.7-177.7-176.70000108.3V233 L255 I260V233-V253 HydrophobicContact CG1-CG2 4.01Å; V233-V253 HydrophobicContact CG2-CG2 4.44Å; V253-L255 HydrophobicContact CG1-CD1 4.31Å; V253-L255 PolarHBondContact O-N 2.95Å; V253-I260 PolarHBondContact N-O 3.25Å; V253-I260 PolarHBondContact O-N 3.46Å
254P86.8Confident87.3Confident45 Ų4544.4 Ų44.429%0.29225%0.246SC..EExtended strand (participates in β ladder)trans-71.6126172.529.3-31.4000109.9G232 Y234 I259G232-P254 WeakPolarHBondContact O-CD 3.45Å; G232-P254 WeakPolarHBondContact O-CG 3.37Å; Y234-P254 HydrophobicContact CE2-CG 4.38Å; P254-I259 HydrophobicContact CB-CG1 4.31Å
255L86.2Confident88Confident96 Ų9636.1 Ų36.150%0.50321%0.207SC..EExtended strand (participates in β ladder)trans-122.592.5178-134.289.2000108.1V253 N257 L258 I260V253-L255 HydrophobicContact CG1-CD1 4.31Å; V253-L255 PolarHBondContact O-N 2.95Å; L255-N257 PolarHBondContact O-N 3.02Å; L255-L258 CarbonylContact C-O 3.59Å; L255-L258 PolarHBondContact N-O 3.09Å; L255-L258 PolarHBondContact O-N 3.48Å; L255-I260 HydrophobicContact CD2-CD1 4.2Å
256E80.4Confident88.5Confident195 Ų19539.4 Ų39.491%0.91121%0.207SC*.THydrogen-bonded Turntrans51.1-93.5-177-59.9-178.6175.200113.5
257N83.8Confident88.7Confident87 Ų8740.7 Ų40.747%0.46521%0.213SC..THydrogen-bonded Turntrans-103.60.1-178.1-65.1-38000113.7L255 P281 R282L255-N257 PolarHBondContact O-N 3.02Å; N257-P281 VanDerWaalsContact O-CD 3.24Å; N257-P281 WeakPolarHBondContact O-CD 3.39Å; N257-R282 PolarHBondContact OD1-NH2 3.2Å; N257-R282 VanDerWaalsContact OD1-NH2 3.13Å
258L88.6Confident87.8Confident55 Ų5547.1 Ų47.129%0.28825%0.246SC..EExtended strand (participates in β ladder)trans-121.2155.7-177.6-67.5165.5000110.1L255 L279 Q280L255-L258 CarbonylContact C-O 3.59Å; L255-L258 PolarHBondContact N-O 3.09Å; L255-L258 PolarHBondContact O-N 3.48Å; L258-L279 CarbonylContact C-O 3.54Å; L258-L279 WeakPolarHBondContact CA-O 3.49Å; L258-Q280 HydrophobicContact CD2-CB 4.32Å; L258-Q280 HydrophobicContact CD2-CG 3.2Å; L258-Q280 HydrophobicContact CG-CG 4.43Å
259I88.9Confident86.6Confident0 Ų050.6 Ų50.60%028%0.282CS..EExtended strand (participates in β ladder)trans-120.7123.3166.2-62.2-174.6000107.8L199 I200 C252 P254 I261 L279 P281L199-I259 HydrophobicContact CD2-CD1 4.06Å; I200-I259 HydrophobicContact CD1-CG2 4.34Å; C252-I259 HydrophobicContact CB-CG2 3.91Å; P254-I259 HydrophobicContact CB-CG1 4.31Å; I259-I261 HydrophobicContact CG2-CG1 4Å; I259-L279 PolarHBondContact N-O 3.12Å; I259-L279 PolarHBondContact O-N 3.49Å; I259-P281 HydrophobicContact CB-CG 4.5Å; I259-P281 HydrophobicContact CD1-CG 3.64Å; I259-P281 HydrophobicContact CG1-CG 3.6Å
260I90.4Very high85.9Confident32 Ų3252 Ų5216%0.16430%0.299CS..EExtended strand (participates in β ladder)trans-94.7115.6174.8-54.4-176.6000107.7C252 V253 L255 S276 Q278C252-I260 CarbonylContact C-O 3.5Å; C252-I260 WeakPolarHBondContact CA-O 3.42Å; V253-I260 PolarHBondContact N-O 3.25Å; V253-I260 PolarHBondContact O-N 3.46Å; L255-I260 HydrophobicContact CD2-CD1 4.2Å; I260-S276 WeakPolarHBondContact CG2-OG 3.29Å; I260-Q278 HydrophobicContact CG1-CG 4.25Å
261I91.6Very high85.5Confident0 Ų058.1 Ų58.10%033%0.33CS..EExtended strand (participates in β ladder)trans-101.9107.3178.3-56.6-177.2000108V203 L250 C252 I259 S276 V277 L279 F308 L312V203-I261 HydrophobicContact CG1-CD1 4.26Å; V203-I261 HydrophobicContact CG2-CD1 3.67Å; L250-I261 HydrophobicContact CD2-CG2 3.31Å; C252-I261 HydrophobicContact CB-CG1 4.11Å; I259-I261 HydrophobicContact CG2-CG1 4Å; I261-S276 CarbonylContact O-C 3.53Å; I261-S276 VanDerWaalsContact O-CA 3.31Å; I261-S276 WeakPolarHBondContact O-CA 3.4Å; I261-V277 PolarHBondContact N-O 3.13Å; I261-V277 PolarHBondContact O-N 3.21Å; I261-L279 HydrophobicContact CD1-CD1 3.56Å; I261-L279 HydrophobicContact CD1-CG 4.35Å; I261-F308 HydrophobicContact CD1-CD2 4.49Å; I261-F308 HydrophobicContact CD1-CE2 3.84Å; I261-F308 HydrophobicContact CG2-CE2 4.32Å; I261-L312 HydrophobicContact CB-CD1 4.2Å; I261-L312 HydrophobicContact CG2-CD1 3.6Å
262N91.8Very high85.2Confident40 Ų4061.4 Ų61.421%0.21434%0.341CS..EExtended strand (participates in β ladder)trans-96.8122.2175.2-60.1-51.5000109.6T251 S276T251-N262 PolarHBondContact N-O 2.96Å; T251-N262 PolarHBondContact O-N 2.91Å; T251-N262 WeakPolarHBondContact OG1-CB 3.4Å; T251-N262 PolarHBondContact OG1-O 3.45Å; N262-S276 WeakPolarHBondContact OD1-CB 3.12Å; N262-S276 PolarHBondContact OD1-OG 3.29Å
263A91.7Very high84.9Confident1 Ų166.1 Ų66.11%0.00837%0.366CS..EExtended strand (participates in β ladder)trans-96.9120.4172.900000109.6L250 V274 K275 L312 L316L250-A263 HydrophobicContact CD2-CB 4.04Å; A263-V274 PolarHBondContact O-N 3.21Å; A263-K275 PolarHBondContact N-O 3.09Å; A263-L312 HydrophobicContact CB-CD1 4.18Å; A263-L312 HydrophobicContact CB-CD2 3.94Å; A263-L312 HydrophobicContact CB-CG 4.05Å; A263-L316 HydrophobicContact CB-CD1 4.09Å; A263-L316 HydrophobicContact CB-CD2 4.35Å
264T89.7Confident84.4Confident22 Ų2265.2 Ų65.214%0.13536%0.361CS..EExtended strand (participates in β ladder)trans-120.9150.5176.660.80000109.4A248 V249 K272 N273A248-T264 CarbonylContact C-O 3.56Å; A248-T264 WeakPolarHBondContact CA-O 3.25Å; V249-T264 PolarHBondContact N-O 3.08Å; V249-T264 PolarHBondContact O-N 2.85Å; V249-T264 PolarHBondContact O-OG1 3.4Å; T264-K272 CarbonylContact C-O 3.57Å; T264-K272 WeakPolarHBondContact CA-O 3.2Å; T264-N273 HydrophobicContact CG2-CB 4.44Å
265I90.4Very high84.3Confident2 Ų268.2 Ų68.21%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-118.3131.6173.3-64.6160.5000108.1T247 I267 I271 K272 V274 L316 F319 T320T247-I265 WeakPolarHBondContact O-CA 3.22Å; I265-I267 HydrophobicContact CG2-CD1 3.49Å; I265-I267 VanDerWaalsContact CG2-CD1 3.49Å; I265-I267 HydrophobicContact CG2-CG1 3.6Å; I265-I271 WeakPolarHBondContact O-CA 3.47Å; I265-K272 PolarHBondContact N-O 2.97Å; I265-K272 PolarHBondContact O-N 3.28Å; I265-V274 HydrophobicContact CB-CG2 4.38Å; I265-V274 HydrophobicContact CD1-CG2 3.32Å; I265-V274 HydrophobicContact CG1-CG2 3.66Å; I265-L316 HydrophobicContact CD1-CD1 3.83Å; I265-L316 HydrophobicContact CG1-CD1 3.63Å; I265-F319 HydrophobicContact CD1-CD1 3.55Å; I265-F319 HydrophobicContact CD1-CE1 4.14Å; I265-T320 HydrophobicContact CD1-CG2 4.25Å; I265-T320 WeakPolarHBondContact CD1-OG1 3.31Å; I265-T320 HydrophobicContact CG2-CG2 4.49Å
266K87.4Confident84.4Confident121 Ų12165.9 Ų65.953%0.52636%0.361SS..EExtended strand (participates in β ladder)trans-104.3114.1170178.8-173.7-178.6-170.40108.2T247 I271T247-K266 PolarHBondContact N-O 3.24Å; T247-K266 PolarHBondContact O-N 3.03Å; T247-K266 WeakPolarHBondContact OG1-CB 3.3Å; T247-K266 PolarHBondContact OG1-O 3.35Å; K266-I271 HydrophobicContact CB-CG1 4.36Å; K266-I271 HydrophobicContact CG-CG1 4.32Å
267I85.9Confident84.8Confident33 Ų3356.7 Ų56.717%0.16932%0.318CS..EExtended strand (participates in β ladder)trans-120.6160.3172.8-71.6158.3000107.1I265 G269 G270 V323 L324I265-I267 HydrophobicContact CG2-CD1 3.49Å; I265-I267 VanDerWaalsContact CG2-CD1 3.49Å; I265-I267 HydrophobicContact CG2-CG1 3.6Å; I267-G269 PolarHBondContact O-N 3.22Å; I267-G270 PolarHBondContact N-O 3.1Å; I267-G270 PolarHBondContact O-N 3.38Å; I267-G270 VanDerWaalsContact O-O 3.14Å; I267-V323 HydrophobicContact CD1-CB 3.79Å; I267-V323 HydrophobicContact CD1-CG1 3.38Å; I267-L324 HydrophobicContact CD1-CD2 4.03Å; I267-L324 HydrophobicContact CD1-CG 4.23Å; I267-L324 HydrophobicContact CG1-CD2 4.15Å; I267-L324 HydrophobicContact CG2-CD2 4.24Å
268D69Low85Confident167 Ų16758.7 Ų58.789%0.89333%0.325SS*.THydrogen-bonded Turntrans-62.318.7-177-63.3-30.2000115.9
269G63.9Low84.9Confident77 Ų7756.2 Ų56.279%0.79431%0.312SS*.THydrogen-bonded Turntrans-135.210.8172.100000114.3I267I267-G269 PolarHBondContact O-N 3.22Å
270G75.6Confident84.8Confident40 Ų4061.3 Ų61.341%0.41234%0.336SS..EExtended strand (participates in β ladder)trans136.6172.317500000114.8I267I267-G270 PolarHBondContact N-O 3.1Å; I267-G270 PolarHBondContact O-N 3.38Å; I267-G270 VanDerWaalsContact O-O 3.14Å
271I83.4Confident84.4Confident128 Ų12860.1 Ų60.166%0.65633%0.33SS*.EExtended strand (participates in β ladder)trans-93.8119.7174.2-57.3171.2000107.9I265 K266I265-I271 WeakPolarHBondContact O-CA 3.47Å; K266-I271 HydrophobicContact CB-CG1 4.36Å; K266-I271 HydrophobicContact CG-CG1 4.32Å
272K83.3Confident83.7Confident104 Ų10468.4 Ų68.445%0.45236%0.361SS..EExtended strand (participates in β ladder)trans-108.4131.6175-65.9-176.4-179178.60109.6T264 I265 F319 V323T264-K272 CarbonylContact C-O 3.57Å; T264-K272 WeakPolarHBondContact CA-O 3.2Å; I265-K272 PolarHBondContact N-O 2.97Å; I265-K272 PolarHBondContact O-N 3.28Å; K272-F319 HydrophobicContact CB-CE1 4.06Å; K272-F319 HydrophobicContact CB-CZ 4.26Å; K272-F319 HydrophobicContact CD-CE1 4.3Å; K272-F319 HydrophobicContact CD-CZ 4.22Å; K272-V323 HydrophobicContact CD-CG1 4.3Å; K272-V323 HydrophobicContact CD-CG2 4.18Å
273N82.6Confident83Confident99 Ų9968.9 Ų68.953%0.52937%0.368SS..EExtended strand (participates in β ladder)trans-79.8130.9169-170.8-68.5000108.8T264T264-N273 HydrophobicContact CG2-CB 4.44Å
274V80.5Confident82.2Confident26 Ų2670.4 Ų70.416%0.15837%0.374CS..EExtended strand (participates in β ladder)trans-99.5-57.7-177.7-173.90000110.6A263 I265 L316 F319A263-V274 PolarHBondContact O-N 3.21Å; I265-V274 HydrophobicContact CB-CG2 4.38Å; I265-V274 HydrophobicContact CD1-CG2 3.32Å; I265-V274 HydrophobicContact CG1-CG2 3.66Å; V274-L316 HydrophobicContact CB-CD1 4.24Å; V274-L316 HydrophobicContact CG1-CD1 4.47Å; V274-L316 HydrophobicContact CG2-CD1 3.86Å; V274-F319 HydrophobicContact CB-CD1 4.26Å; V274-F319 HydrophobicContact CB-CG 4.41Å; V274-F319 HydrophobicContact CG1-CB 3.52Å; V274-F319 HydrophobicContact CG1-CD1 3.96Å; V274-F319 HydrophobicContact CG1-CD2 4.22Å; V274-F319 HydrophobicContact CG1-CG 3.64Å; V274-F319 HydrophobicContact CG2-CD1 3.5Å; V274-F319 HydrophobicContact CG2-CE1 3.79Å; V274-F319 HydrophobicContact CG2-CG 4.11Å
275K85.9Confident81.6Confident108 Ų10869.4 Ų69.447%0.4737%0.368SS..EExtended strand (participates in β ladder)trans-158.7150.8-173.8-161.565177-177.20110.7A263A263-K275 PolarHBondContact N-O 3.09Å
276S87.4Confident80.2Confident47 Ų4772.5 Ų72.533%0.32939%0.389SS..EExtended strand (participates in β ladder)trans-120.1135.4170.2-173.60000109.1I260 I261 N262I260-S276 WeakPolarHBondContact CG2-OG 3.29Å; I261-S276 CarbonylContact O-C 3.53Å; I261-S276 VanDerWaalsContact O-CA 3.31Å; I261-S276 WeakPolarHBondContact O-CA 3.4Å; N262-S276 WeakPolarHBondContact OD1-CB 3.12Å; N262-S276 PolarHBondContact OD1-OG 3.29Å
277V89.1Confident78.9Confident2 Ų267.5 Ų67.51%0.01237%0.372CS..EExtended strand (participates in β ladder)trans-123.7139.2174.2175.50000108.9I261 L279 L307 Q311 L312I261-V277 PolarHBondContact N-O 3.13Å; I261-V277 PolarHBondContact O-N 3.21Å; V277-L279 HydrophobicContact CG1-CD2 3.98Å; V277-L279 HydrophobicContact CG1-CG 4.22Å; V277-L307 HydrophobicContact CG1-CD2 4.11Å; V277-Q311 HydrophobicContact CG2-CB 3.75Å; V277-L312 HydrophobicContact CB-CD1 4.23Å; V277-L312 HydrophobicContact CG2-CB 3.89Å; V277-L312 HydrophobicContact CG2-CD1 4.08Å; V277-L312 HydrophobicContact CG2-CG 4.45Å
278Q88.7Confident77.7Confident128 Ų12867.1 Ų67.160%0.59837%0.371SS*.EExtended strand (participates in β ladder)trans-105.3126.5176.6-57.3-176.5-5.600108.7I260I260-Q278 HydrophobicContact CG1-CG 4.25Å
279L86.7Confident77.1Confident3 Ų364.8 Ų64.82%0.01635%0.354CS..EExtended strand (participates in β ladder)trans-120.5143.4177.8-62.6178.8000110.3L199 V203 L258 I259 I261 V277 P281 Y284 L304 L307 F308L199-L279 HydrophobicContact CD2-CB 3.97Å; L199-L279 HydrophobicContact CD2-CD1 4.18Å; V203-L279 HydrophobicContact CG2-CD1 4.37Å; L258-L279 CarbonylContact C-O 3.54Å; L258-L279 WeakPolarHBondContact CA-O 3.49Å; I259-L279 PolarHBondContact N-O 3.12Å; I259-L279 PolarHBondContact O-N 3.49Å; I261-L279 HydrophobicContact CD1-CD1 3.56Å; I261-L279 HydrophobicContact CD1-CG 4.35Å; V277-L279 HydrophobicContact CG1-CD2 3.98Å; V277-L279 HydrophobicContact CG1-CG 4.22Å; L279-P281 WeakPolarHBondContact O-CD 3.42Å; L279-Y284 HydrophobicContact CD2-CE2 4.45Å; L279-L304 HydrophobicContact CD1-CD1 4Å; L279-L304 HydrophobicContact CD2-CD1 3.85Å; L279-L307 HydrophobicContact CD2-CD2 3.94Å; L279-F308 HydrophobicContact CD1-CD2 4.23Å
280Q85.8Confident76.4Confident107 Ų10767.2 Ų67.250%0.536%0.356SS..  trans-96.1109.7171-76179.33.300109.1L258 R282 S283 Y284L258-Q280 HydrophobicContact CD2-CB 4.32Å; L258-Q280 HydrophobicContact CD2-CG 3.2Å; L258-Q280 HydrophobicContact CG-CG 4.43Å; Q280-R282 VanDerWaalsContact C-N 3.26Å; Q280-R282 PolarHBondContact O-N 3.14Å; Q280-S283 WeakPolarHBondContact CB-OG 3.49Å; Q280-S283 PolarHBondContact O-N 3.48Å; Q280-S283 PolarHBondContact OE1-OG 3.06Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.43Å
281P81.5Confident75.4Confident7 Ų769.4 Ų69.45%0.04538%0.379CS..Hα-helixtrans-60-36.4-178.6-24.135.1000112.9I195 L199 N257 I259 L279 S283 Y284 V285I195-P281 HydrophobicContact CG2-CB 3.62Å; L199-P281 HydrophobicContact CD2-CB 4.18Å; L199-P281 HydrophobicContact CD2-CG 3.97Å; N257-P281 VanDerWaalsContact O-CD 3.24Å; N257-P281 WeakPolarHBondContact O-CD 3.39Å; I259-P281 HydrophobicContact CB-CG 4.5Å; I259-P281 HydrophobicContact CD1-CG 3.64Å; I259-P281 HydrophobicContact CG1-CG 3.6Å; L279-P281 WeakPolarHBondContact O-CD 3.42Å; P281-S283 PolarHBondContact O-N 3.34Å; P281-Y284 PolarHBondContact O-N 3.15Å; P281-Y284 VanDerWaalsContact O-N 3.14Å; P281-V285 WeakPolarHBondContact O-CB 3.01Å; P281-V285 PolarHBondContact O-N 3.17Å
282R77.9Confident74.4Confident174 Ų17467.1 Ų67.166%0.65737%0.365SS*.Hα-helixtrans-64.2-22.1-179.7-61.4-174.2-176.1-165.92.6114N257 Q280 Y284N257-R282 PolarHBondContact OD1-NH2 3.2Å; N257-R282 VanDerWaalsContact OD1-NH2 3.13Å; Q280-R282 VanDerWaalsContact C-N 3.26Å; Q280-R282 PolarHBondContact O-N 3.14Å; R282-Y284 VanDerWaalsContact C-N 3.34Å
283S77.2Confident73.3Confident51 Ų5164.7 Ų64.736%0.35736%0.361SS..Hα-helixtrans-78.1-22.4178.5-53.90000112.7Q280 P281Q280-S283 WeakPolarHBondContact CB-OG 3.49Å; Q280-S283 PolarHBondContact O-N 3.48Å; Q280-S283 PolarHBondContact OE1-OG 3.06Å; P281-S283 PolarHBondContact O-N 3.34Å
284Y74.6Confident72.5Confident32 Ų3260.1 Ų60.113%0.12534%0.337CS..Hα-helixtrans-121.7-15.5-171.9-53.7-66.9000113.2L199 L279 Q280 P281 R282 Y298 K299 D300 L304L199-Y284 HydrophobicContact CD1-CD2 4.48Å; L279-Y284 HydrophobicContact CD2-CE2 4.45Å; Q280-Y284 WeakPolarHBondContact O-CD2 3.43Å; P281-Y284 PolarHBondContact O-N 3.15Å; P281-Y284 VanDerWaalsContact O-N 3.14Å; R282-Y284 VanDerWaalsContact C-N 3.34Å; Y284-Y298 WeakPolarHBondContact O-CA 3.37Å; Y284-K299 PolarHBondContact O-N 2.87Å; Y284-D300 HydrophobicContact CD1-CB 4.3Å; Y284-L304 HydrophobicContact CD1-CB 3.71Å; Y284-L304 HydrophobicContact CD1-CD1 4.35Å; Y284-L304 HydrophobicContact CD1-CD2 4.2Å; Y284-L304 HydrophobicContact CD1-CG 4.3Å; Y284-L304 HydrophobicContact CD2-CD1 3.96Å; Y284-L304 HydrophobicContact CD2-CD2 4.2Å; Y284-L304 HydrophobicContact CE1-CB 3.81Å; Y284-L304 HydrophobicContact CE1-CD1 4.22Å; Y284-L304 HydrophobicContact CE1-CG 4.49Å; Y284-L304 HydrophobicContact CE2-CD1 3.83Å; Y284-L304 HydrophobicContact CG-CB 4.2Å; Y284-L304 HydrophobicContact CG-CD1 4.21Å; Y284-L304 HydrophobicContact CG-CD2 3.84Å; Y284-L304 HydrophobicContact CG-CG 4.31Å
285V77.6Confident71.8Confident2 Ų261.6 Ų61.61%0.01235%0.346CS..BIsolated β-bridgetrans-128.1122.3179.8-178.90000108.4I195 A198 L199 P281 V288 V297 Y298I195-V285 HydrophobicContact CB-CG1 4.39Å; I195-V285 HydrophobicContact CG2-CB 3.62Å; I195-V285 HydrophobicContact CG2-CG1 3.67Å; I195-V285 HydrophobicContact CG2-CG2 4.42Å; A198-V285 HydrophobicContact CB-CG1 4.09Å; A198-V285 HydrophobicContact CB-CG2 4.29Å; L199-V285 HydrophobicContact CB-CG2 4.41Å; P281-V285 WeakPolarHBondContact O-CB 3.01Å; P281-V285 PolarHBondContact O-N 3.17Å; V285-V288 HydrophobicContact CG1-CG2 4.16Å; V285-V297 VanDerWaalsContact CA-O 3.31Å; V285-V297 WeakPolarHBondContact CA-O 2.99Å; V285-V297 HydrophobicContact CG1-CG1 3.94Å; V285-Y298 HydrophobicContact CG2-CD1 4.03Å; V285-Y298 HydrophobicContact CG2-CE1 4.13Å
286C59.6Low71Confident67 Ų6763 Ų6345%0.45335%0.352SS..  trans-92-6.8-172.5-78.80000115.5V297 K299C286-V297 PolarHBondContact N-O 2.94Å; C286-K299 HydrophobicContact CB-CD 4.34Å; C286-K299 HydrophobicContact CB-CG 4.42Å; C286-K299 WeakPolarHBondContact SG-CD 3.24Å; C286-K299 WeakPolarHBondContact SG-CE 3.35Å; C286-K299 VanDerWaalsContact SG-CG 3.51Å; C286-K299 PolarHBondContact SG-NZ 3.39Å
287G61.2Low70.3Confident16 Ų1660.7 Ų60.717%0.16534%0.336CS..  trans155.2150.3179.200000108.7
288V60.5Low69.8Low25 Ų2561 Ų6115%0.15234%0.337CS..  trans-115.884.4172.1175.70000105.6C192 I195 A198 V285C192-V288 HydrophobicContact CB-CG1 4.14Å; C192-V288 VanDerWaalsContact O-CG1 3.31Å; C192-V288 WeakPolarHBondContact O-CG1 3.45Å; I195-V288 HydrophobicContact CG1-CG2 4.36Å; A198-V288 HydrophobicContact CB-CG2 3.88Å; V285-V288 HydrophobicContact CG1-CG2 4.16Å
289E55.3Low69.4Low117 Ų11760.4 Ų60.455%0.54733%0.333SS..  trans-92.2133169.3-65.4-59.614300108.6G291 E292E289-G291 PolarHBondContact O-N 3.32Å; E289-G291 VanDerWaalsContact O-N 3.15Å; E289-E292 HydrophobicContact CB-CG 4.07Å; E289-E292 PolarHBondContact O-N 3.21Å
290P50.5Low69.1Low128 Ų12862.9 Ų62.983%0.83135%0.346SS*.THydrogen-bonded Turntrans-67.2115.6-17926.1-31.5000110.1
291G54.6Low68.9Low86 Ų8658.5 Ų58.589%0.88733%0.326SS*.THydrogen-bonded Turntrans111-1.4175.600000115.7E289E289-G291 PolarHBondContact O-N 3.32Å; E289-G291 VanDerWaalsContact O-N 3.15Å
292E61.1Low69.1Low81 Ų8162.6 Ų62.638%0.37934%0.343SS..  trans-81.3141.2173.7-65.9-170155.900112.2E289 V297E289-E292 HydrophobicContact CB-CG 4.07Å; E289-E292 PolarHBondContact O-N 3.21Å; E292-V297 HydrophobicContact CB-CG2 4.39Å
293S61.9Low69.5Low52 Ų5260.2 Ų60.236%0.36434%0.337SS..  trans-61.9145.7174.857.60000110.5V295 K296S293-V295 PolarHBondContact O-N 3.17Å; S293-K296 PolarHBondContact O-N 2.95Å
294A65.3Low70Confident3 Ų357.8 Ų57.83%0.02532%0.32CS..Hα-helixtrans-53.5-26.3-178.900000112.7V179 E184 K296 V297 Y298V179-A294 HydrophobicContact CG1-CB 3.85Å; E184-A294 HydrophobicContact CB-CB 4.26Å; E184-A294 HydrophobicContact CG-CB 4.47Å; A294-K296 VanDerWaalsContact C-N 3.32Å; A294-K296 PolarHBondContact O-N 2.93Å; A294-V297 PolarHBondContact O-N 2.86Å; A294-Y298 HydrophobicContact CB-CD2 4.37Å; A294-Y298 HydrophobicContact CB-CE2 4.31Å; A294-Y298 VanDerWaalsContact O-CD2 3.24Å; A294-Y298 WeakPolarHBondContact O-CD2 3.2Å; A294-Y298 PolarHBondContact O-N 2.9Å
295V64.9Low70.6Confident58 Ų5856.3 Ų56.335%0.35232%0.315SS..Hα-helixtrans-57.9-36.3174.6179.50000113.8G177 V179 S293G177-V295 WeakPolarHBondContact O-CG1 3.32Å; V179-V295 HydrophobicContact CB-CG2 3.99Å; V179-V295 HydrophobicContact CG2-CB 4.3Å; V179-V295 HydrophobicContact CG2-CG2 3.93Å; S293-V295 PolarHBondContact O-N 3.17Å
296K68.8Low71.1Confident136 Ų13662.9 Ų62.959%0.59134%0.34SS*.Hα-helixtrans-86.8-25.9-179.4-67.1-178.2178179.90112.7S293 A294S293-K296 PolarHBondContact O-N 2.95Å; A294-K296 VanDerWaalsContact C-N 3.32Å; A294-K296 PolarHBondContact O-N 2.93Å
297V73.8Confident72.6Confident0 Ų062 Ų620%033%0.33CS..Hα-helixtrans-72.6-43.7-176.7176.30000111.1Y187 A198 V285 C286 E292 A294Y187-V297 HydrophobicContact CE1-CG2 4.34Å; Y187-V297 HydrophobicContact CE2-CG1 4.16Å; A198-V297 HydrophobicContact CB-CG1 4.3Å; V285-V297 VanDerWaalsContact CA-O 3.31Å; V285-V297 WeakPolarHBondContact CA-O 2.99Å; V285-V297 HydrophobicContact CG1-CG1 3.94Å; C286-V297 PolarHBondContact N-O 2.94Å; E292-V297 HydrophobicContact CB-CG2 4.39Å; A294-V297 PolarHBondContact O-N 2.86Å
298Y78.3Confident73.9Confident7 Ų761.3 Ų61.33%0.02732%0.322CS..BIsolated β-bridgetrans-100.5137.2-174.3-60-73.6000112.5L183 Y187 A198 L202 Y284 V285 A294 L301L183-Y298 HydrophobicContact CD1-CE2 4.12Å; L183-Y298 HydrophobicContact CD2-CD2 3.51Å; L183-Y298 HydrophobicContact CD2-CE2 3.6Å; L183-Y298 HydrophobicContact CD2-CG 4.14Å; L183-Y298 HydrophobicContact CG-CD2 4.25Å; L183-Y298 HydrophobicContact CG-CE2 3.84Å; Y187-Y298 HydrophobicContact CD2-CE2 4.32Å; Y187-Y298 WeakPolarHBondContact CD2-OH 3.3Å; A198-Y298 HydrophobicContact CB-CE1 4.05Å; A198-Y298 WeakPolarHBondContact O-CE1 3.38Å; A198-Y298 PolarHBondContact O-OH 3.42Å; A198-Y298 VanDerWaalsContact O-OH 3.04Å; L202-Y298 HydrophobicContact CB-CE1 3.98Å; L202-Y298 HydrophobicContact CD2-CD1 3.79Å; L202-Y298 HydrophobicContact CD2-CE1 4.1Å; Y284-Y298 WeakPolarHBondContact O-CA 3.37Å; V285-Y298 HydrophobicContact CG2-CD1 4.03Å; V285-Y298 HydrophobicContact CG2-CE1 4.13Å; A294-Y298 HydrophobicContact CB-CD2 4.37Å; A294-Y298 HydrophobicContact CB-CE2 4.31Å; A294-Y298 VanDerWaalsContact O-CD2 3.24Å; A294-Y298 WeakPolarHBondContact O-CD2 3.2Å; A294-Y298 PolarHBondContact O-N 2.9Å; Y298-L301 VanDerWaalsContact CB-CD1 3.48Å
299K79.9Confident75.3Confident117 Ų11760.9 Ų60.951%0.50932%0.318SS..  trans-126.8154.5171.7-64.5-162-170.7154.10110.7Y284 C286 L301Y284-K299 PolarHBondContact O-N 2.87Å; C286-K299 HydrophobicContact CB-CD 4.34Å; C286-K299 HydrophobicContact CB-CG 4.42Å; C286-K299 WeakPolarHBondContact SG-CD 3.24Å; C286-K299 WeakPolarHBondContact SG-CE 3.35Å; C286-K299 VanDerWaalsContact SG-CG 3.51Å; C286-K299 PolarHBondContact SG-NZ 3.39Å; K299-L301 VanDerWaalsContact C-N 3.25Å; K299-L301 PolarHBondContact O-N 3.38Å
300D80.4Confident77Confident55 Ų5560 Ų6029%0.29432%0.318SS..  trans56.334.1173.9-83.2-31.6000114.2Y284 K302 K303 L304Y284-D300 HydrophobicContact CD1-CB 4.3Å; D300-K302 PolarHBondContact O-N 2.8Å; D300-K302 VanDerWaalsContact O-N 3.16Å; D300-K303 HydrophobicContact CB-CB 4.36Å; D300-K303 HydrophobicContact CB-CD 4.12Å; D300-K303 HydrophobicContact CB-CG 4.48Å; D300-K303 PolarHBondContact O-N 2.76Å; D300-K303 WeakPolarHBondContact OD1-CE 3.2Å; D300-K303 IonicContact OD1-NZ 2.8Å; D300-K303 PolarHBondContact OD1-NZ 3.43Å; D300-K303 IonicContact OD2-NZ 2.67Å; D300-K303 PolarHBondContact OD2-NZ 2.9Å; D300-L304 PolarHBondContact O-N 2.86Å; D300-L304 VanDerWaalsContact O-N 3.08Å
301L82.7Confident78.8Confident14 Ų1458.4 Ų58.47%0.07330%0.299CS..Hα-helixtrans-54.4-40-176.9-73.676.9000112C171 T174 V179 L183 Y298 K299 K303 L304 S305C171-L301 CarbonylContact O-C 3.47Å; T174-L301 HydrophobicContact CG2-CD2 4.27Å; V179-L301 HydrophobicContact CG2-CD2 4.49Å; L183-L301 HydrophobicContact CD2-CD2 3.9Å; Y298-L301 VanDerWaalsContact CB-CD1 3.48Å; K299-L301 VanDerWaalsContact C-N 3.25Å; K299-L301 PolarHBondContact O-N 3.38Å; L301-K303 PolarHBondContact O-N 3.31Å; L301-L304 PolarHBondContact O-N 3.28Å; L301-S305 WeakPolarHBondContact O-CB 3.31Å; L301-S305 PolarHBondContact O-N 3.38Å
302K84.8Confident80.5Confident94 Ų9454.3 Ų54.341%0.40926%0.257SS..Hα-helixtrans-60.5-42177.9-175.3172.8-171169.10112.9D300 R306D300-K302 PolarHBondContact O-N 2.8Å; D300-K302 VanDerWaalsContact O-N 3.16Å; K302-R306 VanDerWaalsContact O-CG 3.32Å; K302-R306 WeakPolarHBondContact O-CG 3.19Å; K302-R306 PolarHBondContact O-N 2.91Å; K302-R306 VanDerWaalsContact O-N 3.16Å
303K86.9Confident81.8Confident123 Ų12350.5 Ų50.554%0.53524%0.239SC..Hα-helixtrans-68.4-44.5178.5-64.9179-171.2144.40110.2D300 L301 L307D300-K303 HydrophobicContact CB-CB 4.36Å; D300-K303 HydrophobicContact CB-CD 4.12Å; D300-K303 HydrophobicContact CB-CG 4.48Å; D300-K303 PolarHBondContact O-N 2.76Å; D300-K303 WeakPolarHBondContact OD1-CE 3.2Å; D300-K303 IonicContact OD1-NZ 2.8Å; D300-K303 PolarHBondContact OD1-NZ 3.43Å; D300-K303 IonicContact OD2-NZ 2.67Å; D300-K303 PolarHBondContact OD2-NZ 2.9Å; L301-K303 PolarHBondContact O-N 3.31Å; K303-L307 WeakPolarHBondContact O-CB 3.18Å; K303-L307 PolarHBondContact O-N 2.75Å
304L86.4Confident83.2Confident0 Ų052.4 Ų52.40%024%0.239CC..Hα-helixtrans-65.3-44.6178.4-179.659.1000112.1L199 L202 L279 Y284 D300 L301 R306 L307 F308L199-L304 HydrophobicContact CD1-CD2 3.68Å; L202-L304 HydrophobicContact CD2-CD2 3.45Å; L202-L304 VanDerWaalsContact CD2-CD2 3.45Å; L202-L304 HydrophobicContact CG-CD2 4.17Å; L279-L304 HydrophobicContact CD1-CD1 4Å; L279-L304 HydrophobicContact CD2-CD1 3.85Å; Y284-L304 HydrophobicContact CD1-CB 3.71Å; Y284-L304 HydrophobicContact CD1-CD1 4.35Å; Y284-L304 HydrophobicContact CD1-CD2 4.2Å; Y284-L304 HydrophobicContact CD1-CG 4.3Å; Y284-L304 HydrophobicContact CD2-CD1 3.96Å; Y284-L304 HydrophobicContact CD2-CD2 4.2Å; Y284-L304 HydrophobicContact CE1-CB 3.81Å; Y284-L304 HydrophobicContact CE1-CD1 4.22Å; Y284-L304 HydrophobicContact CE1-CG 4.49Å; Y284-L304 HydrophobicContact CE2-CD1 3.83Å; Y284-L304 HydrophobicContact CG-CB 4.2Å; Y284-L304 HydrophobicContact CG-CD1 4.21Å; Y284-L304 HydrophobicContact CG-CD2 3.84Å; Y284-L304 HydrophobicContact CG-CG 4.31Å; D300-L304 PolarHBondContact O-N 2.86Å; D300-L304 VanDerWaalsContact O-N 3.08Å; L301-L304 PolarHBondContact O-N 3.28Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 3.32Å; L304-L307 PolarHBondContact O-N 3.07Å; L304-F308 WeakPolarHBondContact O-CB 3.48Å; L304-F308 PolarHBondContact O-N 3.15Å
305S87.9Confident84.3Confident1 Ų154.4 Ų54.41%0.00725%0.252CS..Hα-helixtrans-56.6-48.2177.6-179.20000110.8L206 L301 K309L206-S305 WeakPolarHBondContact CD2-OG 3.3Å; L301-S305 WeakPolarHBondContact O-CB 3.31Å; L301-S305 PolarHBondContact O-N 3.38Å; S305-K309 WeakPolarHBondContact O-CB 3.21Å; S305-K309 WeakPolarHBondContact O-CG 3.19Å; S305-K309 PolarHBondContact O-N 3.29Å
306R88.8Confident85.5Confident141 Ų14151.7 Ų51.753%0.53224%0.235SC..Hα-helixtrans-61.9-52.7175.3-71.5173.5179.6-170.6-4.5112K302 L304 F308 K309 D310K302-R306 VanDerWaalsContact O-CG 3.32Å; K302-R306 WeakPolarHBondContact O-CG 3.19Å; K302-R306 PolarHBondContact O-N 2.91Å; K302-R306 VanDerWaalsContact O-N 3.16Å; L304-R306 VanDerWaalsContact C-N 3.34Å; L304-R306 PolarHBondContact O-N 3.32Å; R306-F308 VanDerWaalsContact C-N 3.35Å; R306-F308 PolarHBondContact O-N 2.94Å; R306-K309 PolarHBondContact O-N 2.88Å; R306-D310 WeakPolarHBondContact O-CB 3.24Å; R306-D310 PolarHBondContact O-N 3.35Å
307L89.9Confident86.4Confident49 Ų4945.4 Ų45.426%0.25721%0.208SC..Hα-helixtrans-57.8-48.8-178.4-170165.3000111.1V277 L279 K303 L304 Q311V277-L307 HydrophobicContact CG1-CD2 4.11Å; L279-L307 HydrophobicContact CD2-CD2 3.94Å; K303-L307 WeakPolarHBondContact O-CB 3.18Å; K303-L307 PolarHBondContact O-N 2.75Å; L304-L307 PolarHBondContact O-N 3.07Å; L307-Q311 HydrophobicContact CD2-CG 4.22Å; L307-Q311 VanDerWaalsContact O-CB 3.24Å; L307-Q311 WeakPolarHBondContact O-CB 3.15Å; L307-Q311 VanDerWaalsContact O-CG 3.3Å; L307-Q311 WeakPolarHBondContact O-CG 3.21Å; L307-Q311 PolarHBondContact O-N 2.83Å
308F89.6Confident87.1Confident0 Ų047 Ų470%022%0.221CC..Hα-helixtrans-67.5-44.9-178-172.5-101.6000112V203 L206 M207 I261 L279 L304 R306 L312 V313V203-F308 HydrophobicContact CB-CZ 4.43Å; V203-F308 HydrophobicContact CG1-CE1 4.17Å; V203-F308 HydrophobicContact CG1-CE2 4.02Å; V203-F308 HydrophobicContact CG1-CZ 3.55Å; V203-F308 HydrophobicContact CG2-CD2 4.5Å; V203-F308 HydrophobicContact CG2-CE2 4.14Å; V203-F308 HydrophobicContact CG2-CZ 4.37Å; L206-F308 HydrophobicContact CB-CD1 3.84Å; L206-F308 HydrophobicContact CB-CE1 4.15Å; L206-F308 HydrophobicContact CD1-CB 3.95Å; L206-F308 HydrophobicContact CD1-CD1 3.74Å; L206-F308 HydrophobicContact CD1-CG 4.03Å; L206-F308 HydrophobicContact CG-CD1 4.46Å; M207-F308 HydrophobicContact CG-CE1 4.21Å; M207-F308 HydrophobicContact SD-CE1 4.01Å; M207-F308 HydrophobicContact SD-CZ 4.38Å; I261-F308 HydrophobicContact CD1-CD2 4.49Å; I261-F308 HydrophobicContact CD1-CE2 3.84Å; I261-F308 HydrophobicContact CG2-CE2 4.32Å; L279-F308 HydrophobicContact CD1-CD2 4.23Å; L304-F308 WeakPolarHBondContact O-CB 3.48Å; L304-F308 PolarHBondContact O-N 3.15Å; R306-F308 VanDerWaalsContact C-N 3.35Å; R306-F308 PolarHBondContact O-N 2.94Å; F308-L312 HydrophobicContact CD2-CB 4.42Å; F308-L312 HydrophobicContact CE2-CB 4.22Å; F308-L312 HydrophobicContact CE2-CD1 3.86Å; F308-L312 HydrophobicContact CE2-CD2 4.4Å; F308-L312 HydrophobicContact CE2-CG 4.38Å; F308-L312 HydrophobicContact CZ-CB 4.47Å; F308-L312 HydrophobicContact CZ-CD1 4.22Å; F308-L312 HydrophobicContact CZ-CD2 3.98Å; F308-L312 HydrophobicContact CZ-CG 4.46Å; F308-L312 WeakPolarHBondContact O-CB 3.48Å; F308-L312 PolarHBondContact O-N 3.44Å; F308-V313 HydrophobicContact CD1-CG2 3.53Å; F308-V313 HydrophobicContact CE1-CG2 3.41Å; F308-V313 VanDerWaalsContact CE1-CG2 3.41Å; F308-V313 HydrophobicContact CZ-CG2 4.34Å; F308-V313 PolarHBondContact O-N 3.13Å
309K90.2Very high87.5Confident16 Ų1649.5 Ų49.57%0.0723%0.232CC..Iπ-helixtrans-63.4-45.4177.7-71.8177.7-178.4177.60111.5E209 S305 R306 V313 Y314E209-K309 IonicContact OE2-NZ 3.03Å; E209-K309 PolarHBondContact OE2-NZ 3.18Å; S305-K309 WeakPolarHBondContact O-CB 3.21Å; S305-K309 WeakPolarHBondContact O-CG 3.19Å; S305-K309 PolarHBondContact O-N 3.29Å; R306-K309 PolarHBondContact O-N 2.88Å; K309-V313 HydrophobicContact CG-CG2 4.31Å; K309-V313 PolarHBondContact O-N 3.16Å; K309-Y314 HydrophobicContact CB-CD2 4.29Å; K309-Y314 HydrophobicContact CB-CE2 3.75Å; K309-Y314 WeakPolarHBondContact O-CD2 3.41Å; K309-Y314 PolarHBondContact O-N 2.8Å
310D89.9Confident87.8Confident100 Ų10044.2 Ų44.254%0.53521%0.21SC..Iπ-helixtrans-70.1-41.7-177.8-67.1-16.1000113.1R306 P315R306-D310 WeakPolarHBondContact O-CB 3.24Å; R306-D310 PolarHBondContact O-N 3.35Å; D310-P315 WeakPolarHBondContact O-CD 3.37Å; D310-P315 VanDerWaalsContact O-CG 3.25Å; D310-P315 WeakPolarHBondContact O-CG 3.37Å
311Q88.1Confident88.1Confident94 Ų9443.1 Ų43.144%0.43920%0.202SC..Iπ-helixtrans-87.3-30.4-174.7-65.2-172.41300113.8V277 L307 P315V277-Q311 HydrophobicContact CG2-CB 3.75Å; L307-Q311 HydrophobicContact CD2-CG 4.22Å; L307-Q311 VanDerWaalsContact O-CB 3.24Å; L307-Q311 WeakPolarHBondContact O-CB 3.15Å; L307-Q311 VanDerWaalsContact O-CG 3.3Å; L307-Q311 WeakPolarHBondContact O-CG 3.21Å; L307-Q311 PolarHBondContact O-N 2.83Å; Q311-P315 WeakPolarHBondContact O-CG 3.46Å
312L90.1Very high88.3Confident0 Ų047.7 Ų47.70%022%0.223CC..Iπ-helixtrans-117.2-57.6-174.3-164.2149.9000112L250 I261 A263 V277 F308 P315 L316L250-L312 HydrophobicContact CD2-CD1 3.99Å; L250-L312 HydrophobicContact CD2-CD2 3.88Å; I261-L312 HydrophobicContact CB-CD1 4.2Å; I261-L312 HydrophobicContact CG2-CD1 3.6Å; A263-L312 HydrophobicContact CB-CD1 4.18Å; A263-L312 HydrophobicContact CB-CD2 3.94Å; A263-L312 HydrophobicContact CB-CG 4.05Å; V277-L312 HydrophobicContact CB-CD1 4.23Å; V277-L312 HydrophobicContact CG2-CB 3.89Å; V277-L312 HydrophobicContact CG2-CD1 4.08Å; V277-L312 HydrophobicContact CG2-CG 4.45Å; F308-L312 HydrophobicContact CD2-CB 4.42Å; F308-L312 HydrophobicContact CE2-CB 4.22Å; F308-L312 HydrophobicContact CE2-CD1 3.86Å; F308-L312 HydrophobicContact CE2-CD2 4.4Å; F308-L312 HydrophobicContact CE2-CG 4.38Å; F308-L312 HydrophobicContact CZ-CB 4.47Å; F308-L312 HydrophobicContact CZ-CD1 4.22Å; F308-L312 HydrophobicContact CZ-CD2 3.98Å; F308-L312 HydrophobicContact CZ-CG 4.46Å; F308-L312 WeakPolarHBondContact O-CB 3.48Å; F308-L312 PolarHBondContact O-N 3.44Å; L312-P315 WeakPolarHBondContact O-CD 3.36Å; L312-L316 HydrophobicContact CD2-CD2 4.17Å; L312-L316 WeakPolarHBondContact O-CB 3.46Å; L312-L316 PolarHBondContact O-N 3.36Å
313V90.4Very high88.3Confident1 Ų144.8 Ų44.81%0.00621%0.213CC..Iπ-helixtrans-69.6-47.7-164.6-170.30000113M207 S210 Y212 F308 K309 L316 L317M207-V313 HydrophobicContact SD-CG1 4.17Å; M207-V313 HydrophobicContact SD-CG2 3.78Å; S210-V313 VanDerWaalsContact CB-CG1 3.46Å; Y212-V313 HydrophobicContact CD2-CG1 4.19Å; Y212-V313 HydrophobicContact CE2-CG1 3.53Å; Y212-V313 PolarHBondContact OH-O 2.83Å; F308-V313 HydrophobicContact CD1-CG2 3.53Å; F308-V313 HydrophobicContact CE1-CG2 3.41Å; F308-V313 VanDerWaalsContact CE1-CG2 3.41Å; F308-V313 HydrophobicContact CZ-CG2 4.34Å; F308-V313 PolarHBondContact O-N 3.13Å; K309-V313 HydrophobicContact CG-CG2 4.31Å; K309-V313 PolarHBondContact O-N 3.16Å; V313-L316 WeakPolarHBondContact O-CB 3.08Å; V313-L316 PolarHBondContact O-N 3.44Å; V313-L317 PolarHBondContact O-N 2.93Å
314Y89.8Confident88.2Confident91 Ų9140.9 Ų40.936%0.35720%0.197SC..Hα-helixtrans-69.8-43.8177.9-56.5-46.4000112.4K309 L316 L317 A318 F330K309-Y314 HydrophobicContact CB-CD2 4.29Å; K309-Y314 HydrophobicContact CB-CE2 3.75Å; K309-Y314 WeakPolarHBondContact O-CD2 3.41Å; K309-Y314 PolarHBondContact O-N 2.8Å; Y314-L316 VanDerWaalsContact C-N 3.29Å; Y314-L316 PolarHBondContact O-N 2.95Å; Y314-L317 PolarHBondContact O-N 3.49Å; Y314-A318 WeakPolarHBondContact O-CB 3.49Å; Y314-A318 PolarHBondContact O-N 2.96Å; Y314-F330 HydrophobicContact CD1-CD2 4.14Å; Y314-F330 AromaticContact CD1-CE2 3.64Å; Y314-F330 HydrophobicContact CD1-CE2 3.64Å; Y314-F330 HydrophobicContact CD1-CZ 4.04Å; Y314-F330 HydrophobicContact CE1-CE2 4.2Å; Y314-F330 HydrophobicContact CE1-CZ 4.13Å
315P89.3Confident88Confident46 Ų4648.1 Ų48.130%0.29924%0.236SC..Hα-helixtrans-60-37.6172-28.138.7000113.1D310 Q311 L312 F319D310-P315 WeakPolarHBondContact O-CD 3.37Å; D310-P315 VanDerWaalsContact O-CG 3.25Å; D310-P315 WeakPolarHBondContact O-CG 3.37Å; Q311-P315 WeakPolarHBondContact O-CG 3.46Å; L312-P315 WeakPolarHBondContact O-CD 3.36Å; P315-F319 VanDerWaalsContact O-CB 3.23Å; P315-F319 WeakPolarHBondContact O-CB 3.11Å; P315-F319 PolarHBondContact O-N 2.97Å
316L89.2Confident87.7Confident0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-60.6-47.6173.9176.864.5000111.3M207 Y212 A248 A263 I265 V274 L312 V313 Y314 T320M207-L316 HydrophobicContact CE-CD2 3.98Å; Y212-L316 HydrophobicContact CE1-CD2 4.22Å; A248-L316 HydrophobicContact CB-CD1 4.36Å; A248-L316 HydrophobicContact CB-CD2 4.06Å; A263-L316 HydrophobicContact CB-CD1 4.09Å; A263-L316 HydrophobicContact CB-CD2 4.35Å; I265-L316 HydrophobicContact CD1-CD1 3.83Å; I265-L316 HydrophobicContact CG1-CD1 3.63Å; V274-L316 HydrophobicContact CB-CD1 4.24Å; V274-L316 HydrophobicContact CG1-CD1 4.47Å; V274-L316 HydrophobicContact CG2-CD1 3.86Å; L312-L316 HydrophobicContact CD2-CD2 4.17Å; L312-L316 WeakPolarHBondContact O-CB 3.46Å; L312-L316 PolarHBondContact O-N 3.36Å; V313-L316 WeakPolarHBondContact O-CB 3.08Å; V313-L316 PolarHBondContact O-N 3.44Å; Y314-L316 VanDerWaalsContact C-N 3.29Å; Y314-L316 PolarHBondContact O-N 2.95Å; L316-T320 WeakPolarHBondContact O-CB 3.15Å; L316-T320 PolarHBondContact O-N 3.42Å; L316-T320 PolarHBondContact O-OG1 3.16Å
317L88Confident87.3Confident5 Ų549 Ų493%0.02626%0.257CS..Hα-helixtrans-64.6-47.1178.9-162.684.5000111.5Y212 H240 V313 Y314 F319 T320 R321 V329 F330Y212-L317 HydrophobicContact CE2-CD1 4.42Å; Y212-L317 PolarHBondContact OH-N 3.1Å; H240-L317 HydrophobicContact CB-CD1 4.29Å; H240-L317 VanDerWaalsContact CD2-CD1 3.42Å; H240-L317 WeakPolarHBondContact CD2-CD1 3.19Å; V313-L317 PolarHBondContact O-N 2.93Å; Y314-L317 PolarHBondContact O-N 3.49Å; L317-F319 PolarHBondContact O-N 3.31Å; L317-T320 PolarHBondContact O-N 3Å; L317-R321 WeakPolarHBondContact O-CB 3.42Å; L317-R321 WeakPolarHBondContact O-CG 3.32Å; L317-R321 PolarHBondContact O-N 3.46Å; L317-V329 HydrophobicContact CD2-CB 3.99Å; L317-V329 HydrophobicContact CD2-CG1 4.22Å; L317-V329 HydrophobicContact CD2-CG2 4.02Å; L317-F330 HydrophobicContact CB-CE2 4.39Å; L317-F330 HydrophobicContact CD2-CD2 4.04Å; L317-F330 HydrophobicContact CD2-CE2 3.23Å; L317-F330 HydrophobicContact CD2-CZ 3.81Å; L317-F330 HydrophobicContact CG-CE2 4.39Å
318A88.1Confident86.8Confident33 Ų3350.2 Ų50.227%0.27326%0.263SS..Hα-helixtrans-59.3-46.8178.900000111.3Y314 R321 Q322Y314-A318 WeakPolarHBondContact O-CB 3.49Å; Y314-A318 PolarHBondContact O-N 2.96Å; A318-R321 PolarHBondContact O-N 3.16Å; A318-Q322 VanDerWaalsContact O-CG 3.28Å; A318-Q322 WeakPolarHBondContact O-CG 3.45Å; A318-Q322 PolarHBondContact O-N 2.91Å
319F87.3Confident85.9Confident60 Ų6052.2 Ų52.226%0.26328%0.276SS..Hα-helixtrans-66.1-40.7177.6-174.4-84.4000112I265 K272 V274 P315 L317 R321 Q322 V323I265-F319 HydrophobicContact CD1-CD1 3.55Å; I265-F319 HydrophobicContact CD1-CE1 4.14Å; K272-F319 HydrophobicContact CB-CE1 4.06Å; K272-F319 HydrophobicContact CB-CZ 4.26Å; K272-F319 HydrophobicContact CD-CE1 4.3Å; K272-F319 HydrophobicContact CD-CZ 4.22Å; V274-F319 HydrophobicContact CB-CD1 4.26Å; V274-F319 HydrophobicContact CB-CG 4.41Å; V274-F319 HydrophobicContact CG1-CB 3.52Å; V274-F319 HydrophobicContact CG1-CD1 3.96Å; V274-F319 HydrophobicContact CG1-CD2 4.22Å; V274-F319 HydrophobicContact CG1-CG 3.64Å; V274-F319 HydrophobicContact CG2-CD1 3.5Å; V274-F319 HydrophobicContact CG2-CE1 3.79Å; V274-F319 HydrophobicContact CG2-CG 4.11Å; P315-F319 VanDerWaalsContact O-CB 3.23Å; P315-F319 WeakPolarHBondContact O-CB 3.11Å; P315-F319 PolarHBondContact O-N 2.97Å; L317-F319 PolarHBondContact O-N 3.31Å; F319-R321 VanDerWaalsContact C-N 3.29Å; F319-R321 PolarHBondContact O-N 3.08Å; F319-Q322 PolarHBondContact O-N 3.22Å; F319-V323 HydrophobicContact CD1-CG2 3.76Å; F319-V323 HydrophobicContact CE1-CG2 3.41Å; F319-V323 VanDerWaalsContact CE1-CG2 3.41Å; F319-V323 HydrophobicContact CE2-CG2 4.49Å; F319-V323 HydrophobicContact CG-CG2 4.49Å; F319-V323 HydrophobicContact CZ-CG2 3.83Å; F319-V323 WeakPolarHBondContact O-CG2 3.28Å; F319-V323 PolarHBondContact O-N 3.01Å
320T86.6Confident85Confident6 Ų656.8 Ų56.84%0.03730%0.296CS..Hα-helixtrans-58.1-45.4175.8-50.50000110.7C243 I265 L316 L317 V323 L324C243-T320 HydrophobicContact CB-CG2 3.71Å; I265-T320 HydrophobicContact CD1-CG2 4.25Å; I265-T320 WeakPolarHBondContact CD1-OG1 3.31Å; I265-T320 HydrophobicContact CG2-CG2 4.49Å; L316-T320 WeakPolarHBondContact O-CB 3.15Å; L316-T320 PolarHBondContact O-N 3.42Å; L316-T320 PolarHBondContact O-OG1 3.16Å; L317-T320 PolarHBondContact O-N 3Å; T320-V323 PolarHBondContact O-N 2.77Å; T320-L324 HydrophobicContact CG2-CD1 3.98Å; T320-L324 WeakPolarHBondContact O-CB 2.85Å; T320-L324 WeakPolarHBondContact O-CG 3.44Å; T320-L324 PolarHBondContact O-N 2.9Å
321R86.4Confident84.3Confident31 Ų3154.2 Ų54.212%0.11729%0.293CS..Hα-helixtrans-61.7-46177-77.1-72.1-173.2122.2-24.1112L242 L317 A318 F319 V323 L324 N325 L326 P327 V329L242-R321 VanDerWaalsContact CB-NH2 3.25Å; L242-R321 PolarHBondContact O-NE 3.2Å; L242-R321 PolarHBondContact O-NH2 3.36Å; L317-R321 WeakPolarHBondContact O-CB 3.42Å; L317-R321 WeakPolarHBondContact O-CG 3.32Å; L317-R321 PolarHBondContact O-N 3.46Å; A318-R321 PolarHBondContact O-N 3.16Å; F319-R321 VanDerWaalsContact C-N 3.29Å; F319-R321 PolarHBondContact O-N 3.08Å; R321-V323 PolarHBondContact O-N 2.96Å; R321-L324 CarbonylContact O-C 3.49Å; R321-L324 PolarHBondContact O-N 2.71Å; R321-N325 PolarHBondContact O-N 3.43Å; R321-L326 HydrophobicContact CB-CB 4.35Å; R321-L326 HydrophobicContact CG-CB 4.49Å; R321-L326 PolarHBondContact O-N 3.09Å; R321-P327 PolarHBondContact NH1-O 2.75Å; R321-V329 HydrophobicContact CG-CG2 4.1Å; R321-V329 VanDerWaalsContact NH1-CG2 3.31Å
322Q86.3Confident83.9Confident110 Ų11052.5 Ų52.551%0.51429%0.286SS..Hα-helixtrans-60-43.3176.8-72.8171.57.500112.4A318 F319 L324 N325A318-Q322 VanDerWaalsContact O-CG 3.28Å; A318-Q322 WeakPolarHBondContact O-CG 3.45Å; A318-Q322 PolarHBondContact O-N 2.91Å; F319-Q322 PolarHBondContact O-N 3.22Å; Q322-L324 VanDerWaalsContact C-N 3.32Å; Q322-L324 PolarHBondContact O-N 3.35Å; Q322-N325 PolarHBondContact O-N 3.14Å; Q322-N325 VanDerWaalsContact O-N 3.13Å
323V85.4Confident83.3Confident34 Ų3455.7 Ų55.721%0.20631%0.306CS..Hα-helixtrans-69.4-33179-178.20000111.8I267 K272 F319 T320 R321 N325I267-V323 HydrophobicContact CD1-CB 3.79Å; I267-V323 HydrophobicContact CD1-CG1 3.38Å; K272-V323 HydrophobicContact CD-CG1 4.3Å; K272-V323 HydrophobicContact CD-CG2 4.18Å; F319-V323 HydrophobicContact CD1-CG2 3.76Å; F319-V323 HydrophobicContact CE1-CG2 3.41Å; F319-V323 VanDerWaalsContact CE1-CG2 3.41Å; F319-V323 HydrophobicContact CE2-CG2 4.49Å; F319-V323 HydrophobicContact CG-CG2 4.49Å; F319-V323 HydrophobicContact CZ-CG2 3.83Å; F319-V323 WeakPolarHBondContact O-CG2 3.28Å; F319-V323 PolarHBondContact O-N 3.01Å; T320-V323 PolarHBondContact O-N 2.77Å; R321-V323 PolarHBondContact O-N 2.96Å; V323-N325 PolarHBondContact O-N 3.21Å
324L84.1Confident82.9Confident40 Ų4058.8 Ų58.821%0.20932%0.324CS..THydrogen-bonded Turntrans-80.52174-64.8174.8000113.1C243 I267 T320 R321 Q322 L326C243-L324 HydrophobicContact CB-CD1 3.77Å; I267-L324 HydrophobicContact CD1-CD2 4.03Å; I267-L324 HydrophobicContact CD1-CG 4.23Å; I267-L324 HydrophobicContact CG1-CD2 4.15Å; I267-L324 HydrophobicContact CG2-CD2 4.24Å; T320-L324 HydrophobicContact CG2-CD1 3.98Å; T320-L324 WeakPolarHBondContact O-CB 2.85Å; T320-L324 WeakPolarHBondContact O-CG 3.44Å; T320-L324 PolarHBondContact O-N 2.9Å; R321-L324 CarbonylContact O-C 3.49Å; R321-L324 PolarHBondContact O-N 2.71Å; Q322-L324 VanDerWaalsContact C-N 3.32Å; Q322-L324 PolarHBondContact O-N 3.35Å; L324-L326 HydrophobicContact CB-CD1 3.83Å; L324-L326 HydrophobicContact CB-CG 3.88Å; L324-L326 HydrophobicContact CD1-CD1 4.04Å; L324-L326 PolarHBondContact O-N 3.38Å
325N81.8Confident82.5Confident152 Ų15257.3 Ų57.381%0.81332%0.322SS*.THydrogen-bonded Turntrans53.233.2-173.5-56.4-61.5000113.5R321 Q322 V323R321-N325 PolarHBondContact O-N 3.43Å; Q322-N325 PolarHBondContact O-N 3.14Å; Q322-N325 VanDerWaalsContact O-N 3.13Å; V323-N325 PolarHBondContact O-N 3.21Å
326L83.3Confident82.3Confident63 Ų6359 Ų5933%0.3333%0.333SS..PPolyproline II helixtrans-93.4150176-66.8174000109.8R321 L324R321-L326 HydrophobicContact CB-CB 4.35Å; R321-L326 HydrophobicContact CG-CB 4.49Å; R321-L326 PolarHBondContact O-N 3.09Å; L324-L326 HydrophobicContact CB-CD1 3.83Å; L324-L326 HydrophobicContact CB-CG 3.88Å; L324-L326 HydrophobicContact CD1-CD1 4.04Å; L324-L326 PolarHBondContact O-N 3.38Å
327P79.9Confident82Confident99 Ų9963.5 Ų63.564%0.64336%0.357SS*.PPolyproline II helixtrans-61.9147.9176.625.6-33.5000111.3R321R321-P327 PolarHBondContact NH1-O 2.75Å
328D78.9Confident81.9Confident74 Ų7470 Ų7040%0.39639%0.387SS..PPolyproline II helixtrans-59.8143.7176.6-65.9-42.6000110.7V334D328-V334 HydrophobicContact CB-CG2 3.86Å; D328-V334 WeakPolarHBondContact O-CG1 3.32Å; D328-V334 WeakPolarHBondContact O-CG2 3.41Å
329V70.4Confident81.8Confident42 Ų4272 Ų7226%0.25539%0.392SS..SBendtrans-91-32-178.8178.60000111.5L242 L317 R321L242-V329 HydrophobicContact CD1-CG1 3.86Å; L242-V329 HydrophobicContact CD1-CG2 3.97Å; L317-V329 HydrophobicContact CD2-CB 3.99Å; L317-V329 HydrophobicContact CD2-CG1 4.22Å; L317-V329 HydrophobicContact CD2-CG2 4.02Å; R321-V329 HydrophobicContact CG-CG2 4.1Å; R321-V329 VanDerWaalsContact NH1-CG2 3.31Å
330F71.7Confident81.9Confident112 Ų11270.2 Ų70.249%0.49139%0.385SS..SBendtrans-117.3140.4-173-55.6-63.1000111Y314 L317Y314-F330 HydrophobicContact CD1-CD2 4.14Å; Y314-F330 AromaticContact CD1-CE2 3.64Å; Y314-F330 HydrophobicContact CD1-CE2 3.64Å; Y314-F330 HydrophobicContact CD1-CZ 4.04Å; Y314-F330 HydrophobicContact CE1-CE2 4.2Å; Y314-F330 HydrophobicContact CE1-CZ 4.13Å; L317-F330 HydrophobicContact CB-CE2 4.39Å; L317-F330 HydrophobicContact CD2-CD2 4.04Å; L317-F330 HydrophobicContact CD2-CE2 3.23Å; L317-F330 HydrophobicContact CD2-CZ 3.81Å; L317-F330 HydrophobicContact CG-CE2 4.39Å
331G75.2Confident82Confident46 Ų4671.6 Ų71.647%0.47439%0.391SS..SBendtrans132.5157.9170.600000113.4V333 V334G331-V333 PolarHBondContact O-N 3.23Å; G331-V333 VanDerWaalsContact O-N 3.14Å; G331-V334 PolarHBondContact O-N 3.09Å
332L79Confident82Confident58 Ų5877.3 Ų77.330%0.30441%0.413SS..THydrogen-bonded Turntrans-55.8-31.4177.5-177.563.2000112.1V334 L335 K340 I343 L355 L362L332-V334 VanDerWaalsContact C-N 3.34Å; L332-L335 HydrophobicContact CD1-CD1 3.97Å; L332-K340 WeakPolarHBondContact O-CE 3.4Å; L332-I343 HydrophobicContact CD1-CD1 3.83Å; L332-L355 HydrophobicContact CD2-CD2 4.45Å; L332-L362 HydrophobicContact CD2-CD1 4.36Å; L332-L362 HydrophobicContact CD2-CD2 3.96Å; L332-L362 HydrophobicContact CG-CD2 4.02Å
333V77.8Confident82.1Confident67 Ų6775.3 Ų75.341%0.40641%0.405SS..THydrogen-bonded Turntrans-71.3-28.3179.7-174.80000112.2G331 K340 D361G331-V333 PolarHBondContact O-N 3.23Å; G331-V333 VanDerWaalsContact O-N 3.14Å; V333-K340 WeakPolarHBondContact O-CE 2.97Å; V333-K340 PolarHBondContact O-NZ 2.77Å; V333-D361 HydrophobicContact CG1-CB 4.31Å
334V82.2Confident82.4Confident65 Ų6573.7 Ų73.739%0.39440%0.395SS..THydrogen-bonded Turntrans-79.9-22.4-179-176.10000111.7D328 G331 L332D328-V334 HydrophobicContact CB-CG2 3.86Å; D328-V334 WeakPolarHBondContact O-CG1 3.32Å; D328-V334 WeakPolarHBondContact O-CG2 3.41Å; G331-V334 PolarHBondContact O-N 3.09Å; L332-V334 VanDerWaalsContact C-N 3.34Å
335L82.4Confident82.6Confident61 Ų6178 Ų7832%0.31941%0.409SS..SBendtrans-60.5144.8-177.2-68.2175.2000112.7L332 L339 K340 I343L332-L335 HydrophobicContact CD1-CD1 3.97Å; L335-L339 HydrophobicContact CB-CB 4.41Å; L335-L339 HydrophobicContact CD2-CD1 4.14Å; L335-K340 HydrophobicContact CB-CG 4.05Å; L335-K340 WeakPolarHBondContact O-CE 3.38Å; L335-K340 PolarHBondContact O-NZ 3.49Å; L335-I343 HydrophobicContact CD1-CD1 3.9Å
336P83.4Confident82.9Confident80 Ų8077.5 Ų77.552%0.51941%0.405SS..  trans-52.7148167.4-25.633.5000111.9E338 L339 K340P336-E338 PolarHBondContact O-N 2.86Å; P336-L339 PolarHBondContact O-N 3.02Å; P336-L339 VanDerWaalsContact O-N 3.07Å; P336-K340 PolarHBondContact O-N 3.1Å
337L83.4Confident83.2Confident95 Ų9576.9 Ų76.950%0.49740%0.402SS..Hα-helixtrans-55.1-38.5-177.6-179.861.5000111.9L339 K340 L341 A365L337-L339 VanDerWaalsContact C-N 3.34Å; L337-L339 PolarHBondContact O-N 3.42Å; L337-K340 WeakPolarHBondContact O-CB 3.07Å; L337-K340 PolarHBondContact O-N 3.45Å; L337-L341 HydrophobicContact CD1-CD1 4.18Å; L337-L341 HydrophobicContact CD1-CD2 4.37Å; L337-L341 HydrophobicContact CD1-CG 4.01Å; L337-L341 HydrophobicContact CD2-CD1 4.43Å; L337-L341 HydrophobicContact CG-CD1 3.85Å; L337-L341 HydrophobicContact CG-CG 4.15Å; L337-L341 VanDerWaalsContact O-CG 3.26Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.24Å; L337-A365 HydrophobicContact CD1-CB 3.75Å
338E85.8Confident83.6Confident142 Ų14275.6 Ų75.666%0.66439%0.39SS*.Hα-helixtrans-57.9-43.3178.4-61.3-179.3-163.500113.1P336 L341 R342P336-E338 PolarHBondContact O-N 2.86Å; E338-L341 PolarHBondContact O-N 2.8Å; E338-R342 WeakPolarHBondContact O-CG 3.38Å; E338-R342 PolarHBondContact O-N 3.31Å
339L86.8Confident84.1Confident74 Ų7472.7 Ų72.739%0.38738%0.375SS..Hα-helixtrans-71.1-39.9178.9-63.9-174.5000111L335 P336 L337 L341 R342 I343L335-L339 HydrophobicContact CB-CB 4.41Å; L335-L339 HydrophobicContact CD2-CD1 4.14Å; P336-L339 PolarHBondContact O-N 3.02Å; P336-L339 VanDerWaalsContact O-N 3.07Å; L337-L339 VanDerWaalsContact C-N 3.34Å; L337-L339 PolarHBondContact O-N 3.42Å; L339-L341 VanDerWaalsContact C-N 3.34Å; L339-L341 PolarHBondContact O-N 3.33Å; L339-R342 PolarHBondContact O-N 3.42Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.39Å; L339-I343 PolarHBondContact O-N 2.86Å
340K89.1Confident84.9Confident24 Ų2476.9 Ų76.910%0.10439%0.391CS..Hα-helixtrans-57.8-46.9173.5-68.5172174.4153.30111.1L332 V333 L335 P336 L337 R342 I343 F344L332-K340 WeakPolarHBondContact O-CE 3.4Å; V333-K340 WeakPolarHBondContact O-CE 2.97Å; V333-K340 PolarHBondContact O-NZ 2.77Å; L335-K340 HydrophobicContact CB-CG 4.05Å; L335-K340 WeakPolarHBondContact O-CE 3.38Å; L335-K340 PolarHBondContact O-NZ 3.49Å; P336-K340 PolarHBondContact O-N 3.1Å; L337-K340 WeakPolarHBondContact O-CB 3.07Å; L337-K340 PolarHBondContact O-N 3.45Å; K340-R342 PolarHBondContact O-N 2.99Å; K340-I343 PolarHBondContact O-N 3.08Å; K340-F344 WeakPolarHBondContact O-CB 3.3Å; K340-F344 VanDerWaalsContact O-CD1 3.27Å; K340-F344 WeakPolarHBondContact O-CD1 3.46Å; K340-F344 WeakPolarHBondContact O-CG 3.49Å; K340-F344 PolarHBondContact O-N 3.35Å
341L88.5Confident85.9Confident34 Ų3473.7 Ų73.718%0.17838%0.383CS..Hα-helixtrans-65.8-38.4179.2-67.2173.1000112.3L337 E338 L339 I343 F344 R345 A365 D368 L371L337-L341 HydrophobicContact CD1-CD1 4.18Å; L337-L341 HydrophobicContact CD1-CD2 4.37Å; L337-L341 HydrophobicContact CD1-CG 4.01Å; L337-L341 HydrophobicContact CD2-CD1 4.43Å; L337-L341 HydrophobicContact CG-CD1 3.85Å; L337-L341 HydrophobicContact CG-CG 4.15Å; L337-L341 VanDerWaalsContact O-CG 3.26Å; L337-L341 WeakPolarHBondContact O-CG 3.45Å; L337-L341 PolarHBondContact O-N 3.24Å; E338-L341 PolarHBondContact O-N 2.8Å; L339-L341 VanDerWaalsContact C-N 3.34Å; L339-L341 PolarHBondContact O-N 3.33Å; L341-I343 VanDerWaalsContact C-N 3.34Å; L341-I343 PolarHBondContact O-N 3.28Å; L341-F344 PolarHBondContact O-N 3.05Å; L341-R345 WeakPolarHBondContact O-CB 3.23Å; L341-R345 PolarHBondContact O-N 3Å; L341-A365 WeakPolarHBondContact CD2-O 3.4Å; L341-D368 WeakPolarHBondContact CD1-OD2 3.35Å; L341-D368 HydrophobicContact CD2-CB 3.8Å; L341-D368 VanDerWaalsContact CD2-OD2 3.31Å; L341-D368 WeakPolarHBondContact CD2-OD2 3.41Å; L341-L371 HydrophobicContact CD2-CB 4.19Å
342R86.4Confident86.6Confident152 Ų15271.6 Ų71.657%0.57436%0.361SS*.Hα-helixtrans-61.3-42.5173.3-76.3-179.1-176-166.63.7111.8E338 L339 K340E338-R342 WeakPolarHBondContact O-CG 3.38Å; E338-R342 PolarHBondContact O-N 3.31Å; L339-R342 PolarHBondContact O-N 3.42Å; K340-R342 PolarHBondContact O-N 2.99Å
343I89.6Confident87.1Confident67 Ų6772.7 Ų72.734%0.34437%0.367SS..Hα-helixtrans-64.9-47.1175.2-65.3163.7000109.9L332 L335 L339 K340 L341 R345 L346L332-I343 HydrophobicContact CD1-CD1 3.83Å; L335-I343 HydrophobicContact CD1-CD1 3.9Å; L339-I343 VanDerWaalsContact O-CG1 3.28Å; L339-I343 WeakPolarHBondContact O-CG1 3.39Å; L339-I343 PolarHBondContact O-N 2.86Å; K340-I343 PolarHBondContact O-N 3.08Å; L341-I343 VanDerWaalsContact C-N 3.34Å; L341-I343 PolarHBondContact O-N 3.28Å; I343-R345 VanDerWaalsContact C-N 3.26Å; I343-R345 PolarHBondContact O-N 3.22Å; I343-L346 WeakPolarHBondContact O-CB 3.47Å; I343-L346 PolarHBondContact O-N 3.17Å
344F89.8Confident87.8Confident0 Ų072.4 Ų72.40%037%0.371CS..Hα-helixtrans-62.4-32.9-179.4-68.6-1000112.9K340 L341 L346 L347 L355 L362 A365 L371K340-F344 WeakPolarHBondContact O-CB 3.3Å; K340-F344 VanDerWaalsContact O-CD1 3.27Å; K340-F344 WeakPolarHBondContact O-CD1 3.46Å; K340-F344 WeakPolarHBondContact O-CG 3.49Å; K340-F344 PolarHBondContact O-N 3.35Å; L341-F344 PolarHBondContact O-N 3.05Å; F344-L346 PolarHBondContact O-N 3.18Å; F344-L347 HydrophobicContact CD1-CD1 4.27Å; F344-L347 PolarHBondContact O-N 3.36Å; F344-L347 VanDerWaalsContact O-N 3.13Å; F344-L355 HydrophobicContact CD1-CD1 4.14Å; F344-L355 HydrophobicContact CE1-CD1 3.84Å; F344-L362 HydrophobicContact CE1-CD2 4.26Å; F344-L362 HydrophobicContact CZ-CB 4.46Å; F344-L362 HydrophobicContact CZ-CD2 3.68Å; F344-A365 HydrophobicContact CE2-CB 3.67Å; F344-A365 HydrophobicContact CZ-CB 4.34Å; F344-L371 HydrophobicContact CB-CD1 3.67Å; F344-L371 HydrophobicContact CB-CD2 3.85Å; F344-L371 HydrophobicContact CB-CG 4.43Å; F344-L371 HydrophobicContact CD2-CD2 3.86Å; F344-L371 HydrophobicContact CG-CD2 4.36Å
345R89.1Confident88.1Confident132 Ų13271.1 Ų71.150%0.49836%0.362SS..Hα-helixtrans-62.3-28.4174.3-174.9178.366.8171.82.4112.9L341 I343 L347 L371 C374 R378L341-R345 WeakPolarHBondContact O-CB 3.23Å; L341-R345 PolarHBondContact O-N 3Å; I343-R345 VanDerWaalsContact C-N 3.26Å; I343-R345 PolarHBondContact O-N 3.22Å; R345-L347 VanDerWaalsContact C-N 3.35Å; R345-L371 HydrophobicContact CB-CD1 4.47Å; R345-C374 HydrophobicContact CG-CB 4.44Å; R345-R378 PolarHBondContact O-NH1 3.24Å
346L88.1Confident88.4Confident140 Ų14069.2 Ų69.273%0.73335%0.354SS*.Hα-helixtrans-80.9-17.6177.8-61.3173.8000112.5I343 F344I343-L346 WeakPolarHBondContact O-CB 3.47Å; I343-L346 PolarHBondContact O-N 3.17Å; F344-L346 PolarHBondContact O-N 3.18Å
347L89.1Confident88.8Confident51 Ų5169.6 Ų69.627%0.26736%0.364SS..SBendtrans-85.5157.5-176.5-63.3175.3000112.5F344 R345 V352 L355 R378F344-L347 HydrophobicContact CD1-CD1 4.27Å; F344-L347 PolarHBondContact O-N 3.36Å; F344-L347 VanDerWaalsContact O-N 3.13Å; R345-L347 VanDerWaalsContact C-N 3.35Å; L347-V352 HydrophobicContact CB-CG2 3.94Å; L347-L355 HydrophobicContact CD1-CD1 3.3Å; L347-R378 PolarHBondContact O-NH1 3.07Å; L347-R378 PolarHBondContact O-NH2 2.92Å
348D89.1Confident89Confident72 Ų7270.5 Ų70.539%0.38537%0.373SS..  trans-78160.2168.869.7-65.4000111H350 S351 V352D348-H350 VanDerWaalsContact C-N 3.28Å; D348-H350 PolarHBondContact O-N 3.19Å; D348-H350 WeakPolarHBondContact OD2-CB 3.43Å; D348-H350 PolarHBondContact OD2-N 2.88Å; D348-S351 PolarHBondContact O-N 3.31Å; D348-S351 WeakPolarHBondContact OD1-CB 3.47Å; D348-S351 PolarHBondContact OD1-OG 2.64Å; D348-S351 PolarHBondContact OD2-N 3.27Å; D348-S351 VanDerWaalsContact OD2-N 3.12Å; D348-V352 WeakPolarHBondContact O-CG2 3.41Å; D348-V352 PolarHBondContact O-N 3.33Å
349V88.3Confident89.1Confident12 Ų1265.5 Ų65.57%0.07335%0.353CS..Hα-helixtrans-66.8-29.4-174.3176.80000113.1V352 L353 W372 L375 Y396V349-V352 PolarHBondContact O-N 3.03Å; V349-L353 HydrophobicContact CG1-CD1 4.23Å; V349-L353 HydrophobicContact CG1-CG 4.42Å; V349-L353 VanDerWaalsContact O-CG 3.3Å; V349-L353 WeakPolarHBondContact O-CG 3.44Å; V349-L353 PolarHBondContact O-N 3.48Å; V349-W372 HydrophobicContact CG1-CH2 4.13Å; V349-W372 HydrophobicContact CG1-CZ3 3.98Å; V349-L375 HydrophobicContact CG2-CD1 4.31Å; V349-Y396 HydrophobicContact CB-CE1 4.22Å; V349-Y396 HydrophobicContact CG1-CD1 4.49Å; V349-Y396 HydrophobicContact CG1-CE1 3.8Å; V349-Y396 HydrophobicContact CG2-CE1 3.81Å; V349-Y396 HydrophobicContact CG2-CE2 4.03Å; V349-Y396 WeakPolarHBondContact CG2-OH 3.37Å
350H88.9Confident89.1Confident130 Ų13067.9 Ų67.960%0.60236%0.362SS*.Hα-helixtrans-69.1-42.9177.4-61.373.6000110D348 L353 A354D348-H350 VanDerWaalsContact C-N 3.28Å; D348-H350 PolarHBondContact O-N 3.19Å; D348-H350 WeakPolarHBondContact OD2-CB 3.43Å; D348-H350 PolarHBondContact OD2-N 2.88Å; H350-L353 PolarHBondContact O-N 3.28Å; H350-A354 WeakPolarHBondContact O-CB 3.11Å; H350-A354 PolarHBondContact O-N 3.44Å
351S91.5Very high89Confident46 Ų4670.6 Ų70.632%0.32238%0.378SS..Hα-helixtrans-64.6-38.2174-60.70000113.1D348 L353 A354 L355D348-S351 PolarHBondContact O-N 3.31Å; D348-S351 WeakPolarHBondContact OD1-CB 3.47Å; D348-S351 PolarHBondContact OD1-OG 2.64Å; D348-S351 PolarHBondContact OD2-N 3.27Å; D348-S351 VanDerWaalsContact OD2-N 3.12Å; S351-L353 VanDerWaalsContact C-N 3.35Å; S351-L353 PolarHBondContact O-N 2.98Å; S351-A354 PolarHBondContact O-N 2.74Å; S351-L355 WeakPolarHBondContact O-CB 3.3Å; S351-L355 WeakPolarHBondContact O-CG 3.33Å; S351-L355 PolarHBondContact O-N 3.5Å
352V90.2Very high88.9Confident1 Ų169.4 Ų69.41%0.00637%0.372CS..Hα-helixtrans-62.6-42.2175174.10000111.3L347 D348 V349 L355 S356 L371 W372L347-V352 HydrophobicContact CB-CG2 3.94Å; D348-V352 WeakPolarHBondContact O-CG2 3.41Å; D348-V352 PolarHBondContact O-N 3.33Å; V349-V352 PolarHBondContact O-N 3.03Å; V352-L355 PolarHBondContact O-N 3.5Å; V352-S356 PolarHBondContact O-N 2.99Å; V352-L371 HydrophobicContact CG1-CD2 4.38Å; V352-W372 HydrophobicContact CG1-CZ2 4.47Å
353L89.9Confident88.9Confident82 Ų8265.2 Ų65.243%0.42936%0.36SS..Hα-helixtrans-67.3-39.2175.4-69174000111.8V349 H350 S351 S356 A357 W372V349-L353 HydrophobicContact CG1-CD1 4.23Å; V349-L353 HydrophobicContact CG1-CG 4.42Å; V349-L353 VanDerWaalsContact O-CG 3.3Å; V349-L353 WeakPolarHBondContact O-CG 3.44Å; V349-L353 PolarHBondContact O-N 3.48Å; H350-L353 PolarHBondContact O-N 3.28Å; S351-L353 VanDerWaalsContact C-N 3.35Å; S351-L353 PolarHBondContact O-N 2.98Å; L353-S356 PolarHBondContact O-N 3.44Å; L353-S356 PolarHBondContact O-OG 2.63Å; L353-A357 PolarHBondContact O-N 3.08Å; L353-W372 HydrophobicContact CD2-CH2 4.28Å
354A91.3Very high88.9Confident60 Ų6066.8 Ų66.850%0.49637%0.368SS..Hα-helixtrans-61.6-44.8174.500000111.3H350 S351 S356 A357H350-A354 WeakPolarHBondContact O-CB 3.11Å; H350-A354 PolarHBondContact O-N 3.44Å; S351-A354 PolarHBondContact O-N 2.74Å; A354-S356 VanDerWaalsContact C-N 3.29Å; A354-S356 PolarHBondContact O-N 3.32Å; A354-A357 WeakPolarHBondContact O-CB 3.21Å; A354-A357 PolarHBondContact O-N 2.85Å; A354-A357 VanDerWaalsContact O-N 3.09Å
355L89Confident88.8Confident39 Ų3967 Ų6720%0.20437%0.37CS..Hα-helixtrans-59.3-39.8174.8-76.2169.9000112.4L332 F344 L347 S351 V352 A357 V358 L362L332-L355 HydrophobicContact CD2-CD2 4.45Å; F344-L355 HydrophobicContact CD1-CD1 4.14Å; F344-L355 HydrophobicContact CE1-CD1 3.84Å; L347-L355 HydrophobicContact CD1-CD1 3.3Å; S351-L355 WeakPolarHBondContact O-CB 3.3Å; S351-L355 WeakPolarHBondContact O-CG 3.33Å; S351-L355 PolarHBondContact O-N 3.5Å; V352-L355 PolarHBondContact O-N 3.5Å; L355-A357 PolarHBondContact O-N 3.29Å; L355-V358 PolarHBondContact O-N 3.47Å; L355-V358 VanDerWaalsContact O-N 3.09Å; L355-L362 HydrophobicContact CD2-CD1 4.45Å
356S89.4Confident88.8Confident21 Ų2160.8 Ų60.815%0.14735%0.347CS..Hα-helixtrans-63.9-22.5177.9810000113.3V352 L353 A354 S366V352-S356 PolarHBondContact O-N 2.99Å; L353-S356 PolarHBondContact O-N 3.44Å; L353-S356 PolarHBondContact O-OG 2.63Å; A354-S356 VanDerWaalsContact C-N 3.29Å; A354-S356 PolarHBondContact O-N 3.32Å; S356-S366 VanDerWaalsContact CB-OG 3.3Å; S356-S366 WeakPolarHBondContact CB-OG 3.27Å
357A90.6Very high88.8Confident88 Ų8857.4 Ų57.473%0.72733%0.329SS*.THydrogen-bonded Turntrans-85.3-12.517700000113.4L353 A354 L355L353-A357 PolarHBondContact O-N 3.08Å; A354-A357 WeakPolarHBondContact O-CB 3.21Å; A354-A357 PolarHBondContact O-N 2.85Å; A354-A357 VanDerWaalsContact O-N 3.09Å; L355-A357 PolarHBondContact O-N 3.29Å
358V89.6Confident88.8Confident113 Ų11356.4 Ų56.469%0.68532%0.324SS*.THydrogen-bonded Turntrans-81-46.4-175.8-179.60000111.6L355L355-V358 PolarHBondContact O-N 3.47Å; L355-V358 VanDerWaalsContact O-N 3.09Å
359C86.2Confident88.7Confident38 Ų3856.6 Ų56.626%0.25733%0.33SS..  trans-149.9159.4178.478.90000113.9D361 L362 L363C359-D361 PolarHBondContact O-N 2.88Å; C359-L362 PolarHBondContact O-N 3.45Å; C359-L362 VanDerWaalsContact SG-CB 3.53Å; C359-L362 WeakPolarHBondContact SG-CD1 3.41Å; C359-L362 WeakPolarHBondContact SG-CG 3.31Å; C359-L362 PolarHBondContact SG-N 3.3Å; C359-L362 VanDerWaalsContact SG-N 3.35Å; C359-L363 WeakPolarHBondContact O-CB 3.48Å; C359-L363 PolarHBondContact O-N 3.25Å
360H87.1Confident88.7Confident124 Ų12461.2 Ų61.257%0.57435%0.353SS*.Hα-helixtrans-60-40.6179.4166.7-92000113.2L363 I364H360-L363 VanDerWaalsContact O-CB 3.31Å; H360-L363 WeakPolarHBondContact O-CB 3.13Å; H360-L363 PolarHBondContact O-N 2.97Å; H360-I364 WeakPolarHBondContact CE1-CD1 3.26Å; H360-I364 WeakPolarHBondContact NE2-CD1 3.28Å; H360-I364 WeakPolarHBondContact O-CG1 3.47Å; H360-I364 PolarHBondContact O-N 3.5Å
361D86.6Confident88.7Confident81 Ų8155.3 Ų55.343%0.43333%0.326SS..Hα-helixtrans-72.9-36.7-176-61-14.4000111.9V333 C359 L363 I364 A365V333-D361 HydrophobicContact CG1-CB 4.31Å; C359-D361 PolarHBondContact O-N 2.88Å; D361-L363 VanDerWaalsContact C-N 3.33Å; D361-I364 PolarHBondContact O-N 3.07Å; D361-A365 WeakPolarHBondContact O-CB 3.34Å; D361-A365 PolarHBondContact O-N 2.89Å
362L87Confident88.6Confident9 Ų953.4 Ų53.45%0.04731%0.312CS..Hα-helixtrans-70.6-32.6171.6-64.5172.1000110.9L332 F344 L355 C359 A365 S366L332-L362 HydrophobicContact CD2-CD1 4.36Å; L332-L362 HydrophobicContact CD2-CD2 3.96Å; L332-L362 HydrophobicContact CG-CD2 4.02Å; F344-L362 HydrophobicContact CE1-CD2 4.26Å; F344-L362 HydrophobicContact CZ-CB 4.46Å; F344-L362 HydrophobicContact CZ-CD2 3.68Å; L355-L362 HydrophobicContact CD2-CD1 4.45Å; C359-L362 PolarHBondContact O-N 3.45Å; C359-L362 VanDerWaalsContact SG-CB 3.53Å; C359-L362 WeakPolarHBondContact SG-CD1 3.41Å; C359-L362 WeakPolarHBondContact SG-CG 3.31Å; C359-L362 PolarHBondContact SG-N 3.3Å; C359-L362 VanDerWaalsContact SG-N 3.35Å; L362-A365 PolarHBondContact O-N 3.17Å; L362-S366 VanDerWaalsContact O-CB 3.23Å; L362-S366 WeakPolarHBondContact O-CB 3.35Å; L362-S366 PolarHBondContact O-N 3.16Å; L362-S366 PolarHBondContact O-OG 2.53Å
363L87.7Confident88.4Confident64 Ų6459.2 Ų59.234%0.33533%0.333SS..Hα-helixtrans-60.3-49.2171.2176.564.4000110.8C359 H360 D361 A365 S366 N367C359-L363 WeakPolarHBondContact O-CB 3.48Å; C359-L363 PolarHBondContact O-N 3.25Å; H360-L363 VanDerWaalsContact O-CB 3.31Å; H360-L363 WeakPolarHBondContact O-CB 3.13Å; H360-L363 PolarHBondContact O-N 2.97Å; D361-L363 VanDerWaalsContact C-N 3.33Å; L363-A365 PolarHBondContact O-N 3.12Å; L363-S366 PolarHBondContact O-N 3.23Å; L363-S366 PolarHBondContact O-OG 3.2Å; L363-N367 VanDerWaalsContact O-CG 3.22Å; L363-N367 PolarHBondContact O-N 2.83Å; L363-N367 VanDerWaalsContact O-N 3.08Å; L363-N367 PolarHBondContact O-ND2 3.28Å; L363-N367 VanDerWaalsContact O-ND2 3.1Å
364I89.1Confident88.2Confident100 Ų10057.9 Ų57.951%0.51333%0.331SS..Hα-helixtrans-57.9-50.1175.7-68.7173.2000110.4H360 D361 S366 N367H360-I364 WeakPolarHBondContact CE1-CD1 3.26Å; H360-I364 WeakPolarHBondContact NE2-CD1 3.28Å; H360-I364 WeakPolarHBondContact O-CG1 3.47Å; H360-I364 PolarHBondContact O-N 3.5Å; D361-I364 PolarHBondContact O-N 3.07Å; I364-S366 VanDerWaalsContact C-N 3.29Å; I364-S366 PolarHBondContact O-N 3.13Å; I364-N367 PolarHBondContact O-N 3Å; I364-N367 VanDerWaalsContact O-N 3.08Å
365A87.8Confident88Confident4 Ų455 Ų553%0.03331%0.307CS..Hα-helixtrans-62.3-35179.600000112.7L337 L341 F344 D361 L362 L363 N367 D368L337-A365 HydrophobicContact CD1-CB 3.75Å; L341-A365 WeakPolarHBondContact CD2-O 3.4Å; F344-A365 HydrophobicContact CE2-CB 3.67Å; F344-A365 HydrophobicContact CZ-CB 4.34Å; D361-A365 WeakPolarHBondContact O-CB 3.34Å; D361-A365 PolarHBondContact O-N 2.89Å; L362-A365 PolarHBondContact O-N 3.17Å; L363-A365 PolarHBondContact O-N 3.12Å; A365-N367 VanDerWaalsContact C-N 3.27Å; A365-N367 PolarHBondContact O-N 2.92Å; A365-D368 PolarHBondContact O-N 3.5Å
366S87.9Confident87.9Confident2 Ų253.4 Ų53.41%0.01430%0.298CS..Hα-helixtrans-73.4-18.4177.276.30000113.3S356 L362 L363 I364 D368 W372S356-S366 VanDerWaalsContact CB-OG 3.3Å; S356-S366 WeakPolarHBondContact CB-OG 3.27Å; L362-S366 VanDerWaalsContact O-CB 3.23Å; L362-S366 WeakPolarHBondContact O-CB 3.35Å; L362-S366 PolarHBondContact O-N 3.16Å; L362-S366 PolarHBondContact O-OG 2.53Å; L363-S366 PolarHBondContact O-N 3.23Å; L363-S366 PolarHBondContact O-OG 3.2Å; I364-S366 VanDerWaalsContact C-N 3.29Å; I364-S366 PolarHBondContact O-N 3.13Å; S366-D368 VanDerWaalsContact C-N 3.3Å; S366-W372 PolarHBondContact O-NE1 3.31Å
367N88.2Confident87.7Confident68 Ų6856 Ų5636%0.36431%0.31SS..THydrogen-bonded Turntrans-86.3-0.3179.5-73.4-31.8000113.2L363 I364 A365 K393L363-N367 VanDerWaalsContact O-CG 3.22Å; L363-N367 PolarHBondContact O-N 2.83Å; L363-N367 VanDerWaalsContact O-N 3.08Å; L363-N367 PolarHBondContact O-ND2 3.28Å; L363-N367 VanDerWaalsContact O-ND2 3.1Å; I364-N367 PolarHBondContact O-N 3Å; I364-N367 VanDerWaalsContact O-N 3.08Å; A365-N367 VanDerWaalsContact C-N 3.27Å; A365-N367 PolarHBondContact O-N 2.92Å; N367-K393 PolarHBondContact OD1-NZ 3.3Å
368D89.8Confident87.4Confident31 Ų3156.6 Ų56.617%0.16629%0.294CS..  trans-60.3123.5180177.717.6000111.9L341 A365 S366 L370 L371 W372L341-D368 WeakPolarHBondContact CD1-OD2 3.35Å; L341-D368 HydrophobicContact CD2-CB 3.8Å; L341-D368 VanDerWaalsContact CD2-OD2 3.31Å; L341-D368 WeakPolarHBondContact CD2-OD2 3.41Å; A365-D368 PolarHBondContact O-N 3.5Å; S366-D368 VanDerWaalsContact C-N 3.3Å; D368-L370 PolarHBondContact O-N 3.39Å; D368-L370 PolarHBondContact OD1-N 3.41Å; D368-L370 VanDerWaalsContact OD1-N 3.16Å; D368-L371 HydrophobicContact CB-CB 4.31Å; D368-L371 WeakPolarHBondContact O-CB 3.03Å; D368-L371 PolarHBondContact O-N 2.83Å; D368-W372 VanDerWaalsContact O-CD1 3.24Å; D368-W372 PolarHBondContact O-N 3.4Å
369P87.4Confident87.2Confident76 Ų7653.4 Ų53.449%0.49427%0.272SS..Hα-helixtrans-57.8-32.3178.422.7-35.7000113.7W372 R373P369-W372 PolarHBondContact O-N 3.47Å; P369-R373 PolarHBondContact O-N 3.46Å
370L86.9Confident87Confident108 Ų10852.9 Ų52.957%0.56527%0.266SS*.Hα-helixtrans-68.4-38.4-179.2-62.3178.8000111.8D368 R373 C374D368-L370 PolarHBondContact O-N 3.39Å; D368-L370 PolarHBondContact OD1-N 3.41Å; D368-L370 VanDerWaalsContact OD1-N 3.16Å; L370-R373 WeakPolarHBondContact O-CB 3.46Å; L370-R373 PolarHBondContact O-N 3.25Å; L370-C374 PolarHBondContact O-N 3.16Å; L370-C374 PolarHBondContact O-SG 2.99Å
371L88.8Confident86.4Confident7 Ų755.1 Ų55.14%0.03728%0.277CS..Hα-helixtrans-58.8-49.9173.5177.765.7000111.1L341 F344 R345 V352 D368 R373 C374 L375L341-L371 HydrophobicContact CD2-CB 4.19Å; F344-L371 HydrophobicContact CB-CD1 3.67Å; F344-L371 HydrophobicContact CB-CD2 3.85Å; F344-L371 HydrophobicContact CB-CG 4.43Å; F344-L371 HydrophobicContact CD2-CD2 3.86Å; F344-L371 HydrophobicContact CG-CD2 4.36Å; R345-L371 HydrophobicContact CB-CD1 4.47Å; V352-L371 HydrophobicContact CG1-CD2 4.38Å; D368-L371 HydrophobicContact CB-CB 4.31Å; D368-L371 WeakPolarHBondContact O-CB 3.03Å; D368-L371 PolarHBondContact O-N 2.83Å; L371-R373 VanDerWaalsContact C-N 3.3Å; L371-R373 PolarHBondContact O-N 3.25Å; L371-C374 PolarHBondContact O-N 3.17Å; L371-C374 VanDerWaalsContact O-N 3.17Å; L371-L375 HydrophobicContact CD1-CD1 4.24Å; L371-L375 HydrophobicContact CD1-CG 4.33Å; L371-L375 HydrophobicContact CG-CD1 3.98Å; L371-L375 HydrophobicContact CG-CG 4.44Å; L371-L375 WeakPolarHBondContact O-CG 3.43Å; L371-L375 PolarHBondContact O-N 2.94Å
372W89.5Confident85.8Confident6 Ų653.1 Ų53.12%0.02327%0.266CS..Hα-helixtrans-65.6-33.5-179.8-70.1101.5000112.6V349 V352 L353 S366 D368 P369 L375 Y376 W392 K393 Y396V349-W372 HydrophobicContact CG1-CH2 4.13Å; V349-W372 HydrophobicContact CG1-CZ3 3.98Å; V352-W372 HydrophobicContact CG1-CZ2 4.47Å; L353-W372 HydrophobicContact CD2-CH2 4.28Å; S366-W372 PolarHBondContact O-NE1 3.31Å; D368-W372 VanDerWaalsContact O-CD1 3.24Å; D368-W372 PolarHBondContact O-N 3.4Å; P369-W372 PolarHBondContact O-N 3.47Å; W372-L375 HydrophobicContact CE3-CD1 4.15Å; W372-L375 HydrophobicContact CZ3-CD1 4.3Å; W372-Y376 WeakPolarHBondContact O-CB 3.26Å; W372-Y376 PolarHBondContact O-N 3.01Å; W372-W392 HydrophobicContact CB-CB 3.68Å; W372-K393 HydrophobicContact CB-CB 4.33Å; W372-K393 HydrophobicContact CD2-CB 3.91Å; W372-K393 HydrophobicContact CD2-CD 4.42Å; W372-K393 HydrophobicContact CD2-CG 3.78Å; W372-K393 HydrophobicContact CE3-CG 4.31Å; W372-K393 HydrophobicContact CG-CB 3.73Å; W372-K393 HydrophobicContact CG-CG 4.12Å; W372-K393 HydrophobicContact CZ2-CD 4.07Å; W372-K393 HydrophobicContact CZ2-CG 4.02Å; W372-Y396 HydrophobicContact CE3-CD1 4.31Å; W372-Y396 HydrophobicContact CE3-CD2 4.43Å; W372-Y396 AromaticContact CE3-CG 4Å; W372-Y396 HydrophobicContact CE3-CG 4Å; W372-Y396 AromaticContact CZ3-CD1 3.98Å; W372-Y396 HydrophobicContact CZ3-CD1 3.98Å; W372-Y396 HydrophobicContact CZ3-CG 4.14Å
373R87.1Confident84.5Confident122 Ų12256.4 Ų56.446%0.4630%0.302SS..Hα-helixtrans-60.7-48170.8-177.9178.7174.3-179.6-1.2111.3P369 L370 L371 Y376 L377 W392P369-R373 PolarHBondContact O-N 3.46Å; L370-R373 WeakPolarHBondContact O-CB 3.46Å; L370-R373 PolarHBondContact O-N 3.25Å; L371-R373 VanDerWaalsContact C-N 3.3Å; L371-R373 PolarHBondContact O-N 3.25Å; R373-Y376 PolarHBondContact O-N 3.35Å; R373-L377 HydrophobicContact CG-CD1 4.24Å; R373-L377 WeakPolarHBondContact O-CG 3.48Å; R373-L377 PolarHBondContact O-N 3.34Å; R373-W392 HydrophobicContact CB-CB 4.45Å; R373-W392 HydrophobicContact CB-CD2 3.67Å; R373-W392 HydrophobicContact CB-CE3 4.13Å; R373-W392 HydrophobicContact CB-CG 3.79Å; R373-W392 HydrophobicContact CG-CD2 3.88Å; R373-W392 HydrophobicContact CG-CE3 4.1Å; R373-W392 HydrophobicContact CG-CG 4.49Å; R373-W392 HydrophobicContact CG-CH2 4.09Å; R373-W392 HydrophobicContact CG-CZ2 3.87Å; R373-W392 HydrophobicContact CG-CZ3 4.2Å
374C86.1Confident83.3Confident55 Ų5556 Ų5637%0.37231%0.307SS..Hα-helixtrans-63-45.7177.6-72.10000112.4R345 L370 L371 Y376 L377 R378R345-C374 HydrophobicContact CG-CB 4.44Å; L370-C374 PolarHBondContact O-N 3.16Å; L370-C374 PolarHBondContact O-SG 2.99Å; L371-C374 PolarHBondContact O-N 3.17Å; L371-C374 VanDerWaalsContact O-N 3.17Å; C374-Y376 VanDerWaalsContact C-N 3.32Å; C374-Y376 PolarHBondContact O-N 2.95Å; C374-L377 PolarHBondContact O-N 2.77Å; C374-R378 WeakPolarHBondContact O-CB 3.32Å; C374-R378 PolarHBondContact O-N 3.37Å
375L87.2Confident81.8Confident0 Ų058.3 Ų58.30%033%0.326CS..Hα-helixtrans-61.9-40.7177.7-68.5173000111.6V349 L371 W372 R378 D379 Y396V349-L375 HydrophobicContact CG2-CD1 4.31Å; L371-L375 HydrophobicContact CD1-CD1 4.24Å; L371-L375 HydrophobicContact CD1-CG 4.33Å; L371-L375 HydrophobicContact CG-CD1 3.98Å; L371-L375 HydrophobicContact CG-CG 4.44Å; L371-L375 WeakPolarHBondContact O-CG 3.43Å; L371-L375 PolarHBondContact O-N 2.94Å; W372-L375 HydrophobicContact CE3-CD1 4.15Å; W372-L375 HydrophobicContact CZ3-CD1 4.3Å; L375-R378 PolarHBondContact O-N 3.17Å; L375-D379 WeakPolarHBondContact O-CB 3.07Å; L375-D379 PolarHBondContact O-N 2.84Å; L375-Y396 HydrophobicContact CB-CD2 4.45Å; L375-Y396 HydrophobicContact CB-CE2 4.26Å
376Y86.4Confident81Confident5 Ų562.4 Ų62.42%0.0234%0.341CS..Hα-helixtrans-62.8-47.3177.5-175.8-95.9000112.6W372 R373 C374 R378 D379 F380 D382 R386 W392 L395 Y396 R399W372-Y376 WeakPolarHBondContact O-CB 3.26Å; W372-Y376 PolarHBondContact O-N 3.01Å; R373-Y376 PolarHBondContact O-N 3.35Å; C374-Y376 VanDerWaalsContact C-N 3.32Å; C374-Y376 PolarHBondContact O-N 2.95Å; Y376-R378 VanDerWaalsContact C-N 3.35Å; Y376-D379 PolarHBondContact O-N 3.45Å; Y376-F380 AromaticContact CD2-CD2 3.61Å; Y376-F380 HydrophobicContact CD2-CD2 3.61Å; Y376-F380 HydrophobicContact CD2-CE2 4.09Å; Y376-F380 AromaticContact CE2-CD2 3.87Å; Y376-F380 HydrophobicContact CE2-CD2 3.87Å; Y376-F380 HydrophobicContact CE2-CE2 4.4Å; Y376-F380 HydrophobicContact CE2-CG 4.49Å; Y376-F380 HydrophobicContact CG-CD2 4.23Å; Y376-F380 WeakPolarHBondContact O-CB 3.28Å; Y376-F380 PolarHBondContact O-N 2.84Å; Y376-D382 HydrophobicContact CE1-CB 3.68Å; Y376-D382 PolarHBondContact OH-OD2 2.89Å; Y376-R386 PolarHBondContact OH-NH2 3.41Å; Y376-W392 HydrophobicContact CD1-CE3 4.29Å; Y376-W392 HydrophobicContact CD1-CZ3 4.01Å; Y376-W392 HydrophobicContact CE1-CZ3 4.41Å; Y376-W392 HydrophobicContact CG-CE3 4.45Å; Y376-L395 HydrophobicContact CE2-CB 4.46Å; Y376-Y396 HydrophobicContact CD2-CD2 4.16Å; Y376-R399 HydrophobicContact CE2-CB 3.97Å; Y376-R399 HydrophobicContact CE2-CG 4.08Å; Y376-R399 PolarHBondContact OH-NH1 3.3Å
377L85.1Confident80Confident75 Ų7564.3 Ų64.339%0.39336%0.361SS..Hα-helixtrans-64.7-40.4178.2-68.9173000111.6R373 C374 Q381 D382R373-L377 HydrophobicContact CG-CD1 4.24Å; R373-L377 WeakPolarHBondContact O-CG 3.48Å; R373-L377 PolarHBondContact O-N 3.34Å; C374-L377 PolarHBondContact O-N 2.77Å; L377-Q381 VanDerWaalsContact O-CA 3.27Å; L377-Q381 WeakPolarHBondContact O-CA 3.41Å; L377-Q381 PolarHBondContact O-N 3.45Å; L377-D382 WeakPolarHBondContact CD2-O 3.17Å
378R84.6Confident78.9Confident101 Ų10167.2 Ų67.238%0.38138%0.383SS..Hα-helixtrans-62.2-46.9176.4-173.3-169.770.3-176.23.5112.1R345 L347 C374 L375 Y376R345-R378 PolarHBondContact O-NH1 3.24Å; L347-R378 PolarHBondContact O-NH1 3.07Å; L347-R378 PolarHBondContact O-NH2 2.92Å; C374-R378 WeakPolarHBondContact O-CB 3.32Å; C374-R378 PolarHBondContact O-N 3.37Å; L375-R378 PolarHBondContact O-N 3.17Å; Y376-R378 VanDerWaalsContact C-N 3.35Å
379D85.1Confident77.9Confident45 Ų4573.2 Ų73.224%0.24142%0.415CS..Hα-helixtrans-87.8-26.1-168.7-64.3-6.9000113.8L375 Y376 Y396 R403L375-D379 WeakPolarHBondContact O-CB 3.07Å; L375-D379 PolarHBondContact O-N 2.84Å; Y376-D379 PolarHBondContact O-N 3.45Å; D379-Y396 HydrophobicContact CB-CE2 4.15Å; D379-Y396 VanDerWaalsContact OD2-CE2 3.32Å; D379-Y396 WeakPolarHBondContact OD2-CE2 3.35Å; D379-Y396 PolarHBondContact OD2-OH 2.93Å; D379-R403 PolarHBondContact O-NH1 3Å
380F81.9Confident77.5Confident27 Ų2771.1 Ų71.112%0.11840%0.401CS..Hα-helixtrans-121-11-175-58.4-73.3000114.9Y376 D382 Y396 R399 H400 R403Y376-F380 AromaticContact CD2-CD2 3.61Å; Y376-F380 HydrophobicContact CD2-CD2 3.61Å; Y376-F380 HydrophobicContact CD2-CE2 4.09Å; Y376-F380 AromaticContact CE2-CD2 3.87Å; Y376-F380 HydrophobicContact CE2-CD2 3.87Å; Y376-F380 HydrophobicContact CE2-CE2 4.4Å; Y376-F380 HydrophobicContact CE2-CG 4.49Å; Y376-F380 HydrophobicContact CG-CD2 4.23Å; Y376-F380 WeakPolarHBondContact O-CB 3.28Å; Y376-F380 PolarHBondContact O-N 2.84Å; F380-D382 PolarHBondContact O-N 3.38Å; F380-D382 VanDerWaalsContact O-N 3.16Å; F380-Y396 HydrophobicContact CD2-CD2 4.35Å; F380-Y396 HydrophobicContact CD2-CE2 4.2Å; F380-Y396 AromaticContact CE2-CD2 3.74Å; F380-Y396 HydrophobicContact CE2-CD2 3.74Å; F380-Y396 HydrophobicContact CE2-CE1 4.42Å; F380-Y396 AromaticContact CE2-CE2 3.51Å; F380-Y396 HydrophobicContact CE2-CE2 3.51Å; F380-Y396 HydrophobicContact CE2-CG 4.29Å; F380-Y396 AromaticContact CE2-CZ 3.84Å; F380-Y396 HydrophobicContact CZ-CE2 4.42Å; F380-R399 HydrophobicContact CB-CG 4.44Å; F380-R399 HydrophobicContact CD1-CG 3.38Å; F380-R399 HydrophobicContact CD2-CB 4.41Å; F380-R399 HydrophobicContact CD2-CG 3.85Å; F380-R399 HydrophobicContact CE1-CB 4.16Å; F380-R399 HydrophobicContact CE1-CG 3.37Å; F380-R399 HydrophobicContact CE2-CB 4.04Å; F380-R399 HydrophobicContact CE2-CG 3.83Å; F380-R399 HydrophobicContact CG-CG 3.63Å; F380-R399 HydrophobicContact CZ-CB 3.91Å; F380-R399 HydrophobicContact CZ-CG 3.61Å; F380-H400 HydrophobicContact CZ-CB 4.25Å; F380-R403 HydrophobicContact CE1-CB 4.49Å
381Q75.3Confident77.5Confident171 Ų17171.2 Ų71.280%0.79940%0.402SS*.  trans47.742.9177.2-61.8178.111.200113.5L377L377-Q381 VanDerWaalsContact O-CA 3.27Å; L377-Q381 WeakPolarHBondContact O-CA 3.41Å; L377-Q381 PolarHBondContact O-N 3.45Å
382D72.3Confident77.3Confident40 Ų4072.3 Ų72.321%0.21441%0.406CS..  trans-91.8109.9-176.4-129.539.7000110.4Y376 L377 F380 A384 R386 R399Y376-D382 HydrophobicContact CE1-CB 3.68Å; Y376-D382 PolarHBondContact OH-OD2 2.89Å; L377-D382 WeakPolarHBondContact CD2-O 3.17Å; F380-D382 PolarHBondContact O-N 3.38Å; F380-D382 VanDerWaalsContact O-N 3.16Å; D382-A384 PolarHBondContact O-N 3.02Å; D382-R386 IonicContact OD2-NH2 3.21Å; D382-R386 PolarHBondContact OD2-NH2 2.95Å; D382-R399 VanDerWaalsContact CG-NH2 3.3Å; D382-R399 IonicContact OD1-CZ 2.83Å; D382-R399 IonicContact OD1-NH1 3.01Å; D382-R399 PolarHBondContact OD1-NH1 2.96Å; D382-R399 IonicContact OD1-NH2 2.79Å; D382-R399 PolarHBondContact OD1-NH2 3.4Å; D382-R399 IonicContact OD2-CZ 3.44Å; D382-R399 IonicContact OD2-NH1 3.24Å; D382-R399 PolarHBondContact OD2-NH1 2.57Å; D382-R399 IonicContact OD2-NH2 2.73Å; D382-R399 PolarHBondContact OD2-NH2 2.88Å
383G60.8Low77.1Confident78 Ų7875 Ų7580%0.80442%0.418SS*.  trans-80.312.717900000115.1V385G383-V385 PolarHBondContact O-N 2.91Å
384A62.5Low77.1Confident54 Ų5474.1 Ų74.145%0.44642%0.419SS..  trans-70.7118.1-178.300000110.3D382 R386D382-A384 PolarHBondContact O-N 3.02Å; A384-R386 PolarHBondContact O-N 3.45Å
385V57.3Low77.1Confident150 Ų15073.1 Ų73.191%0.90941%0.41SS*.  trans-63.6115.1171.3-178.50000107.8G383G383-V385 PolarHBondContact O-N 2.91Å
386R71.6Confident77.1Confident89 Ų8973.8 Ų73.834%0.33641%0.412SS..  trans-113.5151178.8-65.1-178.3-169-122.4-1109.8Y376 D382 A384 T390 W392Y376-R386 PolarHBondContact OH-NH2 3.41Å; D382-R386 IonicContact OD2-NH2 3.21Å; D382-R386 PolarHBondContact OD2-NH2 2.95Å; A384-R386 PolarHBondContact O-N 3.45Å; R386-T390 HydrophobicContact CB-CG2 4.47Å; R386-W392 HydrophobicContact CB-CH2 4.18Å
387G66.8Low77.2Confident43 Ų4381.1 Ų81.144%0.44344%0.44SS..  trans-64.2160.8-178.800000113.2D389 T390G387-D389 VanDerWaalsContact C-N 3.27Å; G387-D389 PolarHBondContact O-N 2.91Å; G387-T390 WeakPolarHBondContact O-CB 3.19Å; G387-T390 PolarHBondContact O-N 2.85Å; G387-T390 PolarHBondContact O-OG1 3.07Å
388P64.1Low77.4Confident128 Ų12883.1 Ų83.183%0.83145%0.446SS*.THydrogen-bonded Turntrans-62-29.5-176.921.9-30.8000113.9T390P388-T390 PolarHBondContact O-N 3.44Å
389D69.4Low77.5Confident157 Ų15781.5 Ų81.584%0.8444%0.439SS*.THydrogen-bonded Turntrans-87.927.9-177.7-58.5-33.2000113.8G387 D391G387-D389 VanDerWaalsContact C-N 3.27Å; G387-D389 PolarHBondContact O-N 2.91Å; D389-D391 PolarHBondContact O-N 3.04Å
390T79.3Confident77.6Confident32 Ų3282.3 Ų82.320%0.19644%0.442CS..  trans-86.8118.1-176.8-57.80000110.5R386 G387 P388 W392 L395R386-T390 HydrophobicContact CB-CG2 4.47Å; G387-T390 WeakPolarHBondContact O-CB 3.19Å; G387-T390 PolarHBondContact O-N 2.85Å; G387-T390 PolarHBondContact O-OG1 3.07Å; P388-T390 PolarHBondContact O-N 3.44Å; T390-W392 VanDerWaalsContact C-N 3.3Å; T390-W392 PolarHBondContact O-N 2.68Å; T390-W392 PolarHBondContact O-NE1 3.39Å; T390-L395 HydrophobicContact CG2-CD1 3.06Å; T390-L395 HydrophobicContact CG2-CG 3.86Å
391D85.7Confident78Confident110 Ų11084.8 Ų84.859%0.58846%0.455SS*.  trans-68.486.4170-73.9-38.9000111.2D389 K393 E394 L395D389-D391 PolarHBondContact O-N 3.04Å; D391-K393 PolarHBondContact O-N 3.42Å; D391-K393 VanDerWaalsContact O-N 3.16Å; D391-E394 HydrophobicContact CB-CB 4.09Å; D391-E394 HydrophobicContact CB-CG 4.04Å; D391-E394 PolarHBondContact O-N 3.42Å; D391-E394 VanDerWaalsContact O-N 3.07Å; D391-L395 PolarHBondContact O-N 2.84Å
392W84.4Confident78.6Confident30 Ų3082.2 Ų82.211%0.11444%0.443CS..Hα-helixtrans-55.2-34.8-178.5-67.5100.8000112.7W372 R373 Y376 R386 T390 Y396W372-W392 HydrophobicContact CB-CB 3.68Å; R373-W392 HydrophobicContact CB-CB 4.45Å; R373-W392 HydrophobicContact CB-CD2 3.67Å; R373-W392 HydrophobicContact CB-CE3 4.13Å; R373-W392 HydrophobicContact CB-CG 3.79Å; R373-W392 HydrophobicContact CG-CD2 3.88Å; R373-W392 HydrophobicContact CG-CE3 4.1Å; R373-W392 HydrophobicContact CG-CG 4.49Å; R373-W392 HydrophobicContact CG-CH2 4.09Å; R373-W392 HydrophobicContact CG-CZ2 3.87Å; R373-W392 HydrophobicContact CG-CZ3 4.2Å; Y376-W392 HydrophobicContact CD1-CE3 4.29Å; Y376-W392 HydrophobicContact CD1-CZ3 4.01Å; Y376-W392 HydrophobicContact CE1-CZ3 4.41Å; Y376-W392 HydrophobicContact CG-CE3 4.45Å; R386-W392 HydrophobicContact CB-CH2 4.18Å; T390-W392 VanDerWaalsContact C-N 3.3Å; T390-W392 PolarHBondContact O-N 2.68Å; T390-W392 PolarHBondContact O-NE1 3.39Å; W392-Y396 VanDerWaalsContact O-CB 3.28Å; W392-Y396 WeakPolarHBondContact O-CB 3.4Å; W392-Y396 PolarHBondContact O-N 2.95Å
393K85.3Confident79.4Confident64 Ų6487.5 Ų87.528%0.27846%0.46SS..Hα-helixtrans-65.6-43.3177.4-171.9174.7-173.3-177.50112.5N367 W372 D391 R397N367-K393 PolarHBondContact OD1-NZ 3.3Å; W372-K393 HydrophobicContact CB-CB 4.33Å; W372-K393 HydrophobicContact CD2-CB 3.91Å; W372-K393 HydrophobicContact CD2-CD 4.42Å; W372-K393 HydrophobicContact CD2-CG 3.78Å; W372-K393 HydrophobicContact CE3-CG 4.31Å; W372-K393 HydrophobicContact CG-CB 3.73Å; W372-K393 HydrophobicContact CG-CG 4.12Å; W372-K393 HydrophobicContact CZ2-CD 4.07Å; W372-K393 HydrophobicContact CZ2-CG 4.02Å; D391-K393 PolarHBondContact O-N 3.42Å; D391-K393 VanDerWaalsContact O-N 3.16Å; K393-R397 PolarHBondContact O-N 3.41Å
394E86.9Confident80.7Confident103 Ų10389 Ų8948%0.48145%0.445SS..Hα-helixtrans-70.8-39.4177.6-67.4-157.8162.600112.1D391 Y396 R397 K398D391-E394 HydrophobicContact CB-CB 4.09Å; D391-E394 HydrophobicContact CB-CG 4.04Å; D391-E394 PolarHBondContact O-N 3.42Å; D391-E394 VanDerWaalsContact O-N 3.07Å; E394-Y396 VanDerWaalsContact C-N 3.34Å; E394-R397 WeakPolarHBondContact O-CB 3.46Å; E394-R397 PolarHBondContact O-N 3.4Å; E394-K398 WeakPolarHBondContact O-CG 3.44Å; E394-K398 PolarHBondContact O-N 3.02Å
395L86.7Confident82Confident33 Ų3391.2 Ų91.217%0.17345%0.446CS..Hα-helixtrans-61.1-45.1173.8-74.5-170.4000112Y376 T390 D391 R397 K398 R399Y376-L395 HydrophobicContact CE2-CB 4.46Å; T390-L395 HydrophobicContact CG2-CD1 3.06Å; T390-L395 HydrophobicContact CG2-CG 3.86Å; D391-L395 PolarHBondContact O-N 2.84Å; L395-R397 VanDerWaalsContact C-N 3.29Å; L395-R397 PolarHBondContact O-N 2.98Å; L395-K398 PolarHBondContact O-N 3.48Å; L395-R399 WeakPolarHBondContact O-CB 3.45Å; L395-R399 PolarHBondContact O-N 3.33Å
396Y87.9Confident83.4Confident14 Ų1486.4 Ų86.46%0.05542%0.422CS..Hα-helixtrans-56.9-47.8174.6-171.5-76000110V349 W372 L375 Y376 D379 F380 W392 E394 K398 R399 H400V349-Y396 HydrophobicContact CB-CE1 4.22Å; V349-Y396 HydrophobicContact CG1-CD1 4.49Å; V349-Y396 HydrophobicContact CG1-CE1 3.8Å; V349-Y396 HydrophobicContact CG2-CE1 3.81Å; V349-Y396 HydrophobicContact CG2-CE2 4.03Å; V349-Y396 WeakPolarHBondContact CG2-OH 3.37Å; W372-Y396 HydrophobicContact CE3-CD1 4.31Å; W372-Y396 HydrophobicContact CE3-CD2 4.43Å; W372-Y396 AromaticContact CE3-CG 4Å; W372-Y396 HydrophobicContact CE3-CG 4Å; W372-Y396 AromaticContact CZ3-CD1 3.98Å; W372-Y396 HydrophobicContact CZ3-CD1 3.98Å; W372-Y396 HydrophobicContact CZ3-CG 4.14Å; L375-Y396 HydrophobicContact CB-CD2 4.45Å; L375-Y396 HydrophobicContact CB-CE2 4.26Å; Y376-Y396 HydrophobicContact CD2-CD2 4.16Å; D379-Y396 HydrophobicContact CB-CE2 4.15Å; D379-Y396 VanDerWaalsContact OD2-CE2 3.32Å; D379-Y396 WeakPolarHBondContact OD2-CE2 3.35Å; D379-Y396 PolarHBondContact OD2-OH 2.93Å; F380-Y396 HydrophobicContact CD2-CD2 4.35Å; F380-Y396 HydrophobicContact CD2-CE2 4.2Å; F380-Y396 AromaticContact CE2-CD2 3.74Å; F380-Y396 HydrophobicContact CE2-CD2 3.74Å; F380-Y396 HydrophobicContact CE2-CE1 4.42Å; F380-Y396 AromaticContact CE2-CE2 3.51Å; F380-Y396 HydrophobicContact CE2-CE2 3.51Å; F380-Y396 HydrophobicContact CE2-CG 4.29Å; F380-Y396 AromaticContact CE2-CZ 3.84Å; F380-Y396 HydrophobicContact CZ-CE2 4.42Å; W392-Y396 VanDerWaalsContact O-CB 3.28Å; W392-Y396 WeakPolarHBondContact O-CB 3.4Å; W392-Y396 PolarHBondContact O-N 2.95Å; E394-Y396 VanDerWaalsContact C-N 3.34Å; Y396-K398 PolarHBondContact O-N 2.93Å; Y396-R399 PolarHBondContact O-N 3.46Å; Y396-H400 HydrophobicContact CD1-CB 4.29Å; Y396-H400 HydrophobicContact CE1-CB 4.02Å; Y396-H400 WeakPolarHBondContact O-CB 3.47Å; Y396-H400 PolarHBondContact O-N 3.35Å
397R88.9Confident84.2Confident159 Ų15987.4 Ų87.460%0.643%0.43SS*.Hα-helixtrans-56-50.8176.5-177.6-172.5-66.9-157.7-0.5112K393 E394 L395 H400 I401K393-R397 PolarHBondContact O-N 3.41Å; E394-R397 WeakPolarHBondContact O-CB 3.46Å; E394-R397 PolarHBondContact O-N 3.4Å; L395-R397 VanDerWaalsContact C-N 3.29Å; L395-R397 PolarHBondContact O-N 2.98Å; R397-H400 PolarHBondContact O-N 3.12Å; R397-I401 HydrophobicContact CG-CD1 3.87Å; R397-I401 VanDerWaalsContact O-CG1 3.26Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 2.81Å
398K89.1Confident85.1Confident118 Ų11892.6 Ų92.651%0.51344%0.436SS..Hα-helixtrans-60.3-48.3-179.4-72.6172.9-176.5167.90111.3E394 L395 Y396 H400 I401 Q402E394-K398 WeakPolarHBondContact O-CG 3.44Å; E394-K398 PolarHBondContact O-N 3.02Å; L395-K398 PolarHBondContact O-N 3.48Å; Y396-K398 PolarHBondContact O-N 2.93Å; K398-H400 PolarHBondContact O-N 3.21Å; K398-I401 PolarHBondContact O-N 2.98Å; K398-Q402 WeakPolarHBondContact O-CG 3.48Å; K398-Q402 PolarHBondContact O-N 2.96Å
399R86.9Confident86Confident66 Ų6692 Ų9225%0.24942%0.424CS..Hα-helixtrans-63.2-41.3178.9-167.382.6177.4-104.522.7111.9Y376 F380 D382 L395 Y396 Q402 R403Y376-R399 HydrophobicContact CE2-CB 3.97Å; Y376-R399 HydrophobicContact CE2-CG 4.08Å; Y376-R399 PolarHBondContact OH-NH1 3.3Å; F380-R399 HydrophobicContact CB-CG 4.44Å; F380-R399 HydrophobicContact CD1-CG 3.38Å; F380-R399 HydrophobicContact CD2-CB 4.41Å; F380-R399 HydrophobicContact CD2-CG 3.85Å; F380-R399 HydrophobicContact CE1-CB 4.16Å; F380-R399 HydrophobicContact CE1-CG 3.37Å; F380-R399 HydrophobicContact CE2-CB 4.04Å; F380-R399 HydrophobicContact CE2-CG 3.83Å; F380-R399 HydrophobicContact CG-CG 3.63Å; F380-R399 HydrophobicContact CZ-CB 3.91Å; F380-R399 HydrophobicContact CZ-CG 3.61Å; D382-R399 VanDerWaalsContact CG-NH2 3.3Å; D382-R399 IonicContact OD1-CZ 2.83Å; D382-R399 IonicContact OD1-NH1 3.01Å; D382-R399 PolarHBondContact OD1-NH1 2.96Å; D382-R399 IonicContact OD1-NH2 2.79Å; D382-R399 PolarHBondContact OD1-NH2 3.4Å; D382-R399 IonicContact OD2-CZ 3.44Å; D382-R399 IonicContact OD2-NH1 3.24Å; D382-R399 PolarHBondContact OD2-NH1 2.57Å; D382-R399 IonicContact OD2-NH2 2.73Å; D382-R399 PolarHBondContact OD2-NH2 2.88Å; L395-R399 WeakPolarHBondContact O-CB 3.45Å; L395-R399 PolarHBondContact O-N 3.33Å; Y396-R399 PolarHBondContact O-N 3.46Å; R399-Q402 PolarHBondContact O-N 3Å; R399-R403 WeakPolarHBondContact O-CB 3.34Å; R399-R403 PolarHBondContact O-N 3.18Å
400H87.3Confident86.4Confident62 Ų6292.5 Ų92.529%0.28741%0.414SS..Hα-helixtrans-65.3-42.2177.9-175-88.4000111.9F380 Y396 R397 K398 R403 K404F380-H400 HydrophobicContact CZ-CB 4.25Å; Y396-H400 HydrophobicContact CD1-CB 4.29Å; Y396-H400 HydrophobicContact CE1-CB 4.02Å; Y396-H400 WeakPolarHBondContact O-CB 3.47Å; Y396-H400 PolarHBondContact O-N 3.35Å; R397-H400 PolarHBondContact O-N 3.12Å; K398-H400 PolarHBondContact O-N 3.21Å; H400-R403 PolarHBondContact O-N 3.39Å; H400-K404 WeakPolarHBondContact O-CB 3.32Å; H400-K404 PolarHBondContact O-N 2.77Å
401I89.7Confident86.2Confident79 Ų7996.4 Ų96.441%0.40543%0.43SS..Hα-helixtrans-61.5-49174-68.7166.2000110.3R397 K398 R403 K404 E405R397-I401 HydrophobicContact CG-CD1 3.87Å; R397-I401 VanDerWaalsContact O-CG1 3.26Å; R397-I401 WeakPolarHBondContact O-CG1 3.32Å; R397-I401 PolarHBondContact O-N 2.81Å; K398-I401 PolarHBondContact O-N 2.98Å; I401-R403 VanDerWaalsContact C-N 3.32Å; I401-R403 PolarHBondContact O-N 3.15Å; I401-K404 PolarHBondContact O-N 3.45Å; I401-K404 VanDerWaalsContact O-N 3.12Å; I401-E405 HydrophobicContact CG2-CG 4.29Å; I401-E405 WeakPolarHBondContact CG2-OE1 3.27Å; I401-E405 WeakPolarHBondContact O-CG 3.46Å; I401-E405 PolarHBondContact O-N 2.77Å
402Q88.6Confident85.6Confident117 Ų11793.8 Ų93.855%0.54742%0.423SS..Hα-helixtrans-57.7-42.7177.7-73.61731.300112.3K398 R399 E405 A406K398-Q402 WeakPolarHBondContact O-CG 3.48Å; K398-Q402 PolarHBondContact O-N 2.96Å; R399-Q402 PolarHBondContact O-N 3Å; Q402-E405 PolarHBondContact O-N 3.29Å; Q402-A406 VanDerWaalsContact O-CB 3.28Å; Q402-A406 WeakPolarHBondContact O-CB 3.34Å; Q402-A406 PolarHBondContact O-N 3.01Å
403R88.3Confident84.6Confident151 Ų15199.1 Ų99.157%0.5745%0.451SS*.Hα-helixtrans-62.7-43.5176.2-175.1174.2-179.7154.70.7111.7D379 F380 R399 H400 I401 A406 Q407D379-R403 PolarHBondContact O-NH1 3Å; F380-R403 HydrophobicContact CE1-CB 4.49Å; R399-R403 WeakPolarHBondContact O-CB 3.34Å; R399-R403 PolarHBondContact O-N 3.18Å; H400-R403 PolarHBondContact O-N 3.39Å; I401-R403 VanDerWaalsContact C-N 3.32Å; I401-R403 PolarHBondContact O-N 3.15Å; R403-A406 PolarHBondContact O-N 2.89Å; R403-Q407 WeakPolarHBondContact O-CB 3.3Å; R403-Q407 PolarHBondContact O-N 3.3Å
404K88.3Confident83.6Confident110 Ų110104.1 Ų104.148%0.47847%0.473SS..Hα-helixtrans-66.3-40.1178.1-171.1174.2-176.4172.90112H400 I401 Q407 R408H400-K404 WeakPolarHBondContact O-CB 3.32Å; H400-K404 PolarHBondContact O-N 2.77Å; I401-K404 PolarHBondContact O-N 3.45Å; I401-K404 VanDerWaalsContact O-N 3.12Å; K404-Q407 PolarHBondContact O-N 3.42Å; K404-R408 WeakPolarHBondContact O-CG 3.45Å; K404-R408 PolarHBondContact O-N 3.45Å
405E90.1Very high82Confident101 Ų101105.5 Ų105.547%0.47248%0.483SS..Hα-helixtrans-67.3-44174.8-74.4175.7176.700111.9I401 Q402 Q407 R408 M409I401-E405 HydrophobicContact CG2-CG 4.29Å; I401-E405 WeakPolarHBondContact CG2-OE1 3.27Å; I401-E405 WeakPolarHBondContact O-CG 3.46Å; I401-E405 PolarHBondContact O-N 2.77Å; Q402-E405 PolarHBondContact O-N 3.29Å; E405-Q407 VanDerWaalsContact C-N 3.27Å; E405-Q407 PolarHBondContact O-N 3.33Å; E405-R408 CarbonylContact O-C 3.58Å; E405-R408 WeakPolarHBondContact O-CB 3.32Å; E405-R408 PolarHBondContact O-N 3.36Å; E405-R408 VanDerWaalsContact O-N 3.13Å; E405-M409 WeakPolarHBondContact O-CB 3.49Å; E405-M409 WeakPolarHBondContact O-CG 3.3Å; E405-M409 PolarHBondContact O-N 3.36Å
406A87.2Confident80.5Confident48 Ų48110.1 Ų110.140%0.39751%0.513SS..Hα-helixtrans-59.8-39.6174.600000111.6Q402 R403 M409 R410Q402-A406 VanDerWaalsContact O-CB 3.28Å; Q402-A406 WeakPolarHBondContact O-CB 3.34Å; Q402-A406 PolarHBondContact O-N 3.01Å; R403-A406 PolarHBondContact O-N 2.89Å; A406-M409 PolarHBondContact O-N 2.98Å; A406-R410 WeakPolarHBondContact O-CB 3.35Å; A406-R410 VanDerWaalsContact O-CG 3.3Å; A406-R410 WeakPolarHBondContact O-CG 3.41Å; A406-R410 PolarHBondContact O-N 2.67Å
407Q86.7Confident79Confident111 Ų111113.4 Ų113.452%0.51954%0.538SS..Hα-helixtrans-65.9-43.7173.9-169.5171.51.700111.5R403 K404 E405 M409 R410 H411R403-Q407 WeakPolarHBondContact O-CB 3.3Å; R403-Q407 PolarHBondContact O-N 3.3Å; K404-Q407 PolarHBondContact O-N 3.42Å; E405-Q407 VanDerWaalsContact C-N 3.27Å; E405-Q407 PolarHBondContact O-N 3.33Å; Q407-M409 VanDerWaalsContact C-N 3.35Å; Q407-M409 PolarHBondContact O-N 3.44Å; Q407-R410 PolarHBondContact O-N 2.84Å; Q407-H411 PolarHBondContact O-CD2 3.24Å; Q407-H411 PolarHBondContact O-N 2.73Å
408R86.3Confident77.4Confident151 Ų151110.4 Ų110.457%0.5754%0.539SS*.Hα-helixtrans-59.8-43.3173.1-74173.4-179.8168.6-4.5112.4K404 E405 H411 A412K404-R408 WeakPolarHBondContact O-CG 3.45Å; K404-R408 PolarHBondContact O-N 3.45Å; E405-R408 CarbonylContact O-C 3.58Å; E405-R408 WeakPolarHBondContact O-CB 3.32Å; E405-R408 PolarHBondContact O-N 3.36Å; E405-R408 VanDerWaalsContact O-N 3.13Å; R408-H411 CarbonylContact O-C 3.56Å; R408-H411 PolarHBondContact O-N 3.47Å; R408-A412 VanDerWaalsContact O-CB 3.3Å; R408-A412 WeakPolarHBondContact O-CB 3.46Å; R408-A412 PolarHBondContact O-N 3.13Å
409M82.2Confident75.4Confident115 Ų115110.9 Ų110.957%0.56755%0.554SS**Hα-helixtrans-65.1-39.2178-72.7-63.4-72.300111.6E405 A406 Q407 A412 M413E405-M409 WeakPolarHBondContact O-CB 3.49Å; E405-M409 WeakPolarHBondContact O-CG 3.3Å; E405-M409 PolarHBondContact O-N 3.36Å; A406-M409 PolarHBondContact O-N 2.98Å; Q407-M409 VanDerWaalsContact C-N 3.35Å; Q407-M409 PolarHBondContact O-N 3.44Å; M409-A412 PolarHBondContact O-N 3.16Å; M409-M413 HydrophobicContact CB-CE 4.33Å; M409-M413 WeakPolarHBondContact O-CG 3.28Å; M409-M413 PolarHBondContact O-N 3.26Å
410R79.3Confident73.6Confident169 Ų169114.8 Ų114.864%0.63858%0.575SS**Hα-helixtrans-61.7-50.1171.3-75.5176.7-177.9-177.20.7111A406 Q407 A412 M413 F414A406-R410 WeakPolarHBondContact O-CB 3.35Å; A406-R410 VanDerWaalsContact O-CG 3.3Å; A406-R410 WeakPolarHBondContact O-CG 3.41Å; A406-R410 PolarHBondContact O-N 2.67Å; Q407-R410 PolarHBondContact O-N 2.84Å; R410-A412 VanDerWaalsContact C-N 3.26Å; R410-A412 PolarHBondContact O-N 3.27Å; R410-M413 PolarHBondContact O-N 2.98Å; R410-M413 VanDerWaalsContact O-N 3.1Å; R410-F414 HydrophobicContact CB-CD2 4.42Å; R410-F414 HydrophobicContact CB-CE2 4.2Å; R410-F414 WeakPolarHBondContact O-CD2 3.36Å; R410-F414 PolarHBondContact O-N 2.85Å
411H73.8Confident71.4Confident113 Ų113117.2 Ų117.252%0.52360%0.599SS.*Hα-helixtrans-60.6-36.9177.1-75.9-126.7000111.7Q407 R408 F414 L415Q407-H411 PolarHBondContact O-CD2 3.24Å; Q407-H411 PolarHBondContact O-N 2.73Å; R408-H411 CarbonylContact O-C 3.56Å; R408-H411 PolarHBondContact O-N 3.47Å; H411-F414 PolarHBondContact O-N 3.16Å; H411-L415 WeakPolarHBondContact O-CG 2.93Å; H411-L415 PolarHBondContact O-N 2.95Å
412A73.6Confident69.5Low55 Ų55120.4 Ų120.446%0.45562%0.615SS.*Hα-helixtrans-69.3-32.117500000113.1R408 M409 R410R408-A412 VanDerWaalsContact O-CB 3.3Å; R408-A412 WeakPolarHBondContact O-CB 3.46Å; R408-A412 PolarHBondContact O-N 3.13Å; M409-A412 PolarHBondContact O-N 3.16Å; R410-A412 VanDerWaalsContact C-N 3.26Å; R410-A412 PolarHBondContact O-N 3.27Å
413M64.6Low67.4Low143 Ų143120.1 Ų120.170%0.70462%0.624SS**Hα-helixtrans-72.4-30.3171.1-74.6-178-131.100112.5M409 R410M409-M413 HydrophobicContact CB-CE 4.33Å; M409-M413 WeakPolarHBondContact O-CG 3.28Å; M409-M413 PolarHBondContact O-N 3.26Å; R410-M413 PolarHBondContact O-N 2.98Å; R410-M413 VanDerWaalsContact O-N 3.1Å
414F63.5Low65.3Low169 Ų169122.7 Ų122.774%0.74164%0.639SS**Hα-helixtrans-82.6-14.8175.4-69-62.4000113.6R410 H411 T416R410-F414 HydrophobicContact CB-CD2 4.42Å; R410-F414 HydrophobicContact CB-CE2 4.2Å; R410-F414 WeakPolarHBondContact O-CD2 3.36Å; R410-F414 PolarHBondContact O-N 2.85Å; H411-F414 PolarHBondContact O-N 3.16Å; F414-T416 PolarHBondContact O-N 3.28Å; F414-T416 VanDerWaalsContact O-N 3.16Å
415L52.4Low62.9Low131 Ų131128.8 Ų128.869%0.68666%0.66SS**SBendtrans-72.4104.1161.2-68.5174.8000106.9H411 S417H411-L415 WeakPolarHBondContact O-CG 2.93Å; H411-L415 PolarHBondContact O-N 2.95Å; L415-S417 PolarHBondContact O-N 2.94Å
416T55.2Low60.9Low131 Ų131129.2 Ų129.280%0.80467%0.671SS**  trans-45.5127.2167.532.50000109F414F414-T416 PolarHBondContact O-N 3.28Å; F414-T416 VanDerWaalsContact O-N 3.16Å
417S57Low58.6Low82 Ų82134.3 Ų134.357%0.57369%0.69SS**  trans-43.8129.4171.6-175.50000108.7L415L415-S417 PolarHBondContact O-N 2.94Å
418P56.1Low56.5Low96 Ų96133.6 Ų133.662%0.62370%0.695SS**  trans-55.2133.6176.822.2-30.7000107.8H420P418-H420 PolarHBondContact O-N 2.88Å; P418-H420 PolarHBondContact O-ND1 3.1Å
419P46.3Very low54.4Low128 Ų128132.9 Ų132.983%0.83171%0.707SS**  trans-55.8111.8-178.623.1-32.3000107.4S421P419-S421 PolarHBondContact O-N 2.89Å
420H48.5Very low52.1Low148 Ų148137.3 Ų137.369%0.68572%0.719SS**  trans-60.5109.2177.6-7311.6000106.7P418 I422P418-H420 PolarHBondContact O-N 2.88Å; P418-H420 PolarHBondContact O-ND1 3.1Å; H420-I422 VanDerWaalsContact C-N 3.32Å; H420-I422 PolarHBondContact O-N 3.2Å
421S42.6Very low50Low113 Ų113135.3 Ų135.379%0.7973%0.726SS**  trans-67.7100.6161.329.20000105.3P419 P423P419-S421 PolarHBondContact O-N 2.89Å; S421-P423 WeakPolarHBondContact O-CD 3.18Å
422I48.4Very low48.1Very low146 Ų146141.8 Ų141.875%0.74975%0.745SS**  trans-74.6114.4171.6-59.1166.3000106.7H420H420-I422 VanDerWaalsContact C-N 3.32Å; H420-I422 PolarHBondContact O-N 3.2Å
423P44.4Very low46.2Very low112 Ų112143.1 Ų143.173%0.72776%0.757SS**  trans-90.7124.1157.631.3-17.6000107.8S421 R425S421-P423 WeakPolarHBondContact O-CD 3.18Å; P423-R425 PolarHBondContact O-N 3.04Å
424F44.6Very low44.8Very low204 Ų204141.3 Ų141.390%0.89576%0.758SS**  trans-34.1119.1166.6-78.8-99.4000112.9
425R38.3Very low43.3Very low239 Ų239140.1 Ų140.190%0.90276%0.759SS**  trans-136.8136.1145.9-76.1-164.4-163.2-118.53.5108.8P423P423-R425 PolarHBondContact O-N 3.04Å
426P47.3Very low42.3Very low109 Ų109141.5 Ų141.571%0.70877%0.766SS**  trans-90.3152.9172.639.2-33.2000110.1
427I38.9Very low41.5Very low156 Ų156141 Ų14180%0.876%0.763SS**  trans89.8144.4158.2-44.6152.1000116
428P43.3Very low40.7Very low95 Ų95142.5 Ų142.562%0.61777%0.773SS**  cis-120.9162.2-33.131.8-15.4000112.2Y430P428-Y430 HydrophobicContact CG-CD2 4.49Å; P428-Y430 HydrophobicContact CG-CE2 4.27Å; P428-Y430 PolarHBondContact O-N 2.93Å
429V41.7Very low40.5Very low136 Ų136145.4 Ų145.482%0.82478%0.783SS**  trans-65.4111.3174.2-170.30000110.1
430Y35.4Very low40.4Very low209 Ų209145.3 Ų145.382%0.8277%0.774SS**  trans-109.4115.3152.6-80.8-78000108.7P428 R432P428-Y430 HydrophobicContact CG-CD2 4.49Å; P428-Y430 HydrophobicContact CG-CE2 4.27Å; P428-Y430 PolarHBondContact O-N 2.93Å; Y430-R432 PolarHBondContact O-N 3.23Å
431T34.9Very low40.1Very low127 Ų127143.1 Ų143.178%0.77977%0.773SS**  trans-52.1114.7173.147.80000111.2
432R33.1Very low40.2Very low248 Ų248144.5 Ų144.594%0.93678%0.779SS**  trans-107.291.5149.4-158.5175.5-154.5178.45.9107.9Y430Y430-R432 PolarHBondContact O-N 3.23Å
433A33.1Very low40.5Very low84 Ų84140.9 Ų140.969%0.69478%0.779SS**  trans-67.1152.8168.100000110.7
434S35.7Very low41Very low104 Ų104140.5 Ų140.573%0.72777%0.769SS**  trans82.5113.2164.1-131.70000114.1
435L32.1Very low41.6Very low145 Ų145139 Ų13976%0.75977%0.768SS**  -162.8144.758-88.1165.5000112.6
436L31.6Very low42Very low160 Ų160129.1 Ų129.184%0.83874%0.741SS**SBendtrans75.1107.3168.2-48169.4000113.8
437T37.3Very low42.6Very low121 Ų121126.6 Ų126.674%0.74274%0.735SS**  -162.6109.154.9-48.10000109
438S41.8Very low43Very low113 Ų113127.3 Ų127.379%0.7974%0.735SS**  trans-74117.6156.7164.90000106.4
439L51.8Low43.2Very low157 Ų157132.6 Ų132.682%0.82274%0.744SS**  trans163.766.9151.2-85.6161.9000108.6
440L44.1Very low43.8Very low126 Ų126131.1 Ų131.166%0.6673%0.732SS**  trans-110.8131.1159.1-9083000108.5I444L440-I444 HydrophobicContact CD2-CD1 4.06Å
441P41.7Very low44.6Very low102 Ų102126.6 Ų126.666%0.66273%0.725SS**  trans-67.9154.2173.828.7-32.5000110.8G443P441-G443 PolarHBondContact O-N 3.2Å
442P44.3Very low45.1Very low141 Ų141130.3 Ų130.392%0.91673%0.725SS**THydrogen-bonded Turntrans-69.2128.1-171.227.7-32.6000111.2
443G56Low45.5Very low71 Ų71124.2 Ų124.273%0.73272%0.718SS**THydrogen-bonded Turntrans149.3-6.5173.400000117P441P441-G443 PolarHBondContact O-N 3.2Å
444I54.2Low46Very low103 Ų103127.9 Ų127.953%0.52872%0.724SS.*  trans-103.4106.3179.2-62.4164.2000108.7L440 G446 D450L440-I444 HydrophobicContact CD2-CD1 4.06Å; I444-G446 WeakPolarHBondContact CG2-O 3.33Å; I444-D450 HydrophobicContact CG2-CB 4.4Å
445I56.4Low46.2Very low172 Ų172130.3 Ų130.388%0.88273%0.728SS**  trans-105.2-3.6179.6-64.6169.1000111.1
446G46.7Very low46.5Very low32 Ų32128.7 Ų128.733%0.3373%0.726SS.*SBendtrans-96.4140.1170.600000111.4I444 D450I444-G446 WeakPolarHBondContact CG2-O 3.33Å; G446-D450 WeakPolarHBondContact CA-OD2 3.35Å
447G60.9Low46.8Very low56 Ų56129 Ų12958%0.57773%0.729SS**  trans-65.1-160.7174.200000113.2Y449 D450G447-Y449 PolarHBondContact O-N 3.33Å; G447-D450 PolarHBondContact O-N 3.27Å
448E46.7Very low46.9Very low172 Ų172129.4 Ų129.480%0.80473%0.731SS**G310 helixtrans-48.8-8.1-17456.7-166.6152.100117.9
449Y47.9Very low46.6Very low205 Ų205127.2 Ų127.280%0.80473%0.726SS**G310 helixtrans-71.3-21.7170.7-70-83.9000114.6G447G447-Y449 PolarHBondContact O-N 3.33Å
450D53.3Low45.9Very low106 Ų106127.1 Ų127.157%0.56773%0.727SS**G310 helixtrans-93.3-1-178.7-71.8-17.8000113.7I444 G446 G447I444-D450 HydrophobicContact CG2-CB 4.4Å; G446-D450 WeakPolarHBondContact CA-OD2 3.35Å; G447-D450 PolarHBondContact O-N 3.27Å
451V52.6Low45.8Very low113 Ų113126.7 Ų126.769%0.68573%0.732SS**SBendtrans-89.1-12-176.4-173.30000112.2
452R46Very low45.7Very low205 Ų205127.3 Ų127.377%0.77473%0.733SS**  trans-147.999.6-179.1-55.4-178.793.9-169.55.8111.7I454R452-I454 PolarHBondContact O-N 2.7Å; R452-I454 VanDerWaalsContact O-N 3.09Å
453P41.4Very low45.3Very low120 Ų120127.3 Ų127.378%0.77973%0.725SS**  trans-64.8115.3165.726.4-29.6000108.3L455P453-L455 PolarHBondContact O-N 3.03Å; P453-L455 VanDerWaalsContact O-N 3.1Å
454I42.9Very low44.3Very low161 Ų161129.7 Ų129.783%0.82673%0.728SS**  trans-67.5104.6175.9-61.3166.9000107.4R452R452-I454 PolarHBondContact O-N 2.7Å; R452-I454 VanDerWaalsContact O-N 3.09Å
455L39.5Very low43.5Very low155 Ų155132.7 Ų132.781%0.81274%0.744SS**  trans-71.5127.7165.1-76.3162.7000108.4P453 N457P453-L455 PolarHBondContact O-N 3.03Å; P453-L455 VanDerWaalsContact O-N 3.1Å; L455-N457 PolarHBondContact O-N 3.09Å; L455-N457 VanDerWaalsContact O-N 3.1Å
456P40Very low42.8Very low112 Ų112130.6 Ų130.673%0.72774%0.739SS**  trans-69.1110.6174.127.1-30.1000108.9V458P456-V458 PolarHBondContact O-N 3.1Å; P456-V458 VanDerWaalsContact O-N 3.16Å
457N37.1Very low42.3Very low166 Ų166134.7 Ų134.789%0.88876%0.76SS**  trans-75.896.4171.6-161.617.4000108.2L455L455-N457 PolarHBondContact O-N 3.09Å; L455-N457 VanDerWaalsContact O-N 3.1Å
458V38.4Very low41.2Very low129 Ų129143.2 Ų143.278%0.78278%0.775SS**  trans-106.3120.5167.7176.90000106.6P456P456-V458 PolarHBondContact O-N 3.1Å; P456-V458 VanDerWaalsContact O-N 3.16Å
459G35.9Very low40.4Very low68 Ų68141.4 Ų141.470%0.70178%0.778SS**  trans-74.5137.5-17800000113.1
460D37.4Very low40.2Very low154 Ų154135.5 Ų135.582%0.82478%0.779SS**  trans-167145.7137.4-136-3.5000108.9V462D460-V462 PolarHBondContact O-N 3.1Å
461P42.7Very low39.3Very low118 Ų118139.6 Ų139.677%0.76680%0.795SS**SBendtrans-96.736.5-165.339.2-33.7000113.9
462V39.4Very low38.5Very low114 Ų114140.8 Ų140.869%0.69180%0.803SS**SBendtrans-146.998.6178.7-166.50000110.2D460D460-V462 PolarHBondContact O-N 3.1Å
463N36.6Very low38.1Very low141 Ų141136.6 Ų136.675%0.75480%0.802SS**  trans107.4114.2172-64.4-29000116.6L465N463-L465 PolarHBondContact O-N 3.16Å
464P33.7Very low37.9Very low122 Ų122137.2 Ų137.279%0.79281%0.806SS**  trans-86105.9166.432.4-26000110.1V466P464-V466 PolarHBondContact O-N 3.45Å
465L37.5Very low37.5Very low166 Ų166137.4 Ų137.487%0.86981%0.808SS**  trans-85.785.5167.5-72.6170.6000109.6N463N463-L465 PolarHBondContact O-N 3.16Å
466V42Very low37.4Very low128 Ų128141.1 Ų141.178%0.77681%0.811SS**  trans-94.7114.4163.1177.70000107.9P464P464-V466 PolarHBondContact O-N 3.45Å
467P35.8Very low37.9Very low117 Ų117140.7 Ų140.776%0.7681%0.808SS**PPolyproline II helixtrans-76.3136.8170.1-10.527.4000110.6
468R38.9Very low37.6Very low235 Ų235144.7 Ų144.789%0.88781%0.811SS**PPolyproline II helixtrans-71.2158.3173.1-91.7177.1168.3154.3-3.9111.6G470R468-G470 PolarHBondContact O-N 3.27Å
469P30.4Very low37.3Very low135 Ų135147.8 Ų147.888%0.87781%0.814SS**SBendtrans-70.9126.1-173.4-8.524.4000111.5
470G42.3Very low37.1Very low80 Ų80152.1 Ų152.183%0.82582%0.821SS**  trans157.1-9168.800000119.4R468R468-G470 PolarHBondContact O-N 3.27Å
471E34.8Very low37.7Very low192 Ų192149 Ų14990%0.89781%0.81SS**  trans-128.3135.7-175.7-84.7176.215100113.4
472T35.7Very low37Very low139 Ų139151.8 Ų151.885%0.85381%0.814SS**PPolyproline II helixtrans-86.3134.1179.647.10000110.2
473P37.3Very low36.6Very low116 Ų116152.1 Ų152.175%0.75382%0.816SS**PPolyproline II helixtrans-87.8146.2170.932.7-29.3000110.8
474P37.7Very low36.7Very low133 Ų133150.7 Ų150.786%0.86482%0.815SS**PPolyproline II helixtrans-79.1155.1-176.131.9-32.8000112.9
475L34Very low37.1Very low165 Ų165152.9 Ų152.986%0.86482%0.819SS**PPolyproline II helixtrans-76.7123.9-174.7-71.8157.3000113.7
476R37.4Very low37.1Very low234 Ų234150.9 Ų150.988%0.88382%0.816SS**  trans72.8172.9131.6-119.4-162.6-164-178.36.4119.1
477P51.8Low36.6Very low102 Ų102148 Ų14866%0.66281%0.812SS**  -127168.2-105.642.1-25.8000114.3
478R30.4Very low36.7Very low250 Ų250148.1 Ų148.194%0.94381%0.813SS**  trans-149.7123.9151.3-77.2-156.3174.2176.8-1.4113.4
479F32.4Very low36.3Very low195 Ų195144.3 Ų144.386%0.85581%0.81SS**  trans-59.8142.8153.9-104.5-107.8000109.9
480D31.5Very low37.1Very low158 Ų158142.6 Ų142.685%0.84580%0.799SS**  -161.9149.4112.3-124.93.6000112.5
481P49.8Very low36.7Very low90 Ų90146.8 Ų146.858%0.58480%0.801SS**  trans-97.9145.1-174.837.4-28.9000111.1
482M27.8Very low36.8Very low175 Ų175145.7 Ų145.786%0.86280%0.801SS**  trans-167.4124.4155.2-93.5-37.2-132.700112.8
483V31.4Very low37.1Very low122 Ų122145.2 Ų145.274%0.73980%0.8SS**  trans89.3145.2135.3176.70000116.3
484P39.2Very low36.8Very low110 Ų110143.4 Ų143.471%0.71480%0.802SS**  -127.8177.4-93.722.45.5000113.1
485L41.7Very low36.7Very low169 Ų169149 Ų14989%0.88581%0.806SS**PPolyproline II helixtrans-48142.1172.5-67.2152.3000114.4
486P36.7Very low36.5Very low124 Ų124144.7 Ų144.781%0.80580%0.801SS**PPolyproline II helixtrans-100.2128.2142.4-1.521.1000109.9
487G32Very low36.4Very low68 Ų68136.9 Ų136.970%0.70179%0.794SS**PPolyproline II helixtrans-68.5173.9179.500000115
488P38.3Very low35.6Very low118 Ų118138.2 Ų138.277%0.76680%0.803SS**PPolyproline II helixtrans-92.1147.2-158.835.5-31.9000111.8
489N30.7Very low35.5Very low156 Ų156133 Ų13383%0.83479%0.794SS**  trans-164.3157.4157.1-106.9-4.9000111.3
490P46.8Very low35.6Very low99 Ų99129.8 Ų129.864%0.64379%0.785SS**  -138.799.3-92.433.8-13.7000110.5
491L32.6Very low35.7Very low167 Ų167133.8 Ų133.887%0.87479%0.788SS**  trans-149.968.8178-74.5174.8000111.6
492L38.5Very low34.9Very low169 Ų169139.3 Ų139.389%0.88580%0.804SS**SBendtrans-151.6134.7145.3-79.2-173.3000110.6
493P40.3Very low35.4Very low130 Ų130137 Ų13784%0.84480%0.801SS**  trans-68.5146.7-174.7-414.9000113.5
494G32Very low35.4Very low77 Ų77139 Ų13979%0.79481%0.807SS**  trans-65.6137.4-166.700000116G496G494-G496 PolarHBondContact O-N 3.41Å; G494-G496 VanDerWaalsContact O-N 3.15Å
495R34.6Very low35.2Very low252 Ų252144.5 Ų144.595%0.95181%0.814SS**  trans-70.692.7163-167.5179.6-170.2-136.94.2109G497R495-G497 PolarHBondContact O-N 3.46Å
496G30.2Very low34.7Very low73 Ų73143 Ų14375%0.75381%0.814SS**  trans-73.9111.1171.100000111.2G494G494-G496 PolarHBondContact O-N 3.41Å; G494-G496 VanDerWaalsContact O-N 3.15Å
497G35Very low34.3Very low71 Ų71140.4 Ų140.473%0.73281%0.809SS**  trans-70.7158.9156.900000110.4R495R495-G497 PolarHBondContact O-N 3.46Å
498P35.8Very low34.2Very low130 Ų130149.5 Ų149.584%0.84482%0.823SS**  -142.9141.6114.231.4-15000113.8
499N28.8Very low33.7Very low141 Ų141147.7 Ų147.775%0.75483%0.826SS**  trans-81.4142.5159-148.45.7000108.9
500N33.9Very low33.9Very low126 Ų126151.8 Ų151.867%0.67483%0.829SS**  trans65.1122.9158.2-70.1-18.8000120.1
501R32.8Very low33.5Very low242 Ų242153.1 Ų153.191%0.91384%0.838SS**  -171.799.6115.8-96.9159.3-165.2-164.75.7111.2
502F34.5Very low33.2Very low207 Ų207149.4 Ų149.491%0.90883%0.832SS**PPolyproline II helixtrans-69.6139.7137.7-72.5-83.6000107.7
503P37.2Very low32.7Very low125 Ų125149 Ų14981%0.81283%0.831SS**PPolyproline II helixtrans-97.8128.5156.118.9-2.6000110.2
504L31.1Very low32.2Very low165 Ų165148 Ų14886%0.86483%0.827SS**PPolyproline II helixtrans-84.7139.7162.4-83.6163.6000110.2
505R35.2Very low32.3Very low225 Ų225156 Ų15685%0.84983%0.833SS**  trans75.3151.3157.5-81.4-172.9175.5174.60.4119.5
506P32.4Very low32.6Very low139 Ų139151.6 Ų151.690%0.90383%0.828SS**  -128.5138113.122.7-6.5000112.6
507G28Very low33.3Very low68 Ų68153.2 Ų153.270%0.70183%0.825SS**  trans-144.2111.216100000109.4
508R30.1Very low33.2Very low259 Ų259159.6 Ų159.698%0.97783%0.833SS**  147.2120.1128.4-157.6176-153.8-130.25.7111.8
509G27.7Very low33.1Very low81 Ų81165.9 Ų165.984%0.83585%0.854SS**  trans-177.276168.100000111.3
510R35.1Very low33.3Very low241 Ų241167.1 Ų167.191%0.90986%0.859SS**  trans-78.7154.6154.4-100.9-170.9-177.3-165.41.1107.3
511P37.3Very low33.3Very low127 Ų127169.3 Ų169.383%0.82587%0.868SS**  -141.4-175.555.640.6-20.9000111.6
512A26.3Very low33.3Very low90 Ų90165.2 Ų165.274%0.74487%0.866SS**  cis-154.1152.42.700000105.4
513D27.8Very low33.2Very low161 Ų161162.8 Ų162.886%0.86186%0.864SS**  172.7162.1119-139.5-17000112
514S31.1Very low33Very low109 Ų109165.1 Ų165.176%0.76287%0.867SS**  trans91.189.1171.273.20000117.2
515R33.3Very low33.1Very low244 Ų244165.1 Ų165.192%0.92187%0.867SS**  trans-66.7133.6146.9-68.6175.3170.8160.3-3.1109
516L40.1Very low32.9Very low160 Ų160160.9 Ų160.984%0.83887%0.868SS**  trans-87.2145.6145.8-82.2161.4000107.9
517P45.7Very low33Very low107 Ų107162.5 Ų162.570%0.69587%0.866SS**  trans-107.4140.7145.630.6-18.5000110.4
518F33.3Very low33.4Very low205 Ų205170.4 Ų170.490%0.89988%0.879SS**  trans-80.3147.8154.4-87.4-89.9000108.9
519M33.2Very low33.7Very low261 Ų261162.4 Ų162.4100%1.28687%0.87SS**  trans79.20-177.3-67.3-155134.100117.2

Retrieved 519 of 519 residues in 188.3 ms (Link to these results)

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