A0A061HY45_CRIGR Loading...

Histone lysine demethylase PHF8

AlphaFold DB , UniProt , Accession A0A061HY45, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Phf8, Length 1,023 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
1M42.6Very low77.4Confident248 Ų24894.6 Ų94.6100%1.22254%0.537SS*.  0130.20-67172.3174.100107.9
2A49.3Very low78.2Confident99 Ų9993.6 Ų93.682%0.81853%0.528SS*.PPolyproline II helixtrans-76.9129.5169.500000108.6V4A2-V4 PolarHBondContact O-N 2.74Å
3S66.8Low78.8Confident115 Ų11591.5 Ų91.580%0.80452%0.521SS*.PPolyproline II helixtrans-70.4117.8173510000109.1
4V72.6Confident79Confident103 Ų10394.9 Ų94.962%0.62452%0.522SS*.PPolyproline II helixtrans-55.3129174.5-177.50000108.8A2 V6 P13A2-V4 PolarHBondContact O-N 2.74Å; V4-V6 PolarHBondContact O-N 2.96Å; V4-P13 HydrophobicContact CG1-CB 3.88Å
5P77.6Confident79.1Confident79 Ų7992.1 Ų92.151%0.51351%0.507SS..PPolyproline II helixtrans-65.4133.8-178.427-34.6000110.5Y7P5-Y7 HydrophobicContact CB-CE2 3.89Å; P5-Y7 HydrophobicContact CG-CE2 4.06Å; P5-Y7 WeakPolarHBondContact O-CE2 3.33Å
6V90Very high79Confident70 Ų7094.1 Ų94.142%0.42452%0.522SS..EExtended strand (participates in β ladder)trans-117135.2-179.8-65.80000111.5V4 R11 L12V4-V6 PolarHBondContact O-N 2.96Å; V6-R11 HydrophobicContact CG2-CB 4.39Å; V6-L12 CarbonylContact C-O 3.52Å; V6-L12 VanDerWaalsContact CA-O 3.31Å; V6-L12 WeakPolarHBondContact CA-O 3.33Å
7Y88.9Confident78.8Confident69 Ų6995.8 Ų95.827%0.27154%0.536SS..EExtended strand (participates in β ladder)trans-119.8170.7-169.2-57.8-87.5000110.9P5 R11 L12 W29P5-Y7 HydrophobicContact CB-CE2 3.89Å; P5-Y7 HydrophobicContact CG-CE2 4.06Å; P5-Y7 WeakPolarHBondContact O-CE2 3.33Å; Y7-R11 VanDerWaalsContact O-CA 3.29Å; Y7-R11 WeakPolarHBondContact O-CA 3.35Å; Y7-R11 PolarHBondContact O-N 3.46Å; Y7-L12 PolarHBondContact N-O 3.45Å; Y7-L12 PolarHBondContact O-N 2.74Å; Y7-W29 HydrophobicContact CD1-CB 3.98Å; Y7-W29 HydrophobicContact CG-CB 4.44Å
8C90.1Very high78.9Confident0 Ų095 Ų950%052%0.523CS..THydrogen-bonded Turntrans65.7172.3171.2-168.80000114C10 R11 M20 D28 W29 F30 H31 C34C8-C10 PolarHBondContact O-N 3.24Å; C8-R11 PolarHBondContact O-N 3.03Å; C8-R11 PolarHBondContact O-NE 3.33Å; C8-R11 PolarHBondContact O-NH1 2.89Å; C8-M20 HydrophobicContact CB-CE 4.32Å; C8-D28 PolarHBondContact N-OD1 3.37Å; C8-D28 VanDerWaalsContact N-OD1 3.11Å; C8-W29 WeakPolarHBondContact CA-O 3.35Å; C8-W29 VanDerWaalsContact CB-O 3.3Å; C8-W29 WeakPolarHBondContact CB-O 3.46Å; C8-W29 PolarHBondContact N-O 3.21Å; C8-F30 HydrophobicContact CB-CD1 4.43Å; C8-H31 PolarHBondContact SG-N 3.07Å; C8-H31 VanDerWaalsContact SG-N 3.44Å; C8-C34 VanDerWaalsContact SG-CB 3.55Å
9L90.3Very high79.3Confident77 Ų7793.1 Ų93.140%0.40351%0.509SS..THydrogen-bonded Turntrans-58.2-28.8172.7-59.6177.4000112.7F30 V35 N52L9-F30 HydrophobicContact CD2-CE1 3.89Å; L9-F30 HydrophobicContact CG-CD1 4.06Å; L9-F30 HydrophobicContact CG-CE1 3.87Å; L9-V35 HydrophobicContact CD1-CG1 4.22Å; L9-N52 WeakPolarHBondContact CD2-ND2 3.36Å
10C92.2Very high79.5Confident49 Ų4989.3 Ų89.333%0.33149%0.488SS..THydrogen-bonded Turntrans-82-9.3-179.859.80000114.7C8 L12 H31C8-C10 PolarHBondContact O-N 3.24Å; C10-L12 VanDerWaalsContact C-N 3.29Å; C10-L12 HydrophobicContact CB-CD1 4.32Å; C10-L12 HydrophobicContact CB-CG 4.21Å; C10-L12 PolarHBondContact O-N 2.95Å; C10-H31 PolarHBondContact SG-ND1 3.19Å; C10-H31 VanDerWaalsContact SG-ND1 3.39Å
11R90.7Very high79.8Confident132 Ų13286 Ų8650%0.49847%0.47SS..THydrogen-bonded Turntrans48.747.4180-60.5-65.8169.4-146.7-8.5113.8V6 Y7 C8 D28V6-R11 HydrophobicContact CG2-CB 4.39Å; Y7-R11 VanDerWaalsContact O-CA 3.29Å; Y7-R11 WeakPolarHBondContact O-CA 3.35Å; Y7-R11 PolarHBondContact O-N 3.46Å; C8-R11 PolarHBondContact O-N 3.03Å; C8-R11 PolarHBondContact O-NE 3.33Å; C8-R11 PolarHBondContact O-NH1 2.89Å; R11-D28 IonicContact CZ-OD2 2.89Å; R11-D28 VanDerWaalsContact CZ-OD2 3.28Å; R11-D28 IonicContact NH1-OD1 3.38Å; R11-D28 IonicContact NH1-OD2 3.67Å; R11-D28 PolarHBondContact NH1-OD2 3.46Å; R11-D28 IonicContact NH2-OD2 2.74Å; R11-D28 PolarHBondContact NH2-OD2 2.98Å
12L87.2Confident82Confident82 Ų8278.4 Ų78.443%0.42943%0.431SS..EExtended strand (participates in β ladder)trans-100.2157173.1-66179.1000110.2V6 Y7 C10V6-L12 CarbonylContact C-O 3.52Å; V6-L12 VanDerWaalsContact CA-O 3.31Å; V6-L12 WeakPolarHBondContact CA-O 3.33Å; Y7-L12 PolarHBondContact N-O 3.45Å; Y7-L12 PolarHBondContact O-N 2.74Å; C10-L12 VanDerWaalsContact C-N 3.29Å; C10-L12 HydrophobicContact CB-CD1 4.32Å; C10-L12 HydrophobicContact CB-CG 4.21Å; C10-L12 PolarHBondContact O-N 2.95Å
13P86.5Confident83.9Confident67 Ų6773.7 Ų73.744%0.43539%0.392SS..EExtended strand (participates in β ladder)trans-62.1165.2168.629.5-36.8000111.4V4V4-P13 HydrophobicContact CG1-CB 3.88Å
14Y80.8Confident84.8Confident138 Ų13872.1 Ų72.154%0.54138%0.375SS..PPolyproline II helixtrans-62.7137.1176.3179.6-110.4000111.9V16 M20Y14-V16 HydrophobicContact CD1-CG2 4.33Å; Y14-V16 HydrophobicContact CE1-CG2 3.76Å; Y14-M20 HydrophobicContact CD2-SD 3.58Å; Y14-M20 VanDerWaalsContact CD2-SD 3.58Å; Y14-M20 HydrophobicContact CE2-SD 3.8Å
15D81.4Confident85.6Confident54 Ų5470.9 Ų70.929%0.28936%0.363SS..  trans-128.4112.8-178.3179.5-6.8000109.4T17 R18D15-T17 PolarHBondContact O-N 3.46Å; D15-T17 WeakPolarHBondContact OD1-CB 3.39Å; D15-T17 PolarHBondContact OD1-N 3Å; D15-T17 PolarHBondContact OD1-OG1 3.39Å; D15-T17 PolarHBondContact OD2-OG1 3.41Å; D15-R18 HydrophobicContact CB-CG 4.43Å; D15-R18 PolarHBondContact O-N 3.49Å; D15-R18 WeakPolarHBondContact OD2-CD 3.4Å; D15-R18 WeakPolarHBondContact OD2-CG 3.42Å
16V77.7Confident86.1Confident123 Ų12369.9 Ų69.975%0.74536%0.357SS*.THydrogen-bonded Turntrans-63.4-23.7-177.8-177.20000112.1Y14 R18Y14-V16 HydrophobicContact CD1-CG2 4.33Å; Y14-V16 HydrophobicContact CE1-CG2 3.76Å; V16-R18 VanDerWaalsContact C-N 3.28Å; V16-R18 PolarHBondContact O-N 2.91Å
17T74.6Confident85.9Confident124 Ų12473.9 Ų73.976%0.76137%0.371SS*.THydrogen-bonded Turntrans-81.5-5.7-176.270.20000113.6D15D15-T17 PolarHBondContact O-N 3.46Å; D15-T17 WeakPolarHBondContact OD1-CB 3.39Å; D15-T17 PolarHBondContact OD1-N 3Å; D15-T17 PolarHBondContact OD1-OG1 3.39Å; D15-T17 PolarHBondContact OD2-OG1 3.41Å
18R81.9Confident85.8Confident81 Ų8171.8 Ų71.831%0.30637%0.365SS..SBendtrans-122.5122.8-171.5-63.6-177.568-174.2-1.3111.5D15 V16 M20 S33D15-R18 HydrophobicContact CB-CG 4.43Å; D15-R18 PolarHBondContact O-N 3.49Å; D15-R18 WeakPolarHBondContact OD2-CD 3.4Å; D15-R18 WeakPolarHBondContact OD2-CG 3.42Å; V16-R18 VanDerWaalsContact C-N 3.28Å; V16-R18 PolarHBondContact O-N 2.91Å; R18-M20 WeakPolarHBondContact O-CG 3.06Å; R18-M20 PolarHBondContact O-N 2.86Å; R18-S33 PolarHBondContact NH2-OG 3.46Å; R18-S33 VanDerWaalsContact NH2-OG 3.12Å
19F85.1Confident85.7Confident58 Ų5876.3 Ų76.325%0.25438%0.382SS..  trans-51.8126172.5168.6-106.8000112.1I21 H31 G32 V37 E39 A42F19-I21 HydrophobicContact CE1-CB 4.46Å; F19-I21 HydrophobicContact CZ-CB 3.92Å; F19-H31 WeakPolarHBondContact O-CA 3.39Å; F19-G32 PolarHBondContact O-N 3.24Å; F19-V37 HydrophobicContact CE1-CG1 4.27Å; F19-E39 HydrophobicContact CB-CB 4.33Å; F19-E39 HydrophobicContact CD1-CB 3.97Å; F19-E39 HydrophobicContact CD2-CB 3.93Å; F19-E39 HydrophobicContact CD2-CG 3.67Å; F19-E39 HydrophobicContact CE1-CB 4.39Å; F19-E39 HydrophobicContact CE2-CB 4.35Å; F19-E39 HydrophobicContact CE2-CG 4.1Å; F19-E39 HydrophobicContact CG-CB 3.76Å; F19-E39 HydrophobicContact CG-CG 4Å; F19-A42 HydrophobicContact CE1-CB 4.13Å; F19-A42 HydrophobicContact CE2-CB 4.09Å; F19-A42 HydrophobicContact CZ-CB 3.37Å
20M84.8Confident85.7Confident18 Ų1872.8 Ų72.89%0.08936%0.363CS..EExtended strand (participates in β ladder)trans-127.4150.4176.6-59.2-165.380.500111.9C8 Y14 R18 W29 F30C8-M20 HydrophobicContact CB-CE 4.32Å; Y14-M20 HydrophobicContact CD2-SD 3.58Å; Y14-M20 VanDerWaalsContact CD2-SD 3.58Å; Y14-M20 HydrophobicContact CE2-SD 3.8Å; R18-M20 WeakPolarHBondContact O-CG 3.06Å; R18-M20 PolarHBondContact O-N 2.86Å; M20-W29 HydrophobicContact CB-CE3 3.93Å; M20-W29 HydrophobicContact CE-CB 3.9Å; M20-W29 VanDerWaalsContact CE-O 3.31Å; M20-W29 WeakPolarHBondContact CE-O 3.38Å; M20-F30 CarbonylContact C-O 3.5Å; M20-F30 VanDerWaalsContact CA-O 3.25Å; M20-F30 WeakPolarHBondContact CA-O 3.39Å
21I84.4Confident85.5Confident20 Ų2070.5 Ų70.510%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-130.9134.3178.1-171.1170.7000111.3F19 F30 V37 A42 I45 Y48F19-I21 HydrophobicContact CE1-CB 4.46Å; F19-I21 HydrophobicContact CZ-CB 3.92Å; I21-F30 HydrophobicContact CG2-CB 4.46Å; I21-F30 PolarHBondContact N-O 3.03Å; I21-F30 PolarHBondContact O-N 2.91Å; I21-V37 HydrophobicContact CD1-CG1 4.3Å; I21-A42 HydrophobicContact CD1-CB 3.87Å; I21-I45 HydrophobicContact CD1-CD1 3.98Å; I21-Y48 HydrophobicContact CB-CD1 4.32Å; I21-Y48 HydrophobicContact CD1-CD1 4.11Å; I21-Y48 HydrophobicContact CD1-CD2 4.03Å; I21-Y48 HydrophobicContact CD1-CG 3.64Å; I21-Y48 HydrophobicContact CG1-CD1 3.83Å; I21-Y48 HydrophobicContact CG1-CG 3.87Å; I21-Y48 HydrophobicContact CG2-CD1 3.77Å; I21-Y48 HydrophobicContact CG2-CE1 3.65Å; I21-Y48 HydrophobicContact CG2-CG 4.27Å
22E89.4Confident85.3Confident88 Ų8864.2 Ų64.241%0.41132%0.324SS..EExtended strand (participates in β ladder)trans-81.9133.3179.4-172.8166.7-131.100112.1W29 Y48E22-W29 HydrophobicContact CB-CD2 3.95Å; E22-W29 HydrophobicContact CB-CE3 4.39Å; E22-W29 HydrophobicContact CB-CG 4.41Å; E22-W29 HydrophobicContact CB-CH2 4.2Å; E22-W29 HydrophobicContact CB-CZ2 3.72Å; E22-W29 VanDerWaalsContact CD-NE1 3.26Å; E22-W29 HydrophobicContact CG-CD2 4.48Å; E22-W29 HydrophobicContact CG-CZ2 4.21Å; E22-W29 PolarHBondContact OE1-NE1 2.78Å; E22-Y48 WeakPolarHBondContact O-CD1 3.41Å
23C88.3Confident85.4Confident0 Ų064.9 Ų64.90%034%0.336CS..  trans-86.3113.7173.7177.60000111.2M25 C26 Q27 D28 F30 Y48 C50C23-M25 PolarHBondContact O-N 3.49Å; C23-C26 VanDerWaalsContact CB-SG 3.56Å; C23-C26 PolarHBondContact O-N 3.35Å; C23-C26 VanDerWaalsContact O-N 3.14Å; C23-Q27 WeakPolarHBondContact O-CA 3.22Å; C23-Q27 PolarHBondContact O-N 3.45Å; C23-D28 PolarHBondContact N-O 2.89Å; C23-F30 HydrophobicContact CB-CD2 4.01Å; C23-F30 HydrophobicContact CB-CE2 3.6Å; C23-Y48 CarbonylContact C-O 3.55Å; C23-Y48 WeakPolarHBondContact CA-O 3.32Å; C23-Y48 HydrophobicContact CB-CD1 4.14Å; C23-Y48 HydrophobicContact CB-CE1 4.28Å; C23-C50 HydrophobicContact CB-CB 4.01Å; C23-C50 PolarHBondContact SG-N 3.37Å; C23-C50 VanDerWaalsContact SG-SG 3.69Å
24D87Confident85.5Confident82 Ų8264 Ų6444%0.43933%0.33SS..THydrogen-bonded Turntrans-55.5-31.4-177.4-168.863.6000112.8L47 Y48D24-L47 HydrophobicContact CB-CB 4.23Å; D24-L47 HydrophobicContact CB-CD2 4.44Å; D24-Y48 PolarHBondContact N-O 3.4Å
25M89.3Confident86.1Confident77 Ų7758.7 Ų58.738%0.37931%0.312SS..THydrogen-bonded Turntrans-82.2-24.2-177.4-65.6-55.9-38.800115.4C23 C53 H57C23-M25 PolarHBondContact O-N 3.49Å; M25-C53 HydrophobicContact CB-CB 3.86Å; M25-C53 HydrophobicContact CG-CB 4.4Å; M25-H57 HydrophobicContact CG-CB 4.02Å; M25-H57 HydrophobicContact SD-CB 4.23Å
26C88.3Confident86.3Confident58 Ų5859 Ų5939%0.39233%0.329SS..THydrogen-bonded Turntrans-129.1-7.8-177.570.30000115.7C23 D28C23-C26 VanDerWaalsContact CB-SG 3.56Å; C23-C26 PolarHBondContact O-N 3.35Å; C23-C26 VanDerWaalsContact O-N 3.14Å; C26-D28 PolarHBondContact O-N 3.07Å; C26-D28 VanDerWaalsContact O-N 3.16Å
27Q84.6Confident86.8Confident154 Ų15454 Ų5472%0.7230%0.299SS*.  trans57.127.6177.3-54.8-176.8-3900113.4C23C23-Q27 WeakPolarHBondContact O-CA 3.22Å; C23-Q27 PolarHBondContact O-N 3.45Å
28D87.3Confident87.1Confident25 Ų2551 Ų5113%0.13428%0.276CS..  trans-100.5150.2168-165.3-10000108.4C8 R11 C23 C26 F30C8-D28 PolarHBondContact N-OD1 3.37Å; C8-D28 VanDerWaalsContact N-OD1 3.11Å; R11-D28 IonicContact CZ-OD2 2.89Å; R11-D28 VanDerWaalsContact CZ-OD2 3.28Å; R11-D28 IonicContact NH1-OD1 3.38Å; R11-D28 IonicContact NH1-OD2 3.67Å; R11-D28 PolarHBondContact NH1-OD2 3.46Å; R11-D28 IonicContact NH2-OD2 2.74Å; R11-D28 PolarHBondContact NH2-OD2 2.98Å; C23-D28 PolarHBondContact N-O 2.89Å; C26-D28 PolarHBondContact O-N 3.07Å; C26-D28 VanDerWaalsContact O-N 3.16Å; D28-F30 HydrophobicContact CB-CE2 3.81Å; D28-F30 HydrophobicContact CB-CZ 3.97Å; D28-F30 VanDerWaalsContact O-CD2 3.31Å; D28-F30 WeakPolarHBondContact O-CD2 3.48Å; D28-F30 WeakPolarHBondContact O-CE2 3.44Å
29W87.4Confident87Confident96 Ų9653.2 Ų53.236%0.36429%0.289SS..EExtended strand (participates in β ladder)trans-105.6133.2-173.7-78.466.8000110.2Y7 C8 M20 E22Y7-W29 HydrophobicContact CD1-CB 3.98Å; Y7-W29 HydrophobicContact CG-CB 4.44Å; C8-W29 WeakPolarHBondContact CA-O 3.35Å; C8-W29 VanDerWaalsContact CB-O 3.3Å; C8-W29 WeakPolarHBondContact CB-O 3.46Å; C8-W29 PolarHBondContact N-O 3.21Å; M20-W29 HydrophobicContact CB-CE3 3.93Å; M20-W29 HydrophobicContact CE-CB 3.9Å; M20-W29 VanDerWaalsContact CE-O 3.31Å; M20-W29 WeakPolarHBondContact CE-O 3.38Å; E22-W29 HydrophobicContact CB-CD2 3.95Å; E22-W29 HydrophobicContact CB-CE3 4.39Å; E22-W29 HydrophobicContact CB-CG 4.41Å; E22-W29 HydrophobicContact CB-CH2 4.2Å; E22-W29 HydrophobicContact CB-CZ2 3.72Å; E22-W29 VanDerWaalsContact CD-NE1 3.26Å; E22-W29 HydrophobicContact CG-CD2 4.48Å; E22-W29 HydrophobicContact CG-CZ2 4.21Å; E22-W29 PolarHBondContact OE1-NE1 2.78Å
30F91.2Very high86.4Confident2 Ų251.6 Ų51.61%0.00928%0.284CS..EExtended strand (participates in β ladder)trans-120.5123.5-171.8-64.9-91.6000110.9C8 L9 M20 I21 C23 D28 G32 V35 Y48 C50C8-F30 HydrophobicContact CB-CD1 4.43Å; L9-F30 HydrophobicContact CD2-CE1 3.89Å; L9-F30 HydrophobicContact CG-CD1 4.06Å; L9-F30 HydrophobicContact CG-CE1 3.87Å; M20-F30 CarbonylContact C-O 3.5Å; M20-F30 VanDerWaalsContact CA-O 3.25Å; M20-F30 WeakPolarHBondContact CA-O 3.39Å; I21-F30 HydrophobicContact CG2-CB 4.46Å; I21-F30 PolarHBondContact N-O 3.03Å; I21-F30 PolarHBondContact O-N 2.91Å; C23-F30 HydrophobicContact CB-CD2 4.01Å; C23-F30 HydrophobicContact CB-CE2 3.6Å; D28-F30 HydrophobicContact CB-CE2 3.81Å; D28-F30 HydrophobicContact CB-CZ 3.97Å; D28-F30 VanDerWaalsContact O-CD2 3.31Å; D28-F30 WeakPolarHBondContact O-CD2 3.48Å; D28-F30 WeakPolarHBondContact O-CE2 3.44Å; F30-G32 PolarHBondContact O-N 3.43Å; F30-V35 HydrophobicContact CB-CG1 3.83Å; F30-V35 HydrophobicContact CB-CG2 4.19Å; F30-V35 HydrophobicContact CD1-CG1 3.81Å; F30-V35 HydrophobicContact CG-CG1 4.1Å; F30-Y48 HydrophobicContact CB-CE1 4.28Å; F30-Y48 HydrophobicContact CD2-CE1 4Å; F30-Y48 HydrophobicContact CG-CE1 4.32Å; F30-C50 HydrophobicContact CD1-CB 4.18Å; F30-C50 HydrophobicContact CD2-CB 3.84Å; F30-C50 HydrophobicContact CE1-CB 3.87Å; F30-C50 HydrophobicContact CE2-CB 3.51Å; F30-C50 HydrophobicContact CG-CB 4.18Å; F30-C50 HydrophobicContact CZ-CB 3.54Å; F30-C50 WeakPolarHBondContact CZ-SG 3.49Å
31H88.1Confident85.7Confident1 Ų155.2 Ų55.21%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-56.6127.2168-58.2116.5000108.8C8 C10 F19 S33 C34C8-H31 PolarHBondContact SG-N 3.07Å; C8-H31 VanDerWaalsContact SG-N 3.44Å; C10-H31 PolarHBondContact SG-ND1 3.19Å; C10-H31 VanDerWaalsContact SG-ND1 3.39Å; F19-H31 WeakPolarHBondContact O-CA 3.39Å; H31-S33 PolarHBondContact O-N 3.42Å; H31-C34 HydrophobicContact CB-CB 4.15Å; H31-C34 WeakPolarHBondContact O-CA 3.42Å; H31-C34 WeakPolarHBondContact O-CB 3.45Å; H31-C34 PolarHBondContact O-N 2.91Å
32G85.9Confident85.4Confident1 Ų155 Ų551%0.0130%0.3CS..Hα-helixtrans-55-39.7-177.100000113.1F19 F30 C34 V35 G36 V37F19-G32 PolarHBondContact O-N 3.24Å; F30-G32 PolarHBondContact O-N 3.43Å; G32-C34 VanDerWaalsContact C-N 3.27Å; G32-C34 PolarHBondContact O-N 3.48Å; G32-V35 CarbonylContact O-C 3.56Å; G32-V35 WeakPolarHBondContact O-CG2 3.4Å; G32-V35 PolarHBondContact O-N 3Å; G32-V35 VanDerWaalsContact O-N 3.1Å; G32-G36 PolarHBondContact O-N 3.2Å; G32-V37 CarbonylContact C-O 3.56Å; G32-V37 VanDerWaalsContact C-O 3.28Å; G32-V37 WeakPolarHBondContact CA-O 3.48Å; G32-V37 PolarHBondContact O-N 3.02Å
33S89.4Confident84.7Confident95 Ų9553 Ų5366%0.66430%0.298SS*.Hα-helixtrans-62.4-23.5173.740.30000115R18 H31R18-S33 PolarHBondContact NH2-OG 3.46Å; R18-S33 VanDerWaalsContact NH2-OG 3.12Å; H31-S33 PolarHBondContact O-N 3.42Å
34C88.9Confident84.2Confident48 Ų4855 Ų5532%0.32431%0.309SS..Hα-helixtrans-87-8.8175.5-66.90000113.7C8 H31 G32C8-C34 VanDerWaalsContact SG-CB 3.55Å; H31-C34 HydrophobicContact CB-CB 4.15Å; H31-C34 WeakPolarHBondContact O-CA 3.42Å; H31-C34 WeakPolarHBondContact O-CB 3.45Å; H31-C34 PolarHBondContact O-N 2.91Å; G32-C34 VanDerWaalsContact C-N 3.27Å; G32-C34 PolarHBondContact O-N 3.48Å
35V92.1Very high84Confident27 Ų2751.9 Ų51.916%0.16429%0.292CS..Hα-helixtrans-130.63.7-175.9-64.60000114L9 F30 G32 V37 Y48 P51L9-V35 HydrophobicContact CD1-CG1 4.22Å; F30-V35 HydrophobicContact CB-CG1 3.83Å; F30-V35 HydrophobicContact CB-CG2 4.19Å; F30-V35 HydrophobicContact CD1-CG1 3.81Å; F30-V35 HydrophobicContact CG-CG1 4.1Å; G32-V35 CarbonylContact O-C 3.56Å; G32-V35 WeakPolarHBondContact O-CG2 3.4Å; G32-V35 PolarHBondContact O-N 3Å; G32-V35 VanDerWaalsContact O-N 3.1Å; V35-V37 HydrophobicContact CG2-CB 4.14Å; V35-V37 HydrophobicContact CG2-CG2 3.96Å; V35-Y48 VanDerWaalsContact CB-OH 3.25Å; V35-Y48 WeakPolarHBondContact CB-OH 3.5Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.42Å; V35-Y48 VanDerWaalsContact CG2-OH 3.28Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.35Å; V35-P51 HydrophobicContact CG1-CG 4.42Å
36G87.6Confident83.5Confident61 Ų6152.7 Ų52.763%0.62930%0.298SS*.THydrogen-bonded Turntrans75.619.317900000114.8G32G32-G36 PolarHBondContact O-N 3.2Å
37V86.4Confident83.3Confident19 Ų1953.3 Ų53.312%0.11530%0.297CS..  trans-104.8106.3178.2-179.60000109.1F19 I21 G32 V35 A42 I45 Y48F19-V37 HydrophobicContact CE1-CG1 4.27Å; I21-V37 HydrophobicContact CD1-CG1 4.3Å; G32-V37 CarbonylContact C-O 3.56Å; G32-V37 VanDerWaalsContact C-O 3.28Å; G32-V37 WeakPolarHBondContact CA-O 3.48Å; G32-V37 PolarHBondContact O-N 3.02Å; V35-V37 HydrophobicContact CG2-CB 4.14Å; V35-V37 HydrophobicContact CG2-CG2 3.96Å; V37-A42 HydrophobicContact CG1-CB 4.05Å; V37-I45 HydrophobicContact CG1-CD1 4Å; V37-Y48 HydrophobicContact CG2-CE2 3.9Å
38E82.1Confident83.5Confident60 Ų6046.6 Ų46.628%0.2827%0.265SS..  trans-67.3149.4164.3-69.1126.3-124.100110.6D40 K41 A42E38-D40 PolarHBondContact O-N 3.4Å; E38-K41 HydrophobicContact CB-CD 4.17Å; E38-K41 HydrophobicContact CB-CG 4.31Å; E38-K41 WeakPolarHBondContact O-CA 3.37Å; E38-K41 WeakPolarHBondContact O-CB 3.31Å; E38-K41 PolarHBondContact O-N 2.88Å; E38-K41 IonicContact OE1-NZ 2.72Å; E38-K41 PolarHBondContact OE1-NZ 2.93Å; E38-K41 WeakPolarHBondContact OE2-CD 3.24Å; E38-K41 WeakPolarHBondContact OE2-CE 3.4Å; E38-K41 IonicContact OE2-NZ 3.01Å; E38-K41 PolarHBondContact OE2-NZ 3.46Å; E38-A42 PolarHBondContact O-N 3.48Å
39E78.8Confident83.7Confident127 Ų12745.9 Ų45.959%0.59326%0.261SS*.Hα-helixtrans-54-40.4177.8-174.5163.3-17200112.1F19 K41 A42 A43F19-E39 HydrophobicContact CB-CB 4.33Å; F19-E39 HydrophobicContact CD1-CB 3.97Å; F19-E39 HydrophobicContact CD2-CB 3.93Å; F19-E39 HydrophobicContact CD2-CG 3.67Å; F19-E39 HydrophobicContact CE1-CB 4.39Å; F19-E39 HydrophobicContact CE2-CB 4.35Å; F19-E39 HydrophobicContact CE2-CG 4.1Å; F19-E39 HydrophobicContact CG-CB 3.76Å; F19-E39 HydrophobicContact CG-CG 4Å; E39-K41 VanDerWaalsContact C-N 3.26Å; E39-K41 PolarHBondContact O-N 3.48Å; E39-A42 WeakPolarHBondContact O-CB 3.45Å; E39-A42 PolarHBondContact O-N 3.44Å; E39-A42 VanDerWaalsContact O-N 3.14Å; E39-A43 PolarHBondContact O-N 3.36Å
40D72.6Confident83.9Confident25 Ų2541.3 Ų41.313%0.13424%0.244CC..Hα-helixtrans-66.5-24177.8-64.1-61.6000114.9E38 R164 C168 K169E38-D40 PolarHBondContact O-N 3.4Å; D40-R164 PolarHBondContact O-NH1 2.95Å; D40-C168 HydrophobicContact CB-CB 3.99Å; D40-C168 WeakPolarHBondContact OD1-CA 3.4Å; D40-C168 VanDerWaalsContact OD1-CB 3.27Å; D40-C168 WeakPolarHBondContact OD1-CB 3.28Å; D40-C168 WeakPolarHBondContact OD2-CA 3.43Å; D40-C168 VanDerWaalsContact OD2-CB 3.23Å; D40-C168 WeakPolarHBondContact OD2-CB 3.38Å; D40-C168 PolarHBondContact OD2-SG 2.84Å; D40-K169 PolarHBondContact OD2-N 3.45Å
41K71.5Confident84Confident94 Ų9443.7 Ų43.741%0.40926%0.26SS..Hα-helixtrans-84.7-34.1174-67.2171.7174.6158.20110.9E38 E39 A43 D44 I45E38-K41 HydrophobicContact CB-CD 4.17Å; E38-K41 HydrophobicContact CB-CG 4.31Å; E38-K41 WeakPolarHBondContact O-CA 3.37Å; E38-K41 WeakPolarHBondContact O-CB 3.31Å; E38-K41 PolarHBondContact O-N 2.88Å; E38-K41 IonicContact OE1-NZ 2.72Å; E38-K41 PolarHBondContact OE1-NZ 2.93Å; E38-K41 WeakPolarHBondContact OE2-CD 3.24Å; E38-K41 WeakPolarHBondContact OE2-CE 3.4Å; E38-K41 IonicContact OE2-NZ 3.01Å; E38-K41 PolarHBondContact OE2-NZ 3.46Å; E39-K41 VanDerWaalsContact C-N 3.26Å; E39-K41 PolarHBondContact O-N 3.48Å; K41-A43 PolarHBondContact O-N 3.22Å; K41-D44 PolarHBondContact O-N 2.81Å; K41-I45 PolarHBondContact O-N 3.22Å
42A76.5Confident84.2Confident16 Ų1648.7 Ų48.713%0.13229%0.286CS..Hα-helixtrans-59.1-34.5176.200000112.8F19 I21 V37 E38 E39 D44 I45F19-A42 HydrophobicContact CE1-CB 4.13Å; F19-A42 HydrophobicContact CE2-CB 4.09Å; F19-A42 HydrophobicContact CZ-CB 3.37Å; I21-A42 HydrophobicContact CD1-CB 3.87Å; V37-A42 HydrophobicContact CG1-CB 4.05Å; E38-A42 PolarHBondContact O-N 3.48Å; E39-A42 WeakPolarHBondContact O-CB 3.45Å; E39-A42 PolarHBondContact O-N 3.44Å; E39-A42 VanDerWaalsContact O-N 3.14Å; A42-D44 PolarHBondContact O-N 3.13Å; A42-I45 PolarHBondContact O-N 3.17Å
43A75.4Confident84.5Confident44 Ų4449.3 Ų49.336%0.36429%0.29SS..THydrogen-bonded Turntrans-56.5-29.4172.600000113.8E39 K41 K63E39-A43 PolarHBondContact O-N 3.36Å; K41-A43 PolarHBondContact O-N 3.22Å; A43-K63 VanDerWaalsContact O-CD 3.25Å; A43-K63 WeakPolarHBondContact O-CD 3.5Å; A43-K63 PolarHBondContact O-NZ 3.13Å
44D77.1Confident84.6Confident43 Ų4348.8 Ų48.823%0.2328%0.277CS..THydrogen-bonded Turntrans-89.3-7.5176.6-68.6-64.8000113.8K41 A42 M62 K63 K186K41-D44 PolarHBondContact O-N 2.81Å; A42-D44 PolarHBondContact O-N 3.13Å; D44-M62 HydrophobicContact CB-CE 3.75Å; D44-K63 WeakPolarHBondContact O-CB 3.37Å; D44-K63 PolarHBondContact O-N 3.47Å; D44-K186 WeakPolarHBondContact OD2-CE 3.44Å; D44-K186 IonicContact OD2-NZ 3.69Å; D44-K186 PolarHBondContact OD2-NZ 3.19Å
45I82.8Confident84.8Confident17 Ų1752.5 Ų52.59%0.08730%0.298CS..EExtended strand (participates in β ladder)trans-86.1133.8176.4-57.9173.5000109.6I21 V37 K41 A42 Y48 M62 K63I21-I45 HydrophobicContact CD1-CD1 3.98Å; V37-I45 HydrophobicContact CG1-CD1 4Å; K41-I45 PolarHBondContact O-N 3.22Å; A42-I45 PolarHBondContact O-N 3.17Å; I45-Y48 HydrophobicContact CD1-CD2 4.15Å; I45-M62 HydrophobicContact CG1-CE 4.06Å; I45-M62 HydrophobicContact CG1-SD 3.82Å; I45-K63 WeakPolarHBondContact O-CE 3.26Å; I45-K63 PolarHBondContact O-NZ 2.97Å
46D80.3Confident84.7Confident94 Ų9457.6 Ų57.650%0.50332%0.324SS..EExtended strand (participates in β ladder)trans-91.5-49.8176.4-133.54.5000110.1I61 K63D46-I61 WeakPolarHBondContact CA-O 3.39Å; D46-I61 HydrophobicContact CB-CG2 4.38Å; D46-I61 VanDerWaalsContact CB-O 3.26Å; D46-I61 WeakPolarHBondContact CB-O 3.34Å; D46-I61 PolarHBondContact N-O 3.48Å; D46-K63 HydrophobicContact CB-CB 4.42Å; D46-K63 HydrophobicContact CB-CG 3.68Å; D46-K63 VanDerWaalsContact CG-CG 3.45Å; D46-K63 WeakPolarHBondContact OD1-CG 3.5Å
47L84.1Confident84.7Confident70 Ų7059.4 Ų59.437%0.36632%0.316SS..EExtended strand (participates in β ladder)trans-134.4117.3174.1-55.5170.7000108D24 I61D24-L47 HydrophobicContact CB-CB 4.23Å; D24-L47 HydrophobicContact CB-CD2 4.44Å; L47-I61 HydrophobicContact CB-CB 4.23Å; L47-I61 HydrophobicContact CB-CD1 4.47Å; L47-I61 HydrophobicContact CD1-CD1 4.05Å; L47-I61 PolarHBondContact N-O 3.47Å; L47-I61 VanDerWaalsContact N-O 3.14Å; L47-I61 PolarHBondContact O-N 2.92Å
48Y88.9Confident84.8Confident13 Ų1359.9 Ų59.95%0.05132%0.324CS..  trans-86133.8-179.1172.6-114.7000111I21 E22 C23 D24 F30 V35 V37 I45 C50 S60I21-Y48 HydrophobicContact CB-CD1 4.32Å; I21-Y48 HydrophobicContact CD1-CD1 4.11Å; I21-Y48 HydrophobicContact CD1-CD2 4.03Å; I21-Y48 HydrophobicContact CD1-CG 3.64Å; I21-Y48 HydrophobicContact CG1-CD1 3.83Å; I21-Y48 HydrophobicContact CG1-CG 3.87Å; I21-Y48 HydrophobicContact CG2-CD1 3.77Å; I21-Y48 HydrophobicContact CG2-CE1 3.65Å; I21-Y48 HydrophobicContact CG2-CG 4.27Å; E22-Y48 WeakPolarHBondContact O-CD1 3.41Å; C23-Y48 CarbonylContact C-O 3.55Å; C23-Y48 WeakPolarHBondContact CA-O 3.32Å; C23-Y48 HydrophobicContact CB-CD1 4.14Å; C23-Y48 HydrophobicContact CB-CE1 4.28Å; D24-Y48 PolarHBondContact N-O 3.4Å; F30-Y48 HydrophobicContact CB-CE1 4.28Å; F30-Y48 HydrophobicContact CD2-CE1 4Å; F30-Y48 HydrophobicContact CG-CE1 4.32Å; V35-Y48 VanDerWaalsContact CB-OH 3.25Å; V35-Y48 WeakPolarHBondContact CB-OH 3.5Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.42Å; V35-Y48 VanDerWaalsContact CG2-OH 3.28Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.35Å; V37-Y48 HydrophobicContact CG2-CE2 3.9Å; I45-Y48 HydrophobicContact CD1-CD2 4.15Å; Y48-C50 HydrophobicContact CE1-CB 3.96Å; Y48-C50 WeakPolarHBondContact OH-CA 3.5Å; Y48-S60 WeakPolarHBondContact CD2-OG 3.22Å
49H90.7Very high85.2Confident10 Ų1061.2 Ų61.25%0.04634%0.338CS..  trans-115.2121.1170.7-60.5169.9000108.3G58 P59 S60H49-G58 PolarHBondContact ND1-O 3.4Å; H49-P59 PolarHBondContact ND1-O 3.32Å; H49-S60 PolarHBondContact N-OG 2.81Å; H49-S60 PolarHBondContact O-OG 2.94Å
50C90.9Very high85.7Confident1 Ų156.5 Ų56.51%0.00732%0.319CS..  trans-70.6161.8175.475.20000111.8C23 F30 Y48 N52 C53 E54C23-C50 HydrophobicContact CB-CB 4.01Å; C23-C50 PolarHBondContact SG-N 3.37Å; C23-C50 VanDerWaalsContact SG-SG 3.69Å; F30-C50 HydrophobicContact CD1-CB 4.18Å; F30-C50 HydrophobicContact CD2-CB 3.84Å; F30-C50 HydrophobicContact CE1-CB 3.87Å; F30-C50 HydrophobicContact CE2-CB 3.51Å; F30-C50 HydrophobicContact CG-CB 4.18Å; F30-C50 HydrophobicContact CZ-CB 3.54Å; F30-C50 WeakPolarHBondContact CZ-SG 3.49Å; Y48-C50 HydrophobicContact CE1-CB 3.96Å; Y48-C50 WeakPolarHBondContact OH-CA 3.5Å; C50-N52 PolarHBondContact O-N 2.93Å; C50-C53 CarbonylContact O-C 3.56Å; C50-C53 WeakPolarHBondContact O-CA 3.46Å; C50-C53 PolarHBondContact O-N 3.24Å; C50-E54 PolarHBondContact O-N 2.95Å
51P93.4Very high86.4Confident52 Ų5259 Ų5934%0.33833%0.331SS..Hα-helixtrans-53.8-30.9-174.5-30.236.4000115.3V35V35-P51 HydrophobicContact CG1-CG 4.42Å
52N93.2Very high86.9Confident105 Ų10559.3 Ų59.356%0.56134%0.336SS*.Hα-helixtrans-73.6-34.7175.9-65.2-27000112.9L9 C50L9-N52 WeakPolarHBondContact CD2-ND2 3.36Å; C50-N52 PolarHBondContact O-N 2.93Å
53C91.4Very high87Confident14 Ų1463 Ų6310%0.09535%0.349CS..Hα-helixtrans-82.9-30.8178.4-71.20000112.2M25 C50 V55 L56 H57M25-C53 HydrophobicContact CB-CB 3.86Å; M25-C53 HydrophobicContact CG-CB 4.4Å; C50-C53 CarbonylContact O-C 3.56Å; C50-C53 WeakPolarHBondContact O-CA 3.46Å; C50-C53 PolarHBondContact O-N 3.24Å; C53-V55 VanDerWaalsContact C-N 3.28Å; C53-V55 PolarHBondContact O-N 3.08Å; C53-L56 PolarHBondContact O-N 2.99Å; C53-H57 WeakPolarHBondContact O-CB 3.33Å; C53-H57 PolarHBondContact O-CD2 3.01Å; C53-H57 PolarHBondContact O-N 3.14Å
54E92.9Very high86.4Confident85 Ų8569.8 Ų69.840%0.39737%0.37SS..Hα-helixtrans-56-41.5177.8171163.9-148.800112.4C50 L56 G58 P59C50-E54 PolarHBondContact O-N 2.95Å; E54-L56 PolarHBondContact O-N 2.85Å; E54-G58 WeakPolarHBondContact CA-O 3.36Å; E54-G58 CarbonylContact O-C 3.59Å; E54-G58 VanDerWaalsContact O-CA 3.26Å; E54-G58 WeakPolarHBondContact O-CA 3.38Å; E54-G58 PolarHBondContact O-N 3.37Å; E54-P59 WeakPolarHBondContact OE1-CA 3.24Å; E54-P59 WeakPolarHBondContact OE1-CB 3.27Å
55V92.7Very high85.3Confident125 Ų12575 Ų7576%0.75839%0.386SS*.Hα-helixtrans-61.8-25.8176.91790000112.8C53C53-V55 VanDerWaalsContact C-N 3.28Å; C53-V55 PolarHBondContact O-N 3.08Å
56L90.2Very high83.5Confident135 Ų13585 Ų8571%0.70742%0.423SS*.Hα-helixtrans-104.8-25-175.7-62177.6000113.8C53 E54C53-L56 PolarHBondContact O-N 2.99Å; E54-L56 PolarHBondContact O-N 2.85Å
57H86.9Confident81.6Confident99 Ų9983.5 Ų83.546%0.45843%0.429SS..Hα-helixtrans-127.1-0.9-170-57-60.4000113.9M25 C53M25-H57 HydrophobicContact CG-CB 4.02Å; M25-H57 HydrophobicContact SD-CB 4.23Å; C53-H57 WeakPolarHBondContact O-CB 3.33Å; C53-H57 PolarHBondContact O-CD2 3.01Å; C53-H57 PolarHBondContact O-N 3.14Å
58G88.7Confident79.9Confident28 Ų2886.2 Ų86.229%0.28945%0.454SS..  trans85.6171.4-175.500000112.9H49 E54H49-G58 PolarHBondContact ND1-O 3.4Å; E54-G58 WeakPolarHBondContact CA-O 3.36Å; E54-G58 CarbonylContact O-C 3.59Å; E54-G58 VanDerWaalsContact O-CA 3.26Å; E54-G58 WeakPolarHBondContact O-CA 3.38Å; E54-G58 PolarHBondContact O-N 3.37Å
59P91.3Very high77.8Confident89 Ų8990.4 Ų90.458%0.57849%0.486SS*.SBendtrans-60.4160.8-178.725.7-35.8000112.9H49 E54 I61H49-P59 PolarHBondContact ND1-O 3.32Å; E54-P59 WeakPolarHBondContact OE1-CA 3.24Å; E54-P59 WeakPolarHBondContact OE1-CB 3.27Å; P59-I61 PolarHBondContact O-N 2.66Å
60S89.3Confident75.5Confident28 Ų28100.2 Ų100.220%0.19653%0.528CS..  trans-51136.2174.3-70.60000112.1Y48 H49 M62Y48-S60 WeakPolarHBondContact CD2-OG 3.22Å; H49-S60 PolarHBondContact N-OG 2.81Å; H49-S60 PolarHBondContact O-OG 2.94Å; S60-M62 PolarHBondContact O-N 3.28Å
61I85.8Confident72.7Confident76 Ų76103.7 Ų103.739%0.3956%0.564SS.*EExtended strand (participates in β ladder)trans-84104.8-177.4-62.4169.2000108.2D46 L47 P59D46-I61 WeakPolarHBondContact CA-O 3.39Å; D46-I61 HydrophobicContact CB-CG2 4.38Å; D46-I61 VanDerWaalsContact CB-O 3.26Å; D46-I61 WeakPolarHBondContact CB-O 3.34Å; D46-I61 PolarHBondContact N-O 3.48Å; L47-I61 HydrophobicContact CB-CB 4.23Å; L47-I61 HydrophobicContact CB-CD1 4.47Å; L47-I61 HydrophobicContact CD1-CD1 4.05Å; L47-I61 PolarHBondContact N-O 3.47Å; L47-I61 VanDerWaalsContact N-O 3.14Å; L47-I61 PolarHBondContact O-N 2.92Å; P59-I61 PolarHBondContact O-N 2.66Å
62M82.4Confident70.4Confident102 Ų102110 Ų11050%0.50259%0.589SS.*EExtended strand (participates in β ladder)trans-68.1142174.4-54.5-55.8-70.600111.2D44 I45 S60 K64D44-M62 HydrophobicContact CB-CE 3.75Å; I45-M62 HydrophobicContact CG1-CE 4.06Å; I45-M62 HydrophobicContact CG1-SD 3.82Å; S60-M62 PolarHBondContact O-N 3.28Å; M62-K64 PolarHBondContact O-N 2.85Å
63K79.4Confident68Low93 Ų93109.2 Ų109.240%0.40459%0.585SS.*  trans-53.1129.4171.8-82.6159.1-179.2137.70109.1A43 D44 I45 D46 R65A43-K63 VanDerWaalsContact O-CD 3.25Å; A43-K63 WeakPolarHBondContact O-CD 3.5Å; A43-K63 PolarHBondContact O-NZ 3.13Å; D44-K63 WeakPolarHBondContact O-CB 3.37Å; D44-K63 PolarHBondContact O-N 3.47Å; I45-K63 WeakPolarHBondContact O-CE 3.26Å; I45-K63 PolarHBondContact O-NZ 2.97Å; D46-K63 HydrophobicContact CB-CB 4.42Å; D46-K63 HydrophobicContact CB-CG 3.68Å; D46-K63 VanDerWaalsContact CG-CG 3.45Å; D46-K63 WeakPolarHBondContact OD1-CG 3.5Å; K63-R65 VanDerWaalsContact C-N 3.33Å; K63-R65 PolarHBondContact O-N 2.96Å
64K62.9Low65.6Low186 Ų186114.4 Ų114.481%0.80962%0.616SS**  trans-65.790.8-179.4-73.5178.7-179.3169.20110.9M62 R66M62-K64 PolarHBondContact O-N 2.85Å; K64-R66 PolarHBondContact O-N 3.49Å
65R52.8Low63.3Low152 Ų152116.9 Ų116.957%0.57463%0.628SS**  trans-43.9116.4159.7-101.7-177.9166.8-165.8-5107.6K63 G67 E185K63-R65 VanDerWaalsContact C-N 3.33Å; K63-R65 PolarHBondContact O-N 2.96Å; R65-G67 PolarHBondContact O-N 2.96Å; R65-E185 VanDerWaalsContact CZ-O 3.25Å; R65-E185 PolarHBondContact NH1-O 3.43Å; R65-E185 PolarHBondContact NH2-O 2.9Å
66R45.4Very low60.9Low229 Ų229119.1 Ų119.186%0.86463%0.627SS**  trans-75.464.5174.1-62.1-170.7-172.3-158.53.1109.2K64K64-R66 PolarHBondContact O-N 3.49Å
67G40.1Very low59.4Low61 Ų61116.4 Ų116.463%0.62963%0.632SS**  trans-62.4132.2-179.700000110.6R65 S69R65-G67 PolarHBondContact O-N 2.96Å; G67-S69 PolarHBondContact O-N 3.11Å; G67-S69 VanDerWaalsContact O-N 3.08Å
68S48.8Very low58.6Low127 Ų127120.2 Ų120.289%0.88865%0.647SS**SBendtrans-70.4103.8-176.2-175.10000111.8
69S44.3Very low58.4Low102 Ų102122.1 Ų122.171%0.71365%0.654SS**  trans-165.8143.5147.149.90000111.8G67G67-S69 PolarHBondContact O-N 3.11Å; G67-S69 VanDerWaalsContact O-N 3.08Å
70K42.5Very low58.4Low216 Ų216120.2 Ų120.294%0.93964%0.641SS**SBendtrans60.375.4176.6-59.8-177.9-179.41770116.2
71G33Very low58.4Low74 Ų74124.6 Ų124.676%0.76366%0.656SS**  trans-172.4110.1163.600000112
72H43.4Very low58.8Low183 Ų183121.1 Ų121.185%0.84764%0.639SS**  trans-82.4132.3177.4-161.9-93.3000109.9
73D43.2Very low59.3Low89 Ų89116.5 Ų116.548%0.47662%0.617SS.*SBendtrans69.151.5157.4-135.9-16.1000121.1K76D73-K76 VanDerWaalsContact OD1-CD 3.26Å; D73-K76 WeakPolarHBondContact OD1-CD 3.46Å; D73-K76 WeakPolarHBondContact OD1-CE 3.31Å; D73-K76 IonicContact OD1-NZ 2.94Å; D73-K76 PolarHBondContact OD1-NZ 3.31Å; D73-K76 IonicContact OD2-NZ 3.28Å; D73-K76 PolarHBondContact OD2-NZ 2.8Å
74T40.5Very low60Low124 Ų124113.3 Ų113.376%0.76161%0.606SS**  trans-135.515.7169.543.60000116.5
75H45.2Very low61.4Low137 Ų137109.4 Ų109.463%0.63460%0.602SS**  trans-123.119.9178.3-89.2-69.3000115.4G77H75-G77 PolarHBondContact O-N 3.48Å; H75-G77 VanDerWaalsContact O-N 3.12Å
76K42.8Very low63.4Low172 Ų172106 Ų10675%0.74859%0.594SS**THydrogen-bonded Turntrans-73.295.9169.1-69.9170.7178.5156.10110.2D73D73-K76 VanDerWaalsContact OD1-CD 3.26Å; D73-K76 WeakPolarHBondContact OD1-CD 3.46Å; D73-K76 WeakPolarHBondContact OD1-CE 3.31Å; D73-K76 IonicContact OD1-NZ 2.94Å; D73-K76 PolarHBondContact OD1-NZ 3.31Å; D73-K76 IonicContact OD2-NZ 3.28Å; D73-K76 PolarHBondContact OD2-NZ 2.8Å
77G59Low65.8Low78 Ų7895.7 Ų95.780%0.80456%0.556SS**THydrogen-bonded Turntrans144.81168.700000118.6H75H75-G77 PolarHBondContact O-N 3.48Å; H75-G77 VanDerWaalsContact O-N 3.12Å
78K70.8Confident68.5Low178 Ų17893.1 Ų93.177%0.77453%0.527SS*.SBendtrans-108.1136165.7-66.8-157.2173.9-158.40109.8
79P82.8Confident70.8Confident69 Ų6993.7 Ų93.745%0.44851%0.51SS..PPolyproline II helixtrans-67.2163176.930.1-35.6000111.3E290P79-E290 HydrophobicContact CB-CB 4.12Å; P79-E290 HydrophobicContact CG-CB 3.79Å; P79-E290 VanDerWaalsContact CG-CD 3.45Å; P79-E290 HydrophobicContact CG-CG 4.03Å; P79-E290 WeakPolarHBondContact CG-OE2 3.45Å
80V91.1Very high73.2Confident49 Ų4992.3 Ų92.330%0.29749%0.492SS..PPolyproline II helixtrans-84.1121.8-178.4-173.30000108.8M86 F87V80-M86 HydrophobicContact CG1-CB 3.68Å; V80-F87 HydrophobicContact CG1-CB 3.88Å
81K90.8Very high75.8Confident119 Ų11982.1 Ų82.152%0.51745%0.448SS..PPolyproline II helixtrans-74.4138.7180-67.7-154.7167.2-148.60112.7S84 F87 N289 E290K81-S84 VanDerWaalsContact O-CB 3.25Å; K81-S84 WeakPolarHBondContact O-CB 3.46Å; K81-S84 PolarHBondContact O-N 3Å; K81-S84 PolarHBondContact O-OG 3.01Å; K81-F87 WeakPolarHBondContact O-CB 3.3Å; K81-N289 CarbonylContact C-O 3.28Å; K81-N289 VanDerWaalsContact CA-O 3.28Å; K81-N289 WeakPolarHBondContact CA-O 3.45Å; K81-E290 VanDerWaalsContact CE-OE1 3.24Å; K81-E290 WeakPolarHBondContact CE-OE1 3.15Å; K81-E290 HydrophobicContact CG-CG 4.42Å; K81-E290 IonicContact NZ-OE1 2.69Å
82T93.1Very high78.8Confident4 Ų482.5 Ų82.53%0.02543%0.427CS..THydrogen-bonded Turntrans-46.3142.4169.9-61.50000111.3S84 F87 Q165 Y243 D245 N289T82-S84 PolarHBondContact O-N 2.86Å; T82-F87 HydrophobicContact CG2-CE1 4.37Å; T82-F87 HydrophobicContact CG2-CZ 4.19Å; T82-Q165 HydrophobicContact CG2-CG 3.82Å; T82-Y243 HydrophobicContact CG2-CD1 4.11Å; T82-Y243 HydrophobicContact CG2-CE1 3.66Å; T82-D245 HydrophobicContact CG2-CB 3.92Å; T82-D245 WeakPolarHBondContact CG2-OD2 2.99Å; T82-D245 PolarHBondContact OG1-OD2 2.77Å; T82-N289 PolarHBondContact N-O 3.05Å; T82-N289 PolarHBondContact OG1-O 3.2Å
83G92.5Very high81.3Confident4 Ų480 Ų804%0.04142%0.419CS..THydrogen-bonded Turntrans71-13177.300000116.1V162G83-V162 CarbonylContact C-O 3.58Å; G83-V162 WeakPolarHBondContact CA-O 3.45Å
84S94.2Very high83.8Confident26 Ų2679.4 Ų79.418%0.18241%0.411CS..SBendtrans-65153.6175.673.20000112.6K81 T82 M86 F87 I88K81-S84 VanDerWaalsContact O-CB 3.25Å; K81-S84 WeakPolarHBondContact O-CB 3.46Å; K81-S84 PolarHBondContact O-N 3Å; K81-S84 PolarHBondContact O-OG 3.01Å; T82-S84 PolarHBondContact O-N 2.86Å; S84-M86 PolarHBondContact O-N 2.87Å; S84-M86 VanDerWaalsContact O-N 3.09Å; S84-F87 WeakPolarHBondContact O-CA 3.37Å; S84-F87 WeakPolarHBondContact O-CB 3.41Å; S84-F87 PolarHBondContact O-N 3.02Å; S84-F87 WeakPolarHBondContact OG-CB 3.48Å; S84-F87 PolarHBondContact OG-N 3.26Å; S84-I88 WeakPolarHBondContact O-CG1 3.39Å; S84-I88 PolarHBondContact O-N 3.49Å
85S93.4Very high86.5Confident104 Ų10480.1 Ų80.173%0.72742%0.415SS*.Hα-helixtrans-62.1-21.1178.958.30000114.3R89S85-R89 PolarHBondContact O-N 3.06Å
86M93.9Very high89Confident82 Ų8275.9 Ų75.940%0.40440%0.395SS..Hα-helixtrans-69.8-52.5168.3-70.7-70.2-62.200110.8V80 S84 I88 R89 E90V80-M86 HydrophobicContact CG1-CB 3.68Å; S84-M86 PolarHBondContact O-N 2.87Å; S84-M86 VanDerWaalsContact O-N 3.09Å; M86-I88 PolarHBondContact O-N 3.45Å; M86-R89 VanDerWaalsContact CE-NH2 3.26Å; M86-R89 PolarHBondContact O-N 3.17Å; M86-R89 PolarHBondContact SD-NH2 3.23Å; M86-E90 PolarHBondContact O-N 3.39Å
87F96.4Very high91.5Very high12 Ų1269.7 Ų69.75%0.05337%0.37CS..Hα-helixtrans-56.1-46.9176.8170.7-90.9000112V80 K81 T82 S84 R89 E90 L91 Y243 F292V80-F87 HydrophobicContact CG1-CB 3.88Å; K81-F87 WeakPolarHBondContact O-CB 3.3Å; T82-F87 HydrophobicContact CG2-CE1 4.37Å; T82-F87 HydrophobicContact CG2-CZ 4.19Å; S84-F87 WeakPolarHBondContact O-CA 3.37Å; S84-F87 WeakPolarHBondContact O-CB 3.41Å; S84-F87 PolarHBondContact O-N 3.02Å; S84-F87 WeakPolarHBondContact OG-CB 3.48Å; S84-F87 PolarHBondContact OG-N 3.26Å; F87-R89 VanDerWaalsContact C-N 3.3Å; F87-R89 PolarHBondContact O-N 3.01Å; F87-E90 PolarHBondContact O-N 3.41Å; F87-L91 HydrophobicContact CE1-CD2 3.84Å; F87-L91 HydrophobicContact CZ-CD2 4.29Å; F87-L91 VanDerWaalsContact O-CB 3.26Å; F87-L91 WeakPolarHBondContact O-CB 3.44Å; F87-L91 PolarHBondContact O-N 3.07Å; F87-Y243 AromaticContact CE1-CD1 3.73Å; F87-Y243 HydrophobicContact CE1-CD1 3.73Å; F87-Y243 HydrophobicContact CE1-CD2 4.16Å; F87-Y243 AromaticContact CE1-CE1 3.51Å; F87-Y243 HydrophobicContact CE1-CE1 3.51Å; F87-Y243 AromaticContact CE1-CE2 3.97Å; F87-Y243 HydrophobicContact CE1-CE2 3.97Å; F87-Y243 HydrophobicContact CE1-CG 4.04Å; F87-Y243 AromaticContact CE1-CZ 3.64Å; F87-Y243 HydrophobicContact CZ-CD1 4.37Å; F87-Y243 AromaticContact CZ-CE1 3.68Å; F87-Y243 HydrophobicContact CZ-CE1 3.68Å; F87-Y243 HydrophobicContact CZ-CE2 4.24Å; F87-Y243 AromaticContact CZ-CZ 3.61Å; F87-F292 HydrophobicContact CE2-CB 4.48Å; F87-F292 AromaticContact CE2-CD2 3.83Å; F87-F292 HydrophobicContact CE2-CD2 3.83Å; F87-F292 AromaticContact CZ-CD2 3.84Å; F87-F292 HydrophobicContact CZ-CD2 3.84Å; F87-F292 HydrophobicContact CZ-CE2 4.28Å
88I97.1Very high93.3Very high7 Ų768.7 Ų68.74%0.03635%0.351CS..Hα-helixtrans-62.8-36.9179.8-57.4-65.1000111.7S84 M86 L91 R92 D241 Y243 L322S84-I88 WeakPolarHBondContact O-CG1 3.39Å; S84-I88 PolarHBondContact O-N 3.49Å; M86-I88 PolarHBondContact O-N 3.45Å; I88-L91 PolarHBondContact O-N 3.03Å; I88-R92 WeakPolarHBondContact O-CB 3.44Å; I88-R92 VanDerWaalsContact O-CG 3.31Å; I88-R92 WeakPolarHBondContact O-CG 3.32Å; I88-R92 PolarHBondContact O-N 2.82Å; I88-D241 HydrophobicContact CG2-CB 4.03Å; I88-D241 WeakPolarHBondContact CG2-OD1 3.15Å; I88-Y243 VanDerWaalsContact CD1-CB 3.48Å; I88-Y243 HydrophobicContact CD1-CD2 4.4Å; I88-Y243 HydrophobicContact CD1-CG 4.01Å; I88-L322 HydrophobicContact CD1-CD1 4.04Å; I88-L322 HydrophobicContact CG2-CD1 3.93Å
89R96.2Very high94.5Very high138 Ų13860.5 Ų60.552%0.52132%0.316SS..Hα-helixtrans-68.8-38.3176.1-170.8-178.466.3-138.8-7.5112S85 M86 F87 N93S85-R89 PolarHBondContact O-N 3.06Å; M86-R89 VanDerWaalsContact CE-NH2 3.26Å; M86-R89 PolarHBondContact O-N 3.17Å; M86-R89 PolarHBondContact SD-NH2 3.23Å; F87-R89 VanDerWaalsContact C-N 3.3Å; F87-R89 PolarHBondContact O-N 3.01Å; R89-N93 VanDerWaalsContact O-CG 3.31Å; R89-N93 PolarHBondContact O-N 3.27Å; R89-N93 PolarHBondContact O-ND2 3.03Å
90E96.3Very high95.1Very high74 Ų7461.9 Ų61.935%0.34632%0.319SS..Hα-helixtrans-67.9-44.4173.9-72.6165.6-153.900110.9M86 F87 R92 N93 R94M86-E90 PolarHBondContact O-N 3.39Å; F87-E90 PolarHBondContact O-N 3.41Å; E90-R92 PolarHBondContact O-N 3.23Å; E90-N93 CarbonylContact O-C 3.56Å; E90-N93 PolarHBondContact O-N 2.88Å; E90-R94 WeakPolarHBondContact O-CG 3.4Å; E90-R94 PolarHBondContact O-N 3.43Å
91L97.2Very high95.3Very high1 Ų165.1 Ų65.11%0.00533%0.331CS..Hα-helixtrans-59.1-40.3176.6-178.160.7000113.7F87 I88 N93 F96 Y243 Y267 F292 L322F87-L91 HydrophobicContact CE1-CD2 3.84Å; F87-L91 HydrophobicContact CZ-CD2 4.29Å; F87-L91 VanDerWaalsContact O-CB 3.26Å; F87-L91 WeakPolarHBondContact O-CB 3.44Å; F87-L91 PolarHBondContact O-N 3.07Å; I88-L91 PolarHBondContact O-N 3.03Å; L91-N93 VanDerWaalsContact C-N 3.26Å; L91-N93 PolarHBondContact O-N 3.41Å; L91-F96 HydrophobicContact CD1-CE2 4.32Å; L91-F96 HydrophobicContact CD1-CZ 3.84Å; L91-Y243 HydrophobicContact CD2-CD2 3.55Å; L91-Y243 HydrophobicContact CD2-CE2 3.35Å; L91-Y267 HydrophobicContact CD1-CE1 4.04Å; L91-Y267 HydrophobicContact CD1-CE2 3.98Å; L91-Y267 HydrophobicContact CD2-CE2 4.03Å; L91-Y267 HydrophobicContact CG-CE2 4.2Å; L91-Y267 WeakPolarHBondContact CG-OH 3.34Å; L91-F292 HydrophobicContact CD1-CD2 4.5Å; L91-F292 HydrophobicContact CD1-CE2 3.56Å; L91-F292 HydrophobicContact CD1-CZ 3.72Å; L91-L322 HydrophobicContact CD2-CB 4.32Å; L91-L322 HydrophobicContact CD2-CD1 4.49Å; L91-L322 HydrophobicContact CD2-CD2 4.24Å; L91-L322 HydrophobicContact CG-CD2 4.38Å
92R95.8Very high95.6Very high83 Ų8360.4 Ų60.431%0.31331%0.313SS..Hα-helixtrans-64.4-29.8173.7-77174.6173.9-90.112.6112.8I88 E90 D241 L322 P324I88-R92 WeakPolarHBondContact O-CB 3.44Å; I88-R92 VanDerWaalsContact O-CG 3.31Å; I88-R92 WeakPolarHBondContact O-CG 3.32Å; I88-R92 PolarHBondContact O-N 2.82Å; E90-R92 PolarHBondContact O-N 3.23Å; R92-D241 IonicContact CZ-OD1 2.82Å; R92-D241 IonicContact NE-OD1 2.65Å; R92-D241 PolarHBondContact NE-OD1 3.45Å; R92-D241 IonicContact NH2-OD1 3.17Å; R92-D241 PolarHBondContact NH2-OD1 2.7Å; R92-D241 IonicContact NH2-OD2 2.67Å; R92-L322 HydrophobicContact CG-CD2 4Å; R92-P324 PolarHBondContact NH2-O 3.34Å
93N95.3Very high95.7Very high130 Ų13060.9 Ų60.970%0.69532%0.315SS*.Hα-helixtrans-95-14.5-177.1-68.3-6.7000114.1R89 E90 L91R89-N93 VanDerWaalsContact O-CG 3.31Å; R89-N93 PolarHBondContact O-N 3.27Å; R89-N93 PolarHBondContact O-ND2 3.03Å; E90-N93 CarbonylContact O-C 3.56Å; E90-N93 PolarHBondContact O-N 2.88Å; L91-N93 VanDerWaalsContact C-N 3.26Å; L91-N93 PolarHBondContact O-N 3.41Å
94R95.8Very high95.9Very high77 Ų7763.2 Ų63.229%0.29133%0.326SS..  trans-64.8140.8176.1-81.7167.1173.4-100.110111.6E90 F96 D295E90-R94 WeakPolarHBondContact O-CG 3.4Å; E90-R94 PolarHBondContact O-N 3.43Å; R94-F96 HydrophobicContact CB-CD2 4.24Å; R94-F96 HydrophobicContact CB-CE2 3.41Å; R94-F96 VanDerWaalsContact CB-CE2 3.41Å; R94-F96 HydrophobicContact CB-CZ 3.84Å; R94-F96 VanDerWaalsContact O-CD2 3.28Å; R94-F96 WeakPolarHBondContact O-CD2 3.37Å; R94-F96 WeakPolarHBondContact O-CE2 3.2Å; R94-D295 IonicContact CZ-OD1 3Å; R94-D295 IonicContact CZ-OD2 3.52Å; R94-D295 VanDerWaalsContact CZ-OD2 3.28Å; R94-D295 IonicContact NH1-OD1 3.82Å; R94-D295 PolarHBondContact NH1-OD1 3Å; R94-D295 IonicContact NH1-OD2 2.75Å; R94-D295 PolarHBondContact NH1-OD2 3.07Å; R94-D295 IonicContact NH2-OD1 2.68Å; R94-D295 IonicContact NH2-OD2 2.7Å; R94-D295 PolarHBondContact NH2-OD2 3.45Å
95T96.4Very high96.1Very high139 Ų13966.6 Ų66.685%0.85334%0.337SS*.  trans-85.7145170.749.30000110.8
96F97.3Very high96.2Very high47 Ų4762.2 Ų62.221%0.20631%0.306CS..  trans-144160.7-175.9-69.4-88.8000110L91 R94 Y267 F292 C300 K302L91-F96 HydrophobicContact CD1-CE2 4.32Å; L91-F96 HydrophobicContact CD1-CZ 3.84Å; R94-F96 HydrophobicContact CB-CD2 4.24Å; R94-F96 HydrophobicContact CB-CE2 3.41Å; R94-F96 VanDerWaalsContact CB-CE2 3.41Å; R94-F96 HydrophobicContact CB-CZ 3.84Å; R94-F96 VanDerWaalsContact O-CD2 3.28Å; R94-F96 WeakPolarHBondContact O-CD2 3.37Å; R94-F96 WeakPolarHBondContact O-CE2 3.2Å; F96-Y267 AromaticContact CD1-CD1 3.83Å; F96-Y267 HydrophobicContact CD1-CD1 3.83Å; F96-Y267 HydrophobicContact CD1-CE1 4.19Å; F96-Y267 HydrophobicContact CD2-CD1 4.3Å; F96-Y267 AromaticContact CD2-CE1 3.83Å; F96-Y267 HydrophobicContact CD2-CE1 3.83Å; F96-Y267 AromaticContact CE1-CD1 3.5Å; F96-Y267 HydrophobicContact CE1-CD1 3.5Å; F96-Y267 AromaticContact CE1-CE1 3.81Å; F96-Y267 HydrophobicContact CE1-CE1 3.81Å; F96-Y267 HydrophobicContact CE1-CG 4.49Å; F96-Y267 HydrophobicContact CE2-CD1 4Å; F96-Y267 AromaticContact CE2-CE1 3.4Å; F96-Y267 HydrophobicContact CE2-CE1 3.4Å; F96-Y267 HydrophobicContact CG-CD1 4.22Å; F96-Y267 HydrophobicContact CG-CE1 4.21Å; F96-Y267 AromaticContact CZ-CD1 3.6Å; F96-Y267 HydrophobicContact CZ-CD1 3.6Å; F96-Y267 AromaticContact CZ-CE1 3.39Å; F96-Y267 HydrophobicContact CZ-CE1 3.39Å; F96-F292 AromaticContact CE1-CE1 3.76Å; F96-F292 HydrophobicContact CE1-CE1 3.76Å; F96-F292 AromaticContact CE1-CZ 3.73Å; F96-F292 HydrophobicContact CE1-CZ 3.73Å; F96-F292 AromaticContact CZ-CE1 3.93Å; F96-F292 HydrophobicContact CZ-CE1 3.93Å; F96-F292 AromaticContact CZ-CZ 3.7Å; F96-F292 HydrophobicContact CZ-CZ 3.7Å; F96-C300 HydrophobicContact CD1-CB 4.27Å; F96-K302 HydrophobicContact CB-CB 3.59Å; F96-K302 HydrophobicContact CB-CD 4.33Å; F96-K302 HydrophobicContact CD2-CB 4.41Å; F96-K302 HydrophobicContact CD2-CD 3.96Å; F96-K302 HydrophobicContact CG-CB 4.05Å; F96-K302 HydrophobicContact CG-CD 4.41Å
97D96.8Very high96.4Very high42 Ų4262.1 Ų62.123%0.22531%0.31CS..EExtended strand (participates in β ladder)trans-61.1147.7166.7-57.3-82.4000110.4K299 C300 Y301 K302D97-K299 IonicContact OD1-NZ 3.36Å; D97-K299 PolarHBondContact OD1-NZ 2.83Å; D97-K299 VanDerWaalsContact OD2-CA 3.29Å; D97-K299 WeakPolarHBondContact OD2-CA 3.26Å; D97-K299 WeakPolarHBondContact OD2-CB 3.43Å; D97-K299 WeakPolarHBondContact OD2-CG 3.31Å; D97-C300 PolarHBondContact N-O 3.39Å; D97-C300 PolarHBondContact OD2-N 3.08Å; D97-Y301 HydrophobicContact CB-CD1 3.6Å; D97-Y301 HydrophobicContact CB-CE1 4.04Å; D97-Y301 HydrophobicContact CB-CG 4.28Å; D97-Y301 WeakPolarHBondContact O-CA 3.38Å; D97-K302 PolarHBondContact O-N 3.12Å
98S96.7Very high96.4Very high58 Ų5861.8 Ų61.841%0.40631%0.311SS..EExtended strand (participates in β ladder)trans-77.2131.1173.2-173.90000110D100 E101S98-D100 PolarHBondContact O-N 3.44Å; S98-D100 VanDerWaalsContact O-N 3.09Å; S98-D100 PolarHBondContact OG-N 3.13Å; S98-E101 PolarHBondContact O-N 3.21Å; S98-E101 VanDerWaalsContact O-N 3.16Å
99S96.4Very high96.4Very high6 Ų665.7 Ų65.74%0.04234%0.338CS..G310 helixtrans-57.4-23.5171.858.80000113.3E101 V102 I103 K302 C303S99-E101 PolarHBondContact O-N 3.05Å; S99-E101 VanDerWaalsContact O-N 3.11Å; S99-V102 WeakPolarHBondContact O-CG2 3.29Å; S99-V102 PolarHBondContact O-N 3.35Å; S99-I103 WeakPolarHBondContact O-CG1 3.22Å; S99-I103 WeakPolarHBondContact O-CG2 3.42Å; S99-I103 PolarHBondContact O-N 3.02Å; S99-K302 WeakPolarHBondContact CB-O 3.25Å; S99-K302 PolarHBondContact N-O 3.11Å; S99-K302 PolarHBondContact OG-O 2.99Å; S99-C303 WeakPolarHBondContact OG-CA 3.38Å
100D95.4Very high96.4Very high98 Ų9864.3 Ų64.352%0.52434%0.338SS..G310 helixtrans-63.4-13.9178.9-69.3-1.4000113.7S98 V102 K105S98-D100 PolarHBondContact O-N 3.44Å; S98-D100 VanDerWaalsContact O-N 3.09Å; S98-D100 PolarHBondContact OG-N 3.13Å; D100-V102 VanDerWaalsContact C-N 3.29Å; D100-K105 VanDerWaalsContact OD1-CE 3.31Å; D100-K105 WeakPolarHBondContact OD1-CE 3.39Å; D100-K105 IonicContact OD1-NZ 2.88Å; D100-K105 PolarHBondContact OD1-NZ 3.3Å; D100-K105 IonicContact OD2-NZ 3.95Å; D100-K105 PolarHBondContact OD2-NZ 2.89Å
101E95.1Very high96.4Very high116 Ų11661.3 Ų61.354%0.54232%0.324SS..G310 helixtrans-70.9-21169.6-66.8178.2-154.900113.6S98 S99 K299 Y301S98-E101 PolarHBondContact O-N 3.21Å; S98-E101 VanDerWaalsContact O-N 3.16Å; S99-E101 PolarHBondContact O-N 3.05Å; S99-E101 VanDerWaalsContact O-N 3.11Å; E101-K299 IonicContact OE1-NZ 2.73Å; E101-K299 IonicContact OE2-NZ 2.73Å; E101-K299 PolarHBondContact OE2-NZ 3.15Å; E101-Y301 HydrophobicContact CB-CE1 4.29Å
102V95.5Very high96.4Very high21 Ų2163.7 Ų63.713%0.12734%0.339CS..THydrogen-bonded Turntrans-136.1-21.6-168.3-66.50000115.9S99 D100 V123 Y301S99-V102 WeakPolarHBondContact O-CG2 3.29Å; S99-V102 PolarHBondContact O-N 3.35Å; D100-V102 VanDerWaalsContact C-N 3.29Å; V102-V123 WeakPolarHBondContact O-CB 3.45Å; V102-V123 WeakPolarHBondContact O-CG2 3.23Å; V102-Y301 HydrophobicContact CB-CE1 4.4Å; V102-Y301 HydrophobicContact CG1-CD1 4.32Å; V102-Y301 HydrophobicContact CG1-CE1 3.59Å; V102-Y301 HydrophobicContact CG1-CE2 4.23Å; V102-Y301 HydrophobicContact CG2-CD1 3.74Å; V102-Y301 HydrophobicContact CG2-CD2 4.07Å; V102-Y301 HydrophobicContact CG2-CE1 3.87Å; V102-Y301 HydrophobicContact CG2-CE2 4.22Å; V102-Y301 HydrophobicContact CG2-CG 3.84Å
103I96.4Very high96.4Very high14 Ų1461 Ų617%0.07233%0.331CS..  trans-84.4138-176.869.5-175.5000112.4S99 K105 P124 L126S99-I103 WeakPolarHBondContact O-CG1 3.22Å; S99-I103 WeakPolarHBondContact O-CG2 3.42Å; S99-I103 PolarHBondContact O-N 3.02Å; I103-K105 HydrophobicContact CG1-CG 4.38Å; I103-P124 VanDerWaalsContact CA-O 3.25Å; I103-P124 WeakPolarHBondContact CA-O 3.22Å; I103-P124 WeakPolarHBondContact CB-O 3.49Å; I103-P124 HydrophobicContact CG2-CB 4.01Å; I103-L126 HydrophobicContact CD1-CB 3.91Å; I103-L126 HydrophobicContact CD1-CD2 3.93Å
104L96.9Very high96.3Very high52 Ų5259.5 Ų59.527%0.27232%0.32SS..BIsolated β-bridgetrans-84.4142.1172.8-57.1176.8000109.8P106 F115 N119 V123 P124 I125 L126L104-P106 WeakPolarHBondContact O-CD 3.34Å; L104-F115 HydrophobicContact CD1-CE1 4.39Å; L104-F115 HydrophobicContact CD1-CZ 3.97Å; L104-N119 HydrophobicContact CD1-CB 4.45Å; L104-V123 HydrophobicContact CD1-CG2 3.92Å; L104-V123 HydrophobicContact CG-CG2 3.79Å; L104-P124 PolarHBondContact N-O 3.23Å; L104-P124 VanDerWaalsContact N-O 3.08Å; L104-I125 HydrophobicContact CB-CG1 4.34Å; L104-I125 HydrophobicContact CB-CG2 4.47Å; L104-I125 CarbonylContact O-C 3.58Å; L104-I125 WeakPolarHBondContact O-CA 3.46Å; L104-L126 PolarHBondContact O-N 3.21Å
105K97.1Very high96.3Very high98 Ų9858.1 Ų58.143%0.42632%0.316SS..  trans-12458.5-178.6-60-176.7-176.3178.40112.9D100 I103 L126D100-K105 VanDerWaalsContact OD1-CE 3.31Å; D100-K105 WeakPolarHBondContact OD1-CE 3.39Å; D100-K105 IonicContact OD1-NZ 2.88Å; D100-K105 PolarHBondContact OD1-NZ 3.3Å; D100-K105 IonicContact OD2-NZ 3.95Å; D100-K105 PolarHBondContact OD2-NZ 2.89Å; I103-K105 HydrophobicContact CG1-CG 4.38Å; K105-L126 WeakPolarHBondContact CA-O 3.49Å
106P97.1Very high96.2Very high12 Ų1251.7 Ų51.78%0.07828%0.277CS..  trans-68.3158.9174.232.5-35.1000111.1L104 Q110 L111 F115 I125 V127L104-P106 WeakPolarHBondContact O-CD 3.34Å; P106-Q110 HydrophobicContact CB-CB 3.9Å; P106-L111 HydrophobicContact CG-CB 4.49Å; P106-F115 HydrophobicContact CB-CE1 4.46Å; P106-F115 HydrophobicContact CB-CZ 4.21Å; P106-F115 HydrophobicContact CG-CE1 4.11Å; P106-F115 HydrophobicContact CG-CZ 4.16Å; P106-I125 VanDerWaalsContact CD-CG2 3.41Å; P106-I125 HydrophobicContact CG-CG2 3.51Å; P106-V127 HydrophobicContact CG-CG2 4.35Å
107T97.5Very high95.9Very high79 Ų7952.7 Ų52.749%0.48528%0.282SS..  trans-71.5160.1160.362.10000110.4S109 Q110 L111T107-S109 PolarHBondContact O-N 3.39Å; T107-Q110 WeakPolarHBondContact O-CB 3.48Å; T107-Q110 PolarHBondContact O-N 3.04Å; T107-Q110 VanDerWaalsContact OG1-CD 3.31Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.5Å; T107-Q110 PolarHBondContact OG1-OE1 3.4Å; T107-L111 PolarHBondContact O-N 3.39Å
108G96.6Very high95.4Very high6 Ų658.4 Ų58.46%0.06231%0.307CS..G310 helixtrans-59.4-34.5-178.800000113.4Q110 L111 D131G108-Q110 VanDerWaalsContact C-N 3.28Å; G108-Q110 PolarHBondContact O-N 3.37Å; G108-L111 PolarHBondContact O-N 2.89Å; G108-D131 VanDerWaalsContact CA-O 3.31Å; G108-D131 WeakPolarHBondContact CA-O 3.48Å; G108-D131 PolarHBondContact N-O 3.49Å
109S96.8Very high94.6Very high88 Ų8858.5 Ų58.562%0.61530%0.304SS*.G310 helixtrans-70.3-19.5175.7-51.20000114.3T107T107-S109 PolarHBondContact O-N 3.39Å
110Q96.6Very high93.7Very high109 Ų10960.9 Ų60.951%0.50932%0.32SS..G310 helixtrans-89.4-13.8174.9-72.6166.8-5300112.6P106 T107 G108 T112 F115P106-Q110 HydrophobicContact CB-CB 3.9Å; T107-Q110 WeakPolarHBondContact O-CB 3.48Å; T107-Q110 PolarHBondContact O-N 3.04Å; T107-Q110 VanDerWaalsContact OG1-CD 3.31Å; T107-Q110 WeakPolarHBondContact OG1-CG 3.5Å; T107-Q110 PolarHBondContact OG1-OE1 3.4Å; G108-Q110 VanDerWaalsContact C-N 3.28Å; G108-Q110 PolarHBondContact O-N 3.37Å; Q110-T112 PolarHBondContact O-N 3.19Å; Q110-F115 WeakPolarHBondContact O-CB 3.29Å
111L96.7Very high93.6Very high11 Ų1156.5 Ų56.56%0.05830%0.297CS..  trans-82.370.4179.3-17355.4000110.6P106 T107 G108 F115 L116 I125 V127 L133 I209 F312P106-L111 HydrophobicContact CG-CB 4.49Å; T107-L111 PolarHBondContact O-N 3.39Å; G108-L111 PolarHBondContact O-N 2.89Å; L111-F115 HydrophobicContact CD1-CD1 3.95Å; L111-F115 HydrophobicContact CD1-CE1 4.1Å; L111-L116 HydrophobicContact CD1-CD1 4.2Å; L111-L116 HydrophobicContact CD1-CD2 3.83Å; L111-L116 HydrophobicContact CD1-CG 4.1Å; L111-I125 HydrophobicContact CD1-CD1 3.91Å; L111-I125 HydrophobicContact CD1-CG2 4.38Å; L111-V127 HydrophobicContact CD2-CG2 3.94Å; L111-L133 HydrophobicContact CB-CD2 4.36Å; L111-L133 HydrophobicContact CD2-CD2 3.81Å; L111-I209 HydrophobicContact CD2-CG2 4.03Å; L111-I209 HydrophobicContact CG-CB 4.46Å; L111-I209 HydrophobicContact CG-CG1 4.33Å; L111-I209 HydrophobicContact CG-CG2 4.13Å; L111-F312 HydrophobicContact CD2-CD2 3.8Å; L111-F312 HydrophobicContact CD2-CE1 4.42Å; L111-F312 HydrophobicContact CD2-CE2 3.46Å; L111-F312 VanDerWaalsContact CD2-CE2 3.46Å; L111-F312 HydrophobicContact CD2-CG 4.43Å; L111-F312 HydrophobicContact CD2-CZ 3.8Å
112T96.4Very high93.6Very high51 Ų5153.9 Ų53.931%0.31329%0.291SS..  trans-97.9177.3179.981.50000111.8Q110 E114 F115 L116Q110-T112 PolarHBondContact O-N 3.19Å; T112-E114 WeakPolarHBondContact CB-OE2 3.36Å; T112-E114 PolarHBondContact OG1-N 3.08Å; T112-E114 PolarHBondContact OG1-OE2 2.7Å; T112-F115 PolarHBondContact OG1-N 2.73Å; T112-L116 WeakPolarHBondContact O-CG 3.34Å; T112-L116 PolarHBondContact O-N 3.27Å
113V95.2Very high93.7Very high26 Ų2653.7 Ų53.716%0.15829%0.29CS..Hα-helixtrans-70.1-41.5177.3171.70000109.9F115 L116 E117 I209 K212 L213V113-F115 PolarHBondContact O-N 3.22Å; V113-L116 CarbonylContact O-C 3.52Å; V113-L116 WeakPolarHBondContact O-CA 3.46Å; V113-L116 WeakPolarHBondContact O-CB 3.49Å; V113-L116 PolarHBondContact O-N 3.4Å; V113-E117 HydrophobicContact CG1-CG 4.23Å; V113-E117 PolarHBondContact O-N 3.31Å; V113-I209 HydrophobicContact CB-CD1 4.46Å; V113-I209 HydrophobicContact CG2-CD1 3.68Å; V113-K212 HydrophobicContact CG2-CB 4.07Å; V113-K212 HydrophobicContact CG2-CD 3.64Å; V113-L213 HydrophobicContact CG1-CD2 4.34Å; V113-L213 HydrophobicContact CG2-CD2 4.22Å
114E94Very high93.8Very high99 Ų9953 Ų5346%0.46329%0.286SS..Hα-helixtrans-61.9-43.9-177.4-53.372.2-157.800110.3T112 L116 E117 E118T112-E114 WeakPolarHBondContact CB-OE2 3.36Å; T112-E114 PolarHBondContact OG1-N 3.08Å; T112-E114 PolarHBondContact OG1-OE2 2.7Å; E114-L116 VanDerWaalsContact C-N 3.26Å; E114-L116 PolarHBondContact O-N 2.64Å; E114-E117 PolarHBondContact O-N 3.49Å; E114-E118 PolarHBondContact O-N 2.97Å
115F95.1Very high93.9Very high48 Ų4850.6 Ų50.621%0.21127%0.274CS..Hα-helixtrans-57.8-36.6171.5173.9-97.3000112.9L104 P106 Q110 L111 T112 V113 N119 I125L104-F115 HydrophobicContact CD1-CE1 4.39Å; L104-F115 HydrophobicContact CD1-CZ 3.97Å; P106-F115 HydrophobicContact CB-CE1 4.46Å; P106-F115 HydrophobicContact CB-CZ 4.21Å; P106-F115 HydrophobicContact CG-CE1 4.11Å; P106-F115 HydrophobicContact CG-CZ 4.16Å; Q110-F115 WeakPolarHBondContact O-CB 3.29Å; L111-F115 HydrophobicContact CD1-CD1 3.95Å; L111-F115 HydrophobicContact CD1-CE1 4.1Å; T112-F115 PolarHBondContact OG1-N 2.73Å; V113-F115 PolarHBondContact O-N 3.22Å; F115-N119 PolarHBondContact O-N 3.34Å; F115-N119 PolarHBondContact O-ND2 2.62Å; F115-I125 HydrophobicContact CE1-CD1 4.25Å
116L95.2Very high93.9Very high4 Ų446.3 Ų46.32%0.02126%0.255CS..Hα-helixtrans-81-28.7178.2-66.5-176.8000113.2L111 T112 V113 E114 S120 F121 I125 I209 L213 L338L111-L116 HydrophobicContact CD1-CD1 4.2Å; L111-L116 HydrophobicContact CD1-CD2 3.83Å; L111-L116 HydrophobicContact CD1-CG 4.1Å; T112-L116 WeakPolarHBondContact O-CG 3.34Å; T112-L116 PolarHBondContact O-N 3.27Å; V113-L116 CarbonylContact O-C 3.52Å; V113-L116 WeakPolarHBondContact O-CA 3.46Å; V113-L116 WeakPolarHBondContact O-CB 3.49Å; V113-L116 PolarHBondContact O-N 3.4Å; E114-L116 VanDerWaalsContact C-N 3.26Å; E114-L116 PolarHBondContact O-N 2.64Å; L116-S120 CarbonylContact O-C 3.33Å; L116-S120 WeakPolarHBondContact O-CA 3.21Å; L116-S120 PolarHBondContact O-N 3.45Å; L116-F121 HydrophobicContact CB-CB 4.28Å; L116-F121 HydrophobicContact CD1-CD1 4.45Å; L116-F121 HydrophobicContact CD1-CG 4.41Å; L116-F121 HydrophobicContact CD2-CB 3.97Å; L116-F121 HydrophobicContact CD2-CD2 3.93Å; L116-F121 HydrophobicContact CD2-CG 3.97Å; L116-F121 PolarHBondContact O-N 2.96Å; L116-I125 HydrophobicContact CD2-CD1 3.41Å; L116-I125 VanDerWaalsContact CD2-CD1 3.41Å; L116-I209 HydrophobicContact CD1-CD1 3.95Å; L116-I209 HydrophobicContact CD1-CG1 3.63Å; L116-L213 HydrophobicContact CD1-CD1 3.75Å; L116-L338 HydrophobicContact CB-CD1 3.85Å
117E90.7Very high94Very high68 Ų6845.8 Ų45.832%0.31825%0.252SS..Hα-helixtrans-65.6-46.5170.6-71.7-172.8109.300111.2V113 E114 N119 S120 L338 Y392V113-E117 HydrophobicContact CG1-CG 4.23Å; V113-E117 PolarHBondContact O-N 3.31Å; E114-E117 PolarHBondContact O-N 3.49Å; E117-N119 VanDerWaalsContact C-N 3.28Å; E117-N119 PolarHBondContact O-N 3.45Å; E117-S120 PolarHBondContact O-N 3.03Å; E117-L338 HydrophobicContact CG-CD2 4.17Å; E117-Y392 HydrophobicContact CB-CE1 4.24Å; E117-Y392 HydrophobicContact CG-CE1 3.79Å; E117-Y392 WeakPolarHBondContact OE1-CE1 3.28Å; E117-Y392 PolarHBondContact OE1-OH 3.12Å
118E87.1Confident94Very high162 Ų16246.8 Ų46.876%0.75725%0.252SS*.Hα-helixtrans-58.6-39.4177.7-73.3-175.6166.400112.3E114E114-E118 PolarHBondContact O-N 2.97Å
119N79.1Confident94Very high61 Ų6153.1 Ų53.133%0.32628%0.278SS..THydrogen-bonded Turntrans-100.55.6-175.7-64.6-83.2000113.6L104 F115 E117 F121 S122L104-N119 HydrophobicContact CD1-CB 4.45Å; F115-N119 PolarHBondContact O-N 3.34Å; F115-N119 PolarHBondContact O-ND2 2.62Å; E117-N119 VanDerWaalsContact C-N 3.28Å; E117-N119 PolarHBondContact O-N 3.45Å; N119-F121 PolarHBondContact O-N 3.23Å; N119-S122 PolarHBondContact O-N 3.32Å; N119-S122 PolarHBondContact O-OG 3.46Å
120S76.5Confident94Very high55 Ų5552.6 Ų52.639%0.38527%0.265SS..THydrogen-bonded Turntrans48.425-174-51.70000115.3L116 E117 S122L116-S120 CarbonylContact O-C 3.33Å; L116-S120 WeakPolarHBondContact O-CA 3.21Å; L116-S120 PolarHBondContact O-N 3.45Å; E117-S120 PolarHBondContact O-N 3.03Å; S120-S122 PolarHBondContact O-N 3Å; S120-S122 VanDerWaalsContact O-N 3.12Å
121F94.9Very high94Very high7 Ų752.2 Ų52.23%0.03127%0.266CS..THydrogen-bonded Turntrans3452.1-166-171.8-159.7000113L116 N119 I125 F312 P314 F334 H336 L338L116-F121 HydrophobicContact CB-CB 4.28Å; L116-F121 HydrophobicContact CD1-CD1 4.45Å; L116-F121 HydrophobicContact CD1-CG 4.41Å; L116-F121 HydrophobicContact CD2-CB 3.97Å; L116-F121 HydrophobicContact CD2-CD2 3.93Å; L116-F121 HydrophobicContact CD2-CG 3.97Å; L116-F121 PolarHBondContact O-N 2.96Å; N119-F121 PolarHBondContact O-N 3.23Å; F121-I125 HydrophobicContact CD2-CD1 3.64Å; F121-I125 HydrophobicContact CD2-CG1 4.23Å; F121-I125 HydrophobicContact CE2-CD1 3.66Å; F121-I125 HydrophobicContact CE2-CG1 3.97Å; F121-F312 HydrophobicContact CE2-CB 4.27Å; F121-F312 HydrophobicContact CZ-CB 3.97Å; F121-P314 HydrophobicContact CD1-CB 4.04Å; F121-P314 HydrophobicContact CD2-CB 3.73Å; F121-P314 HydrophobicContact CD2-CG 4.08Å; F121-P314 HydrophobicContact CE1-CB 3.93Å; F121-P314 HydrophobicContact CE2-CB 3.62Å; F121-P314 HydrophobicContact CE2-CG 3.87Å; F121-P314 HydrophobicContact CG-CB 3.92Å; F121-P314 HydrophobicContact CZ-CB 3.71Å; F121-P314 HydrophobicContact CZ-CG 4.33Å; F121-P314 WeakPolarHBondContact O-CB 3.48Å; F121-P314 WeakPolarHBondContact O-CG 3.17Å; F121-F334 HydrophobicContact CE1-CZ 4.18Å; F121-H336 AromaticContact CD1-NE2 3.32Å; F121-H336 VanDerWaalsContact CD1-NE2 3.32Å; F121-H336 WeakPolarHBondContact CD1-NE2 3.46Å; F121-H336 AromaticContact CE1-NE2 3.65Å; F121-L338 HydrophobicContact CB-CD1 3.71Å; F121-L338 HydrophobicContact CD1-CD1 4.42Å
122S94.5Very high94Very high60 Ų6053.9 Ų53.942%0.4229%0.286SS..  trans-93.3-9.7-16656.60000115.6N119 S120 W317N119-S122 PolarHBondContact O-N 3.32Å; N119-S122 PolarHBondContact O-OG 3.46Å; S120-S122 PolarHBondContact O-N 3Å; S120-S122 VanDerWaalsContact O-N 3.12Å; S122-W317 PolarHBondContact O-NE1 3.08Å; S122-W317 VanDerWaalsContact O-NE1 3.13Å
123V97.1Very high94.1Very high17 Ų1751.7 Ų51.710%0.10327%0.273CS..SBendtrans-136.5154.7-179.4-66.10000111V102 L104 W317V102-V123 WeakPolarHBondContact O-CB 3.45Å; V102-V123 WeakPolarHBondContact O-CG2 3.23Å; L104-V123 HydrophobicContact CD1-CG2 3.92Å; L104-V123 HydrophobicContact CG-CG2 3.79Å; V123-W317 HydrophobicContact CB-CZ2 4.37Å; V123-W317 HydrophobicContact CG1-CZ2 4.13Å
124P98.4Very high94.2Very high0 Ų052.3 Ų52.30%028%0.284CS..  trans-63.3150.8179.6-20.232.6000113I103 L104 L268 L311 F312 W317I103-P124 VanDerWaalsContact CA-O 3.25Å; I103-P124 WeakPolarHBondContact CA-O 3.22Å; I103-P124 WeakPolarHBondContact CB-O 3.49Å; I103-P124 HydrophobicContact CG2-CB 4.01Å; L104-P124 PolarHBondContact N-O 3.23Å; L104-P124 VanDerWaalsContact N-O 3.08Å; P124-L268 HydrophobicContact CB-CD1 4.4Å; P124-L268 HydrophobicContact CG-CD1 4.18Å; P124-L311 HydrophobicContact CB-CD1 4.18Å; P124-F312 VanDerWaalsContact CA-O 3.29Å; P124-F312 WeakPolarHBondContact CA-O 3.36Å; P124-W317 HydrophobicContact CG-CD2 4Å; P124-W317 HydrophobicContact CG-CE3 3.86Å; P124-W317 HydrophobicContact CG-CH2 4.26Å; P124-W317 HydrophobicContact CG-CZ2 4.4Å; P124-W317 HydrophobicContact CG-CZ3 3.99Å
125I98.6Very high94.3Very high2 Ų248.6 Ų48.61%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-126.5120-172.8-53.1178.9000108.9L104 P106 L111 F115 L116 F121 V127 L311 F312L104-I125 HydrophobicContact CB-CG1 4.34Å; L104-I125 HydrophobicContact CB-CG2 4.47Å; L104-I125 CarbonylContact O-C 3.58Å; L104-I125 WeakPolarHBondContact O-CA 3.46Å; P106-I125 VanDerWaalsContact CD-CG2 3.41Å; P106-I125 HydrophobicContact CG-CG2 3.51Å; L111-I125 HydrophobicContact CD1-CD1 3.91Å; L111-I125 HydrophobicContact CD1-CG2 4.38Å; F115-I125 HydrophobicContact CE1-CD1 4.25Å; L116-I125 HydrophobicContact CD2-CD1 3.41Å; L116-I125 VanDerWaalsContact CD2-CD1 3.41Å; F121-I125 HydrophobicContact CD2-CD1 3.64Å; F121-I125 HydrophobicContact CD2-CG1 4.23Å; F121-I125 HydrophobicContact CE2-CD1 3.66Å; F121-I125 HydrophobicContact CE2-CG1 3.97Å; I125-V127 HydrophobicContact CG2-CG2 4.17Å; I125-L311 CarbonylContact O-C 3.42Å; I125-L311 WeakPolarHBondContact O-CA 3.32Å; I125-F312 HydrophobicContact CB-CB 4.28Å; I125-F312 PolarHBondContact N-O 2.72Å; I125-F312 PolarHBondContact O-N 3.36Å
126L98.6Very high94.5Very high7 Ų750.1 Ų50.14%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-109.1105.9179.7-179.164.4000110.4I103 L104 K105 M128 V305 Q309 L311I103-L126 HydrophobicContact CD1-CB 3.91Å; I103-L126 HydrophobicContact CD1-CD2 3.93Å; L104-L126 PolarHBondContact O-N 3.21Å; K105-L126 WeakPolarHBondContact CA-O 3.49Å; L126-M128 HydrophobicContact CD2-SD 4.27Å; L126-M128 HydrophobicContact CG-SD 4.36Å; L126-V305 HydrophobicContact CD1-CG1 4.31Å; L126-V305 HydrophobicContact CD1-CG2 4.26Å; L126-Q309 HydrophobicContact CD1-CB 4.18Å; L126-L311 HydrophobicContact CB-CD1 4.37Å; L126-L311 HydrophobicContact CD1-CB 4.33Å; L126-L311 HydrophobicContact CD1-CD1 4.47Å
127V98.6Very high94.6Very high1 Ų150.7 Ų50.71%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-93.7115.3178.3-170.70000109P106 L111 I125 K129 L133 T310 F312P106-V127 HydrophobicContact CG-CG2 4.35Å; L111-V127 HydrophobicContact CD2-CG2 3.94Å; I125-V127 HydrophobicContact CG2-CG2 4.17Å; V127-K129 VanDerWaalsContact C-N 3.27Å; V127-K129 VanDerWaalsContact CG1-O 3.29Å; V127-K129 WeakPolarHBondContact CG1-O 3.31Å; V127-K129 PolarHBondContact O-N 3.11Å; V127-L133 HydrophobicContact CB-CD1 4.27Å; V127-L133 HydrophobicContact CG1-CD1 4.11Å; V127-L133 HydrophobicContact CG1-CD2 4.18Å; V127-L133 HydrophobicContact CG1-CG 4.2Å; V127-L133 HydrophobicContact CG2-CD2 4.25Å; V127-T310 PolarHBondContact N-O 2.92Å; V127-T310 PolarHBondContact O-N 2.78Å; V127-F312 HydrophobicContact CG2-CD2 4.22Å; V127-F312 HydrophobicContact CG2-CE2 3.9Å
128M97.9Very high94.9Very high100 Ų10048 Ų4849%0.49327%0.272SS..SBendtrans-71.1-15.6-167.1-62.9-68-72.900114.9L126 Q309L126-M128 HydrophobicContact CD2-SD 4.27Å; L126-M128 HydrophobicContact CG-SD 4.36Å; M128-Q309 PolarHBondContact SD-NE2 2.94Å
129K96.2Very high95.3Very high140 Ų14043.4 Ų43.461%0.60926%0.258SS*.SBendtrans-146.4153.1176.6-63-173-180-1770109.3V127 D131V127-K129 VanDerWaalsContact C-N 3.27Å; V127-K129 VanDerWaalsContact CG1-O 3.29Å; V127-K129 WeakPolarHBondContact CG1-O 3.31Å; V127-K129 PolarHBondContact O-N 3.11Å; K129-D131 VanDerWaalsContact CD-OD2 3.26Å; K129-D131 WeakPolarHBondContact CD-OD2 3.41Å; K129-D131 PolarHBondContact O-N 3.36Å
130K96.1Very high96.1Very high77 Ų7744 Ų4434%0.33527%0.265SS..SBendtrans-71.2-12.217664.7177.5-177.1177.80115.1G132 L133 M135K130-G132 PolarHBondContact O-N 3.41Å; K130-L133 WeakPolarHBondContact O-CB 3.13Å; K130-L133 PolarHBondContact O-N 3.31Å; K130-L133 VanDerWaalsContact O-N 3.11Å; K130-M135 HydrophobicContact CB-CG 4.08Å; K130-M135 HydrophobicContact CB-SD 3.53Å; K130-M135 VanDerWaalsContact CB-SD 3.53Å; K130-M135 HydrophobicContact CD-SD 4.28Å
131D97.3Very high97.1Very high100 Ų10045.5 Ų45.554%0.53528%0.275SS..THydrogen-bonded Turntrans-59.6127.3-175.2-48.6-38.8000111.4G108 K129 L133G108-D131 VanDerWaalsContact CA-O 3.31Å; G108-D131 WeakPolarHBondContact CA-O 3.48Å; G108-D131 PolarHBondContact N-O 3.49Å; K129-D131 VanDerWaalsContact CD-OD2 3.26Å; K129-D131 WeakPolarHBondContact CD-OD2 3.41Å; K129-D131 PolarHBondContact O-N 3.36Å; D131-L133 VanDerWaalsContact C-N 3.33Å; D131-L133 PolarHBondContact O-N 2.98Å
132G96.6Very high97.2Very high47 Ų4745.9 Ų45.949%0.48528%0.277SS..THydrogen-bonded Turntrans86-17.6-176.800000115.8K130 G134K130-G132 PolarHBondContact O-N 3.41Å; G132-G134 PolarHBondContact O-N 2.87Å
133L97.8Very high97.4Very high5 Ų544.8 Ų44.83%0.02627%0.268CS..SBendtrans-68.9-15.6-179.5-70.9179.8000114.5L111 V127 K130 D131 M135 K208 T310 F312L111-L133 HydrophobicContact CB-CD2 4.36Å; L111-L133 HydrophobicContact CD2-CD2 3.81Å; V127-L133 HydrophobicContact CB-CD1 4.27Å; V127-L133 HydrophobicContact CG1-CD1 4.11Å; V127-L133 HydrophobicContact CG1-CD2 4.18Å; V127-L133 HydrophobicContact CG1-CG 4.2Å; V127-L133 HydrophobicContact CG2-CD2 4.25Å; K130-L133 WeakPolarHBondContact O-CB 3.13Å; K130-L133 PolarHBondContact O-N 3.31Å; K130-L133 VanDerWaalsContact O-N 3.11Å; D131-L133 VanDerWaalsContact C-N 3.33Å; D131-L133 PolarHBondContact O-N 2.98Å; L133-M135 HydrophobicContact CB-CG 4.14Å; L133-M135 HydrophobicContact CD1-CE 3.86Å; L133-M135 PolarHBondContact O-N 3.1Å; L133-K208 WeakPolarHBondContact O-CB 3.23Å; L133-K208 PolarHBondContact O-N 3.32Å; L133-T310 HydrophobicContact CD1-CG2 4.14Å; L133-T310 WeakPolarHBondContact CD1-OG1 3.23Å; L133-F312 HydrophobicContact CD1-CE2 4.28Å; L133-F312 HydrophobicContact CD1-CZ 4.3Å; L133-F312 HydrophobicContact CD2-CE2 4.12Å; L133-F312 HydrophobicContact CD2-CZ 4.07Å
134G97.5Very high97.4Very high39 Ų3944 Ų4440%0.40226%0.263SS..  trans60.731.4-176.200000113.6G132 R211G132-G134 PolarHBondContact O-N 2.87Å; G134-R211 PolarHBondContact O-NH2 2.84Å
135M97.3Very high97.4Very high20 Ų2051.2 Ų51.210%0.09929%0.29CS..  trans-90.5148168.255.61635700110.6K130 L133 L137 E205 P207 W256 H258 T310K130-M135 HydrophobicContact CB-CG 4.08Å; K130-M135 HydrophobicContact CB-SD 3.53Å; K130-M135 VanDerWaalsContact CB-SD 3.53Å; K130-M135 HydrophobicContact CD-SD 4.28Å; L133-M135 HydrophobicContact CB-CG 4.14Å; L133-M135 HydrophobicContact CD1-CE 3.86Å; L133-M135 PolarHBondContact O-N 3.1Å; M135-L137 HydrophobicContact CE-CD1 4.48Å; M135-L137 HydrophobicContact SD-CD1 3.6Å; M135-L137 VanDerWaalsContact SD-CD1 3.6Å; M135-L137 HydrophobicContact SD-CG 4.17Å; M135-E205 CarbonylContact C-O 3.55Å; M135-E205 VanDerWaalsContact CA-O 3.29Å; M135-E205 WeakPolarHBondContact CA-O 3.44Å; M135-E205 WeakPolarHBondContact CB-O 3.44Å; M135-P207 HydrophobicContact CB-CG 4.43Å; M135-P207 HydrophobicContact CE-CG 3.83Å; M135-W256 HydrophobicContact CE-CE3 4.45Å; M135-W256 HydrophobicContact CE-CZ3 4.45Å; M135-H258 HydrophobicContact CE-CB 4.27Å; M135-T310 HydrophobicContact CE-CG2 3.77Å
136T97.9Very high97.4Very high81 Ų8153.7 Ų53.750%0.49730%0.304SS..BIsolated β-bridgetrans-109.7136.4163.2-54.40000107.7V204 E205T136-V204 WeakPolarHBondContact O-CA 3.46Å; T136-E205 PolarHBondContact N-O 3.4Å; T136-E205 PolarHBondContact O-N 3.23Å
137L97.8Very high97.4Very high15 Ų1553.4 Ų53.48%0.07930%0.302CS..  trans-145.3152.8176.4-72.5176.9000108.3M135 L203 V204 H258 F330M135-L137 HydrophobicContact CE-CD1 4.48Å; M135-L137 HydrophobicContact SD-CD1 3.6Å; M135-L137 VanDerWaalsContact SD-CD1 3.6Å; M135-L137 HydrophobicContact SD-CG 4.17Å; L137-L203 CarbonylContact C-O 3.55Å; L137-L203 WeakPolarHBondContact CA-O 3.19Å; L137-V204 HydrophobicContact CD2-CB 4.41Å; L137-V204 HydrophobicContact CD2-CG1 3.81Å; L137-V204 HydrophobicContact CD2-CG2 4.03Å; L137-H258 HydrophobicContact CD1-CB 3.99Å; L137-H258 WeakPolarHBondContact CD1-CD2 3.14Å; L137-H258 VanDerWaalsContact CD1-CG 3.48Å; L137-F330 HydrophobicContact CD2-CB 3.91Å; L137-F330 HydrophobicContact CD2-CD2 4.2Å; L137-F330 HydrophobicContact CD2-CG 4Å
138P97.6Very high97.4Very high13 Ų1355.6 Ų55.68%0.08431%0.312CS..  trans-60165.1173.326-34.5000112.1F142 L260 F330P138-F142 HydrophobicContact CB-CB 3.92Å; P138-F142 HydrophobicContact CB-CD1 4.22Å; P138-F142 HydrophobicContact CB-CD2 3.59Å; P138-F142 HydrophobicContact CB-CE2 4.08Å; P138-F142 HydrophobicContact CB-CG 3.68Å; P138-F142 HydrophobicContact CG-CB 4.28Å; P138-F142 HydrophobicContact CG-CD1 3.88Å; P138-F142 HydrophobicContact CG-CD2 4.12Å; P138-F142 HydrophobicContact CG-CE1 4.2Å; P138-F142 HydrophobicContact CG-CE2 4.4Å; P138-F142 HydrophobicContact CG-CG 3.86Å; P138-F142 HydrophobicContact CG-CZ 4.46Å; P138-L260 HydrophobicContact CG-CD2 4.01Å; P138-F330 HydrophobicContact CG-CE2 4.05Å; P138-F330 HydrophobicContact CG-CZ 4.12Å
139S95.6Very high97.4Very high65 Ų6557.7 Ų57.746%0.45532%0.321SS..  trans-53.4146179.2174.40000112.2S141 F142S139-S141 VanDerWaalsContact CB-OG 3.32Å; S139-S141 WeakPolarHBondContact CB-OG 3.18Å; S139-S141 PolarHBondContact O-N 3.47Å; S139-S141 PolarHBondContact OG-N 3.18Å; S139-S141 VanDerWaalsContact OG-N 3.13Å; S139-S141 PolarHBondContact OG-OG 2.99Å; S139-F142 WeakPolarHBondContact O-CB 3.4Å; S139-F142 PolarHBondContact O-N 3.11Å
140P95.4Very high97.5Very high74 Ų7455 Ų5548%0.48131%0.307SS..THydrogen-bonded Turntrans-57.1-7.6167.1-24.235.1000115K261P140-K261 WeakPolarHBondContact O-CE 3.48Å
141S96.4Very high97.6Very high86 Ų8652.2 Ų52.260%0.60130%0.296SS*.THydrogen-bonded Turntrans-78.4-23168.459.60000114.2S139 T143 K261S139-S141 VanDerWaalsContact CB-OG 3.32Å; S139-S141 WeakPolarHBondContact CB-OG 3.18Å; S139-S141 PolarHBondContact O-N 3.47Å; S139-S141 PolarHBondContact OG-N 3.18Å; S139-S141 VanDerWaalsContact OG-N 3.13Å; S139-S141 PolarHBondContact OG-OG 2.99Å; S141-T143 VanDerWaalsContact O-CG2 3.31Å; S141-T143 WeakPolarHBondContact O-CG2 3.39Å; S141-K261 VanDerWaalsContact C-NZ 3.33Å; S141-K261 PolarHBondContact O-NZ 3.16Å
142F98.3Very high97.6Very high15 Ų1548.8 Ų48.87%0.06629%0.285CS..  trans-58.6145-173.6-171-91.4000113.6P138 S139 D146 V147 Y150 L200 L203 L260 K261 L328 F330P138-F142 HydrophobicContact CB-CB 3.92Å; P138-F142 HydrophobicContact CB-CD1 4.22Å; P138-F142 HydrophobicContact CB-CD2 3.59Å; P138-F142 HydrophobicContact CB-CE2 4.08Å; P138-F142 HydrophobicContact CB-CG 3.68Å; P138-F142 HydrophobicContact CG-CB 4.28Å; P138-F142 HydrophobicContact CG-CD1 3.88Å; P138-F142 HydrophobicContact CG-CD2 4.12Å; P138-F142 HydrophobicContact CG-CE1 4.2Å; P138-F142 HydrophobicContact CG-CE2 4.4Å; P138-F142 HydrophobicContact CG-CG 3.86Å; P138-F142 HydrophobicContact CG-CZ 4.46Å; S139-F142 WeakPolarHBondContact O-CB 3.4Å; S139-F142 PolarHBondContact O-N 3.11Å; F142-D146 HydrophobicContact CD1-CB 4.25Å; F142-D146 HydrophobicContact CD2-CB 3.5Å; F142-D146 HydrophobicContact CE1-CB 4.05Å; F142-D146 HydrophobicContact CE2-CB 3.28Å; F142-D146 HydrophobicContact CG-CB 3.99Å; F142-D146 HydrophobicContact CZ-CB 3.55Å; F142-V147 HydrophobicContact CE1-CG2 3.71Å; F142-V147 HydrophobicContact CZ-CG2 4.36Å; F142-Y150 AromaticContact CE2-CD2 3.97Å; F142-Y150 HydrophobicContact CE2-CD2 3.97Å; F142-Y150 HydrophobicContact CE2-CE2 4.11Å; F142-Y150 HydrophobicContact CZ-CD2 4.29Å; F142-L200 HydrophobicContact CE1-CD1 4.22Å; F142-L200 HydrophobicContact CE2-CD1 4.35Å; F142-L200 HydrophobicContact CZ-CD1 3.56Å; F142-L203 HydrophobicContact CE2-CD1 3.95Å; F142-L260 HydrophobicContact CB-CD2 4.2Å; F142-L260 HydrophobicContact CD1-CD2 4.36Å; F142-K261 WeakPolarHBondContact O-CE 3.38Å; F142-K261 PolarHBondContact O-NZ 2.83Å; F142-L328 HydrophobicContact CD1-CD2 4.11Å; F142-F330 HydrophobicContact CE1-CZ 4.14Å
143T98.3Very high97.7Very high36 Ų3649 Ų4922%0.22128%0.279CS..  trans-133170.1-16477.80000112.8S141 R145 D146 V147 Y180S141-T143 VanDerWaalsContact O-CG2 3.31Å; S141-T143 WeakPolarHBondContact O-CG2 3.39Å; T143-R145 PolarHBondContact O-N 2.96Å; T143-R145 PolarHBondContact OG1-N 3.37Å; T143-R145 VanDerWaalsContact OG1-N 3.13Å; T143-D146 WeakPolarHBondContact CA-OD2 3.47Å; T143-D146 WeakPolarHBondContact CB-OD2 3.24Å; T143-D146 WeakPolarHBondContact CG2-OD2 3.46Å; T143-D146 PolarHBondContact N-OD2 3.35Å; T143-D146 WeakPolarHBondContact O-CB 3.49Å; T143-D146 PolarHBondContact O-N 3.06Å; T143-D146 PolarHBondContact OG1-N 2.92Å; T143-D146 PolarHBondContact OG1-OD2 3.49Å; T143-V147 PolarHBondContact O-N 3.4Å; T143-V147 VanDerWaalsContact O-N 3.09Å; T143-Y180 WeakPolarHBondContact CB-OH 3.31Å
144V98.2Very high97.6Very high1 Ų153.5 Ų53.51%0.00630%0.303CS..Hα-helixtrans-62.4-23172.4172.90000112.7E148 V176 Y179 Y180 M237V144-E148 PolarHBondContact O-N 2.89Å; V144-E148 VanDerWaalsContact O-N 3.12Å; V144-V176 HydrophobicContact CG1-CB 4.3Å; V144-V176 HydrophobicContact CG1-CG1 4.2Å; V144-V176 HydrophobicContact CG1-CG2 3.73Å; V144-Y179 HydrophobicContact CB-CD1 4.15Å; V144-Y179 HydrophobicContact CB-CE1 4.3Å; V144-Y179 HydrophobicContact CG1-CD1 4.28Å; V144-Y179 HydrophobicContact CG1-CG 4.22Å; V144-Y179 HydrophobicContact CG2-CD1 4.03Å; V144-Y179 HydrophobicContact CG2-CD2 4.41Å; V144-Y179 HydrophobicContact CG2-CE1 3.78Å; V144-Y179 HydrophobicContact CG2-CE2 4.17Å; V144-Y179 HydrophobicContact CG2-CG 4.34Å; V144-Y180 HydrophobicContact CB-CE2 3.93Å; V144-Y180 HydrophobicContact CG1-CE2 4.23Å; V144-Y180 PolarHBondContact N-OH 3.48Å; V144-M237 HydrophobicContact CB-SD 4.36Å; V144-M237 HydrophobicContact CG1-SD 3.83Å; V144-M237 HydrophobicContact CG2-CB 4.44Å; V144-M237 HydrophobicContact CG2-CG 4.13Å; V144-M237 HydrophobicContact CG2-SD 4.02Å
145R98.2Very high97.5Very high152 Ų15254.5 Ų54.557%0.57430%0.296SS*.Hα-helixtrans-76.2-29.8171.8-58.4-168.2-175.9-172.6-0.8112.4T143 E148 H149 V176 Y180T143-R145 PolarHBondContact O-N 2.96Å; T143-R145 PolarHBondContact OG1-N 3.37Å; T143-R145 VanDerWaalsContact OG1-N 3.13Å; R145-E148 WeakPolarHBondContact O-CB 3.34Å; R145-E148 PolarHBondContact O-N 3.49Å; R145-H149 PolarHBondContact O-N 2.97Å; R145-V176 HydrophobicContact CG-CG1 4.15Å; R145-Y180 HydrophobicContact CG-CD2 4.02Å; R145-Y180 HydrophobicContact CG-CE2 3.4Å
146D98.5Very high97.5Very high54 Ų5459.1 Ų59.129%0.28932%0.318SS..Hα-helixtrans-72-35.6173.8-51.6-70.8000109.9F142 T143 H149 Y150F142-D146 HydrophobicContact CD1-CB 4.25Å; F142-D146 HydrophobicContact CD2-CB 3.5Å; F142-D146 HydrophobicContact CE1-CB 4.05Å; F142-D146 HydrophobicContact CE2-CB 3.28Å; F142-D146 HydrophobicContact CG-CB 3.99Å; F142-D146 HydrophobicContact CZ-CB 3.55Å; T143-D146 WeakPolarHBondContact CA-OD2 3.47Å; T143-D146 WeakPolarHBondContact CB-OD2 3.24Å; T143-D146 WeakPolarHBondContact CG2-OD2 3.46Å; T143-D146 PolarHBondContact N-OD2 3.35Å; T143-D146 WeakPolarHBondContact O-CB 3.49Å; T143-D146 PolarHBondContact O-N 3.06Å; T143-D146 PolarHBondContact OG1-N 2.92Å; T143-D146 PolarHBondContact OG1-OD2 3.49Å; D146-H149 PolarHBondContact O-N 3.26Å; D146-Y150 VanDerWaalsContact O-CD2 3.29Å; D146-Y150 WeakPolarHBondContact O-CD2 2.96Å; D146-Y150 PolarHBondContact O-N 2.69Å
147V98.5Very high97.4Very high0 Ų055.5 Ų55.50%030%0.295CS..Hα-helixtrans-56.8-50.7167.6-176.50000110.5F142 T143 H149 Y150 V151 L172 L193 L200 M237 L328F142-V147 HydrophobicContact CE1-CG2 3.71Å; F142-V147 HydrophobicContact CZ-CG2 4.36Å; T143-V147 PolarHBondContact O-N 3.4Å; T143-V147 VanDerWaalsContact O-N 3.09Å; V147-H149 VanDerWaalsContact C-N 3.28Å; V147-H149 PolarHBondContact O-N 2.88Å; V147-Y150 PolarHBondContact O-N 3.23Å; V147-V151 HydrophobicContact CG1-CG2 4Å; V147-V151 VanDerWaalsContact O-CB 3.26Å; V147-V151 WeakPolarHBondContact O-CB 3.45Å; V147-V151 WeakPolarHBondContact O-CG2 3.32Å; V147-V151 PolarHBondContact O-N 3.48Å; V147-L172 HydrophobicContact CG1-CD2 4.3Å; V147-L193 HydrophobicContact CG1-CD2 4Å; V147-L200 HydrophobicContact CG1-CD2 4.23Å; V147-M237 HydrophobicContact CB-SD 4.12Å; V147-M237 HydrophobicContact CG1-CE 4.32Å; V147-M237 HydrophobicContact CG1-SD 3.9Å; V147-M237 HydrophobicContact CG2-SD 4.13Å; V147-L328 HydrophobicContact CG2-CD1 4.25Å
148E98.3Very high97.2Very high48 Ų4856.9 Ų56.922%0.22430%0.303CS..Hα-helixtrans-53.7-43175.1-167.4-176.8-166.200112.5V144 R145 G152 G173 V176V144-E148 PolarHBondContact O-N 2.89Å; V144-E148 VanDerWaalsContact O-N 3.12Å; R145-E148 WeakPolarHBondContact O-CB 3.34Å; R145-E148 PolarHBondContact O-N 3.49Å; E148-G152 CarbonylContact O-C 3.53Å; E148-G152 VanDerWaalsContact O-CA 3.25Å; E148-G152 WeakPolarHBondContact O-CA 3.31Å; E148-G152 PolarHBondContact O-N 3.16Å; E148-G173 WeakPolarHBondContact OE1-CA 3.46Å; E148-V176 HydrophobicContact CB-CG2 3.83Å; E148-V176 HydrophobicContact CG-CG2 4.11Å; E148-V176 WeakPolarHBondContact OE2-CG1 3.3Å
149H98.3Very high97.1Very high144 Ų14456.3 Ų56.367%0.66730%0.299SS*.Hα-helixtrans-68.7-39.3179.8-177.571.8000113.9R145 D146 V147R145-H149 PolarHBondContact O-N 2.97Å; D146-H149 PolarHBondContact O-N 3.26Å; V147-H149 VanDerWaalsContact C-N 3.28Å; V147-H149 PolarHBondContact O-N 2.88Å
150Y98.4Very high97Very high83 Ų8354 Ų5433%0.32528%0.281SS..Hα-helixtrans-86.6-21.9-178.1-80.3-80.6000114.2F142 D146 V147 R199 L203F142-Y150 AromaticContact CE2-CD2 3.97Å; F142-Y150 HydrophobicContact CE2-CD2 3.97Å; F142-Y150 HydrophobicContact CE2-CE2 4.11Å; F142-Y150 HydrophobicContact CZ-CD2 4.29Å; D146-Y150 VanDerWaalsContact O-CD2 3.29Å; D146-Y150 WeakPolarHBondContact O-CD2 2.96Å; D146-Y150 PolarHBondContact O-N 2.69Å; V147-Y150 PolarHBondContact O-N 3.23Å; Y150-R199 HydrophobicContact CD1-CB 4Å; Y150-L203 HydrophobicContact CD1-CD1 4.2Å; Y150-L203 HydrophobicContact CD2-CD1 4.03Å; Y150-L203 HydrophobicContact CE1-CD1 3.94Å; Y150-L203 HydrophobicContact CE1-CG 4.43Å; Y150-L203 HydrophobicContact CE2-CD1 3.76Å; Y150-L203 HydrophobicContact CG-CD1 4.27Å
151V98.3Very high96.9Very high18 Ų1850.8 Ų50.811%0.10926%0.26CS..Hα-helixtrans-100.4-33.6179.7173.70000112.3V147 K155 L172 L193 F195 T198 L200V147-V151 HydrophobicContact CG1-CG2 4Å; V147-V151 VanDerWaalsContact O-CB 3.26Å; V147-V151 WeakPolarHBondContact O-CB 3.45Å; V147-V151 WeakPolarHBondContact O-CG2 3.32Å; V147-V151 PolarHBondContact O-N 3.48Å; V151-K155 HydrophobicContact CG1-CB 4.02Å; V151-K155 HydrophobicContact CG1-CD 3.56Å; V151-K155 HydrophobicContact CG1-CG 4.33Å; V151-L172 HydrophobicContact CB-CD2 3.62Å; V151-L172 HydrophobicContact CG1-CD2 3.53Å; V151-L193 HydrophobicContact CG1-CD1 4.23Å; V151-F195 HydrophobicContact CG2-CB 4.42Å; V151-T198 HydrophobicContact CB-CG2 4.46Å; V151-T198 HydrophobicContact CG1-CG2 4.19Å; V151-T198 HydrophobicContact CG2-CG2 4.33Å; V151-L200 HydrophobicContact CG2-CB 4.12Å; V151-L200 HydrophobicContact CG2-CD2 3.84Å
152G97.6Very high96.9Very high29 Ų2946.7 Ų46.730%0.29923%0.232SC..  trans102.4130.9-175.900000112.7E148 D154 K155E148-G152 CarbonylContact O-C 3.53Å; E148-G152 VanDerWaalsContact O-CA 3.25Å; E148-G152 WeakPolarHBondContact O-CA 3.31Å; E148-G152 PolarHBondContact O-N 3.16Å; G152-D154 PolarHBondContact O-N 2.77Å; G152-D154 VanDerWaalsContact O-N 3.13Å; G152-K155 PolarHBondContact O-N 3.46Å
153S97.1Very high96.5Very high51 Ų5148.4 Ų48.436%0.35725%0.248SC..THydrogen-bonded Turntrans-54.8-30.8-179.645.60000114.3G173S153-G173 PolarHBondContact O-N 2.95Å
154D96.2Very high96.1Very high100 Ų10051.6 Ų51.654%0.53526%0.256SS..THydrogen-bonded Turntrans-98.2-0.3-171.3-67.1-94.6000114.1G152 E156 K171G152-D154 PolarHBondContact O-N 2.77Å; G152-D154 VanDerWaalsContact O-N 3.13Å; D154-E156 PolarHBondContact O-N 2.86Å; D154-K171 WeakPolarHBondContact OD1-CE 3.33Å; D154-K171 IonicContact OD1-NZ 3.78Å; D154-K171 PolarHBondContact OD1-NZ 2.79Å
155K96.4Very high95.6Very high59 Ų5953.9 Ų53.926%0.25727%0.267SS..  trans-62.9122170.1-165.2173.3-173.8177.20108V151 G152 L172 L193 E194 D197 T198V151-K155 HydrophobicContact CG1-CB 4.02Å; V151-K155 HydrophobicContact CG1-CD 3.56Å; V151-K155 HydrophobicContact CG1-CG 4.33Å; G152-K155 PolarHBondContact O-N 3.46Å; K155-L172 PolarHBondContact O-N 2.66Å; K155-L193 HydrophobicContact CD-CD1 4.41Å; K155-E194 PolarHBondContact NZ-O 3.46Å; K155-D197 IonicContact NZ-OD1 2.63Å; K155-D197 PolarHBondContact NZ-OD1 3.4Å; K155-D197 IonicContact NZ-OD2 3.63Å; K155-D197 PolarHBondContact NZ-OD2 3.3Å; K155-T198 HydrophobicContact CD-CG2 4.49Å
156E96.1Very high95.1Very high118 Ų11848.1 Ų48.155%0.55125%0.252SS*.EExtended strand (participates in β ladder)trans-70.4139.7171.2-172.6175.6-102.800109.3D154 K169D154-E156 PolarHBondContact O-N 2.86Å; E156-K169 HydrophobicContact CG-CB 4.33Å; E156-K169 IonicContact OE2-NZ 3.22Å
157I96.1Very high94.4Very high5 Ų549.1 Ų49.13%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-135.9147.6-177.659.3167.1000110.8V159 M170 L172 F175 V190 L193I157-V159 HydrophobicContact CD1-CG2 4.04Å; I157-V159 HydrophobicContact CG1-CG2 3.89Å; I157-M170 VanDerWaalsContact CG1-O 3.32Å; I157-M170 WeakPolarHBondContact CG1-O 3.15Å; I157-M170 PolarHBondContact N-O 3.24Å; I157-M170 PolarHBondContact O-N 3.46Å; I157-L172 HydrophobicContact CD1-CB 4.35Å; I157-L172 HydrophobicContact CD1-CD1 4Å; I157-L172 HydrophobicContact CG2-CB 4.36Å; I157-F175 HydrophobicContact CD1-CB 3.96Å; I157-F175 HydrophobicContact CD1-CD1 4.5Å; I157-F175 HydrophobicContact CD1-CG 4.23Å; I157-V190 HydrophobicContact CD1-CG1 4.22Å; I157-V190 HydrophobicContact CD1-CG2 3.75Å; I157-L193 HydrophobicContact CG2-CD1 3.87Å; I157-L193 HydrophobicContact CG2-CD2 4.49Å
158D93Very high93.9Very high44 Ų4449.6 Ų49.624%0.23526%0.26CS..EExtended strand (participates in β ladder)trans-82.4131.3171.5-61.4-65.8000110.6K169D158-K169 WeakPolarHBondContact OD1-CE 3.47Å; D158-K169 WeakPolarHBondContact OD1-CG 3.32Å; D158-K169 IonicContact OD1-NZ 3.95Å; D158-K169 PolarHBondContact OD1-NZ 2.98Å; D158-K169 IonicContact OD2-NZ 2.67Å; D158-K169 PolarHBondContact OD2-NZ 2.9Å
159V95.3Very high93.5Very high0 Ų051.9 Ų51.90%027%0.27CS..EExtended strand (participates in β ladder)trans-136.1132.3-171.3-168.80000108.9I157 D167 C168 M170 F175 L188 V190I157-V159 HydrophobicContact CD1-CG2 4.04Å; I157-V159 HydrophobicContact CG1-CG2 3.89Å; V159-D167 CarbonylContact O-C 3.59Å; V159-C168 PolarHBondContact N-O 3.32Å; V159-C168 WeakPolarHBondContact O-CA 3.35Å; V159-C168 WeakPolarHBondContact O-CB 3.38Å; V159-C168 PolarHBondContact O-N 3.33Å; V159-M170 HydrophobicContact CB-CE 4.13Å; V159-M170 HydrophobicContact CG1-CE 4.19Å; V159-M170 HydrophobicContact CG2-CE 4.13Å; V159-M170 HydrophobicContact CG2-CG 3.64Å; V159-M170 HydrophobicContact CG2-SD 4.03Å; V159-F175 HydrophobicContact CG1-CD2 4.09Å; V159-F175 HydrophobicContact CG1-CE2 4.28Å; V159-L188 HydrophobicContact CG1-CB 3.81Å; V159-V190 HydrophobicContact CG1-CG2 4.2Å; V159-V190 HydrophobicContact CG2-CG2 4.04Å
160I93.9Very high93.3Very high17 Ų1746 Ų469%0.08724%0.243CC..EExtended strand (participates in β ladder)trans-92.2124.1179.9-61.3157.9000109.8V162 D167 L188 N189 I191I160-V162 HydrophobicContact CG2-CG2 4.23Å; I160-V162 PolarHBondContact O-N 2.96Å; I160-V162 VanDerWaalsContact O-N 3.16Å; I160-D167 VanDerWaalsContact CG1-OD1 3.26Å; I160-D167 WeakPolarHBondContact CG1-OD1 3.37Å; I160-L188 WeakPolarHBondContact O-CA 3.47Å; I160-N189 HydrophobicContact CB-CB 4.31Å; I160-N189 PolarHBondContact N-O 3.28Å; I160-N189 PolarHBondContact O-N 3Å; I160-N189 VanDerWaalsContact O-N 3.07Å; I160-I191 HydrophobicContact CD1-CD1 3.6Å; I160-I191 HydrophobicContact CD1-CG1 3.93Å
161D94.8Very high93.3Very high7 Ų746.5 Ų46.54%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-76.295161-172.3-24000108.1A163 R164 Q165 A166 K186 L188D161-A163 PolarHBondContact O-N 3.31Å; D161-A163 VanDerWaalsContact O-N 3.13Å; D161-A163 PolarHBondContact OD1-N 3.26Å; D161-R164 HydrophobicContact CB-CB 4.25Å; D161-R164 CarbonylContact O-C 3.57Å; D161-R164 WeakPolarHBondContact O-CA 3.38Å; D161-R164 PolarHBondContact O-N 3.16Å; D161-R164 WeakPolarHBondContact OD2-CD 3.44Å; D161-Q165 PolarHBondContact O-N 3.34Å; D161-A166 PolarHBondContact N-O 3.42Å; D161-K186 VanDerWaalsContact OD2-CD 3.31Å; D161-K186 WeakPolarHBondContact OD2-CD 3.49Å; D161-K186 WeakPolarHBondContact OD2-CE 3.49Å; D161-K186 IonicContact OD2-NZ 2.8Å; D161-K186 PolarHBondContact OD2-NZ 2.83Å; D161-L188 HydrophobicContact CB-CD2 4.24Å
162V95.1Very high93.3Very high0 Ų045.6 Ų45.60%024%0.241CC..THydrogen-bonded Turntrans-59.4-31.8-170.1171.90000111.7G83 I160 R164 Q165 V187 N189 Y243G83-V162 CarbonylContact C-O 3.58Å; G83-V162 WeakPolarHBondContact CA-O 3.45Å; I160-V162 HydrophobicContact CG2-CG2 4.23Å; I160-V162 PolarHBondContact O-N 2.96Å; I160-V162 VanDerWaalsContact O-N 3.16Å; V162-R164 VanDerWaalsContact C-N 3.26Å; V162-R164 PolarHBondContact O-N 3.45Å; V162-Q165 PolarHBondContact O-N 3.11Å; V162-Q165 PolarHBondContact O-NE2 2.85Å; V162-V187 HydrophobicContact CB-CB 4.15Å; V162-V187 HydrophobicContact CB-CG1 3.83Å; V162-V187 WeakPolarHBondContact CB-O 3.02Å; V162-V187 HydrophobicContact CG1-CG1 4.17Å; V162-V187 HydrophobicContact CG2-CG1 4.03Å; V162-V187 PolarHBondContact N-O 2.74Å; V162-N189 HydrophobicContact CG2-CB 3.69Å; V162-Y243 VanDerWaalsContact CG1-N 3.35Å
163A91.1Very high93.3Very high50 Ų5044.3 Ų44.341%0.41323%0.228SC..THydrogen-bonded Turntrans-75.2-14.817900000113.6D161D161-A163 PolarHBondContact O-N 3.31Å; D161-A163 VanDerWaalsContact O-N 3.13Å; D161-A163 PolarHBondContact OD1-N 3.26Å
164R89Confident93.2Very high104 Ų10445 Ų4539%0.39223%0.227SC..THydrogen-bonded Turntrans-102.5-21.3173.6-72169.559.3-174.1-12.1113D40 D161 V162 A166D40-R164 PolarHBondContact O-NH1 2.95Å; D161-R164 HydrophobicContact CB-CB 4.25Å; D161-R164 CarbonylContact O-C 3.57Å; D161-R164 WeakPolarHBondContact O-CA 3.38Å; D161-R164 PolarHBondContact O-N 3.16Å; D161-R164 WeakPolarHBondContact OD2-CD 3.44Å; V162-R164 VanDerWaalsContact C-N 3.26Å; V162-R164 PolarHBondContact O-N 3.45Å; R164-A166 VanDerWaalsContact C-N 3.31Å; R164-A166 HydrophobicContact CB-CB 4.04Å
165Q88.7Confident93.3Very high49 Ų4940.2 Ų40.223%0.22920%0.202CC..THydrogen-bonded Turntrans50.752.7-164.2-63.2-68.1-8300110.5T82 D161 V162 Y243T82-Q165 HydrophobicContact CG2-CG 3.82Å; D161-Q165 PolarHBondContact O-N 3.34Å; V162-Q165 PolarHBondContact O-N 3.11Å; V162-Q165 PolarHBondContact O-NE2 2.85Å; Q165-Y243 PolarHBondContact NE2-O 3.14Å
166A86.2Confident93.4Very high31 Ų3137.6 Ų37.626%0.25619%0.191SC..EExtended strand (participates in β ladder)trans-139137.7179.600000110.1D161 R164D161-A166 PolarHBondContact N-O 3.42Å; R164-A166 VanDerWaalsContact C-N 3.31Å; R164-A166 HydrophobicContact CB-CB 4.04Å
167D85.2Confident93.4Very high75 Ų7538.1 Ų38.140%0.40119%0.191SC..EExtended strand (participates in β ladder)trans-72.5155.9171.6-58.2-82.8000111.6V159 I160V159-D167 CarbonylContact O-C 3.59Å; I160-D167 VanDerWaalsContact CG1-OD1 3.26Å; I160-D167 WeakPolarHBondContact CG1-OD1 3.37Å
168C87.6Confident93.5Very high10 Ų1039.6 Ų39.67%0.06820%0.197CC..EExtended strand (participates in β ladder)trans-156.8143.7-164.9146.40000107.6D40 V159 M170D40-C168 HydrophobicContact CB-CB 3.99Å; D40-C168 WeakPolarHBondContact OD1-CA 3.4Å; D40-C168 VanDerWaalsContact OD1-CB 3.27Å; D40-C168 WeakPolarHBondContact OD1-CB 3.28Å; D40-C168 WeakPolarHBondContact OD2-CA 3.43Å; D40-C168 VanDerWaalsContact OD2-CB 3.23Å; D40-C168 WeakPolarHBondContact OD2-CB 3.38Å; D40-C168 PolarHBondContact OD2-SG 2.84Å; V159-C168 PolarHBondContact N-O 3.32Å; V159-C168 WeakPolarHBondContact O-CA 3.35Å; V159-C168 WeakPolarHBondContact O-CB 3.38Å; V159-C168 PolarHBondContact O-N 3.33Å; C168-M170 WeakPolarHBondContact SG-CE 3.45Å
169K90.1Very high93.7Very high96 Ų9638.5 Ų38.542%0.41719%0.189SC..EExtended strand (participates in β ladder)trans-111.4131.9-177.4-79.6-176.8173.5-59.60111.9D40 E156 D158D40-K169 PolarHBondContact OD2-N 3.45Å; E156-K169 HydrophobicContact CG-CB 4.33Å; E156-K169 IonicContact OE2-NZ 3.22Å; D158-K169 WeakPolarHBondContact OD1-CE 3.47Å; D158-K169 WeakPolarHBondContact OD1-CG 3.32Å; D158-K169 IonicContact OD1-NZ 3.95Å; D158-K169 PolarHBondContact OD1-NZ 2.98Å; D158-K169 IonicContact OD2-NZ 2.67Å; D158-K169 PolarHBondContact OD2-NZ 2.9Å
170M94.1Very high93.8Very high20 Ų2043 Ų4310%0.09921%0.207CC..EExtended strand (participates in β ladder)trans-154.1167.3172.666.5-173.669.500112.1I157 V159 C168 F175 L188I157-M170 VanDerWaalsContact CG1-O 3.32Å; I157-M170 WeakPolarHBondContact CG1-O 3.15Å; I157-M170 PolarHBondContact N-O 3.24Å; I157-M170 PolarHBondContact O-N 3.46Å; V159-M170 HydrophobicContact CB-CE 4.13Å; V159-M170 HydrophobicContact CG1-CE 4.19Å; V159-M170 HydrophobicContact CG2-CE 4.13Å; V159-M170 HydrophobicContact CG2-CG 3.64Å; V159-M170 HydrophobicContact CG2-SD 4.03Å; C168-M170 WeakPolarHBondContact SG-CE 3.45Å; M170-F175 HydrophobicContact CG-CB 4.39Å; M170-F175 HydrophobicContact SD-CB 3.95Å; M170-F175 HydrophobicContact SD-CD2 4.4Å; M170-L188 HydrophobicContact CE-CD1 3.97Å; M170-L188 HydrophobicContact SD-CD1 4.46Å
171K96.9Very high93.9Very high93 Ų9344.6 Ų44.640%0.40422%0.219SC..EExtended strand (participates in β ladder)trans-71.3143172.2-70.3-176.5170.3-169.70111.6D154 G173 D174 F175D154-K171 WeakPolarHBondContact OD1-CE 3.33Å; D154-K171 IonicContact OD1-NZ 3.78Å; D154-K171 PolarHBondContact OD1-NZ 2.79Å; K171-G173 VanDerWaalsContact C-N 3.27Å; K171-G173 PolarHBondContact O-N 3.45Å; K171-D174 PolarHBondContact O-N 3.04Å; K171-F175 PolarHBondContact O-N 2.87Å
172L98.2Very high93.6Very high0 Ų048.4 Ų48.40%026%0.261CS..Hα-helixtrans-52.3-43.9175.4175.157.6000112.2V147 V151 K155 I157 D174 F175 V176 L193 M237V147-L172 HydrophobicContact CG1-CD2 4.3Å; V151-L172 HydrophobicContact CB-CD2 3.62Å; V151-L172 HydrophobicContact CG1-CD2 3.53Å; K155-L172 PolarHBondContact O-N 2.66Å; I157-L172 HydrophobicContact CD1-CB 4.35Å; I157-L172 HydrophobicContact CD1-CD1 4Å; I157-L172 HydrophobicContact CG2-CB 4.36Å; L172-D174 VanDerWaalsContact C-N 3.29Å; L172-D174 PolarHBondContact O-N 2.89Å; L172-F175 WeakPolarHBondContact O-CB 3.18Å; L172-F175 PolarHBondContact O-N 3.24Å; L172-V176 HydrophobicContact CD1-CG2 4Å; L172-V176 HydrophobicContact CG-CG2 4.23Å; L172-V176 WeakPolarHBondContact O-CG2 3.15Å; L172-V176 PolarHBondContact O-N 3.07Å; L172-L193 HydrophobicContact CD1-CD2 4.39Å; L172-M237 HydrophobicContact CD1-CE 3.69Å; L172-M237 HydrophobicContact CD1-SD 4.47Å
173G97.4Very high93.5Very high2 Ų256.7 Ų56.72%0.02130%0.297CS..Hα-helixtrans-64.6-30.2178.900000113.8E148 S153 K171 V176 K177E148-G173 WeakPolarHBondContact OE1-CA 3.46Å; S153-G173 PolarHBondContact O-N 2.95Å; K171-G173 VanDerWaalsContact C-N 3.27Å; K171-G173 PolarHBondContact O-N 3.45Å; G173-V176 PolarHBondContact O-N 3.08Å; G173-K177 WeakPolarHBondContact O-CD 3.28Å; G173-K177 VanDerWaalsContact O-CE 3.26Å; G173-K177 WeakPolarHBondContact O-CE 3.31Å; G173-K177 WeakPolarHBondContact O-CG 3.26Å; G173-K177 PolarHBondContact O-N 3.4Å
174D96.6Very high93.6Very high64 Ų6458.4 Ų58.434%0.34229%0.293SS..Hα-helixtrans-77.1-36174.7-68.6-53.8000112K171 L172 V176 K177 Y178K171-D174 PolarHBondContact O-N 3.04Å; L172-D174 VanDerWaalsContact C-N 3.29Å; L172-D174 PolarHBondContact O-N 2.89Å; D174-V176 VanDerWaalsContact C-N 3.32Å; D174-V176 PolarHBondContact O-N 2.99Å; D174-K177 PolarHBondContact O-N 3.31Å; D174-K177 WeakPolarHBondContact OD1-CD 3.48Å; D174-K177 IonicContact OD1-NZ 2.72Å; D174-K177 PolarHBondContact OD1-NZ 2.81Å; D174-K177 IonicContact OD2-NZ 2.94Å; D174-Y178 PolarHBondContact O-N 3.02Å
175F97.8Very high93.6Very high0 Ų061 Ų610%031%0.309CS..Hα-helixtrans-61.2-39.8166.2178.5-96000112I157 V159 M170 K171 L172 Y178 Y179 L188 V190 M237I157-F175 HydrophobicContact CD1-CB 3.96Å; I157-F175 HydrophobicContact CD1-CD1 4.5Å; I157-F175 HydrophobicContact CD1-CG 4.23Å; V159-F175 HydrophobicContact CG1-CD2 4.09Å; V159-F175 HydrophobicContact CG1-CE2 4.28Å; M170-F175 HydrophobicContact CG-CB 4.39Å; M170-F175 HydrophobicContact SD-CB 3.95Å; M170-F175 HydrophobicContact SD-CD2 4.4Å; K171-F175 PolarHBondContact O-N 2.87Å; L172-F175 WeakPolarHBondContact O-CB 3.18Å; L172-F175 PolarHBondContact O-N 3.24Å; F175-Y178 HydrophobicContact CD2-CD1 4.08Å; F175-Y178 AromaticContact CE2-CD1 3.98Å; F175-Y178 HydrophobicContact CE2-CD1 3.98Å; F175-Y178 HydrophobicContact CE2-CE1 4.14Å; F175-Y178 WeakPolarHBondContact O-CB 3.12Å; F175-Y178 PolarHBondContact O-N 2.87Å; F175-Y179 AromaticContact CE1-CD2 3.99Å; F175-Y179 HydrophobicContact CE1-CD2 3.99Å; F175-Y179 AromaticContact CZ-CD2 3.94Å; F175-Y179 HydrophobicContact CZ-CD2 3.94Å; F175-Y179 WeakPolarHBondContact O-CB 3.44Å; F175-Y179 PolarHBondContact O-N 3.07Å; F175-L188 HydrophobicContact CE2-CB 4.17Å; F175-V190 HydrophobicContact CD1-CG2 3.89Å; F175-V190 HydrophobicContact CD2-CG2 3.74Å; F175-V190 HydrophobicContact CE1-CG2 3.76Å; F175-V190 HydrophobicContact CE2-CG2 3.6Å; F175-V190 HydrophobicContact CG-CG2 3.88Å; F175-V190 HydrophobicContact CZ-CB 4.45Å; F175-V190 HydrophobicContact CZ-CG2 3.6Å; F175-M237 HydrophobicContact CD1-CE 4.17Å; F175-M237 HydrophobicContact CE1-CB 3.67Å; F175-M237 HydrophobicContact CE1-CE 4.12Å; F175-M237 HydrophobicContact CE1-SD 4.31Å; F175-M237 HydrophobicContact CZ-CB 4.09Å; F175-M237 WeakPolarHBondContact CZ-O 3.44Å
176V98.1Very high93.8Very high4 Ų460.6 Ų60.62%0.02431%0.307CS..Hα-helixtrans-65.6-43177.9177.90000111V144 R145 E148 L172 G173 D174 Y178 Y179 Y180V144-V176 HydrophobicContact CG1-CB 4.3Å; V144-V176 HydrophobicContact CG1-CG1 4.2Å; V144-V176 HydrophobicContact CG1-CG2 3.73Å; R145-V176 HydrophobicContact CG-CG1 4.15Å; E148-V176 HydrophobicContact CB-CG2 3.83Å; E148-V176 HydrophobicContact CG-CG2 4.11Å; E148-V176 WeakPolarHBondContact OE2-CG1 3.3Å; L172-V176 HydrophobicContact CD1-CG2 4Å; L172-V176 HydrophobicContact CG-CG2 4.23Å; L172-V176 WeakPolarHBondContact O-CG2 3.15Å; L172-V176 PolarHBondContact O-N 3.07Å; G173-V176 PolarHBondContact O-N 3.08Å; D174-V176 VanDerWaalsContact C-N 3.32Å; D174-V176 PolarHBondContact O-N 2.99Å; V176-Y178 VanDerWaalsContact C-N 3.34Å; V176-Y178 PolarHBondContact O-N 3.32Å; V176-Y179 PolarHBondContact O-N 3.41Å; V176-Y180 HydrophobicContact CG1-CD2 3.77Å; V176-Y180 HydrophobicContact CG1-CE2 3.88Å; V176-Y180 WeakPolarHBondContact O-CD2 3.34Å; V176-Y180 PolarHBondContact O-N 3.39Å
177K97.1Very high94.3Very high130 Ų13061.2 Ų61.257%0.56531%0.307SS*.Hα-helixtrans-58-44.8172.1-69.1161.8-145.7164.20111.4G173 D174 S181G173-K177 WeakPolarHBondContact O-CD 3.28Å; G173-K177 VanDerWaalsContact O-CE 3.26Å; G173-K177 WeakPolarHBondContact O-CE 3.31Å; G173-K177 WeakPolarHBondContact O-CG 3.26Å; G173-K177 PolarHBondContact O-N 3.4Å; D174-K177 PolarHBondContact O-N 3.31Å; D174-K177 WeakPolarHBondContact OD1-CD 3.48Å; D174-K177 IonicContact OD1-NZ 2.72Å; D174-K177 PolarHBondContact OD1-NZ 2.81Å; D174-K177 IonicContact OD2-NZ 2.94Å; K177-S181 PolarHBondContact O-N 3.39Å; K177-S181 VanDerWaalsContact O-N 3.1Å
178Y97.3Very high94.9Very high35 Ų3558.2 Ų58.214%0.13729%0.291CS..Hα-helixtrans-61.3-45.2173.4159.6-91.6000112.2D174 F175 V176 Y180 S181 R184 K186 L188 V239D174-Y178 PolarHBondContact O-N 3.02Å; F175-Y178 HydrophobicContact CD2-CD1 4.08Å; F175-Y178 AromaticContact CE2-CD1 3.98Å; F175-Y178 HydrophobicContact CE2-CD1 3.98Å; F175-Y178 HydrophobicContact CE2-CE1 4.14Å; F175-Y178 WeakPolarHBondContact O-CB 3.12Å; F175-Y178 PolarHBondContact O-N 2.87Å; V176-Y178 VanDerWaalsContact C-N 3.34Å; V176-Y178 PolarHBondContact O-N 3.32Å; Y178-Y180 VanDerWaalsContact C-N 3.35Å; Y178-Y180 PolarHBondContact O-N 2.63Å; Y178-S181 VanDerWaalsContact O-CB 3.23Å; Y178-S181 WeakPolarHBondContact O-CB 3.34Å; Y178-S181 PolarHBondContact O-N 2.82Å; Y178-S181 VanDerWaalsContact O-N 3.08Å; Y178-R184 HydrophobicContact CD2-CG 4.49Å; Y178-R184 HydrophobicContact CE2-CB 3.82Å; Y178-R184 HydrophobicContact CE2-CG 3.91Å; Y178-K186 WeakPolarHBondContact CE2-O 3.47Å; Y178-K186 PolarHBondContact OH-O 3.07Å; Y178-L188 HydrophobicContact CD1-CB 4.24Å; Y178-L188 HydrophobicContact CD1-CD1 3.97Å; Y178-L188 HydrophobicContact CD1-CG 4.49Å; Y178-L188 HydrophobicContact CD2-CD1 3.89Å; Y178-L188 HydrophobicContact CE1-CB 3.61Å; Y178-L188 HydrophobicContact CE1-CD1 4Å; Y178-L188 HydrophobicContact CE1-CG 4.02Å; Y178-L188 HydrophobicContact CE2-CD1 3.89Å; Y178-L188 HydrophobicContact CE2-CG 4.04Å; Y178-L188 HydrophobicContact CG-CD1 3.93Å; Y178-L188 PolarHBondContact OH-N 2.88Å; Y178-V239 HydrophobicContact CE1-CG1 3.77Å
179Y97.6Very high95.4Very high21 Ų2157.8 Ų57.88%0.08229%0.288CS..Hα-helixtrans-62.3-41.9-177-170-84.5000111.3V144 F175 V176 S181 R184 V239V144-Y179 HydrophobicContact CB-CD1 4.15Å; V144-Y179 HydrophobicContact CB-CE1 4.3Å; V144-Y179 HydrophobicContact CG1-CD1 4.28Å; V144-Y179 HydrophobicContact CG1-CG 4.22Å; V144-Y179 HydrophobicContact CG2-CD1 4.03Å; V144-Y179 HydrophobicContact CG2-CD2 4.41Å; V144-Y179 HydrophobicContact CG2-CE1 3.78Å; V144-Y179 HydrophobicContact CG2-CE2 4.17Å; V144-Y179 HydrophobicContact CG2-CG 4.34Å; F175-Y179 AromaticContact CE1-CD2 3.99Å; F175-Y179 HydrophobicContact CE1-CD2 3.99Å; F175-Y179 AromaticContact CZ-CD2 3.94Å; F175-Y179 HydrophobicContact CZ-CD2 3.94Å; F175-Y179 WeakPolarHBondContact O-CB 3.44Å; F175-Y179 PolarHBondContact O-N 3.07Å; V176-Y179 PolarHBondContact O-N 3.41Å; Y179-S181 VanDerWaalsContact C-N 3.34Å; Y179-R184 PolarHBondContact O-NE 3.32Å; Y179-R184 PolarHBondContact O-NH2 2.85Å; Y179-V239 HydrophobicContact CD2-CG1 3.82Å; Y179-V239 HydrophobicContact CE2-CG1 4.05Å
180Y97.4Very high95.8Very high96 Ų9653.2 Ų53.238%0.37627%0.268SS..THydrogen-bonded Turntrans-86.22.9175.6-69.1-72.4000114.7T143 V144 R145 V176 Y178T143-Y180 WeakPolarHBondContact CB-OH 3.31Å; V144-Y180 HydrophobicContact CB-CE2 3.93Å; V144-Y180 HydrophobicContact CG1-CE2 4.23Å; V144-Y180 PolarHBondContact N-OH 3.48Å; R145-Y180 HydrophobicContact CG-CD2 4.02Å; R145-Y180 HydrophobicContact CG-CE2 3.4Å; V176-Y180 HydrophobicContact CG1-CD2 3.77Å; V176-Y180 HydrophobicContact CG1-CE2 3.88Å; V176-Y180 WeakPolarHBondContact O-CD2 3.34Å; V176-Y180 PolarHBondContact O-N 3.39Å; Y178-Y180 VanDerWaalsContact C-N 3.35Å; Y178-Y180 PolarHBondContact O-N 2.63Å
181S96Very high95.9Very high49 Ų4954.2 Ų54.234%0.34327%0.274SS..  trans-67.9131.9175.2-179.80000111.6K177 Y178 Y179 K183K177-S181 PolarHBondContact O-N 3.39Å; K177-S181 VanDerWaalsContact O-N 3.1Å; Y178-S181 VanDerWaalsContact O-CB 3.23Å; Y178-S181 WeakPolarHBondContact O-CB 3.34Å; Y178-S181 PolarHBondContact O-N 2.82Å; Y178-S181 VanDerWaalsContact O-N 3.08Å; Y179-S181 VanDerWaalsContact C-N 3.34Å; S181-K183 WeakPolarHBondContact CB-O 3.19Å; S181-K183 PolarHBondContact O-N 3.33Å; S181-K183 VanDerWaalsContact O-N 3.14Å; S181-K183 PolarHBondContact OG-N 3.21Å; S181-K183 VanDerWaalsContact OG-N 3.1Å; S181-K183 PolarHBondContact OG-O 2.79Å
182G89.2Confident95.7Very high88 Ų8852.2 Ų52.291%0.90727%0.271SS*.SBendtrans-67.2-4169.700000114.5
183K91.2Very high95.7Very high174 Ų17452.5 Ų52.576%0.75727%0.272SS*.  trans-136.8117.9172.8-67179.5-177.81750109.9S181S181-K183 WeakPolarHBondContact CB-O 3.19Å; S181-K183 PolarHBondContact O-N 3.33Å; S181-K183 VanDerWaalsContact O-N 3.14Å; S181-K183 PolarHBondContact OG-N 3.21Å; S181-K183 VanDerWaalsContact OG-N 3.1Å; S181-K183 PolarHBondContact OG-O 2.79Å
184R93.5Very high95.7Very high86 Ų8653.7 Ų53.733%0.32528%0.277SS..  trans-114.8103.6175.4-60.2-177.7-167.4145.5-0.2109Y178 Y179 D326Y178-R184 HydrophobicContact CD2-CG 4.49Å; Y178-R184 HydrophobicContact CE2-CB 3.82Å; Y178-R184 HydrophobicContact CE2-CG 3.91Å; Y179-R184 PolarHBondContact O-NE 3.32Å; Y179-R184 PolarHBondContact O-NH2 2.85Å; R184-D326 IonicContact CZ-OD1 2.7Å; R184-D326 IonicContact CZ-OD2 2.68Å; R184-D326 VanDerWaalsContact CZ-OD2 3.29Å; R184-D326 VanDerWaalsContact NH1-CG 3.26Å; R184-D326 IonicContact NH1-OD1 2.77Å; R184-D326 PolarHBondContact NH1-OD1 3.26Å; R184-D326 IonicContact NH1-OD2 3.76Å; R184-D326 PolarHBondContact NH1-OD2 3.43Å; R184-D326 IonicContact NH2-OD1 3.73Å; R184-D326 IonicContact NH2-OD2 3.28Å; R184-D326 PolarHBondContact NH2-OD2 3.35Å
185E90.1Very high95.7Very high157 Ų15750.6 Ų50.673%0.73426%0.261SS*.SBendtrans-79.9-31.2-178.4-59.2-162167.300112.8R65R65-E185 VanDerWaalsContact CZ-O 3.25Å; R65-E185 PolarHBondContact NH1-O 3.43Å; R65-E185 PolarHBondContact NH2-O 2.9Å
186K93.3Very high95.7Very high42 Ų4252 Ų5218%0.18327%0.271CS..SBendtrans-103.6160.9169.7-66.1-173.8170.7-149.60110.2D44 D161 Y178 L188D44-K186 WeakPolarHBondContact OD2-CE 3.44Å; D44-K186 IonicContact OD2-NZ 3.69Å; D44-K186 PolarHBondContact OD2-NZ 3.19Å; D161-K186 VanDerWaalsContact OD2-CD 3.31Å; D161-K186 WeakPolarHBondContact OD2-CD 3.49Å; D161-K186 WeakPolarHBondContact OD2-CE 3.49Å; D161-K186 IonicContact OD2-NZ 2.8Å; D161-K186 PolarHBondContact OD2-NZ 2.83Å; Y178-K186 WeakPolarHBondContact CE2-O 3.47Å; Y178-K186 PolarHBondContact OH-O 3.07Å; K186-L188 HydrophobicContact CB-CD2 3.91Å; K186-L188 HydrophobicContact CB-CG 4.07Å; K186-L188 HydrophobicContact CD-CD2 4.15Å
187V96.6Very high95.5Very high43 Ų4357.3 Ų57.326%0.26130%0.299SS..  trans-104.4104.1168.6177.10000106.4V162 V239 S242V162-V187 HydrophobicContact CB-CB 4.15Å; V162-V187 HydrophobicContact CB-CG1 3.83Å; V162-V187 WeakPolarHBondContact CB-O 3.02Å; V162-V187 HydrophobicContact CG1-CG1 4.17Å; V162-V187 HydrophobicContact CG2-CG1 4.03Å; V162-V187 PolarHBondContact N-O 2.74Å; V187-V239 HydrophobicContact CG1-CG2 3.91Å; V187-S242 WeakPolarHBondContact CG1-OG 3.37Å
188L96.9Very high95.5Very high12 Ų1252 Ų526%0.06328%0.278CS..EExtended strand (participates in β ladder)trans-107.5143.6-176.7-57.1179.5000110.6V159 I160 D161 M170 F175 Y178 K186 V239 S242V159-L188 HydrophobicContact CG1-CB 3.81Å; I160-L188 WeakPolarHBondContact O-CA 3.47Å; D161-L188 HydrophobicContact CB-CD2 4.24Å; M170-L188 HydrophobicContact CE-CD1 3.97Å; M170-L188 HydrophobicContact SD-CD1 4.46Å; F175-L188 HydrophobicContact CE2-CB 4.17Å; Y178-L188 HydrophobicContact CD1-CB 4.24Å; Y178-L188 HydrophobicContact CD1-CD1 3.97Å; Y178-L188 HydrophobicContact CD1-CG 4.49Å; Y178-L188 HydrophobicContact CD2-CD1 3.89Å; Y178-L188 HydrophobicContact CE1-CB 3.61Å; Y178-L188 HydrophobicContact CE1-CD1 4Å; Y178-L188 HydrophobicContact CE1-CG 4.02Å; Y178-L188 HydrophobicContact CE2-CD1 3.89Å; Y178-L188 HydrophobicContact CE2-CG 4.04Å; Y178-L188 HydrophobicContact CG-CD1 3.93Å; Y178-L188 PolarHBondContact OH-N 2.88Å; K186-L188 HydrophobicContact CB-CD2 3.91Å; K186-L188 HydrophobicContact CB-CG 4.07Å; K186-L188 HydrophobicContact CD-CD2 4.15Å; L188-V239 WeakPolarHBondContact O-CG2 3.29Å; L188-S242 PolarHBondContact O-OG 3.17Å
189N97.9Very high95.6Very high1 Ų159.1 Ų59.11%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-139.7122.2-171.7-176.335.3000111.4I160 V162 I191 S238 T244I160-N189 HydrophobicContact CB-CB 4.31Å; I160-N189 PolarHBondContact N-O 3.28Å; I160-N189 PolarHBondContact O-N 3Å; I160-N189 VanDerWaalsContact O-N 3.07Å; V162-N189 HydrophobicContact CG2-CB 3.69Å; N189-I191 WeakPolarHBondContact ND2-CG2 3.38Å; N189-S238 WeakPolarHBondContact OD1-CB 3.28Å; N189-S238 PolarHBondContact OD1-OG 3.07Å; N189-T244 PolarHBondContact ND2-OG1 2.91Å
190V98.3Very high95.6Very high0 Ų058.1 Ų58.10%030%0.3CS..EExtended strand (participates in β ladder)trans-101.2120.8173.7-177.40000108.6I157 V159 F175 L193 L236 M237I157-V190 HydrophobicContact CD1-CG1 4.22Å; I157-V190 HydrophobicContact CD1-CG2 3.75Å; V159-V190 HydrophobicContact CG1-CG2 4.2Å; V159-V190 HydrophobicContact CG2-CG2 4.04Å; F175-V190 HydrophobicContact CD1-CG2 3.89Å; F175-V190 HydrophobicContact CD2-CG2 3.74Å; F175-V190 HydrophobicContact CE1-CG2 3.76Å; F175-V190 HydrophobicContact CE2-CG2 3.6Å; F175-V190 HydrophobicContact CG-CG2 3.88Å; F175-V190 HydrophobicContact CZ-CB 4.45Å; F175-V190 HydrophobicContact CZ-CG2 3.6Å; V190-L193 HydrophobicContact CG1-CB 3.8Å; V190-L236 CarbonylContact O-C 3.55Å; V190-L236 WeakPolarHBondContact O-CA 3.38Å; V190-M237 HydrophobicContact CB-CB 4.22Å; V190-M237 HydrophobicContact CB-CE 4.11Å; V190-M237 HydrophobicContact CG1-CE 3.9Å; V190-M237 HydrophobicContact CG2-CE 4.23Å; V190-M237 PolarHBondContact N-O 2.96Å; V190-M237 PolarHBondContact O-N 3.2Å
191I96Very high95.6Very high42 Ų4254.5 Ų54.522%0.21529%0.289CS..  trans-122.5-28175.266.6175.9000113I160 N189 L236 T244I160-I191 HydrophobicContact CD1-CD1 3.6Å; I160-I191 HydrophobicContact CD1-CG1 3.93Å; N189-I191 WeakPolarHBondContact ND2-CG2 3.38Å; I191-L236 HydrophobicContact CB-CD2 3.86Å; I191-L236 HydrophobicContact CG2-CD2 4.06Å; I191-T244 HydrophobicContact CD1-CG2 4.27Å
192S93.7Very high95.7Very high50 Ų5058.6 Ų58.635%0.3531%0.307SS..  trans-97.211.4-169.2-43.90000115.2E194S192-E194 VanDerWaalsContact C-N 3.34Å; S192-E194 PolarHBondContact O-N 2.97Å
193L97.3Very high96.1Very high6 Ų656.7 Ų56.73%0.03128%0.276CS..  trans-71.788.5177.9172.955000110.5V147 V151 K155 I157 L172 V190 Y234 C235 M237V147-L193 HydrophobicContact CG1-CD2 4Å; V151-L193 HydrophobicContact CG1-CD1 4.23Å; K155-L193 HydrophobicContact CD-CD1 4.41Å; I157-L193 HydrophobicContact CG2-CD1 3.87Å; I157-L193 HydrophobicContact CG2-CD2 4.49Å; L172-L193 HydrophobicContact CD1-CD2 4.39Å; V190-L193 HydrophobicContact CG1-CB 3.8Å; L193-Y234 CarbonylContact O-C 3.6Å; L193-Y234 WeakPolarHBondContact O-CA 3.34Å; L193-C235 HydrophobicContact CD2-CB 4.3Å; L193-C235 HydrophobicContact CG-CB 4.34Å; L193-C235 PolarHBondContact O-N 3.49Å; L193-M237 HydrophobicContact CD2-CE 3.61Å
194E97.3Very high96.4Very high27 Ų2748.5 Ų48.513%0.12624%0.24CC..BIsolated β-bridgetrans-73.3138.1165.2-131.2-75.4162.700109.4K155 S192 S196 N230 Q232 K233 Y234K155-E194 PolarHBondContact NZ-O 3.46Å; S192-E194 VanDerWaalsContact C-N 3.34Å; S192-E194 PolarHBondContact O-N 2.97Å; E194-S196 VanDerWaalsContact CD-OG 3.31Å; E194-S196 PolarHBondContact OE1-OG 3.27Å; E194-S196 WeakPolarHBondContact OE2-CB 3.25Å; E194-S196 PolarHBondContact OE2-N 2.89Å; E194-S196 PolarHBondContact OE2-OG 2.98Å; E194-S196 VanDerWaalsContact OE2-OG 3.1Å; E194-N230 WeakPolarHBondContact CG-O 3.4Å; E194-Q232 PolarHBondContact OE1-N 3.39Å; E194-K233 WeakPolarHBondContact CA-O 3.46Å; E194-K233 PolarHBondContact OE1-N 3.06Å; E194-Y234 HydrophobicContact CB-CD1 3.91Å; E194-Y234 HydrophobicContact CB-CE1 3.64Å; E194-Y234 HydrophobicContact CG-CD1 3.84Å; E194-Y234 HydrophobicContact CG-CE1 3.49Å; E194-Y234 VanDerWaalsContact CG-CE1 3.49Å; E194-Y234 HydrophobicContact CG-CE2 4.47Å; E194-Y234 HydrophobicContact CG-CG 4.46Å
195F97.8Very high96.6Very high0 Ų047.7 Ų47.70%024%0.24CC..  trans-135.911.1-171.369.8-97.8000114.2V151 D197 T198 L200 V204 K233 Y234 C235 F330V151-F195 HydrophobicContact CG2-CB 4.42Å; F195-D197 WeakPolarHBondContact CA-OD1 3.4Å; F195-D197 PolarHBondContact O-N 3.37Å; F195-T198 HydrophobicContact CB-CG2 4.37Å; F195-T198 PolarHBondContact O-N 3.32Å; F195-T198 PolarHBondContact O-OG1 3.47Å; F195-L200 HydrophobicContact CB-CB 4.4Å; F195-L200 HydrophobicContact CB-CD2 4.31Å; F195-L200 HydrophobicContact CD1-CD2 4.2Å; F195-L200 HydrophobicContact CD2-CB 3.59Å; F195-L200 HydrophobicContact CD2-CD2 3.89Å; F195-L200 HydrophobicContact CD2-CG 3.53Å; F195-L200 HydrophobicContact CE2-CB 4.15Å; F195-L200 HydrophobicContact CE2-CD2 4.22Å; F195-L200 HydrophobicContact CE2-CG 3.68Å; F195-L200 HydrophobicContact CG-CB 4.2Å; F195-L200 HydrophobicContact CG-CD2 3.88Å; F195-L200 HydrophobicContact CG-CG 4.07Å; F195-L200 HydrophobicContact CZ-CG 4.32Å; F195-V204 HydrophobicContact CE2-CB 3.85Å; F195-V204 HydrophobicContact CE2-CG1 4.43Å; F195-V204 HydrophobicContact CE2-CG2 3.92Å; F195-V204 HydrophobicContact CZ-CB 3.8Å; F195-V204 HydrophobicContact CZ-CG1 3.95Å; F195-V204 HydrophobicContact CZ-CG2 3.74Å; F195-K233 HydrophobicContact CD1-CB 4.28Å; F195-K233 WeakPolarHBondContact CD1-O 3.3Å; F195-K233 HydrophobicContact CD2-CB 4.31Å; F195-K233 VanDerWaalsContact CE1-C 3.49Å; F195-K233 HydrophobicContact CE1-CB 3.88Å; F195-K233 VanDerWaalsContact CE1-O 3.3Å; F195-K233 WeakPolarHBondContact CE1-O 3.43Å; F195-K233 HydrophobicContact CE2-CB 3.92Å; F195-K233 HydrophobicContact CE2-CD 4.1Å; F195-K233 HydrophobicContact CG-CB 4.49Å; F195-K233 HydrophobicContact CZ-CB 3.68Å; F195-K233 HydrophobicContact CZ-CD 4.49Å; F195-K233 PolarHBondContact N-O 3.11Å; F195-K233 VanDerWaalsContact N-O 3.11Å; F195-Y234 VanDerWaalsContact CE1-C 3.47Å; F195-C235 HydrophobicContact CD1-CB 3.6Å; F195-C235 HydrophobicContact CE1-CB 3.77Å; F195-F330 AromaticContact CE1-CD1 3.66Å; F195-F330 HydrophobicContact CE1-CD1 3.66Å; F195-F330 AromaticContact CE1-CE1 3.76Å; F195-F330 HydrophobicContact CE1-CE1 3.76Å; F195-F330 AromaticContact CZ-CD1 3.62Å; F195-F330 HydrophobicContact CZ-CD1 3.62Å; F195-F330 AromaticContact CZ-CE1 3.66Å; F195-F330 HydrophobicContact CZ-CE1 3.66Å
196S96.3Very high97Very high29 Ų2940.4 Ų40.420%0.20321%0.207CC..THydrogen-bonded Turntrans-57.4-29.3177.8-67.40000112.6E194 T198 S201 K233E194-S196 VanDerWaalsContact CD-OG 3.31Å; E194-S196 PolarHBondContact OE1-OG 3.27Å; E194-S196 WeakPolarHBondContact OE2-CB 3.25Å; E194-S196 PolarHBondContact OE2-N 2.89Å; E194-S196 PolarHBondContact OE2-OG 2.98Å; E194-S196 VanDerWaalsContact OE2-OG 3.1Å; S196-T198 VanDerWaalsContact C-N 3.34Å; S196-S201 VanDerWaalsContact O-CB 3.3Å; S196-S201 WeakPolarHBondContact O-CB 3.32Å; S196-S201 PolarHBondContact O-OG 2.83Å; S196-S201 VanDerWaalsContact O-OG 3.14Å; S196-K233 WeakPolarHBondContact OG-CB 3.04Å
197D95Very high97.3Very high115 Ų11538.4 Ų38.462%0.61520%0.198SC*.THydrogen-bonded Turntrans-74.6-13.217467.1-37.6000114.6K155 F195K155-D197 IonicContact NZ-OD1 2.63Å; K155-D197 PolarHBondContact NZ-OD1 3.4Å; K155-D197 IonicContact NZ-OD2 3.63Å; K155-D197 PolarHBondContact NZ-OD2 3.3Å; F195-D197 WeakPolarHBondContact CA-OD1 3.4Å; F195-D197 PolarHBondContact O-N 3.37Å
198T97.6Very high97.4Very high19 Ų1942.4 Ų42.412%0.11721%0.212CC..SBendtrans-107.1170.5-170.975.10000114.1V151 K155 F195 S196 L200 S201V151-T198 HydrophobicContact CB-CG2 4.46Å; V151-T198 HydrophobicContact CG1-CG2 4.19Å; V151-T198 HydrophobicContact CG2-CG2 4.33Å; K155-T198 HydrophobicContact CD-CG2 4.49Å; F195-T198 HydrophobicContact CB-CG2 4.37Å; F195-T198 PolarHBondContact O-N 3.32Å; F195-T198 PolarHBondContact O-OG1 3.47Å; S196-T198 VanDerWaalsContact C-N 3.34Å; T198-L200 PolarHBondContact O-N 3.31Å; T198-L200 VanDerWaalsContact O-N 3.13Å; T198-L200 WeakPolarHBondContact OG1-CB 3.45Å; T198-L200 PolarHBondContact OG1-N 3.32Å; T198-S201 WeakPolarHBondContact O-CB 3.36Å; T198-S201 PolarHBondContact O-N 3.12Å
199R97.8Very high97.4Very high185 Ų18542.4 Ų42.470%0.69821%0.211SC*.G310 helixtrans-62.2-18.8173-58.5178.1179.3175.4-0.2113.2Y150 S201 N202Y150-R199 HydrophobicContact CD1-CB 4Å; R199-S201 VanDerWaalsContact C-N 3.25Å; R199-S201 PolarHBondContact O-N 3.46Å; R199-N202 PolarHBondContact O-N 3.33Å
200L98.1Very high97.4Very high0 Ų042.3 Ų42.30%021%0.211CC..G310 helixtrans-67.8-26.4173.9-172.755.4000112F142 V147 V151 F195 T198 N202 L203 C235 F330F142-L200 HydrophobicContact CE1-CD1 4.22Å; F142-L200 HydrophobicContact CE2-CD1 4.35Å; F142-L200 HydrophobicContact CZ-CD1 3.56Å; V147-L200 HydrophobicContact CG1-CD2 4.23Å; V151-L200 HydrophobicContact CG2-CB 4.12Å; V151-L200 HydrophobicContact CG2-CD2 3.84Å; F195-L200 HydrophobicContact CB-CB 4.4Å; F195-L200 HydrophobicContact CB-CD2 4.31Å; F195-L200 HydrophobicContact CD1-CD2 4.2Å; F195-L200 HydrophobicContact CD2-CB 3.59Å; F195-L200 HydrophobicContact CD2-CD2 3.89Å; F195-L200 HydrophobicContact CD2-CG 3.53Å; F195-L200 HydrophobicContact CE2-CB 4.15Å; F195-L200 HydrophobicContact CE2-CD2 4.22Å; F195-L200 HydrophobicContact CE2-CG 3.68Å; F195-L200 HydrophobicContact CG-CB 4.2Å; F195-L200 HydrophobicContact CG-CD2 3.88Å; F195-L200 HydrophobicContact CG-CG 4.07Å; F195-L200 HydrophobicContact CZ-CG 4.32Å; T198-L200 PolarHBondContact O-N 3.31Å; T198-L200 VanDerWaalsContact O-N 3.13Å; T198-L200 WeakPolarHBondContact OG1-CB 3.45Å; T198-L200 PolarHBondContact OG1-N 3.32Å; L200-N202 PolarHBondContact O-N 2.94Å; L200-L203 HydrophobicContact CD1-CB 4.4Å; L200-L203 HydrophobicContact CD1-CD1 4.1Å; L200-L203 PolarHBondContact O-N 3.26Å; L200-C235 HydrophobicContact CD2-CB 4.43Å; L200-F330 HydrophobicContact CD2-CE1 4.24Å
201S97.8Very high97.4Very high19 Ų1945.5 Ų45.513%0.13322%0.223CC..G310 helixtrans-55.6-33.7176.5-166.70000112S196 T198 R199 L203 V204 K233S196-S201 VanDerWaalsContact O-CB 3.3Å; S196-S201 WeakPolarHBondContact O-CB 3.32Å; S196-S201 PolarHBondContact O-OG 2.83Å; S196-S201 VanDerWaalsContact O-OG 3.14Å; T198-S201 WeakPolarHBondContact O-CB 3.36Å; T198-S201 PolarHBondContact O-N 3.12Å; R199-S201 VanDerWaalsContact C-N 3.25Å; R199-S201 PolarHBondContact O-N 3.46Å; S201-L203 VanDerWaalsContact C-N 3.26Å; S201-L203 PolarHBondContact O-N 3.35Å; S201-V204 PolarHBondContact O-N 3.15Å; S201-K233 PolarHBondContact O-NZ 3.12Å; S201-K233 PolarHBondContact OG-NZ 3.31Å
202N97.6Very high97.5Very high136 Ų13648.9 Ų48.973%0.72724%0.236SC*.G310 helixtrans-70.8-16.1179.5-59.6-33.3000114.1R199 L200R199-N202 PolarHBondContact O-N 3.33Å; L200-N202 PolarHBondContact O-N 2.94Å
203L97.9Very high97.7Very high48 Ų4847.5 Ų47.525%0.25123%0.225SC..G310 helixtrans-98-9.3178.8-57.3-174.3000113.2L137 F142 Y150 L200 S201L137-L203 CarbonylContact C-O 3.55Å; L137-L203 WeakPolarHBondContact CA-O 3.19Å; F142-L203 HydrophobicContact CE2-CD1 3.95Å; Y150-L203 HydrophobicContact CD1-CD1 4.2Å; Y150-L203 HydrophobicContact CD2-CD1 4.03Å; Y150-L203 HydrophobicContact CE1-CD1 3.94Å; Y150-L203 HydrophobicContact CE1-CG 4.43Å; Y150-L203 HydrophobicContact CE2-CD1 3.76Å; Y150-L203 HydrophobicContact CG-CD1 4.27Å; L200-L203 HydrophobicContact CD1-CB 4.4Å; L200-L203 HydrophobicContact CD1-CD1 4.1Å; L200-L203 PolarHBondContact O-N 3.26Å; S201-L203 VanDerWaalsContact C-N 3.26Å; S201-L203 PolarHBondContact O-N 3.35Å
204V98.2Very high97.7Very high2 Ų247.3 Ų47.31%0.01222%0.224CC..  trans-128116.8-172.8176.70000110.6T136 L137 F195 S201 K233 W256 F330T136-V204 WeakPolarHBondContact O-CA 3.46Å; L137-V204 HydrophobicContact CD2-CB 4.41Å; L137-V204 HydrophobicContact CD2-CG1 3.81Å; L137-V204 HydrophobicContact CD2-CG2 4.03Å; F195-V204 HydrophobicContact CE2-CB 3.85Å; F195-V204 HydrophobicContact CE2-CG1 4.43Å; F195-V204 HydrophobicContact CE2-CG2 3.92Å; F195-V204 HydrophobicContact CZ-CB 3.8Å; F195-V204 HydrophobicContact CZ-CG1 3.95Å; F195-V204 HydrophobicContact CZ-CG2 3.74Å; S201-V204 PolarHBondContact O-N 3.15Å; V204-K233 VanDerWaalsContact O-CE 3.28Å; V204-K233 WeakPolarHBondContact O-CE 3.24Å; V204-K233 PolarHBondContact O-NZ 3.01Å; V204-W256 HydrophobicContact CG1-CH2 4.3Å; V204-F330 HydrophobicContact CG2-CD1 3.89Å; V204-F330 HydrophobicContact CG2-CE1 3.8Å; V204-F330 HydrophobicContact CG2-CZ 4.38Å
205E98.1Very high97.8Very high68 Ų6846.2 Ų46.232%0.31822%0.219SC..BIsolated β-bridgetrans-117.2125.8172.1-177.968.516600109M135 T136 R211M135-E205 CarbonylContact C-O 3.55Å; M135-E205 VanDerWaalsContact CA-O 3.29Å; M135-E205 WeakPolarHBondContact CA-O 3.44Å; M135-E205 WeakPolarHBondContact CB-O 3.44Å; T136-E205 PolarHBondContact N-O 3.4Å; T136-E205 PolarHBondContact O-N 3.23Å; E205-R211 WeakPolarHBondContact OE1-CD 3.29Å; E205-R211 IonicContact OE1-CZ 2.7Å; E205-R211 IonicContact OE1-NE 3.97Å; E205-R211 PolarHBondContact OE1-NE 3.25Å; E205-R211 IonicContact OE1-NH1 3.49Å; E205-R211 PolarHBondContact OE1-NH1 2.82Å; E205-R211 IonicContact OE1-NH2 2.64Å
206T98.2Very high97.8Very high5 Ų546.4 Ų46.43%0.03122%0.22CC..  trans-70.2157.9-172.168.20000111.3K208 R211 Q232 K233 W256T206-K208 PolarHBondContact O-N 3.43Å; T206-R211 PolarHBondContact O-NE 3.18Å; T206-R211 PolarHBondContact O-NH2 3.21Å; T206-R211 VanDerWaalsContact OG1-CG 3.23Å; T206-R211 WeakPolarHBondContact OG1-CG 3.26Å; T206-Q232 HydrophobicContact CG2-CB 4.44Å; T206-Q232 WeakPolarHBondContact CG2-O 2.86Å; T206-K233 HydrophobicContact CG2-CG 4.16Å; T206-W256 HydrophobicContact CG2-CZ2 3.71Å
207P98.6Very high97.7Very high0 Ų048.7 Ų48.70%023%0.228CC..  trans-53.1140.7-177.3-24.932.6000112.5M135 I209 V210 R211 W256 F312M135-P207 HydrophobicContact CB-CG 4.43Å; M135-P207 HydrophobicContact CE-CG 3.83Å; P207-I209 HydrophobicContact CB-CG2 4.19Å; P207-I209 PolarHBondContact O-N 2.87Å; P207-I209 VanDerWaalsContact O-N 3.07Å; P207-V210 HydrophobicContact CB-CB 4.48Å; P207-V210 HydrophobicContact CB-CG2 3.97Å; P207-V210 HydrophobicContact CG-CG2 4.04Å; P207-V210 WeakPolarHBondContact O-CA 3.23Å; P207-V210 WeakPolarHBondContact O-CB 3.37Å; P207-V210 PolarHBondContact O-N 3.08Å; P207-R211 PolarHBondContact O-N 3.32Å; P207-W256 VanDerWaalsContact CD-CD2 3.46Å; P207-W256 HydrophobicContact CG-CB 4.18Å; P207-W256 HydrophobicContact CG-CD2 3.87Å; P207-W256 HydrophobicContact CG-CE3 3.84Å; P207-W256 HydrophobicContact CG-CG 4.02Å; P207-F312 HydrophobicContact CB-CE1 4Å; P207-F312 HydrophobicContact CB-CZ 3.98Å; P207-F312 HydrophobicContact CG-CE1 3.9Å; P207-F312 HydrophobicContact CG-CZ 3.94Å
208K98.3Very high97.8Very high127 Ų12747.8 Ų47.855%0.55222%0.223SC*.Hα-helixtrans-57-30.5-177.2-174.6171.8-177.51740112.8L133 T206 K212L133-K208 WeakPolarHBondContact O-CB 3.23Å; L133-K208 PolarHBondContact O-N 3.32Å; T206-K208 PolarHBondContact O-N 3.43Å; K208-K212 WeakPolarHBondContact O-CB 3.3Å; K208-K212 WeakPolarHBondContact O-CG 3.39Å; K208-K212 PolarHBondContact O-N 3.46Å; K208-K212 VanDerWaalsContact O-N 3.08Å
209I98.1Very high97.8Very high11 Ų1148.5 Ų48.56%0.05623%0.226CC..Hα-helixtrans-71.5-30.8175.4-166.256.6000113.4L111 V113 L116 P207 L213 F312L111-I209 HydrophobicContact CD2-CG2 4.03Å; L111-I209 HydrophobicContact CG-CB 4.46Å; L111-I209 HydrophobicContact CG-CG1 4.33Å; L111-I209 HydrophobicContact CG-CG2 4.13Å; V113-I209 HydrophobicContact CB-CD1 4.46Å; V113-I209 HydrophobicContact CG2-CD1 3.68Å; L116-I209 HydrophobicContact CD1-CD1 3.95Å; L116-I209 HydrophobicContact CD1-CG1 3.63Å; P207-I209 HydrophobicContact CB-CG2 4.19Å; P207-I209 PolarHBondContact O-N 2.87Å; P207-I209 VanDerWaalsContact O-N 3.07Å; I209-L213 HydrophobicContact CD1-CD1 4.13Å; I209-L213 HydrophobicContact CD1-CG 4.38Å; I209-L213 HydrophobicContact CG1-CD1 4.15Å; I209-L213 WeakPolarHBondContact O-CB 3.38Å; I209-L213 WeakPolarHBondContact O-CG 3.33Å; I209-L213 PolarHBondContact O-N 2.8Å; I209-F312 HydrophobicContact CG2-CE1 3.94Å; I209-F312 HydrophobicContact CG2-CZ 4.23Å
210V98.3Very high97.7Very high0 Ų040.5 Ų40.50%020%0.196CC..Hα-helixtrans-68.4-52175.3173.70000109.2P207 K212 L213 S214 W256 F312 F334P207-V210 HydrophobicContact CB-CB 4.48Å; P207-V210 HydrophobicContact CB-CG2 3.97Å; P207-V210 HydrophobicContact CG-CG2 4.04Å; P207-V210 WeakPolarHBondContact O-CA 3.23Å; P207-V210 WeakPolarHBondContact O-CB 3.37Å; P207-V210 PolarHBondContact O-N 3.08Å; V210-K212 VanDerWaalsContact C-N 3.29Å; V210-K212 PolarHBondContact O-N 2.93Å; V210-L213 PolarHBondContact O-N 3.12Å; V210-S214 VanDerWaalsContact O-CB 3.28Å; V210-S214 WeakPolarHBondContact O-CB 3.26Å; V210-S214 PolarHBondContact O-N 2.85Å; V210-W256 HydrophobicContact CG2-CB 3.89Å; V210-W256 HydrophobicContact CG2-CG 3.89Å; V210-F312 HydrophobicContact CG2-CE1 4.04Å; V210-F334 HydrophobicContact CG1-CB 4.07Å; V210-F334 HydrophobicContact CG1-CD1 3.81Å; V210-F334 HydrophobicContact CG1-CD2 4.16Å; V210-F334 HydrophobicContact CG1-CE1 4.29Å; V210-F334 HydrophobicContact CG1-CG 3.78Å; V210-F334 HydrophobicContact CG2-CD1 4.17Å; V210-F334 HydrophobicContact CG2-CE1 3.79Å; V210-F334 HydrophobicContact CG2-CE2 4.39Å; V210-F334 HydrophobicContact CG2-CZ 3.91Å
211R97.6Very high97.5Very high66 Ų6642.8 Ų42.825%0.24921%0.21CC..Hα-helixtrans-61.1-34.7177.6-68.9176.2-72.8144.4-10.9112.9G134 E205 T206 P207 L213 E217 N218G134-R211 PolarHBondContact O-NH2 2.84Å; E205-R211 WeakPolarHBondContact OE1-CD 3.29Å; E205-R211 IonicContact OE1-CZ 2.7Å; E205-R211 IonicContact OE1-NE 3.97Å; E205-R211 PolarHBondContact OE1-NE 3.25Å; E205-R211 IonicContact OE1-NH1 3.49Å; E205-R211 PolarHBondContact OE1-NH1 2.82Å; E205-R211 IonicContact OE1-NH2 2.64Å; T206-R211 PolarHBondContact O-NE 3.18Å; T206-R211 PolarHBondContact O-NH2 3.21Å; T206-R211 VanDerWaalsContact OG1-CG 3.23Å; T206-R211 WeakPolarHBondContact OG1-CG 3.26Å; P207-R211 PolarHBondContact O-N 3.32Å; R211-L213 VanDerWaalsContact C-N 3.3Å; R211-L213 PolarHBondContact O-N 3.19Å; R211-E217 HydrophobicContact CB-CG 4.33Å; R211-E217 HydrophobicContact CG-CG 4.31Å; R211-N218 PolarHBondContact O-ND2 2.88Å
212K97.8Very high97.1Very high113 Ų11351 Ų5149%0.49125%0.246SC..Hα-helixtrans-67.2-20.7172.8-89.4-162.5168.9-1610115.2V113 K208 V210V113-K212 HydrophobicContact CG2-CB 4.07Å; V113-K212 HydrophobicContact CG2-CD 3.64Å; K208-K212 WeakPolarHBondContact O-CB 3.3Å; K208-K212 WeakPolarHBondContact O-CG 3.39Å; K208-K212 PolarHBondContact O-N 3.46Å; K208-K212 VanDerWaalsContact O-N 3.08Å; V210-K212 VanDerWaalsContact C-N 3.29Å; V210-K212 PolarHBondContact O-N 2.93Å
213L97.8Very high96.5Very high22 Ų2253.8 Ų53.812%0.11526%0.255CS..Hα-helixtrans-115.8-24.4-172.9-70.4179.9000114.1V113 L116 I209 V210 R211 W215 F334 H336 L338V113-L213 HydrophobicContact CG1-CD2 4.34Å; V113-L213 HydrophobicContact CG2-CD2 4.22Å; L116-L213 HydrophobicContact CD1-CD1 3.75Å; I209-L213 HydrophobicContact CD1-CD1 4.13Å; I209-L213 HydrophobicContact CD1-CG 4.38Å; I209-L213 HydrophobicContact CG1-CD1 4.15Å; I209-L213 WeakPolarHBondContact O-CB 3.38Å; I209-L213 WeakPolarHBondContact O-CG 3.33Å; I209-L213 PolarHBondContact O-N 2.8Å; V210-L213 PolarHBondContact O-N 3.12Å; R211-L213 VanDerWaalsContact C-N 3.3Å; R211-L213 PolarHBondContact O-N 3.19Å; L213-W215 PolarHBondContact O-N 3.05Å; L213-F334 HydrophobicContact CB-CD2 4.34Å; L213-F334 HydrophobicContact CB-CE2 4.15Å; L213-F334 HydrophobicContact CD1-CE2 4.45Å; L213-H336 HydrophobicContact CB-CB 3.97Å; L213-H336 WeakPolarHBondContact O-CB 3.48Å; L213-L338 HydrophobicContact CD1-CD1 4.07Å; L213-L338 HydrophobicContact CD2-CD1 4.5Å
214S98.4Very high96Very high2 Ų252.7 Ų52.71%0.01425%0.251CS..  trans-60.2120-176.7175.70000111.5V210 E217 N218 Q232 L335V210-S214 VanDerWaalsContact O-CB 3.28Å; V210-S214 WeakPolarHBondContact O-CB 3.26Å; V210-S214 PolarHBondContact O-N 2.85Å; S214-E217 PolarHBondContact O-N 2.91Å; S214-E217 PolarHBondContact OG-N 2.9Å; S214-N218 PolarHBondContact O-N 3.02Å; S214-N218 PolarHBondContact O-ND2 3.32Å; S214-Q232 PolarHBondContact OG-OE1 3.37Å; S214-L335 WeakPolarHBondContact CA-O 3.43Å
215W98.4Very high95.7Very high3 Ų358.6 Ų58.61%0.01129%0.287CS..Hα-helixtrans-59.6-45175.7-71.1-13.5000112.6L213 E217 N218 L219 L335 H336 S337 I340 I367 V371L213-W215 PolarHBondContact O-N 3.05Å; W215-E217 VanDerWaalsContact C-N 3.26Å; W215-E217 PolarHBondContact O-N 2.73Å; W215-N218 PolarHBondContact O-N 3.18Å; W215-L219 HydrophobicContact CB-CD1 4.49Å; W215-L219 WeakPolarHBondContact O-CA 3.11Å; W215-L219 VanDerWaalsContact O-CB 3.23Å; W215-L219 WeakPolarHBondContact O-CB 3.31Å; W215-L219 PolarHBondContact O-N 2.99Å; W215-L335 HydrophobicContact CB-CB 4.31Å; W215-L335 HydrophobicContact CD2-CB 3.62Å; W215-L335 HydrophobicContact CE3-CB 3.3Å; W215-L335 HydrophobicContact CE3-CD1 3.65Å; W215-L335 HydrophobicContact CE3-CG 4.08Å; W215-L335 HydrophobicContact CG-CB 4.07Å; W215-L335 HydrophobicContact CZ3-CB 3.85Å; W215-L335 HydrophobicContact CZ3-CD1 3.87Å; W215-L335 HydrophobicContact CZ3-CG 4.35Å; W215-L335 PolarHBondContact N-O 3.45Å; W215-H336 VanDerWaalsContact NE1-C 3.26Å; W215-S337 VanDerWaalsContact NE1-N 3.16Å; W215-S337 PolarHBondContact NE1-OG 3.22Å; W215-I340 HydrophobicContact CH2-CG2 4.03Å; W215-I340 HydrophobicContact CZ2-CD1 4.03Å; W215-I340 HydrophobicContact CZ2-CG1 3.97Å; W215-I340 HydrophobicContact CZ2-CG2 4.21Å; W215-I367 HydrophobicContact CB-CD1 3.96Å; W215-I367 HydrophobicContact CB-CG1 3.71Å; W215-I367 HydrophobicContact CE3-CG1 4.08Å; W215-I367 HydrophobicContact CE3-CG2 4.36Å; W215-V371 HydrophobicContact CB-CG2 3.94Å; W215-V371 HydrophobicContact CD2-CB 4.39Å; W215-V371 HydrophobicContact CD2-CG1 4.31Å; W215-V371 HydrophobicContact CD2-CG2 3.32Å; W215-V371 HydrophobicContact CE3-CG2 3.63Å; W215-V371 HydrophobicContact CG-CG2 3.49Å; W215-V371 VanDerWaalsContact CG-CG2 3.49Å; W215-V371 HydrophobicContact CH2-CG1 4.34Å; W215-V371 HydrophobicContact CZ2-CG1 3.8Å; W215-V371 HydrophobicContact CZ2-CG2 4.29Å; W215-V371 HydrophobicContact CZ3-CG2 4.25Å
216V97.3Very high95.4Very high5 Ų557.8 Ų57.83%0.0328%0.283CS..Hα-helixtrans-61.4-40.4179.8-179.60000110.3N218 W220 R228 P229 F361V216-N218 PolarHBondContact O-N 2.78Å; V216-W220 HydrophobicContact CG1-CB 4.04Å; V216-W220 HydrophobicContact CG1-CG 4.38Å; V216-W220 WeakPolarHBondContact O-CB 3.26Å; V216-W220 PolarHBondContact O-N 3.35Å; V216-R228 HydrophobicContact CG1-CG 3.71Å; V216-P229 HydrophobicContact CG2-CB 4.26Å; V216-P229 HydrophobicContact CG2-CG 4.37Å; V216-F361 HydrophobicContact CG2-CE1 4.44Å; V216-F361 HydrophobicContact CG2-CZ 3.85Å
217E95.6Very high95.2Very high77 Ų7764.7 Ų64.736%0.3632%0.315SS..Hα-helixtrans-69.2-32.9-176.6-157.860.3-157.500113.7R211 S214 W215 R228 Q232R211-E217 HydrophobicContact CB-CG 4.33Å; R211-E217 HydrophobicContact CG-CG 4.31Å; S214-E217 PolarHBondContact O-N 2.91Å; S214-E217 PolarHBondContact OG-N 2.9Å; W215-E217 VanDerWaalsContact C-N 3.26Å; W215-E217 PolarHBondContact O-N 2.73Å; E217-R228 VanDerWaalsContact CD-NH2 3.32Å; E217-R228 IonicContact OE1-NH2 3.79Å; E217-R228 IonicContact OE2-NH2 2.97Å; E217-R228 PolarHBondContact OE2-NH2 3.16Å; E217-Q232 PolarHBondContact OE2-NE2 2.94Å
218N97.1Very high95Very high96 Ų9668.7 Ų68.751%0.51333%0.33SS..Hα-helixtrans-103.3-19-174.3-65.7-94.9000113.8R211 S214 W215 V216R211-N218 PolarHBondContact O-ND2 2.88Å; S214-N218 PolarHBondContact O-N 3.02Å; S214-N218 PolarHBondContact O-ND2 3.32Å; W215-N218 PolarHBondContact O-N 3.18Å; V216-N218 PolarHBondContact O-N 2.78Å
219L96.8Very high94.9Very high33 Ų3362.8 Ų62.817%0.17331%0.305CS..Hα-helixtrans-134.8-6.8-163.8-50.2173.1000115.1W215 P221 I367 V371 H374W215-L219 HydrophobicContact CB-CD1 4.49Å; W215-L219 WeakPolarHBondContact O-CA 3.11Å; W215-L219 VanDerWaalsContact O-CB 3.23Å; W215-L219 WeakPolarHBondContact O-CB 3.31Å; W215-L219 PolarHBondContact O-N 2.99Å; L219-P221 WeakPolarHBondContact O-CD 3.42Å; L219-I367 HydrophobicContact CB-CD1 4.28Å; L219-V371 HydrophobicContact CD1-CB 4.41Å; L219-V371 HydrophobicContact CD1-CG2 3.66Å; L219-H374 HydrophobicContact CD1-CB 4.37Å; L219-H374 HydrophobicContact CD2-CB 3.92Å; L219-H374 VanDerWaalsContact CD2-CG 3.49Å; L219-H374 WeakPolarHBondContact CD2-ND1 3.46Å
220W96.3Very high94.7Very high18 Ų1866 Ų667%0.06832%0.322CS..  trans-80118.6175-165-81.6000110.2V216 F226 E227 R228 P229 N363 T366 I367V216-W220 HydrophobicContact CG1-CB 4.04Å; V216-W220 HydrophobicContact CG1-CG 4.38Å; V216-W220 WeakPolarHBondContact O-CB 3.26Å; V216-W220 PolarHBondContact O-N 3.35Å; W220-F226 HydrophobicContact CH2-CB 3.95Å; W220-F226 HydrophobicContact CZ2-CB 3.64Å; W220-F226 WeakPolarHBondContact CZ2-O 3.43Å; W220-E227 WeakPolarHBondContact CZ2-O 3.43Å; W220-R228 HydrophobicContact CG-CB 4.5Å; W220-R228 HydrophobicContact CG-CG 4.17Å; W220-P229 HydrophobicContact CE3-CG 4.14Å; W220-P229 HydrophobicContact CH2-CG 4.05Å; W220-P229 HydrophobicContact CZ3-CG 3.75Å; W220-N363 HydrophobicContact CH2-CB 3.62Å; W220-N363 HydrophobicContact CZ3-CB 4.15Å; W220-T366 HydrophobicContact CH2-CG2 3.93Å; W220-T366 HydrophobicContact CZ3-CG2 4.36Å; W220-I367 HydrophobicContact CE3-CB 4.13Å; W220-I367 HydrophobicContact CE3-CD1 4.09Å; W220-I367 HydrophobicContact CE3-CG1 4.49Å; W220-I367 HydrophobicContact CZ3-CB 3.96Å
221P94.1Very high94.6Very high48 Ų4866.2 Ų66.231%0.31232%0.323SS..  trans-68.8145.1180-18.232.8000112.2L219 S224 Y370L219-P221 WeakPolarHBondContact O-CD 3.42Å; P221-S224 WeakPolarHBondContact O-CB 3.01Å; P221-S224 PolarHBondContact O-N 3.14Å; P221-Y370 HydrophobicContact CG-CD1 4.13Å; P221-Y370 HydrophobicContact CG-CE1 3.61Å; P221-Y370 HydrophobicContact CG-CE2 4.15Å
222E88.4Confident94.5Very high190 Ų19064 Ų6489%0.88832%0.316SS*.THydrogen-bonded Turntrans-67.6-40.8173.6-62.3179.1167.400111.2S224E222-S224 PolarHBondContact O-N 2.91Å
223E86.1Confident94.5Very high196 Ų19659.9 Ų59.992%0.91630%0.298SS*.THydrogen-bonded Turntrans-78.529.6173.6-56.1179.8155.600113.1
224S87.8Confident94.6Very high24 Ų2460.5 Ų60.517%0.16830%0.299CS..  trans-76.7131.3176.91740000111.1P221 E222 F226P221-S224 WeakPolarHBondContact O-CB 3.01Å; P221-S224 PolarHBondContact O-N 3.14Å; E222-S224 PolarHBondContact O-N 2.91Å; S224-F226 WeakPolarHBondContact CB-O 3.39Å; S224-F226 PolarHBondContact O-N 3.18Å; S224-F226 PolarHBondContact OG-N 3.24Å; S224-F226 VanDerWaalsContact OG-N 3.12Å; S224-F226 PolarHBondContact OG-O 2.91Å
225V90.9Very high94.6Very high127 Ų12760.4 Ų60.477%0.7730%0.298SS*.SBendtrans-66.3-28.8170.4-176.70000111.4
226F92.8Very high94.6Very high50 Ų5061.1 Ų61.122%0.21930%0.302CS..SBendtrans-83.4141.8174.9-57.1-88.6000110.9W220 S224 T366 D418W220-F226 HydrophobicContact CH2-CB 3.95Å; W220-F226 HydrophobicContact CZ2-CB 3.64Å; W220-F226 WeakPolarHBondContact CZ2-O 3.43Å; S224-F226 WeakPolarHBondContact CB-O 3.39Å; S224-F226 PolarHBondContact O-N 3.18Å; S224-F226 PolarHBondContact OG-N 3.24Å; S224-F226 VanDerWaalsContact OG-N 3.12Å; S224-F226 PolarHBondContact OG-O 2.91Å; F226-T366 HydrophobicContact CB-CG2 4.24Å; F226-T366 HydrophobicContact CD1-CG2 4.33Å; F226-T366 HydrophobicContact CD2-CG2 3.57Å; F226-T366 HydrophobicContact CE2-CG2 3.97Å; F226-T366 HydrophobicContact CG-CG2 3.78Å; F226-T366 HydrophobicContact CZ-CG2 4.5Å; F226-D418 WeakPolarHBondContact CE1-O 3.4Å; F226-D418 WeakPolarHBondContact CZ-O 3.42Å
227E92.6Very high94.7Very high151 Ų15160.9 Ų60.971%0.70630%0.301SS*.PPolyproline II helixtrans-63138.1174.8-173.9175.1-174.200112W220 P229 N363W220-E227 WeakPolarHBondContact CZ2-O 3.43Å; E227-P229 WeakPolarHBondContact O-CD 3.3Å; E227-N363 PolarHBondContact O-ND2 3.19Å
228R94.7Very high94.8Very high83 Ų8357.2 Ų57.231%0.31328%0.284SS..PPolyproline II helixtrans-67.2122.4178.9-177.4178.9177.5129.9-8.5110.4V216 E217 W220 N230V216-R228 HydrophobicContact CG1-CG 3.71Å; E217-R228 VanDerWaalsContact CD-NH2 3.32Å; E217-R228 IonicContact OE1-NH2 3.79Å; E217-R228 IonicContact OE2-NH2 2.97Å; E217-R228 PolarHBondContact OE2-NH2 3.16Å; W220-R228 HydrophobicContact CG-CB 4.5Å; W220-R228 HydrophobicContact CG-CG 4.17Å; R228-N230 PolarHBondContact O-N 2.83Å; R228-N230 PolarHBondContact O-ND2 3.36Å
229P95.8Very high94.9Very high4 Ų452.8 Ų52.83%0.02626%0.26CS..  trans-64.699.1-179.9-25.136.5000112.8V216 W220 E227 V231 F361 P362 N363V216-P229 HydrophobicContact CG2-CB 4.26Å; V216-P229 HydrophobicContact CG2-CG 4.37Å; W220-P229 HydrophobicContact CE3-CG 4.14Å; W220-P229 HydrophobicContact CH2-CG 4.05Å; W220-P229 HydrophobicContact CZ3-CG 3.75Å; E227-P229 WeakPolarHBondContact O-CD 3.3Å; P229-V231 PolarHBondContact O-N 3.49Å; P229-F361 HydrophobicContact CB-CE1 3.89Å; P229-F361 HydrophobicContact CB-CZ 4.01Å; P229-F361 HydrophobicContact CG-CE1 4.03Å; P229-P362 HydrophobicContact CB-CB 4.16Å; P229-P362 HydrophobicContact CG-CB 4.36Å; P229-P362 WeakPolarHBondContact CG-O 3.35Å; P229-N363 HydrophobicContact CG-CB 4.36Å
230N95.1Very high94.9Very high78 Ų7857.9 Ų57.942%0.41728%0.277SS..  trans-84.990.6177.2-67.6-43.7000109.6E194 R228E194-N230 WeakPolarHBondContact CG-O 3.4Å; R228-N230 PolarHBondContact O-N 2.83Å; R228-N230 PolarHBondContact O-ND2 3.36Å
231V96.3Very high95Very high5 Ų558.8 Ų58.83%0.0328%0.283CS..  trans-132.715.6-179.7-60.60000112.3P229 Y234 F250 N333 F361 P362P229-V231 PolarHBondContact O-N 3.49Å; V231-Y234 HydrophobicContact CB-CE2 4.22Å; V231-Y234 VanDerWaalsContact O-CE2 3.3Å; V231-Y234 WeakPolarHBondContact O-CE2 3.4Å; V231-F250 HydrophobicContact CB-CE2 3.97Å; V231-F250 HydrophobicContact CB-CZ 3.97Å; V231-F250 HydrophobicContact CG1-CE2 3.88Å; V231-F250 HydrophobicContact CG1-CZ 4.04Å; V231-F250 HydrophobicContact CG2-CE2 4.23Å; V231-N333 HydrophobicContact CB-CB 4.48Å; V231-N333 HydrophobicContact CG2-CB 4.37Å; V231-N333 PolarHBondContact O-N 3.1Å; V231-F361 HydrophobicContact CG2-CD2 4.46Å; V231-F361 HydrophobicContact CG2-CE2 3.74Å; V231-F361 HydrophobicContact CG2-CZ 4.26Å; V231-P362 HydrophobicContact CG1-CG 4.43Å
232Q95.2Very high95.2Very high19 Ų1956.5 Ų56.59%0.08927%0.268CS..SBendtrans-97.6-14.6-169.9-71.6-168.288.700114E194 T206 S214 E217 W256E194-Q232 PolarHBondContact OE1-N 3.39Å; T206-Q232 HydrophobicContact CG2-CB 4.44Å; T206-Q232 WeakPolarHBondContact CG2-O 2.86Å; S214-Q232 PolarHBondContact OG-OE1 3.37Å; E217-Q232 PolarHBondContact OE2-NE2 2.94Å; Q232-W256 PolarHBondContact O-NE1 2.88Å
233K98.3Very high95.7Very high27 Ų2747.4 Ų47.412%0.11723%0.226CC..  trans-135.288.3-176.4-57.3-171.6-173-172.10111.9E194 F195 S196 S201 V204 T206E194-K233 WeakPolarHBondContact CA-O 3.46Å; E194-K233 PolarHBondContact OE1-N 3.06Å; F195-K233 HydrophobicContact CD1-CB 4.28Å; F195-K233 WeakPolarHBondContact CD1-O 3.3Å; F195-K233 HydrophobicContact CD2-CB 4.31Å; F195-K233 VanDerWaalsContact CE1-C 3.49Å; F195-K233 HydrophobicContact CE1-CB 3.88Å; F195-K233 VanDerWaalsContact CE1-O 3.3Å; F195-K233 WeakPolarHBondContact CE1-O 3.43Å; F195-K233 HydrophobicContact CE2-CB 3.92Å; F195-K233 HydrophobicContact CE2-CD 4.1Å; F195-K233 HydrophobicContact CG-CB 4.49Å; F195-K233 HydrophobicContact CZ-CB 3.68Å; F195-K233 HydrophobicContact CZ-CD 4.49Å; F195-K233 PolarHBondContact N-O 3.11Å; F195-K233 VanDerWaalsContact N-O 3.11Å; S196-K233 WeakPolarHBondContact OG-CB 3.04Å; S201-K233 PolarHBondContact O-NZ 3.12Å; S201-K233 PolarHBondContact OG-NZ 3.31Å; V204-K233 VanDerWaalsContact O-CE 3.28Å; V204-K233 WeakPolarHBondContact O-CE 3.24Å; V204-K233 PolarHBondContact O-NZ 3.01Å; T206-K233 HydrophobicContact CG2-CG 4.16Å
234Y98.5Very high96.2Very high35 Ų3539.2 Ų39.214%0.13719%0.189CC..EExtended strand (participates in β ladder)trans-100.7137.5171.4-67.2-73.2000112.5L193 E194 F195 V231 F250 F330 G331L193-Y234 CarbonylContact O-C 3.6Å; L193-Y234 WeakPolarHBondContact O-CA 3.34Å; E194-Y234 HydrophobicContact CB-CD1 3.91Å; E194-Y234 HydrophobicContact CB-CE1 3.64Å; E194-Y234 HydrophobicContact CG-CD1 3.84Å; E194-Y234 HydrophobicContact CG-CE1 3.49Å; E194-Y234 VanDerWaalsContact CG-CE1 3.49Å; E194-Y234 HydrophobicContact CG-CE2 4.47Å; E194-Y234 HydrophobicContact CG-CG 4.46Å; F195-Y234 VanDerWaalsContact CE1-C 3.47Å; V231-Y234 HydrophobicContact CB-CE2 4.22Å; V231-Y234 VanDerWaalsContact O-CE2 3.3Å; V231-Y234 WeakPolarHBondContact O-CE2 3.4Å; Y234-F250 HydrophobicContact CE2-CZ 4.26Å; Y234-F330 WeakPolarHBondContact O-CA 3.2Å; Y234-G331 PolarHBondContact N-O 2.85Å; Y234-G331 PolarHBondContact O-N 2.83Å
235C98.6Very high96.7Very high0 Ų038.8 Ų38.80%019%0.185CC..EExtended strand (participates in β ladder)trans-108.3105.4174.6176.90000109.9L193 F195 L200 F330L193-C235 HydrophobicContact CD2-CB 4.3Å; L193-C235 HydrophobicContact CG-CB 4.34Å; L193-C235 PolarHBondContact O-N 3.49Å; F195-C235 HydrophobicContact CD1-CB 3.6Å; F195-C235 HydrophobicContact CE1-CB 3.77Å; L200-C235 HydrophobicContact CD2-CB 4.43Å; C235-F330 HydrophobicContact CB-CD1 4.4Å; C235-F330 HydrophobicContact CB-CE1 4.05Å
236L98.6Very high97Very high18 Ų1833 Ų339%0.09415%0.149CC..EExtended strand (participates in β ladder)trans-97.2121.6-173.5-54.899000110.7V190 I191 Y257 A329V190-L236 CarbonylContact O-C 3.55Å; V190-L236 WeakPolarHBondContact O-CA 3.38Å; I191-L236 HydrophobicContact CB-CD2 3.86Å; I191-L236 HydrophobicContact CG2-CD2 4.06Å; L236-Y257 HydrophobicContact CD1-CE2 4.04Å; L236-Y257 HydrophobicContact CD2-CE2 3.74Å; L236-Y257 HydrophobicContact CG-CE2 4.48Å; L236-A329 HydrophobicContact CB-CB 4.39Å; L236-A329 PolarHBondContact N-O 2.83Å; L236-A329 PolarHBondContact O-N 2.61Å
237M98.6Very high97.2Very high0 Ų033.3 Ų33.30%015%0.151CC..EExtended strand (participates in β ladder)trans-124.6105.6-176.1-58.1176-68.800109V144 V147 L172 F175 V190 L193 L328V144-M237 HydrophobicContact CB-SD 4.36Å; V144-M237 HydrophobicContact CG1-SD 3.83Å; V144-M237 HydrophobicContact CG2-CB 4.44Å; V144-M237 HydrophobicContact CG2-CG 4.13Å; V144-M237 HydrophobicContact CG2-SD 4.02Å; V147-M237 HydrophobicContact CB-SD 4.12Å; V147-M237 HydrophobicContact CG1-CE 4.32Å; V147-M237 HydrophobicContact CG1-SD 3.9Å; V147-M237 HydrophobicContact CG2-SD 4.13Å; L172-M237 HydrophobicContact CD1-CE 3.69Å; L172-M237 HydrophobicContact CD1-SD 4.47Å; F175-M237 HydrophobicContact CD1-CE 4.17Å; F175-M237 HydrophobicContact CE1-CB 3.67Å; F175-M237 HydrophobicContact CE1-CE 4.12Å; F175-M237 HydrophobicContact CE1-SD 4.31Å; F175-M237 HydrophobicContact CZ-CB 4.09Å; F175-M237 WeakPolarHBondContact CZ-O 3.44Å; V190-M237 HydrophobicContact CB-CB 4.22Å; V190-M237 HydrophobicContact CB-CE 4.11Å; V190-M237 HydrophobicContact CG1-CE 3.9Å; V190-M237 HydrophobicContact CG2-CE 4.23Å; V190-M237 PolarHBondContact N-O 2.96Å; V190-M237 PolarHBondContact O-N 3.2Å; L193-M237 HydrophobicContact CD2-CE 3.61Å; M237-L328 HydrophobicContact CG-CD1 3.78Å
238S98.4Very high97.5Very high0 Ų027.1 Ų27.10%012%0.123CC..EExtended strand (participates in β ladder)trans-128.7125.9-168-530000110.1N189 K264 C327N189-S238 WeakPolarHBondContact OD1-CB 3.28Å; N189-S238 PolarHBondContact OD1-OG 3.07Å; S238-K264 VanDerWaalsContact CB-NZ 3.26Å; S238-K264 PolarHBondContact OG-NZ 3.01Å; S238-C327 PolarHBondContact N-O 2.69Å; S238-C327 PolarHBondContact O-N 2.7Å
239V98.3Very high97.6Very high2 Ų224.1 Ų24.11%0.01211%0.113CC..  trans-74.7162.6171.2-56.70000111.1Y178 Y179 V187 L188 D241 S242 T323Y178-V239 HydrophobicContact CE1-CG1 3.77Å; Y179-V239 HydrophobicContact CD2-CG1 3.82Å; Y179-V239 HydrophobicContact CE2-CG1 4.05Å; V187-V239 HydrophobicContact CG1-CG2 3.91Å; L188-V239 WeakPolarHBondContact O-CG2 3.29Å; V239-D241 PolarHBondContact O-N 3.39Å; V239-S242 WeakPolarHBondContact CG2-OG 3.39Å; V239-S242 VanDerWaalsContact O-CB 3.22Å; V239-S242 WeakPolarHBondContact O-CB 3.26Å; V239-S242 PolarHBondContact O-N 3Å; V239-S242 VanDerWaalsContact O-N 3.17Å; V239-S242 PolarHBondContact O-OG 3.43Å; V239-S242 VanDerWaalsContact O-OG 3.09Å; V239-T323 WeakPolarHBondContact O-CB 3.46Å; V239-T323 WeakPolarHBondContact O-CG2 3.19Å
240R98Very high97.5Very high140 Ų14025.7 Ų25.753%0.52812%0.12SC..THydrogen-bonded Turntrans-48.5139.5167.5166.8172.9170.7161.63.3111.3S242 D326R240-S242 PolarHBondContact O-N 3.33Å; R240-D326 WeakPolarHBondContact CB-OD1 3.11Å; R240-D326 PolarHBondContact N-OD1 3.5Å
241D97.8Very high97.5Very high37 Ų3722 Ų2220%0.19810%0.1CC..THydrogen-bonded Turntrans68.57.1-179.6-66.7-58.3000114.5I88 R92 V239 T323I88-D241 HydrophobicContact CG2-CB 4.03Å; I88-D241 WeakPolarHBondContact CG2-OD1 3.15Å; R92-D241 IonicContact CZ-OD1 2.82Å; R92-D241 IonicContact NE-OD1 2.65Å; R92-D241 PolarHBondContact NE-OD1 3.45Å; R92-D241 IonicContact NH2-OD1 3.17Å; R92-D241 PolarHBondContact NH2-OD1 2.7Å; R92-D241 IonicContact NH2-OD2 2.67Å; V239-D241 PolarHBondContact O-N 3.39Å; D241-T323 PolarHBondContact N-O 3.15Å
242S98.4Very high97.6Very high0 Ų021.8 Ų21.80%010%0.098CC..  trans-65.2137.6167.4-69.50000112.7V187 L188 V239 R240 T323V187-S242 WeakPolarHBondContact CG1-OG 3.37Å; L188-S242 PolarHBondContact O-OG 3.17Å; V239-S242 WeakPolarHBondContact CG2-OG 3.39Å; V239-S242 VanDerWaalsContact O-CB 3.22Å; V239-S242 WeakPolarHBondContact O-CB 3.26Å; V239-S242 PolarHBondContact O-N 3Å; V239-S242 VanDerWaalsContact O-N 3.17Å; V239-S242 PolarHBondContact O-OG 3.43Å; V239-S242 VanDerWaalsContact O-OG 3.09Å; R240-S242 PolarHBondContact O-N 3.33Å; S242-T323 WeakPolarHBondContact O-CB 3.43Å; S242-T323 PolarHBondContact O-N 3.47Å; S242-T323 PolarHBondContact O-OG1 3.26Å
243Y98.4Very high97.7Very high0 Ų021 Ų210%010%0.095CC..EExtended strand (participates in β ladder)trans-139.2137.5-177.2178.7-96.2000112T82 F87 I88 L91 V162 Q165 D245 A320 V321 L322T82-Y243 HydrophobicContact CG2-CD1 4.11Å; T82-Y243 HydrophobicContact CG2-CE1 3.66Å; F87-Y243 AromaticContact CE1-CD1 3.73Å; F87-Y243 HydrophobicContact CE1-CD1 3.73Å; F87-Y243 HydrophobicContact CE1-CD2 4.16Å; F87-Y243 AromaticContact CE1-CE1 3.51Å; F87-Y243 HydrophobicContact CE1-CE1 3.51Å; F87-Y243 AromaticContact CE1-CE2 3.97Å; F87-Y243 HydrophobicContact CE1-CE2 3.97Å; F87-Y243 HydrophobicContact CE1-CG 4.04Å; F87-Y243 AromaticContact CE1-CZ 3.64Å; F87-Y243 HydrophobicContact CZ-CD1 4.37Å; F87-Y243 AromaticContact CZ-CE1 3.68Å; F87-Y243 HydrophobicContact CZ-CE1 3.68Å; F87-Y243 HydrophobicContact CZ-CE2 4.24Å; F87-Y243 AromaticContact CZ-CZ 3.61Å; I88-Y243 VanDerWaalsContact CD1-CB 3.48Å; I88-Y243 HydrophobicContact CD1-CD2 4.4Å; I88-Y243 HydrophobicContact CD1-CG 4.01Å; L91-Y243 HydrophobicContact CD2-CD2 3.55Å; L91-Y243 HydrophobicContact CD2-CE2 3.35Å; V162-Y243 VanDerWaalsContact CG1-N 3.35Å; Q165-Y243 PolarHBondContact NE2-O 3.14Å; Y243-D245 HydrophobicContact CD1-CB 4.49Å; Y243-D245 HydrophobicContact CE1-CB 3.62Å; Y243-D245 WeakPolarHBondContact CE1-OD1 3.29Å; Y243-D245 PolarHBondContact OH-OD1 2.93Å; Y243-A320 HydrophobicContact CE2-CB 4.12Å; Y243-A320 WeakPolarHBondContact OH-CB 3.45Å; Y243-V321 VanDerWaalsContact CA-O 3.31Å; Y243-V321 WeakPolarHBondContact CA-O 3.3Å; Y243-V321 WeakPolarHBondContact CD2-O 3.19Å; Y243-L322 HydrophobicContact CD2-CB 4.21Å
244T97.4Very high97.7Very high23 Ų2319.7 Ų19.714%0.1419%0.089CC..EExtended strand (participates in β ladder)trans-117.6126.3169.1-58.40000107.2N189 I191 V321N189-T244 PolarHBondContact ND2-OG1 2.91Å; I191-T244 HydrophobicContact CD1-CG2 4.27Å; T244-V321 PolarHBondContact N-O 3.28Å; T244-V321 PolarHBondContact O-N 2.88Å
245D97.4Very high97.7Very high15 Ų1518.4 Ų18.48%0.089%0.085CC..EExtended strand (participates in β ladder)trans-74.5179.3-174.6-149.43.6000113.6T82 Y243 H247 W282T82-D245 HydrophobicContact CG2-CB 3.92Å; T82-D245 WeakPolarHBondContact CG2-OD2 2.99Å; T82-D245 PolarHBondContact OG1-OD2 2.77Å; Y243-D245 HydrophobicContact CD1-CB 4.49Å; Y243-D245 HydrophobicContact CE1-CB 3.62Å; Y243-D245 WeakPolarHBondContact CE1-OD1 3.29Å; Y243-D245 PolarHBondContact OH-OD1 2.93Å; D245-H247 PolarHBondContact O-N 2.82Å; D245-H247 PolarHBondContact O-ND1 3.37Å; D245-W282 WeakPolarHBondContact OD2-CZ2 3.42Å
246F98.1Very high97.7Very high6 Ų618.5 Ų18.53%0.0269%0.085CC..EExtended strand (participates in β ladder)trans-60.5124-177.3-70.1-83.1000112I269 W282 F292 F293 I318 H319 A320F246-I269 HydrophobicContact CD1-CD1 3.76Å; F246-I269 HydrophobicContact CE1-CD1 3.44Å; F246-I269 VanDerWaalsContact CE1-CD1 3.44Å; F246-I269 HydrophobicContact CE1-CG1 4.14Å; F246-I269 HydrophobicContact CZ-CD1 4.14Å; F246-W282 HydrophobicContact CB-CH2 3.94Å; F246-W282 HydrophobicContact CB-CZ3 4.1Å; F246-W282 WeakPolarHBondContact O-CH2 3.41Å; F246-W282 WeakPolarHBondContact O-CZ3 3.47Å; F246-F292 AromaticContact CE2-CD2 3.85Å; F246-F292 HydrophobicContact CE2-CD2 3.85Å; F246-F292 HydrophobicContact CE2-CE1 4.24Å; F246-F292 AromaticContact CE2-CE2 3.46Å; F246-F292 HydrophobicContact CE2-CE2 3.46Å; F246-F292 VanDerWaalsContact CE2-CE2 3.46Å; F246-F292 HydrophobicContact CE2-CG 4.4Å; F246-F292 AromaticContact CE2-CZ 3.67Å; F246-F292 HydrophobicContact CE2-CZ 3.67Å; F246-F292 HydrophobicContact CZ-CE1 4.29Å; F246-F292 AromaticContact CZ-CE2 3.95Å; F246-F292 HydrophobicContact CZ-CE2 3.95Å; F246-F292 AromaticContact CZ-CZ 3.72Å; F246-F292 HydrophobicContact CZ-CZ 3.72Å; F246-F293 HydrophobicContact CB-CB 4.14Å; F246-F293 HydrophobicContact CB-CD1 4.09Å; F246-F293 HydrophobicContact CB-CG 4.47Å; F246-F293 HydrophobicContact CD1-CD1 4.17Å; F246-F293 HydrophobicContact CD2-CB 3.61Å; F246-F293 HydrophobicContact CD2-CD1 4.43Å; F246-F293 HydrophobicContact CE2-CB 4.17Å; F246-F293 HydrophobicContact CG-CB 3.94Å; F246-F293 AromaticContact CG-CD1 3.97Å; F246-F293 HydrophobicContact CG-CD1 3.97Å; F246-F293 HydrophobicContact CG-CG 4.43Å; F246-I318 HydrophobicContact CB-CG2 4.16Å; F246-I318 HydrophobicContact CD1-CG2 4.17Å; F246-H319 VanDerWaalsContact CA-O 3.32Å; F246-H319 WeakPolarHBondContact CA-O 3.48Å; F246-A320 HydrophobicContact CB-CB 4.44Å; F246-A320 HydrophobicContact CD1-CB 3.67Å; F246-A320 HydrophobicContact CD2-CB 3.81Å; F246-A320 HydrophobicContact CE1-CB 3.75Å; F246-A320 HydrophobicContact CE2-CB 3.91Å; F246-A320 HydrophobicContact CG-CB 3.72Å; F246-A320 HydrophobicContact CZ-CB 3.88Å
247H97.1Very high97.8Very high56 Ų5618.4 Ų18.426%0.2598%0.084SC..EExtended strand (participates in β ladder)trans-144.5170.9175.760.8-70.7000110.5D245 I318 H319D245-H247 PolarHBondContact O-N 2.82Å; D245-H247 PolarHBondContact O-ND1 3.37Å; H247-I318 CarbonylContact O-C 3.56Å; H247-I318 VanDerWaalsContact O-CA 3.32Å; H247-I318 WeakPolarHBondContact O-CA 3.29Å; H247-H319 AromaticContact CE1-CE1 3.7Å; H247-H319 AromaticContact CE1-NE2 3.55Å; H247-H319 PolarHBondContact N-O 3.09Å; H247-H319 PolarHBondContact ND1-O 2.92Å; H247-H319 VanDerWaalsContact ND1-O 3.16Å; H247-H319 AromaticContact NE2-CE1 3.41Å; H247-H319 PolarHBondContact NE2-CE1 2.83Å; H247-H319 AromaticContact NE2-NE2 3.59Å; H247-H319 PolarHBondContact O-N 3.06Å
248I97.9Very high97.8Very high21 Ų2118.6 Ų18.611%0.1089%0.085CC..  trans-111.8138.8163-61.5174.1000105.6L276 F279 I318 A346I248-L276 HydrophobicContact CD1-CD2 3.62Å; I248-F279 HydrophobicContact CD1-CD1 3.76Å; I248-F279 HydrophobicContact CD1-CE1 3.71Å; I248-F279 HydrophobicContact CD1-CZ 4.44Å; I248-F279 HydrophobicContact CG1-CD1 4.24Å; I248-F279 HydrophobicContact CG1-CE1 3.86Å; I248-F279 HydrophobicContact CG1-CZ 4.09Å; I248-I318 HydrophobicContact CD1-CG1 3.73Å; I248-I318 HydrophobicContact CG1-CB 4.29Å; I248-I318 HydrophobicContact CG1-CG1 3.55Å; I248-A346 HydrophobicContact CG2-CB 4.21Å
249D97.7Very high97.8Very high20 Ų2018.6 Ų18.611%0.1079%0.085CC..  trans-60.5140.6174.3-70.8-87.5000112.3G252 T253 V255 H319 N333D249-G252 WeakPolarHBondContact O-CA 3.35Å; D249-G252 PolarHBondContact O-N 3.26Å; D249-T253 WeakPolarHBondContact CB-OG1 3.39Å; D249-T253 PolarHBondContact O-N 2.87Å; D249-V255 HydrophobicContact CB-CG2 4.14Å; D249-V255 WeakPolarHBondContact OD1-CG2 3.44Å; D249-V255 VanDerWaalsContact OD2-CG2 3.31Å; D249-V255 WeakPolarHBondContact OD2-CG2 3.43Å; D249-H319 IonicContact OD2-CE1 3.41Å; D249-H319 PolarHBondContact OD2-CE1 3.34Å; D249-H319 IonicContact OD2-ND1 2.68Å; D249-N333 PolarHBondContact OD1-ND2 2.99Å
250F94.3Very high97.8Very high38 Ų3818.7 Ų18.717%0.1679%0.085CC..G310 helixtrans-53.6139.9-174.653-99.6000113.6V231 Y234 G252 T253 N333 F359 F361V231-F250 HydrophobicContact CB-CE2 3.97Å; V231-F250 HydrophobicContact CB-CZ 3.97Å; V231-F250 HydrophobicContact CG1-CE2 3.88Å; V231-F250 HydrophobicContact CG1-CZ 4.04Å; V231-F250 HydrophobicContact CG2-CE2 4.23Å; Y234-F250 HydrophobicContact CE2-CZ 4.26Å; F250-G252 PolarHBondContact O-N 3.27Å; F250-T253 WeakPolarHBondContact O-CB 3.1Å; F250-T253 WeakPolarHBondContact O-CG2 3.37Å; F250-T253 PolarHBondContact O-N 3.24Å; F250-T253 VanDerWaalsContact O-N 3.09Å; F250-T253 PolarHBondContact O-OG1 3.33Å; F250-N333 HydrophobicContact CE1-CB 4.48Å; F250-N333 HydrophobicContact CE2-CB 3.9Å; F250-N333 HydrophobicContact CZ-CB 3.63Å; F250-F359 WeakPolarHBondContact CB-O 3.39Å; F250-F361 HydrophobicContact CD2-CB 3.91Å; F250-F361 AromaticContact CD2-CD2 3.82Å; F250-F361 HydrophobicContact CD2-CD2 3.82Å; F250-F361 HydrophobicContact CD2-CG 4.31Å; F250-F361 AromaticContact CE2-CD2 3.87Å; F250-F361 HydrophobicContact CE2-CD2 3.87Å
251G94.4Very high97.8Very high0 Ų014.8 Ų14.80%07%0.072CC..G310 helixtrans62.713.2-170.200000114.1T253 L335 E350 F364G251-T253 VanDerWaalsContact C-N 3.27Å; G251-T253 PolarHBondContact O-N 2.88Å; G251-L335 WeakPolarHBondContact O-CD2 3.37Å; G251-E350 VanDerWaalsContact N-CD 3.34Å; G251-E350 PolarHBondContact N-OE1 2.96Å; G251-E350 PolarHBondContact N-OE2 2.92Å; G251-E350 VanDerWaalsContact N-OE2 3.08Å; G251-F364 WeakPolarHBondContact O-CE2 3.38Å
252G97.2Very high97.8Very high0 Ų013.9 Ų13.90%07%0.072CC..G310 helixtrans60.732.8-167.100000113.5D249 F250 T315 Q343 E350D249-G252 WeakPolarHBondContact O-CA 3.35Å; D249-G252 PolarHBondContact O-N 3.26Å; F250-G252 PolarHBondContact O-N 3.27Å; G252-T315 WeakPolarHBondContact O-CA 3.49Å; G252-T315 WeakPolarHBondContact O-CG2 3.4Å; G252-Q343 WeakPolarHBondContact O-CG 3.05Å; G252-E350 PolarHBondContact N-OE1 3.36Å
253T98.5Very high97.8Very high2 Ų216.1 Ų16.11%0.0128%0.082CC..  trans-57.5156.4-177.936.50000113D249 F250 G251 N333 L335 F361D249-T253 WeakPolarHBondContact CB-OG1 3.39Å; D249-T253 PolarHBondContact O-N 2.87Å; F250-T253 WeakPolarHBondContact O-CB 3.1Å; F250-T253 WeakPolarHBondContact O-CG2 3.37Å; F250-T253 PolarHBondContact O-N 3.24Å; F250-T253 VanDerWaalsContact O-N 3.09Å; F250-T253 PolarHBondContact O-OG1 3.33Å; G251-T253 VanDerWaalsContact C-N 3.27Å; G251-T253 PolarHBondContact O-N 2.88Å; T253-N333 HydrophobicContact CG2-CB 4.13Å; T253-N333 PolarHBondContact OG1-ND2 3.25Å; T253-L335 HydrophobicContact CG2-CD2 3.51Å; T253-L335 HydrophobicContact CG2-CG 3.74Å; T253-F361 HydrophobicContact CG2-CD2 3.53Å; T253-F361 HydrophobicContact CG2-CE2 3.71Å
254S98.7Very high97.8Very high0 Ų016.3 Ų16.30%08%0.083CC..EExtended strand (participates in β ladder)trans-89.6149.2162.3-64.60000109.1I313 T315 N333 F334 H336S254-I313 CarbonylContact C-O 3.59Å; S254-I313 VanDerWaalsContact CA-O 3.3Å; S254-I313 WeakPolarHBondContact CA-O 3.45Å; S254-T315 PolarHBondContact OG-N 2.88Å; S254-T315 PolarHBondContact OG-OG1 3.2Å; S254-N333 CarbonylContact O-C 3.54Å; S254-N333 WeakPolarHBondContact O-CA 3.34Å; S254-F334 PolarHBondContact N-O 3.23Å; S254-F334 WeakPolarHBondContact O-CD1 3.49Å; S254-F334 WeakPolarHBondContact O-CE1 3.41Å; S254-F334 PolarHBondContact O-N 2.88Å; S254-H336 PolarHBondContact OG-CD2 3.23Å; S254-H336 PolarHBondContact OG-NE2 3.45Å
255V98.6Very high97.9Very high9 Ų916 Ų166%0.0558%0.08CC..EExtended strand (participates in β ladder)trans-119.7142.9-175.5-179.70000110.9D249 F312 I313 G332D249-V255 HydrophobicContact CB-CG2 4.14Å; D249-V255 WeakPolarHBondContact OD1-CG2 3.44Å; D249-V255 VanDerWaalsContact OD2-CG2 3.31Å; D249-V255 WeakPolarHBondContact OD2-CG2 3.43Å; V255-F312 CarbonylContact O-C 3.6Å; V255-F312 VanDerWaalsContact O-CA 3.26Å; V255-F312 WeakPolarHBondContact O-CA 3.35Å; V255-I313 HydrophobicContact CB-CB 4.33Å; V255-I313 PolarHBondContact N-O 2.76Å; V255-I313 PolarHBondContact O-N 3.1Å; V255-G332 WeakPolarHBondContact CA-O 3.48Å
256W98.8Very high98Very high1 Ų115.4 Ų15.40%0.0048%0.077CC..EExtended strand (participates in β ladder)trans-109.3140.4158.671.9-83.3000109.6M135 V204 T206 P207 V210 Q232 H258 F312 F330 G331 G332M135-W256 HydrophobicContact CE-CE3 4.45Å; M135-W256 HydrophobicContact CE-CZ3 4.45Å; V204-W256 HydrophobicContact CG1-CH2 4.3Å; T206-W256 HydrophobicContact CG2-CZ2 3.71Å; P207-W256 VanDerWaalsContact CD-CD2 3.46Å; P207-W256 HydrophobicContact CG-CB 4.18Å; P207-W256 HydrophobicContact CG-CD2 3.87Å; P207-W256 HydrophobicContact CG-CE3 3.84Å; P207-W256 HydrophobicContact CG-CG 4.02Å; V210-W256 HydrophobicContact CG2-CB 3.89Å; V210-W256 HydrophobicContact CG2-CG 3.89Å; Q232-W256 PolarHBondContact O-NE1 2.88Å; W256-H258 HydrophobicContact CZ3-CB 4.19Å; W256-F312 HydrophobicContact CB-CD1 3.64Å; W256-F312 HydrophobicContact CB-CE1 3.57Å; W256-F312 HydrophobicContact CB-CZ 4.49Å; W256-F330 HydrophobicContact CH2-CB 4.08Å; W256-F330 HydrophobicContact CZ3-CB 4.33Å; W256-G331 VanDerWaalsContact CE2-C 3.48Å; W256-G331 VanDerWaalsContact CZ2-C 3.48Å; W256-G331 WeakPolarHBondContact CZ2-O 3.32Å; W256-G331 CarbonylContact O-C 3.55Å; W256-G331 WeakPolarHBondContact O-CA 3.18Å; W256-G332 PolarHBondContact N-O 2.84Å; W256-G332 PolarHBondContact O-N 2.82Å; W256-G332 VanDerWaalsContact O-N 3.07Å
257Y98.8Very high98Very high16 Ų1615.1 Ų15.16%0.0638%0.076CC..EExtended strand (participates in β ladder)trans-144.8114-172.7-159.1-74.8000111.2L236 V259 K264 F266 T310 L311 A329L236-Y257 HydrophobicContact CD1-CE2 4.04Å; L236-Y257 HydrophobicContact CD2-CE2 3.74Å; L236-Y257 HydrophobicContact CG-CE2 4.48Å; Y257-V259 HydrophobicContact CD1-CG2 4.22Å; Y257-V259 HydrophobicContact CE1-CG2 3.97Å; Y257-K264 HydrophobicContact CE1-CG 3.95Å; Y257-K264 VanDerWaalsContact OH-CE 3.28Å; Y257-K264 WeakPolarHBondContact OH-CE 3.27Å; Y257-F266 HydrophobicContact CD1-CE2 4.26Å; Y257-F266 AromaticContact CD1-CZ 3.9Å; Y257-F266 HydrophobicContact CD1-CZ 3.9Å; Y257-F266 AromaticContact CD2-CZ 3.88Å; Y257-F266 HydrophobicContact CD2-CZ 3.88Å; Y257-F266 HydrophobicContact CE1-CE2 4.37Å; Y257-F266 HydrophobicContact CE1-CZ 4.05Å; Y257-F266 HydrophobicContact CE2-CZ 4.01Å; Y257-F266 AromaticContact CG-CZ 3.83Å; Y257-F266 HydrophobicContact CG-CZ 3.83Å; Y257-T310 CarbonylContact O-C 3.51Å; Y257-T310 VanDerWaalsContact O-CA 3.31Å; Y257-T310 WeakPolarHBondContact O-CA 3.47Å; Y257-L311 PolarHBondContact N-O 2.9Å; Y257-L311 PolarHBondContact O-N 3.2Å; Y257-A329 HydrophobicContact CD1-CB 4.35Å; Y257-A329 HydrophobicContact CE1-CB 3.5Å; Y257-A329 VanDerWaalsContact CE1-CB 3.5Å
258H98.8Very high98.1Very high4 Ų412.4 Ų12.42%0.0196%0.063CC..EExtended strand (participates in β ladder)trans-116.1121179.8-171.490.3000111.6M135 L137 W256 L260 G308 Q309 T310 A329 F330M135-H258 HydrophobicContact CE-CB 4.27Å; L137-H258 HydrophobicContact CD1-CB 3.99Å; L137-H258 WeakPolarHBondContact CD1-CD2 3.14Å; L137-H258 VanDerWaalsContact CD1-CG 3.48Å; W256-H258 HydrophobicContact CZ3-CB 4.19Å; H258-L260 PolarHBondContact O-N 2.81Å; H258-G308 PolarHBondContact CE1-O 3.13Å; H258-Q309 PolarHBondContact ND1-O 3.46Å; H258-T310 HydrophobicContact CB-CG2 4.3Å; H258-T310 PolarHBondContact ND1-OG1 3.12Å; H258-A329 CarbonylContact O-C 3.49Å; H258-A329 VanDerWaalsContact O-CA 3.26Å; H258-A329 WeakPolarHBondContact O-CA 3.46Å; H258-A329 WeakPolarHBondContact O-CB 3.13Å; H258-F330 PolarHBondContact N-O 3.05Å; H258-F330 PolarHBondContact O-N 3.36Å
259V98.8Very high98.1Very high0 Ų011.4 Ų11.40%06%0.058CC..EExtended strand (participates in β ladder)trans-85.3106.6176.6178.90000109.2Y257 K261 G262 K264 V305 Q307 G308 Q309 A329Y257-V259 HydrophobicContact CD1-CG2 4.22Å; Y257-V259 HydrophobicContact CE1-CG2 3.97Å; V259-K261 WeakPolarHBondContact CG1-O 3.43Å; V259-G262 WeakPolarHBondContact CG1-O 3.19Å; V259-K264 HydrophobicContact CG2-CB 4.32Å; V259-K264 HydrophobicContact CG2-CG 4.11Å; V259-V305 HydrophobicContact CG2-CB 4.31Å; V259-V305 HydrophobicContact CG2-CG1 3.8Å; V259-Q307 CarbonylContact O-C 3.46Å; V259-Q307 WeakPolarHBondContact O-CA 3.4Å; V259-G308 PolarHBondContact O-N 2.94Å; V259-Q309 PolarHBondContact N-O 3Å; V259-A329 HydrophobicContact CG2-CB 4.44Å
260L98.4Very high98.1Very high5 Ų515.1 Ų15.13%0.0267%0.071CC..EExtended strand (participates in β ladder)trans-78.4-33.9179.3-174.762.6000112.1P138 F142 H258 Q307 L328 F330P138-L260 HydrophobicContact CG-CD2 4.01Å; F142-L260 HydrophobicContact CB-CD2 4.2Å; F142-L260 HydrophobicContact CD1-CD2 4.36Å; H258-L260 PolarHBondContact O-N 2.81Å; L260-Q307 VanDerWaalsContact O-CG 3.32Å; L260-Q307 WeakPolarHBondContact O-CG 3.43Å; L260-Q307 PolarHBondContact O-NE2 3.31Å; L260-L328 HydrophobicContact CD2-CD2 4.42Å; L260-L328 PolarHBondContact N-O 3.45Å; L260-F330 HydrophobicContact CB-CD2 4.31Å; L260-F330 HydrophobicContact CD2-CD2 4.22Å; L260-F330 HydrophobicContact CD2-CE2 3.72Å
261K98.1Very high98.3Very high57 Ų5714.1 Ų14.125%0.2487%0.068CC..EExtended strand (participates in β ladder)trans-145.5144.1172.7-69.4-178.3173.3171.60110.8P140 S141 F142 V259 C327 L328P140-K261 WeakPolarHBondContact O-CE 3.48Å; S141-K261 VanDerWaalsContact C-NZ 3.33Å; S141-K261 PolarHBondContact O-NZ 3.16Å; F142-K261 WeakPolarHBondContact O-CE 3.38Å; F142-K261 PolarHBondContact O-NZ 2.83Å; V259-K261 WeakPolarHBondContact CG1-O 3.43Å; K261-C327 WeakPolarHBondContact O-CA 3.48Å; K261-C327 PolarHBondContact O-SG 3.37Å; K261-L328 HydrophobicContact CB-CB 4.34Å; K261-L328 PolarHBondContact N-O 3.32Å; K261-L328 PolarHBondContact O-N 3.21Å
262G98.1Very high98.4Very high19 Ų1916.8 Ų16.820%0.1968%0.084CC..EExtended strand (participates in β ladder)trans89.7-150.4177.100000113.8V259 Q307 D326V259-G262 WeakPolarHBondContact CG1-O 3.19Å; G262-Q307 PolarHBondContact O-N 3.2Å; G262-D326 WeakPolarHBondContact CA-O 3.19Å
263E98.6Very high98.4Very high47 Ų4722.1 Ų22.122%0.2211%0.113CC..EExtended strand (participates in β ladder)trans-148148178.5178.6175.6156.200110S304 V305 K306 P324 V325E263-S304 VanDerWaalsContact CD-OG 3.26Å; E263-S304 PolarHBondContact OE1-OG 3.24Å; E263-V305 WeakPolarHBondContact CA-O 3.41Å; E263-K306 HydrophobicContact CG-CG 3.99Å; E263-K306 WeakPolarHBondContact OE2-CE 3.26Å; E263-P324 HydrophobicContact CB-CG 3.91Å; E263-P324 HydrophobicContact CG-CG 3.81Å; E263-P324 VanDerWaalsContact O-CD 3.3Å; E263-P324 WeakPolarHBondContact O-CD 3.32Å; E263-V325 HydrophobicContact CB-CG2 4.13Å
264K98.7Very high98.2Very high4 Ų425 Ų252%0.01714%0.137CC..EExtended strand (participates in β ladder)trans-122.6147.5169.5-71.5-73.5-174.4161.20110S238 Y257 V259 F266 V305 V321 T323 C327S238-K264 VanDerWaalsContact CB-NZ 3.26Å; S238-K264 PolarHBondContact OG-NZ 3.01Å; Y257-K264 HydrophobicContact CE1-CG 3.95Å; Y257-K264 VanDerWaalsContact OH-CE 3.28Å; Y257-K264 WeakPolarHBondContact OH-CE 3.27Å; V259-K264 HydrophobicContact CG2-CB 4.32Å; V259-K264 HydrophobicContact CG2-CG 4.11Å; K264-F266 HydrophobicContact CB-CD2 4.27Å; K264-F266 HydrophobicContact CB-CE2 3.74Å; K264-V305 PolarHBondContact N-O 2.95Å; K264-V305 PolarHBondContact O-N 2.97Å; K264-V321 HydrophobicContact CD-CG1 3.85Å; K264-T323 HydrophobicContact CD-CG2 4.37Å; K264-T323 PolarHBondContact NZ-OG1 3.4Å; K264-C327 VanDerWaalsContact CE-SG 3.51Å
265I98.8Very high98.1Very high16 Ų1625.9 Ų25.98%0.08214%0.141CC..EExtended strand (participates in β ladder)trans-120.4116.1173.1-63.8170.8000108Y267 K302 C303 V321 L322 P324I265-Y267 HydrophobicContact CG2-CE1 4.18Å; I265-Y267 HydrophobicContact CG2-CE2 3.98Å; I265-K302 HydrophobicContact CG2-CD 4.45Å; I265-K302 HydrophobicContact CG2-CG 3.78Å; I265-C303 CarbonylContact C-O 3.55Å; I265-C303 WeakPolarHBondContact CA-O 3.42Å; I265-V321 WeakPolarHBondContact O-CA 3.32Å; I265-L322 HydrophobicContact CB-CB 4.36Å; I265-L322 PolarHBondContact N-O 3.23Å; I265-L322 PolarHBondContact O-N 3.38Å; I265-P324 HydrophobicContact CD1-CB 4.03Å; I265-P324 HydrophobicContact CD1-CG 3.88Å; I265-P324 HydrophobicContact CG1-CG 3.98Å
266F98.8Very high98Very high2 Ų226 Ų261%0.00914%0.142CC..EExtended strand (participates in β ladder)trans-95.7137.6175.7-68.8-104.4000109.8Y257 K264 L268 C303 V305 L311 I313 H319 A320 V321Y257-F266 HydrophobicContact CD1-CE2 4.26Å; Y257-F266 AromaticContact CD1-CZ 3.9Å; Y257-F266 HydrophobicContact CD1-CZ 3.9Å; Y257-F266 AromaticContact CD2-CZ 3.88Å; Y257-F266 HydrophobicContact CD2-CZ 3.88Å; Y257-F266 HydrophobicContact CE1-CE2 4.37Å; Y257-F266 HydrophobicContact CE1-CZ 4.05Å; Y257-F266 HydrophobicContact CE2-CZ 4.01Å; Y257-F266 AromaticContact CG-CZ 3.83Å; Y257-F266 HydrophobicContact CG-CZ 3.83Å; K264-F266 HydrophobicContact CB-CD2 4.27Å; K264-F266 HydrophobicContact CB-CE2 3.74Å; F266-L268 HydrophobicContact CB-CD1 4.41Å; F266-L268 HydrophobicContact CB-CD2 4.03Å; F266-L268 HydrophobicContact CB-CG 4.01Å; F266-C303 HydrophobicContact CB-CB 4.33Å; F266-C303 PolarHBondContact N-O 3.19Å; F266-C303 PolarHBondContact O-N 3.4Å; F266-V305 HydrophobicContact CD2-CB 4.45Å; F266-V305 HydrophobicContact CD2-CG2 3.68Å; F266-V305 HydrophobicContact CE2-CB 4.27Å; F266-V305 HydrophobicContact CE2-CG2 3.81Å; F266-L311 HydrophobicContact CB-CD2 4.42Å; F266-L311 HydrophobicContact CD1-CD2 4.01Å; F266-L311 HydrophobicContact CD2-CD2 3.77Å; F266-L311 HydrophobicContact CE1-CD2 4.2Å; F266-L311 HydrophobicContact CE2-CD2 3.96Å; F266-L311 HydrophobicContact CG-CD2 3.81Å; F266-L311 HydrophobicContact CZ-CD2 4.18Å; F266-I313 HydrophobicContact CD1-CD1 3.72Å; F266-I313 HydrophobicContact CE1-CD1 3.67Å; F266-H319 AromaticContact CD1-CD2 3.7Å; F266-A320 CarbonylContact C-O 3.52Å; F266-A320 WeakPolarHBondContact CA-O 3.16Å; F266-V321 HydrophobicContact CD1-CG2 3.69Å; F266-V321 HydrophobicContact CE1-CG1 4.4Å; F266-V321 HydrophobicContact CE1-CG2 3.64Å; F266-V321 HydrophobicContact CG-CG2 4.43Å; F266-V321 HydrophobicContact CZ-CG1 4.36Å; F266-V321 HydrophobicContact CZ-CG2 4.36Å
267Y98.8Very high97.6Very high0 Ų030 Ų300%017%0.166CC..EExtended strand (participates in β ladder)trans-108.3103.8170.9-58.9-82.3000107.4L91 F96 I265 Y301 K302 H319 A320 L322L91-Y267 HydrophobicContact CD1-CE1 4.04Å; L91-Y267 HydrophobicContact CD1-CE2 3.98Å; L91-Y267 HydrophobicContact CD2-CE2 4.03Å; L91-Y267 HydrophobicContact CG-CE2 4.2Å; L91-Y267 WeakPolarHBondContact CG-OH 3.34Å; F96-Y267 AromaticContact CD1-CD1 3.83Å; F96-Y267 HydrophobicContact CD1-CD1 3.83Å; F96-Y267 HydrophobicContact CD1-CE1 4.19Å; F96-Y267 HydrophobicContact CD2-CD1 4.3Å; F96-Y267 AromaticContact CD2-CE1 3.83Å; F96-Y267 HydrophobicContact CD2-CE1 3.83Å; F96-Y267 AromaticContact CE1-CD1 3.5Å; F96-Y267 HydrophobicContact CE1-CD1 3.5Å; F96-Y267 AromaticContact CE1-CE1 3.81Å; F96-Y267 HydrophobicContact CE1-CE1 3.81Å; F96-Y267 HydrophobicContact CE1-CG 4.49Å; F96-Y267 HydrophobicContact CE2-CD1 4Å; F96-Y267 AromaticContact CE2-CE1 3.4Å; F96-Y267 HydrophobicContact CE2-CE1 3.4Å; F96-Y267 HydrophobicContact CG-CD1 4.22Å; F96-Y267 HydrophobicContact CG-CE1 4.21Å; F96-Y267 AromaticContact CZ-CD1 3.6Å; F96-Y267 HydrophobicContact CZ-CD1 3.6Å; F96-Y267 AromaticContact CZ-CE1 3.39Å; F96-Y267 HydrophobicContact CZ-CE1 3.39Å; I265-Y267 HydrophobicContact CG2-CE1 4.18Å; I265-Y267 HydrophobicContact CG2-CE2 3.98Å; Y267-Y301 WeakPolarHBondContact CA-O 3.37Å; Y267-K302 HydrophobicContact CD1-CB 4.43Å; Y267-K302 HydrophobicContact CD1-CG 4.47Å; Y267-K302 HydrophobicContact CE1-CB 4.43Å; Y267-K302 HydrophobicContact CE1-CD 4.24Å; Y267-K302 HydrophobicContact CE1-CG 4.07Å; Y267-H319 WeakPolarHBondContact O-CA 3.49Å; Y267-A320 HydrophobicContact CD2-CB 4.38Å; Y267-A320 PolarHBondContact N-O 2.93Å; Y267-A320 PolarHBondContact O-N 3.42Å; Y267-A320 VanDerWaalsContact O-N 3.08Å; Y267-L322 HydrophobicContact CE2-CB 3.78Å
268L98.8Very high97.2Very high0 Ų032.2 Ų32.20%018%0.179CC..EExtended strand (participates in β ladder)trans-104.4131-164.7-61.3163.5000110.3P124 F266 Y301 C303 I313 W317 H319P124-L268 HydrophobicContact CB-CD1 4.4Å; P124-L268 HydrophobicContact CG-CD1 4.18Å; F266-L268 HydrophobicContact CB-CD1 4.41Å; F266-L268 HydrophobicContact CB-CD2 4.03Å; F266-L268 HydrophobicContact CB-CG 4.01Å; L268-Y301 PolarHBondContact N-O 3.25Å; L268-Y301 WeakPolarHBondContact O-CD2 3.26Å; L268-Y301 PolarHBondContact O-N 3.35Å; L268-C303 HydrophobicContact CD1-CB 3.58Å; L268-I313 HydrophobicContact CD2-CD1 4.29Å; L268-I313 HydrophobicContact CD2-CG1 4.45Å; L268-W317 HydrophobicContact CB-CE3 4.12Å; L268-W317 HydrophobicContact CB-CZ3 4.14Å; L268-H319 HydrophobicContact CD2-CB 3.9Å
269I98.7Very high97Very high0 Ų032.6 Ų32.60%018%0.181CC..EExtended strand (participates in β ladder)trans-126.4126-180-64.1171000108.9F246 N275 F293 V297 C300 I318F246-I269 HydrophobicContact CD1-CD1 3.76Å; F246-I269 HydrophobicContact CE1-CD1 3.44Å; F246-I269 VanDerWaalsContact CE1-CD1 3.44Å; F246-I269 HydrophobicContact CE1-CG1 4.14Å; F246-I269 HydrophobicContact CZ-CD1 4.14Å; I269-N275 HydrophobicContact CG2-CB 4.17Å; I269-F293 HydrophobicContact CD1-CD1 3.6Å; I269-F293 HydrophobicContact CD1-CE1 3.68Å; I269-F293 HydrophobicContact CG2-CE1 4.47Å; I269-V297 HydrophobicContact CD1-CG1 4.48Å; I269-V297 HydrophobicContact CD1-CG2 3.75Å; I269-V297 HydrophobicContact CG1-CG2 4.03Å; I269-V297 HydrophobicContact CG2-CB 4.38Å; I269-V297 HydrophobicContact CG2-CG1 4.06Å; I269-V297 HydrophobicContact CG2-CG2 4.19Å; I269-C300 HydrophobicContact CG1-CB 4.21Å; I269-I318 HydrophobicContact CB-CB 4.11Å; I269-I318 WeakPolarHBondContact CB-O 3.37Å; I269-I318 HydrophobicContact CG2-CB 4.41Å; I269-I318 HydrophobicContact CG2-CD1 4.27Å; I269-I318 PolarHBondContact N-O 3.01Å; I269-I318 PolarHBondContact O-N 3.27Å
270R98.2Very high96.5Very high97 Ų9734.6 Ų34.637%0.36619%0.19SC..  trans-66.4135.2-177.7-174.5-179.9-65.5-129.71.8110.6T272 N275 W317R270-T272 HydrophobicContact CB-CG2 4.47Å; R270-T272 HydrophobicContact CG-CG2 4.22Å; R270-T272 PolarHBondContact O-N 3.07Å; R270-N275 WeakPolarHBondContact O-CB 3.48Å; R270-N275 PolarHBondContact O-ND2 3.17Å; R270-W317 HydrophobicContact CB-CH2 3.74Å; R270-W317 HydrophobicContact CB-CZ2 3.9Å; R270-W317 HydrophobicContact CB-CZ3 4.11Å; R270-W317 HydrophobicContact CG-CH2 4.09Å; R270-W317 HydrophobicContact CG-CZ2 3.76Å
271P97.6Very high95.7Very high18 Ų1838.1 Ų38.112%0.11721%0.214CC..  trans-78.369.4178.331.3-33.3000111.7L276 G316 W317 M342P271-L276 HydrophobicContact CB-CD1 4.3Å; P271-L276 HydrophobicContact CB-CD2 4.05Å; P271-L276 HydrophobicContact CB-CG 4.23Å; P271-G316 WeakPolarHBondContact CB-O 3.44Å; P271-W317 HydrophobicContact CG-CG 4.2Å; P271-M342 HydrophobicContact CB-CE 3.94Å; P271-M342 HydrophobicContact CB-SD 4.3Å; P271-M342 HydrophobicContact CG-CE 4.19Å; P271-M342 WeakPolarHBondContact O-CE 3.45Å
272T97.6Very high95.2Very high55 Ų5535.6 Ų35.634%0.33720%0.203SC..  trans-75.3152.6163.8760000108.7R270 A274 N275 L276R270-T272 HydrophobicContact CB-CG2 4.47Å; R270-T272 HydrophobicContact CG-CG2 4.22Å; R270-T272 PolarHBondContact O-N 3.07Å; T272-A274 PolarHBondContact O-N 3.09Å; T272-A274 VanDerWaalsContact O-N 3.13Å; T272-N275 PolarHBondContact O-N 2.91Å; T272-N275 WeakPolarHBondContact OG1-CB 3.47Å; T272-N275 PolarHBondContact OG1-N 2.94Å; T272-N275 PolarHBondContact OG1-OD1 2.97Å; T272-L276 WeakPolarHBondContact O-CG 3.4Å; T272-L276 PolarHBondContact O-N 2.82Å
273N95.8Very high94.5Very high113 Ų11336 Ų3660%0.60420%0.203SC*.Hα-helixtrans-55.3-33.6176.6-64.1-22.9000112T277N273-T277 PolarHBondContact O-N 3.04Å; N273-T277 VanDerWaalsContact O-N 3.11Å; N273-T277 PolarHBondContact O-OG1 2.67Å; N273-T277 VanDerWaalsContact O-OG1 3.14Å
274A95Very high93.5Very high62 Ų6237.8 Ų37.851%0.51222%0.221SC..Hα-helixtrans-67.3-46.7175.600000112.2T272 L276 T277 L278T272-A274 PolarHBondContact O-N 3.09Å; T272-A274 VanDerWaalsContact O-N 3.13Å; A274-L276 VanDerWaalsContact C-N 3.32Å; A274-L276 PolarHBondContact O-N 3.31Å; A274-T277 PolarHBondContact O-N 3.3Å; A274-L278 WeakPolarHBondContact O-CG 3.08Å; A274-L278 PolarHBondContact O-N 2.93Å
275N97.5Very high92.5Very high18 Ų1839.1 Ų39.110%0.09623%0.231CC..Hα-helixtrans-66.1-34.8178.8-66.5-2.4000111.8I269 R270 T272 L278 F279 V297 I318I269-N275 HydrophobicContact CG2-CB 4.17Å; R270-N275 WeakPolarHBondContact O-CB 3.48Å; R270-N275 PolarHBondContact O-ND2 3.17Å; T272-N275 PolarHBondContact O-N 2.91Å; T272-N275 WeakPolarHBondContact OG1-CB 3.47Å; T272-N275 PolarHBondContact OG1-N 2.94Å; T272-N275 PolarHBondContact OG1-OD1 2.97Å; N275-L278 PolarHBondContact O-N 3.11Å; N275-F279 VanDerWaalsContact O-CB 3.28Å; N275-F279 WeakPolarHBondContact O-CB 3.44Å; N275-F279 PolarHBondContact O-N 3.16Å; N275-V297 HydrophobicContact CB-CG1 4.4Å; N275-I318 HydrophobicContact CB-CD1 4.19Å
276L95.8Very high91.3Very high11 Ų1144 Ų446%0.05827%0.266CS..Hα-helixtrans-66.4-43.5174.8-68.2169.6000112I248 P271 T272 A274 F279 E280 I318 M342 I349I248-L276 HydrophobicContact CD1-CD2 3.62Å; P271-L276 HydrophobicContact CB-CD1 4.3Å; P271-L276 HydrophobicContact CB-CD2 4.05Å; P271-L276 HydrophobicContact CB-CG 4.23Å; T272-L276 WeakPolarHBondContact O-CG 3.4Å; T272-L276 PolarHBondContact O-N 2.82Å; A274-L276 VanDerWaalsContact C-N 3.32Å; A274-L276 PolarHBondContact O-N 3.31Å; L276-F279 PolarHBondContact O-N 2.95Å; L276-E280 WeakPolarHBondContact O-CB 3.28Å; L276-E280 PolarHBondContact O-N 3.13Å; L276-I318 HydrophobicContact CD2-CD1 4.25Å; L276-I318 HydrophobicContact CD2-CG1 4.49Å; L276-M342 HydrophobicContact CD1-CE 4.02Å; L276-M342 HydrophobicContact CD1-SD 3.68Å; L276-I349 HydrophobicContact CB-CD1 4.42Å; L276-I349 HydrophobicContact CD2-CD1 4.24Å
277T90.6Very high90.1Very high85 Ų8547.7 Ų47.752%0.52129%0.286SS..Hα-helixtrans-64.6-41.1173.6-600000111.9N273 A274 F279 E280 C281N273-T277 PolarHBondContact O-N 3.04Å; N273-T277 VanDerWaalsContact O-N 3.11Å; N273-T277 PolarHBondContact O-OG1 2.67Å; N273-T277 VanDerWaalsContact O-OG1 3.14Å; A274-T277 PolarHBondContact O-N 3.3Å; T277-F279 VanDerWaalsContact C-N 3.34Å; T277-E280 PolarHBondContact O-N 3.39Å; T277-C281 WeakPolarHBondContact O-CB 3.37Å; T277-C281 PolarHBondContact O-N 2.99Å; T277-C281 PolarHBondContact O-SG 2.84Å
278L90.8Very high89.1Confident63 Ų6350.3 Ų50.333%0.3330%0.298SS..Hα-helixtrans-62-42.1174.3-72.2168.8000111.6A274 N275 C281 W282 F293 V297A274-L278 WeakPolarHBondContact O-CG 3.08Å; A274-L278 PolarHBondContact O-N 2.93Å; N275-L278 PolarHBondContact O-N 3.11Å; L278-C281 PolarHBondContact O-N 3.13Å; L278-W282 WeakPolarHBondContact O-CB 3.34Å; L278-W282 PolarHBondContact O-N 3.3Å; L278-F293 HydrophobicContact CB-CE2 3.89Å; L278-F293 HydrophobicContact CB-CZ 4.1Å; L278-V297 HydrophobicContact CD1-CG1 4.36Å
279F94.1Very high88.3Confident12 Ų1253.6 Ų53.65%0.05332%0.316CS..Hα-helixtrans-61.9-48.4176.6173-102.6000111.6I248 N275 L276 T277 C281 W282 S283 F293 I318I248-F279 HydrophobicContact CD1-CD1 3.76Å; I248-F279 HydrophobicContact CD1-CE1 3.71Å; I248-F279 HydrophobicContact CD1-CZ 4.44Å; I248-F279 HydrophobicContact CG1-CD1 4.24Å; I248-F279 HydrophobicContact CG1-CE1 3.86Å; I248-F279 HydrophobicContact CG1-CZ 4.09Å; N275-F279 VanDerWaalsContact O-CB 3.28Å; N275-F279 WeakPolarHBondContact O-CB 3.44Å; N275-F279 PolarHBondContact O-N 3.16Å; L276-F279 PolarHBondContact O-N 2.95Å; T277-F279 VanDerWaalsContact C-N 3.34Å; F279-C281 VanDerWaalsContact C-N 3.32Å; F279-C281 PolarHBondContact O-N 3.16Å; F279-W282 HydrophobicContact CD2-CE3 4.04Å; F279-W282 HydrophobicContact CD2-CZ3 4.22Å; F279-W282 HydrophobicContact CE2-CE3 4.15Å; F279-W282 AromaticContact CE2-CZ3 3.91Å; F279-W282 HydrophobicContact CE2-CZ3 3.91Å; F279-W282 PolarHBondContact O-N 2.94Å; F279-W282 VanDerWaalsContact O-N 3.12Å; F279-S283 WeakPolarHBondContact CE2-OG 3.47Å; F279-S283 WeakPolarHBondContact CZ-OG 3.21Å; F279-S283 WeakPolarHBondContact O-CB 3.34Å; F279-S283 PolarHBondContact O-N 2.93Å; F279-S283 PolarHBondContact O-OG 2.92Å; F279-S283 VanDerWaalsContact O-OG 3.1Å; F279-F293 HydrophobicContact CB-CE1 4.24Å; F279-F293 HydrophobicContact CB-CE2 4.26Å; F279-F293 HydrophobicContact CB-CZ 3.75Å; F279-F293 HydrophobicContact CD2-CE1 4.42Å; F279-I318 HydrophobicContact CB-CD1 3.75Å; F279-I318 HydrophobicContact CB-CG1 4.29Å; F279-I318 HydrophobicContact CD2-CG1 4.27Å; F279-I318 HydrophobicContact CD2-CG2 3.72Å; F279-I318 HydrophobicContact CE2-CG2 4.09Å; F279-I318 HydrophobicContact CG-CD1 4.15Å; F279-I318 HydrophobicContact CG-CG1 4.13Å; F279-I318 HydrophobicContact CG-CG2 4.4Å
280E87.5Confident87.6Confident43 Ų4357.1 Ų57.120%0.20133%0.332CS..Hα-helixtrans-59.7-41.2177-171.1176.916400111.9L276 T277 S284 I349 R352 L353L276-E280 WeakPolarHBondContact O-CB 3.28Å; L276-E280 PolarHBondContact O-N 3.13Å; T277-E280 PolarHBondContact O-N 3.39Å; E280-S284 WeakPolarHBondContact O-CB 3.36Å; E280-S284 PolarHBondContact O-N 2.83Å; E280-S284 PolarHBondContact O-OG 3.43Å; E280-I349 HydrophobicContact CG-CG2 4.39Å; E280-R352 VanDerWaalsContact CD-NH2 3.3Å; E280-R352 IonicContact OE1-CZ 3.39Å; E280-R352 IonicContact OE1-NE 2.69Å; E280-R352 PolarHBondContact OE1-NE 3.24Å; E280-R352 IonicContact OE1-NH2 3.5Å; E280-R352 PolarHBondContact OE1-NH2 3.3Å; E280-R352 IonicContact OE2-CZ 3.99Å; E280-R352 IonicContact OE2-NE 2.88Å; E280-R352 IonicContact OE2-NH2 2.66Å; E280-R352 PolarHBondContact OE2-NH2 3.38Å; E280-L353 HydrophobicContact CG-CD2 4.16Å
281C82Confident87Confident79 Ų7955.7 Ų55.753%0.53433%0.331SS..Hα-helixtrans-69.8-29.7174.2-68.40000114.1T277 L278 F279 S285T277-C281 WeakPolarHBondContact O-CB 3.37Å; T277-C281 PolarHBondContact O-N 2.99Å; T277-C281 PolarHBondContact O-SG 2.84Å; L278-C281 PolarHBondContact O-N 3.13Å; F279-C281 VanDerWaalsContact C-N 3.32Å; F279-C281 PolarHBondContact O-N 3.16Å; C281-S285 WeakPolarHBondContact O-CB 3.31Å
282W88.8Confident86.8Confident3 Ų355.3 Ų55.31%0.01133%0.327CS..Hα-helixtrans-77.2-45.4175.9167.785.4000111.6D245 F246 L278 F279 S284 S285 Q288 M291 F293D245-W282 WeakPolarHBondContact OD2-CZ2 3.42Å; F246-W282 HydrophobicContact CB-CH2 3.94Å; F246-W282 HydrophobicContact CB-CZ3 4.1Å; F246-W282 WeakPolarHBondContact O-CH2 3.41Å; F246-W282 WeakPolarHBondContact O-CZ3 3.47Å; L278-W282 WeakPolarHBondContact O-CB 3.34Å; L278-W282 PolarHBondContact O-N 3.3Å; F279-W282 HydrophobicContact CD2-CE3 4.04Å; F279-W282 HydrophobicContact CD2-CZ3 4.22Å; F279-W282 HydrophobicContact CE2-CE3 4.15Å; F279-W282 AromaticContact CE2-CZ3 3.91Å; F279-W282 HydrophobicContact CE2-CZ3 3.91Å; F279-W282 PolarHBondContact O-N 2.94Å; F279-W282 VanDerWaalsContact O-N 3.12Å; W282-S284 VanDerWaalsContact C-N 3.26Å; W282-S284 PolarHBondContact O-N 2.9Å; W282-S285 WeakPolarHBondContact O-CB 3.3Å; W282-S285 PolarHBondContact O-N 2.77Å; W282-S285 PolarHBondContact O-OG 2.82Å; W282-Q288 HydrophobicContact CD2-CG 3.84Å; W282-Q288 VanDerWaalsContact CE2-CG 3.43Å; W282-Q288 HydrophobicContact CE3-CG 4.16Å; W282-Q288 HydrophobicContact CG-CG 4.5Å; W282-Q288 HydrophobicContact CH2-CG 3.79Å; W282-Q288 HydrophobicContact CZ2-CG 3.43Å; W282-Q288 VanDerWaalsContact CZ2-CG 3.43Å; W282-Q288 HydrophobicContact CZ3-CG 4.13Å; W282-Q288 VanDerWaalsContact CZ3-NE2 3.3Å; W282-M291 PolarHBondContact NE1-O 3.13Å; W282-F293 HydrophobicContact CB-CD2 3.67Å; W282-F293 HydrophobicContact CB-CE2 4.08Å; W282-F293 HydrophobicContact CD2-CB 3.85Å; W282-F293 AromaticContact CD2-CD2 3.95Å; W282-F293 HydrophobicContact CD2-CD2 3.95Å; W282-F293 HydrophobicContact CD2-CG 4.1Å; W282-F293 HydrophobicContact CE3-CB 4.34Å; W282-F293 HydrophobicContact CE3-CD2 4.38Å; W282-F293 HydrophobicContact CE3-CG 4.36Å; W282-F293 HydrophobicContact CG-CB 4.15Å; W282-F293 AromaticContact CG-CD2 3.64Å; W282-F293 HydrophobicContact CG-CD2 3.64Å; W282-F293 HydrophobicContact CG-CE2 4.5Å; W282-F293 HydrophobicContact CG-CG 4.23Å; W282-F293 HydrophobicContact CZ2-CB 4.11Å
283S82.6Confident86.7Confident27 Ų2752.7 Ų52.719%0.18931%0.311CS..Hα-helixtrans-64.7-27.5179-61.90000113.2F279F279-S283 WeakPolarHBondContact CE2-OG 3.47Å; F279-S283 WeakPolarHBondContact CZ-OG 3.21Å; F279-S283 WeakPolarHBondContact O-CB 3.34Å; F279-S283 PolarHBondContact O-N 2.93Å; F279-S283 PolarHBondContact O-OG 2.92Å; F279-S283 VanDerWaalsContact O-OG 3.1Å
284S78.3Confident86.7Confident85 Ų8547.8 Ų47.859%0.59429%0.287SS*.THydrogen-bonded Turntrans-90.72.8173.155.20000114.1E280 W282E280-S284 WeakPolarHBondContact O-CB 3.36Å; E280-S284 PolarHBondContact O-N 2.83Å; E280-S284 PolarHBondContact O-OG 3.43Å; W282-S284 VanDerWaalsContact C-N 3.26Å; W282-S284 PolarHBondContact O-N 2.9Å
285S76.6Confident86.7Confident33 Ų3349.7 Ų49.723%0.23129%0.289CS..  trans-87.8139-176.676.70000113.1C281 W282 N287 Q288 M291C281-S285 WeakPolarHBondContact O-CB 3.31Å; W282-S285 WeakPolarHBondContact O-CB 3.3Å; W282-S285 PolarHBondContact O-N 2.77Å; W282-S285 PolarHBondContact O-OG 2.82Å; S285-N287 PolarHBondContact O-N 3Å; S285-Q288 WeakPolarHBondContact O-CB 3.17Å; S285-Q288 PolarHBondContact O-N 3.08Å; S285-Q288 VanDerWaalsContact O-N 3.16Å; S285-Q288 PolarHBondContact OG-N 3.37Å; S285-M291 WeakPolarHBondContact OG-CE 3.42Å
286S73.3Confident86.4Confident119 Ų11952.3 Ų52.383%0.83230%0.301SS*.THydrogen-bonded Turntrans-57.2-1917357.80000114.2
287N75.1Confident86.5Confident79 Ų7952.7 Ų52.742%0.42230%0.303SS..THydrogen-bonded Turntrans-108.310-172.5-58.57.7000112.2S285 N289 E290 M291S285-N287 PolarHBondContact O-N 3Å; N287-N289 VanDerWaalsContact C-N 3.3Å; N287-N289 PolarHBondContact O-N 2.85Å; N287-E290 CarbonylContact O-C 3.53Å; N287-E290 WeakPolarHBondContact O-CA 3.39Å; N287-E290 PolarHBondContact O-N 3.26Å; N287-M291 HydrophobicContact CB-CE 3.83Å; N287-M291 HydrophobicContact CB-CG 4.33Å; N287-M291 HydrophobicContact CB-SD 4.14Å; N287-M291 WeakPolarHBondContact O-CG 3.43Å; N287-M291 PolarHBondContact O-N 3.5Å
288Q76Confident86.7Confident54 Ų5457.7 Ų57.725%0.25232%0.321SS..G310 helixtrans-46.6-53.1-179-172-166.818.800111.7W282 S285 E290 M291W282-Q288 HydrophobicContact CD2-CG 3.84Å; W282-Q288 VanDerWaalsContact CE2-CG 3.43Å; W282-Q288 HydrophobicContact CE3-CG 4.16Å; W282-Q288 HydrophobicContact CG-CG 4.5Å; W282-Q288 HydrophobicContact CH2-CG 3.79Å; W282-Q288 HydrophobicContact CZ2-CG 3.43Å; W282-Q288 VanDerWaalsContact CZ2-CG 3.43Å; W282-Q288 HydrophobicContact CZ3-CG 4.13Å; W282-Q288 VanDerWaalsContact CZ3-NE2 3.3Å; S285-Q288 WeakPolarHBondContact O-CB 3.17Å; S285-Q288 PolarHBondContact O-N 3.08Å; S285-Q288 VanDerWaalsContact O-N 3.16Å; S285-Q288 PolarHBondContact OG-N 3.37Å; Q288-E290 PolarHBondContact O-N 3.4Å; Q288-M291 PolarHBondContact O-N 3.31Å; Q288-M291 VanDerWaalsContact O-N 3.16Å
289N81.8Confident86.9Confident70 Ų7058 Ų5837%0.37432%0.319SS..G310 helixtrans-66.41.6179-75.2-64.9000115.5K81 T82 N287K81-N289 CarbonylContact C-O 3.28Å; K81-N289 VanDerWaalsContact CA-O 3.28Å; K81-N289 WeakPolarHBondContact CA-O 3.45Å; T82-N289 PolarHBondContact N-O 3.05Å; T82-N289 PolarHBondContact OG1-O 3.2Å; N287-N289 VanDerWaalsContact C-N 3.3Å; N287-N289 PolarHBondContact O-N 2.85Å
290E85.3Confident87.1Confident73 Ų7357.8 Ų57.834%0.34132%0.319SS..G310 helixtrans-126.94-178.8-54.8-166.715400112P79 K81 N287 Q288P79-E290 HydrophobicContact CB-CB 4.12Å; P79-E290 HydrophobicContact CG-CB 3.79Å; P79-E290 VanDerWaalsContact CG-CD 3.45Å; P79-E290 HydrophobicContact CG-CG 4.03Å; P79-E290 WeakPolarHBondContact CG-OE2 3.45Å; K81-E290 VanDerWaalsContact CE-OE1 3.24Å; K81-E290 WeakPolarHBondContact CE-OE1 3.15Å; K81-E290 HydrophobicContact CG-CG 4.42Å; K81-E290 IonicContact NZ-OE1 2.69Å; N287-E290 CarbonylContact O-C 3.53Å; N287-E290 WeakPolarHBondContact O-CA 3.39Å; N287-E290 PolarHBondContact O-N 3.26Å; Q288-E290 PolarHBondContact O-N 3.4Å
291M84.8Confident87.7Confident67 Ų6756.7 Ų56.733%0.3331%0.313SS..SBendtrans-135116.9-176.9-63-172.1-55.900111.8W282 S285 N287 Q288 F293W282-M291 PolarHBondContact NE1-O 3.13Å; S285-M291 WeakPolarHBondContact OG-CE 3.42Å; N287-M291 HydrophobicContact CB-CE 3.83Å; N287-M291 HydrophobicContact CB-CG 4.33Å; N287-M291 HydrophobicContact CB-SD 4.14Å; N287-M291 WeakPolarHBondContact O-CG 3.43Å; N287-M291 PolarHBondContact O-N 3.5Å; Q288-M291 PolarHBondContact O-N 3.31Å; Q288-M291 VanDerWaalsContact O-N 3.16Å; M291-F293 PolarHBondContact O-N 2.65Å
292F94.5Very high88.5Confident11 Ų1156.3 Ų56.35%0.04830%0.303CS..  trans-71.8109.4174.8-176.5-105.3000110.7F87 L91 F96 F246 G294 D295F87-F292 HydrophobicContact CE2-CB 4.48Å; F87-F292 AromaticContact CE2-CD2 3.83Å; F87-F292 HydrophobicContact CE2-CD2 3.83Å; F87-F292 AromaticContact CZ-CD2 3.84Å; F87-F292 HydrophobicContact CZ-CD2 3.84Å; F87-F292 HydrophobicContact CZ-CE2 4.28Å; L91-F292 HydrophobicContact CD1-CD2 4.5Å; L91-F292 HydrophobicContact CD1-CE2 3.56Å; L91-F292 HydrophobicContact CD1-CZ 3.72Å; F96-F292 AromaticContact CE1-CE1 3.76Å; F96-F292 HydrophobicContact CE1-CE1 3.76Å; F96-F292 AromaticContact CE1-CZ 3.73Å; F96-F292 HydrophobicContact CE1-CZ 3.73Å; F96-F292 AromaticContact CZ-CE1 3.93Å; F96-F292 HydrophobicContact CZ-CE1 3.93Å; F96-F292 AromaticContact CZ-CZ 3.7Å; F96-F292 HydrophobicContact CZ-CZ 3.7Å; F246-F292 AromaticContact CE2-CD2 3.85Å; F246-F292 HydrophobicContact CE2-CD2 3.85Å; F246-F292 HydrophobicContact CE2-CE1 4.24Å; F246-F292 AromaticContact CE2-CE2 3.46Å; F246-F292 HydrophobicContact CE2-CE2 3.46Å; F246-F292 VanDerWaalsContact CE2-CE2 3.46Å; F246-F292 HydrophobicContact CE2-CG 4.4Å; F246-F292 AromaticContact CE2-CZ 3.67Å; F246-F292 HydrophobicContact CE2-CZ 3.67Å; F246-F292 HydrophobicContact CZ-CE1 4.29Å; F246-F292 AromaticContact CZ-CE2 3.95Å; F246-F292 HydrophobicContact CZ-CE2 3.95Å; F246-F292 AromaticContact CZ-CZ 3.72Å; F246-F292 HydrophobicContact CZ-CZ 3.72Å; F292-G294 PolarHBondContact O-N 3.03Å; F292-G294 VanDerWaalsContact O-N 3.12Å; F292-D295 WeakPolarHBondContact O-CB 3.45Å; F292-D295 PolarHBondContact O-N 2.87Å
293F95.1Very high88.9Confident0 Ų056.2 Ų56.20%030%0.302CS..G310 helixtrans-57.2-30.9-174.5179.5-111.5000114F246 I269 L278 F279 W282 M291 D295 Q296 V297 I318F246-F293 HydrophobicContact CB-CB 4.14Å; F246-F293 HydrophobicContact CB-CD1 4.09Å; F246-F293 HydrophobicContact CB-CG 4.47Å; F246-F293 HydrophobicContact CD1-CD1 4.17Å; F246-F293 HydrophobicContact CD2-CB 3.61Å; F246-F293 HydrophobicContact CD2-CD1 4.43Å; F246-F293 HydrophobicContact CE2-CB 4.17Å; F246-F293 HydrophobicContact CG-CB 3.94Å; F246-F293 AromaticContact CG-CD1 3.97Å; F246-F293 HydrophobicContact CG-CD1 3.97Å; F246-F293 HydrophobicContact CG-CG 4.43Å; I269-F293 HydrophobicContact CD1-CD1 3.6Å; I269-F293 HydrophobicContact CD1-CE1 3.68Å; I269-F293 HydrophobicContact CG2-CE1 4.47Å; L278-F293 HydrophobicContact CB-CE2 3.89Å; L278-F293 HydrophobicContact CB-CZ 4.1Å; F279-F293 HydrophobicContact CB-CE1 4.24Å; F279-F293 HydrophobicContact CB-CE2 4.26Å; F279-F293 HydrophobicContact CB-CZ 3.75Å; F279-F293 HydrophobicContact CD2-CE1 4.42Å; W282-F293 HydrophobicContact CB-CD2 3.67Å; W282-F293 HydrophobicContact CB-CE2 4.08Å; W282-F293 HydrophobicContact CD2-CB 3.85Å; W282-F293 AromaticContact CD2-CD2 3.95Å; W282-F293 HydrophobicContact CD2-CD2 3.95Å; W282-F293 HydrophobicContact CD2-CG 4.1Å; W282-F293 HydrophobicContact CE3-CB 4.34Å; W282-F293 HydrophobicContact CE3-CD2 4.38Å; W282-F293 HydrophobicContact CE3-CG 4.36Å; W282-F293 HydrophobicContact CG-CB 4.15Å; W282-F293 AromaticContact CG-CD2 3.64Å; W282-F293 HydrophobicContact CG-CD2 3.64Å; W282-F293 HydrophobicContact CG-CE2 4.5Å; W282-F293 HydrophobicContact CG-CG 4.23Å; W282-F293 HydrophobicContact CZ2-CB 4.11Å; M291-F293 PolarHBondContact O-N 2.65Å; F293-D295 PolarHBondContact O-N 2.88Å; F293-Q296 HydrophobicContact CD2-CB 4.38Å; F293-Q296 HydrophobicContact CD2-CG 4.48Å; F293-Q296 HydrophobicContact CE2-CB 4.42Å; F293-Q296 WeakPolarHBondContact O-CB 3.19Å; F293-Q296 PolarHBondContact O-N 2.83Å; F293-V297 HydrophobicContact CE1-CG1 3.98Å; F293-V297 HydrophobicContact CE2-CG1 4.46Å; F293-V297 HydrophobicContact CZ-CG1 3.79Å; F293-I318 HydrophobicContact CD1-CG2 4.09Å; F293-I318 HydrophobicContact CE1-CD1 4.25Å; F293-I318 HydrophobicContact CE1-CG2 3.83Å
294G95.8Very high89.7Confident10 Ų1056.9 Ų56.910%0.10331%0.307CS..G310 helixtrans-58.8-15.8175.300000115.3F292F292-G294 PolarHBondContact O-N 3.03Å; F292-G294 VanDerWaalsContact O-N 3.12Å
295D94.3Very high90.6Very high102 Ų10252.8 Ų52.855%0.54528%0.279SS..G310 helixtrans-82.4-10.7173.5-66.9-30.3000113.6R94 F292 F293R94-D295 IonicContact CZ-OD1 3Å; R94-D295 IonicContact CZ-OD2 3.52Å; R94-D295 VanDerWaalsContact CZ-OD2 3.28Å; R94-D295 IonicContact NH1-OD1 3.82Å; R94-D295 PolarHBondContact NH1-OD1 3Å; R94-D295 IonicContact NH1-OD2 2.75Å; R94-D295 PolarHBondContact NH1-OD2 3.07Å; R94-D295 IonicContact NH2-OD1 2.68Å; R94-D295 IonicContact NH2-OD2 2.7Å; R94-D295 PolarHBondContact NH2-OD2 3.45Å; F292-D295 WeakPolarHBondContact O-CB 3.45Å; F292-D295 PolarHBondContact O-N 2.87Å; F293-D295 PolarHBondContact O-N 2.88Å
296Q92.8Very high91.7Very high73 Ų7356.4 Ų56.434%0.34129%0.29SS..SBendtrans-95.5-11-176.2-54.4-167.920.200113.8F293F293-Q296 HydrophobicContact CD2-CB 4.38Å; F293-Q296 HydrophobicContact CD2-CG 4.48Å; F293-Q296 HydrophobicContact CE2-CB 4.42Å; F293-Q296 WeakPolarHBondContact O-CB 3.19Å; F293-Q296 PolarHBondContact O-N 2.83Å
297V96.6Very high92.9Very high19 Ų1955.5 Ų55.512%0.11527%0.273CS..SBendtrans-111.6157-173.4-63.50000112.2I269 N275 L278 F293 K299 C300I269-V297 HydrophobicContact CD1-CG1 4.48Å; I269-V297 HydrophobicContact CD1-CG2 3.75Å; I269-V297 HydrophobicContact CG1-CG2 4.03Å; I269-V297 HydrophobicContact CG2-CB 4.38Å; I269-V297 HydrophobicContact CG2-CG1 4.06Å; I269-V297 HydrophobicContact CG2-CG2 4.19Å; N275-V297 HydrophobicContact CB-CG1 4.4Å; L278-V297 HydrophobicContact CD1-CG1 4.36Å; F293-V297 HydrophobicContact CE1-CG1 3.98Å; F293-V297 HydrophobicContact CE2-CG1 4.46Å; F293-V297 HydrophobicContact CZ-CG1 3.79Å; V297-K299 PolarHBondContact O-N 2.92Å; V297-C300 HydrophobicContact CG2-CB 4.26Å
298E94.1Very high93.9Very high190 Ų19053.1 Ų53.189%0.88827%0.267SS*.SBendtrans-64.8-35.5-176.8-174.5-177.7-178.200114
299K96.6Very high95Very high69 Ų6951.7 Ų51.730%0.326%0.26SS..  trans-143.7139.1177.3-79.5-170.7165.5-94.40111D97 E101 V297 Y301D97-K299 IonicContact OD1-NZ 3.36Å; D97-K299 PolarHBondContact OD1-NZ 2.83Å; D97-K299 VanDerWaalsContact OD2-CA 3.29Å; D97-K299 WeakPolarHBondContact OD2-CA 3.26Å; D97-K299 WeakPolarHBondContact OD2-CB 3.43Å; D97-K299 WeakPolarHBondContact OD2-CG 3.31Å; E101-K299 IonicContact OE1-NZ 2.73Å; E101-K299 IonicContact OE2-NZ 2.73Å; E101-K299 PolarHBondContact OE2-NZ 3.15Å; V297-K299 PolarHBondContact O-N 2.92Å; K299-Y301 HydrophobicContact CB-CE1 4.41Å; K299-Y301 HydrophobicContact CB-CE2 4Å; K299-Y301 HydrophobicContact CD-CE1 3.91Å; K299-Y301 WeakPolarHBondContact CD-OH 3.31Å
300C98.3Very high95.8Very high7 Ų748.4 Ų48.45%0.04724%0.242CC..  trans-136108.1176.9-176.10000108.5F96 D97 I269 V297F96-C300 HydrophobicContact CD1-CB 4.27Å; D97-C300 PolarHBondContact N-O 3.39Å; D97-C300 PolarHBondContact OD2-N 3.08Å; I269-C300 HydrophobicContact CG1-CB 4.21Å; V297-C300 HydrophobicContact CG2-CB 4.26Å
301Y98.6Very high96.5Very high21 Ų2144.9 Ų44.98%0.08223%0.226CC..EExtended strand (participates in β ladder)trans-91.6124.8-167-55.2-88.2000111.6D97 E101 V102 Y267 L268 K299D97-Y301 HydrophobicContact CB-CD1 3.6Å; D97-Y301 HydrophobicContact CB-CE1 4.04Å; D97-Y301 HydrophobicContact CB-CG 4.28Å; D97-Y301 WeakPolarHBondContact O-CA 3.38Å; E101-Y301 HydrophobicContact CB-CE1 4.29Å; V102-Y301 HydrophobicContact CB-CE1 4.4Å; V102-Y301 HydrophobicContact CG1-CD1 4.32Å; V102-Y301 HydrophobicContact CG1-CE1 3.59Å; V102-Y301 HydrophobicContact CG1-CE2 4.23Å; V102-Y301 HydrophobicContact CG2-CD1 3.74Å; V102-Y301 HydrophobicContact CG2-CD2 4.07Å; V102-Y301 HydrophobicContact CG2-CE1 3.87Å; V102-Y301 HydrophobicContact CG2-CE2 4.22Å; V102-Y301 HydrophobicContact CG2-CG 3.84Å; Y267-Y301 WeakPolarHBondContact CA-O 3.37Å; L268-Y301 PolarHBondContact N-O 3.25Å; L268-Y301 WeakPolarHBondContact O-CD2 3.26Å; L268-Y301 PolarHBondContact O-N 3.35Å; K299-Y301 HydrophobicContact CB-CE1 4.41Å; K299-Y301 HydrophobicContact CB-CE2 4Å; K299-Y301 HydrophobicContact CD-CE1 3.91Å; K299-Y301 WeakPolarHBondContact CD-OH 3.31Å
302K98.6Very high97.1Very high71 Ų7141.9 Ų41.931%0.30921%0.211SC..EExtended strand (participates in β ladder)trans-89.6116.2176.6-177.7178.6-177.5176.70110.6F96 D97 S99 I265 Y267F96-K302 HydrophobicContact CB-CB 3.59Å; F96-K302 HydrophobicContact CB-CD 4.33Å; F96-K302 HydrophobicContact CD2-CB 4.41Å; F96-K302 HydrophobicContact CD2-CD 3.96Å; F96-K302 HydrophobicContact CG-CB 4.05Å; F96-K302 HydrophobicContact CG-CD 4.41Å; D97-K302 PolarHBondContact O-N 3.12Å; S99-K302 WeakPolarHBondContact CB-O 3.25Å; S99-K302 PolarHBondContact N-O 3.11Å; S99-K302 PolarHBondContact OG-O 2.99Å; I265-K302 HydrophobicContact CG2-CD 4.45Å; I265-K302 HydrophobicContact CG2-CG 3.78Å; Y267-K302 HydrophobicContact CD1-CB 4.43Å; Y267-K302 HydrophobicContact CD1-CG 4.47Å; Y267-K302 HydrophobicContact CE1-CB 4.43Å; Y267-K302 HydrophobicContact CE1-CD 4.24Å; Y267-K302 HydrophobicContact CE1-CG 4.07Å
303C98.5Very high97.3Very high0 Ų041.4 Ų41.40%021%0.209CC..EExtended strand (participates in β ladder)trans-114.3121.8178.1-173.90000110.7S99 I265 F266 L268S99-C303 WeakPolarHBondContact OG-CA 3.38Å; I265-C303 CarbonylContact C-O 3.55Å; I265-C303 WeakPolarHBondContact CA-O 3.42Å; F266-C303 HydrophobicContact CB-CB 4.33Å; F266-C303 PolarHBondContact N-O 3.19Å; F266-C303 PolarHBondContact O-N 3.4Å; L268-C303 HydrophobicContact CD1-CB 3.58Å
304S98.3Very high97.5Very high41 Ų4141.5 Ų41.529%0.28721%0.21SC..EExtended strand (participates in β ladder)trans-93124.2172.2167.70000109.3E263 K306E263-S304 VanDerWaalsContact CD-OG 3.26Å; E263-S304 PolarHBondContact OE1-OG 3.24Å; S304-K306 WeakPolarHBondContact OG-CE 3.43Å
305V98.7Very high97.6Very high0 Ų041.2 Ų41.20%021%0.206CC..EExtended strand (participates in β ladder)trans-115.1108.9176.3-172.10000107.9L126 V259 E263 K264 F266 Q309 L311L126-V305 HydrophobicContact CD1-CG1 4.31Å; L126-V305 HydrophobicContact CD1-CG2 4.26Å; V259-V305 HydrophobicContact CG2-CB 4.31Å; V259-V305 HydrophobicContact CG2-CG1 3.8Å; E263-V305 WeakPolarHBondContact CA-O 3.41Å; K264-V305 PolarHBondContact N-O 2.95Å; K264-V305 PolarHBondContact O-N 2.97Å; F266-V305 HydrophobicContact CD2-CB 4.45Å; F266-V305 HydrophobicContact CD2-CG2 3.68Å; F266-V305 HydrophobicContact CE2-CB 4.27Å; F266-V305 HydrophobicContact CE2-CG2 3.81Å; V305-Q309 HydrophobicContact CG1-CB 4.13Å; V305-L311 HydrophobicContact CG1-CB 4.34Å; V305-L311 HydrophobicContact CG2-CB 3.87Å; V305-L311 HydrophobicContact CG2-CD2 3.87Å; V305-L311 HydrophobicContact CG2-CG 4.36Å
306K98.4Very high97.7Very high108 Ų10836.5 Ų36.547%0.4718%0.181SC..EExtended strand (participates in β ladder)trans-98.9163.6-174-61.5-175.5177.6-175.60111.5E263 S304 G308 Q309E263-K306 HydrophobicContact CG-CG 3.99Å; E263-K306 WeakPolarHBondContact OE2-CE 3.26Å; S304-K306 WeakPolarHBondContact OG-CE 3.43Å; K306-G308 PolarHBondContact O-N 2.91Å; K306-Q309 VanDerWaalsContact O-CB 3.24Å; K306-Q309 WeakPolarHBondContact O-CB 3.42Å; K306-Q309 WeakPolarHBondContact O-CG 3.46Å; K306-Q309 PolarHBondContact O-N 3.18Å
307Q98.3Very high98Very high101 Ų10133.3 Ų33.347%0.47217%0.166SC..THydrogen-bonded Turntrans-43.3127.6174.2179.5163.23.500113.4V259 L260 G262 Q309V259-Q307 CarbonylContact O-C 3.46Å; V259-Q307 WeakPolarHBondContact O-CA 3.4Å; L260-Q307 VanDerWaalsContact O-CG 3.32Å; L260-Q307 WeakPolarHBondContact O-CG 3.43Å; L260-Q307 PolarHBondContact O-NE2 3.31Å; G262-Q307 PolarHBondContact O-N 3.2Å; Q307-Q309 VanDerWaalsContact C-N 3.34Å
308G97.7Very high98.1Very high29 Ų2932.4 Ų32.430%0.29916%0.161SC..THydrogen-bonded Turntrans86.2-8.1-178.800000115.5H258 V259 K306H258-G308 PolarHBondContact CE1-O 3.13Å; V259-G308 PolarHBondContact O-N 2.94Å; K306-G308 PolarHBondContact O-N 2.91Å
309Q98.6Very high98.3Very high24 Ų2423.8 Ų23.811%0.11212%0.12CC..  trans-89.7153.5177.2-57-177.9-31.500111.8L126 M128 H258 V259 V305 K306 Q307L126-Q309 HydrophobicContact CD1-CB 4.18Å; M128-Q309 PolarHBondContact SD-NE2 2.94Å; H258-Q309 PolarHBondContact ND1-O 3.46Å; V259-Q309 PolarHBondContact N-O 3Å; V305-Q309 HydrophobicContact CG1-CB 4.13Å; K306-Q309 VanDerWaalsContact O-CB 3.24Å; K306-Q309 WeakPolarHBondContact O-CB 3.42Å; K306-Q309 WeakPolarHBondContact O-CG 3.46Å; K306-Q309 PolarHBondContact O-N 3.18Å; Q307-Q309 VanDerWaalsContact C-N 3.34Å
310T98.8Very high98.4Very high0 Ų020.5 Ų20.50%011%0.106CC..EExtended strand (participates in β ladder)trans-123.6119.5176.1-41.40000110V127 L133 M135 Y257 H258 F312V127-T310 PolarHBondContact N-O 2.92Å; V127-T310 PolarHBondContact O-N 2.78Å; L133-T310 HydrophobicContact CD1-CG2 4.14Å; L133-T310 WeakPolarHBondContact CD1-OG1 3.23Å; M135-T310 HydrophobicContact CE-CG2 3.77Å; Y257-T310 CarbonylContact O-C 3.51Å; Y257-T310 VanDerWaalsContact O-CA 3.31Å; Y257-T310 WeakPolarHBondContact O-CA 3.47Å; H258-T310 HydrophobicContact CB-CG2 4.3Å; H258-T310 PolarHBondContact ND1-OG1 3.12Å; T310-F312 HydrophobicContact CG2-CD2 4.33Å; T310-F312 HydrophobicContact CG2-CE2 3.66Å; T310-F312 HydrophobicContact CG2-CZ 3.83Å
311L98.8Very high98.5Very high0 Ų020.7 Ų20.70%011%0.107CC..EExtended strand (participates in β ladder)trans-94.3140169.3-178.866.4000109.3P124 I125 L126 Y257 F266 V305 I313P124-L311 HydrophobicContact CB-CD1 4.18Å; I125-L311 CarbonylContact O-C 3.42Å; I125-L311 WeakPolarHBondContact O-CA 3.32Å; L126-L311 HydrophobicContact CB-CD1 4.37Å; L126-L311 HydrophobicContact CD1-CB 4.33Å; L126-L311 HydrophobicContact CD1-CD1 4.47Å; Y257-L311 PolarHBondContact N-O 2.9Å; Y257-L311 PolarHBondContact O-N 3.2Å; F266-L311 HydrophobicContact CB-CD2 4.42Å; F266-L311 HydrophobicContact CD1-CD2 4.01Å; F266-L311 HydrophobicContact CD2-CD2 3.77Å; F266-L311 HydrophobicContact CE1-CD2 4.2Å; F266-L311 HydrophobicContact CE2-CD2 3.96Å; F266-L311 HydrophobicContact CG-CD2 3.81Å; F266-L311 HydrophobicContact CZ-CD2 4.18Å; V305-L311 HydrophobicContact CG1-CB 4.34Å; V305-L311 HydrophobicContact CG2-CB 3.87Å; V305-L311 HydrophobicContact CG2-CD2 3.87Å; V305-L311 HydrophobicContact CG2-CG 4.36Å; L311-I313 HydrophobicContact CD2-CD1 3.93Å; L311-I313 HydrophobicContact CD2-CG1 3.78Å; L311-I313 HydrophobicContact CG-CG1 3.97Å
312F98.8Very high98.5Very high3 Ų319.8 Ų19.81%0.01310%0.104CC..EExtended strand (participates in β ladder)trans-117124.3165.5-60.5-97.3000108.6L111 F121 P124 I125 V127 L133 P207 I209 V210 V255 W256 T310L111-F312 HydrophobicContact CD2-CD2 3.8Å; L111-F312 HydrophobicContact CD2-CE1 4.42Å; L111-F312 HydrophobicContact CD2-CE2 3.46Å; L111-F312 VanDerWaalsContact CD2-CE2 3.46Å; L111-F312 HydrophobicContact CD2-CG 4.43Å; L111-F312 HydrophobicContact CD2-CZ 3.8Å; F121-F312 HydrophobicContact CE2-CB 4.27Å; F121-F312 HydrophobicContact CZ-CB 3.97Å; P124-F312 VanDerWaalsContact CA-O 3.29Å; P124-F312 WeakPolarHBondContact CA-O 3.36Å; I125-F312 HydrophobicContact CB-CB 4.28Å; I125-F312 PolarHBondContact N-O 2.72Å; I125-F312 PolarHBondContact O-N 3.36Å; V127-F312 HydrophobicContact CG2-CD2 4.22Å; V127-F312 HydrophobicContact CG2-CE2 3.9Å; L133-F312 HydrophobicContact CD1-CE2 4.28Å; L133-F312 HydrophobicContact CD1-CZ 4.3Å; L133-F312 HydrophobicContact CD2-CE2 4.12Å; L133-F312 HydrophobicContact CD2-CZ 4.07Å; P207-F312 HydrophobicContact CB-CE1 4Å; P207-F312 HydrophobicContact CB-CZ 3.98Å; P207-F312 HydrophobicContact CG-CE1 3.9Å; P207-F312 HydrophobicContact CG-CZ 3.94Å; I209-F312 HydrophobicContact CG2-CE1 3.94Å; I209-F312 HydrophobicContact CG2-CZ 4.23Å; V210-F312 HydrophobicContact CG2-CE1 4.04Å; V255-F312 CarbonylContact O-C 3.6Å; V255-F312 VanDerWaalsContact O-CA 3.26Å; V255-F312 WeakPolarHBondContact O-CA 3.35Å; W256-F312 HydrophobicContact CB-CD1 3.64Å; W256-F312 HydrophobicContact CB-CE1 3.57Å; W256-F312 HydrophobicContact CB-CZ 4.49Å; T310-F312 HydrophobicContact CG2-CD2 4.33Å; T310-F312 HydrophobicContact CG2-CE2 3.66Å; T310-F312 HydrophobicContact CG2-CZ 3.83Å
313I98.8Very high98.5Very high1 Ų116.4 Ų16.41%0.0059%0.089CC..EExtended strand (participates in β ladder)trans-106.7119.8178.5-57.4172.1000107.4S254 V255 F266 L268 L311 W317S254-I313 CarbonylContact C-O 3.59Å; S254-I313 VanDerWaalsContact CA-O 3.3Å; S254-I313 WeakPolarHBondContact CA-O 3.45Å; V255-I313 HydrophobicContact CB-CB 4.33Å; V255-I313 PolarHBondContact N-O 2.76Å; V255-I313 PolarHBondContact O-N 3.1Å; F266-I313 HydrophobicContact CD1-CD1 3.72Å; F266-I313 HydrophobicContact CE1-CD1 3.67Å; L268-I313 HydrophobicContact CD2-CD1 4.29Å; L268-I313 HydrophobicContact CD2-CG1 4.45Å; L311-I313 HydrophobicContact CD2-CD1 3.93Å; L311-I313 HydrophobicContact CD2-CG1 3.78Å; L311-I313 HydrophobicContact CG-CG1 3.97Å; I313-W317 HydrophobicContact CG2-CB 3.73Å
314P98.3Very high98.5Very high3 Ų317 Ų172%0.0199%0.093CC..  trans-80.2153.2178.325.3-28.3000113.2F121 G316 W317F121-P314 HydrophobicContact CD1-CB 4.04Å; F121-P314 HydrophobicContact CD2-CB 3.73Å; F121-P314 HydrophobicContact CD2-CG 4.08Å; F121-P314 HydrophobicContact CE1-CB 3.93Å; F121-P314 HydrophobicContact CE2-CB 3.62Å; F121-P314 HydrophobicContact CE2-CG 3.87Å; F121-P314 HydrophobicContact CG-CB 3.92Å; F121-P314 HydrophobicContact CZ-CB 3.71Å; F121-P314 HydrophobicContact CZ-CG 4.33Å; F121-P314 WeakPolarHBondContact O-CB 3.48Å; F121-P314 WeakPolarHBondContact O-CG 3.17Å; P314-G316 PolarHBondContact O-N 3.22Å; P314-W317 HydrophobicContact CG-CG 4.46Å; P314-W317 VanDerWaalsContact O-CD1 3.25Å; P314-W317 PolarHBondContact O-N 2.9Å
315T98Very high98.5Very high3 Ų318.2 Ų18.22%0.01810%0.099CC..THydrogen-bonded Turntrans-15.2116.4168.4-64.80000114.7G252 S254 W317 H336 N339 M342 Q343G252-T315 WeakPolarHBondContact O-CA 3.49Å; G252-T315 WeakPolarHBondContact O-CG2 3.4Å; S254-T315 PolarHBondContact OG-N 2.88Å; S254-T315 PolarHBondContact OG-OG1 3.2Å; T315-W317 VanDerWaalsContact C-N 3.32Å; T315-W317 PolarHBondContact O-N 3.38Å; T315-H336 PolarHBondContact OG1-CE1 3.43Å; T315-N339 HydrophobicContact CG2-CB 4.23Å; T315-M342 HydrophobicContact CG2-CB 3.54Å; T315-M342 HydrophobicContact CG2-CG 3.68Å; T315-Q343 HydrophobicContact CG2-CG 3.71Å; T315-Q343 PolarHBondContact OG1-NE2 3.04Å; T315-Q343 VanDerWaalsContact OG1-NE2 3.08Å
316G97.4Very high98.5Very high3 Ų320.9 Ų20.93%0.03111%0.113CC..THydrogen-bonded Turntrans81-4.6168.100000116.2P271 P314 I318P271-G316 WeakPolarHBondContact CB-O 3.44Å; P314-G316 PolarHBondContact O-N 3.22Å; G316-I318 PolarHBondContact O-N 3.48Å; G316-I318 VanDerWaalsContact O-N 3.15Å
317W98.6Very high98.5Very high6 Ų615.7 Ų15.72%0.0239%0.09CC..  trans-64.2115.4179.7-87.769.5000111.8S122 V123 P124 L268 R270 P271 I313 P314 T315 H319S122-W317 PolarHBondContact O-NE1 3.08Å; S122-W317 VanDerWaalsContact O-NE1 3.13Å; V123-W317 HydrophobicContact CB-CZ2 4.37Å; V123-W317 HydrophobicContact CG1-CZ2 4.13Å; P124-W317 HydrophobicContact CG-CD2 4Å; P124-W317 HydrophobicContact CG-CE3 3.86Å; P124-W317 HydrophobicContact CG-CH2 4.26Å; P124-W317 HydrophobicContact CG-CZ2 4.4Å; P124-W317 HydrophobicContact CG-CZ3 3.99Å; L268-W317 HydrophobicContact CB-CE3 4.12Å; L268-W317 HydrophobicContact CB-CZ3 4.14Å; R270-W317 HydrophobicContact CB-CH2 3.74Å; R270-W317 HydrophobicContact CB-CZ2 3.9Å; R270-W317 HydrophobicContact CB-CZ3 4.11Å; R270-W317 HydrophobicContact CG-CH2 4.09Å; R270-W317 HydrophobicContact CG-CZ2 3.76Å; P271-W317 HydrophobicContact CG-CG 4.2Å; I313-W317 HydrophobicContact CG2-CB 3.73Å; P314-W317 HydrophobicContact CG-CG 4.46Å; P314-W317 VanDerWaalsContact O-CD1 3.25Å; P314-W317 PolarHBondContact O-N 2.9Å; T315-W317 VanDerWaalsContact C-N 3.32Å; T315-W317 PolarHBondContact O-N 3.38Å; W317-H319 PolarHBondContact O-N 3Å; W317-H319 PolarHBondContact O-ND1 3.17Å
318I98.8Very high98.5Very high0 Ų011.1 Ų11.10%07%0.069CC..EExtended strand (participates in β ladder)trans-68.1126.8177.5-57.7150.6000107.9F246 H247 I248 I269 N275 L276 F279 F293 G316F246-I318 HydrophobicContact CB-CG2 4.16Å; F246-I318 HydrophobicContact CD1-CG2 4.17Å; H247-I318 CarbonylContact O-C 3.56Å; H247-I318 VanDerWaalsContact O-CA 3.32Å; H247-I318 WeakPolarHBondContact O-CA 3.29Å; I248-I318 HydrophobicContact CD1-CG1 3.73Å; I248-I318 HydrophobicContact CG1-CB 4.29Å; I248-I318 HydrophobicContact CG1-CG1 3.55Å; I269-I318 HydrophobicContact CB-CB 4.11Å; I269-I318 WeakPolarHBondContact CB-O 3.37Å; I269-I318 HydrophobicContact CG2-CB 4.41Å; I269-I318 HydrophobicContact CG2-CD1 4.27Å; I269-I318 PolarHBondContact N-O 3.01Å; I269-I318 PolarHBondContact O-N 3.27Å; N275-I318 HydrophobicContact CB-CD1 4.19Å; L276-I318 HydrophobicContact CD2-CD1 4.25Å; L276-I318 HydrophobicContact CD2-CG1 4.49Å; F279-I318 HydrophobicContact CB-CD1 3.75Å; F279-I318 HydrophobicContact CB-CG1 4.29Å; F279-I318 HydrophobicContact CD2-CG1 4.27Å; F279-I318 HydrophobicContact CD2-CG2 3.72Å; F279-I318 HydrophobicContact CE2-CG2 4.09Å; F279-I318 HydrophobicContact CG-CD1 4.15Å; F279-I318 HydrophobicContact CG-CG1 4.13Å; F279-I318 HydrophobicContact CG-CG2 4.4Å; F293-I318 HydrophobicContact CD1-CG2 4.09Å; F293-I318 HydrophobicContact CE1-CD1 4.25Å; F293-I318 HydrophobicContact CE1-CG2 3.83Å; G316-I318 PolarHBondContact O-N 3.48Å; G316-I318 VanDerWaalsContact O-N 3.15Å
319H98.8Very high98.5Very high9 Ų99.7 Ų9.74%0.0426%0.055CC..EExtended strand (participates in β ladder)trans-150.3150.5-17877.7-78.6000114.6F246 H247 D249 F266 Y267 L268 W317F246-H319 VanDerWaalsContact CA-O 3.32Å; F246-H319 WeakPolarHBondContact CA-O 3.48Å; H247-H319 AromaticContact CE1-CE1 3.7Å; H247-H319 AromaticContact CE1-NE2 3.55Å; H247-H319 PolarHBondContact N-O 3.09Å; H247-H319 PolarHBondContact ND1-O 2.92Å; H247-H319 VanDerWaalsContact ND1-O 3.16Å; H247-H319 AromaticContact NE2-CE1 3.41Å; H247-H319 PolarHBondContact NE2-CE1 2.83Å; H247-H319 AromaticContact NE2-NE2 3.59Å; H247-H319 PolarHBondContact O-N 3.06Å; D249-H319 IonicContact OD2-CE1 3.41Å; D249-H319 PolarHBondContact OD2-CE1 3.34Å; D249-H319 IonicContact OD2-ND1 2.68Å; F266-H319 AromaticContact CD1-CD2 3.7Å; Y267-H319 WeakPolarHBondContact O-CA 3.49Å; L268-H319 HydrophobicContact CD2-CB 3.9Å; W317-H319 PolarHBondContact O-N 3Å; W317-H319 PolarHBondContact O-ND1 3.17Å
320A98.6Very high98.6Very high0 Ų08.6 Ų8.60%05%0.049CC..EExtended strand (participates in β ladder)trans-119.2157.6169.500000110.4Y243 F246 F266 Y267Y243-A320 HydrophobicContact CE2-CB 4.12Å; Y243-A320 WeakPolarHBondContact OH-CB 3.45Å; F246-A320 HydrophobicContact CB-CB 4.44Å; F246-A320 HydrophobicContact CD1-CB 3.67Å; F246-A320 HydrophobicContact CD2-CB 3.81Å; F246-A320 HydrophobicContact CE1-CB 3.75Å; F246-A320 HydrophobicContact CE2-CB 3.91Å; F246-A320 HydrophobicContact CG-CB 3.72Å; F246-A320 HydrophobicContact CZ-CB 3.88Å; F266-A320 CarbonylContact C-O 3.52Å; F266-A320 WeakPolarHBondContact CA-O 3.16Å; Y267-A320 HydrophobicContact CD2-CB 4.38Å; Y267-A320 PolarHBondContact N-O 2.93Å; Y267-A320 PolarHBondContact O-N 3.42Å; Y267-A320 VanDerWaalsContact O-N 3.08Å
321V98.8Very high98.5Very high12 Ų128.7 Ų8.77%0.0735%0.051CC..EExtended strand (participates in β ladder)trans-133.2120-173.3-1700000111.8Y243 T244 K264 I265 F266Y243-V321 VanDerWaalsContact CA-O 3.31Å; Y243-V321 WeakPolarHBondContact CA-O 3.3Å; Y243-V321 WeakPolarHBondContact CD2-O 3.19Å; T244-V321 PolarHBondContact N-O 3.28Å; T244-V321 PolarHBondContact O-N 2.88Å; K264-V321 HydrophobicContact CD-CG1 3.85Å; I265-V321 WeakPolarHBondContact O-CA 3.32Å; F266-V321 HydrophobicContact CD1-CG2 3.69Å; F266-V321 HydrophobicContact CE1-CG1 4.4Å; F266-V321 HydrophobicContact CE1-CG2 3.64Å; F266-V321 HydrophobicContact CG-CG2 4.43Å; F266-V321 HydrophobicContact CZ-CG1 4.36Å; F266-V321 HydrophobicContact CZ-CG2 4.36Å
322L98.8Very high98.5Very high1 Ų18.8 Ų8.81%0.0055%0.051CC..EExtended strand (participates in β ladder)trans-101.1141.6168.6174.265.3000110.9I88 L91 R92 Y243 I265 Y267 P324I88-L322 HydrophobicContact CD1-CD1 4.04Å; I88-L322 HydrophobicContact CG2-CD1 3.93Å; L91-L322 HydrophobicContact CD2-CB 4.32Å; L91-L322 HydrophobicContact CD2-CD1 4.49Å; L91-L322 HydrophobicContact CD2-CD2 4.24Å; L91-L322 HydrophobicContact CG-CD2 4.38Å; R92-L322 HydrophobicContact CG-CD2 4Å; Y243-L322 HydrophobicContact CD2-CB 4.21Å; I265-L322 HydrophobicContact CB-CB 4.36Å; I265-L322 PolarHBondContact N-O 3.23Å; I265-L322 PolarHBondContact O-N 3.38Å; Y267-L322 HydrophobicContact CE2-CB 3.78Å; L322-P324 WeakPolarHBondContact O-CD 3.38Å
323T98.8Very high98.5Very high1 Ų19.1 Ų9.11%0.0065%0.053CC..EExtended strand (participates in β ladder)trans-105.789.4176.4-49.70000109.7V239 D241 S242 K264 V325 C327V239-T323 WeakPolarHBondContact O-CB 3.46Å; V239-T323 WeakPolarHBondContact O-CG2 3.19Å; D241-T323 PolarHBondContact N-O 3.15Å; S242-T323 WeakPolarHBondContact O-CB 3.43Å; S242-T323 PolarHBondContact O-N 3.47Å; S242-T323 PolarHBondContact O-OG1 3.26Å; K264-T323 HydrophobicContact CD-CG2 4.37Å; K264-T323 PolarHBondContact NZ-OG1 3.4Å; T323-V325 VanDerWaalsContact C-N 3.28Å; T323-V325 WeakPolarHBondContact CG2-O 3.28Å; T323-V325 PolarHBondContact O-N 3.4Å; T323-C327 HydrophobicContact CG2-CB 3.8Å
324P98.1Very high98.5Very high12 Ų129.3 Ų9.38%0.0785%0.054CC..EExtended strand (participates in β ladder)trans-64.3-27-174.624.9-37.6000114.7R92 E263 I265 L322R92-P324 PolarHBondContact NH2-O 3.34Å; E263-P324 HydrophobicContact CB-CG 3.91Å; E263-P324 HydrophobicContact CG-CG 3.81Å; E263-P324 VanDerWaalsContact O-CD 3.3Å; E263-P324 WeakPolarHBondContact O-CD 3.32Å; I265-P324 HydrophobicContact CD1-CB 4.03Å; I265-P324 HydrophobicContact CD1-CG 3.88Å; I265-P324 HydrophobicContact CG1-CG 3.98Å; L322-P324 WeakPolarHBondContact O-CD 3.38Å
325V98.3Very high98.5Very high67 Ų679.2 Ų9.241%0.4065%0.054SC..EExtended strand (participates in β ladder)trans-145.1159.1178.4-63.70000109.4E263 T323 C327E263-V325 HydrophobicContact CB-CG2 4.13Å; T323-V325 VanDerWaalsContact C-N 3.28Å; T323-V325 WeakPolarHBondContact CG2-O 3.28Å; T323-V325 PolarHBondContact O-N 3.4Å; V325-C327 PolarHBondContact O-N 3.3Å
326D98.5Very high98.5Very high55 Ų559.1 Ų9.129%0.2945%0.053SC..EExtended strand (participates in β ladder)trans-46.9128.8174.6-73.26.9000111.7R184 R240 G262R184-D326 IonicContact CZ-OD1 2.7Å; R184-D326 IonicContact CZ-OD2 2.68Å; R184-D326 VanDerWaalsContact CZ-OD2 3.29Å; R184-D326 VanDerWaalsContact NH1-CG 3.26Å; R184-D326 IonicContact NH1-OD1 2.77Å; R184-D326 PolarHBondContact NH1-OD1 3.26Å; R184-D326 IonicContact NH1-OD2 3.76Å; R184-D326 PolarHBondContact NH1-OD2 3.43Å; R184-D326 IonicContact NH2-OD1 3.73Å; R184-D326 IonicContact NH2-OD2 3.28Å; R184-D326 PolarHBondContact NH2-OD2 3.35Å; R240-D326 WeakPolarHBondContact CB-OD1 3.11Å; R240-D326 PolarHBondContact N-OD1 3.5Å; G262-D326 WeakPolarHBondContact CA-O 3.19Å
327C98.7Very high98.5Very high0 Ų010.3 Ų10.30%06%0.061CC..EExtended strand (participates in β ladder)trans-138.1135.4-164.8-178.90000112S238 K261 K264 T323 V325S238-C327 PolarHBondContact N-O 2.69Å; S238-C327 PolarHBondContact O-N 2.7Å; K261-C327 WeakPolarHBondContact O-CA 3.48Å; K261-C327 PolarHBondContact O-SG 3.37Å; K264-C327 VanDerWaalsContact CE-SG 3.51Å; T323-C327 HydrophobicContact CG2-CB 3.8Å; V325-C327 PolarHBondContact O-N 3.3Å
328L98.8Very high98.5Very high4 Ų410.5 Ų10.52%0.0216%0.062CC..EExtended strand (participates in β ladder)trans-120.7120.6166.7175.263.5000107.9F142 V147 M237 L260 K261F142-L328 HydrophobicContact CD1-CD2 4.11Å; V147-L328 HydrophobicContact CG2-CD1 4.25Å; M237-L328 HydrophobicContact CG-CD1 3.78Å; L260-L328 HydrophobicContact CD2-CD2 4.42Å; L260-L328 PolarHBondContact N-O 3.45Å; K261-L328 HydrophobicContact CB-CB 4.34Å; K261-L328 PolarHBondContact N-O 3.32Å; K261-L328 PolarHBondContact O-N 3.21Å
329A98.7Very high98.4Very high0 Ų012.9 Ų12.90%08%0.075CC..EExtended strand (participates in β ladder)trans-135.1157.5-177.700000111.5L236 Y257 H258 V259L236-A329 HydrophobicContact CB-CB 4.39Å; L236-A329 PolarHBondContact N-O 2.83Å; L236-A329 PolarHBondContact O-N 2.61Å; Y257-A329 HydrophobicContact CD1-CB 4.35Å; Y257-A329 HydrophobicContact CE1-CB 3.5Å; Y257-A329 VanDerWaalsContact CE1-CB 3.5Å; H258-A329 CarbonylContact O-C 3.49Å; H258-A329 VanDerWaalsContact O-CA 3.26Å; H258-A329 WeakPolarHBondContact O-CA 3.46Å; H258-A329 WeakPolarHBondContact O-CB 3.13Å; V259-A329 HydrophobicContact CG2-CB 4.44Å
330F98.8Very high98.4Very high0 Ų012.5 Ų12.50%07%0.073CC..EExtended strand (participates in β ladder)trans-121.4141.1174-73.1-86.2000109L137 P138 F142 F195 L200 V204 Y234 C235 W256 H258 L260L137-F330 HydrophobicContact CD2-CB 3.91Å; L137-F330 HydrophobicContact CD2-CD2 4.2Å; L137-F330 HydrophobicContact CD2-CG 4Å; P138-F330 HydrophobicContact CG-CE2 4.05Å; P138-F330 HydrophobicContact CG-CZ 4.12Å; F142-F330 HydrophobicContact CE1-CZ 4.14Å; F195-F330 AromaticContact CE1-CD1 3.66Å; F195-F330 HydrophobicContact CE1-CD1 3.66Å; F195-F330 AromaticContact CE1-CE1 3.76Å; F195-F330 HydrophobicContact CE1-CE1 3.76Å; F195-F330 AromaticContact CZ-CD1 3.62Å; F195-F330 HydrophobicContact CZ-CD1 3.62Å; F195-F330 AromaticContact CZ-CE1 3.66Å; F195-F330 HydrophobicContact CZ-CE1 3.66Å; L200-F330 HydrophobicContact CD2-CE1 4.24Å; V204-F330 HydrophobicContact CG2-CD1 3.89Å; V204-F330 HydrophobicContact CG2-CE1 3.8Å; V204-F330 HydrophobicContact CG2-CZ 4.38Å; Y234-F330 WeakPolarHBondContact O-CA 3.2Å; C235-F330 HydrophobicContact CB-CD1 4.4Å; C235-F330 HydrophobicContact CB-CE1 4.05Å; W256-F330 HydrophobicContact CH2-CB 4.08Å; W256-F330 HydrophobicContact CZ3-CB 4.33Å; H258-F330 PolarHBondContact N-O 3.05Å; H258-F330 PolarHBondContact O-N 3.36Å; L260-F330 HydrophobicContact CB-CD2 4.31Å; L260-F330 HydrophobicContact CD2-CD2 4.22Å; L260-F330 HydrophobicContact CD2-CE2 3.72Å
331G98.3Very high98.3Very high3 Ų316.6 Ų16.63%0.0319%0.092CC..EExtended strand (participates in β ladder)trans-158.1-174.3177.800000113Y234 W256Y234-G331 PolarHBondContact N-O 2.85Å; Y234-G331 PolarHBondContact O-N 2.83Å; W256-G331 VanDerWaalsContact CE2-C 3.48Å; W256-G331 VanDerWaalsContact CZ2-C 3.48Å; W256-G331 WeakPolarHBondContact CZ2-O 3.32Å; W256-G331 CarbonylContact O-C 3.55Å; W256-G331 WeakPolarHBondContact O-CA 3.18Å
332G98.1Very high98.2Very high1 Ų116.9 Ų16.91%0.019%0.093CC..EExtended strand (participates in β ladder)trans178.9156.717900000113.2V255 W256V255-G332 WeakPolarHBondContact CA-O 3.48Å; W256-G332 PolarHBondContact N-O 2.84Å; W256-G332 PolarHBondContact O-N 2.82Å; W256-G332 VanDerWaalsContact O-N 3.07Å
333N98.6Very high98.2Very high10 Ų1016.8 Ų16.85%0.0539%0.093CC..EExtended strand (participates in β ladder)trans-107.7143-171.5-68.559.7000109.8V231 D249 F250 T253 S254V231-N333 HydrophobicContact CB-CB 4.48Å; V231-N333 HydrophobicContact CG2-CB 4.37Å; V231-N333 PolarHBondContact O-N 3.1Å; D249-N333 PolarHBondContact OD1-ND2 2.99Å; F250-N333 HydrophobicContact CE1-CB 4.48Å; F250-N333 HydrophobicContact CE2-CB 3.9Å; F250-N333 HydrophobicContact CZ-CB 3.63Å; T253-N333 HydrophobicContact CG2-CB 4.13Å; T253-N333 PolarHBondContact OG1-ND2 3.25Å; S254-N333 CarbonylContact O-C 3.54Å; S254-N333 WeakPolarHBondContact O-CA 3.34Å
334F98.6Very high98.2Very high5 Ų517.5 Ų17.52%0.02210%0.096CC..EExtended strand (participates in β ladder)trans-150.4137.2-179.764.8-70.4000112.6F121 V210 L213 S254 H336F121-F334 HydrophobicContact CE1-CZ 4.18Å; V210-F334 HydrophobicContact CG1-CB 4.07Å; V210-F334 HydrophobicContact CG1-CD1 3.81Å; V210-F334 HydrophobicContact CG1-CD2 4.16Å; V210-F334 HydrophobicContact CG1-CE1 4.29Å; V210-F334 HydrophobicContact CG1-CG 3.78Å; V210-F334 HydrophobicContact CG2-CD1 4.17Å; V210-F334 HydrophobicContact CG2-CE1 3.79Å; V210-F334 HydrophobicContact CG2-CE2 4.39Å; V210-F334 HydrophobicContact CG2-CZ 3.91Å; L213-F334 HydrophobicContact CB-CD2 4.34Å; L213-F334 HydrophobicContact CB-CE2 4.15Å; L213-F334 HydrophobicContact CD1-CE2 4.45Å; S254-F334 PolarHBondContact N-O 3.23Å; S254-F334 WeakPolarHBondContact O-CD1 3.49Å; S254-F334 WeakPolarHBondContact O-CE1 3.41Å; S254-F334 PolarHBondContact O-N 2.88Å; F334-H336 AromaticContact CE2-CD2 3.66Å
335L98.7Very high98.2Very high2 Ų219.9 Ų19.91%0.0111%0.105CC..  trans-89.5148.4169.9-61.6171.4000109.8S214 W215 G251 T253 Q343 F361 F364 I367S214-L335 WeakPolarHBondContact CA-O 3.43Å; W215-L335 HydrophobicContact CB-CB 4.31Å; W215-L335 HydrophobicContact CD2-CB 3.62Å; W215-L335 HydrophobicContact CE3-CB 3.3Å; W215-L335 HydrophobicContact CE3-CD1 3.65Å; W215-L335 HydrophobicContact CE3-CG 4.08Å; W215-L335 HydrophobicContact CG-CB 4.07Å; W215-L335 HydrophobicContact CZ3-CB 3.85Å; W215-L335 HydrophobicContact CZ3-CD1 3.87Å; W215-L335 HydrophobicContact CZ3-CG 4.35Å; W215-L335 PolarHBondContact N-O 3.45Å; G251-L335 WeakPolarHBondContact O-CD2 3.37Å; T253-L335 HydrophobicContact CG2-CD2 3.51Å; T253-L335 HydrophobicContact CG2-CG 3.74Å; L335-Q343 HydrophobicContact CD2-CB 4.31Å; L335-Q343 HydrophobicContact CD2-CG 3.76Å; L335-F361 HydrophobicContact CD1-CD1 3.94Å; L335-F361 HydrophobicContact CD1-CD2 3.98Å; L335-F361 HydrophobicContact CD1-CE1 3.71Å; L335-F361 HydrophobicContact CD1-CE2 3.73Å; L335-F361 HydrophobicContact CD1-CG 4.09Å; L335-F361 HydrophobicContact CD1-CZ 3.61Å; L335-F361 HydrophobicContact CG-CD2 4.12Å; L335-F361 HydrophobicContact CG-CE2 3.79Å; L335-F361 HydrophobicContact CG-CZ 4.08Å; L335-F364 HydrophobicContact CD1-CD2 3.81Å; L335-F364 HydrophobicContact CD1-CE2 3.83Å; L335-F364 HydrophobicContact CD2-CE2 3.95Å; L335-I367 HydrophobicContact CD1-CG2 3.93Å
336H98.3Very high98.1Very high1 Ų116.9 Ų16.91%0.0059%0.088CC..  trans-156.4154.4-175.564.139.4000114.3F121 L213 W215 S254 T315 F334 L338 Q343F121-H336 AromaticContact CD1-NE2 3.32Å; F121-H336 VanDerWaalsContact CD1-NE2 3.32Å; F121-H336 WeakPolarHBondContact CD1-NE2 3.46Å; F121-H336 AromaticContact CE1-NE2 3.65Å; L213-H336 HydrophobicContact CB-CB 3.97Å; L213-H336 WeakPolarHBondContact O-CB 3.48Å; W215-H336 VanDerWaalsContact NE1-C 3.26Å; S254-H336 PolarHBondContact OG-CD2 3.23Å; S254-H336 PolarHBondContact OG-NE2 3.45Å; T315-H336 PolarHBondContact OG1-CE1 3.43Å; F334-H336 AromaticContact CE2-CD2 3.66Å; H336-L338 VanDerWaalsContact C-N 3.26Å; H336-L338 PolarHBondContact O-N 2.72Å; H336-L338 VanDerWaalsContact O-N 3.14Å; H336-Q343 PolarHBondContact ND1-NE2 3Å; H336-Q343 PolarHBondContact O-NE2 2.75Å; H336-Q343 PolarHBondContact O-OE1 2.99Å
337S97.8Very high98Very high28 Ų2814.9 Ų14.920%0.1968%0.076CC..G310 helixtrans-73.3-5.9-172.8-54.10000116W215 Y392W215-S337 VanDerWaalsContact NE1-N 3.16Å; W215-S337 PolarHBondContact NE1-OG 3.22Å; S337-Y392 WeakPolarHBondContact O-CD2 3.46Å
338L97.1Very high97.9Very high10 Ų1018.5 Ų18.55%0.0529%0.093CC..G310 helixtrans-68.9-31.9-178.2-61.3176.1000113.6L116 E117 F121 L213 H336 Y392L116-L338 HydrophobicContact CB-CD1 3.85Å; E117-L338 HydrophobicContact CG-CD2 4.17Å; F121-L338 HydrophobicContact CB-CD1 3.71Å; F121-L338 HydrophobicContact CD1-CD1 4.42Å; L213-L338 HydrophobicContact CD1-CD1 4.07Å; L213-L338 HydrophobicContact CD2-CD1 4.5Å; H336-L338 VanDerWaalsContact C-N 3.26Å; H336-L338 PolarHBondContact O-N 2.72Å; H336-L338 VanDerWaalsContact O-N 3.14Å; L338-Y392 HydrophobicContact CD2-CD2 4.21Å; L338-Y392 HydrophobicContact CD2-CE1 4.24Å; L338-Y392 HydrophobicContact CD2-CE2 3.81Å
339N96.9Very high97.6Very high49 Ų4918.8 Ų18.826%0.2629%0.094SC..G310 helixtrans-145.153.5-175.3-165.22.7000113.2T315 E341 M342 Q343T315-N339 HydrophobicContact CG2-CB 4.23Å; N339-E341 PolarHBondContact O-N 3.34Å; N339-M342 WeakPolarHBondContact ND2-CB 3.37Å; N339-M342 PolarHBondContact O-N 2.95Å; N339-M342 VanDerWaalsContact O-N 3.13Å; N339-M342 WeakPolarHBondContact OD1-CB 3.4Å; N339-M342 PolarHBondContact OD1-N 2.98Å; N339-Q343 PolarHBondContact O-N 3.44Å
340I98.3Very high97.2Very high1 Ų119.5 Ų19.51%0.00510%0.098CC..Hα-helixtrans-56.8-36.6-177.8-45.5-167.2000112.2W215 M342 Q343 L344 I375 L400W215-I340 HydrophobicContact CH2-CG2 4.03Å; W215-I340 HydrophobicContact CZ2-CD1 4.03Å; W215-I340 HydrophobicContact CZ2-CG1 3.97Å; W215-I340 HydrophobicContact CZ2-CG2 4.21Å; I340-M342 VanDerWaalsContact C-N 3.26Å; I340-M342 PolarHBondContact O-N 2.97Å; I340-Q343 PolarHBondContact O-N 3.39Å; I340-L344 HydrophobicContact CG2-CD1 3.99Å; I340-L344 HydrophobicContact CG2-CG 4.4Å; I340-L344 WeakPolarHBondContact O-CG 3.4Å; I340-L344 PolarHBondContact O-N 2.9Å; I340-L344 VanDerWaalsContact O-N 3.08Å; I340-I375 HydrophobicContact CD1-CD1 3.58Å; I340-L400 HydrophobicContact CG2-CB 4.22Å; I340-L400 HydrophobicContact CG2-CD1 4.48Å
341E97.2Very high96.6Very high86 Ų8623 Ų2340%0.40211%0.113SC..Hα-helixtrans-61.7-34-179.8-168.8-172.8132.200112.3N339 K345 A399N339-E341 PolarHBondContact O-N 3.34Å; E341-K345 VanDerWaalsContact O-CG 3.3Å; E341-K345 WeakPolarHBondContact O-CG 3.16Å; E341-K345 PolarHBondContact O-N 2.71Å; E341-K345 VanDerWaalsContact O-N 3.12Å; E341-K345 VanDerWaalsContact OE1-CE 3.26Å; E341-K345 WeakPolarHBondContact OE1-CE 3.27Å; E341-K345 IonicContact OE1-NZ 3.68Å; E341-K345 PolarHBondContact OE1-NZ 2.84Å; E341-A399 HydrophobicContact CB-CB 3.96Å; E341-A399 HydrophobicContact CG-CB 4.09Å
342M97.8Very high96.1Very high18 Ų1829 Ų299%0.08914%0.135CC..Hα-helixtrans-84.2-31.4-179.2-171.768.780.600112.9P271 L276 T315 N339 I340 K345 A346P271-M342 HydrophobicContact CB-CE 3.94Å; P271-M342 HydrophobicContact CB-SD 4.3Å; P271-M342 HydrophobicContact CG-CE 4.19Å; P271-M342 WeakPolarHBondContact O-CE 3.45Å; L276-M342 HydrophobicContact CD1-CE 4.02Å; L276-M342 HydrophobicContact CD1-SD 3.68Å; T315-M342 HydrophobicContact CG2-CB 3.54Å; T315-M342 HydrophobicContact CG2-CG 3.68Å; N339-M342 WeakPolarHBondContact ND2-CB 3.37Å; N339-M342 PolarHBondContact O-N 2.95Å; N339-M342 VanDerWaalsContact O-N 3.13Å; N339-M342 WeakPolarHBondContact OD1-CB 3.4Å; N339-M342 PolarHBondContact OD1-N 2.98Å; I340-M342 VanDerWaalsContact C-N 3.26Å; I340-M342 PolarHBondContact O-N 2.97Å; M342-K345 PolarHBondContact O-N 2.75Å; M342-K345 HydrophobicContact SD-CB 4.28Å; M342-K345 HydrophobicContact SD-CD 4.03Å; M342-A346 PolarHBondContact O-N 3.21Å
343Q98.6Very high95.2Very high0 Ų031.3 Ų31.30%015%0.146CC..Hα-helixtrans-59.2-48.6168.2-75.3152.528.400110.6G252 T315 L335 H336 N339 I340 K345 A346 Y347 F364G252-Q343 WeakPolarHBondContact O-CG 3.05Å; T315-Q343 HydrophobicContact CG2-CG 3.71Å; T315-Q343 PolarHBondContact OG1-NE2 3.04Å; T315-Q343 VanDerWaalsContact OG1-NE2 3.08Å; L335-Q343 HydrophobicContact CD2-CB 4.31Å; L335-Q343 HydrophobicContact CD2-CG 3.76Å; H336-Q343 PolarHBondContact ND1-NE2 3Å; H336-Q343 PolarHBondContact O-NE2 2.75Å; H336-Q343 PolarHBondContact O-OE1 2.99Å; N339-Q343 PolarHBondContact O-N 3.44Å; I340-Q343 PolarHBondContact O-N 3.39Å; Q343-K345 VanDerWaalsContact C-N 3.32Å; Q343-K345 PolarHBondContact O-N 3.09Å; Q343-A346 PolarHBondContact O-N 3.04Å; Q343-Y347 PolarHBondContact O-N 3.22Å; Q343-F364 HydrophobicContact CB-CZ 4.47Å
344L98.3Very high94.3Very high16 Ų1636 Ų368%0.08418%0.18CC..Hα-helixtrans-61.1-37175.2-67.2168.5000112.7I340 E348 F364 A399 L400 A403 W407I340-L344 HydrophobicContact CG2-CD1 3.99Å; I340-L344 HydrophobicContact CG2-CG 4.4Å; I340-L344 WeakPolarHBondContact O-CG 3.4Å; I340-L344 PolarHBondContact O-N 2.9Å; I340-L344 VanDerWaalsContact O-N 3.08Å; L344-E348 WeakPolarHBondContact O-CB 3.36Å; L344-E348 WeakPolarHBondContact O-CG 3.38Å; L344-E348 PolarHBondContact O-N 3.46Å; L344-F364 HydrophobicContact CD2-CE1 4.15Å; L344-F364 HydrophobicContact CD2-CZ 4.43Å; L344-A399 HydrophobicContact CD1-CB 4Å; L344-L400 HydrophobicContact CD1-CD1 4.46Å; L344-A403 HydrophobicContact CD1-CB 4.12Å; L344-A403 HydrophobicContact CD2-CB 3.91Å; L344-W407 HydrophobicContact CD2-CH2 4.12Å; L344-W407 HydrophobicContact CD2-CZ2 4.08Å
345K97.6Very high93.3Very high62 Ų6237.4 Ų37.427%0.2719%0.189SC..Hα-helixtrans-66.2-39.6175.1-78.6169.8-173.3167.80113.2E341 M342 Q343 E348 I349E341-K345 VanDerWaalsContact O-CG 3.3Å; E341-K345 WeakPolarHBondContact O-CG 3.16Å; E341-K345 PolarHBondContact O-N 2.71Å; E341-K345 VanDerWaalsContact O-N 3.12Å; E341-K345 VanDerWaalsContact OE1-CE 3.26Å; E341-K345 WeakPolarHBondContact OE1-CE 3.27Å; E341-K345 IonicContact OE1-NZ 3.68Å; E341-K345 PolarHBondContact OE1-NZ 2.84Å; M342-K345 PolarHBondContact O-N 2.75Å; M342-K345 HydrophobicContact SD-CB 4.28Å; M342-K345 HydrophobicContact SD-CD 4.03Å; Q343-K345 VanDerWaalsContact C-N 3.32Å; Q343-K345 PolarHBondContact O-N 3.09Å; K345-E348 PolarHBondContact O-N 3.27Å; K345-I349 WeakPolarHBondContact O-CD1 3.49Å; K345-I349 VanDerWaalsContact O-CG1 3.27Å; K345-I349 WeakPolarHBondContact O-CG1 3.31Å; K345-I349 PolarHBondContact O-N 2.62Å
346A96.9Very high92.1Very high4 Ų440.1 Ų40.13%0.03321%0.211CC..Hα-helixtrans-66.2-47.7177.500000111.1I248 M342 Q343 E348 I349 E350I248-A346 HydrophobicContact CG2-CB 4.21Å; M342-A346 PolarHBondContact O-N 3.21Å; Q343-A346 PolarHBondContact O-N 3.04Å; A346-E348 VanDerWaalsContact C-N 3.3Å; A346-E348 PolarHBondContact O-N 3.05Å; A346-I349 CarbonylContact O-C 3.6Å; A346-I349 WeakPolarHBondContact O-CA 3.44Å; A346-I349 WeakPolarHBondContact O-CB 3.28Å; A346-I349 PolarHBondContact O-N 3.3Å; A346-E350 WeakPolarHBondContact O-CG 3.44Å; A346-E350 PolarHBondContact O-N 2.88Å
347Y97.1Very high90.9Very high13 Ų1345.8 Ų45.85%0.05124%0.242CC..Hα-helixtrans-55.2-42.9173.5179.8-107000112.8Q343 I349 E350 K351 F364 E365 W407Q343-Y347 PolarHBondContact O-N 3.22Å; Y347-I349 VanDerWaalsContact C-N 3.33Å; Y347-I349 PolarHBondContact O-N 3.03Å; Y347-E350 PolarHBondContact O-N 3.08Å; Y347-K351 HydrophobicContact CD1-CD 4.24Å; Y347-K351 HydrophobicContact CE1-CD 3.61Å; Y347-K351 HydrophobicContact CE1-CG 4.45Å; Y347-K351 PolarHBondContact O-N 3.26Å; Y347-K351 PolarHBondContact OH-NZ 3Å; Y347-F364 AromaticContact CD1-CD1 3.8Å; Y347-F364 HydrophobicContact CD1-CD1 3.8Å; Y347-F364 AromaticContact CD1-CE1 3.67Å; Y347-F364 HydrophobicContact CD1-CE1 3.67Å; Y347-F364 HydrophobicContact CD2-CB 4.2Å; Y347-F364 AromaticContact CD2-CD1 3.37Å; Y347-F364 HydrophobicContact CD2-CD1 3.37Å; Y347-F364 HydrophobicContact CD2-CD2 4.46Å; Y347-F364 AromaticContact CD2-CE1 3.77Å; Y347-F364 HydrophobicContact CD2-CE1 3.77Å; Y347-F364 AromaticContact CD2-CG 3.76Å; Y347-F364 HydrophobicContact CD2-CG 3.76Å; Y347-F364 HydrophobicContact CD2-CZ 4.46Å; Y347-F364 HydrophobicContact CE1-CD1 4.03Å; Y347-F364 HydrophobicContact CE1-CE1 4.31Å; Y347-F364 HydrophobicContact CE2-CB 4.01Å; Y347-F364 AromaticContact CE2-CD1 3.63Å; Y347-F364 HydrophobicContact CE2-CD1 3.63Å; Y347-F364 HydrophobicContact CE2-CE1 4.4Å; Y347-F364 HydrophobicContact CE2-CG 4.02Å; Y347-F364 AromaticContact CG-CD1 3.46Å; Y347-F364 HydrophobicContact CG-CD1 3.46Å; Y347-F364 VanDerWaalsContact CG-CD1 3.46Å; Y347-F364 AromaticContact CG-CE1 3.37Å; Y347-F364 HydrophobicContact CG-CE1 3.37Å; Y347-F364 HydrophobicContact CG-CG 4.25Å; Y347-F364 HydrophobicContact CG-CZ 4.09Å; Y347-F364 AromaticContact CZ-CD1 3.97Å; Y347-E365 HydrophobicContact CE1-CG 4.02Å; Y347-E365 VanDerWaalsContact CE1-OE1 3.26Å; Y347-E365 WeakPolarHBondContact CE1-OE1 3.14Å; Y347-E365 PolarHBondContact OH-OE1 3.36Å; Y347-W407 HydrophobicContact CE1-CZ2 4.3Å
348E95.6Very high89.7Confident76 Ų7650.9 Ų50.936%0.35527%0.266SS..Hα-helixtrans-67.1-30.2174.7-70.6-77.6161.200112.9L344 K345 A346 R352L344-E348 WeakPolarHBondContact O-CB 3.36Å; L344-E348 WeakPolarHBondContact O-CG 3.38Å; L344-E348 PolarHBondContact O-N 3.46Å; K345-E348 PolarHBondContact O-N 3.27Å; A346-E348 VanDerWaalsContact C-N 3.3Å; A346-E348 PolarHBondContact O-N 3.05Å; E348-R352 VanDerWaalsContact C-NH1 3.26Å; E348-R352 WeakPolarHBondContact O-CG 3.4Å; E348-R352 PolarHBondContact O-N 3.09Å; E348-R352 PolarHBondContact O-NH1 2.96Å
349I91.7Very high88.9Confident10 Ų1055.5 Ų55.55%0.05129%0.286CS..Hα-helixtrans-69.8-45.9171.2-69.7160.9000110.3L276 E280 K345 A346 Y347 K351 R352 L353L276-I349 HydrophobicContact CB-CD1 4.42Å; L276-I349 HydrophobicContact CD2-CD1 4.24Å; E280-I349 HydrophobicContact CG-CG2 4.39Å; K345-I349 WeakPolarHBondContact O-CD1 3.49Å; K345-I349 VanDerWaalsContact O-CG1 3.27Å; K345-I349 WeakPolarHBondContact O-CG1 3.31Å; K345-I349 PolarHBondContact O-N 2.62Å; A346-I349 CarbonylContact O-C 3.6Å; A346-I349 WeakPolarHBondContact O-CA 3.44Å; A346-I349 WeakPolarHBondContact O-CB 3.28Å; A346-I349 PolarHBondContact O-N 3.3Å; Y347-I349 VanDerWaalsContact C-N 3.33Å; Y347-I349 PolarHBondContact O-N 3.03Å; I349-K351 VanDerWaalsContact C-N 3.29Å; I349-K351 PolarHBondContact O-N 3.13Å; I349-R352 VanDerWaalsContact CG1-NH2 3.31Å; I349-R352 PolarHBondContact O-N 3.26Å; I349-L353 HydrophobicContact CG2-CD1 3.68Å; I349-L353 HydrophobicContact CG2-CG 4.12Å; I349-L353 WeakPolarHBondContact O-CG 3.34Å; I349-L353 PolarHBondContact O-N 2.86Å
350E90.3Very high88.4Confident15 Ų1555 Ų557%0.0728%0.282CS..Hα-helixtrans-56.7-41.3176.9-69.4158.2-147.400111.6G251 G252 A346 Y347 S354 T355G251-E350 VanDerWaalsContact N-CD 3.34Å; G251-E350 PolarHBondContact N-OE1 2.96Å; G251-E350 PolarHBondContact N-OE2 2.92Å; G251-E350 VanDerWaalsContact N-OE2 3.08Å; G252-E350 PolarHBondContact N-OE1 3.36Å; A346-E350 WeakPolarHBondContact O-CG 3.44Å; A346-E350 PolarHBondContact O-N 2.88Å; Y347-E350 PolarHBondContact O-N 3.08Å; E350-S354 PolarHBondContact O-N 3.38Å; E350-T355 PolarHBondContact O-N 3.23Å; E350-T355 VanDerWaalsContact O-N 3.13Å; E350-T355 PolarHBondContact O-OG1 3.46Å
351K87.1Confident88.3Confident74 Ų7455.3 Ų55.332%0.32228%0.283SS..Hα-helixtrans-63.6-40.6172.8-73.6-178.2117.4148.30112.8Y347 I349 S354 E365 H416Y347-K351 HydrophobicContact CD1-CD 4.24Å; Y347-K351 HydrophobicContact CE1-CD 3.61Å; Y347-K351 HydrophobicContact CE1-CG 4.45Å; Y347-K351 PolarHBondContact O-N 3.26Å; Y347-K351 PolarHBondContact OH-NZ 3Å; I349-K351 VanDerWaalsContact C-N 3.29Å; I349-K351 PolarHBondContact O-N 3.13Å; K351-S354 PolarHBondContact O-N 2.91Å; K351-E365 IonicContact NZ-OE1 3.8Å; K351-E365 PolarHBondContact NZ-OE1 3.43Å; K351-H416 PolarHBondContact NZ-CE1 3.39Å; K351-H416 VanDerWaalsContact NZ-CE1 3.32Å
352R86.8Confident88.2Confident129 Ų12953.9 Ų53.949%0.48728%0.281SS..Hα-helixtrans-77-25.2179.7-70.9-168-51.9-76.6-1.9114.4E280 E348 I349E280-R352 VanDerWaalsContact CD-NH2 3.3Å; E280-R352 IonicContact OE1-CZ 3.39Å; E280-R352 IonicContact OE1-NE 2.69Å; E280-R352 PolarHBondContact OE1-NE 3.24Å; E280-R352 IonicContact OE1-NH2 3.5Å; E280-R352 PolarHBondContact OE1-NH2 3.3Å; E280-R352 IonicContact OE2-CZ 3.99Å; E280-R352 IonicContact OE2-NE 2.88Å; E280-R352 IonicContact OE2-NH2 2.66Å; E280-R352 PolarHBondContact OE2-NH2 3.38Å; E348-R352 VanDerWaalsContact C-NH1 3.26Å; E348-R352 WeakPolarHBondContact O-CG 3.4Å; E348-R352 PolarHBondContact O-N 3.09Å; E348-R352 PolarHBondContact O-NH1 2.96Å; I349-R352 VanDerWaalsContact CG1-NH2 3.31Å; I349-R352 PolarHBondContact O-N 3.26Å
353L79.6Confident88.1Confident48 Ų4855.3 Ų55.325%0.25129%0.289SS..THydrogen-bonded Turntrans-82.1-0.1171.9-67.7177.8000112.9E280 I349 T355E280-L353 HydrophobicContact CG-CD2 4.16Å; I349-L353 HydrophobicContact CG2-CD1 3.68Å; I349-L353 HydrophobicContact CG2-CG 4.12Å; I349-L353 WeakPolarHBondContact O-CG 3.34Å; I349-L353 PolarHBondContact O-N 2.86Å; L353-T355 PolarHBondContact O-N 3.32Å
354S81.1Confident88.1Confident108 Ų10855.4 Ų55.476%0.75529%0.289SS*.THydrogen-bonded Turntrans52.637.7-175.6-58.90000113.1E350 K351 A356E350-S354 PolarHBondContact O-N 3.38Å; K351-S354 PolarHBondContact O-N 2.91Å; S354-A356 PolarHBondContact O-N 2.78Å
355T77.1Confident88.1Confident36 Ų3654.6 Ų54.622%0.22129%0.285CS..  trans-56.4133.6178.8-57.40000110.5E350 L353 F359 K360E350-T355 PolarHBondContact O-N 3.23Å; E350-T355 VanDerWaalsContact O-N 3.13Å; E350-T355 PolarHBondContact O-OG1 3.46Å; L353-T355 PolarHBondContact O-N 3.32Å; T355-F359 HydrophobicContact CG2-CB 3.82Å; T355-K360 HydrophobicContact CG2-CG 4.23Å; T355-K360 WeakPolarHBondContact O-CE 3.48Å; T355-K360 PolarHBondContact O-NZ 3.18Å
356A72.6Confident88.1Confident58 Ų5851.7 Ų51.748%0.47927%0.273SS..  trans-68.2146.4176.100000111.2S354 L358 F359S354-A356 PolarHBondContact O-N 2.78Å; A356-L358 VanDerWaalsContact C-N 3.26Å; A356-L358 PolarHBondContact O-N 3Å; A356-F359 HydrophobicContact CB-CD2 4.27Å; A356-F359 PolarHBondContact O-N 3.32Å
357D73.4Confident88.1Confident121 Ų12151.5 Ų51.565%0.64727%0.271SS*.G310 helixtrans-66.2-24.3-166.5-54.7-69000114.5F359 K360D357-F359 PolarHBondContact O-N 2.88Å; D357-F359 VanDerWaalsContact O-N 3.16Å; D357-K360 PolarHBondContact O-N 2.72Å; D357-K360 IonicContact OD1-NZ 2.8Å; D357-K360 PolarHBondContact OD1-NZ 2.92Å
358L72.3Confident88.2Confident134 Ų13450.9 Ų50.970%0.70227%0.269SS*.G310 helixtrans-58.6-23.2169.9-175.562.7000113.2A356A356-L358 VanDerWaalsContact C-N 3.26Å; A356-L358 PolarHBondContact O-N 3Å
359F79.8Confident88.3Confident107 Ų10747.3 Ų47.347%0.46925%0.252SS..G310 helixtrans-107.816.5177.7-54-67.1000112.9F250 T355 A356 D357F250-F359 WeakPolarHBondContact CB-O 3.39Å; T355-F359 HydrophobicContact CG2-CB 3.82Å; A356-F359 HydrophobicContact CB-CD2 4.27Å; A356-F359 PolarHBondContact O-N 3.32Å; D357-F359 PolarHBondContact O-N 2.88Å; D357-F359 VanDerWaalsContact O-N 3.16Å
360K88.1Confident88.6Confident39 Ų3947.8 Ų47.817%0.1725%0.253CS..SBendtrans-107.1167.9171.4-65.3-172.9-177.71140110.7T355 D357 P362T355-K360 HydrophobicContact CG2-CG 4.23Å; T355-K360 WeakPolarHBondContact O-CE 3.48Å; T355-K360 PolarHBondContact O-NZ 3.18Å; D357-K360 PolarHBondContact O-N 2.72Å; D357-K360 IonicContact OD1-NZ 2.8Å; D357-K360 PolarHBondContact OD1-NZ 2.92Å; K360-P362 WeakPolarHBondContact O-CD 3.2Å
361F95.7Very high89Confident7 Ų747 Ų473%0.03125%0.25CC..  trans-73.6123170.6-170.3-80.1000109.9V216 P229 V231 F250 T253 L335 N363 F364 I367V216-F361 HydrophobicContact CG2-CE1 4.44Å; V216-F361 HydrophobicContact CG2-CZ 3.85Å; P229-F361 HydrophobicContact CB-CE1 3.89Å; P229-F361 HydrophobicContact CB-CZ 4.01Å; P229-F361 HydrophobicContact CG-CE1 4.03Å; V231-F361 HydrophobicContact CG2-CD2 4.46Å; V231-F361 HydrophobicContact CG2-CE2 3.74Å; V231-F361 HydrophobicContact CG2-CZ 4.26Å; F250-F361 HydrophobicContact CD2-CB 3.91Å; F250-F361 AromaticContact CD2-CD2 3.82Å; F250-F361 HydrophobicContact CD2-CD2 3.82Å; F250-F361 HydrophobicContact CD2-CG 4.31Å; F250-F361 AromaticContact CE2-CD2 3.87Å; F250-F361 HydrophobicContact CE2-CD2 3.87Å; T253-F361 HydrophobicContact CG2-CD2 3.53Å; T253-F361 HydrophobicContact CG2-CE2 3.71Å; L335-F361 HydrophobicContact CD1-CD1 3.94Å; L335-F361 HydrophobicContact CD1-CD2 3.98Å; L335-F361 HydrophobicContact CD1-CE1 3.71Å; L335-F361 HydrophobicContact CD1-CE2 3.73Å; L335-F361 HydrophobicContact CD1-CG 4.09Å; L335-F361 HydrophobicContact CD1-CZ 3.61Å; L335-F361 HydrophobicContact CG-CD2 4.12Å; L335-F361 HydrophobicContact CG-CE2 3.79Å; L335-F361 HydrophobicContact CG-CZ 4.08Å; F361-N363 PolarHBondContact O-N 2.94Å; F361-F364 HydrophobicContact CB-CB 4.23Å; F361-F364 HydrophobicContact CB-CD2 3.91Å; F361-F364 HydrophobicContact CD1-CB 4.07Å; F361-F364 HydrophobicContact CD1-CD2 4.04Å; F361-F364 HydrophobicContact CG-CD2 4.07Å; F361-I367 HydrophobicContact CE1-CG2 3.98Å
362P94.9Very high89.5Confident57 Ų5743.5 Ų43.537%0.3723%0.234SC..THydrogen-bonded Turntrans-62.8134-179.9-22.133.1000112.1P229 V231 K360 F364P229-P362 HydrophobicContact CB-CB 4.16Å; P229-P362 HydrophobicContact CG-CB 4.36Å; P229-P362 WeakPolarHBondContact CG-O 3.35Å; V231-P362 HydrophobicContact CG1-CG 4.43Å; K360-P362 WeakPolarHBondContact O-CD 3.2Å; P362-F364 VanDerWaalsContact C-N 3.31Å; P362-F364 PolarHBondContact O-N 2.85Å
363N96.2Very high90Very high47 Ų4741.4 Ų41.425%0.25123%0.229SC..THydrogen-bonded Turntrans53.543.8176-51.7-31.7000113.2W220 E227 P229 F361 T366 I367 E419W220-N363 HydrophobicContact CH2-CB 3.62Å; W220-N363 HydrophobicContact CZ3-CB 4.15Å; E227-N363 PolarHBondContact O-ND2 3.19Å; P229-N363 HydrophobicContact CG-CB 4.36Å; F361-N363 PolarHBondContact O-N 2.94Å; N363-T366 WeakPolarHBondContact O-CB 3.44Å; N363-T366 PolarHBondContact O-N 3.01Å; N363-I367 PolarHBondContact O-N 3.17Å; N363-E419 VanDerWaalsContact C-OE2 3.25Å
364F97.9Very high90.9Very high2 Ų243 Ų431%0.00924%0.235CC..Hα-helixtrans-64.7-43.1-173.3-179.9-94.2000113.6G251 L335 Q343 L344 Y347 F361 P362 T366 I367 C368 E419G251-F364 WeakPolarHBondContact O-CE2 3.38Å; L335-F364 HydrophobicContact CD1-CD2 3.81Å; L335-F364 HydrophobicContact CD1-CE2 3.83Å; L335-F364 HydrophobicContact CD2-CE2 3.95Å; Q343-F364 HydrophobicContact CB-CZ 4.47Å; L344-F364 HydrophobicContact CD2-CE1 4.15Å; L344-F364 HydrophobicContact CD2-CZ 4.43Å; Y347-F364 AromaticContact CD1-CD1 3.8Å; Y347-F364 HydrophobicContact CD1-CD1 3.8Å; Y347-F364 AromaticContact CD1-CE1 3.67Å; Y347-F364 HydrophobicContact CD1-CE1 3.67Å; Y347-F364 HydrophobicContact CD2-CB 4.2Å; Y347-F364 AromaticContact CD2-CD1 3.37Å; Y347-F364 HydrophobicContact CD2-CD1 3.37Å; Y347-F364 HydrophobicContact CD2-CD2 4.46Å; Y347-F364 AromaticContact CD2-CE1 3.77Å; Y347-F364 HydrophobicContact CD2-CE1 3.77Å; Y347-F364 AromaticContact CD2-CG 3.76Å; Y347-F364 HydrophobicContact CD2-CG 3.76Å; Y347-F364 HydrophobicContact CD2-CZ 4.46Å; Y347-F364 HydrophobicContact CE1-CD1 4.03Å; Y347-F364 HydrophobicContact CE1-CE1 4.31Å; Y347-F364 HydrophobicContact CE2-CB 4.01Å; Y347-F364 AromaticContact CE2-CD1 3.63Å; Y347-F364 HydrophobicContact CE2-CD1 3.63Å; Y347-F364 HydrophobicContact CE2-CE1 4.4Å; Y347-F364 HydrophobicContact CE2-CG 4.02Å; Y347-F364 AromaticContact CG-CD1 3.46Å; Y347-F364 HydrophobicContact CG-CD1 3.46Å; Y347-F364 VanDerWaalsContact CG-CD1 3.46Å; Y347-F364 AromaticContact CG-CE1 3.37Å; Y347-F364 HydrophobicContact CG-CE1 3.37Å; Y347-F364 HydrophobicContact CG-CG 4.25Å; Y347-F364 HydrophobicContact CG-CZ 4.09Å; Y347-F364 AromaticContact CZ-CD1 3.97Å; F361-F364 HydrophobicContact CB-CB 4.23Å; F361-F364 HydrophobicContact CB-CD2 3.91Å; F361-F364 HydrophobicContact CD1-CB 4.07Å; F361-F364 HydrophobicContact CD1-CD2 4.04Å; F361-F364 HydrophobicContact CG-CD2 4.07Å; P362-F364 VanDerWaalsContact C-N 3.31Å; P362-F364 PolarHBondContact O-N 2.85Å; F364-T366 VanDerWaalsContact C-N 3.35Å; F364-I367 VanDerWaalsContact O-CG2 3.26Å; F364-I367 WeakPolarHBondContact O-CG2 3.38Å; F364-C368 WeakPolarHBondContact O-CB 3.49Å; F364-C368 PolarHBondContact O-N 2.83Å; F364-C368 VanDerWaalsContact O-N 3.08Å; F364-C368 PolarHBondContact O-SG 2.96Å; F364-E419 PolarHBondContact N-OE2 2.72Å
365E97.8Very high91.7Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-72.9-34.1177.7-57.4-164.1-176.200110.2Y347 K351 C368 W369 W407 H416 E419Y347-E365 HydrophobicContact CE1-CG 4.02Å; Y347-E365 VanDerWaalsContact CE1-OE1 3.26Å; Y347-E365 WeakPolarHBondContact CE1-OE1 3.14Å; Y347-E365 PolarHBondContact OH-OE1 3.36Å; K351-E365 IonicContact NZ-OE1 3.8Å; K351-E365 PolarHBondContact NZ-OE1 3.43Å; E365-C368 CarbonylContact O-C 3.59Å; E365-C368 WeakPolarHBondContact O-CA 3.47Å; E365-C368 VanDerWaalsContact O-CB 3.29Å; E365-C368 WeakPolarHBondContact O-CB 3.39Å; E365-C368 PolarHBondContact O-N 3.28Å; E365-W369 PolarHBondContact O-N 2.96Å; E365-W407 HydrophobicContact CB-CE3 4.2Å; E365-W407 HydrophobicContact CB-CH2 4.02Å; E365-W407 HydrophobicContact CB-CZ3 3.77Å; E365-W407 HydrophobicContact CG-CD2 4.36Å; E365-W407 HydrophobicContact CG-CE3 4.19Å; E365-W407 HydrophobicContact CG-CH2 3.66Å; E365-W407 HydrophobicContact CG-CZ2 3.83Å; E365-W407 HydrophobicContact CG-CZ3 3.85Å; E365-W407 VanDerWaalsContact OE2-CD2 3.25Å; E365-H416 IonicContact OE1-CE1 3.23Å; E365-H416 PolarHBondContact OE1-CE1 2.84Å; E365-H416 IonicContact OE1-ND1 2.98Å; E365-H416 PolarHBondContact OE1-ND1 3.1Å; E365-H416 IonicContact OE2-CE1 2.69Å; E365-H416 IonicContact OE2-CG 2.64Å; E365-H416 IonicContact OE2-ND1 2.66Å; E365-H416 PolarHBondContact OE2-ND1 2.94Å; E365-E419 WeakPolarHBondContact CA-OE2 3.31Å; E365-E419 HydrophobicContact CB-CB 3.95Å; E365-E419 HydrophobicContact CB-CG 4.43Å; E365-E419 WeakPolarHBondContact CB-OE2 3.44Å; E365-E419 PolarHBondContact N-OE2 2.94Å
366T97.9Very high92.7Very high0 Ų036.6 Ų36.60%019%0.191CC..Hα-helixtrans-57.1-51173-46.60000112.4W220 F226 N363 F364 C368 W369 Y370 E419 P421W220-T366 HydrophobicContact CH2-CG2 3.93Å; W220-T366 HydrophobicContact CZ3-CG2 4.36Å; F226-T366 HydrophobicContact CB-CG2 4.24Å; F226-T366 HydrophobicContact CD1-CG2 4.33Å; F226-T366 HydrophobicContact CD2-CG2 3.57Å; F226-T366 HydrophobicContact CE2-CG2 3.97Å; F226-T366 HydrophobicContact CG-CG2 3.78Å; F226-T366 HydrophobicContact CZ-CG2 4.5Å; N363-T366 WeakPolarHBondContact O-CB 3.44Å; N363-T366 PolarHBondContact O-N 3.01Å; F364-T366 VanDerWaalsContact C-N 3.35Å; T366-C368 VanDerWaalsContact C-N 3.33Å; T366-C368 PolarHBondContact O-N 3.06Å; T366-W369 PolarHBondContact O-N 3.02Å; T366-Y370 HydrophobicContact CG2-CE2 3.94Å; T366-Y370 WeakPolarHBondContact O-CD2 3.35Å; T366-Y370 PolarHBondContact O-N 2.87Å; T366-E419 VanDerWaalsContact CA-O 3.27Å; T366-E419 WeakPolarHBondContact CA-O 3.18Å; T366-E419 WeakPolarHBondContact CB-O 3.27Å; T366-E419 PolarHBondContact N-OE2 3.47Å; T366-E419 PolarHBondContact OG1-O 3.21Å; T366-P421 HydrophobicContact CG2-CG 3.84Å
367I98.1Very high93.8Very high0 Ų037.5 Ų37.50%019%0.187CC..Hα-helixtrans-66.4-36.1174.8-173.655.2000111.6W215 L219 W220 L335 F361 N363 F364 W369 Y370 V371W215-I367 HydrophobicContact CB-CD1 3.96Å; W215-I367 HydrophobicContact CB-CG1 3.71Å; W215-I367 HydrophobicContact CE3-CG1 4.08Å; W215-I367 HydrophobicContact CE3-CG2 4.36Å; L219-I367 HydrophobicContact CB-CD1 4.28Å; W220-I367 HydrophobicContact CE3-CB 4.13Å; W220-I367 HydrophobicContact CE3-CD1 4.09Å; W220-I367 HydrophobicContact CE3-CG1 4.49Å; W220-I367 HydrophobicContact CZ3-CB 3.96Å; L335-I367 HydrophobicContact CD1-CG2 3.93Å; F361-I367 HydrophobicContact CE1-CG2 3.98Å; N363-I367 PolarHBondContact O-N 3.17Å; F364-I367 VanDerWaalsContact O-CG2 3.26Å; F364-I367 WeakPolarHBondContact O-CG2 3.38Å; I367-W369 VanDerWaalsContact C-N 3.3Å; I367-W369 PolarHBondContact O-N 2.81Å; I367-Y370 PolarHBondContact O-N 3.4Å; I367-V371 HydrophobicContact CD1-CG2 4.21Å; I367-V371 HydrophobicContact CG1-CG2 4.18Å; I367-V371 WeakPolarHBondContact O-CB 3.18Å; I367-V371 WeakPolarHBondContact O-CG2 3.5Å; I367-V371 PolarHBondContact O-N 3.3Å
368C98.5Very high94.9Very high0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-56.5-42.3172.5-780000112F364 E365 T366 V371 G372 L400 F404 W407F364-C368 WeakPolarHBondContact O-CB 3.49Å; F364-C368 PolarHBondContact O-N 2.83Å; F364-C368 VanDerWaalsContact O-N 3.08Å; F364-C368 PolarHBondContact O-SG 2.96Å; E365-C368 CarbonylContact O-C 3.59Å; E365-C368 WeakPolarHBondContact O-CA 3.47Å; E365-C368 VanDerWaalsContact O-CB 3.29Å; E365-C368 WeakPolarHBondContact O-CB 3.39Å; E365-C368 PolarHBondContact O-N 3.28Å; T366-C368 VanDerWaalsContact C-N 3.33Å; T366-C368 PolarHBondContact O-N 3.06Å; C368-V371 PolarHBondContact O-N 3Å; C368-G372 PolarHBondContact O-N 3.4Å; C368-L400 HydrophobicContact CB-CD1 3.83Å; C368-F404 HydrophobicContact CB-CE1 4.32Å; C368-F404 VanDerWaalsContact O-CZ 3.26Å; C368-F404 WeakPolarHBondContact O-CZ 3.37Å; C368-W407 HydrophobicContact CB-CH2 3.95Å; C368-W407 HydrophobicContact CB-CZ3 4.01Å
369W98.3Very high96.1Very high1 Ų127.8 Ų27.80%0.00414%0.136CC..Hα-helixtrans-62.7-44.4176.7-75.3115.9000113E365 T366 I367 G372 K373 F404 W407 T408 I420 P421 V424 T426 L429 I430E365-W369 PolarHBondContact O-N 2.96Å; T366-W369 PolarHBondContact O-N 3.02Å; I367-W369 VanDerWaalsContact C-N 3.3Å; I367-W369 PolarHBondContact O-N 2.81Å; W369-G372 PolarHBondContact O-N 2.83Å; W369-K373 PolarHBondContact O-N 2.93Å; W369-K373 VanDerWaalsContact O-N 3.12Å; W369-F404 AromaticContact CD2-CD1 3.83Å; W369-F404 HydrophobicContact CD2-CD1 3.83Å; W369-F404 AromaticContact CD2-CE1 3.64Å; W369-F404 HydrophobicContact CD2-CE1 3.64Å; W369-F404 HydrophobicContact CD2-CZ 4.29Å; W369-F404 AromaticContact CE2-CD1 3.96Å; W369-F404 AromaticContact CE3-CD1 3.55Å; W369-F404 HydrophobicContact CE3-CD1 3.55Å; W369-F404 HydrophobicContact CE3-CD2 4.2Å; W369-F404 AromaticContact CE3-CE1 3.44Å; W369-F404 HydrophobicContact CE3-CE1 3.44Å; W369-F404 VanDerWaalsContact CE3-CE1 3.44Å; W369-F404 HydrophobicContact CE3-CE2 4.11Å; W369-F404 AromaticContact CE3-CG 3.94Å; W369-F404 HydrophobicContact CE3-CG 3.94Å; W369-F404 AromaticContact CE3-CZ 3.73Å; W369-F404 HydrophobicContact CE3-CZ 3.73Å; W369-F404 HydrophobicContact CG-CE1 4.15Å; W369-F404 HydrophobicContact CH2-CB 3.62Å; W369-F404 AromaticContact CH2-CD1 3.64Å; W369-F404 HydrophobicContact CH2-CD1 3.64Å; W369-F404 HydrophobicContact CH2-CD2 4.47Å; W369-F404 HydrophobicContact CH2-CE1 4.39Å; W369-F404 AromaticContact CH2-CG 3.69Å; W369-F404 HydrophobicContact CH2-CG 3.69Å; W369-F404 HydrophobicContact CZ2-CB 4.41Å; W369-F404 AromaticContact CZ2-CD1 3.89Å; W369-F404 HydrophobicContact CZ2-CD1 3.89Å; W369-F404 HydrophobicContact CZ2-CG 4.38Å; W369-F404 HydrophobicContact CZ3-CB 3.8Å; W369-F404 AromaticContact CZ3-CD1 3.46Å; W369-F404 HydrophobicContact CZ3-CD1 3.46Å; W369-F404 VanDerWaalsContact CZ3-CD1 3.46Å; W369-F404 AromaticContact CZ3-CD2 3.8Å; W369-F404 HydrophobicContact CZ3-CD2 3.8Å; W369-F404 AromaticContact CZ3-CE1 3.86Å; W369-F404 HydrophobicContact CZ3-CE1 3.86Å; W369-F404 HydrophobicContact CZ3-CE2 4.17Å; W369-F404 AromaticContact CZ3-CG 3.42Å; W369-F404 HydrophobicContact CZ3-CG 3.42Å; W369-F404 VanDerWaalsContact CZ3-CG 3.42Å; W369-F404 HydrophobicContact CZ3-CZ 4.18Å; W369-W407 HydrophobicContact CZ2-CE3 4.3Å; W369-T408 HydrophobicContact CH2-CG2 3.69Å; W369-T408 HydrophobicContact CZ2-CG2 3.85Å; W369-I420 HydrophobicContact CZ2-CG1 4.33Å; W369-P421 HydrophobicContact CB-CG 3.94Å; W369-V424 HydrophobicContact CB-CG1 4.38Å; W369-V424 HydrophobicContact CB-CG2 4.41Å; W369-V424 HydrophobicContact CD2-CG1 4.37Å; W369-V424 HydrophobicContact CE3-CG1 3.82Å; W369-T426 HydrophobicContact CE3-CG2 4.19Å; W369-T426 HydrophobicContact CH2-CG2 3.55Å; W369-T426 HydrophobicContact CZ2-CG2 3.9Å; W369-T426 HydrophobicContact CZ3-CG2 3.71Å; W369-L429 HydrophobicContact CE3-CD2 3.95Å; W369-L429 HydrophobicContact CZ3-CD2 4.27Å; W369-I430 HydrophobicContact CH2-CD1 4.33Å
370Y98.1Very high96.9Very high20 Ų2025.8 Ų25.88%0.07813%0.125CC..Hα-helixtrans-63.1-41.9174.3-66.5-54.2000112P221 T366 I367 G372 K373 H374 P421P221-Y370 HydrophobicContact CG-CD1 4.13Å; P221-Y370 HydrophobicContact CG-CE1 3.61Å; P221-Y370 HydrophobicContact CG-CE2 4.15Å; T366-Y370 HydrophobicContact CG2-CE2 3.94Å; T366-Y370 WeakPolarHBondContact O-CD2 3.35Å; T366-Y370 PolarHBondContact O-N 2.87Å; I367-Y370 PolarHBondContact O-N 3.4Å; Y370-G372 VanDerWaalsContact C-N 3.35Å; Y370-G372 PolarHBondContact O-N 3.19Å; Y370-K373 WeakPolarHBondContact O-CB 3.22Å; Y370-K373 PolarHBondContact O-N 2.88Å; Y370-H374 PolarHBondContact O-N 3.38Å; Y370-P421 HydrophobicContact CD1-CG 4.28Å; Y370-P421 HydrophobicContact CD2-CG 4.39Å; Y370-P421 HydrophobicContact CE1-CB 3.71Å; Y370-P421 HydrophobicContact CE1-CG 3.85Å; Y370-P421 HydrophobicContact CE2-CB 4.43Å; Y370-P421 HydrophobicContact CE2-CG 3.98Å
371V98.3Very high97.3Very high0 Ų025.2 Ų25.20%013%0.13CC..Hα-helixtrans-61.3-42174.8171.40000111.5W215 L219 I367 C368 K373 H374 I375 L400W215-V371 HydrophobicContact CB-CG2 3.94Å; W215-V371 HydrophobicContact CD2-CB 4.39Å; W215-V371 HydrophobicContact CD2-CG1 4.31Å; W215-V371 HydrophobicContact CD2-CG2 3.32Å; W215-V371 HydrophobicContact CE3-CG2 3.63Å; W215-V371 HydrophobicContact CG-CG2 3.49Å; W215-V371 VanDerWaalsContact CG-CG2 3.49Å; W215-V371 HydrophobicContact CH2-CG1 4.34Å; W215-V371 HydrophobicContact CZ2-CG1 3.8Å; W215-V371 HydrophobicContact CZ2-CG2 4.29Å; W215-V371 HydrophobicContact CZ3-CG2 4.25Å; L219-V371 HydrophobicContact CD1-CB 4.41Å; L219-V371 HydrophobicContact CD1-CG2 3.66Å; I367-V371 HydrophobicContact CD1-CG2 4.21Å; I367-V371 HydrophobicContact CG1-CG2 4.18Å; I367-V371 WeakPolarHBondContact O-CB 3.18Å; I367-V371 WeakPolarHBondContact O-CG2 3.5Å; I367-V371 PolarHBondContact O-N 3.3Å; C368-V371 PolarHBondContact O-N 3Å; V371-K373 PolarHBondContact O-N 3.43Å; V371-H374 PolarHBondContact O-N 3.06Å; V371-I375 HydrophobicContact CG1-CD1 3.67Å; V371-I375 HydrophobicContact CG1-CG1 4.25Å; V371-I375 WeakPolarHBondContact O-CB 3.48Å; V371-I375 VanDerWaalsContact O-CG1 3.32Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 3.01Å; V371-L400 HydrophobicContact CB-CD2 4.43Å; V371-L400 HydrophobicContact CG1-CD2 3.94Å
372G98Very high97.3Very high0 Ų027.1 Ų27.10%014%0.14CC..Hα-helixtrans-62.3-41.5177.200000113.2C368 W369 Y370 L376C368-G372 PolarHBondContact O-N 3.4Å; W369-G372 PolarHBondContact O-N 2.83Å; Y370-G372 VanDerWaalsContact C-N 3.35Å; Y370-G372 PolarHBondContact O-N 3.19Å; G372-L376 PolarHBondContact O-N 3.29Å; G372-L376 VanDerWaalsContact O-N 3.12Å
373K97.4Very high97.2Very high85 Ų8528.6 Ų28.637%0.3714%0.139SC..Hα-helixtrans-60.1-48.7172.9-178.2-177.6177.8-1770110.6W369 Y370 V371 L376 D377 T423 V424 L429W369-K373 PolarHBondContact O-N 2.93Å; W369-K373 VanDerWaalsContact O-N 3.12Å; Y370-K373 WeakPolarHBondContact O-CB 3.22Å; Y370-K373 PolarHBondContact O-N 2.88Å; V371-K373 PolarHBondContact O-N 3.43Å; K373-L376 WeakPolarHBondContact O-CB 3.36Å; K373-L376 PolarHBondContact O-N 2.84Å; K373-D377 PolarHBondContact O-N 2.84Å; K373-T423 PolarHBondContact NZ-OG1 2.84Å; K373-V424 HydrophobicContact CD-CG2 4.33Å; K373-L429 HydrophobicContact CB-CD2 4.47Å
374H97.6Very high97.2Very high81 Ų8132.5 Ų32.538%0.37516%0.155SC..Hα-helixtrans-63.4-43.2178.3-178.2-133.5000113.5L219 Y370 V371 L376 D377 I378L219-H374 HydrophobicContact CD1-CB 4.37Å; L219-H374 HydrophobicContact CD2-CB 3.92Å; L219-H374 VanDerWaalsContact CD2-CG 3.49Å; L219-H374 WeakPolarHBondContact CD2-ND1 3.46Å; Y370-H374 PolarHBondContact O-N 3.38Å; V371-H374 PolarHBondContact O-N 3.06Å; H374-L376 VanDerWaalsContact C-N 3.31Å; H374-L376 PolarHBondContact O-N 3.06Å; H374-D377 PolarHBondContact O-N 3.13Å; H374-D377 VanDerWaalsContact O-N 3.16Å; H374-I378 VanDerWaalsContact CE1-CD1 3.44Å; H374-I378 WeakPolarHBondContact CE1-CD1 3.46Å; H374-I378 WeakPolarHBondContact O-CG1 3.26Å; H374-I378 PolarHBondContact O-N 2.85Å
375I97.8Very high97.1Very high0 Ų038.1 Ų38.10%019%0.185CC..Hα-helixtrans-63-37177.3-70.3173.7000111.6I340 V371 D377 I378 F379 L393 L400 L433I340-I375 HydrophobicContact CD1-CD1 3.58Å; V371-I375 HydrophobicContact CG1-CD1 3.67Å; V371-I375 HydrophobicContact CG1-CG1 4.25Å; V371-I375 WeakPolarHBondContact O-CB 3.48Å; V371-I375 VanDerWaalsContact O-CG1 3.32Å; V371-I375 WeakPolarHBondContact O-CG1 3.42Å; V371-I375 PolarHBondContact O-N 3.01Å; I375-D377 VanDerWaalsContact C-N 3.34Å; I375-D377 PolarHBondContact O-N 3.31Å; I375-I378 PolarHBondContact O-N 3.08Å; I375-F379 HydrophobicContact CG2-CD1 4.44Å; I375-F379 HydrophobicContact CG2-CD2 4.07Å; I375-F379 HydrophobicContact CG2-CE1 4Å; I375-F379 HydrophobicContact CG2-CE2 3.58Å; I375-F379 HydrophobicContact CG2-CG 4.48Å; I375-F379 HydrophobicContact CG2-CZ 3.55Å; I375-F379 VanDerWaalsContact O-CG 3.32Å; I375-F379 WeakPolarHBondContact O-CG 3.45Å; I375-F379 PolarHBondContact O-N 2.87Å; I375-L393 HydrophobicContact CD1-CD1 4.21Å; I375-L393 HydrophobicContact CG1-CD1 4.22Å; I375-L400 HydrophobicContact CD1-CD2 4.24Å; I375-L433 HydrophobicContact CG2-CD1 4.04Å
376L97.6Very high96.8Very high9 Ų948.7 Ų48.75%0.04723%0.225CC..Hα-helixtrans-60-44.4173.717158.5000111.5G372 K373 H374 F379 R380 L429 D432 L433 E436G372-L376 PolarHBondContact O-N 3.29Å; G372-L376 VanDerWaalsContact O-N 3.12Å; K373-L376 WeakPolarHBondContact O-CB 3.36Å; K373-L376 PolarHBondContact O-N 2.84Å; H374-L376 VanDerWaalsContact C-N 3.31Å; H374-L376 PolarHBondContact O-N 3.06Å; L376-F379 PolarHBondContact O-N 3.42Å; L376-R380 HydrophobicContact CD1-CG 4.41Å; L376-R380 WeakPolarHBondContact O-CG 3.26Å; L376-R380 PolarHBondContact O-N 3.15Å; L376-L429 HydrophobicContact CB-CD1 4.07Å; L376-L429 HydrophobicContact CD2-CD1 3.68Å; L376-D432 HydrophobicContact CD1-CB 3.94Å; L376-D432 HydrophobicContact CD2-CB 3.79Å; L376-L433 HydrophobicContact CB-CD1 4.41Å; L376-E436 HydrophobicContact CD1-CG 3.62Å
377D97.1Very high96.6Very high77 Ų7757.2 Ų57.241%0.41226%0.257SS..Hα-helixtrans-76.5-31.1-178.2-65.2-32.2000112.4K373 H374 I375 R380 G381K373-D377 PolarHBondContact O-N 2.84Å; H374-D377 PolarHBondContact O-N 3.13Å; H374-D377 VanDerWaalsContact O-N 3.16Å; I375-D377 VanDerWaalsContact C-N 3.34Å; I375-D377 PolarHBondContact O-N 3.31Å; D377-R380 PolarHBondContact O-N 2.92Å; D377-R380 IonicContact OD1-CZ 3.95Å; D377-R380 IonicContact OD1-NH1 3.82Å; D377-R380 PolarHBondContact OD1-NH1 2.9Å; D377-G381 PolarHBondContact O-N 3.46Å
378I96.7Very high96.1Very high49 Ų4961.7 Ų61.725%0.25128%0.278SS..Hα-helixtrans-57.7-50.1165-70.7164.3000110.9H374 I375 R380 G381 L382 L393H374-I378 VanDerWaalsContact CE1-CD1 3.44Å; H374-I378 WeakPolarHBondContact CE1-CD1 3.46Å; H374-I378 WeakPolarHBondContact O-CG1 3.26Å; H374-I378 PolarHBondContact O-N 2.85Å; I375-I378 PolarHBondContact O-N 3.08Å; I378-R380 VanDerWaalsContact C-N 3.31Å; I378-R380 PolarHBondContact O-N 3.45Å; I378-G381 PolarHBondContact O-N 3.11Å; I378-L382 HydrophobicContact CG2-CD1 3.64Å; I378-L382 HydrophobicContact CG2-CG 4.18Å; I378-L382 WeakPolarHBondContact O-CB 3.21Å; I378-L382 WeakPolarHBondContact O-CG 3.46Å; I378-L382 PolarHBondContact O-N 3.34Å; I378-L393 HydrophobicContact CG2-CD2 3.94Å
379F96.8Very high95.9Very high2 Ų262 Ų621%0.00928%0.28CS..Hα-helixtrans-62.2-38.4-179.4-70.3-15.6000112.2I375 L376 R383 P389 L393 L433 E436 I437I375-F379 HydrophobicContact CG2-CD1 4.44Å; I375-F379 HydrophobicContact CG2-CD2 4.07Å; I375-F379 HydrophobicContact CG2-CE1 4Å; I375-F379 HydrophobicContact CG2-CE2 3.58Å; I375-F379 HydrophobicContact CG2-CG 4.48Å; I375-F379 HydrophobicContact CG2-CZ 3.55Å; I375-F379 VanDerWaalsContact O-CG 3.32Å; I375-F379 WeakPolarHBondContact O-CG 3.45Å; I375-F379 PolarHBondContact O-N 2.87Å; L376-F379 PolarHBondContact O-N 3.42Å; F379-R383 VanDerWaalsContact O-CB 3.22Å; F379-R383 WeakPolarHBondContact O-CB 3.32Å; F379-R383 PolarHBondContact O-N 2.78Å; F379-R383 VanDerWaalsContact O-N 3.08Å; F379-P389 HydrophobicContact CD1-CB 3.77Å; F379-P389 HydrophobicContact CD1-CG 3.75Å; F379-P389 HydrophobicContact CE1-CB 3.61Å; F379-P389 HydrophobicContact CE1-CG 3.72Å; F379-L393 HydrophobicContact CE1-CB 4.49Å; F379-L393 HydrophobicContact CE1-CD2 3.89Å; F379-L393 HydrophobicContact CE1-CG 3.88Å; F379-L393 HydrophobicContact CZ-CG 4.36Å; F379-L433 HydrophobicContact CD2-CD1 3.92Å; F379-L433 HydrophobicContact CE2-CD1 3.8Å; F379-E436 HydrophobicContact CB-CB 3.91Å; F379-E436 HydrophobicContact CB-CG 4.27Å; F379-E436 HydrophobicContact CD2-CB 3.94Å; F379-E436 HydrophobicContact CG-CB 4.4Å; F379-I437 HydrophobicContact CD2-CG1 4.4Å; F379-I437 HydrophobicContact CE2-CD1 4.49Å; F379-I437 HydrophobicContact CE2-CG1 3.72Å
380R96.7Very high95.6Very high66 Ų6663.8 Ų63.825%0.24930%0.295CS..Hα-helixtrans-63.3-54.7173.9-73.6167.3168.7167.9-5111.8L376 D377 I378 L382 R383 E384 D432 E436L376-R380 HydrophobicContact CD1-CG 4.41Å; L376-R380 WeakPolarHBondContact O-CG 3.26Å; L376-R380 PolarHBondContact O-N 3.15Å; D377-R380 PolarHBondContact O-N 2.92Å; D377-R380 IonicContact OD1-CZ 3.95Å; D377-R380 IonicContact OD1-NH1 3.82Å; D377-R380 PolarHBondContact OD1-NH1 2.9Å; I378-R380 VanDerWaalsContact C-N 3.31Å; I378-R380 PolarHBondContact O-N 3.45Å; R380-L382 PolarHBondContact O-N 3.14Å; R380-R383 PolarHBondContact O-N 2.87Å; R380-E384 WeakPolarHBondContact O-CB 3.39Å; R380-E384 WeakPolarHBondContact O-CG 3.49Å; R380-E384 PolarHBondContact O-N 2.96Å; R380-D432 IonicContact NH2-OD2 2.66Å; R380-D432 PolarHBondContact NH2-OD2 2.86Å; R380-E436 HydrophobicContact CG-CG 4.39Å
381G96.9Very high95.3Very high27 Ų2766 Ų6628%0.27831%0.314SS..Hα-helixtrans-60.4-41.1-178.800000112.9D377 I378 N385D377-G381 PolarHBondContact O-N 3.46Å; I378-G381 PolarHBondContact O-N 3.11Å; G381-N385 WeakPolarHBondContact O-CB 3.35Å; G381-N385 PolarHBondContact O-N 2.87Å; G381-N385 PolarHBondContact O-ND2 2.94Å
382L95.2Very high95.1Very high46 Ų4668.3 Ų68.324%0.24132%0.323CS..Hα-helixtrans-64.3-46.5174.5-72.2174.6000111.8I378 R380 E384 N385 R386 R387 P389I378-L382 HydrophobicContact CG2-CD1 3.64Å; I378-L382 HydrophobicContact CG2-CG 4.18Å; I378-L382 WeakPolarHBondContact O-CB 3.21Å; I378-L382 WeakPolarHBondContact O-CG 3.46Å; I378-L382 PolarHBondContact O-N 3.34Å; R380-L382 PolarHBondContact O-N 3.14Å; L382-E384 PolarHBondContact O-N 3.01Å; L382-N385 CarbonylContact O-C 3.57Å; L382-N385 PolarHBondContact O-N 2.99Å; L382-R386 PolarHBondContact O-N 2.84Å; L382-R387 CarbonylContact C-O 3.52Å; L382-R387 HydrophobicContact CB-CB 4.38Å; L382-R387 HydrophobicContact CD2-CB 3.94Å; L382-R387 PolarHBondContact O-N 2.85Å; L382-P389 HydrophobicContact CD1-CB 3.84Å
383R93.6Very high95Very high89 Ų8969 Ų6934%0.33633%0.326SS..Hα-helixtrans-62.6-41.1178.6179.6-165.964.7-170-9.7112.2F379 R380 R386 E436F379-R383 VanDerWaalsContact O-CB 3.22Å; F379-R383 WeakPolarHBondContact O-CB 3.32Å; F379-R383 PolarHBondContact O-N 2.78Å; F379-R383 VanDerWaalsContact O-N 3.08Å; R380-R383 PolarHBondContact O-N 2.87Å; R383-R386 WeakPolarHBondContact O-CA 3.49Å; R383-R386 PolarHBondContact O-N 2.93Å; R383-E436 IonicContact CZ-OE1 2.78Å; R383-E436 IonicContact CZ-OE2 3.21Å; R383-E436 VanDerWaalsContact CZ-OE2 3.24Å; R383-E436 IonicContact NE-OE2 2.95Å; R383-E436 IonicContact NH1-OE1 3.9Å; R383-E436 PolarHBondContact NH1-OE1 2.63Å; R383-E436 IonicContact NH1-OE2 2.85Å; R383-E436 PolarHBondContact NH1-OE2 3.41Å; R383-E436 IonicContact NH2-OE1 3.57Å; R383-E436 PolarHBondContact NH2-OE1 3.16Å; R383-E436 IonicContact NH2-OE2 2.95Å
384E95.1Very high94.9Very high129 Ų12965.3 Ų65.360%0.60331%0.311SS*.Hα-helixtrans-66-40.3177.7-76.4158-14600111.2R380 L382 R386R380-E384 WeakPolarHBondContact O-CB 3.39Å; R380-E384 WeakPolarHBondContact O-CG 3.49Å; R380-E384 PolarHBondContact O-N 2.96Å; L382-E384 PolarHBondContact O-N 3.01Å; E384-R386 PolarHBondContact O-N 2.83Å
385N95.3Very high94.8Very high119 Ų11966.7 Ų66.764%0.63632%0.317SS*.THydrogen-bonded Turntrans-75.89.1168.7-69.2-52.8000114.3G381 L382 R387G381-N385 WeakPolarHBondContact O-CB 3.35Å; G381-N385 PolarHBondContact O-N 2.87Å; G381-N385 PolarHBondContact O-ND2 2.94Å; L382-N385 CarbonylContact O-C 3.57Å; L382-N385 PolarHBondContact O-N 2.99Å; N385-R387 PolarHBondContact O-N 3.32Å; N385-R387 VanDerWaalsContact O-N 3.11Å
386R91.8Very high94.7Very high223 Ų22366.9 Ų66.984%0.84232%0.319SS*.THydrogen-bonded Turntrans57.118.8180-52.4-176.3-178.1-173.12115.7L382 R383 E384L382-R386 PolarHBondContact O-N 2.84Å; R383-R386 WeakPolarHBondContact O-CA 3.49Å; R383-R386 PolarHBondContact O-N 2.93Å; E384-R386 PolarHBondContact O-N 2.83Å
387R93.1Very high94.7Very high179 Ų17966.5 Ų66.568%0.67532%0.317SS*.  trans-87.9172.2170.7-60.9-174.5-176.1-169.21.3110L382 N385L382-R387 CarbonylContact C-O 3.52Å; L382-R387 HydrophobicContact CB-CB 4.38Å; L382-R387 HydrophobicContact CD2-CB 3.94Å; L382-R387 PolarHBondContact O-N 2.85Å; N385-R387 PolarHBondContact O-N 3.32Å; N385-R387 VanDerWaalsContact O-N 3.11Å
388H89.3Confident94.8Very high93 Ų9367.1 Ų67.143%0.43132%0.316SS..  trans-125.5141.7174.6-55.9-27.9000108.8I443H388-I443 WeakPolarHBondContact NE2-CG2 3.46Å
389P93.4Very high94.8Very high7 Ų765.5 Ų65.55%0.04531%0.31CS..  trans-66.7152.7175.729.3-36.1000111.5F379 L382 L393 V394 V440F379-P389 HydrophobicContact CD1-CB 3.77Å; F379-P389 HydrophobicContact CD1-CG 3.75Å; F379-P389 HydrophobicContact CE1-CB 3.61Å; F379-P389 HydrophobicContact CE1-CG 3.72Å; L382-P389 HydrophobicContact CD1-CB 3.84Å; P389-L393 HydrophobicContact CB-CD2 4.24Å; P389-V394 HydrophobicContact CB-CG2 4.25Å; P389-V394 HydrophobicContact CG-CG2 3.65Å; P389-V440 HydrophobicContact CG-CG1 3.84Å; P389-V440 HydrophobicContact CG-CG2 4.03Å
390A92.2Very high94.9Very high38 Ų3865.4 Ų65.431%0.31431%0.31SS..  trans-59.6149.6172.600000111.6Y392 L393 V394A390-Y392 VanDerWaalsContact C-N 3.33Å; A390-Y392 HydrophobicContact CB-CD1 3.67Å; A390-Y392 HydrophobicContact CB-CE1 3.3Å; A390-Y392 PolarHBondContact O-N 2.94Å; A390-L393 PolarHBondContact O-N 3.02Å; A390-L393 VanDerWaalsContact O-N 3.11Å; A390-V394 PolarHBondContact O-N 3.45Å
391S92.9Very high95Very high68 Ų6862.3 Ų62.348%0.47630%0.298SS..Hα-helixtrans-61.1-39.6-171.7-164.90000112.9L393 V394 H395S391-L393 VanDerWaalsContact C-N 3.27Å; S391-L393 PolarHBondContact O-N 2.88Å; S391-V394 PolarHBondContact O-N 3.31Å; S391-H395 PolarHBondContact O-N 3.14Å; S391-H395 VanDerWaalsContact O-N 3.16Å; S391-H395 PolarHBondContact O-ND1 3.49Å; S391-H395 PolarHBondContact OG-CE1 3.21Å
392Y93.8Very high95Very high48 Ų4865.9 Ų65.919%0.18831%0.31CS..Hα-helixtrans-58.8-39.4177.973.7-97.6000111.5E117 S337 L338 A390 V394 H395 G396E117-Y392 HydrophobicContact CB-CE1 4.24Å; E117-Y392 HydrophobicContact CG-CE1 3.79Å; E117-Y392 WeakPolarHBondContact OE1-CE1 3.28Å; E117-Y392 PolarHBondContact OE1-OH 3.12Å; S337-Y392 WeakPolarHBondContact O-CD2 3.46Å; L338-Y392 HydrophobicContact CD2-CD2 4.21Å; L338-Y392 HydrophobicContact CD2-CE1 4.24Å; L338-Y392 HydrophobicContact CD2-CE2 3.81Å; A390-Y392 VanDerWaalsContact C-N 3.33Å; A390-Y392 HydrophobicContact CB-CD1 3.67Å; A390-Y392 HydrophobicContact CB-CE1 3.3Å; A390-Y392 PolarHBondContact O-N 2.94Å; Y392-V394 PolarHBondContact O-N 2.84Å; Y392-H395 PolarHBondContact O-N 3.16Å; Y392-G396 PolarHBondContact O-N 3.29Å
393L95Very high95.2Very high13 Ų1364.2 Ų64.27%0.06830%0.303CS..Hα-helixtrans-70-33.2-177.6-166.666.6000111.8I375 I378 F379 P389 A390 S391 G397I375-L393 HydrophobicContact CD1-CD1 4.21Å; I375-L393 HydrophobicContact CG1-CD1 4.22Å; I378-L393 HydrophobicContact CG2-CD2 3.94Å; F379-L393 HydrophobicContact CE1-CB 4.49Å; F379-L393 HydrophobicContact CE1-CD2 3.89Å; F379-L393 HydrophobicContact CE1-CG 3.88Å; F379-L393 HydrophobicContact CZ-CG 4.36Å; P389-L393 HydrophobicContact CB-CD2 4.24Å; A390-L393 PolarHBondContact O-N 3.02Å; A390-L393 VanDerWaalsContact O-N 3.11Å; S391-L393 VanDerWaalsContact C-N 3.27Å; S391-L393 PolarHBondContact O-N 2.88Å; L393-G397 PolarHBondContact O-N 3.03Å
394V95.8Very high95.4Very high9 Ų960 Ų606%0.05529%0.287CS..Hα-helixtrans-67.4-43173.2-175.50000111.1P389 A390 S391 Y392 K398 I437 V440 F444P389-V394 HydrophobicContact CB-CG2 4.25Å; P389-V394 HydrophobicContact CG-CG2 3.65Å; A390-V394 PolarHBondContact O-N 3.45Å; S391-V394 PolarHBondContact O-N 3.31Å; Y392-V394 PolarHBondContact O-N 2.84Å; V394-K398 WeakPolarHBondContact O-CB 3.41Å; V394-K398 PolarHBondContact O-N 3Å; V394-I437 HydrophobicContact CG1-CG2 4.42Å; V394-V440 HydrophobicContact CG1-CG1 4.28Å; V394-V440 HydrophobicContact CG2-CG1 3.63Å; V394-F444 HydrophobicContact CG2-CE2 4.31Å
395H95.3Very high95.5Very high110 Ų11059 Ų5951%0.50928%0.278SS..Hα-helixtrans-65.5-46.4175.8-69.985.9000111.2S391 Y392 K398 A399S391-H395 PolarHBondContact O-N 3.14Å; S391-H395 VanDerWaalsContact O-N 3.16Å; S391-H395 PolarHBondContact O-ND1 3.49Å; S391-H395 PolarHBondContact OG-CE1 3.21Å; Y392-H395 PolarHBondContact O-N 3.16Å; H395-K398 WeakPolarHBondContact O-CB 3.45Å; H395-K398 PolarHBondContact O-N 3.28Å; H395-A399 PolarHBondContact O-N 3.13Å
396G96.2Very high95.6Very high4 Ų454.6 Ų54.64%0.04126%0.258CS..Hα-helixtrans-62.3-49.217800000113.3Y392 K398 A399 L400Y392-G396 PolarHBondContact O-N 3.29Å; G396-K398 PolarHBondContact O-N 3.37Å; G396-A399 PolarHBondContact O-N 2.87Å; G396-L400 WeakPolarHBondContact O-CB 3.26Å; G396-L400 PolarHBondContact O-N 3.41Å
397G97.3Very high95.9Very high0 Ų044.1 Ų44.10%022%0.218CC..Hα-helixtrans-61.9-27.317500000113.3L393 N401 I437L393-G397 PolarHBondContact O-N 3.03Å; G397-N401 WeakPolarHBondContact O-CB 3.33Å; G397-N401 PolarHBondContact O-N 2.76Å; G397-N401 VanDerWaalsContact O-N 3.07Å; G397-I437 WeakPolarHBondContact O-CD1 3.42Å
398K97.9Very high96.1Very high90 Ų9037.5 Ų37.539%0.39120%0.198SC..Hα-helixtrans-75.7-40.6173.8-176.1175.8179.1175.80112.6V394 H395 G396 L402 I437 E441V394-K398 WeakPolarHBondContact O-CB 3.41Å; V394-K398 PolarHBondContact O-N 3Å; H395-K398 WeakPolarHBondContact O-CB 3.45Å; H395-K398 PolarHBondContact O-N 3.28Å; G396-K398 PolarHBondContact O-N 3.37Å; K398-L402 WeakPolarHBondContact O-CG 3.15Å; K398-L402 PolarHBondContact O-N 2.68Å; K398-L402 VanDerWaalsContact O-N 3.16Å; K398-I437 HydrophobicContact CB-CD1 4.23Å; K398-I437 HydrophobicContact CB-CG2 4.32Å; K398-I437 HydrophobicContact CD-CG2 4.41Å; K398-I437 HydrophobicContact CG-CG2 4.47Å; K398-E441 IonicContact NZ-OE1 2.81Å; K398-E441 PolarHBondContact NZ-OE1 2.66Å
399A98.1Very high96.5Very high15 Ų1539.5 Ų39.512%0.12420%0.202CC..Hα-helixtrans-62.7-47.4172.100000111.2E341 L344 H395 G396 N401 L402 A403E341-A399 HydrophobicContact CB-CB 3.96Å; E341-A399 HydrophobicContact CG-CB 4.09Å; L344-A399 HydrophobicContact CD1-CB 4Å; H395-A399 PolarHBondContact O-N 3.13Å; G396-A399 PolarHBondContact O-N 2.87Å; A399-N401 PolarHBondContact O-N 3.12Å; A399-L402 WeakPolarHBondContact O-CA 3.41Å; A399-L402 WeakPolarHBondContact O-CB 3.42Å; A399-L402 PolarHBondContact O-N 2.99Å; A399-A403 PolarHBondContact O-N 3.4Å
400L98.1Very high96.5Very high0 Ų048.7 Ų48.70%024%0.241CC..Hα-helixtrans-60.3-41.5177.7-169.361.8000112.7I340 L344 C368 V371 I375 G396 L402 A403 F404I340-L400 HydrophobicContact CG2-CB 4.22Å; I340-L400 HydrophobicContact CG2-CD1 4.48Å; L344-L400 HydrophobicContact CD1-CD1 4.46Å; C368-L400 HydrophobicContact CB-CD1 3.83Å; V371-L400 HydrophobicContact CB-CD2 4.43Å; V371-L400 HydrophobicContact CG1-CD2 3.94Å; I375-L400 HydrophobicContact CD1-CD2 4.24Å; G396-L400 WeakPolarHBondContact O-CB 3.26Å; G396-L400 PolarHBondContact O-N 3.41Å; L400-L402 PolarHBondContact O-N 2.6Å; L400-A403 PolarHBondContact O-N 2.94Å; L400-F404 HydrophobicContact CD1-CD1 4.49Å; L400-F404 HydrophobicContact CD1-CE1 3.84Å; L400-F404 HydrophobicContact CD1-CZ 3.89Å; L400-F404 HydrophobicContact CD2-CE2 4.25Å; L400-F404 HydrophobicContact CD2-CZ 3.91Å; L400-F404 HydrophobicContact CG-CD2 4.47Å; L400-F404 HydrophobicContact CG-CE1 4Å; L400-F404 HydrophobicContact CG-CE2 3.83Å; L400-F404 HydrophobicContact CG-CZ 3.57Å; L400-F404 VanDerWaalsContact O-CG 3.28Å; L400-F404 WeakPolarHBondContact O-CG 3.44Å; L400-F404 PolarHBondContact O-N 2.83Å
401N98.3Very high96.7Very high1 Ų155.2 Ų55.21%0.00527%0.265CS..Hα-helixtrans-74-7.2174.2-167.5-1.5000113.8G397 A399 R405 I430 L433 A434 I437G397-N401 WeakPolarHBondContact O-CB 3.33Å; G397-N401 PolarHBondContact O-N 2.76Å; G397-N401 VanDerWaalsContact O-N 3.07Å; A399-N401 PolarHBondContact O-N 3.12Å; N401-R405 VanDerWaalsContact CG-NH2 3.27Å; N401-R405 PolarHBondContact ND2-NH2 3.04Å; N401-R405 WeakPolarHBondContact O-CD 3.16Å; N401-R405 VanDerWaalsContact O-CG 3.28Å; N401-R405 WeakPolarHBondContact O-CG 3.43Å; N401-R405 PolarHBondContact O-NE 2.93Å; N401-R405 PolarHBondContact OD1-NE 2.8Å; N401-R405 VanDerWaalsContact OD1-NE 3.11Å; N401-R405 PolarHBondContact OD1-NH2 2.82Å; N401-I430 PolarHBondContact ND2-O 3.18Å; N401-I430 PolarHBondContact OD1-O 3.5Å; N401-L433 HydrophobicContact CB-CD2 3.84Å; N401-L433 HydrophobicContact CB-CG 4.1Å; N401-A434 WeakPolarHBondContact ND2-CA 3.46Å; N401-A434 WeakPolarHBondContact ND2-CB 3.35Å; N401-A434 PolarHBondContact ND2-N 3.36Å; N401-I437 HydrophobicContact CB-CD1 4.27Å
402L98.3Very high96.7Very high102 Ų10252.5 Ų52.553%0.53425%0.247SC..Hα-helixtrans-88.4-42.7165.2-70.4167.6000110.2K398 A399 L400 R405 A406K398-L402 WeakPolarHBondContact O-CG 3.15Å; K398-L402 PolarHBondContact O-N 2.68Å; K398-L402 VanDerWaalsContact O-N 3.16Å; A399-L402 WeakPolarHBondContact O-CA 3.41Å; A399-L402 WeakPolarHBondContact O-CB 3.42Å; A399-L402 PolarHBondContact O-N 2.99Å; L400-L402 PolarHBondContact O-N 2.6Å; L402-R405 PolarHBondContact O-N 3.34Å; L402-A406 PolarHBondContact O-N 2.89Å
403A98.1Very high96.8Very high11 Ų1152.9 Ų52.99%0.09125%0.252CS..Hα-helixtrans-57.1-53.817400000112L344 A399 L400 R405 A406 W407L344-A403 HydrophobicContact CD1-CB 4.12Å; L344-A403 HydrophobicContact CD2-CB 3.91Å; A399-A403 PolarHBondContact O-N 3.4Å; L400-A403 PolarHBondContact O-N 2.94Å; A403-R405 PolarHBondContact O-N 2.95Å; A403-A406 WeakPolarHBondContact O-CA 3.34Å; A403-A406 VanDerWaalsContact O-CB 3.31Å; A403-A406 WeakPolarHBondContact O-CB 3.46Å; A403-A406 PolarHBondContact O-N 3.01Å; A403-W407 HydrophobicContact CB-CD2 4.38Å; A403-W407 HydrophobicContact CB-CH2 4.09Å; A403-W407 HydrophobicContact CB-CZ2 3.75Å; A403-W407 PolarHBondContact O-N 3.44Å
404F98.4Very high96.8Very high0 Ų056 Ų560%027%0.273CS..Hα-helixtrans-51.5-37.3174.9-66.2-24.3000113.8C368 W369 L400 W407 T408 L429 I430 L433C368-F404 HydrophobicContact CB-CE1 4.32Å; C368-F404 VanDerWaalsContact O-CZ 3.26Å; C368-F404 WeakPolarHBondContact O-CZ 3.37Å; W369-F404 AromaticContact CD2-CD1 3.83Å; W369-F404 HydrophobicContact CD2-CD1 3.83Å; W369-F404 AromaticContact CD2-CE1 3.64Å; W369-F404 HydrophobicContact CD2-CE1 3.64Å; W369-F404 HydrophobicContact CD2-CZ 4.29Å; W369-F404 AromaticContact CE2-CD1 3.96Å; W369-F404 AromaticContact CE3-CD1 3.55Å; W369-F404 HydrophobicContact CE3-CD1 3.55Å; W369-F404 HydrophobicContact CE3-CD2 4.2Å; W369-F404 AromaticContact CE3-CE1 3.44Å; W369-F404 HydrophobicContact CE3-CE1 3.44Å; W369-F404 VanDerWaalsContact CE3-CE1 3.44Å; W369-F404 HydrophobicContact CE3-CE2 4.11Å; W369-F404 AromaticContact CE3-CG 3.94Å; W369-F404 HydrophobicContact CE3-CG 3.94Å; W369-F404 AromaticContact CE3-CZ 3.73Å; W369-F404 HydrophobicContact CE3-CZ 3.73Å; W369-F404 HydrophobicContact CG-CE1 4.15Å; W369-F404 HydrophobicContact CH2-CB 3.62Å; W369-F404 AromaticContact CH2-CD1 3.64Å; W369-F404 HydrophobicContact CH2-CD1 3.64Å; W369-F404 HydrophobicContact CH2-CD2 4.47Å; W369-F404 HydrophobicContact CH2-CE1 4.39Å; W369-F404 AromaticContact CH2-CG 3.69Å; W369-F404 HydrophobicContact CH2-CG 3.69Å; W369-F404 HydrophobicContact CZ2-CB 4.41Å; W369-F404 AromaticContact CZ2-CD1 3.89Å; W369-F404 HydrophobicContact CZ2-CD1 3.89Å; W369-F404 HydrophobicContact CZ2-CG 4.38Å; W369-F404 HydrophobicContact CZ3-CB 3.8Å; W369-F404 AromaticContact CZ3-CD1 3.46Å; W369-F404 HydrophobicContact CZ3-CD1 3.46Å; W369-F404 VanDerWaalsContact CZ3-CD1 3.46Å; W369-F404 AromaticContact CZ3-CD2 3.8Å; W369-F404 HydrophobicContact CZ3-CD2 3.8Å; W369-F404 AromaticContact CZ3-CE1 3.86Å; W369-F404 HydrophobicContact CZ3-CE1 3.86Å; W369-F404 HydrophobicContact CZ3-CE2 4.17Å; W369-F404 AromaticContact CZ3-CG 3.42Å; W369-F404 HydrophobicContact CZ3-CG 3.42Å; W369-F404 VanDerWaalsContact CZ3-CG 3.42Å; W369-F404 HydrophobicContact CZ3-CZ 4.18Å; L400-F404 HydrophobicContact CD1-CD1 4.49Å; L400-F404 HydrophobicContact CD1-CE1 3.84Å; L400-F404 HydrophobicContact CD1-CZ 3.89Å; L400-F404 HydrophobicContact CD2-CE2 4.25Å; L400-F404 HydrophobicContact CD2-CZ 3.91Å; L400-F404 HydrophobicContact CG-CD2 4.47Å; L400-F404 HydrophobicContact CG-CE1 4Å; L400-F404 HydrophobicContact CG-CE2 3.83Å; L400-F404 HydrophobicContact CG-CZ 3.57Å; L400-F404 VanDerWaalsContact O-CG 3.28Å; L400-F404 WeakPolarHBondContact O-CG 3.44Å; L400-F404 PolarHBondContact O-N 2.83Å; F404-W407 AromaticContact CD1-CE3 3.91Å; F404-W407 HydrophobicContact CD1-CE3 3.91Å; F404-W407 AromaticContact CD1-CZ3 3.8Å; F404-W407 HydrophobicContact CD1-CZ3 3.8Å; F404-W407 HydrophobicContact CE1-CZ3 4.06Å; F404-T408 WeakPolarHBondContact O-CG2 3.45Å; F404-T408 PolarHBondContact O-N 3.31Å; F404-T408 PolarHBondContact O-OG1 2.71Å; F404-T408 VanDerWaalsContact O-OG1 3.09Å; F404-L429 HydrophobicContact CE2-CD2 4.11Å; F404-L429 HydrophobicContact CE2-CG 4.43Å; F404-I430 HydrophobicContact CB-CD1 3.96Å; F404-I430 HydrophobicContact CB-CG1 3.79Å; F404-I430 HydrophobicContact CD2-CG1 4.39Å; F404-L433 HydrophobicContact CE2-CD2 4.19Å
405R97.9Very high96.6Very high109 Ų10961.7 Ų61.741%0.41130%0.303SS..Hα-helixtrans-77.4-27.4177.3-68.3178.4-149.6169.811.4112.9N401 L402 A403 R409 I430N401-R405 VanDerWaalsContact CG-NH2 3.27Å; N401-R405 PolarHBondContact ND2-NH2 3.04Å; N401-R405 WeakPolarHBondContact O-CD 3.16Å; N401-R405 VanDerWaalsContact O-CG 3.28Å; N401-R405 WeakPolarHBondContact O-CG 3.43Å; N401-R405 PolarHBondContact O-NE 2.93Å; N401-R405 PolarHBondContact OD1-NE 2.8Å; N401-R405 VanDerWaalsContact OD1-NE 3.11Å; N401-R405 PolarHBondContact OD1-NH2 2.82Å; L402-R405 PolarHBondContact O-N 3.34Å; A403-R405 PolarHBondContact O-N 2.95Å; R405-R409 WeakPolarHBondContact O-CG 3.23Å; R405-I430 HydrophobicContact CG-CD1 4.36Å; R405-I430 HydrophobicContact CG-CG2 3.57Å
406A97.4Very high96.6Very high26 Ų2657.4 Ų57.422%0.21528%0.283CS..Hα-helixtrans-70.9-44.6175.300000110.1L402 A403 R409L402-A406 PolarHBondContact O-N 2.89Å; A403-A406 WeakPolarHBondContact O-CA 3.34Å; A403-A406 VanDerWaalsContact O-CB 3.31Å; A403-A406 WeakPolarHBondContact O-CB 3.46Å; A403-A406 PolarHBondContact O-N 3.01Å; A406-R409 PolarHBondContact O-NE 2.73Å; A406-R409 PolarHBondContact O-NH2 3.35Å; A406-R409 VanDerWaalsContact O-NH2 3.14Å
407W97.9Very high96.5Very high3 Ų362 Ų621%0.01130%0.304CS..Hα-helixtrans-67.5-50178.2-52.4-22.6000111.2L344 Y347 E365 C368 W369 A403 F404 R409 L413 H416L344-W407 HydrophobicContact CD2-CH2 4.12Å; L344-W407 HydrophobicContact CD2-CZ2 4.08Å; Y347-W407 HydrophobicContact CE1-CZ2 4.3Å; E365-W407 HydrophobicContact CB-CE3 4.2Å; E365-W407 HydrophobicContact CB-CH2 4.02Å; E365-W407 HydrophobicContact CB-CZ3 3.77Å; E365-W407 HydrophobicContact CG-CD2 4.36Å; E365-W407 HydrophobicContact CG-CE3 4.19Å; E365-W407 HydrophobicContact CG-CH2 3.66Å; E365-W407 HydrophobicContact CG-CZ2 3.83Å; E365-W407 HydrophobicContact CG-CZ3 3.85Å; E365-W407 VanDerWaalsContact OE2-CD2 3.25Å; C368-W407 HydrophobicContact CB-CH2 3.95Å; C368-W407 HydrophobicContact CB-CZ3 4.01Å; W369-W407 HydrophobicContact CZ2-CE3 4.3Å; A403-W407 HydrophobicContact CB-CD2 4.38Å; A403-W407 HydrophobicContact CB-CH2 4.09Å; A403-W407 HydrophobicContact CB-CZ2 3.75Å; A403-W407 PolarHBondContact O-N 3.44Å; F404-W407 AromaticContact CD1-CE3 3.91Å; F404-W407 HydrophobicContact CD1-CE3 3.91Å; F404-W407 AromaticContact CD1-CZ3 3.8Å; F404-W407 HydrophobicContact CD1-CZ3 3.8Å; F404-W407 HydrophobicContact CE1-CZ3 4.06Å; W407-R409 PolarHBondContact O-N 3.32Å; W407-L413 PolarHBondContact O-N 2.76Å; W407-H416 HydrophobicContact CB-CB 4.14Å; W407-H416 AromaticContact CD1-CE1 3.05Å; W407-H416 AromaticContact CD1-ND1 3.7Å; W407-H416 AromaticContact CD1-NE2 3.39Å; W407-H416 AromaticContact CG-CE1 3.5Å; W407-H416 AromaticContact CG-ND1 3.67Å; W407-H416 AromaticContact CG-NE2 3.91Å; W407-H416 AromaticContact NE1-CE1 3.64Å
408T97.1Very high96.4Very high40 Ų4068.7 Ų68.725%0.24534%0.339CS..THydrogen-bonded Turntrans-80.232.5177.176.90000114.6W369 F404 T426 I430W369-T408 HydrophobicContact CH2-CG2 3.69Å; W369-T408 HydrophobicContact CZ2-CG2 3.85Å; F404-T408 WeakPolarHBondContact O-CG2 3.45Å; F404-T408 PolarHBondContact O-N 3.31Å; F404-T408 PolarHBondContact O-OG1 2.71Å; F404-T408 VanDerWaalsContact O-OG1 3.09Å; T408-T426 HydrophobicContact CG2-CG2 4.38Å; T408-I430 HydrophobicContact CG2-CD1 4.31Å; T408-I430 WeakPolarHBondContact OG1-CD1 3.25Å
409R96.4Very high96.2Very high135 Ų13566.7 Ų66.751%0.50933%0.331SS..SBendtrans-82.2144165-86.1175.1-63.5175.62.7108.9R405 A406 W407 E411 A412 L413R405-R409 WeakPolarHBondContact O-CG 3.23Å; A406-R409 PolarHBondContact O-NE 2.73Å; A406-R409 PolarHBondContact O-NH2 3.35Å; A406-R409 VanDerWaalsContact O-NH2 3.14Å; W407-R409 PolarHBondContact O-N 3.32Å; R409-E411 PolarHBondContact O-N 2.81Å; R409-A412 HydrophobicContact CB-CB 4.49Å; R409-A412 PolarHBondContact O-N 3Å; R409-L413 WeakPolarHBondContact O-CB 3.46Å; R409-L413 PolarHBondContact O-N 3.09Å
410K94.6Very high96.1Very high201 Ų20167.6 Ų67.687%0.87433%0.334SS*.THydrogen-bonded Turntrans-53.5-30.8178.9-163.2-159.7170-163.10113.6
411E95.1Very high96Very high174 Ų17467.7 Ų67.781%0.81333%0.334SS*.THydrogen-bonded Turntrans-81.5-17.6-178.9-69.8151.8-165.900114.2R409R409-E411 PolarHBondContact O-N 2.81Å
412A94.3Very high95.7Very high12 Ų1276.2 Ų76.210%0.09937%0.374CS..THydrogen-bonded Turntrans-118.6-21-176.700000112.8R409 P414 D415 H416R409-A412 HydrophobicContact CB-CB 4.49Å; R409-A412 PolarHBondContact O-N 3Å; A412-P414 VanDerWaalsContact C-N 3.29Å; A412-P414 VanDerWaalsContact O-N 3.11Å; A412-D415 WeakPolarHBondContact O-CB 3.41Å; A412-D415 PolarHBondContact O-N 3.36Å; A412-H416 PolarHBondContact O-CD2 3.27Å
413L94.9Very high95.4Very high55 Ų5575.6 Ų75.629%0.28838%0.375SS..G310 helixtrans-48.9-39-175.7-17965.4000114.4W407 R409 D415 H416 E417 I420W407-L413 PolarHBondContact O-N 2.76Å; R409-L413 WeakPolarHBondContact O-CB 3.46Å; R409-L413 PolarHBondContact O-N 3.09Å; L413-D415 PolarHBondContact O-N 3.17Å; L413-H416 CarbonylContact O-C 3.56Å; L413-H416 PolarHBondContact O-N 3.34Å; L413-E417 HydrophobicContact CD1-CB 3.92Å; L413-E417 HydrophobicContact CG-CB 4.16Å; L413-E417 WeakPolarHBondContact O-CB 3.47Å; L413-E417 WeakPolarHBondContact O-CG 3.38Å; L413-E417 PolarHBondContact O-N 2.73Å; L413-I420 HydrophobicContact CD1-CD1 4.08Å
414P95.6Very high95.2Very high79 Ų7975.6 Ų75.651%0.51337%0.374SS..G310 helixtrans-61.1-28.4175.6-24.436.4000114.5A412 H416A412-P414 VanDerWaalsContact C-N 3.29Å; A412-P414 VanDerWaalsContact O-N 3.11Å; P414-H416 PolarHBondContact O-N 3.34Å
415D91.3Very high95.1Very high128 Ų12885.3 Ų85.368%0.68441%0.41SS*.G310 helixtrans-81.5-0.1178.1-47.6-40.5000112.6A412 L413A412-D415 WeakPolarHBondContact O-CB 3.41Å; A412-D415 PolarHBondContact O-N 3.36Å; L413-D415 PolarHBondContact O-N 3.17Å
416H95.4Very high95.1Very high21 Ų2181.3 Ų81.310%0.09740%0.398CS..THydrogen-bonded Turntrans-140.6-15-165.3-71.7-73.4000114.3K351 E365 W407 A412 L413 P414 E419 I420K351-H416 PolarHBondContact NZ-CE1 3.39Å; K351-H416 VanDerWaalsContact NZ-CE1 3.32Å; E365-H416 IonicContact OE1-CE1 3.23Å; E365-H416 PolarHBondContact OE1-CE1 2.84Å; E365-H416 IonicContact OE1-ND1 2.98Å; E365-H416 PolarHBondContact OE1-ND1 3.1Å; E365-H416 IonicContact OE2-CE1 2.69Å; E365-H416 IonicContact OE2-CG 2.64Å; E365-H416 IonicContact OE2-ND1 2.66Å; E365-H416 PolarHBondContact OE2-ND1 2.94Å; W407-H416 HydrophobicContact CB-CB 4.14Å; W407-H416 AromaticContact CD1-CE1 3.05Å; W407-H416 AromaticContact CD1-ND1 3.7Å; W407-H416 AromaticContact CD1-NE2 3.39Å; W407-H416 AromaticContact CG-CE1 3.5Å; W407-H416 AromaticContact CG-ND1 3.67Å; W407-H416 AromaticContact CG-NE2 3.91Å; W407-H416 AromaticContact NE1-CE1 3.64Å; A412-H416 PolarHBondContact O-CD2 3.27Å; L413-H416 CarbonylContact O-C 3.56Å; L413-H416 PolarHBondContact O-N 3.34Å; P414-H416 PolarHBondContact O-N 3.34Å; H416-E419 PolarHBondContact O-N 3.41Å; H416-I420 WeakPolarHBondContact O-CG1 3.41Å
417E94.2Very high95Very high100 Ų10084 Ų8447%0.46741%0.412SS..G310 helixtrans-73.2-29.8-169.260.2-168.4153.600113.9L413 E419 I420L413-E417 HydrophobicContact CD1-CB 3.92Å; L413-E417 HydrophobicContact CG-CB 4.16Å; L413-E417 WeakPolarHBondContact O-CB 3.47Å; L413-E417 WeakPolarHBondContact O-CG 3.38Å; L413-E417 PolarHBondContact O-N 2.73Å; E417-E419 VanDerWaalsContact C-N 3.34Å; E417-E419 PolarHBondContact O-N 3.01Å; E417-I420 HydrophobicContact CB-CD1 4.26Å; E417-I420 WeakPolarHBondContact O-CB 3.23Å; E417-I420 PolarHBondContact O-N 2.79Å
418D94.2Very high95Very high140 Ų14088.2 Ų88.275%0.74943%0.432SS*.G310 helixtrans-67.5-27.2176.6-66.3-31.2000113.5F226 I420F226-D418 WeakPolarHBondContact CE1-O 3.4Å; F226-D418 WeakPolarHBondContact CZ-O 3.42Å; D418-I420 VanDerWaalsContact C-N 3.31Å; D418-I420 PolarHBondContact O-N 3.07Å
419E94.8Very high95.1Very high48 Ų4887 Ų8722%0.22442%0.423CS..G310 helixtrans-82.2-1.4175.8-78.4-156.7-112.300113.6N363 F364 E365 T366 H416 E417 P421N363-E419 VanDerWaalsContact C-OE2 3.25Å; F364-E419 PolarHBondContact N-OE2 2.72Å; E365-E419 WeakPolarHBondContact CA-OE2 3.31Å; E365-E419 HydrophobicContact CB-CB 3.95Å; E365-E419 HydrophobicContact CB-CG 4.43Å; E365-E419 WeakPolarHBondContact CB-OE2 3.44Å; E365-E419 PolarHBondContact N-OE2 2.94Å; T366-E419 VanDerWaalsContact CA-O 3.27Å; T366-E419 WeakPolarHBondContact CA-O 3.18Å; T366-E419 WeakPolarHBondContact CB-O 3.27Å; T366-E419 PolarHBondContact N-OE2 3.47Å; T366-E419 PolarHBondContact OG1-O 3.21Å; H416-E419 PolarHBondContact O-N 3.41Å; E417-E419 VanDerWaalsContact C-N 3.34Å; E417-E419 PolarHBondContact O-N 3.01Å; E419-P421 WeakPolarHBondContact O-CD 3.45Å
420I96.4Very high95.2Very high34 Ų3481.4 Ų81.417%0.17440%0.404CS..SBendtrans-84.3119.2-176-56.2174.7000110.6W369 L413 H416 E417 D418 E422 T426W369-I420 HydrophobicContact CZ2-CG1 4.33Å; L413-I420 HydrophobicContact CD1-CD1 4.08Å; H416-I420 WeakPolarHBondContact O-CG1 3.41Å; E417-I420 HydrophobicContact CB-CD1 4.26Å; E417-I420 WeakPolarHBondContact O-CB 3.23Å; E417-I420 PolarHBondContact O-N 2.79Å; D418-I420 VanDerWaalsContact C-N 3.31Å; D418-I420 PolarHBondContact O-N 3.07Å; I420-E422 PolarHBondContact O-N 2.85Å; I420-T426 HydrophobicContact CD1-CG2 4.19Å; I420-T426 HydrophobicContact CG2-CG2 3.53Å
421P95.1Very high95.3Very high2 Ų277.8 Ų77.81%0.01339%0.388CS..  trans-65.4131175.8-15.927.5000112.2T366 W369 Y370 E419 T423 V424T366-P421 HydrophobicContact CG2-CG 3.84Å; W369-P421 HydrophobicContact CB-CG 3.94Å; Y370-P421 HydrophobicContact CD1-CG 4.28Å; Y370-P421 HydrophobicContact CD2-CG 4.39Å; Y370-P421 HydrophobicContact CE1-CB 3.71Å; Y370-P421 HydrophobicContact CE1-CG 3.85Å; Y370-P421 HydrophobicContact CE2-CB 4.43Å; Y370-P421 HydrophobicContact CE2-CG 3.98Å; E419-P421 WeakPolarHBondContact O-CD 3.45Å; P421-T423 PolarHBondContact O-N 2.88Å; P421-V424 HydrophobicContact CB-CB 4.49Å; P421-V424 HydrophobicContact CB-CG2 3.98Å; P421-V424 HydrophobicContact CG-CG2 4.11Å; P421-V424 WeakPolarHBondContact O-CA 3.18Å; P421-V424 WeakPolarHBondContact O-CB 3.47Å; P421-V424 PolarHBondContact O-N 3.35Å
422E91.5Very high95.5Very high180 Ų18070.1 Ų70.184%0.84135%0.352SS*.THydrogen-bonded Turntrans-51.9-33.1179.3-59.2-171.4163.100113.6I420 V424I420-E422 PolarHBondContact O-N 2.85Å; E422-V424 PolarHBondContact O-N 3.04Å; E422-V424 VanDerWaalsContact O-N 3.16Å
423T92.1Very high95.6Very high90 Ų9069.5 Ų69.555%0.55235%0.347SS*.THydrogen-bonded Turntrans-70.5-5.1178.278.60000114.1K373 P421K373-T423 PolarHBondContact NZ-OG1 2.84Å; P421-T423 PolarHBondContact O-N 2.88Å
424V94.5Very high95.8Very high11 Ų1167.4 Ų67.47%0.06734%0.338CS..  trans-109.8101.3-173.4179.50000111.1W369 K373 P421 E422 T426 L429W369-V424 HydrophobicContact CB-CG1 4.38Å; W369-V424 HydrophobicContact CB-CG2 4.41Å; W369-V424 HydrophobicContact CD2-CG1 4.37Å; W369-V424 HydrophobicContact CE3-CG1 3.82Å; K373-V424 HydrophobicContact CD-CG2 4.33Å; P421-V424 HydrophobicContact CB-CB 4.49Å; P421-V424 HydrophobicContact CB-CG2 3.98Å; P421-V424 HydrophobicContact CG-CG2 4.11Å; P421-V424 WeakPolarHBondContact O-CA 3.18Å; P421-V424 WeakPolarHBondContact O-CB 3.47Å; P421-V424 PolarHBondContact O-N 3.35Å; E422-V424 PolarHBondContact O-N 3.04Å; E422-V424 VanDerWaalsContact O-N 3.16Å; V424-T426 VanDerWaalsContact C-N 3.3Å; V424-T426 HydrophobicContact CG1-CG2 4.46Å; V424-T426 PolarHBondContact O-N 2.98Å; V424-L429 HydrophobicContact CG1-CD2 3.63Å
425R96.3Very high95.8Very high203 Ų20369.8 Ų69.877%0.76634%0.337SS*.  trans-75.479.7171.7-69.1-179.7-70.8172.7-3.7110.9V427 Q428 L429R425-V427 PolarHBondContact O-N 3.47Å; R425-Q428 HydrophobicContact CB-CB 4.22Å; R425-Q428 WeakPolarHBondContact O-CA 3.45Å; R425-Q428 WeakPolarHBondContact O-CB 3.48Å; R425-Q428 PolarHBondContact O-N 2.73Å; R425-L429 PolarHBondContact O-N 3.49Å
426T96.9Very high96.1Very high25 Ų2564 Ų6415%0.15331%0.305CS..Hα-helixtrans-39.8-55-174.358.60000114.3W369 T408 I420 V424 Q428 L429 I430W369-T426 HydrophobicContact CE3-CG2 4.19Å; W369-T426 HydrophobicContact CH2-CG2 3.55Å; W369-T426 HydrophobicContact CZ2-CG2 3.9Å; W369-T426 HydrophobicContact CZ3-CG2 3.71Å; T408-T426 HydrophobicContact CG2-CG2 4.38Å; I420-T426 HydrophobicContact CD1-CG2 4.19Å; I420-T426 HydrophobicContact CG2-CG2 3.53Å; V424-T426 VanDerWaalsContact C-N 3.3Å; V424-T426 HydrophobicContact CG1-CG2 4.46Å; V424-T426 PolarHBondContact O-N 2.98Å; T426-Q428 VanDerWaalsContact C-N 3.26Å; T426-Q428 PolarHBondContact O-N 3.41Å; T426-L429 PolarHBondContact O-N 2.83Å; T426-L429 VanDerWaalsContact O-N 3.15Å; T426-I430 WeakPolarHBondContact O-CB 3.35Å; T426-I430 VanDerWaalsContact O-CG1 3.31Å; T426-I430 WeakPolarHBondContact O-CG1 3.21Å; T426-I430 PolarHBondContact O-N 3.23Å
427V97.1Very high96.1Very high83 Ų8363.3 Ų63.350%0.50330%0.302SS..Hα-helixtrans-60.5-32.1-178.8176.70000112.8R425 K431R425-V427 PolarHBondContact O-N 3.47Å; V427-K431 HydrophobicContact CG1-CD 4.25Å; V427-K431 VanDerWaalsContact CG1-NZ 3.28Å; V427-K431 WeakPolarHBondContact O-CB 3.28Å; V427-K431 VanDerWaalsContact O-CD 3.24Å; V427-K431 WeakPolarHBondContact O-CD 3.43Å; V427-K431 WeakPolarHBondContact O-CG 3.46Å
428Q97.9Very high96.1Very high92 Ų9265.1 Ų65.143%0.4331%0.305SS..Hα-helixtrans-77.5-46.3175.3-174.763.229.400110.7R425 T426 K431 D432R425-Q428 HydrophobicContact CB-CB 4.22Å; R425-Q428 WeakPolarHBondContact O-CA 3.45Å; R425-Q428 WeakPolarHBondContact O-CB 3.48Å; R425-Q428 PolarHBondContact O-N 2.73Å; T426-Q428 VanDerWaalsContact C-N 3.26Å; T426-Q428 PolarHBondContact O-N 3.41Å; Q428-K431 PolarHBondContact O-N 3.06Å; Q428-D432 VanDerWaalsContact NE2-CG 3.32Å; Q428-D432 PolarHBondContact NE2-OD1 3.44Å; Q428-D432 PolarHBondContact NE2-OD2 3.24Å; Q428-D432 PolarHBondContact O-N 2.82Å
429L98.1Very high96.1Very high13 Ų1361.9 Ų61.97%0.06829%0.287CS..Hα-helixtrans-56.9-51.9178.7174.755000111.5W369 K373 L376 F404 V424 R425 T426 K431 D432 L433W369-L429 HydrophobicContact CE3-CD2 3.95Å; W369-L429 HydrophobicContact CZ3-CD2 4.27Å; K373-L429 HydrophobicContact CB-CD2 4.47Å; L376-L429 HydrophobicContact CB-CD1 4.07Å; L376-L429 HydrophobicContact CD2-CD1 3.68Å; F404-L429 HydrophobicContact CE2-CD2 4.11Å; F404-L429 HydrophobicContact CE2-CG 4.43Å; V424-L429 HydrophobicContact CG1-CD2 3.63Å; R425-L429 PolarHBondContact O-N 3.49Å; T426-L429 PolarHBondContact O-N 2.83Å; T426-L429 VanDerWaalsContact O-N 3.15Å; L429-K431 VanDerWaalsContact C-N 3.32Å; L429-K431 PolarHBondContact O-N 3.43Å; L429-D432 PolarHBondContact O-N 3.28Å; L429-L433 WeakPolarHBondContact O-CB 3.47Å; L429-L433 PolarHBondContact O-N 3.13Å
430I98.3Very high96Very high19 Ų1960.1 Ų60.110%0.09728%0.28CS..Hα-helixtrans-54.6-46.4177.1-70.8168000111.3W369 N401 F404 R405 T408 T426 A434W369-I430 HydrophobicContact CH2-CD1 4.33Å; N401-I430 PolarHBondContact ND2-O 3.18Å; N401-I430 PolarHBondContact OD1-O 3.5Å; F404-I430 HydrophobicContact CB-CD1 3.96Å; F404-I430 HydrophobicContact CB-CG1 3.79Å; F404-I430 HydrophobicContact CD2-CG1 4.39Å; R405-I430 HydrophobicContact CG-CD1 4.36Å; R405-I430 HydrophobicContact CG-CG2 3.57Å; T408-I430 HydrophobicContact CG2-CD1 4.31Å; T408-I430 WeakPolarHBondContact OG1-CD1 3.25Å; T426-I430 WeakPolarHBondContact O-CB 3.35Å; T426-I430 VanDerWaalsContact O-CG1 3.31Å; T426-I430 WeakPolarHBondContact O-CG1 3.21Å; T426-I430 PolarHBondContact O-N 3.23Å; I430-A434 WeakPolarHBondContact O-CB 2.98Å; I430-A434 PolarHBondContact O-N 3.37Å
431K98.1Very high95.7Very high124 Ų12461.1 Ų61.154%0.53928%0.284SS..Hα-helixtrans-68.1-41.5-178-75173-172.3169.60112.7V427 Q428 L429 R435V427-K431 HydrophobicContact CG1-CD 4.25Å; V427-K431 VanDerWaalsContact CG1-NZ 3.28Å; V427-K431 WeakPolarHBondContact O-CB 3.28Å; V427-K431 VanDerWaalsContact O-CD 3.24Å; V427-K431 WeakPolarHBondContact O-CD 3.43Å; V427-K431 WeakPolarHBondContact O-CG 3.46Å; Q428-K431 PolarHBondContact O-N 3.06Å; L429-K431 VanDerWaalsContact C-N 3.32Å; L429-K431 PolarHBondContact O-N 3.43Å; K431-R435 PolarHBondContact O-N 2.85Å; K431-R435 VanDerWaalsContact O-N 3.07Å
432D98.1Very high95.5Very high13 Ų1365 Ų657%0.0730%0.304CS..Hα-helixtrans-77.3-43.4-179.3-79.4-16.1000112.1L376 R380 Q428 L429 A434 R435 E436L376-D432 HydrophobicContact CD1-CB 3.94Å; L376-D432 HydrophobicContact CD2-CB 3.79Å; R380-D432 IonicContact NH2-OD2 2.66Å; R380-D432 PolarHBondContact NH2-OD2 2.86Å; Q428-D432 VanDerWaalsContact NE2-CG 3.32Å; Q428-D432 PolarHBondContact NE2-OD1 3.44Å; Q428-D432 PolarHBondContact NE2-OD2 3.24Å; Q428-D432 PolarHBondContact O-N 2.82Å; L429-D432 PolarHBondContact O-N 3.28Å; D432-A434 PolarHBondContact O-N 3.35Å; D432-R435 WeakPolarHBondContact O-CA 3.31Å; D432-R435 WeakPolarHBondContact O-CB 3.35Å; D432-R435 PolarHBondContact O-N 2.91Å; D432-R435 IonicContact OD1-CZ 3.24Å; D432-R435 IonicContact OD1-NE 3.72Å; D432-R435 PolarHBondContact OD1-NE 2.86Å; D432-R435 IonicContact OD1-NH2 3.39Å; D432-R435 PolarHBondContact OD1-NH2 3.24Å; D432-E436 PolarHBondContact O-N 3.41Å
433L97.6Very high95.3Very high0 Ų058.8 Ų58.80%028%0.276CS..Hα-helixtrans-58.8-37.9172.3-175.856.3000110.5I375 L376 F379 N401 F404 L429 R435 E436 I437I375-L433 HydrophobicContact CG2-CD1 4.04Å; L376-L433 HydrophobicContact CB-CD1 4.41Å; F379-L433 HydrophobicContact CD2-CD1 3.92Å; F379-L433 HydrophobicContact CE2-CD1 3.8Å; N401-L433 HydrophobicContact CB-CD2 3.84Å; N401-L433 HydrophobicContact CB-CG 4.1Å; F404-L433 HydrophobicContact CE2-CD2 4.19Å; L429-L433 WeakPolarHBondContact O-CB 3.47Å; L429-L433 PolarHBondContact O-N 3.13Å; L433-R435 VanDerWaalsContact C-N 3.31Å; L433-R435 PolarHBondContact O-N 3.26Å; L433-E436 PolarHBondContact O-N 2.68Å; L433-I437 HydrophobicContact CD1-CD1 4.04Å; L433-I437 HydrophobicContact CD1-CG1 4.38Å; L433-I437 HydrophobicContact CG-CD1 3.93Å; L433-I437 WeakPolarHBondContact O-CB 3.48Å; L433-I437 VanDerWaalsContact O-CD1 3.31Å; L433-I437 WeakPolarHBondContact O-CD1 3.05Å; L433-I437 WeakPolarHBondContact O-CG1 2.93Å; L433-I437 PolarHBondContact O-N 3.18Å
434A97.7Very high95Very high10 Ų1058.3 Ų58.38%0.08327%0.267CS..Hα-helixtrans-66.9-31.5173.300000112.8N401 I430 D432 R438N401-A434 WeakPolarHBondContact ND2-CA 3.46Å; N401-A434 WeakPolarHBondContact ND2-CB 3.35Å; N401-A434 PolarHBondContact ND2-N 3.36Å; I430-A434 WeakPolarHBondContact O-CB 2.98Å; I430-A434 PolarHBondContact O-N 3.37Å; D432-A434 PolarHBondContact O-N 3.35Å; A434-R438 VanDerWaalsContact C-NH2 3.28Å; A434-R438 WeakPolarHBondContact O-CG 3.35Å; A434-R438 VanDerWaalsContact O-CZ 3.31Å; A434-R438 PolarHBondContact O-N 2.64Å; A434-R438 PolarHBondContact O-NE 3.01Å; A434-R438 PolarHBondContact O-NH2 3.25Å
435R97.3Very high94.5Very high130 Ų13063.8 Ų63.849%0.49129%0.291SS..Hα-helixtrans-68.7-49.7176.4-166.5-160.5-51.4-124.26.4110.2K431 D432 L433 R438 L439K431-R435 PolarHBondContact O-N 2.85Å; K431-R435 VanDerWaalsContact O-N 3.07Å; D432-R435 WeakPolarHBondContact O-CA 3.31Å; D432-R435 WeakPolarHBondContact O-CB 3.35Å; D432-R435 PolarHBondContact O-N 2.91Å; D432-R435 IonicContact OD1-CZ 3.24Å; D432-R435 IonicContact OD1-NE 3.72Å; D432-R435 PolarHBondContact OD1-NE 2.86Å; D432-R435 IonicContact OD1-NH2 3.39Å; D432-R435 PolarHBondContact OD1-NH2 3.24Å; L433-R435 VanDerWaalsContact C-N 3.31Å; L433-R435 PolarHBondContact O-N 3.26Å; R435-R438 PolarHBondContact O-N 2.7Å; R435-L439 HydrophobicContact CG-CD1 4.38Å; R435-L439 WeakPolarHBondContact O-CG 3.42Å; R435-L439 PolarHBondContact O-N 3.22Å; R435-L439 VanDerWaalsContact O-N 3.11Å
436E96.2Very high93.7Very high5 Ų559.3 Ų59.32%0.02328%0.279CS..Hα-helixtrans-64.3-45.1-178.8-60.5-48.3150.300112.4L376 F379 R380 R383 D432 L433 R438 L439 V440L376-E436 HydrophobicContact CD1-CG 3.62Å; F379-E436 HydrophobicContact CB-CB 3.91Å; F379-E436 HydrophobicContact CB-CG 4.27Å; F379-E436 HydrophobicContact CD2-CB 3.94Å; F379-E436 HydrophobicContact CG-CB 4.4Å; R380-E436 HydrophobicContact CG-CG 4.39Å; R383-E436 IonicContact CZ-OE1 2.78Å; R383-E436 IonicContact CZ-OE2 3.21Å; R383-E436 VanDerWaalsContact CZ-OE2 3.24Å; R383-E436 IonicContact NE-OE2 2.95Å; R383-E436 IonicContact NH1-OE1 3.9Å; R383-E436 PolarHBondContact NH1-OE1 2.63Å; R383-E436 IonicContact NH1-OE2 2.85Å; R383-E436 PolarHBondContact NH1-OE2 3.41Å; R383-E436 IonicContact NH2-OE1 3.57Å; R383-E436 PolarHBondContact NH2-OE1 3.16Å; R383-E436 IonicContact NH2-OE2 2.95Å; D432-E436 PolarHBondContact O-N 3.41Å; L433-E436 PolarHBondContact O-N 2.68Å; E436-R438 VanDerWaalsContact C-N 3.33Å; E436-R438 PolarHBondContact O-N 2.91Å; E436-L439 PolarHBondContact O-N 2.68Å; E436-V440 WeakPolarHBondContact O-CG2 3.1Å; E436-V440 PolarHBondContact O-N 2.91Å
437I95.6Very high92.5Very high7 Ų760.9 Ų60.94%0.03629%0.287CS..Hα-helixtrans-56-47.3176.9-68.5162.8000111.1F379 V394 G397 K398 N401 L433 L439 V440 E441F379-I437 HydrophobicContact CD2-CG1 4.4Å; F379-I437 HydrophobicContact CE2-CD1 4.49Å; F379-I437 HydrophobicContact CE2-CG1 3.72Å; V394-I437 HydrophobicContact CG1-CG2 4.42Å; G397-I437 WeakPolarHBondContact O-CD1 3.42Å; K398-I437 HydrophobicContact CB-CD1 4.23Å; K398-I437 HydrophobicContact CB-CG2 4.32Å; K398-I437 HydrophobicContact CD-CG2 4.41Å; K398-I437 HydrophobicContact CG-CG2 4.47Å; N401-I437 HydrophobicContact CB-CD1 4.27Å; L433-I437 HydrophobicContact CD1-CD1 4.04Å; L433-I437 HydrophobicContact CD1-CG1 4.38Å; L433-I437 HydrophobicContact CG-CD1 3.93Å; L433-I437 WeakPolarHBondContact O-CB 3.48Å; L433-I437 VanDerWaalsContact O-CD1 3.31Å; L433-I437 WeakPolarHBondContact O-CD1 3.05Å; L433-I437 WeakPolarHBondContact O-CG1 2.93Å; L433-I437 PolarHBondContact O-N 3.18Å; I437-L439 PolarHBondContact O-N 3.46Å; I437-V440 PolarHBondContact O-N 3.01Å; I437-E441 HydrophobicContact CG2-CG 4.26Å; I437-E441 WeakPolarHBondContact O-CB 3.24Å; I437-E441 WeakPolarHBondContact O-CG 3.37Å; I437-E441 PolarHBondContact O-N 3.4Å
438R95.4Very high90.9Very high139 Ų13961.6 Ų61.653%0.52529%0.291SS..Hα-helixtrans-62.9-41.7178.5-77.1174.1-67.5-158.7-2.4112.8A434 R435 E436 V440 E441 D442A434-R438 VanDerWaalsContact C-NH2 3.28Å; A434-R438 WeakPolarHBondContact O-CG 3.35Å; A434-R438 VanDerWaalsContact O-CZ 3.31Å; A434-R438 PolarHBondContact O-N 2.64Å; A434-R438 PolarHBondContact O-NE 3.01Å; A434-R438 PolarHBondContact O-NH2 3.25Å; R435-R438 PolarHBondContact O-N 2.7Å; E436-R438 VanDerWaalsContact C-N 3.33Å; E436-R438 PolarHBondContact O-N 2.91Å; R438-V440 VanDerWaalsContact C-N 3.28Å; R438-V440 PolarHBondContact O-N 3.43Å; R438-E441 PolarHBondContact O-N 2.77Å; R438-D442 WeakPolarHBondContact O-CB 3.4Å; R438-D442 VanDerWaalsContact O-CG 3.32Å; R438-D442 PolarHBondContact O-N 2.96Å
439L93.5Very high88.7Confident72 Ų7258.9 Ų58.938%0.37729%0.287SS..Hα-helixtrans-61.8-38.3176.8-70.3170.5000111.5R435 E436 I437 I443R435-L439 HydrophobicContact CG-CD1 4.38Å; R435-L439 WeakPolarHBondContact O-CG 3.42Å; R435-L439 PolarHBondContact O-N 3.22Å; R435-L439 VanDerWaalsContact O-N 3.11Å; E436-L439 PolarHBondContact O-N 2.68Å; I437-L439 PolarHBondContact O-N 3.46Å; L439-I443 WeakPolarHBondContact O-CD1 3.49Å; L439-I443 VanDerWaalsContact O-CG1 3.24Å; L439-I443 WeakPolarHBondContact O-CG1 3.49Å; L439-I443 PolarHBondContact O-N 2.77Å
440V91.8Very high86.6Confident11 Ų1163.4 Ų63.47%0.06731%0.307CS..Hα-helixtrans-70.6-44.7175.7172.70000111.4P389 V394 E436 I437 R438 D442 I443 F444P389-V440 HydrophobicContact CG-CG1 3.84Å; P389-V440 HydrophobicContact CG-CG2 4.03Å; V394-V440 HydrophobicContact CG1-CG1 4.28Å; V394-V440 HydrophobicContact CG2-CG1 3.63Å; E436-V440 WeakPolarHBondContact O-CG2 3.1Å; E436-V440 PolarHBondContact O-N 2.91Å; I437-V440 PolarHBondContact O-N 3.01Å; R438-V440 VanDerWaalsContact C-N 3.28Å; R438-V440 PolarHBondContact O-N 3.43Å; V440-D442 VanDerWaalsContact C-N 3.32Å; V440-D442 PolarHBondContact O-N 3.48Å; V440-I443 PolarHBondContact O-N 3.17Å; V440-I443 VanDerWaalsContact O-N 3.15Å; V440-F444 HydrophobicContact CG1-CD2 3.66Å; V440-F444 HydrophobicContact CG1-CE2 3.48Å; V440-F444 VanDerWaalsContact CG1-CE2 3.48Å; V440-F444 VanDerWaalsContact O-CD2 3.3Å; V440-F444 WeakPolarHBondContact O-CD2 3.28Å; V440-F444 PolarHBondContact O-N 3.02Å
441E91.3Very high84.2Confident55 Ų5567 Ų6726%0.25733%0.329SS..Hα-helixtrans-59-39.9174.4-73.3179.8134.900112.4K398 I437 R438 I443 F444 Q445K398-E441 IonicContact NZ-OE1 2.81Å; K398-E441 PolarHBondContact NZ-OE1 2.66Å; I437-E441 HydrophobicContact CG2-CG 4.26Å; I437-E441 WeakPolarHBondContact O-CB 3.24Å; I437-E441 WeakPolarHBondContact O-CG 3.37Å; I437-E441 PolarHBondContact O-N 3.4Å; R438-E441 PolarHBondContact O-N 2.77Å; E441-I443 VanDerWaalsContact C-N 3.34Å; E441-F444 PolarHBondContact O-N 3.34Å; E441-Q445 WeakPolarHBondContact O-CB 3.25Å; E441-Q445 VanDerWaalsContact O-CG 3.31Å; E441-Q445 WeakPolarHBondContact O-CG 3.04Å; E441-Q445 PolarHBondContact O-N 3.18Å; E441-Q445 PolarHBondContact O-NE2 2.88Å; E441-Q445 VanDerWaalsContact O-NE2 3.1Å
442D90.2Very high81.4Confident83 Ų8365.1 Ų65.144%0.44433%0.332SS..Hα-helixtrans-65.2-36175.7-77.4-22.8000112R438 V440 Q446R438-D442 WeakPolarHBondContact O-CB 3.4Å; R438-D442 VanDerWaalsContact O-CG 3.32Å; R438-D442 PolarHBondContact O-N 2.96Å; V440-D442 VanDerWaalsContact C-N 3.32Å; V440-D442 PolarHBondContact O-N 3.48Å; D442-Q446 WeakPolarHBondContact O-CB 3.41Å; D442-Q446 VanDerWaalsContact O-CG 3.27Å; D442-Q446 WeakPolarHBondContact O-CG 3.41Å; D442-Q446 PolarHBondContact O-N 3.43Å; D442-Q446 PolarHBondContact O-NE2 3.2Å
443I87.5Confident78.7Confident49 Ų4971 Ų7125%0.25136%0.363SS..Hα-helixtrans-71.7-43.9176.9-68.1162.9000111H388 L439 V440 E441 Q445 Q446 N447H388-I443 WeakPolarHBondContact NE2-CG2 3.46Å; L439-I443 WeakPolarHBondContact O-CD1 3.49Å; L439-I443 VanDerWaalsContact O-CG1 3.24Å; L439-I443 WeakPolarHBondContact O-CG1 3.49Å; L439-I443 PolarHBondContact O-N 2.77Å; V440-I443 PolarHBondContact O-N 3.17Å; V440-I443 VanDerWaalsContact O-N 3.15Å; E441-I443 VanDerWaalsContact C-N 3.34Å; I443-Q445 VanDerWaalsContact C-N 3.34Å; I443-Q445 PolarHBondContact O-N 3.4Å; I443-Q446 WeakPolarHBondContact O-CB 3.47Å; I443-Q446 PolarHBondContact O-N 2.91Å; I443-N447 PolarHBondContact O-N 2.92Å
444F85.3Confident76.2Confident81 Ų8177.1 Ų77.136%0.35540%0.395SS..Hα-helixtrans-59.8-44.5174.4-82.2-67.5000111.5V394 V440 E441 Q446 N447 V448V394-F444 HydrophobicContact CG2-CE2 4.31Å; V440-F444 HydrophobicContact CG1-CD2 3.66Å; V440-F444 HydrophobicContact CG1-CE2 3.48Å; V440-F444 VanDerWaalsContact CG1-CE2 3.48Å; V440-F444 VanDerWaalsContact O-CD2 3.3Å; V440-F444 WeakPolarHBondContact O-CD2 3.28Å; V440-F444 PolarHBondContact O-N 3.02Å; E441-F444 PolarHBondContact O-N 3.34Å; F444-Q446 PolarHBondContact O-N 3.01Å; F444-N447 PolarHBondContact O-N 3.45Å; F444-N447 VanDerWaalsContact O-N 3.13Å; F444-V448 WeakPolarHBondContact O-CG2 3.41Å; F444-V448 PolarHBondContact O-N 3.1Å
445Q84.7Confident73.4Confident125 Ų12585.5 Ų85.558%0.58443%0.43SS*.Hα-helixtrans-59.8-42.1173.9-76172.880.500112.7E441 I443 N447 V448 G449E441-Q445 WeakPolarHBondContact O-CB 3.25Å; E441-Q445 VanDerWaalsContact O-CG 3.31Å; E441-Q445 WeakPolarHBondContact O-CG 3.04Å; E441-Q445 PolarHBondContact O-N 3.18Å; E441-Q445 PolarHBondContact O-NE2 2.88Å; E441-Q445 VanDerWaalsContact O-NE2 3.1Å; I443-Q445 VanDerWaalsContact C-N 3.34Å; I443-Q445 PolarHBondContact O-N 3.4Å; Q445-N447 VanDerWaalsContact C-N 3.26Å; Q445-N447 PolarHBondContact O-N 3.12Å; Q445-V448 PolarHBondContact O-N 3.14Å; Q445-G449 PolarHBondContact O-N 3.4Å
446Q80.4Confident70.4Confident109 Ų10983.1 Ų83.151%0.50945%0.446SS..Hα-helixtrans-62.5-31.5175.3-78.3172.758.800113.2D442 I443 F444 K450D442-Q446 WeakPolarHBondContact O-CB 3.41Å; D442-Q446 VanDerWaalsContact O-CG 3.27Å; D442-Q446 WeakPolarHBondContact O-CG 3.41Å; D442-Q446 PolarHBondContact O-N 3.43Å; D442-Q446 PolarHBondContact O-NE2 3.2Å; I443-Q446 WeakPolarHBondContact O-CB 3.47Å; I443-Q446 PolarHBondContact O-N 2.91Å; F444-Q446 PolarHBondContact O-N 3.01Å; Q446-K450 WeakPolarHBondContact O-CD 3.4Å; Q446-K450 VanDerWaalsContact O-CE 3.31Å; Q446-K450 WeakPolarHBondContact O-CE 3.21Å; Q446-K450 VanDerWaalsContact O-CG 3.24Å; Q446-K450 WeakPolarHBondContact O-CG 3.25Å; Q446-K450 PolarHBondContact O-N 3.45Å
447N70.9Confident67.3Low59 Ų5990.1 Ų90.132%0.31648%0.482SS..Hα-helixtrans-79.5-39.4179.5-67.9-18.3000111.7I443 F444 Q445 G449 K450 T451I443-N447 PolarHBondContact O-N 2.92Å; F444-N447 PolarHBondContact O-N 3.45Å; F444-N447 VanDerWaalsContact O-N 3.13Å; Q445-N447 VanDerWaalsContact C-N 3.26Å; Q445-N447 PolarHBondContact O-N 3.12Å; N447-G449 VanDerWaalsContact C-N 3.27Å; N447-G449 PolarHBondContact O-N 3.41Å; N447-K450 PolarHBondContact O-N 2.98Å; N447-K450 PolarHBondContact OD1-NZ 2.71Å; N447-T451 PolarHBondContact O-N 3Å; N447-T451 PolarHBondContact O-OG1 2.66Å
448V63.2Low64.3Low98 Ų9898 Ų9859%0.59452%0.519SS*.Hα-helixtrans-61.5-36.4168.7176.50000111.3F444 Q445 K450 T451 S452F444-V448 WeakPolarHBondContact O-CG2 3.41Å; F444-V448 PolarHBondContact O-N 3.1Å; Q445-V448 PolarHBondContact O-N 3.14Å; V448-K450 PolarHBondContact O-N 2.86Å; V448-T451 PolarHBondContact O-OG1 3.19Å; V448-S452 WeakPolarHBondContact O-CB 3.1Å; V448-S452 PolarHBondContact O-N 2.73Å; V448-S452 PolarHBondContact O-OG 3.1Å
449G51.1Low61.1Low34 Ų34102.4 Ų102.435%0.35154%0.536SS..Hα-helixtrans-67.2-17.3172.600000115Q445 N447 S452 N453Q445-G449 PolarHBondContact O-N 3.4Å; N447-G449 VanDerWaalsContact C-N 3.27Å; N447-G449 PolarHBondContact O-N 3.41Å; G449-S452 PolarHBondContact O-OG 2.65Å; G449-N453 PolarHBondContact O-ND2 2.99Å
450K54.7Low58.1Low109 Ų109105.7 Ų105.747%0.47455%0.552SS.*Hα-helixtrans-92.8-45176-69.9160.5-159.1161.10111.7Q446 N447 V448 S452 N453Q446-K450 WeakPolarHBondContact O-CD 3.4Å; Q446-K450 VanDerWaalsContact O-CE 3.31Å; Q446-K450 WeakPolarHBondContact O-CE 3.21Å; Q446-K450 VanDerWaalsContact O-CG 3.24Å; Q446-K450 WeakPolarHBondContact O-CG 3.25Å; Q446-K450 PolarHBondContact O-N 3.45Å; N447-K450 PolarHBondContact O-N 2.98Å; N447-K450 PolarHBondContact OD1-NZ 2.71Å; V448-K450 PolarHBondContact O-N 2.86Å; K450-S452 VanDerWaalsContact C-N 3.3Å; K450-S452 PolarHBondContact O-N 3.08Å; K450-N453 PolarHBondContact O-N 3.04Å
451T47.3Very low55Low93 Ų93114.9 Ų114.957%0.57159%0.592SS**Hα-helixtrans-62.3-38178.452.40000112N447 V448 N453 I454N447-T451 PolarHBondContact O-N 3Å; N447-T451 PolarHBondContact O-OG1 2.66Å; V448-T451 PolarHBondContact O-OG1 3.19Å; T451-N453 PolarHBondContact O-N 3.33Å; T451-I454 PolarHBondContact O-N 3.16Å; T451-I454 VanDerWaalsContact O-N 3.13Å
452S40.1Very low52.1Low85 Ų85117.9 Ų117.959%0.59462%0.616SS**THydrogen-bonded Turntrans-65-11.1172.952.30000115.2V448 G449 K450V448-S452 WeakPolarHBondContact O-CB 3.1Å; V448-S452 PolarHBondContact O-N 2.73Å; V448-S452 PolarHBondContact O-OG 3.1Å; G449-S452 PolarHBondContact O-OG 2.65Å; K450-S452 VanDerWaalsContact C-N 3.3Å; K450-S452 PolarHBondContact O-N 3.08Å
453N40.8Very low49.1Very low136 Ų136119.1 Ų119.173%0.72764%0.638SS**THydrogen-bonded Turntrans-101.41174.1-83-76.6000114G449 K450 T451G449-N453 PolarHBondContact O-ND2 2.99Å; K450-N453 PolarHBondContact O-N 3.04Å; T451-N453 PolarHBondContact O-N 3.33Å
454I46.1Very low46.2Very low130 Ų130120 Ų12067%0.66766%0.659SS**THydrogen-bonded Turntrans-102.5-24.5-177.2-69.8173000112.7T451 G456T451-I454 PolarHBondContact O-N 3.16Å; T451-I454 VanDerWaalsContact O-N 3.13Å; I454-G456 PolarHBondContact O-N 2.9Å
455F39.3Very low43.4Very low186 Ų186122 Ų12282%0.81668%0.683SS**  trans-101.659.6176.6-84.5-83.2000113.9L457F455-L457 VanDerWaalsContact C-N 3.3Å; F455-L457 PolarHBondContact O-N 2.98Å
456G32.6Very low40.6Very low80 Ų80123.7 Ų123.783%0.82570%0.696SS**  trans-79.162.9172.600000113.8I454I454-G456 PolarHBondContact O-N 2.9Å
457L32Very low39Very low151 Ų151123.5 Ų123.579%0.79170%0.704SS**  trans-102.9111174.5-159.275.7000112.4F455 R459F455-L457 VanDerWaalsContact C-N 3.3Å; F455-L457 PolarHBondContact O-N 2.98Å; L457-R459 PolarHBondContact O-N 3.05Å
458Q32.6Very low36.7Very low174 Ų174128.9 Ų128.981%0.81373%0.732SS**  trans-82.3109.5-175.5-175.5177.65.600111.5
459R28.3Very low35Very low231 Ų231130 Ų13087%0.87274%0.739SS**PPolyproline II helixtrans-103.7127.8165.2-89.4-171.7176.2174.51.2111.8L457L457-R459 PolarHBondContact O-N 3.05Å
460I29.9Very low34.2Very low141 Ų141139.5 Ų139.572%0.72377%0.765SS**PPolyproline II helixtrans-85.6136.4178.2-65.4160000108.9
461F27Very low33.2Very low204 Ų204140 Ų14090%0.89578%0.779SS**PPolyproline II helixtrans-99.1116.6164.7-80.2-82.5000110.3
462P30.6Very low32.2Very low117 Ų117139.3 Ų139.376%0.7678%0.782SS**PPolyproline II helixtrans-83.1133.6152.1-3.222.6000109
463A27Very low31.6Very low110 Ų110144.8 Ų144.891%0.90980%0.798SS**PPolyproline II helixtrans-98.7127.9169.200000109.7
464G26.7Very low31.1Very low68 Ų68143.7 Ų143.770%0.70180%0.801SS**  trans-159.4126.2-179.900000113.4
465S26.9Very low30.3Very low123 Ų123143.8 Ų143.886%0.8681%0.808SS**  trans4497.9161.956.80000119.8
466N25.1Very low29.7Very low159 Ų159139.7 Ų139.785%0.8580%0.802SS**  trans-102.1167.8135.4-106.7-21.3000107.7
467P46.2Very low29.6Very low105 Ų105142.3 Ų142.368%0.68280%0.802SS**  cis-133.3171.6-25.340.2-26000113
468L23.6Very low29.4Very low172 Ų172139.5 Ų139.590%0.90180%0.795SS**  trans-177.5167142.7-105.1164.4000112.4
469T27.8Very low29Very low122 Ų122139.5 Ų139.575%0.74880%0.797SS**  trans-138.6126.9-159.9-25.40000114.8
470R33.6Very low29.1Very low234 Ų234133.2 Ų133.288%0.88379%0.789SS**  trans61.3171.6166.6-87-176.8170.8-175.5-3.2116.6
471P34.3Very low29Very low120 Ų120137.2 Ų137.278%0.77980%0.795SS**  cis-106.4156.9-0.637.8-25.6000113.4
472A25.3Very low29.1Very low77 Ų77135.2 Ų135.264%0.63679%0.792SS**  88.1133.252.100000115.6
473H27.7Very low28.8Very low201 Ų201134.3 Ų134.393%0.93179%0.789SS**  trans-158.9152.5161.4-101.8-74.4000110.4
474S31.4Very low29Very low113 Ų113137 Ų13779%0.7979%0.787SS**  trans-162161.4175620000112.6
475T27.8Very low29.9Very low131 Ų131139.4 Ų139.480%0.80479%0.791SS**  trans-160.7120.1174.815.40000107.3
476S28.2Very low29.9Very low100 Ų100138.8 Ų138.870%0.69979%0.786SS**  76.414583.477.10000113.8
477V29.8Very low30.3Very low135 Ų135140.4 Ų140.482%0.81879%0.786SS**  cis-133.8178.59.1-121.60000108
478S27.2Very low29.4Very low92 Ų92141.4 Ų141.464%0.64380%0.795SS**  cis-148.4-167.610.3-134.20000108.1
479M24.5Very low29.5Very low174 Ų174136.4 Ų136.486%0.85779%0.785SS**  cis-116.5176.48.4-100-69.9-172.500112.2
480S30Very low29.8Very low99 Ų99136.3 Ų136.369%0.69279%0.79SS**  trans-76.6172-169.1-41.10000115.1
481R29.1Very low29.6Very low226 Ų226134.2 Ų134.285%0.85379%0.787SS**  cis-151.914925.3-57.3174.7177.8-169.4-1.6113.6
482L28.1Very low29.4Very low161 Ų161137.4 Ų137.484%0.84379%0.788SS**  trans38146.4133.9-59.9175.7000121.9
483S25.4Very low29.5Very low99 Ų99143.7 Ų143.769%0.69280%0.802SS**  cis-169.8146.49.341.80000117.1
484L30.3Very low29.4Very low166 Ų166137.8 Ų137.887%0.86980%0.795SS**  trans71.3156.7147.3-86.683000124.8
485P45.2Very low29.1Very low119 Ų119140 Ų14077%0.77380%0.797SS**  trans-141-176.6-161.645.8-27.4000118.7
486S26.6Very low29.1Very low110 Ų110143 Ų14377%0.76980%0.799SS**  trans-160130.5155.173.10000119.7
487K33.3Very low29.9Very low193 Ų193144.5 Ų144.584%0.83981%0.806SS**  trans58.1122.6138.3-64.9-177.9177.3177.50126.1
488S27.8Very low29.9Very low126 Ų126146.3 Ų146.388%0.88180%0.803SS**  trans57.2150.4138.658.50000123.2
489G26.8Very low29.9Very low67 Ų67148 Ų14869%0.69181%0.805SS**  cis158.4150.8-10.800000115.9
490S32.7Very low30Very low120 Ų120146 Ų14684%0.83980%0.797SS**  trans77.5159.8169.9-16.50000119.2
491K30Very low29.9Very low189 Ų189149.5 Ų149.582%0.82280%0.8SS**  cis-172.1152.1-31.2-111.3173.1-178.8167.90112.1
492K29.6Very low30Very low187 Ų187147.1 Ų147.181%0.81380%0.795SS**  trans69.6132.2161.5-69.3178.4178-179.20118.1
493K28.2Very low29.9Very low210 Ų210149.2 Ų149.291%0.91380%0.798SS**  66.2133.373.3-68.9-169.1176.6-1710115.2
494G25.6Very low30Very low77 Ų77148 Ų14879%0.79479%0.794SS**  cis163.9152.3-11.100000116.2
495L25.8Very low29.9Very low160 Ų160147.5 Ų147.584%0.83879%0.787SS**  trans49.8111156.8-69.6169.3000125
496K27.7Very low29.1Very low193 Ų193151.8 Ų151.884%0.83979%0.788SS**  trans61170.8134.9-71.7-173.5179.4-1790119.3
497P43.5Very low29.2Very low131 Ų131156.7 Ų156.785%0.85180%0.795SS**  cis-127.8-128.110.743-22.7000116.5
498K29.8Very low28.9Very low174 Ų174150.9 Ų150.976%0.75779%0.79SS**  trans-123.9177.3-161.4-59.1179164.8-168.70115.2
499D27.9Very low29.1Very low127 Ų127153.8 Ų153.868%0.67979%0.787SS**  trans77.3151.4148.9-60.7-34.7000116.3
500I27Very low29.2Very low133 Ų133158 Ų15868%0.68279%0.788SS**  cis-167.4162.2-6.9-112.6170.6000112
501F28Very low29Very low172 Ų172158.3 Ų158.375%0.75479%0.791SS**  trans81.6122.7154.5-87.5-35.4000127.8
502K30.6Very low28.9Very low176 Ų176154.9 Ų154.977%0.76579%0.791SS**  54.9127.4125.4-90.5177.4-179.9176.30125.3
503K26.2Very low28.7Very low205 Ų205150.7 Ų150.789%0.89179%0.791SS**  162.6162122.6-92.1-171.2175.1-177.90110.3
504A28.8Very low28.6Very low74 Ų74148.9 Ų148.961%0.61279%0.791SS**  cis-170.2159.5-23.300000112.1
505E27.5Very low28.7Very low154 Ų154148.5 Ų148.572%0.7279%0.786SS**  trans64.8159.5161.7-69-176.596.900118.6
506R29Very low29.3Very low210 Ų210147.2 Ų147.279%0.79279%0.788SS**  cis-148.6-175.87.1-137.1165.8-139-176.512.6113.5
507K28.6Very low29.3Very low212 Ų212142.8 Ų142.892%0.92279%0.787SS**  trans-69.3163.5-178.4-55.6171.9179.4177.90113.5
508G26.9Very low28.5Very low72 Ų72139.7 Ų139.774%0.74278%0.779SS**  cis154.7-178-5.600000113.9
509K31.2Very low28.3Very low187 Ų187139.7 Ų139.781%0.81378%0.782SS**  trans93.7108.7166.4-138.6178.8-167.1-78.60120.1
510E29.3Very low28.4Very low154 Ų154140.8 Ų140.872%0.7279%0.787SS**  trans63.3152.5140.2-75.4174142.400127.1
511S28.7Very low28.3Very low128 Ų128139 Ų13990%0.89579%0.786SS**  trans74.3165.8161.188.50000120.5
512S26.8Very low28Very low117 Ų117140.5 Ų140.582%0.81879%0.788SS**  trans-140.7146.5-152.654.70000112.7
513A26Very low27.7Very low99 Ų99138.5 Ų138.582%0.81879%0.786SS**  trans-152.5162.6159.800000111.5
514L26.8Very low27.7Very low172 Ų172135.6 Ų135.690%0.90178%0.779SS**  trans-76.5-179.9-177.5-61.294.1000112.7
515G27.1Very low27.4Very low68 Ų68139.8 Ų139.870%0.70179%0.788SS**  trans-71.3-152170.300000113.9
516P38.7Very low27.9Very low134 Ų134139.9 Ų139.987%0.8779%0.793SS**  -145.8-164.875.241.7-25000115.2
517A27.4Very low28.6Very low99 Ų99134.6 Ų134.682%0.81879%0.787SS**  trans-54.5169165.900000113.8
518G26.8Very low28.5Very low66 Ų66134.4 Ų134.468%0.6878%0.781SS**  cis151.7-176-3.600000112.4
519Q26Very low28.5Very low175 Ų175135.7 Ų135.782%0.81878%0.779SS**  trans45.9124.9166.4-75.2176.5-58.700121.4
520L28.9Very low28.5Very low150 Ų150133.6 Ų133.679%0.78577%0.772SS**  49.1125.8126.8-51170.9000118.1
521S24.6Very low28.4Very low96 Ų96133.1 Ų133.167%0.67177%0.77SS**  172.9171.558.3530000113.8
522Y22.7Very low28.3Very low202 Ų202131.3 Ų131.379%0.79276%0.757SS**  trans62.1126.8146.4-79.5-58.3000124
523N24.1Very low28.3Very low135 Ų135132.3 Ų132.372%0.72275%0.752SS**  trans71.7112.8135.7-68.3-23.6000122.3
524L27.1Very low28.3Very low143 Ų143137.6 Ų137.675%0.74976%0.757SS**  63.6105.9116.3-167.776.1000119.4
525M22.2Very low28.1Very low163 Ų163136.1 Ų136.180%0.80376%0.755SS**  168.5135.2122.2-89.1-56.6175.600111.9
526D36.4Very low28Very low155 Ų155136.7 Ų136.783%0.82976%0.761SS**  trans-75.7157.3158.7-73.5-50.9000110.2
527P43.6Very low27.3Very low100 Ų100135.6 Ų135.665%0.64976%0.756SS**  -160171.299.841.7-22.9000118.7
528Y27.3Very low27.2Very low208 Ų208135.4 Ų135.482%0.81675%0.749SS**  trans67.6132.5159.2-69.3-64.4000118.3
529S27.4Very low27.2Very low98 Ų98140.1 Ų140.169%0.68575%0.753SS**  cis-159.6152.534.5-86.90000115.2
530H30.9Very low27.2Very low144 Ų144141 Ų14167%0.66776%0.755SS**  trans25.4136.5141.4-59.8-92.6000120.9
531Q27.1Very low27Very low144 Ų144138.9 Ų138.967%0.67376%0.759SS**  cis-165.8-159.1-1-127.6178.9-109.500108.3
532S26.9Very low27.1Very low89 Ų89142.7 Ų142.762%0.62276%0.763SS**  cis-157.9136.413.7-149.40000115.3
533L26.5Very low27.2Very low138 Ų138141.7 Ų141.772%0.72376%0.763SS**  trans25.7118.7141.2-59.5171.5000122.1
534K25.2Very low27.3Very low211 Ų211141.8 Ų141.892%0.91776%0.764SS**  -157.4160.5102.1-111.1175.3-176178.40112.6
535T24.6Very low27.3Very low140 Ų140142.7 Ų142.786%0.85977%0.767SS**  trans-112.9154.2-168.545.40000112.9
536G23.3Very low27.5Very low80 Ų80141 Ų14183%0.82577%0.766SS**  trans-175.7148.8173.600000110.7
537S24.1Very low27.1Very low111 Ų111136.3 Ų136.378%0.77676%0.755SS**  trans-136.5167.7-168.869.10000114.2
538S26Very low26.3Very low95 Ų95138 Ų13866%0.66476%0.764SS**  trans104.1116.4147.3-580000120.8
539Q26.2Very low26.4Very low166 Ų166133.6 Ų133.678%0.77676%0.762SS**  63124.9126.8-57.4-169.617.300123
540K26.1Very low26.5Very low194 Ų194135.4 Ų135.484%0.84376%0.763SS**  30.6129.2129.7-58.6175.1177176.20120.1
541A24.7Very low26.5Very low105 Ų105134.9 Ų134.987%0.86877%0.765SS**  -167.8165.8116.500000113.4
542K27.3Very low26.7Very low175 Ų175134.2 Ų134.276%0.76176%0.762SS**  trans-89.1164174.9-47.4165.3177.3177.90110.9
543F23.9Very low26.9Very low182 Ų182134.3 Ų134.380%0.79876%0.763SS**  -177.2177.7102.1-110.5-78.4000114.1
544N26.9Very low27.2Very low137 Ų137135 Ų13573%0.73377%0.767SS**  trans-96.4158.1-165.7-64-6.8000115
545I27.7Very low27.5Very low161 Ų161128.6 Ų128.683%0.82676%0.761SS**  trans-160.9137.2151.6-117.6168.5000106.7
546T26.5Very low27.7Very low127 Ų127129.4 Ų129.478%0.77976%0.76SS**  cis82.9123.49.7-42.40000115
547G28Very low28.1Very low57 Ų57131 Ų13159%0.58875%0.754SS**  cis-167.7-144.30.300000112.2
548T26.6Very low28.4Very low137 Ų137135 Ų13584%0.8476%0.76SS**  trans84.3130.6-172.768.50000115.5
549C27.7Very low28.6Very low114 Ų114137.6 Ų137.677%0.7777%0.767SS**  cis90.9131.623.8-60.70000113.4
550L29.5Very low28.9Very low137 Ų137138.7 Ų138.772%0.71778%0.775SS**  cis-134.1162.4-0.6-78.9120.8000109.1E552L550-E552 WeakPolarHBondContact CD2-OE2 3.25Å
551N31.6Very low29.2Very low132 Ų132137.7 Ų137.771%0.70677%0.773SS**  63.1149.355.3-112.671.9000112.2
552E31.3Very low29.7Very low131 Ų131139.2 Ų139.261%0.61277%0.771SS**  cis-107.4-152.615.5-39.1-48.4-37.400112.6L550L550-E552 WeakPolarHBondContact CD2-OE2 3.25Å
553S31.2Very low29.8Very low91 Ų91138.6 Ų138.664%0.63678%0.776SS**  cis-161138.51.2-115.50000112.2
554D33.8Very low30Very low152 Ų152132 Ų13281%0.81376%0.759SS**  34.9142.9129.4-34.6-51.8000123.4
555G30.3Very low30.3Very low77 Ų77131.2 Ų131.279%0.79476%0.764SS**  cis-131.9-1392.900000112.5
556D29.1Very low30.4Very low156 Ų156132.4 Ų132.483%0.83477%0.766SS**  cis-159.6-160.2-1.9-157-29.4000109.3
557T31.7Very low30.6Very low115 Ų115133.5 Ų133.571%0.70677%0.767SS**  trans-123.8146.2-162.7520000117.3
558Q31.4Very low31.7Very low193 Ų193135.7 Ų135.790%0.90277%0.771SS**  -171.7136.3126.1-109.5-179.218.600113.1
559D30.1Very low31.9Very low151 Ų151137.1 Ų137.181%0.80777%0.773SS**  trans-119.2155.7176.9-68.7-65.2000111.9
560M31.1Very low32Very low189 Ų189135.8 Ų135.893%0.93177%0.77SS**  trans-151.2138.6150.5-83.3-154.670.800110.7
561E33.2Very low32Very low173 Ų173137.6 Ų137.681%0.80878%0.78SS**  trans-117.9-160.9-173.3-58.5-172.1113.600113.3
562V33.9Very low31.9Very low136 Ų136138.9 Ų138.982%0.82479%0.786SS**  trans83.8121.2162.7-171.90000114.8
563D30.6Very low31.8Very low162 Ų162141.5 Ų141.587%0.86680%0.8SS**  cis-161.2-169-11.7-143-2.5000107.8
564G28.8Very low31.9Very low43 Ų43140.7 Ų140.744%0.44380%0.799SS.*  cis161.9158.6-0.800000113.9
565S32.3Very low31.8Very low121 Ų121141.5 Ų141.585%0.84680%0.803SS**  trans66.2151.2164.483.90000117.6
566E30.7Very low31.7Very low186 Ų186141.7 Ų141.787%0.86981%0.805SS**  cis-137.6167.2-4.6-78.4-159.3141.300111.4
567N30.8Very low31.6Very low150 Ų150139.5 Ų139.580%0.80280%0.802SS**  trans-155.6132.9162-178.545.9000108.1
568P51.1Low31.7Very low103 Ų103139 Ų13967%0.66980%0.799SS**  -155.5154.8109.938.4-21.3000116.5
569L30.6Very low31.6Very low167 Ų167138.3 Ų138.387%0.87479%0.793SS**  -171.6160.3113.6-103.8168.9000111.7
570A29.2Very low31.5Very low86 Ų86140.6 Ų140.671%0.71180%0.796SS**  trans-147157.3-179.100000111.1
571L29.6Very low31.3Very low176 Ų176137 Ų13792%0.92179%0.785SS**  trans-146.6144.6154.8-144.183.7000111.7
572L29.8Very low31Very low159 Ų159138.2 Ų138.283%0.83279%0.787SS**  trans-90.9164.7174.4-69.8145.9000110.6
573M28.7Very low30.7Very low186 Ų186136.5 Ų136.592%0.91678%0.781SS**  -167.9161.1126.4-101.9-62.3-97.100110.4
574A32.3Very low30.5Very low73 Ų73136.3 Ų136.360%0.60378%0.779SS**  trans-144.1162.1-167.700000114.6
575N32.2Very low30.6Very low170 Ų170138.3 Ų138.391%0.90979%0.786SS**  trans64.3129160.1-63.8-23.8000119.9
576G27.6Very low30.4Very low81 Ų81142.1 Ų142.184%0.83579%0.787SS**  trans-165.1133.6164.700000111.6
577S28.9Very low30.2Very low110 Ų110138.1 Ų138.177%0.76978%0.78SS**  trans-155.5147.5-176.4175.60000111.9
578T31.9Very low30.1Very low105 Ų105142.1 Ų142.164%0.64478%0.784SS**  162.2157.5128.942.20000114.4
579K29.8Very low29Very low178 Ų178148.2 Ų148.277%0.77479%0.794SS**  trans72.6118.9165.5-59.8131.5-174.8170.40115.5
580K28.3Very low28.8Very low199 Ų199144.2 Ų144.287%0.86579%0.785SS**  67.8135.163.4-65.9-174.9174.8179.60111.7
581V27Very low28.7Very low114 Ų114149 Ų14969%0.69179%0.79SS**  -169.8136.269.8158.40000112.8
582K27.8Very low28.5Very low198 Ų198147.5 Ų147.586%0.86178%0.781SS**  trans54.5157.8158.3-65.6163.8-168.4175.30119.8
583S27.4Very low28.3Very low100 Ų100144.2 Ų144.270%0.69978%0.777SS**  cis135.4153.5-15.5-1740000112.1
584L26.6Very low28.1Very low157 Ų157144.6 Ų144.682%0.82277%0.774SS**  trans78.5137.8-178.5-49.6175000115.6
585S29.1Very low27.7Very low85 Ų85149.9 Ų149.959%0.59478%0.783SS**  cis126.9143.7-16.578.10000114.4
586K28.5Very low27.4Very low201 Ų201147.1 Ų147.187%0.87477%0.772SS**  trans84.3149.5178.3-53.8168.1-175.3173.60114.5
587S27.1Very low27.2Very low103 Ų103149.9 Ų149.972%0.7277%0.768SS**  cis141.9147.8-23176.80000110.8
588R29.5Very low27Very low234 Ų234151.4 Ų151.488%0.88377%0.767SS**  trans82.9160.1175.2-54.5-178.6-175.6-1752.4117.2
589R26.9Very low26.6Very low230 Ų230151 Ų15187%0.86878%0.775SS**  cis-172.1101.8-36.1-175.6-179.6-162.8-1666.9110.7
590A27.6Very low26.3Very low84 Ų84152.9 Ų152.969%0.69478%0.777SS**  trans57.3156.4141.500000123.8
591K26.7Very low26.2Very low187 Ų187150.2 Ų150.281%0.81377%0.771SS**  trans94.9128.6136.1-92.8-176.1169.4-167.10122
592I25.5Very low26.1Very low144 Ų144151.5 Ų151.574%0.73878%0.779SS**  trans100.9131.7132.4-77.1167.6000120.2
593A25.4Very low25.9Very low90 Ų90145.7 Ų145.774%0.74477%0.768SS**  trans73.2160.1155.300000120.5
594K24.6Very low25.8Very low194 Ų194149.6 Ų149.684%0.84378%0.775SS**  cis-178.5148.9-42.1-146.2178.2-175.3-179.10107.8
595K23.7Very low25.7Very low183 Ų183151 Ų15180%0.79678%0.778SS**  trans67.7124.6167.8-87.5-160.3166.9-161.20115.4
596V24.5Very low25.6Very low112 Ų112152.4 Ų152.468%0.67978%0.782SS**  80.3114.676.7164.50000112.4
597D23.4Very low25.4Very low140 Ų140150.3 Ų150.375%0.74978%0.777SS**  -168.5-179.5106.2-125.1-55000114.8
598N25.1Very low25.4Very low142 Ų142148.4 Ų148.476%0.75978%0.775SS**  trans-83.1158.2-155.9-83.6-87.6000121.2
599A24.4Very low25.2Very low97 Ų97143.1 Ų143.180%0.80276%0.764SS**  trans64153.8142.300000120.6
600R23.5Very low25.3Very low217 Ų217139.7 Ų139.782%0.81976%0.757SS**  178.9124.353.2172.6-176.7164.4151.80.9114.8
601L25.4Very low25.2Very low142 Ų142143.6 Ų143.674%0.74376%0.759SS**  trans56.9164.9144.2-58172.6000124.8
602V24.4Very low25.2Very low141 Ų141140.9 Ų140.986%0.85575%0.753SS**  trans86.8137.8157.2-169.40000117.4
603A24.2Very low25.6Very low77 Ų77140.7 Ų140.764%0.63675%0.753SS**  cis-169.9164-30.300000111.3
604E25.4Very low25.5Very low182 Ų182143.1 Ų143.185%0.8575%0.754SS**  trans20.9140.2152.2-60.8173.9110.600124.2
605Q25Very low25.8Very low187 Ų187139.1 Ų139.187%0.87475%0.75SS**  159.8165.4121.1-86.6-177.6-5.400113
606V26.5Very low26Very low114 Ų114138 Ų13869%0.69175%0.753SS**  cis-171.3143-49.689.80000110.8
607M24.5Very low26.6Very low156 Ų156139.4 Ų139.477%0.76876%0.756SS**  trans57.9165.3170.5-51.1-59.6-74.400117.4D609M607-D609 WeakPolarHBondContact CE-OD2 3.35Å
608G27.3Very low27Very low64 Ų64140.6 Ų140.666%0.6676%0.758SS**  cis167.1175.62.800000109.9
609D26.2Very low27.2Very low123 Ų123140.4 Ų140.466%0.65876%0.756SS**  cis-166.8-171-11.6-69.8-47.8000109.2M607M607-D609 WeakPolarHBondContact CE-OD2 3.35Å
610E27.2Very low27.3Very low157 Ų157143.8 Ų143.873%0.73476%0.755SS**  trans87.4102.9151.3-136.778.7171.300124.7
611F26.3Very low27.5Very low166 Ų166140.3 Ų140.373%0.72875%0.751SS**  trans18.9163.7134.3-49.3-58.5000124
612D27.6Very low27.6Very low130 Ų130139.5 Ų139.570%0.69575%0.748SS**  cis-175.3-172.4-11.1-99.30.9000108.9
613L32.5Very low27.8Very low141 Ų141139.5 Ų139.574%0.73874%0.738SS**  cis-163.7-171.30.9-126.4173.3000111.9
614D24.2Very low28Very low141 Ų141144.8 Ų144.875%0.75474%0.742SS**  trans68.6144.6157.9-68-14.6000122.6
615S29.5Very low28.1Very low109 Ų109143.7 Ų143.776%0.76274%0.741SS**  cis-170.3168.3-21.1-155.10000112.3
616D29.7Very low28.1Very low161 Ų161138.2 Ų138.286%0.86174%0.735SS**  trans-92-177.4-169.7-50.4-71.6000116.7
617D35.5Very low28.3Very low140 Ų140141.9 Ų141.975%0.74974%0.741SS**  cis-132.6-112.6-2.3-17734.8000113.4L619D617-L619 PolarHBondContact OD2-N 2.84Å
618E32.5Very low28.3Very low165 Ų165141.7 Ų141.777%0.77174%0.739SS**  cis-147.7120.210.7-141.2-158.913900115.2
619L29Very low28.4Very low138 Ų138146.8 Ų146.872%0.72374%0.743SS**  trans64.5166.6144.2-73.4-176.9000127.3D617D617-L619 PolarHBondContact OD2-N 2.84Å
620Q26.1Very low28.5Very low169 Ų169146 Ų14679%0.7975%0.753SS**  trans-161.4172.4-171.3-144.4179.7115.300109
621I29.2Very low28.5Very low144 Ų144143.8 Ų143.874%0.73876%0.755SS**  cis-150.3-164.913.3-21.2168.5000106.7
622D27Very low28.5Very low125 Ų125143.3 Ų143.367%0.66876%0.759SS**  cis-160.1-170.4-5.8-17622.3000107.6
623E28.2Very low28.4Very low141 Ų141143.8 Ų143.866%0.65976%0.76SS**  trans83.2148.8155.6-67.5-138.7112.400120.1
624R28.5Very low28.5Very low188 Ų188144.2 Ų144.271%0.70976%0.762SS**  cis-174.1165.2-34.9-135.7161.9178.8-1789.2111.9
625L27.2Very low28.5Very low158 Ų158149.4 Ų149.483%0.82777%0.771SS**  trans67.8146.6171.6-50.5159.1000114.2
626G25.4Very low28.5Very low72 Ų72148.9 Ų148.974%0.74277%0.767SS**  cis168179.1-1.200000109.1
627K30Very low28.4Very low192 Ų192151 Ų15184%0.83577%0.768SS**  cis-152.2-140.61.9-58.3-174.1-177.5177.40110.5
628E26.1Very low28.1Very low152 Ų152153.2 Ų153.271%0.7177%0.772SS**  trans-85.1175.8-176.9-58.8-169.413000114.5
629K29.1Very low28.1Very low171 Ų171151 Ų15174%0.74377%0.771SS**  cis-168146.81.7-127.5162-163.6149.80109.8
630A27.3Very low28.1Very low107 Ų107156.2 Ų156.288%0.88478%0.782SS**  trans-162.7161.1157.400000112.1
631S26.8Very low28.3Very low110 Ų110158 Ų15877%0.76979%0.787SS**  trans-145154-179.761.20000112.4
632L26.5Very low28.5Very low155 Ų155158.5 Ų158.581%0.81279%0.79SS**  trans174.8115.1140.7-95.6167.3000114.9
633I27Very low28.6Very low141 Ų141158.8 Ų158.872%0.72380%0.799SS**  trans32.5105.6139.5-53.2174.4000120.9
634I33.4Very low28.9Very low150 Ų150162.9 Ų162.977%0.76981%0.808SS**  28.2125.9126.7-51.2171.8000119.5
635R24.9Very low29.1Very low250 Ų250157.2 Ų157.294%0.94380%0.802SS**  trans-144.8119.1134.8-136.8175.6-168.7178.94.1112.5
636S29.4Very low29.6Very low97 Ų97157.6 Ų157.668%0.67880%0.797SS**  trans-83.2146.4174.748.70000111.9
637K28.2Very low30.1Very low205 Ų205158.9 Ų158.989%0.89179%0.792SS**  trans-118.1133.3161.2-75.7-1781771760108.3
638F28.5Very low30.7Very low188 Ų188152 Ų15283%0.82577%0.767SS**PPolyproline II helixtrans-71.5149.5176-80.9-102.6000110.8
639P31.9Very low31.4Very low117 Ų117150.6 Ų150.676%0.7678%0.775SS**PPolyproline II helixtrans-62.2148.6165.128.6-34.3000110.5
640R30.3Very low32.5Very low249 Ų249146.7 Ų146.794%0.9476%0.762SS**PPolyproline II helixtrans-67.7157.5170.8-70.8-178.7176.7172.4-1109.8
641K28.9Very low33.6Very low205 Ų205147.4 Ų147.489%0.89176%0.757SS**PPolyproline II helixtrans-79.9144.8-172.1-64.2174.5-177.8170.90111.1
642L34.2Very low34.5Very low155 Ų155148.5 Ų148.581%0.81276%0.755SS**PPolyproline II helixtrans-53.1149.8161.4-66.6165.1000110.7
643P29.6Very low36.1Very low131 Ų131147.1 Ų147.185%0.85174%0.739SS**PPolyproline II helixtrans-57.3142173.624.9-33.9000110.5
644R33.8Very low37.1Very low227 Ų227147 Ų14786%0.85774%0.744SS**  trans-116.9106-174.3-179.6-177.7175.6105.9-2.3109.6K646R644-K646 PolarHBondContact O-N 2.67Å
645A33.7Very low38.2Very low70 Ų70143.1 Ų143.158%0.57972%0.72SS**  trans-48.6137.1171.600000111.6F662A645-F662 HydrophobicContact CB-CD1 3.9Å; A645-F662 HydrophobicContact CB-CE1 4.25Å; A645-F662 HydrophobicContact CB-CG 4.44Å
646K36.3Very low39.3Very low165 Ų165138.6 Ų138.672%0.71771%0.709SS**  trans-115.1151.9170.7-68.7176.7-176.6165.80108.4R644R644-K646 PolarHBondContact O-N 2.67Å
647P36.3Very low39.6Very low100 Ų100140.3 Ų140.365%0.64972%0.718SS**  trans-59152.1168.5-21.533.8000111.8
648C41.9Very low40.4Very low46 Ų46134.1 Ų134.131%0.31171%0.713SS.*  trans-55.7144.1176.6-169.90000111.7D663C648-D663 PolarHBondContact SG-OD2 3.04Å
649S42.6Very low41.1Very low124 Ų124130.3 Ų130.387%0.86770%0.698SS**SBendtrans-96.1-5.9-173.2-63.90000115.1
650D51.9Low42Very low89 Ų89130.3 Ų130.348%0.47670%0.695SS.*  trans-116111.3175.4-173.1-12.6000110.9N652D650-N652 VanDerWaalsContact C-N 3.25Å; D650-N652 PolarHBondContact O-N 3.2Å; D650-N652 PolarHBondContact OD1-N 3.27Å
651P48.8Very low42.7Very low121 Ų121125.8 Ų125.879%0.78669%0.685SS**THydrogen-bonded Turntrans-76.6-1.8-179.332.4-35.8000114.6
652N46.9Very low43.3Very low134 Ų134121.8 Ų121.872%0.71767%0.667SS**THydrogen-bonded Turntrans-110.6-1.6-174.8-62.8-64.7000115D650 V654D650-N652 VanDerWaalsContact C-N 3.25Å; D650-N652 PolarHBondContact O-N 3.2Å; D650-N652 PolarHBondContact OD1-N 3.27Å; N652-V654 PolarHBondContact O-N 2.96Å
653R60.5Low43.5Very low126 Ų126118.5 Ų118.548%0.47565%0.651SS.*  trans-71.999.1174.5-179.4178.4156.7-176.2-8.8110.6R655 E659 D663R653-R655 HydrophobicContact CG-CG 4.1Å; R653-E659 IonicContact CZ-OE2 3.52Å; R653-E659 IonicContact NH2-OE1 3.29Å; R653-E659 IonicContact NH2-OE2 2.68Å; R653-E659 PolarHBondContact NH2-OE2 3.27Å; R653-D663 IonicContact NH1-OD1 3.72Å
654V47.3Very low43.9Very low137 Ų137119.6 Ų119.683%0.8365%0.648SS**  trans-61.2133.3165.8-176.10000109N652N652-V654 PolarHBondContact O-N 2.96Å
655R55.9Low43.8Very low69 Ų69117.1 Ų117.126%0.2665%0.646SS.*  trans-129.5148.7-179.2-70.8173.3152.3111.6-15.9109.6R653 E659 D663R653-R655 HydrophobicContact CG-CG 4.1Å; R655-E659 HydrophobicContact CB-CB 4.48Å; R655-E659 WeakPolarHBondContact CD-OE2 3.2Å; R655-E659 WeakPolarHBondContact CG-OE2 3.39Å; R655-E659 IonicContact NE-OE2 2.76Å; R655-E659 PolarHBondContact NE-OE2 3.44Å; R655-D663 IonicContact NH2-OD1 3.98Å; R655-D663 PolarHBondContact NH2-OD1 3.09Å; R655-D663 IonicContact NH2-OD2 3.94Å; R655-D663 PolarHBondContact NH2-OD2 2.68Å
656E47.6Very low43.8Very low155 Ų155121.3 Ų121.372%0.72465%0.654SS**  trans-70.2155.4178.2-71.7-62.4150.300112.2G658E656-G658 PolarHBondContact O-N 2.95Å
657P36.1Very low43.4Very low133 Ų133120.4 Ų120.486%0.86466%0.656SS**THydrogen-bonded Turntrans-65.687.1-177.9-21.534.5000113.7
658G46Very low43Very low75 Ų75125.4 Ų125.477%0.77366%0.664SS**THydrogen-bonded Turntrans162.9-18.5176.100000115.9E656E656-G658 PolarHBondContact O-N 2.95Å
659E43.2Very low42.4Very low109 Ų109128.4 Ų128.451%0.50968%0.681SS.*  trans-66145.1175.3-68.8-169.2-177.300112.1R653 R655R653-E659 IonicContact CZ-OE2 3.52Å; R653-E659 IonicContact NH2-OE1 3.29Å; R653-E659 IonicContact NH2-OE2 2.68Å; R653-E659 PolarHBondContact NH2-OE2 3.27Å; R655-E659 HydrophobicContact CB-CB 4.48Å; R655-E659 WeakPolarHBondContact CD-OE2 3.2Å; R655-E659 WeakPolarHBondContact CG-OE2 3.39Å; R655-E659 IonicContact NE-OE2 2.76Å; R655-E659 PolarHBondContact NE-OE2 3.44Å
660V50.3Low41.7Very low117 Ų117128.1 Ų128.171%0.70967%0.674SS**  trans-93147.2175.1-78.60000111.7F662V660-F662 PolarHBondContact O-N 2.94Å
661E45.6Very low40.6Very low154 Ų154131.3 Ų131.372%0.7269%0.691SS**SBendtrans-81.637.3-163.2-153.6-173.5157.400115.2
662F41.3Very low39.8Very low120 Ų120133.6 Ų133.653%0.52669%0.691SS.*  trans-141.7126.7175.9-58-73.9000110.9A645 V660A645-F662 HydrophobicContact CB-CD1 3.9Å; A645-F662 HydrophobicContact CB-CE1 4.25Å; A645-F662 HydrophobicContact CB-CG 4.44Å; V660-F662 PolarHBondContact O-N 2.94Å
663D37.2Very low39Very low87 Ų87134.1 Ų134.147%0.46569%0.694SS.*  trans-86.9135.9166.5-59.2-69.1000108.6C648 R653 R655C648-D663 PolarHBondContact SG-OD2 3.04Å; R653-D663 IonicContact NH1-OD1 3.72Å; R655-D663 IonicContact NH2-OD1 3.98Å; R655-D663 PolarHBondContact NH2-OD1 3.09Å; R655-D663 IonicContact NH2-OD2 3.94Å; R655-D663 PolarHBondContact NH2-OD2 2.68Å
664I38.2Very low37.5Very low154 Ų154137.5 Ų137.579%0.7972%0.718SS**  trans-109.3133.8174.4-65.4166.8000107.5
665E32.2Very low36.8Very low175 Ų175136.9 Ų136.982%0.81871%0.714SS**  trans-102.7117.8-178.8-160.1160.1-142.600107.8D667E665-D667 PolarHBondContact O-N 3.27Å
666E33.8Very low35.6Very low158 Ų158142.7 Ų142.774%0.73874%0.744SS**  trans-87.386.4-178.1-69.9-178.316400110.3Y668E666-Y668 VanDerWaalsContact C-N 3.26Å; E666-Y668 HydrophobicContact CB-CD2 4.4Å; E666-Y668 PolarHBondContact O-N 3.16Å
667D27.8Very low34.6Very low145 Ų145138.5 Ų138.578%0.77574%0.742SS**  trans-67.680.4171.6-90.5-28.5000111E665 T669E665-D667 PolarHBondContact O-N 3.27Å; D667-T669 PolarHBondContact O-N 2.99Å
668Y28Very low34.3Very low206 Ų206138.4 Ų138.481%0.80874%0.739SS**  trans-66.995.7163.1-91.8-88.2000109.8E666E666-Y668 VanDerWaalsContact C-N 3.26Å; E666-Y668 HydrophobicContact CB-CD2 4.4Å; E666-Y668 PolarHBondContact O-N 3.16Å
669T28.6Very low33.5Very low109 Ų109143.3 Ų143.367%0.66974%0.742SS**  trans-100.8111.8166-52.60000109D667D667-T669 PolarHBondContact O-N 2.99Å
670T29.7Very low32.8Very low118 Ų118143.4 Ų143.472%0.72476%0.755SS**  trans-84.5112.4171.147.90000109.8E672T670-E672 PolarHBondContact O-N 2.9Å
671D27.1Very low31.9Very low155 Ų155146.7 Ų146.783%0.82976%0.759SS**  trans-82.490.2170.7-77.3-38.3000109.9
672E32Very low31.1Very low169 Ų169147.6 Ų147.679%0.7977%0.768SS**  trans-116.5139.1164.5-68.1-97.9116.600109T670T670-E672 PolarHBondContact O-N 2.9Å
673D31.1Very low30.4Very low145 Ų145145.4 Ų145.478%0.77578%0.779SS**  trans53.1110.6170.4-69.1-23.3000121.5
674M28.9Very low30Very low197 Ų197149.7 Ų149.797%0.9780%0.802SS**  trans-93.896.5145.8-91.7-169.459.900110.2
675V32.3Very low29.5Very low124 Ų124146.2 Ų146.275%0.75280%0.804SS**  trans-130.5152.6162-170.30000109.8
676E30.4Very low29.4Very low192 Ų192144 Ų14490%0.89781%0.808SS**  trans-70.2152.4-161.3-53.3171.5111.100115.8
677G27.9Very low29.2Very low67 Ų67140 Ų14069%0.69181%0.809SS**  129.1120.5127.300000120.4
678V29.1Very low29.5Very low131 Ų131138.5 Ų138.579%0.79482%0.817SS**  trans64.7102.1135.5-170.30000120.2
679E29Very low29.6Very low178 Ų178132.6 Ų132.683%0.83282%0.818SS**  trans50.2132.4138-56.9-162.8116.300124.3
680S29.5Very low29.9Very low111 Ų111130.5 Ų130.578%0.77682%0.819SS**  119.4114.2125.877.90000120.6
681K31Very low30.5Very low186 Ų186131.9 Ų131.981%0.80982%0.82SS**  trans48.4133.1135.6-77.9177.4176.9169.70123.4
682L29.3Very low31Very low173 Ų173131.9 Ų131.991%0.90682%0.819SS**  trans74.9134.6140.8-71.6161.8000119.9
683G26.1Very low31.5Very low73 Ų73130.4 Ų130.475%0.75382%0.817SS**  trans143.2114.115100000116.1
684N27.9Very low32.2Very low178 Ų178130.7 Ų130.795%0.95282%0.818SS**  trans-82.6147.3161.9-68.910.3000109.8
685G27.6Very low32.7Very low80 Ų80129 Ų12983%0.82581%0.812SS**  trans-169.7140.8168.100000113.1
686S30.4Very low33Very low128 Ų128132 Ų13290%0.89582%0.815SS**  trans-109.1129.7-175-58.10000113.8
687G28.7Very low33.3Very low74 Ų74127.2 Ų127.276%0.76381%0.808SS**  92.6154.3121.600000121.4
688A34.2Very low33.7Very low114 Ų114129.3 Ų129.394%0.94281%0.812SS**  trans72.7159.8160.700000119.7
689G31.4Very low34.2Very low82 Ų82134.3 Ų134.385%0.84582%0.816SS**  trans106.588.4167.500000115.7
690G34.3Very low34.4Very low65 Ų65134.4 Ų134.467%0.6782%0.817SS**  trans-91.9142.5174.300000113.3L692G690-L692 PolarHBondContact O-N 3.27Å
691I43.3Very low34.6Very low148 Ų148135.7 Ų135.776%0.75982%0.819SS**G310 helixtrans-63.2-1.9-176.8-83.9169.8000115.2D693 L694I691-D693 VanDerWaalsContact C-N 3.25Å; I691-D693 PolarHBondContact O-N 2.78Å; I691-L694 PolarHBondContact O-N 2.82Å
692L37.6Very low34.5Very low154 Ų154130.6 Ų130.681%0.80682%0.82SS**G310 helixtrans-67-19-177-166.460.2000114.4G690G690-L692 PolarHBondContact O-N 3.27Å
693D42.3Very low34.4Very low139 Ų139126.1 Ų126.174%0.74382%0.815SS**G310 helixtrans-79-21-177.6-114.7-4.8000114.1I691 L695I691-D693 VanDerWaalsContact C-N 3.25Å; I691-D693 PolarHBondContact O-N 2.78Å; D693-L695 PolarHBondContact O-N 3.13Å
694L44.6Very low35.4Very low151 Ų151128 Ų12879%0.79182%0.815SS**THydrogen-bonded Turntrans-79.1-16.1-176.1-96.5161.1000114.6I691I691-L694 PolarHBondContact O-N 2.82Å
695L40.3Very low35.5Very low162 Ų162126.4 Ų126.485%0.84881%0.806SS**THydrogen-bonded Turntrans-99.24.6-178.4-74.2170.3000114.2D693D693-L695 PolarHBondContact O-N 3.13Å
696K37.4Very low35.4Very low187 Ų187134 Ų13481%0.81381%0.811SS**SBendtrans-104.8-2.8-179.1-140.9171.8-174.7177.70114.5
697A36.7Very low35.4Very low91 Ų91131.9 Ų131.975%0.75280%0.802SS**SBendtrans-108.928.4-168.500000115.1
698S36.2Very low35.6Very low110 Ų110132.9 Ų132.977%0.76980%0.803SS**  trans-144.153.6-179.9-1620000113.8
699R39.9Very low35.5Very low236 Ų236134.8 Ų134.889%0.89180%0.797SS**  trans-137.830.7173.5-77.9-164.5175.3-105.4-0115.1
700Q33.2Very low35.4Very low181 Ų181136 Ų13685%0.84679%0.788SS**  trans-153.1135.7162.2-102.897.525.800105.6
701V34.5Very low35.3Very low137 Ų137141.7 Ų141.783%0.8380%0.797SS**  cis-137.1151.54.5-74.20000108.5
702G27.7Very low34.9Very low80 Ų80138.9 Ų138.983%0.82580%0.795SS**  106130.690.400000111.7
703G28.7Very low35.3Very low78 Ų78137.5 Ų137.580%0.80480%0.796SS**  trans-113.7-162.1172.500000111.8
704P47Very low34.9Very low114 Ų114135.5 Ų135.574%0.7480%0.799SS**  cis-132.3-167.95.943.7-26.9000114.8
705D29.8Very low34.7Very low144 Ų144132.2 Ų132.277%0.7779%0.789SS**  trans53.1114156.3-56.3-19.7000122.3
706Y25.9Very low35Very low238 Ų238130 Ų13093%0.93378%0.783SS**  -160.8171.4119.8-133.1-100.3000111.9
707A30.7Very low35.8Very low84 Ų84126.1 Ų126.169%0.69478%0.78SS**  trans-131157.6-174.300000114.8
708A31.8Very low36.7Very low96 Ų96125.9 Ų125.979%0.79377%0.77SS**  trans77.4160.5165.900000119.9
709L31.6Very low37.3Very low154 Ų154128 Ų12881%0.80677%0.767SS**  trans89.294168.6-59179.7000120.5
710T29.4Very low38.2Very low107 Ų107124.6 Ų124.666%0.65676%0.761SS**  56.8132.7121.655.70000123.4
711E31.8Very low38.9Very low185 Ų185118.8 Ų118.886%0.86475%0.745SS**  39.3140.5127.6-61.7-177.5135.200120.5
712A34.9Very low39.8Very low88 Ų88116.5 Ų116.573%0.72773%0.727SS**  cis-169.1-154.6-0.900000105.7
713P46.3Very low40.8Very low125 Ų125118.5 Ų118.581%0.81272%0.715SS**  cis-129.5176.6-16.242.1-26000114.8
714A33.9Very low42Very low98 Ų98117.4 Ų117.481%0.8170%0.703SS**  trans-104.2163163.600000111.1
715S42.1Very low41.8Very low82 Ų82118.7 Ų118.757%0.57370%0.701SS**  trans-88.1153.9-175.756.80000113.5S717S715-S717 VanDerWaalsContact C-N 3.33Å; S715-S717 PolarHBondContact O-N 3.23Å
716P45.3Very low42.6Very low114 Ų114117.1 Ų117.174%0.7469%0.692SS**THydrogen-bonded Turntrans-67.9-25.1-164.1-23.335.1000115.9T718 Q719P716-T718 PolarHBondContact O-N 3.16Å; P716-Q719 PolarHBondContact O-N 3.36Å
717S55.3Low43.3Very low107 Ų107110.6 Ų110.675%0.74868%0.68SS**Hα-helixtrans-65.6-20.6-170.7-167.20000114.4S715S715-S717 VanDerWaalsContact C-N 3.33Å; S715-S717 PolarHBondContact O-N 3.23Å
718T54.9Low43.7Very low86 Ų86115 Ų11553%0.52869%0.689SS.*Hα-helixtrans-88.1-21.3-174.4-42.60000113.2P716 I722P716-T718 PolarHBondContact O-N 3.16Å; T718-I722 HydrophobicContact CG2-CD1 4.25Å; T718-I722 WeakPolarHBondContact O-CG1 3.42Å
719Q48.3Very low44.1Very low155 Ų155113.8 Ų113.872%0.72468%0.678SS**Hα-helixtrans-80.7-37.6-169.3-163.3166.5-1.900113P716 I722 Q723P716-Q719 PolarHBondContact O-N 3.36Å; Q719-I722 PolarHBondContact O-N 2.93Å; Q719-Q723 PolarHBondContact O-N 2.99Å; Q719-Q723 VanDerWaalsContact O-N 3.07Å
720E58.9Low44.1Very low163 Ų163113.6 Ų113.676%0.76268%0.678SS**Hα-helixtrans-68.8-36.6178.5-61.4-170140.900112.4I722 Q723 G724E720-I722 VanDerWaalsContact C-N 3.31Å; E720-I722 PolarHBondContact O-N 2.7Å; E720-Q723 PolarHBondContact O-N 2.8Å; E720-G724 PolarHBondContact O-N 2.9Å
721A48Very low44.2Very low60 Ų60116.2 Ų116.250%0.49669%0.688SS.*Hα-helixtrans-61.7-37.4175.400000112.6M725A721-M725 WeakPolarHBondContact O-CE 3.43Å
722I54.5Low44.1Very low89 Ų89116.5 Ų116.546%0.45669%0.689SS.*Hα-helixtrans-73.1-41.1176.7-66.2169.6000110.5T718 Q719 E720 G724 M725 L726T718-I722 HydrophobicContact CG2-CD1 4.25Å; T718-I722 WeakPolarHBondContact O-CG1 3.42Å; Q719-I722 PolarHBondContact O-N 2.93Å; E720-I722 VanDerWaalsContact C-N 3.31Å; E720-I722 PolarHBondContact O-N 2.7Å; I722-G724 VanDerWaalsContact C-N 3.32Å; I722-G724 PolarHBondContact O-N 2.75Å; I722-M725 PolarHBondContact O-N 2.68Å; I722-L726 HydrophobicContact CG2-CD1 3.78Å; I722-L726 HydrophobicContact CG2-CG 4.48Å; I722-L726 PolarHBondContact O-N 3.24Å
723Q48.6Very low43.7Very low121 Ų121117.4 Ų117.457%0.56569%0.69SS**Hα-helixtrans-64.6-34.2179.1-172.356.677.700112.8Q719 E720 C727Q719-Q723 PolarHBondContact O-N 2.99Å; Q719-Q723 VanDerWaalsContact O-N 3.07Å; E720-Q723 PolarHBondContact O-N 2.8Å; Q723-C727 PolarHBondContact O-SG 3.12Å
724G53.2Low43Very low55 Ų55116.9 Ų116.957%0.56769%0.689SS**Hα-helixtrans-65.7-37.8175.400000113.9E720 I722E720-G724 PolarHBondContact O-N 2.9Å; I722-G724 VanDerWaalsContact C-N 3.32Å; I722-G724 PolarHBondContact O-N 2.75Å
725M43.4Very low42.7Very low141 Ų141117 Ų11770%0.69568%0.684SS**Hα-helixtrans-79.2-28.3-178.1-69-171.3-72.900113.7A721 I722 C727A721-M725 WeakPolarHBondContact O-CE 3.43Å; I722-M725 PolarHBondContact O-N 2.68Å; M725-C727 PolarHBondContact O-N 3.17Å
726L45.3Very low42.1Very low112 Ų112118.1 Ų118.159%0.58669%0.692SS**Hα-helixtrans-77.9-16.6-177.1-71.6172.1000114.4I722 M728 A729I722-L726 HydrophobicContact CG2-CD1 3.78Å; I722-L726 HydrophobicContact CG2-CG 4.48Å; I722-L726 PolarHBondContact O-N 3.24Å; L726-M728 PolarHBondContact O-N 3.31Å; L726-A729 PolarHBondContact O-N 3.42Å
727C41Very low41.3Very low101 Ų101117.9 Ų117.968%0.68269%0.693SS**THydrogen-bonded Turntrans-71.3-5.3178.8-70.10000115Q723 M725Q723-C727 PolarHBondContact O-SG 3.12Å; M725-C727 PolarHBondContact O-N 3.17Å
728M39.2Very low39.9Very low176 Ų176117.5 Ų117.587%0.86770%0.696SS**THydrogen-bonded Turntrans-103.4-8.2177.9-71.3-68.9-71.500114.1L726L726-M728 PolarHBondContact O-N 3.31Å
729A39.9Very low38.6Very low70 Ų70118.1 Ų118.158%0.57971%0.71SS**  trans-110.174.8-175.400000111.3L726 L731L726-A729 PolarHBondContact O-N 3.42Å; A729-L731 VanDerWaalsContact C-N 3.34Å; A729-L731 PolarHBondContact O-N 3.38Å
730N32.9Very low37.6Very low150 Ų150115 Ų11580%0.80271%0.71SS**  trans-77.174.7-170-166.315.8000113.7
731L31.5Very low36.1Very low163 Ų163112.4 Ų112.485%0.85371%0.71SS**  trans-12491.6173.1-75.6175000111.1A729A729-L731 VanDerWaalsContact C-N 3.34Å; A729-L731 PolarHBondContact O-N 3.38Å
732Q29.6Very low35.1Very low190 Ų190116.1 Ų116.189%0.88872%0.722SS**  trans-83.9127.3165.7-74.7-172.8-14.400110.9
733S26Very low33.9Very low108 Ų108118.9 Ų118.976%0.75574%0.737SS**  trans-114.3130.8165.4-62.90000108.9
734S30.7Very low32.9Very low114 Ų114122 Ų12280%0.79775%0.752SS**  trans170.8139.3131.8-78.50000115.2
735S28.2Very low31.8Very low101 Ų101122.7 Ų122.771%0.70675%0.752SS**  trans50.3110.4137.9710000122.8
736S29.4Very low30.9Very low105 Ų105127.1 Ų127.173%0.73476%0.761SS**  67.4122.4121.567.80000123.7
737S29Very low30Very low108 Ų108132.6 Ų132.676%0.75577%0.774SS**  trans71.5103.6132.463.30000122.7
738A26.4Very low29.3Very low100 Ų100134.5 Ų134.583%0.82678%0.783SS**  88.3137.4117.100000122.7
739A26.2Very low28.6Very low99 Ų99129.8 Ų129.882%0.81878%0.779SS**  trans92.5129.2150.200000121.7
740A27.7Very low28Very low88 Ų88129.7 Ų129.773%0.72779%0.785SS**  trans65.7100.2144.300000122.4
741S27.6Very low27.8Very low109 Ų109132 Ų13276%0.76279%0.791SS**  67142.8117.6-54.70000123.7
742N27.4Very low27.7Very low139 Ų139131.2 Ų131.274%0.74379%0.788SS**  trans81.5102.9150.8-66.7-10.7000121.6
743L28.7Very low27.9Very low147 Ų147133.1 Ų133.177%0.7779%0.787SS**  62.8138.3116.1-78.1163.3000122.6
744Q27.7Very low28Very low186 Ų186133 Ų13387%0.86979%0.786SS**  trans70.4161.2159.1-68.3178.4-26.800118.1
745A29.7Very low28.3Very low69 Ų69133.7 Ų133.757%0.5779%0.791SS**  cis-172.6154.8-37.900000109.6
746W24.5Very low28.4Very low235 Ų235132.2 Ų132.289%0.8979%0.791SS**  trans64141.4176-62.2-49.2000115.7
747W25.9Very low28.5Very low226 Ų226132.6 Ų132.686%0.85679%0.794SS**  cis100.3140.124.4-77.246.3000114.6
748T27.4Very low28.8Very low142 Ų142132.6 Ų132.687%0.87179%0.794SS**  trans63.6149.1178.871.90000117.4
749G24.3Very low29.2Very low77 Ų77133 Ų13379%0.79479%0.79SS**  cis147137.6-18.700000115.9
750G26.3Very low29.6Very low68 Ų68133.7 Ų133.770%0.70179%0.79SS**  trans100.2111150.700000118.7
751Q28.6Very low29.7Very low198 Ų198132.9 Ų132.993%0.92579%0.789SS**  -178.1158129-102.916961.500111.2
752D31.3Very low29.8Very low146 Ų146135.9 Ų135.978%0.78180%0.796SS**  -172.2173.7-76.7-130.7-46.5000108.3
753R32.4Very low29.8Very low231 Ų231132.5 Ų132.587%0.87279%0.794SS**  trans89.3135.6168.6-54.4-176.7173.7-145.5-7.1117.2
754S28.9Very low29.8Very low106 Ų106132.3 Ų132.374%0.74180%0.799SS**  cis-1451468-56.20000114.7
755S37Very low29.8Very low128 Ų128129.7 Ų129.790%0.89580%0.796SS**  trans35.7140.6139.4-47.10000122.3
756G28.9Very low29.7Very low69 Ų69131.2 Ų131.271%0.71180%0.802SS**  cis-171.5-177.3300000109.6
757S33Very low29.8Very low113 Ų113127.5 Ų127.579%0.7980%0.8SS**  cis-163.1167.219.9-57.60000112.1
758S34.2Very low29.8Very low108 Ų108121.8 Ų121.876%0.75579%0.794SS**  trans67.3107.3155.5-55.20000118.8
759S34.8Very low30.5Very low108 Ų108120.4 Ų120.476%0.75579%0.788SS**  94.4137.263.466.80000114
760S34.7Very low30.7Very low115 Ų115123.1 Ų123.180%0.80479%0.788SS**  cis-176.5145-3.847.60000114.3
761G30.2Very low30.8Very low70 Ų70124.1 Ų124.172%0.72279%0.785SS**  trans76.8157.8143.800000119.3
762L30.2Very low30.8Very low173 Ų173121.5 Ų121.591%0.90677%0.773SS**  cis-142.5155.9-7.8-124.477.6000107.6
763G26.3Very low30.8Very low68 Ų68125.2 Ų125.270%0.70178%0.776SS**  84137.59500000112.8
764T30.2Very low30.6Very low142 Ų142120.6 Ų120.687%0.87177%0.773SS**  cis-147.6-173.522.153.20000112.9
765V27.2Very low31.2Very low132 Ų132121.6 Ų121.680%0.878%0.777SS**  trans-138.8168.7-171.9-74.30000113
766S28.1Very low30.7Very low100 Ų100119.3 Ų119.370%0.69977%0.774SS**  trans83.4148.3171.6-22.40000114.9
767N25Very low30.8Very low157 Ų157125.9 Ų125.984%0.8478%0.783SS**  cis-152.117029.5-117.1-37.5000114.8
768S27.7Very low30.6Very low107 Ų107131.9 Ų131.975%0.74879%0.788SS**  trans-84.7-164.5168.9-32.50000110.8
769P41.6Very low31Very low113 Ų113131.8 Ų131.873%0.73479%0.785SS**  cis-148.316924.245.6-24.4000120
770V27.4Very low30.8Very low133 Ų133133.8 Ų133.881%0.80679%0.785SS**  trans33.8124.3134.1-178.70000120.3
771S28.7Very low30.4Very low90 Ų90137.9 Ų137.963%0.62979%0.789SS**  175137.299.3-146.60000117.9
772Q30Very low30.3Very low142 Ų142145.8 Ų145.866%0.66480%0.797SS**  trans69.7136.4136.4-91.3179.262.500126.2
773R29.3Very low31.2Very low225 Ų225143.1 Ų143.185%0.84979%0.79SS**  trans98.4140.1144.3-73.1166.4-162.6-139.50.9121.3
774T28.3Very low31.3Very low133 Ų133144.6 Ų144.682%0.81680%0.796SS**  trans-103.9-171.3174.758.50000109.1
775P41.7Very low30.9Very low127 Ų127146 Ų14683%0.82579%0.786SS**  cis-129.6-174.8-11.741-25.2000113.2
776G26.7Very low30.7Very low80 Ų80148.5 Ų148.583%0.82578%0.781SS**  trans170.5142.4163.200000116.7
777K30.6Very low30.5Very low208 Ų208152.2 Ų152.290%0.90478%0.78SS**  trans-104.5152.1179.3-64170.3-178.3171.50111.7
778R30.4Very low30.5Very low239 Ų239149.1 Ų149.190%0.90276%0.763SS**  trans-13.2166.9154.6-35.8177.5-179.6169.4-2.4117.6
779P42.8Very low30.2Very low105 Ų105151.4 Ų151.468%0.68276%0.762SS**  cis-157-176.523.544.9-22.7000120
780I29.9Very low29.6Very low150 Ų150151.1 Ų151.177%0.76976%0.763SS**  trans58124.8136.6-76.1163.8000119.4
781K27.1Very low29.8Very low202 Ų202152.8 Ų152.888%0.87876%0.762SS**  -153.4151.375.7-81.5-171.4179175.40117.2
782R26.3Very low29.8Very low236 Ų236156.2 Ų156.289%0.89177%0.768SS**  trans-108.6-169.4161.9-102-175.9178.2179.2-1.1107.9
783P50.2Low29.8Very low117 Ų117157.5 Ų157.576%0.7677%0.774SS**  cis-134.5-167.1-48.540.8-24000111.6
784A27.9Very low30Very low99 Ų99154.1 Ų154.182%0.81877%0.768SS**  trans151.9160.4143.900000112.8
785Y21.6Very low29.9Very low172 Ų172154.3 Ų154.368%0.67576%0.764SS**  cis-174.2111.7-29.2178.5-88.6000110.2
786W23.5Very low29.3Very low183 Ų183152.6 Ų152.669%0.69376%0.76SS**  trans69.2164.9154.3-69.845.4000119.1
787R23.7Very low29.4Very low179 Ų179153.1 Ų153.168%0.67575%0.752SS**  cis-179.7151-27.3-173.4-151.3-125.3-83.1-2.7110.4
788N25.2Very low29.7Very low91 Ų91150.2 Ų150.249%0.48775%0.745SS.*  trans84.2138.6153.9-97.238.3000121.5
789E22Very low29.8Very low156 Ų156145.1 Ų145.173%0.72974%0.736SS**  trans61.5122.6149.2-70.4142.2175.500118.9
790S28.5Very low29.7Very low107 Ų107147.1 Ų147.175%0.74874%0.736SS**  72.6137.574.1-51.40000112
791E30.7Very low29.8Very low168 Ų168147.1 Ų147.179%0.78573%0.733SS**  cis-152.8171.231.6-65.2166.7143.500112.8
792E29.2Very low30.2Very low162 Ų162143.8 Ų143.876%0.75773%0.725SS**  trans61.1132.6148.6-72.3165.7-171.900126
793E30.8Very low30.7Very low168 Ų168137.1 Ų137.179%0.78571%0.714SS**  trans50.8155.2135.5-59.4-174.7165.200122.6
794E32.4Very low29.9Very low155 Ų155139.6 Ų139.672%0.72472%0.72SS**  cis-156.9159.6-1.2-135.2-158.6139.900113.3
795N26.3Very low30.1Very low136 Ų136138.2 Ų138.273%0.72772%0.715SS**  trans19145.5151.9-80.3-44.7000127.6
796A30.4Very low30.8Very low91 Ų91134.8 Ų134.875%0.75272%0.722SS**  trans70.7160.7141.900000121.2
797S28.9Very low31.1Very low92 Ų92131.1 Ų131.164%0.64372%0.724SS**  cis-178.2167-27.159.30000110.9
798L36Very low31.4Very low147 Ų147131.1 Ų131.177%0.7773%0.729SS**  trans71.8149.9165.6-53.9160.5000116
799D33.4Very low31.9Very low132 Ų132133.5 Ų133.571%0.70674%0.735SS**  cis-156.3-172.6-13.5-122.8-8000112.5
800E39.3Very low32.3Very low146 Ų146131.9 Ų131.968%0.68273%0.731SS**  trans-34.8172.7177.6-41.6-170.281.500119.4
801Q32.8Very low32.6Very low150 Ų150130.8 Ų130.870%0.70173%0.728SS**  cis-171.2174.728.1-150150.347.300114.9
802D36Very low32.7Very low133 Ų133130.9 Ų130.971%0.71173%0.729SS**  trans109.8138.8135.3-143.7-9.8000122.7
803S36.1Very low33.2Very low96 Ų96131.8 Ų131.867%0.67173%0.727SS**  trans72.8151.8151-75.20000123.3
804L34.1Very low33.2Very low169 Ų169130.3 Ų130.389%0.88572%0.723SS**  cis179.8140.4-43.4-112.6171.3000110.7
805G31.8Very low33.5Very low69 Ų69133.1 Ų133.171%0.71173%0.728SS**  trans145.9115.2155.100000120.9
806A34.9Very low34Very low100 Ų100131.8 Ų131.883%0.82673%0.727SS**  trans47.2140.6137.800000122.3
807C30.6Very low34.2Very low106 Ų106132 Ų13272%0.71672%0.723SS**  cis-168.7157.43-121.20000113.7
808F30.5Very low34.7Very low179 Ų179134.5 Ų134.579%0.78573%0.728SS**  trans69.6146.2162.4-76.1-137.8000117.3
809K34.9Very low34.5Very low141 Ų141135.1 Ų135.161%0.61373%0.727SS**  cis-175168-16.4-96.8-148.7163.3-70.50106.5
810D31.1Very low34.3Very low123 Ų123133.6 Ų133.666%0.65873%0.727SS**  cis-171.3152.9-19.9-104.225.8000104.6
811A34.1Very low34.2Very low83 Ų83133.8 Ų133.869%0.68673%0.733SS**  cis-132.9-115.8-16.800000107.8
812E34Very low34.4Very low171 Ų171135 Ų13580%0.79974%0.739SS**  cis-155153.2-7.8-81.3-151.2117.200106.6
813Y38.8Very low34.3Very low181 Ų181136.2 Ų136.271%0.7175%0.745SS**  cis-151.9136.3-17.3-138.5-108.8000110.2
814I31.6Very low34.2Very low136 Ų136138.3 Ų138.370%0.69775%0.749SS**  trans55.3126.3159.6-69.2178.7000121.5P816I814-P816 HydrophobicContact CG2-CG 4.13Å
815Y37.5Very low35.3Very low215 Ų215135.3 Ų135.384%0.84374%0.739SS**  trans-122.7140.3149.4-141.8-81.1000107.6
816P37.5Very low35.2Very low108 Ų108135.9 Ų135.970%0.70174%0.737SS**  trans-102.5137.9163.5-5.425.8000112I814I814-P816 HydrophobicContact CG2-CG 4.13Å
817S33.8Very low35.1Very low96 Ų96137.6 Ų137.667%0.67173%0.732SS**  trans-119.5-162.1176.3-62.50000110.6
818L40Very low34.9Very low143 Ų143141.3 Ų141.375%0.74974%0.736SS**  trans84.6142.3165.1-44.3-174.3000114.7
819E31.2Very low34.9Very low160 Ų160138.8 Ų138.875%0.74874%0.741SS**  cis-164.6-177.80.1-126.4157.6-162.400113.9
820S30Very low34.8Very low101 Ų101143.2 Ų143.271%0.70675%0.753SS**  trans74.195.6153.466.40000122.4
821D38Very low35.4Very low150 Ų150142.1 Ų142.180%0.80275%0.753SS**  63.1124.598.8-60.81.8000125.4
822E36.4Very low35.3Very low176 Ų176147.8 Ų147.882%0.82276%0.762SS**  trans80.4154.5130.8-63.3-9777.100124.3
823D33.6Very low35.2Very low157 Ų157149.1 Ų149.184%0.8477%0.765SS**  trans79.5132.7164.2-85.9-31.2000124.9
824D34.9Very low35.1Very low141 Ų141149.9 Ų149.975%0.75477%0.772SS**  trans-122.5177.3166.5-159.438000105.5
825P56Low35.3Very low105 Ų105153.4 Ų153.468%0.68278%0.782SS**  cis-143.3175.37.946.6-28.1000119
826A30.8Very low35Very low82 Ų82150 Ų15068%0.67878%0.779SS**  trans88.2160.9139.400000123.3
827L31Very low34.7Very low136 Ų136150 Ų15071%0.71278%0.782SS**  trans82.994.5162.4-54.7-173.6000121.5
828K27.8Very low35Very low184 Ų184153 Ų15380%0.879%0.79SS**  46.4114.6124.8-57.1166.1-171.5161.60119
829S30.7Very low34.8Very low126 Ų126153.8 Ų153.888%0.88180%0.795SS**  167.9165.7105.756.10000116.1
830R32.8Very low35.3Very low234 Ų234149.9 Ų149.988%0.88379%0.79SS**  trans-94.5169165.1-68.6169.7135.3-170.4-1.6108.3
831P42.1Very low35.8Very low100 Ų100151.9 Ų151.965%0.64980%0.801SS**  cis-155.5167.627.143.6-22.3000120.5
832K32.1Very low35.6Very low201 Ų201154.3 Ų154.387%0.87480%0.799SS**  trans67.2164.6161.8-60.3154.8-178.5173.80113.6
833K32.9Very low35.6Very low199 Ų199150.4 Ų150.487%0.86579%0.791SS**  cis-160.112326.2-172.6-176.9-178.8-175.20113
834K35.7Very low35.8Very low197 Ų197148.4 Ų148.486%0.85779%0.787SS**  trans15.5118.4151.6-173.2-172.3-177.6-174.50119.5
835K36Very low36Very low210 Ų210151.6 Ų151.691%0.91379%0.794SS**  trans-135.9160.5148.2-163.5174.5178.1-172.60110.3
836N32Very low35.2Very low145 Ų145150 Ų15078%0.77579%0.789SS**  trans-110132.3-176.8-133.259.1000109.9
837S31.6Very low35.8Very low108 Ų108157.9 Ų157.976%0.75580%0.801SS**  trans-165.6149.3142.156.60000108.9
838D38.7Very low36.1Very low159 Ų159157.8 Ų157.885%0.8581%0.806SS**  trans-69.4141.6151.7-65.1-76.1000107.8
839D35.9Very low36.5Very low158 Ų158154.9 Ų154.985%0.84580%0.804SS**  trans-159.3149.6146.9-133.6-33.9000110.9
840A42.7Very low37.1Very low79 Ų79154.7 Ų154.765%0.65380%0.799SS**  trans-131.6111.7-176.800000109.9W842A840-W842 PolarHBondContact O-N 2.66Å; A840-W842 VanDerWaalsContact O-N 3.15Å
841P41Very low37.2Very low142 Ų142150.1 Ų150.192%0.92280%0.798SS**PPolyproline II helixtrans-61.9117.5-176.2-25.235.1000112.8
842W33.4Very low37.2Very low202 Ų202152.9 Ų152.977%0.76581%0.806SS**PPolyproline II helixtrans-91.5136.7-179.9171.3-94.4000112.1A840 A846A840-W842 PolarHBondContact O-N 2.66Å; A840-W842 VanDerWaalsContact O-N 3.15Å; W842-A846 HydrophobicContact CZ2-CB 4.18Å
843S36.5Very low37.8Very low94 Ų94149.1 Ų149.166%0.65780%0.802SS**PPolyproline II helixtrans-84122177.457.70000112.2K845S843-K845 PolarHBondContact O-N 2.91Å
844P37.9Very low38.1Very low115 Ų115149.5 Ų149.575%0.74780%0.804SS**SBendtrans-86.198.8-16932.6-35.4000113.9
845K39.3Very low38.5Very low208 Ų208149.2 Ų149.290%0.90481%0.806SS**  trans-158.416.2157.8-118.1161.8-170.7175.60118.1S843S843-K845 PolarHBondContact O-N 2.91Å
846A38.9Very low38.7Very low70 Ų70147.2 Ų147.258%0.57981%0.805SS**  trans-92117.2172.700000111.5W842W842-A846 HydrophobicContact CZ2-CB 4.18Å
847R43.6Very low39.2Very low248 Ų248151.4 Ų151.494%0.93681%0.81SS**  trans-84.6131.4168.5-66.4-173.5-177.3-167.71.2109.4
848V36.3Very low39.9Very low135 Ų135152.1 Ų152.182%0.81881%0.812SS**  trans-104.1137176.4179.90000109.3
849T37.2Very low40.2Very low123 Ų123150.3 Ų150.376%0.75581%0.806SS**  trans-119.3136.1171-45.70000108.4
850P42.4Very low40.5Very low121 Ų121154 Ų15479%0.78681%0.809SS**PPolyproline II helixtrans-66.8141-167.7-23.335000114.6
851T34.6Very low40.7Very low138 Ų138158.3 Ų158.385%0.84782%0.815SS**PPolyproline II helixtrans-78.6127.6173.841.90000112.3
852L43.2Very low41.6Very low158 Ų158155.2 Ų155.283%0.82781%0.809SS**PPolyproline II helixtrans-91.1154.5161.1-72173.4000111.2K854L852-K854 PolarHBondContact O-N 3.22Å
853P44.5Very low42.6Very low122 Ų122152 Ų15279%0.79281%0.812SS**PPolyproline II helixtrans-67.1131.9-178.2-17.831.8000112.1
854K38.8Very low43.3Very low208 Ų208156 Ų15690%0.90481%0.812SS**PPolyproline II helixtrans-83.7127.6167.4-75.3-176.7176.3176.90109.7L852L852-K854 PolarHBondContact O-N 3.22Å
855Q43.5Very low44.1Very low191 Ų191154.4 Ų154.489%0.89380%0.8SS**PPolyproline II helixtrans-74.1148.5165.8-67.7177.2-24.200110.1
856D41.5Very low45Very low168 Ų168147.8 Ų147.890%0.89878%0.784SS**PPolyproline II helixtrans-66.7145.2175.8-82.8-53.1000112.2
857R41.3Very low46.2Very low233 Ų233148.3 Ų148.388%0.87978%0.784SS**PPolyproline II helixtrans-97.9139.7174.9-120.2-179-174.7178.92.6109.8V859R857-V859 PolarHBondContact O-N 3.14Å
858P46.7Very low47.2Very low123 Ų123141.6 Ų141.680%0.79977%0.765SS**PPolyproline II helixtrans-55.2139.6176.3-26.835.2000112.7R860P858-R860 PolarHBondContact O-N 2.97Å
859V45.9Very low48.7Very low120 Ų120139.4 Ų139.473%0.72775%0.747SS**PPolyproline II helixtrans-67.6128.9177.5177.50000109.5R857 E861R857-V859 PolarHBondContact O-N 3.14Å; V859-E861 PolarHBondContact O-N 3.18Å
860R41.7Very low50.5Low237 Ų237138.1 Ų138.189%0.89474%0.738SS**  trans-86.4101.1174.2-154.8175.4-161.6159.24.8109P858P858-R860 PolarHBondContact O-N 2.97Å
861E47.2Very low52.2Low169 Ų169134.3 Ų134.379%0.7972%0.721SS**  trans-67.9154.9173.4-59.4-165.7124.500111V859V859-E861 PolarHBondContact O-N 3.18Å
862G59.6Low54.2Low77 Ų77133.3 Ų133.379%0.79471%0.71SS**SBendtrans115.4-2.7178.400000117.2
863T53.3Low55.6Low133 Ų133128.8 Ų128.882%0.81670%0.695SS**  trans-135.356.4177.5-36.50000113.2
864R51.2Low57.2Low178 Ų178125.3 Ų125.367%0.67268%0.677SS**  trans-107.7119.8169.3-65.1-173.4-176.4-150.614.1110.2E869R864-E869 WeakPolarHBondContact CD-OE1 3.31Å; R864-E869 IonicContact CZ-OE1 3.21Å; R864-E869 IonicContact NE-OE1 3.14Å; R864-E869 IonicContact NH1-OE1 2.74Å; R864-E869 PolarHBondContact NH1-OE1 3.47Å
865V55.8Low58.8Low82 Ų82117.8 Ų117.850%0.49765%0.654SS.*  trans-97.4117.9173.9-1690000108.4S867 I868V865-S867 WeakPolarHBondContact CG1-OG 3.41Å; V865-S867 PolarHBondContact O-N 3.38Å; V865-I868 HydrophobicContact CB-CD1 4.09Å; V865-I868 HydrophobicContact CB-CG1 4.28Å; V865-I868 HydrophobicContact CG2-CD1 4.43Å; V865-I868 WeakPolarHBondContact O-CB 3.31Å; V865-I868 PolarHBondContact O-N 3.06Å
866A59Low60.6Low69 Ų69111.5 Ų111.557%0.5763%0.634SS**Hα-helixtrans-58.1-24-171.400000114.6I868 T870A866-I868 VanDerWaalsContact C-N 3.31Å; A866-I868 PolarHBondContact O-N 3.29Å; A866-T870 WeakPolarHBondContact O-CB 3.3Å; A866-T870 PolarHBondContact O-N 3.18Å; A866-T870 PolarHBondContact O-OG1 3.01Å
867S62.6Low62.5Low82 Ų82105.8 Ų105.857%0.57361%0.61SS**Hα-helixtrans-64.1-32.717356.70000113.1V865 G871V865-S867 WeakPolarHBondContact CG1-OG 3.41Å; V865-S867 PolarHBondContact O-N 3.38Å; S867-G871 PolarHBondContact O-N 2.94Å
868I64.6Low64.6Low106 Ų106102 Ų10254%0.54460%0.6SS.*Hα-helixtrans-73.8-44.6179.4-59176.3000110.1V865 A866 T870 G871 L872V865-I868 HydrophobicContact CB-CD1 4.09Å; V865-I868 HydrophobicContact CB-CG1 4.28Å; V865-I868 HydrophobicContact CG2-CD1 4.43Å; V865-I868 WeakPolarHBondContact O-CB 3.31Å; V865-I868 PolarHBondContact O-N 3.06Å; A866-I868 VanDerWaalsContact C-N 3.31Å; A866-I868 PolarHBondContact O-N 3.29Å; I868-T870 VanDerWaalsContact C-N 3.35Å; I868-G871 PolarHBondContact O-N 3.1Å; I868-L872 HydrophobicContact CG2-CD1 4.21Å; I868-L872 PolarHBondContact O-N 3.14Å
869E68.9Low66.1Low90 Ų90101.2 Ų101.242%0.42159%0.589SS.*Hα-helixtrans-64.4-39.8174.5-68.1-173.914000111.5R864 G871 L872 A873R864-E869 WeakPolarHBondContact CD-OE1 3.31Å; R864-E869 IonicContact CZ-OE1 3.21Å; R864-E869 IonicContact NE-OE1 3.14Å; R864-E869 IonicContact NH1-OE1 2.74Å; R864-E869 PolarHBondContact NH1-OE1 3.47Å; E869-G871 VanDerWaalsContact C-N 3.34Å; E869-G871 PolarHBondContact O-N 3.28Å; E869-L872 PolarHBondContact O-N 2.97Å; E869-A873 WeakPolarHBondContact O-CB 3.29Å; E869-A873 PolarHBondContact O-N 3.28Å
870T74.8Confident67.7Low95 Ų9598 Ų9858%0.58358%0.575SS**Hα-helixtrans-61.5-41.2173.3-56.10000111.7A866 I868 A874A866-T870 WeakPolarHBondContact O-CB 3.3Å; A866-T870 PolarHBondContact O-N 3.18Å; A866-T870 PolarHBondContact O-OG1 3.01Å; I868-T870 VanDerWaalsContact C-N 3.35Å; T870-A874 WeakPolarHBondContact O-CB 3.31Å; T870-A874 PolarHBondContact O-N 3.27Å
871G77.6Confident69.4Low41 Ų4192.4 Ų92.442%0.42356%0.559SS.*Hα-helixtrans-64.3-44.8175.400000113.2S867 I868 E869 A874 A875S867-G871 PolarHBondContact O-N 2.94Å; I868-G871 PolarHBondContact O-N 3.1Å; E869-G871 VanDerWaalsContact C-N 3.34Å; E869-G871 PolarHBondContact O-N 3.28Å; G871-A874 PolarHBondContact O-N 3.39Å; G871-A875 WeakPolarHBondContact O-CB 3.17Å; G871-A875 PolarHBondContact O-N 2.84Å
872L76.1Confident70.8Confident118 Ų11889.2 Ų89.262%0.61854%0.544SS*.Hα-helixtrans-64.7-44176.3-87160.8000112.1I868 E869 A874 A875 A876I868-L872 HydrophobicContact CG2-CD1 4.21Å; I868-L872 PolarHBondContact O-N 3.14Å; E869-L872 PolarHBondContact O-N 2.97Å; L872-A874 VanDerWaalsContact C-N 3.34Å; L872-A874 PolarHBondContact O-N 3.27Å; L872-A875 PolarHBondContact O-N 3.08Å; L872-A876 WeakPolarHBondContact O-CB 3.46Å; L872-A876 PolarHBondContact O-N 2.78Å
873A73.8Confident71.5Confident62 Ų6290.4 Ų90.451%0.51253%0.529SS..Hα-helixtrans-61.4-42.117500000111.8E869 A875 A876 A877E869-A873 WeakPolarHBondContact O-CB 3.29Å; E869-A873 PolarHBondContact O-N 3.28Å; A873-A875 PolarHBondContact O-N 2.92Å; A873-A876 PolarHBondContact O-N 3.44Å; A873-A877 WeakPolarHBondContact O-CB 3.02Å; A873-A877 PolarHBondContact O-N 3.25Å
874A77.6Confident72.4Confident49 Ų4989.4 Ų89.441%0.40552%0.518SS..Hα-helixtrans-66.3-34.2175.500000113T870 G871 L872 K878T870-A874 WeakPolarHBondContact O-CB 3.31Å; T870-A874 PolarHBondContact O-N 3.27Å; G871-A874 PolarHBondContact O-N 3.39Å; L872-A874 VanDerWaalsContact C-N 3.34Å; L872-A874 PolarHBondContact O-N 3.27Å; A874-K878 WeakPolarHBondContact O-CG 3.26Å; A874-K878 PolarHBondContact O-N 3.05Å
875A72.8Confident73.2Confident51 Ų5186.3 Ų86.342%0.42151%0.511SS..Hα-helixtrans-69.1-45.5173.600000111.9G871 L872 A873 A877 K878 L879G871-A875 WeakPolarHBondContact O-CB 3.17Å; G871-A875 PolarHBondContact O-N 2.84Å; L872-A875 PolarHBondContact O-N 3.08Å; A873-A875 PolarHBondContact O-N 2.92Å; A875-A877 PolarHBondContact O-N 3.12Å; A875-K878 PolarHBondContact O-N 2.75Å; A875-L879 PolarHBondContact O-N 2.71Å
876A80.6Confident73.8Confident58 Ų5886.4 Ų86.448%0.47951%0.505SS..Hα-helixtrans-61-43.417600000111.9L872 A873 K878 L879 A880L872-A876 WeakPolarHBondContact O-CB 3.46Å; L872-A876 PolarHBondContact O-N 2.78Å; A873-A876 PolarHBondContact O-N 3.44Å; A876-K878 VanDerWaalsContact C-N 3.35Å; A876-K878 PolarHBondContact O-N 2.79Å; A876-L879 PolarHBondContact O-N 3Å; A876-A880 PolarHBondContact O-N 2.9Å
877A82.4Confident73.9Confident48 Ų4885.3 Ų85.340%0.39750%0.496SS..Hα-helixtrans-61.3-39.7175.600000112.6A873 A875 A880 Q881A873-A877 WeakPolarHBondContact O-CB 3.02Å; A873-A877 PolarHBondContact O-N 3.25Å; A875-A877 PolarHBondContact O-N 3.12Å; A877-A880 PolarHBondContact O-N 3.17Å; A877-Q881 WeakPolarHBondContact O-CG 3.26Å; A877-Q881 PolarHBondContact O-N 2.86Å
878K84Confident73.8Confident154 Ų15487.9 Ų87.967%0.6750%0.499SS*.Hα-helixtrans-65.6-39.4174.1-76.9175.3178.7177.60112.3A874 A875 A876 Q881 Q882A874-K878 WeakPolarHBondContact O-CG 3.26Å; A874-K878 PolarHBondContact O-N 3.05Å; A875-K878 PolarHBondContact O-N 2.75Å; A876-K878 VanDerWaalsContact C-N 3.35Å; A876-K878 PolarHBondContact O-N 2.79Å; K878-Q881 PolarHBondContact O-N 2.87Å; K878-Q882 PolarHBondContact O-N 3.2Å
879L77.9Confident73.2Confident106 Ų10690.4 Ų90.456%0.55551%0.506SS*.Hα-helixtrans-63.9-45.8174-92.6164.3000112A875 A876 Q881 Q882 E883A875-L879 PolarHBondContact O-N 2.71Å; A876-L879 PolarHBondContact O-N 3Å; L879-Q881 VanDerWaalsContact C-N 3.34Å; L879-Q881 PolarHBondContact O-N 3.25Å; L879-Q882 WeakPolarHBondContact O-CB 3.4Å; L879-Q882 PolarHBondContact O-N 3.11Å; L879-Q882 VanDerWaalsContact O-N 3.08Å; L879-E883 PolarHBondContact O-N 2.82Å
880A79.4Confident72.2Confident54 Ų5494.1 Ų94.145%0.44652%0.521SS..Hα-helixtrans-60.5-41176.300000112.4A876 A877 Q882 E883 L884A876-A880 PolarHBondContact O-N 2.9Å; A877-A880 PolarHBondContact O-N 3.17Å; A880-Q882 VanDerWaalsContact C-N 3.35Å; A880-E883 PolarHBondContact O-N 2.86Å; A880-L884 WeakPolarHBondContact O-CG 3.35Å; A880-L884 PolarHBondContact O-N 2.86Å
881Q78.3Confident70.7Confident119 Ų11998.3 Ų98.356%0.55653%0.531SS*.Hα-helixtrans-64.4-37.4172.8-73.41782.600112.4A877 K878 L879 L884 Q885A877-Q881 WeakPolarHBondContact O-CG 3.26Å; A877-Q881 PolarHBondContact O-N 2.86Å; K878-Q881 PolarHBondContact O-N 2.87Å; L879-Q881 VanDerWaalsContact C-N 3.34Å; L879-Q881 PolarHBondContact O-N 3.25Å; Q881-L884 PolarHBondContact O-N 3.48Å; Q881-Q885 WeakPolarHBondContact O-CG 3.19Å; Q881-Q885 PolarHBondContact O-N 3.44Å
882Q76.7Confident68.8Low101 Ų101106.8 Ų106.847%0.47255%0.551SS.*Hα-helixtrans-67-40.2176.2-156.7-164.874.100111.9K878 L879 A880 Q885 K886K878-Q882 PolarHBondContact O-N 3.2Å; L879-Q882 WeakPolarHBondContact O-CB 3.4Å; L879-Q882 PolarHBondContact O-N 3.11Å; L879-Q882 VanDerWaalsContact O-N 3.08Å; A880-Q882 VanDerWaalsContact C-N 3.35Å; Q882-Q885 PolarHBondContact O-N 2.69Å; Q882-K886 WeakPolarHBondContact O-CG 3.36Å; Q882-K886 PolarHBondContact O-N 3.14Å
883E74.5Confident67.2Low102 Ų102107.8 Ų107.848%0.47756%0.556SS.*Hα-helixtrans-64.6-43173.6-77.2-54120.400112.3L879 A880 Q885 K886 A887L879-E883 PolarHBondContact O-N 2.82Å; A880-E883 PolarHBondContact O-N 2.86Å; E883-Q885 VanDerWaalsContact C-N 3.32Å; E883-Q885 PolarHBondContact O-N 3.3Å; E883-K886 WeakPolarHBondContact O-CB 3.26Å; E883-K886 PolarHBondContact O-N 2.79Å; E883-K886 VanDerWaalsContact O-N 3.14Å; E883-K886 VanDerWaalsContact OE1-CD 3.26Å; E883-K886 WeakPolarHBondContact OE1-CD 3.46Å; E883-K886 WeakPolarHBondContact OE1-CE 3.47Å; E883-K886 IonicContact OE1-NZ 2.71Å; E883-K886 PolarHBondContact OE1-NZ 3.18Å; E883-A887 WeakPolarHBondContact O-CB 3.47Å; E883-A887 PolarHBondContact O-N 3.4Å
884L71Confident65.4Low112 Ų112114.2 Ų114.259%0.58657%0.572SS**Hα-helixtrans-58.9-41.4174.4-78165.7000112.2A880 Q881 A887 Q888A880-L884 WeakPolarHBondContact O-CG 3.35Å; A880-L884 PolarHBondContact O-N 2.86Å; Q881-L884 PolarHBondContact O-N 3.48Å; L884-A887 PolarHBondContact O-N 2.8Å; L884-Q888 WeakPolarHBondContact O-CG 3.41Å; L884-Q888 PolarHBondContact O-N 3.48Å
885Q68.9Low63.2Low113 Ų113121.4 Ų121.453%0.52860%0.595SS.*Hα-helixtrans-67.3-36.4175.1-70.6-179.719.100112.9Q881 Q882 E883 K889Q881-Q885 WeakPolarHBondContact O-CG 3.19Å; Q881-Q885 PolarHBondContact O-N 3.44Å; Q882-Q885 PolarHBondContact O-N 2.69Å; E883-Q885 VanDerWaalsContact C-N 3.32Å; E883-Q885 PolarHBondContact O-N 3.3Å; Q885-K889 WeakPolarHBondContact O-CG 3.49Å; Q885-K889 PolarHBondContact O-N 3.25Å; Q885-K889 VanDerWaalsContact O-N 3.13Å
886K68.4Low61Low85 Ų85128.8 Ų128.837%0.3762%0.617SS.*Hα-helixtrans-65.6-41171.8-69.1169-161.8164.60111.3Q882 E883 K889 K890Q882-K886 WeakPolarHBondContact O-CG 3.36Å; Q882-K886 PolarHBondContact O-N 3.14Å; E883-K886 WeakPolarHBondContact O-CB 3.26Å; E883-K886 PolarHBondContact O-N 2.79Å; E883-K886 VanDerWaalsContact O-N 3.14Å; E883-K886 VanDerWaalsContact OE1-CD 3.26Å; E883-K886 WeakPolarHBondContact OE1-CD 3.46Å; E883-K886 WeakPolarHBondContact OE1-CE 3.47Å; E883-K886 IonicContact OE1-NZ 2.71Å; E883-K886 PolarHBondContact OE1-NZ 3.18Å; K886-K889 PolarHBondContact O-N 2.79Å; K886-K890 WeakPolarHBondContact O-CG 3.46Å; K886-K890 PolarHBondContact O-N 3.33Å
887A60.8Low58.8Low46 Ų46131.8 Ų131.838%0.3863%0.632SS.*Hα-helixtrans-65.7-42.9178.900000112.1E883 L884 K890 K891E883-A887 WeakPolarHBondContact O-CB 3.47Å; E883-A887 PolarHBondContact O-N 3.4Å; L884-A887 PolarHBondContact O-N 2.8Å; A887-K890 PolarHBondContact O-N 2.87Å; A887-K891 PolarHBondContact O-N 3.21Å
888Q59.8Low56.4Low135 Ų135137 Ų13763%0.63165%0.652SS**Hα-helixtrans-61.4-45.2173.5-73.8176.1-9.200111.7L884 K890 K891 Y892L884-Q888 WeakPolarHBondContact O-CG 3.41Å; L884-Q888 PolarHBondContact O-N 3.48Å; Q888-K890 VanDerWaalsContact C-N 3.3Å; Q888-K890 PolarHBondContact O-N 3.31Å; Q888-K891 PolarHBondContact O-N 2.85Å; Q888-K891 VanDerWaalsContact O-N 3.17Å; Q888-Y892 PolarHBondContact O-N 3Å
889K52.6Low53.8Low160 Ų160136.9 Ų136.970%0.69666%0.658SS**Hα-helixtrans-62.6-32.8174.9-74.2176.3178.7175.20113.2Q885 K886Q885-K889 WeakPolarHBondContact O-CG 3.49Å; Q885-K889 PolarHBondContact O-N 3.25Å; Q885-K889 VanDerWaalsContact O-N 3.13Å; K886-K889 PolarHBondContact O-N 2.79Å
890K47.3Very low51.3Low168 Ų168141.1 Ų141.173%0.7367%0.672SS**Hα-helixtrans-73.5-31.1173.2-77179.1177.1176.50113.5K886 A887 Q888 Y892 I893K886-K890 WeakPolarHBondContact O-CG 3.46Å; K886-K890 PolarHBondContact O-N 3.33Å; A887-K890 PolarHBondContact O-N 2.87Å; Q888-K890 VanDerWaalsContact C-N 3.3Å; Q888-K890 PolarHBondContact O-N 3.31Å; K890-Y892 VanDerWaalsContact C-N 3.31Å; K890-Y892 PolarHBondContact O-N 3.25Å; K890-I893 PolarHBondContact O-N 2.93Å
891K43.2Very low48.8Very low183 Ų183146.9 Ų146.980%0.79669%0.69SS**Hα-helixtrans-70.7-21.3178.5-79.4-172.9175.7-1760114A887 Q888 I893A887-K891 PolarHBondContact O-N 3.21Å; Q888-K891 PolarHBondContact O-N 2.85Å; Q888-K891 VanDerWaalsContact O-N 3.17Å; K891-I893 VanDerWaalsContact C-N 3.26Å; K891-I893 PolarHBondContact O-N 2.84Å
892Y38.6Very low46.3Very low218 Ų218145.2 Ų145.286%0.85570%0.696SS**THydrogen-bonded Turntrans-79.60.7178-127.8-88.7000114.8Q888 K890Q888-Y892 PolarHBondContact O-N 3Å; K890-Y892 VanDerWaalsContact C-N 3.31Å; K890-Y892 PolarHBondContact O-N 3.25Å
893I43.2Very low43.9Very low139 Ų139149.7 Ų149.771%0.71372%0.717SS**SBendtrans-128.865.1-177.6-45.6-179.2000110.9K890 K891K890-I893 PolarHBondContact O-N 2.93Å; K891-I893 VanDerWaalsContact C-N 3.26Å; K891-I893 PolarHBondContact O-N 2.84Å
894K34.4Very low41.5Very low197 Ų197153.3 Ų153.386%0.85773%0.734SS**  trans-165.2145.3157.7-112158.4-174-178.40113.2
895K31.4Very low39.8Very low201 Ų201153.6 Ų153.687%0.87474%0.743SS**  trans67.9112.5173.7-63.8-170.8174.8-173.60118.6
896K28.4Very low37.6Very low206 Ų206157.7 Ų157.790%0.89675%0.754SS**  trans-126.2134.4137.7-97.3-161174.3-1640108
897P34.5Very low36Very low121 Ų121159 Ų15979%0.78677%0.771SS**  trans-95.1-168.4145.7-16.334000111.6
898L30.3Very low34.4Very low156 Ų156163.9 Ų163.982%0.81779%0.785SS**  trans-127.7149.2-166.8-89.4161.5000113.8
899L29.8Very low32.8Very low153 Ų153163.8 Ų163.880%0.80179%0.79SS**  trans59.3119.9152.2-62.1165.8000120.5
900K26.5Very low31.8Very low195 Ų195160.5 Ų160.585%0.84879%0.786SS**  -162.5-179.599.4-111.7-170.3175.9-165.60112.6
901E26.4Very low30.9Very low174 Ų174159.5 Ų159.581%0.81379%0.789SS**  trans-96.4169.8-166.5-59.9136.7107.900114.6
902A25.4Very low30.3Very low85 Ų85156.6 Ų156.670%0.70279%0.787SS**  trans137.5134.3130.900000116.7
903E25.5Very low30Very low194 Ų194153.6 Ų153.691%0.90778%0.784SS**  trans67.9157.4147.4-73178.9105.400124.9
904Q25.7Very low29.8Very low178 Ų178152.4 Ų152.483%0.83278%0.782SS**  trans-116.8172.8-178.3-119.1-178.934.300107.2
905P34.4Very low29.5Very low119 Ų119149.7 Ų149.777%0.77378%0.783SS**  -157.5-164.758.342.8-18.6000118.1
906R22.3Very low29.6Very low199 Ų199146.1 Ų146.175%0.75178%0.777SS**  trans-58.3167.1172.7-106.3178.2-177179.4-1.8115.6
907P36.2Very low29.7Very low112 Ų112142.1 Ų142.173%0.72778%0.776SS**  -121.3153.368.11.323.5000115
908Q26.8Very low29.6Very low148 Ų148140.8 Ų140.869%0.69278%0.775SS**  71.912375.6-64.2176-58.900114
909D27.1Very low30.8Very low134 Ų134138.4 Ų138.472%0.71777%0.768SS**  74.8135.660.3-64.3-46.7000111.9
910S30.8Very low31.1Very low90 Ų90137.3 Ų137.363%0.62977%0.768SS**  cis-172.8175.76.149.80000113.7
911N28.6Very low32.8Very low147 Ų147133.6 Ų133.679%0.78676%0.764SS**  trans73.5172152.5-60.6-22.9000121.5
912V30.2Very low33.2Very low123 Ų123129.7 Ų129.775%0.74576%0.761SS**  -170.9-178.6-61.9161.40000107.5
913I32.4Very low33.6Very low155 Ų155132.3 Ų132.380%0.79577%0.769SS**  trans93.2137.1162.2-55.7-174.6000117
914V39.3Very low33.8Very low113 Ų113127.1 Ų127.169%0.68576%0.76SS**  cis-159161.4-20.3131.10000110.4V916V914-V916 HydrophobicContact CG1-CG2 4.33Å
915T26.9Very low35.2Very low140 Ų140124 Ų12486%0.85975%0.754SS**  trans-145.7169.5162.8-30.70000110.8
916V34.7Very low35.1Very low126 Ų126126.7 Ų126.776%0.76476%0.757SS**  trans-149.1174.1-162.5-133.10000115.1V914V914-V916 HydrophobicContact CG1-CG2 4.33Å
917S30.4Very low36.5Very low123 Ų123121.7 Ų121.786%0.8675%0.75SS**  trans99.8148.6162.4-59.30000119.7
918A32.3Very low36.2Very low93 Ų93123.9 Ų123.977%0.76976%0.755SS**  trans-143.3-156-165.100000110.2
919P55.1Low36.3Very low105 Ų105122.9 Ų122.968%0.68276%0.759SS**  cis-149.2156.211.244.6-23.3000121.3
920T36.1Very low36.3Very low130 Ų130121.2 Ų121.280%0.79876%0.758SS**  trans57.8165.6139.655.40000124.3
921P61.3Low36.1Very low117 Ų117122.1 Ų122.176%0.7676%0.764SS**  cis-133.7168.5-10231.5000119
922A36Very low36.7Very low92 Ų92121 Ų12176%0.7677%0.768SS**  trans73.3171162.300000118.3
923T32.8Very low37.3Very low140 Ų140120.2 Ų120.286%0.85977%0.765SS**  cis-150.1-179.77.6-30.70000111.9
924A31.1Very low37.2Very low86 Ų86121.4 Ų121.471%0.71177%0.768SS**  trans-155.6-170.5-179.600000111.9
925P55Low37.9Very low111 Ų111121.2 Ų121.272%0.72177%0.769SS**  cis-145156.2-4.240.6-20.2000120.2
926Q31.6Very low39.5Very low176 Ų176119.7 Ų119.782%0.82276%0.761SS**  trans63.8168.2139.6-61.8-90.3-38.300121.3
927P52.5Low40.5Very low94 Ų94119.9 Ų119.961%0.6177%0.765SS**  cis-144.1166.9-39.739.3-21.4000119.4
928L29.6Very low40.7Very low159 Ų159122.7 Ų122.783%0.83276%0.764SS**  trans72.7144.8141.8-78.4166.3000125.8
929T27.9Very low41.4Very low126 Ų126122.8 Ų122.877%0.77376%0.757SS**  trans107.9118.9151.769.70000123.3
930S26.7Very low40.4Very low99 Ų99126.3 Ų126.369%0.69276%0.762SS**  trans31135140.5620000127.1
931S27.6Very low40.2Very low109 Ų109127.1 Ų127.176%0.76276%0.756SS**  trans69.8140.1131.864.30000123.3
932S42.1Very low38.8Very low125 Ų125129.4 Ų129.487%0.87476%0.757SS**  trans-91.4140.6171.4-38.50000113.8
933P42Very low38.6Very low105 Ų105129.1 Ų129.168%0.68276%0.755SS**  trans-141.2129.4152.636.1-19.4000113.9
934Q29.3Very low38.4Very low181 Ų181131 Ų13185%0.84676%0.759SS**  99.9169.789.7-74-148.9-68.200114.1
935P55.5Low38.3Very low109 Ų109132.5 Ų132.571%0.70876%0.764SS**  -135.6-117.4-10030.9-0.2000116.2
936P60.9Low37.2Very low107 Ų107130.3 Ų130.370%0.69576%0.761SS**  -131.4-175.8-127.443.9-23.8000116.3
937P54.2Low37.1Very low130 Ų130127.5 Ų127.584%0.84476%0.761SS**  trans-131.8-170.8146.540.2-28.4000114.4
938E35.7Very low36.1Very low182 Ų182130.4 Ų130.485%0.8577%0.771SS**  trans-142.3-179178.5-125.7-169.8-176.600106.1
939P47.5Very low36.2Very low96 Ų96126.3 Ų126.362%0.62376%0.76SS**  cis-142.2-172.5-18.441.9-23.4000115.6
940K34.3Very low36.5Very low179 Ų179126.9 Ų126.978%0.77876%0.758SS**  trans83.8130.3145.3-82.3178.8179.7-173.20125.8
941Q31.3Very low36.8Very low146 Ų146130.4 Ų130.468%0.68276%0.764SS**  trans73.9110138.1-75.5-177.8-91.600125
942E30.8Very low37Very low165 Ų165132.7 Ų132.777%0.77176%0.762SS**  65127.4118.3-70.2179.5129.900125.5
943A32.1Very low36.6Very low87 Ų87136 Ų13672%0.71976%0.757SS**  105.5122.3126.200000123.2
944L28.7Very low35.9Very low178 Ų178136.6 Ų136.693%0.93276%0.759SS**  trans81.2149.6143.2-69.9166000122.4
945S30.2Very low35.8Very low119 Ų119132.7 Ų132.783%0.83276%0.758SS**  trans-118.8167.5-175.1-59.50000112.1
946G30.8Very low34.5Very low64 Ų64138.9 Ų138.966%0.6677%0.767SS**  trans-66.2163.617100000114.6
947S29.4Very low33.8Very low117 Ų117138.8 Ų138.882%0.81877%0.766SS**  cis74.4127.833.9-167.90000112.7
948L32.3Very low32.6Very low155 Ų155139.8 Ų139.881%0.81276%0.764SS**  cis-168.4-178.7-17.5-127.7170.1000108.7
949A32.1Very low32.4Very low74 Ų74134.6 Ų134.661%0.61275%0.753SS**  trans67.9100.215900000119.6
950D34.2Very low31.6Very low137 Ų137139.9 Ų139.973%0.73377%0.766SS**  27134.9108-46-52.7000120.1
951H33Very low31.2Very low173 Ų173134.8 Ų134.880%0.80177%0.765SS**  -166177102.5-105.1-65.8000112.8
952E31.7Very low31.1Very low158 Ų158136.3 Ų136.374%0.73877%0.774SS**  trans-101.7-172.6-158.6-57.5162.788.600114.9
953Y32.2Very low31.1Very low193 Ų193132.7 Ų132.776%0.75777%0.772SS**  trans108.784.1142.6-117.6-92.8000119.8
954T28.7Very low30.9Very low119 Ų119137.3 Ų137.373%0.7378%0.779SS**  35.9103119.2-45.30000119.2
955A27.4Very low31Very low99 Ų99132.9 Ų132.982%0.81877%0.768SS**  -161.5137.912800000112.9
956R28.2Very low30.9Very low239 Ų239133.6 Ų133.690%0.90276%0.762SS**  trans-88.9175.8160.3-81.6-178.7169-177.2-3.2108.5
957P45.1Very low30.8Very low104 Ų104141.1 Ų141.168%0.67577%0.771SS**  cis-147.3-17319.647.2-27.5000117.2
958N29.7Very low30.7Very low151 Ų151140.3 Ų140.381%0.80777%0.765SS**  trans35.5152.5130.5-66.617.4000122.1
959A31.1Very low30.6Very low73 Ų73139.3 Ų139.360%0.60377%0.766SS**  cis-175.8160.6-1.800000113.2
960F30.1Very low30.6Very low207 Ų207142.1 Ų142.191%0.90878%0.775SS**  trans67.8156.5145.5-88.1-120.7000122.5
961G26.1Very low31.2Very low73 Ų73140.8 Ų140.875%0.75377%0.774SS**  trans102.196171.600000114.8
962M29.4Very low31Very low178 Ų178140.9 Ų140.988%0.87778%0.777SS**  cis101.9106.920.9-161.5178.1-17500115.2
963A30.4Very low31.1Very low89 Ų89137.4 Ų137.474%0.73678%0.775SS**  trans67.5163.3160.500000118.1
964Q28.8Very low31.6Very low184 Ų184134.7 Ų134.786%0.8678%0.781SS**  cis-161.1159.91.1-146.7174.116.400113
965A29.8Very low31.6Very low84 Ų84132.7 Ų132.769%0.69479%0.785SS**  trans66.2160.9157.700000118.4
966N27.8Very low31.7Very low134 Ų134134 Ų13472%0.71778%0.782SS**  cis-158174.617.4-144-23.9000114.1
967R28.8Very low31.7Very low223 Ų223131 Ų13184%0.84278%0.776SS**  trans-28.1153.2172-61.1153176.4-173-2.2117.4
968S27.9Very low30.9Very low100 Ų100132.9 Ų132.970%0.69978%0.779SS**  179.7150.263.657.70000117.8
969T30.4Very low30.7Very low133 Ų133130.5 Ų130.582%0.81677%0.771SS**  trans58.3126.5142.454.10000124.6
970T31.5Very low30.5Very low133 Ų133133.7 Ų133.782%0.81677%0.773SS**  trans-73-179155.643.10000111.6
971P47.9Very low30.3Very low109 Ų109133.6 Ų133.671%0.70877%0.767SS**  cis-156.1-167.134.342.3-16.7000120.5
972M28.1Very low30.3Very low176 Ų176140.9 Ų140.987%0.86777%0.771SS**  trans92.6132.3160.5-59.2-89.280.600120.3
973A34.6Very low30.3Very low84 Ų84137.8 Ų137.869%0.69477%0.765SS**  trans-136.7165.316300000106.8
974P42.2Very low30.1Very low136 Ų136138.1 Ų138.188%0.88376%0.761SS**  -155.9-170.47941.1-20.5000114.7
975G28.5Very low30Very low78 Ų78136.2 Ų136.280%0.80476%0.762SS**  trans146.1107.515600000118.1
976V28.8Very low29.8Very low126 Ų126135.6 Ų135.676%0.76476%0.764SS**  trans-83166.2-172.8-154.10000114.3
977F29Very low29.8Very low177 Ų177135.2 Ų135.278%0.77677%0.772SS**  trans100.7133.8139.1-93-53.5000123.8
978L28.4Very low29.7Very low142 Ų142133.4 Ų133.474%0.74377%0.773SS**  trans69159.5152.5-58.3174.6000119.3
979T25.9Very low29.6Very low102 Ų102134.4 Ų134.463%0.62678%0.78SS**  cis-161.4152.9-36.723.10000113.5
980Q27.3Very low29.5Very low140 Ų140133 Ų13365%0.65478%0.776SS**  trans58.9121.9141.2-69.8-171.569.800125.4
981R25.5Very low29.3Very low204 Ų204136 Ų13677%0.7778%0.78SS**  75.2119.2125.8-69179.5174.3179.52.7124.6
982R24.6Very low28.5Very low226 Ų226135.8 Ų135.885%0.85379%0.788SS**  trans65.8171.4135.7-76.1-173.3175.7-173-2.2118
983P31.1Very low28.4Very low113 Ų113131.2 Ų131.273%0.73479%0.786SS**  cis-99.6176-615.87.8000112.1
984S25.9Very low28.3Very low96 Ų96137.1 Ų137.167%0.67180%0.799SS**  cis83.3144.224.182.80000117.6
985V26.8Very low27.6Very low144 Ų144133.9 Ų133.987%0.87379%0.791SS**  trans85.3134.1-169.3-173.30000113.1
986G25.2Very low27.7Very low71 Ų71140.1 Ų140.173%0.73280%0.796SS**  cis128.3109.8-12.100000114.7
987S27.3Very low28.2Very low127 Ų127145.3 Ų145.389%0.88880%0.802SS**  trans-135.9151.1174.753.10000111.9
988Q27.3Very low28.4Very low185 Ų185142.9 Ų142.986%0.86480%0.804SS**  trans-118155.3-175.4-61.7174.5-9.600110.6
989S25.9Very low29.1Very low121 Ų121145.2 Ų145.285%0.84681%0.808SS**  trans-144.4142.3146.766.30000109.4
990S27.1Very low29.7Very low103 Ų103150.6 Ų150.672%0.7282%0.822SS**  trans-147.1121.3-166-56.10000112
991Q28.4Very low30.2Very low195 Ų195147.4 Ų147.491%0.91183%0.827SS**  trans-147.5126.1150.5-82.3-176.34.600106.9
992A30Very low31.1Very low105 Ų105146.1 Ų146.187%0.86884%0.835SS**  cis96.498.338.100000112.6
993G26.5Very low31.9Very low80 Ų80138.2 Ų138.283%0.82582%0.817SS**  trans-152.5139.1171.400000109.9
994Q31.9Very low33.1Very low208 Ų208137.4 Ų137.497%0.97281%0.811SS**  trans-98.5150.1-168.5-60.4-1737.500113.9
995G29.1Very low33.9Very low69 Ų69136.5 Ų136.571%0.71181%0.809SS**  trans152.9126.3147.700000118.5
996K30.2Very low34.7Very low208 Ų208138.6 Ų138.690%0.90481%0.806SS**  trans66.6107.8151.6-58.3174.6-176.9173.50118.5
997R38Very low35.8Very low236 Ų236141.5 Ų141.589%0.89180%0.801SS**  trans-67.7154.3161.7-74.5174.4165.6160.3-4.4111.7
998P34.2Very low36.8Very low126 Ų126144.6 Ų144.682%0.81879%0.793SS**  -130151.9122.936.4-29.5000113.6
999K43.4Very low37.6Very low191 Ų191141.4 Ų141.483%0.8378%0.781SS**  trans-85.9140.1168.2-63.3174.7-179.8174.70109.9
1000K38.7Very low38.4Very low214 Ų214138.8 Ų138.893%0.9377%0.774SS**  trans-157131.8150-111.1161.6-1741740109.9
1001G38.2Very low39.3Very low74 Ų74144.9 Ų144.976%0.76378%0.781SS**PPolyproline II helixtrans-91166.7-179.500000112.8
1002L42.7Very low40.3Very low177 Ų177142.5 Ų142.593%0.92777%0.773SS**PPolyproline II helixtrans-70132.2175.7-73.476.3000110.7
1003A41.8Very low40.8Very low59 Ų59143.1 Ų143.149%0.48876%0.761SS.*PPolyproline II helixtrans-78.6135.3166.400000110.1Q1007A1003-Q1007 HydrophobicContact CB-CB 4.47Å
1004T56.3Low41.4Very low96 Ų96148.5 Ų148.559%0.58976%0.762SS**PPolyproline II helixtrans-75.5156.9178.154.30000111.7K1006 Q1007T1004-K1006 PolarHBondContact O-N 3.03Å; T1004-Q1007 PolarHBondContact O-N 3.16Å
1005A42.1Very low41.9Very low77 Ų77145.3 Ų145.364%0.63675%0.75SS**THydrogen-bonded Turntrans-52.7-32.6-174.100000114.2Q1007 R1008A1005-Q1007 PolarHBondContact O-N 2.85Å; A1005-Q1007 VanDerWaalsContact O-N 3.16Å; A1005-R1008 PolarHBondContact O-N 2.89Å
1006K44.9Very low42.3Very low188 Ų188150 Ų15082%0.81775%0.753SS**Hα-helixtrans-59-24.9176.7-162.9167.9-173.8171.20113.8T1004T1004-K1006 PolarHBondContact O-N 3.03Å
1007Q48.8Very low42.8Very low132 Ų132151.7 Ų151.762%0.61775%0.754SS**Hα-helixtrans-86.4-10.7175.2-69.5-177.4-28.300114A1003 T1004 A1005A1003-Q1007 HydrophobicContact CB-CB 4.47Å; T1004-Q1007 PolarHBondContact O-N 3.16Å; A1005-Q1007 PolarHBondContact O-N 2.85Å; A1005-Q1007 VanDerWaalsContact O-N 3.16Å
1008R46.9Very low42.9Very low192 Ų192147.5 Ų147.573%0.72575%0.749SS**Hα-helixtrans-85.2-40.3174-70.4-173174.2-167.6-2.7112.3A1005 G1010 R1011A1005-R1008 PolarHBondContact O-N 2.89Å; R1008-G1010 VanDerWaalsContact C-N 3.29Å; R1008-G1010 PolarHBondContact O-N 2.74Å; R1008-R1011 PolarHBondContact O-N 3.32Å
1009L44.2Very low43.5Very low118 Ų118145.6 Ų145.662%0.61875%0.752SS**Hα-helixtrans-56.1-41.2176.7-106.172.5000112.8R1011 I1012 L1013L1009-R1011 PolarHBondContact O-N 2.87Å; L1009-I1012 PolarHBondContact O-N 3Å; L1009-I1012 VanDerWaalsContact O-N 3.1Å; L1009-L1013 PolarHBondContact O-N 3.45Å
1010G42.7Very low43Very low67 Ų67145.9 Ų145.969%0.69175%0.753SS**THydrogen-bonded Turntrans-66.81.2-17800000116.3R1008R1008-G1010 VanDerWaalsContact C-N 3.29Å; R1008-G1010 PolarHBondContact O-N 2.74Å
1011R46Very low42.8Very low231 Ų231144 Ų14487%0.87275%0.752SS**THydrogen-bonded Turntrans-107.5-10.6171.9-86.8-171.8170.9-167.4-3.5114.6R1008 L1009R1008-R1011 PolarHBondContact O-N 3.32Å; L1009-R1011 PolarHBondContact O-N 2.87Å
1012I49.6Very low42.8Very low144 Ų144148.1 Ų148.174%0.73876%0.756SS**THydrogen-bonded Turntrans-99.7-39.3-178.3-61.8176.4000110.5L1009 K1014L1009-I1012 PolarHBondContact O-N 3Å; L1009-I1012 VanDerWaalsContact O-N 3.1Å; I1012-K1014 PolarHBondContact O-N 2.85Å
1013L41.4Very low42.4Very low119 Ų119151.4 Ų151.462%0.62377%0.773SS**  trans-82.976.6178.5-66.2176.5000112.3L1009 I1015L1009-L1013 PolarHBondContact O-N 3.45Å; L1013-I1015 HydrophobicContact CB-CG1 4.37Å; L1013-I1015 PolarHBondContact O-N 3.37Å
1014K39.3Very low42.4Very low192 Ų192156.1 Ų156.184%0.83579%0.788SS**  trans-81.960172.8-151.8-177.4-174-170.60111.2I1012 H1016I1012-K1014 PolarHBondContact O-N 2.85Å; K1014-H1016 PolarHBondContact O-N 3.07Å
1015I42Very low41.7Very low142 Ų142159.2 Ų159.273%0.72880%0.798SS**  trans-56.8118-179.7-61.7169.7000109.4L1013L1013-I1015 HydrophobicContact CB-CG1 4.37Å; L1013-I1015 PolarHBondContact O-N 3.37Å
1016H36.4Very low41.7Very low166 Ų166163.8 Ų163.877%0.76981%0.807SS**  trans-80139.3176.5-129.8-112.3000110.7K1014 N1018K1014-H1016 PolarHBondContact O-N 3.07Å; H1016-N1018 PolarHBondContact O-N 2.79Å
1017R41.8Very low41.5Very low244 Ų244162.4 Ų162.492%0.92181%0.807SS**SBendtrans-86.950.6-165.7-164-175.7171.6178-3.6113.1
1018N40.2Very low41Very low149 Ų149164.3 Ų164.380%0.79782%0.818SS**SBendtrans-141.9110.7168.8-87.1-17.2000107.7H1016 K1020H1016-N1018 PolarHBondContact O-N 2.79Å; N1018-K1020 PolarHBondContact O-N 3.14Å
1019G45.8Very low40.6Very low85 Ų85162.4 Ų162.488%0.87683%0.825SS**  trans-87.1104.2-174.900000112.9
1020K33.8Very low40.3Very low197 Ų197165.6 Ų165.686%0.85784%0.839SS**  trans-143.8126.8146.7-88.8-166.6173.5-172.20108N1018N1018-K1020 PolarHBondContact O-N 3.14Å
1021L34.1Very low40.2Very low174 Ų174173.2 Ų173.291%0.91185%0.851SS**  trans-103140.1159.4-86.5155.5000106.3
1022L37.6Very low39.7Very low161 Ų161168.3 Ų168.384%0.84385%0.849SS**  trans-127.1148.2157.9-81166.7000106
1023L34.2Very low38.8Very low247 Ų247170.5 Ų170.5100%1.29386%0.859SS**  trans-76.20164.1-7098.6000109.3

Retrieved 1,023 of 1,023 residues in 403.7 ms (Link to these results)

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