A0A087XXB2_POEFO Loading...

Histone lysine demethylase PHF8

AlphaFold DB , UniProt , Accession A0A087XXB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, 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
1M43.7Very low77.8Confident245 Ų24595 Ų95100%1.20754%0.539SS*.  0148.70-64.8-177.2175.500107.5S3M1-S3 PolarHBondContact O-N 3.28Å
2A49.5Very low78.5Confident102 Ų10293.8 Ų93.884%0.84353%0.53SS*.PPolyproline II helixtrans-70.3121.4169.600000108.8
3S67.6Low79.1Confident111 Ų11191.9 Ų91.978%0.77652%0.523SS*.PPolyproline II helixtrans-66.3129.3168.438.10000108.8M1M1-S3 PolarHBondContact O-N 3.28Å
4V75.1Confident79.5Confident108 Ų10895.1 Ų95.166%0.65552%0.524SS*.PPolyproline II helixtrans-63.4128.8171.5-178.90000107.3V6 P13V4-V6 PolarHBondContact O-N 3.28Å; V4-P13 HydrophobicContact CG1-CB 3.91Å
5P78.5Confident79.7Confident74 Ų7492.7 Ų92.748%0.48151%0.51SS..PPolyproline II helixtrans-63.3136.6178.627-34.5000109.9Y7P5-Y7 HydrophobicContact CB-CE2 3.86Å; P5-Y7 HydrophobicContact CG-CE2 4.04Å
6V90.3Very high79.6Confident73 Ų7394.7 Ų94.744%0.44253%0.526SS..EExtended strand (participates in β ladder)trans-117.9142.1177.2-66.40000109.4V4 R11 L12V4-V6 PolarHBondContact O-N 3.28Å; V6-R11 HydrophobicContact CG2-CB 4.45Å; V6-L12 CarbonylContact C-O 3.51Å; V6-L12 WeakPolarHBondContact CA-O 3.32Å
7Y89.7Confident79.4Confident67 Ų6796.4 Ų96.426%0.26354%0.539SS..EExtended strand (participates in β ladder)trans-127.8167.9-169.8-57.7-87000110.2P5 R11 L12 D28 W29P5-Y7 HydrophobicContact CB-CE2 3.86Å; P5-Y7 HydrophobicContact CG-CE2 4.04Å; Y7-R11 WeakPolarHBondContact O-CA 3.39Å; Y7-R11 PolarHBondContact O-N 3.38Å; Y7-L12 PolarHBondContact N-O 3.23Å; Y7-L12 PolarHBondContact O-N 3.45Å; Y7-D28 WeakPolarHBondContact CA-OD1 3.34Å; Y7-W29 WeakPolarHBondContact CB-O 3.41Å; Y7-W29 HydrophobicContact CD1-CB 3.94Å; Y7-W29 HydrophobicContact CD1-CG 4.45Å; Y7-W29 HydrophobicContact CG-CB 4.35Å
8C90.3Very high79.6Confident0 Ų095.2 Ų95.20%053%0.525CS..THydrogen-bonded Turntrans66.1169173.1-167.30000113.9C10 R11 M20 D28 W29 F30 H31 C34C8-C10 PolarHBondContact O-N 3.36Å; C8-R11 WeakPolarHBondContact O-CD 3.44Å; C8-R11 PolarHBondContact O-N 3.06Å; C8-R11 PolarHBondContact O-NH1 2.74Å; C8-M20 HydrophobicContact CB-CE 4.37Å; C8-D28 PolarHBondContact N-OD1 3.48Å; C8-W29 VanDerWaalsContact CA-O 3.22Å; C8-W29 WeakPolarHBondContact CA-O 3.37Å; C8-W29 VanDerWaalsContact CB-O 3.26Å; C8-W29 WeakPolarHBondContact CB-O 3.39Å; C8-W29 PolarHBondContact N-O 3.46Å; C8-F30 HydrophobicContact CB-CD1 4.43Å; C8-H31 PolarHBondContact SG-N 3.35Å; C8-H31 VanDerWaalsContact SG-N 3.41Å; C8-C34 VanDerWaalsContact SG-CB 3.59Å
9L89.6Confident80Confident76 Ų7693.1 Ų93.140%0.39851%0.51SS..THydrogen-bonded Turntrans-55.4-32.7173.9-59.2176.9000112.2R11 F30 V35L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.29Å; L9-F30 HydrophobicContact CD2-CE1 3.91Å; L9-F30 HydrophobicContact CG-CD1 4.08Å; L9-F30 HydrophobicContact CG-CE1 3.88Å; L9-V35 HydrophobicContact CD1-CG1 4.27Å
10C91.4Very high80.4Confident52 Ų5289.3 Ų89.335%0.35149%0.489SS..THydrogen-bonded Turntrans-78.1-5.5178.964.10000114.8C8 L12 H31C8-C10 PolarHBondContact O-N 3.36Å; C10-L12 VanDerWaalsContact C-N 3.27Å; C10-L12 HydrophobicContact CB-CD1 4.37Å; C10-L12 HydrophobicContact CB-CG 4.23Å; C10-L12 PolarHBondContact O-N 3.1Å; C10-H31 PolarHBondContact SG-ND1 3.08Å; C10-H31 VanDerWaalsContact SG-ND1 3.42Å
11R89.9Confident80.9Confident137 Ų13786 Ų8652%0.51747%0.47SS..THydrogen-bonded Turntrans4845.8179.1-59.5-61.5177.6-152.4-0.7114V6 Y7 C8 L9 D28V6-R11 HydrophobicContact CG2-CB 4.45Å; Y7-R11 WeakPolarHBondContact O-CA 3.39Å; Y7-R11 PolarHBondContact O-N 3.38Å; C8-R11 WeakPolarHBondContact O-CD 3.44Å; C8-R11 PolarHBondContact O-N 3.06Å; C8-R11 PolarHBondContact O-NH1 2.74Å; L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.29Å; R11-D28 IonicContact CZ-OD2 3.63Å; R11-D28 IonicContact NH1-OD2 2.7Å; R11-D28 PolarHBondContact NH1-OD2 3.5Å; R11-D28 IonicContact NH2-OD2 3.66Å
12L86.9Confident83.1Confident81 Ų8178.4 Ų78.442%0.42443%0.432SS..EExtended strand (participates in β ladder)trans-99.4154.2175.6-67.2-179.9000110.8V6 Y7 C10V6-L12 CarbonylContact C-O 3.51Å; V6-L12 WeakPolarHBondContact CA-O 3.32Å; Y7-L12 PolarHBondContact N-O 3.23Å; Y7-L12 PolarHBondContact O-N 3.45Å; C10-L12 VanDerWaalsContact C-N 3.27Å; C10-L12 HydrophobicContact CB-CD1 4.37Å; C10-L12 HydrophobicContact CB-CG 4.23Å; C10-L12 PolarHBondContact O-N 3.1Å
13P86.6Confident85.1Confident69 Ų6973.5 Ų73.545%0.44839%0.392SS..EExtended strand (participates in β ladder)trans-64.7157.916930.5-36.4000111V4 D15V4-P13 HydrophobicContact CG1-CB 3.91Å; P13-D15 PolarHBondContact O-N 3.25Å
14Y83.4Confident86.2Confident137 Ų13771.8 Ų71.854%0.53737%0.374SS..PPolyproline II helixtrans-57.1133.3179179.2-105.6000112.8V16 M20Y14-V16 HydrophobicContact CD1-CG2 4.38Å; Y14-V16 HydrophobicContact CE1-CG2 3.87Å; Y14-M20 HydrophobicContact CD2-SD 3.57Å; Y14-M20 VanDerWaalsContact CD2-SD 3.57Å; Y14-M20 HydrophobicContact CE2-SD 3.83Å
15D82.4Confident86.9Confident58 Ų5869.8 Ų69.831%0.3136%0.359SS..  trans-122.4115.3-179.4-175.4-10.7000110.3P13 T17 R18P13-D15 PolarHBondContact O-N 3.25Å; D15-T17 VanDerWaalsContact CG-OG1 3.29Å; D15-T17 PolarHBondContact O-N 3.36Å; D15-T17 WeakPolarHBondContact OD1-CB 3.45Å; D15-T17 PolarHBondContact OD1-N 3.35Å; D15-T17 PolarHBondContact OD1-OG1 3.4Å; D15-T17 PolarHBondContact OD2-OG1 3.06Å; D15-R18 HydrophobicContact CB-CG 4.38Å; D15-R18 PolarHBondContact O-N 3.28Å; D15-R18 WeakPolarHBondContact OD2-CD 3.47Å
16V78.2Confident87.5Confident125 Ų12569 Ų6976%0.75836%0.355SS*.THydrogen-bonded Turntrans-64.3-19.1-179-172.60000112.4Y14Y14-V16 HydrophobicContact CD1-CG2 4.38Å; Y14-V16 HydrophobicContact CE1-CG2 3.87Å
17T77.4Confident87.4Confident123 Ų12372.7 Ų72.776%0.75537%0.367SS*.THydrogen-bonded Turntrans-89.4-3.8-176.8680000114D15D15-T17 VanDerWaalsContact CG-OG1 3.29Å; D15-T17 PolarHBondContact O-N 3.36Å; D15-T17 WeakPolarHBondContact OD1-CB 3.45Å; D15-T17 PolarHBondContact OD1-N 3.35Å; D15-T17 PolarHBondContact OD1-OG1 3.4Å; D15-T17 PolarHBondContact OD2-OG1 3.06Å
18R83.1Confident87.4Confident75 Ų7570.7 Ų70.728%0.28336%0.361SS..SBendtrans-120.2128.6-176.4-62.7-176.968.4-162.6-1.1110.7D15 M20 S33D15-R18 HydrophobicContact CB-CG 4.38Å; D15-R18 PolarHBondContact O-N 3.28Å; D15-R18 WeakPolarHBondContact OD2-CD 3.47Å; R18-M20 PolarHBondContact O-N 3.44Å; R18-S33 PolarHBondContact NH2-OG 2.97Å
19F87.5Confident87.4Confident56 Ų5674.9 Ų74.925%0.24638%0.376CS..  trans-56.4130.4171.2168-107.7000111.3I21 H31 G32 V37 E39 A42F19-I21 HydrophobicContact CE1-CB 4.49Å; F19-I21 HydrophobicContact CZ-CB 3.95Å; F19-H31 WeakPolarHBondContact O-CA 3.46Å; F19-G32 PolarHBondContact O-N 3.24Å; F19-V37 HydrophobicContact CE1-CG1 4.23Å; F19-E39 HydrophobicContact CB-CB 4.32Å; F19-E39 HydrophobicContact CD1-CB 4.05Å; F19-E39 HydrophobicContact CD2-CB 3.99Å; F19-E39 HydrophobicContact CD2-CG 3.71Å; F19-E39 HydrophobicContact CE2-CB 4.46Å; F19-E39 HydrophobicContact CE2-CG 4.19Å; F19-E39 HydrophobicContact CG-CB 3.81Å; F19-E39 HydrophobicContact CG-CG 4.02Å; F19-A42 HydrophobicContact CE1-CB 4.08Å; F19-A42 HydrophobicContact CE2-CB 4.05Å; F19-A42 HydrophobicContact CZ-CB 3.34Å
20M87.6Confident87.6Confident17 Ų1771.4 Ų71.48%0.08436%0.358CS..EExtended strand (participates in β ladder)trans-132.9147.6177.3-57.8-167.377.300111.7C8 Y14 R18 W29 F30C8-M20 HydrophobicContact CB-CE 4.37Å; Y14-M20 HydrophobicContact CD2-SD 3.57Å; Y14-M20 VanDerWaalsContact CD2-SD 3.57Å; Y14-M20 HydrophobicContact CE2-SD 3.83Å; R18-M20 PolarHBondContact O-N 3.44Å; M20-W29 HydrophobicContact CB-CE3 3.94Å; M20-W29 HydrophobicContact CE-CB 3.89Å; M20-W29 VanDerWaalsContact CE-O 3.25Å; M20-W29 WeakPolarHBondContact CE-O 3.36Å; M20-F30 CarbonylContact C-O 3.58Å; M20-F30 WeakPolarHBondContact CA-O 3.28Å
21I89.6Confident87.5Confident20 Ų2069 Ų6910%0.10334%0.342CS..EExtended strand (participates in β ladder)trans-126.2136.4178-170.8167.9000110.9F19 F30 V37 A42 I45 Y48F19-I21 HydrophobicContact CE1-CB 4.49Å; F19-I21 HydrophobicContact CZ-CB 3.95Å; I21-F30 HydrophobicContact CG2-CB 4.43Å; I21-F30 PolarHBondContact N-O 3Å; I21-F30 PolarHBondContact O-N 3.44Å; I21-V37 HydrophobicContact CD1-CG1 4.26Å; I21-A42 HydrophobicContact CD1-CB 4Å; I21-I45 HydrophobicContact CD1-CD1 3.98Å; I21-Y48 HydrophobicContact CB-CD1 4.37Å; I21-Y48 HydrophobicContact CD1-CD1 4.16Å; I21-Y48 HydrophobicContact CD1-CD2 4.05Å; I21-Y48 HydrophobicContact CD1-CG 3.68Å; I21-Y48 HydrophobicContact CG1-CD1 3.89Å; I21-Y48 HydrophobicContact CG1-CG 3.9Å; I21-Y48 HydrophobicContact CG2-CD1 3.76Å; I21-Y48 HydrophobicContact CG2-CE1 3.67Å; I21-Y48 HydrophobicContact CG2-CG 4.25Å
22E91.4Very high87.3Confident85 Ų8562.5 Ų62.540%0.39732%0.318SS..EExtended strand (participates in β ladder)trans-83.4138.7178.5-172.4162.6-13200111.2W29 Y48E22-W29 HydrophobicContact CB-CD2 3.98Å; E22-W29 HydrophobicContact CB-CE3 4.41Å; E22-W29 HydrophobicContact CB-CG 4.44Å; E22-W29 HydrophobicContact CB-CH2 4.17Å; E22-W29 HydrophobicContact CB-CZ2 3.7Å; E22-W29 HydrophobicContact CB-CZ3 4.5Å; E22-W29 HydrophobicContact CG-CD2 4.48Å; E22-W29 HydrophobicContact CG-CZ2 4.14Å; E22-W29 PolarHBondContact OE1-NE1 2.98Å; E22-Y48 WeakPolarHBondContact O-CD1 3.32Å
23C90.4Very high87.4Confident0 Ų063.2 Ų63.20%033%0.329CS..  trans-90.1116.5174.6177.60000111.2I25 C26 Q27 D28 F30 Y48 C50C23-I25 PolarHBondContact O-N 3.02Å; C23-C26 PolarHBondContact O-N 3.34Å; C23-C26 VanDerWaalsContact SG-SG 3.61Å; C23-Q27 WeakPolarHBondContact O-CA 3.44Å; C23-Q27 PolarHBondContact O-N 3.01Å; C23-D28 PolarHBondContact N-O 3Å; C23-F30 HydrophobicContact CB-CD2 4.06Å; C23-F30 HydrophobicContact CB-CE2 3.64Å; C23-Y48 CarbonylContact C-O 3.52Å; C23-Y48 VanDerWaalsContact CA-O 3.29Å; C23-Y48 WeakPolarHBondContact CA-O 3.38Å; C23-Y48 HydrophobicContact CB-CD1 4.19Å; C23-Y48 HydrophobicContact CB-CE1 4.4Å; C23-C50 HydrophobicContact CB-CB 4.08Å; C23-C50 PolarHBondContact SG-N 2.81Å
24D90.1Very high87.5Confident74 Ų7462.1 Ų62.140%0.39632%0.323SS..THydrogen-bonded Turntrans-55.1-28-179-70-116.3000113.8Q47 Y48D24-Q47 HydrophobicContact CB-CB 4.28Å; D24-Q47 WeakPolarHBondContact OD2-CA 3.32Å; D24-Y48 PolarHBondContact N-O 3.37Å; D24-Y48 PolarHBondContact OD2-N 3.43Å
25I91.6Very high87.9Confident67 Ų6756.9 Ų56.934%0.34431%0.305SS..THydrogen-bonded Turntrans-81.7-50.5-178.7-54.6-53.4000112.3C23 C53 H57C23-I25 PolarHBondContact O-N 3.02Å; I25-C53 HydrophobicContact CB-CB 3.89Å; I25-C53 HydrophobicContact CG1-CB 4.08Å; I25-C53 HydrophobicContact CG2-CB 4Å; I25-H57 HydrophobicContact CD1-CB 4.06Å; I25-H57 HydrophobicContact CG1-CB 4.14Å; I25-H57 VanDerWaalsContact CG2-CD2 3.43Å; I25-H57 WeakPolarHBondContact CG2-CD2 3.35Å
26C90.9Very high88.1Confident58 Ų5857.1 Ų57.139%0.39232%0.321SS..THydrogen-bonded Turntrans-107.5-5.5-170.174.30000114.7C23 D28C23-C26 PolarHBondContact O-N 3.34Å; C23-C26 VanDerWaalsContact SG-SG 3.61Å; C26-D28 PolarHBondContact O-N 3.48Å; C26-D28 VanDerWaalsContact O-N 3.07Å
27Q88.3Confident88.5Confident150 Ų15052.1 Ų52.170%0.70129%0.291SS*.  trans54.228.1178-57.9177.20.900113.6C23C23-Q27 WeakPolarHBondContact O-CA 3.44Å; C23-Q27 PolarHBondContact O-N 3.01Å
28D89.2Confident88.8Confident24 Ų2449.9 Ų49.913%0.12827%0.272CS..  trans-100.4151.2169.8-166.9-8.6000108.4Y7 C8 R11 C23 C26 F30Y7-D28 WeakPolarHBondContact CA-OD1 3.34Å; C8-D28 PolarHBondContact N-OD1 3.48Å; R11-D28 IonicContact CZ-OD2 3.63Å; R11-D28 IonicContact NH1-OD2 2.7Å; R11-D28 PolarHBondContact NH1-OD2 3.5Å; R11-D28 IonicContact NH2-OD2 3.66Å; C23-D28 PolarHBondContact N-O 3Å; C26-D28 PolarHBondContact O-N 3.48Å; C26-D28 VanDerWaalsContact O-N 3.07Å; D28-F30 HydrophobicContact CB-CE2 3.79Å; D28-F30 HydrophobicContact CB-CZ 3.98Å; D28-F30 VanDerWaalsContact O-CD2 3.3Å; D28-F30 WeakPolarHBondContact O-CD2 3.3Å; D28-F30 WeakPolarHBondContact O-CE2 3.38Å
29W90.6Very high88.7Confident88 Ų8852.8 Ų52.833%0.33329%0.289SS..EExtended strand (participates in β ladder)trans-105129.1-173.7-78.366.7000110.1Y7 C8 M20 E22Y7-W29 WeakPolarHBondContact CB-O 3.41Å; Y7-W29 HydrophobicContact CD1-CB 3.94Å; Y7-W29 HydrophobicContact CD1-CG 4.45Å; Y7-W29 HydrophobicContact CG-CB 4.35Å; C8-W29 VanDerWaalsContact CA-O 3.22Å; C8-W29 WeakPolarHBondContact CA-O 3.37Å; C8-W29 VanDerWaalsContact CB-O 3.26Å; C8-W29 WeakPolarHBondContact CB-O 3.39Å; C8-W29 PolarHBondContact N-O 3.46Å; M20-W29 HydrophobicContact CB-CE3 3.94Å; M20-W29 HydrophobicContact CE-CB 3.89Å; M20-W29 VanDerWaalsContact CE-O 3.25Å; M20-W29 WeakPolarHBondContact CE-O 3.36Å; E22-W29 HydrophobicContact CB-CD2 3.98Å; E22-W29 HydrophobicContact CB-CE3 4.41Å; E22-W29 HydrophobicContact CB-CG 4.44Å; E22-W29 HydrophobicContact CB-CH2 4.17Å; E22-W29 HydrophobicContact CB-CZ2 3.7Å; E22-W29 HydrophobicContact CB-CZ3 4.5Å; E22-W29 HydrophobicContact CG-CD2 4.48Å; E22-W29 HydrophobicContact CG-CZ2 4.14Å; E22-W29 PolarHBondContact OE1-NE1 2.98Å
30F92.2Very high88Confident4 Ų453.3 Ų53.32%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-116.1125.5-173.2-64.1-93.8000110.6C8 L9 M20 I21 C23 D28 G32 V35 Y48 C50C8-F30 HydrophobicContact CB-CD1 4.43Å; L9-F30 HydrophobicContact CD2-CE1 3.91Å; L9-F30 HydrophobicContact CG-CD1 4.08Å; L9-F30 HydrophobicContact CG-CE1 3.88Å; M20-F30 CarbonylContact C-O 3.58Å; M20-F30 WeakPolarHBondContact CA-O 3.28Å; I21-F30 HydrophobicContact CG2-CB 4.43Å; I21-F30 PolarHBondContact N-O 3Å; I21-F30 PolarHBondContact O-N 3.44Å; C23-F30 HydrophobicContact CB-CD2 4.06Å; C23-F30 HydrophobicContact CB-CE2 3.64Å; D28-F30 HydrophobicContact CB-CE2 3.79Å; D28-F30 HydrophobicContact CB-CZ 3.98Å; D28-F30 VanDerWaalsContact O-CD2 3.3Å; D28-F30 WeakPolarHBondContact O-CD2 3.3Å; D28-F30 WeakPolarHBondContact O-CE2 3.38Å; F30-G32 PolarHBondContact O-N 2.83Å; F30-V35 HydrophobicContact CB-CG1 3.79Å; F30-V35 HydrophobicContact CB-CG2 4.12Å; F30-V35 HydrophobicContact CD1-CG1 3.76Å; F30-V35 HydrophobicContact CG-CG1 4.07Å; F30-Y48 HydrophobicContact CB-CE1 4.31Å; F30-Y48 HydrophobicContact CD2-CE1 4.04Å; F30-Y48 HydrophobicContact CG-CE1 4.33Å; F30-C50 HydrophobicContact CD1-CB 4.15Å; F30-C50 HydrophobicContact CD2-CB 3.86Å; F30-C50 HydrophobicContact CE1-CB 3.81Å; F30-C50 HydrophobicContact CE2-CB 3.49Å; F30-C50 VanDerWaalsContact CE2-CB 3.49Å; F30-C50 HydrophobicContact CG-CB 4.19Å; F30-C50 HydrophobicContact CZ-CB 3.48Å; F30-C50 VanDerWaalsContact CZ-CB 3.48Å; F30-C50 VanDerWaalsContact CZ-SG 3.51Å
31H90.1Very high87.4Confident1 Ų156.6 Ų56.61%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-58.8129.5168-55.2104.8000109C8 C10 F19 S33 C34C8-H31 PolarHBondContact SG-N 3.35Å; C8-H31 VanDerWaalsContact SG-N 3.41Å; C10-H31 PolarHBondContact SG-ND1 3.08Å; C10-H31 VanDerWaalsContact SG-ND1 3.42Å; F19-H31 WeakPolarHBondContact O-CA 3.46Å; H31-S33 PolarHBondContact O-N 3.43Å; H31-C34 HydrophobicContact CB-CB 4.13Å; H31-C34 WeakPolarHBondContact O-CA 3.31Å; H31-C34 WeakPolarHBondContact O-CB 3.42Å; H31-C34 PolarHBondContact O-N 3.06Å
32G86.1Confident86.9Confident1 Ų156.6 Ų56.61%0.0131%0.311CS..G310 helixtrans-55-41.3-177.700000113.1F19 F30 C34 V35 G36 V37F19-G32 PolarHBondContact O-N 3.24Å; F30-G32 PolarHBondContact O-N 2.83Å; G32-C34 PolarHBondContact O-N 3.12Å; G32-V35 CarbonylContact O-C 3.52Å; G32-V35 PolarHBondContact O-N 3.45Å; G32-G36 PolarHBondContact O-N 3.11Å; G32-V37 CarbonylContact C-O 3.56Å; G32-V37 VanDerWaalsContact C-O 3.26Å; G32-V37 WeakPolarHBondContact CA-O 3.27Å; G32-V37 PolarHBondContact O-N 3.06Å
33S89.3Confident86.1Confident95 Ų9555.5 Ų55.566%0.66432%0.317SS*.G310 helixtrans-63.5-16.6173.937.30000115.3R18 H31R18-S33 PolarHBondContact NH2-OG 2.97Å; H31-S33 PolarHBondContact O-N 3.43Å
34C88.7Confident85.5Confident47 Ų4759.9 Ų59.932%0.31834%0.337SS..G310 helixtrans-95.8-2.1175-65.20000113.3C8 H31 G32C8-C34 VanDerWaalsContact SG-CB 3.59Å; H31-C34 HydrophobicContact CB-CB 4.13Å; H31-C34 WeakPolarHBondContact O-CA 3.31Å; H31-C34 WeakPolarHBondContact O-CB 3.42Å; H31-C34 PolarHBondContact O-N 3.06Å; G32-C34 PolarHBondContact O-N 3.12Å
35V91.1Very high85.3Confident26 Ų2657.2 Ų57.216%0.15832%0.322CS..THydrogen-bonded Turntrans-138.58.1-177.1-63.20000114L9 F30 G32 V37 Y48 P51L9-V35 HydrophobicContact CD1-CG1 4.27Å; F30-V35 HydrophobicContact CB-CG1 3.79Å; F30-V35 HydrophobicContact CB-CG2 4.12Å; F30-V35 HydrophobicContact CD1-CG1 3.76Å; F30-V35 HydrophobicContact CG-CG1 4.07Å; G32-V35 CarbonylContact O-C 3.52Å; G32-V35 PolarHBondContact O-N 3.45Å; V35-V37 HydrophobicContact CG2-CB 4.2Å; V35-V37 HydrophobicContact CG2-CG2 4.02Å; V35-V37 PolarHBondContact O-N 3.28Å; V35-Y48 WeakPolarHBondContact CB-OH 3.32Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.5Å; V35-Y48 VanDerWaalsContact CG2-OH 3.23Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.43Å; V35-P51 HydrophobicContact CG1-CG 4.32Å
36G86.7Confident84.9Confident64 Ų6458 Ų5866%0.6633%0.327SS*.THydrogen-bonded Turntrans75.117.1178.300000115.3G32G32-G36 PolarHBondContact O-N 3.11Å
37V87.7Confident84.7Confident19 Ų1959.6 Ų59.612%0.11533%0.329CS..  trans-105.4111.1-179.8-179.60000109.9F19 I21 G32 V35 A42 I45 Y48F19-V37 HydrophobicContact CE1-CG1 4.23Å; I21-V37 HydrophobicContact CD1-CG1 4.26Å; G32-V37 CarbonylContact C-O 3.56Å; G32-V37 VanDerWaalsContact C-O 3.26Å; G32-V37 WeakPolarHBondContact CA-O 3.27Å; G32-V37 PolarHBondContact O-N 3.06Å; V35-V37 HydrophobicContact CG2-CB 4.2Å; V35-V37 HydrophobicContact CG2-CG2 4.02Å; V35-V37 PolarHBondContact O-N 3.28Å; V37-A42 HydrophobicContact CG1-CB 4.04Å; V37-I45 HydrophobicContact CG1-CD1 3.99Å; V37-I45 HydrophobicContact CG2-CD1 4.44Å; V37-Y48 HydrophobicContact CG2-CD2 4.48Å; V37-Y48 HydrophobicContact CG2-CE2 3.86Å
38E83.3Confident84.8Confident76 Ų7652.9 Ų52.936%0.35530%0.297SS..  trans-71.9152.9167.2-71.9136.4-133.300111.2D40 K41 A42E38-D40 VanDerWaalsContact C-N 3.26Å; E38-D40 PolarHBondContact O-N 3.4Å; E38-K41 HydrophobicContact CB-CB 4.42Å; E38-K41 HydrophobicContact CB-CD 4.15Å; E38-K41 HydrophobicContact CB-CG 4.26Å; E38-K41 PolarHBondContact O-N 3.14Å; E38-K41 IonicContact OE1-NZ 2.7Å; E38-K41 PolarHBondContact OE1-NZ 3.23Å; E38-K41 WeakPolarHBondContact OE2-CD 3.48Å; E38-K41 WeakPolarHBondContact OE2-CE 3.3Å; E38-K41 IonicContact OE2-NZ 3.83Å; E38-K41 PolarHBondContact OE2-NZ 2.98Å; E38-A42 PolarHBondContact O-N 3.06Å
39E81.1Confident84.9Confident136 Ų13652.4 Ų52.464%0.63629%0.294SS*.Hα-helixtrans-58-38.1177.7-172164.4-174.500112F19 K41 A42F19-E39 HydrophobicContact CB-CB 4.32Å; F19-E39 HydrophobicContact CD1-CB 4.05Å; F19-E39 HydrophobicContact CD2-CB 3.99Å; F19-E39 HydrophobicContact CD2-CG 3.71Å; F19-E39 HydrophobicContact CE2-CB 4.46Å; F19-E39 HydrophobicContact CE2-CG 4.19Å; F19-E39 HydrophobicContact CG-CB 3.81Å; F19-E39 HydrophobicContact CG-CG 4.02Å; E39-K41 PolarHBondContact O-N 2.96Å; E39-A42 WeakPolarHBondContact O-CB 3.24Å; E39-A42 PolarHBondContact O-N 2.73Å
40D72.1Confident85Confident68 Ų6848.3 Ų48.336%0.36428%0.279SS..Hα-helixtrans-62.6-36.9172.8-83.8-60000114.3E38 R170E38-D40 VanDerWaalsContact C-N 3.26Å; E38-D40 PolarHBondContact O-N 3.4Å; D40-R170 IonicContact OD1-CZ 2.7Å; D40-R170 IonicContact OD1-NH1 3.94Å; D40-R170 IonicContact OD1-NH2 3.22Å; D40-R170 PolarHBondContact OD1-NH2 3.41Å
41K74.5Confident85Confident86 Ų8650.6 Ų50.637%0.37429%0.294SS..Hα-helixtrans-76-32.8179.6-70.3171.6177.3156.40110.7E38 E39 A43 E44 I45E38-K41 HydrophobicContact CB-CB 4.42Å; E38-K41 HydrophobicContact CB-CD 4.15Å; E38-K41 HydrophobicContact CB-CG 4.26Å; E38-K41 PolarHBondContact O-N 3.14Å; E38-K41 IonicContact OE1-NZ 2.7Å; E38-K41 PolarHBondContact OE1-NZ 3.23Å; E38-K41 WeakPolarHBondContact OE2-CD 3.48Å; E38-K41 WeakPolarHBondContact OE2-CE 3.3Å; E38-K41 IonicContact OE2-NZ 3.83Å; E38-K41 PolarHBondContact OE2-NZ 2.98Å; E39-K41 PolarHBondContact O-N 2.96Å; K41-A43 VanDerWaalsContact C-N 3.26Å; K41-A43 PolarHBondContact O-N 3.21Å; K41-E44 PolarHBondContact O-N 3.2Å; K41-I45 PolarHBondContact O-N 3.11Å
42A78.9Confident85.1Confident19 Ų1955.5 Ų55.516%0.15732%0.321CS..Hα-helixtrans-60.3-32.4177.200000113.5F19 I21 V37 E38 E39 E44 I45F19-A42 HydrophobicContact CE1-CB 4.08Å; F19-A42 HydrophobicContact CE2-CB 4.05Å; F19-A42 HydrophobicContact CZ-CB 3.34Å; I21-A42 HydrophobicContact CD1-CB 4Å; V37-A42 HydrophobicContact CG1-CB 4.04Å; E38-A42 PolarHBondContact O-N 3.06Å; E39-A42 WeakPolarHBondContact O-CB 3.24Å; E39-A42 PolarHBondContact O-N 2.73Å; A42-E44 PolarHBondContact O-N 2.86Å; A42-I45 PolarHBondContact O-N 3.15Å
43A75.2Confident85.4Confident63 Ų6356.1 Ų56.152%0.52132%0.324SS..THydrogen-bonded Turntrans-63.1-21.5174.100000113.6K41 R63K41-A43 VanDerWaalsContact C-N 3.26Å; K41-A43 PolarHBondContact O-N 3.21Å; A43-R63 WeakPolarHBondContact O-CD 3.22Å; A43-R63 PolarHBondContact O-NH1 3.25Å
44E78.6Confident85.5Confident92 Ų9255.8 Ų55.843%0.4331%0.312SS..THydrogen-bonded Turntrans-96.5-5.4179.5-55.8-169-167.300113.2K41 A42 M62 R63 R170K41-E44 PolarHBondContact O-N 3.2Å; A42-E44 PolarHBondContact O-N 2.86Å; E44-M62 HydrophobicContact CB-CE 3.74Å; E44-M62 WeakPolarHBondContact O-CE 3.42Å; E44-R63 WeakPolarHBondContact O-CB 3.41Å; E44-R63 PolarHBondContact O-N 3.49Å; E44-R170 IonicContact OE1-NH1 2.8Å
45I84.8Confident85.6Confident17 Ų1759.6 Ų59.69%0.08733%0.334CS..EExtended strand (participates in β ladder)trans-87.6138.3174-57.7172.2000109.2I21 V37 K41 A42 Q47 Y48 P60 M62 R63I21-I45 HydrophobicContact CD1-CD1 3.98Å; V37-I45 HydrophobicContact CG1-CD1 3.99Å; V37-I45 HydrophobicContact CG2-CD1 4.44Å; K41-I45 PolarHBondContact O-N 3.11Å; A42-I45 PolarHBondContact O-N 3.15Å; I45-Q47 WeakPolarHBondContact CG2-O 3.42Å; I45-Y48 HydrophobicContact CD1-CD2 4.18Å; I45-P60 HydrophobicContact CG2-CB 4.33Å; I45-M62 HydrophobicContact CG1-CE 4.24Å; I45-M62 HydrophobicContact CG1-SD 3.8Å; I45-R63 PolarHBondContact O-NE 3Å
46D83.1Confident85.5Confident84 Ų8463.1 Ų63.145%0.44936%0.356SS..EExtended strand (participates in β ladder)trans-99.5-40.8174.4-127.72.5000111.1V61 R63D46-V61 WeakPolarHBondContact CA-O 3.32Å; D46-V61 WeakPolarHBondContact CB-O 3.35Å; D46-V61 PolarHBondContact N-O 3.3Å; D46-R63 HydrophobicContact CB-CB 4.4Å; D46-R63 HydrophobicContact CB-CG 3.63Å; D46-R63 WeakPolarHBondContact OD1-CG 3.4Å; D46-R63 IonicContact OD1-NE 3.75Å; D46-R63 PolarHBondContact OD1-NE 3.36Å; D46-R63 VanDerWaalsContact OD1-NE 3.12Å
47Q86.9Confident85.4Confident91 Ų9165 Ų6543%0.42535%0.347SS..EExtended strand (participates in β ladder)trans-137.9121.3174.2-49.7-175.2-70.700108.2D24 I45 P60 V61D24-Q47 HydrophobicContact CB-CB 4.28Å; D24-Q47 WeakPolarHBondContact OD2-CA 3.32Å; I45-Q47 WeakPolarHBondContact CG2-O 3.42Å; Q47-P60 CarbonylContact O-C 3.58Å; Q47-P60 WeakPolarHBondContact O-CA 3.36Å; Q47-V61 HydrophobicContact CB-CB 3.99Å; Q47-V61 HydrophobicContact CB-CG2 4.21Å; Q47-V61 HydrophobicContact CG-CB 4.32Å; Q47-V61 PolarHBondContact N-O 2.98Å; Q47-V61 PolarHBondContact O-N 3.5Å
48Y90.7Very high85.4Confident10 Ų1065.4 Ų65.44%0.03936%0.355CS..  trans-94.7127.2-178.2174.2-112.9000110.8I21 E22 C23 D24 F30 V35 V37 I45 C50 P60I21-Y48 HydrophobicContact CB-CD1 4.37Å; I21-Y48 HydrophobicContact CD1-CD1 4.16Å; I21-Y48 HydrophobicContact CD1-CD2 4.05Å; I21-Y48 HydrophobicContact CD1-CG 3.68Å; I21-Y48 HydrophobicContact CG1-CD1 3.89Å; I21-Y48 HydrophobicContact CG1-CG 3.9Å; I21-Y48 HydrophobicContact CG2-CD1 3.76Å; I21-Y48 HydrophobicContact CG2-CE1 3.67Å; I21-Y48 HydrophobicContact CG2-CG 4.25Å; E22-Y48 WeakPolarHBondContact O-CD1 3.32Å; C23-Y48 CarbonylContact C-O 3.52Å; C23-Y48 VanDerWaalsContact CA-O 3.29Å; C23-Y48 WeakPolarHBondContact CA-O 3.38Å; C23-Y48 HydrophobicContact CB-CD1 4.19Å; C23-Y48 HydrophobicContact CB-CE1 4.4Å; D24-Y48 PolarHBondContact N-O 3.37Å; D24-Y48 PolarHBondContact OD2-N 3.43Å; F30-Y48 HydrophobicContact CB-CE1 4.31Å; F30-Y48 HydrophobicContact CD2-CE1 4.04Å; F30-Y48 HydrophobicContact CG-CE1 4.33Å; V35-Y48 WeakPolarHBondContact CB-OH 3.32Å; V35-Y48 WeakPolarHBondContact CG1-OH 3.5Å; V35-Y48 VanDerWaalsContact CG2-OH 3.23Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.43Å; V37-Y48 HydrophobicContact CG2-CD2 4.48Å; V37-Y48 HydrophobicContact CG2-CE2 3.86Å; I45-Y48 HydrophobicContact CD1-CD2 4.18Å; Y48-C50 HydrophobicContact CE1-CB 3.97Å; Y48-C50 WeakPolarHBondContact OH-CA 3.47Å; Y48-P60 HydrophobicContact CD2-CB 4.21Å
49H91.9Very high85.6Confident14 Ų1466.1 Ų66.17%0.06537%0.366CS..  trans-109120.3171.4-60171.6000108.1G58 P59H49-G58 PolarHBondContact ND1-O 3Å; H49-P59 PolarHBondContact ND1-O 3.38Å
50C91.4Very high85.8Confident1 Ų161.3 Ų61.31%0.00735%0.347CS..  trans-69.7161.8175.875.10000111.5C23 F30 Y48 N52 C53 Q54C23-C50 HydrophobicContact CB-CB 4.08Å; C23-C50 PolarHBondContact SG-N 2.81Å; F30-C50 HydrophobicContact CD1-CB 4.15Å; F30-C50 HydrophobicContact CD2-CB 3.86Å; F30-C50 HydrophobicContact CE1-CB 3.81Å; F30-C50 HydrophobicContact CE2-CB 3.49Å; F30-C50 VanDerWaalsContact CE2-CB 3.49Å; F30-C50 HydrophobicContact CG-CB 4.19Å; F30-C50 HydrophobicContact CZ-CB 3.48Å; F30-C50 VanDerWaalsContact CZ-CB 3.48Å; F30-C50 VanDerWaalsContact CZ-SG 3.51Å; Y48-C50 HydrophobicContact CE1-CB 3.97Å; Y48-C50 WeakPolarHBondContact OH-CA 3.47Å; C50-N52 PolarHBondContact O-N 2.8Å; C50-C53 CarbonylContact O-C 3.55Å; C50-C53 PolarHBondContact O-N 2.86Å; C50-C53 VanDerWaalsContact SG-SG 3.62Å; C50-Q54 PolarHBondContact O-N 3.44Å
51P92.4Very high86.4Confident52 Ų5260.3 Ų60.334%0.33834%0.343SS..Hα-helixtrans-51.6-35.7-174.1-31.136.7000114.9V35V35-P51 HydrophobicContact CG1-CG 4.32Å
52N92.5Very high86.7Confident105 Ų10560.8 Ų60.856%0.56135%0.348SS*.Hα-helixtrans-70.2-43.1177.1-62-5.2000112.1C50 Q54C50-N52 PolarHBondContact O-N 2.8Å; N52-Q54 VanDerWaalsContact C-N 3.34Å
53C91.8Very high86.5Confident13 Ų1366.4 Ų66.49%0.08837%0.365CS..Hα-helixtrans-75.3-24.4178.7-65.50000112.6I25 C50 V55 T56 H57I25-C53 HydrophobicContact CB-CB 3.89Å; I25-C53 HydrophobicContact CG1-CB 4.08Å; I25-C53 HydrophobicContact CG2-CB 4Å; C50-C53 CarbonylContact O-C 3.55Å; C50-C53 PolarHBondContact O-N 2.86Å; C50-C53 VanDerWaalsContact SG-SG 3.62Å; C53-V55 PolarHBondContact O-N 2.89Å; C53-T56 PolarHBondContact O-N 3.07Å; C53-T56 PolarHBondContact O-OG1 3.38Å; C53-H57 WeakPolarHBondContact O-CB 3.45Å; C53-H57 PolarHBondContact O-CD2 3.23Å; C53-H57 PolarHBondContact O-N 3.03Å
54Q91.2Very high85.4Confident88 Ų8871.5 Ų71.541%0.41138%0.375SS..Hα-helixtrans-61.6-30.9176.2171.7167.2-14.200112.5C50 N52 T56 G58C50-Q54 PolarHBondContact O-N 3.44Å; N52-Q54 VanDerWaalsContact C-N 3.34Å; Q54-T56 VanDerWaalsContact C-N 3.34Å; Q54-T56 PolarHBondContact O-N 3.18Å; Q54-G58 WeakPolarHBondContact CA-O 3.45Å; Q54-G58 CarbonylContact O-C 3.54Å; Q54-G58 VanDerWaalsContact O-CA 3.27Å; Q54-G58 WeakPolarHBondContact O-CA 3.4Å; Q54-G58 PolarHBondContact O-N 2.99Å
55V90.7Very high84Confident127 Ų12777.3 Ų77.377%0.7739%0.393SS*.Hα-helixtrans-66-34.7176.7-176.30000112C53C53-V55 PolarHBondContact O-N 2.89Å
56T90.1Very high82Confident101 Ų10188.6 Ų88.662%0.6244%0.435SS*.Hα-helixtrans-104.5-20.7-174.854.10000114.7C53 Q54C53-T56 PolarHBondContact O-N 3.07Å; C53-T56 PolarHBondContact O-OG1 3.38Å; Q54-T56 VanDerWaalsContact C-N 3.34Å; Q54-T56 PolarHBondContact O-N 3.18Å
57H84.8Confident79.9Confident104 Ų10488.4 Ų88.448%0.48145%0.452SS..Hα-helixtrans-123.23.5-177-54.5-75.2000114I25 C53I25-H57 HydrophobicContact CD1-CB 4.06Å; I25-H57 HydrophobicContact CG1-CB 4.14Å; I25-H57 VanDerWaalsContact CG2-CD2 3.43Å; I25-H57 WeakPolarHBondContact CG2-CD2 3.35Å; C53-H57 WeakPolarHBondContact O-CB 3.45Å; C53-H57 PolarHBondContact O-CD2 3.23Å; C53-H57 PolarHBondContact O-N 3.03Å
58G86.4Confident77.6Confident27 Ų2786.5 Ų86.528%0.27846%0.458SS..  trans79.8175.6-178.100000113.6H49 Q54H49-G58 PolarHBondContact ND1-O 3Å; Q54-G58 WeakPolarHBondContact CA-O 3.45Å; Q54-G58 CarbonylContact O-C 3.54Å; Q54-G58 VanDerWaalsContact O-CA 3.27Å; Q54-G58 WeakPolarHBondContact O-CA 3.4Å; Q54-G58 PolarHBondContact O-N 2.99Å
59P87.9Confident75Confident91 Ų9192.8 Ų92.859%0.59149%0.492SS*.SBendtrans-61.8159.3-177.927.1-35.7000113H49H49-P59 PolarHBondContact ND1-O 3.38Å
60P85.8Confident72.6Confident35 Ų35100.6 Ų100.623%0.22753%0.526CS..  trans-53.6140.5176.521.7-34.2000112.4I45 Q47 Y48 M62I45-P60 HydrophobicContact CG2-CB 4.33Å; Q47-P60 CarbonylContact O-C 3.58Å; Q47-P60 WeakPolarHBondContact O-CA 3.36Å; Y48-P60 HydrophobicContact CD2-CB 4.21Å; P60-M62 PolarHBondContact O-N 3.44Å
61V84.3Confident70Confident46 Ų46108.4 Ų108.428%0.27956%0.562SS.*EExtended strand (participates in β ladder)trans-82102.4179.8-172.70000108.8D46 Q47D46-V61 WeakPolarHBondContact CA-O 3.32Å; D46-V61 WeakPolarHBondContact CB-O 3.35Å; D46-V61 PolarHBondContact N-O 3.3Å; Q47-V61 HydrophobicContact CB-CB 3.99Å; Q47-V61 HydrophobicContact CB-CG2 4.21Å; Q47-V61 HydrophobicContact CG-CB 4.32Å; Q47-V61 PolarHBondContact N-O 2.98Å; Q47-V61 PolarHBondContact O-N 3.5Å
62M80.6Confident67Low97 Ų97110.7 Ų110.748%0.47858%0.575SS.*EExtended strand (participates in β ladder)trans-62146.7171.1-59.3-56.2-70.300111.3E44 I45 P60 K64E44-M62 HydrophobicContact CB-CE 3.74Å; E44-M62 WeakPolarHBondContact O-CE 3.42Å; I45-M62 HydrophobicContact CG1-CE 4.24Å; I45-M62 HydrophobicContact CG1-SD 3.8Å; P60-M62 PolarHBondContact O-N 3.44Å; M62-K64 PolarHBondContact O-N 3.45Å
63R76.2Confident64.6Low136 Ų136113.5 Ų113.551%0.51359%0.59SS.*  trans-53.9110.5177.1-93.2168.6174.8158.57.4111.1A43 E44 I45 D46 R65A43-R63 WeakPolarHBondContact O-CD 3.22Å; A43-R63 PolarHBondContact O-NH1 3.25Å; E44-R63 WeakPolarHBondContact O-CB 3.41Å; E44-R63 PolarHBondContact O-N 3.49Å; I45-R63 PolarHBondContact O-NE 3Å; D46-R63 HydrophobicContact CB-CB 4.4Å; D46-R63 HydrophobicContact CB-CG 3.63Å; D46-R63 WeakPolarHBondContact OD1-CG 3.4Å; D46-R63 IonicContact OD1-NE 3.75Å; D46-R63 PolarHBondContact OD1-NE 3.36Å; D46-R63 VanDerWaalsContact OD1-NE 3.12Å; R63-R65 PolarHBondContact O-N 2.96Å
64K52Low61.7Low170 Ų170115.3 Ų115.374%0.73961%0.611SS**  trans-61.9101.8171.4-75177.8179.5168.90108.1M62 R66M62-K64 PolarHBondContact O-N 3.45Å; K64-R66 PolarHBondContact O-N 3.23Å
65R48.3Very low59.3Low215 Ų215119.1 Ų119.181%0.81163%0.634SS**  trans-49.298.3172.1-77.1-175.2174.6179.30.5109.2R63 G67 G68R63-R65 PolarHBondContact O-N 2.96Å; R65-G67 VanDerWaalsContact C-N 3.29Å; R65-G67 PolarHBondContact O-N 3.46Å; R65-G68 PolarHBondContact O-N 3.21Å
66R42.9Very low56.7Low253 Ų253119 Ų11996%0.95563%0.634SS**THydrogen-bonded Turntrans-71.690.2171.2-66-168.1-174.2-1544.2107.5K64K64-R66 PolarHBondContact O-N 3.23Å
67G39.8Very low54.4Low80 Ų80118.4 Ų118.483%0.82565%0.648SS**THydrogen-bonded Turntrans132.3-7.9-165.500000114.2R65 N69R65-G67 VanDerWaalsContact C-N 3.29Å; R65-G67 PolarHBondContact O-N 3.46Å; G67-N69 VanDerWaalsContact C-N 3.34Å; G67-N69 PolarHBondContact O-N 3.01Å; G67-N69 VanDerWaalsContact O-N 3.07Å
68G37.4Very low52.4Low52 Ų52119 Ų11954%0.53666%0.659SS.*  trans-7878.8169.500000111.4R65R65-G68 PolarHBondContact O-N 3.21Å
69N36.1Very low50.6Low141 Ų141122.3 Ų122.375%0.75468%0.684SS**  trans-67.3137.6164.6-152.239.6000108.4G67 Q71G67-N69 VanDerWaalsContact C-N 3.34Å; G67-N69 PolarHBondContact O-N 3.01Å; G67-N69 VanDerWaalsContact O-N 3.07Å; N69-Q71 PolarHBondContact O-N 3.01Å; N69-Q71 VanDerWaalsContact O-N 3.11Å
70K41.2Very low49Very low178 Ų178126.4 Ų126.477%0.77469%0.687SS**  trans-58.5118.6178.7-77.1-175.5175.7-176.80109.7T72K70-T72 PolarHBondContact O-N 3.46Å
71Q37.7Very low47.2Very low166 Ų166129.2 Ų129.278%0.77670%0.7SS**  trans-93.861.8160.3-163.3170.3-7.100109.4N69N69-Q71 PolarHBondContact O-N 3.01Å; N69-Q71 VanDerWaalsContact O-N 3.11Å
72T30.3Very low45.9Very low100 Ų100133.1 Ų133.161%0.61373%0.727SS**  trans-67.3133.614941.10000107.5K70 G74K70-T72 PolarHBondContact O-N 3.46Å; T72-G74 PolarHBondContact O-N 3.3Å; T72-G74 VanDerWaalsContact O-N 3.07Å
73D41.5Very low45.1Very low163 Ų163132.6 Ų132.687%0.87273%0.733SS**SBendtrans-57.8115.2176.4-67-66.4000110.5
74G31.4Very low45Very low52 Ų52133.9 Ų133.954%0.53674%0.742SS.*  trans-175.844.6-156.900000115.2T72 T76T72-G74 PolarHBondContact O-N 3.3Å; T72-G74 VanDerWaalsContact O-N 3.07Å; G74-T76 PolarHBondContact O-N 3.15Å; G74-T76 PolarHBondContact O-OG1 3.08Å; G74-T76 VanDerWaalsContact O-OG1 3.13Å
75N40Very low46.5Very low167 Ų167129 Ų12989%0.89373%0.728SS**  trans13.772.9160.2-169.976.4000117.3
76T35.2Very low48.6Very low125 Ų125120.5 Ų120.577%0.76770%0.7SS**  trans-145.4126.3167370000110.8G74 V78G74-T76 PolarHBondContact O-N 3.15Å; G74-T76 PolarHBondContact O-OG1 3.08Å; G74-T76 VanDerWaalsContact O-OG1 3.13Å; T76-V78 PolarHBondContact O-N 3.32Å
77G42.7Very low50.9Low89 Ų89114.5 Ų114.592%0.91868%0.68SS**  trans-85.591.1-176.600000112.8
78V42.1Very low53.5Low115 Ų115110.9 Ų110.970%0.69764%0.642SS**PPolyproline II helixtrans-89.5118170.2-177.90000109.4T76T76-V78 PolarHBondContact O-N 3.32Å
79A49.1Very low56.1Low97 Ų97108.5 Ų108.580%0.80262%0.618SS**PPolyproline II helixtrans-62.9141.3177.300000111.2
80R54.7Low58.8Low177 Ų177102.8 Ų102.867%0.66859%0.589SS**PPolyproline II helixtrans-93.3151.4-172.6-148.1172.5-173.5-169.1-6.8111.1P82R80-P82 WeakPolarHBondContact O-CD 3.46Å
81D48Very low61.3Low94 Ų9498.4 Ų98.450%0.50358%0.579SS.*  trans-60.3113.3161.1175.92.8000108.9S83D81-S83 VanDerWaalsContact C-N 3.25Å; D81-S83 VanDerWaalsContact CG-OG 3.22Å; D81-S83 PolarHBondContact O-N 2.96Å; D81-S83 VanDerWaalsContact OD1-CB 3.22Å; D81-S83 WeakPolarHBondContact OD1-CB 3.38Å; D81-S83 PolarHBondContact OD1-N 3.32Å; D81-S83 PolarHBondContact OD1-OG 3.35Å; D81-S83 PolarHBondContact OD2-OG 3.42Å
82P56.8Low64Low128 Ų12892.1 Ų92.183%0.83155%0.55SS*.THydrogen-bonded Turntrans-80.1-3.5-177.1-11.529.9000113.6R80 K84R80-P82 WeakPolarHBondContact O-CD 3.46Å; P82-K84 PolarHBondContact O-N 2.66Å
83S63.8Low67.2Low87 Ų8787.9 Ų87.961%0.60852%0.523SS*.THydrogen-bonded Turntrans-78.5-16.5-167.768.10000115.2D81D81-S83 VanDerWaalsContact C-N 3.25Å; D81-S83 VanDerWaalsContact CG-OG 3.22Å; D81-S83 PolarHBondContact O-N 2.96Å; D81-S83 VanDerWaalsContact OD1-CB 3.22Å; D81-S83 WeakPolarHBondContact OD1-CB 3.38Å; D81-S83 PolarHBondContact OD1-N 3.32Å; D81-S83 PolarHBondContact OD1-OG 3.35Å; D81-S83 PolarHBondContact OD2-OG 3.42Å
84K73.8Confident69.8Low162 Ų16280.3 Ų80.370%0.70448%0.482SS*.SBendtrans-105.9125.7-173.4-63.3-176.6-175.4177.10111.3P82P82-K84 PolarHBondContact O-N 2.66Å
85P84.4Confident72.9Confident69 Ų6985.6 Ų85.645%0.44849%0.486SS..PPolyproline II helixtrans-67.8161.7179.530.1-35.9000111.8E296P85-E296 HydrophobicContact CB-CB 4.05Å; P85-E296 HydrophobicContact CG-CB 3.85Å; P85-E296 VanDerWaalsContact CG-CD 3.41Å; P85-E296 HydrophobicContact CG-CG 3.91Å; P85-E296 WeakPolarHBondContact CG-OE2 3.06Å
86V91.9Very high75.6Confident36 Ų3680.8 Ų80.822%0.21846%0.458CS..PPolyproline II helixtrans-82.4123.4-178.7-170.90000109.2Q92 F93V86-Q92 HydrophobicContact CG1-CB 4.03Å; V86-Q92 VanDerWaalsContact CG1-CD 3.5Å; V86-Q92 HydrophobicContact CG1-CG 3.7Å; V86-Q92 HydrophobicContact CG2-CG 4.44Å; V86-F93 HydrophobicContact CG1-CB 3.94Å
87K91.6Very high78.5Confident126 Ų12674.9 Ų74.955%0.54842%0.422SS..PPolyproline II helixtrans-75.7134.7177.7-67.9-161171.3-1620112.3S90 F93 N295K87-S90 VanDerWaalsContact O-CB 3.28Å; K87-S90 WeakPolarHBondContact O-CB 3.23Å; K87-S90 PolarHBondContact O-N 2.9Å; K87-S90 PolarHBondContact O-OG 2.69Å; K87-F93 VanDerWaalsContact O-CB 3.26Å; K87-F93 WeakPolarHBondContact O-CB 3.49Å; K87-N295 CarbonylContact C-O 3.51Å; K87-N295 VanDerWaalsContact CA-O 3.26Å; K87-N295 WeakPolarHBondContact CA-O 3.44Å
88T93.1Very high81Confident4 Ų474.9 Ų74.93%0.02539%0.394CS..THydrogen-bonded Turntrans-46142.1170.9-61.80000111.3S90 F93 Q171 Y249 D251 N295T88-S90 PolarHBondContact O-N 3.03Å; T88-F93 HydrophobicContact CG2-CE1 4.38Å; T88-F93 HydrophobicContact CG2-CE2 4.46Å; T88-F93 HydrophobicContact CG2-CZ 4.16Å; T88-Q171 HydrophobicContact CG2-CG 3.95Å; T88-Y249 HydrophobicContact CG2-CD1 4.08Å; T88-Y249 HydrophobicContact CG2-CE1 3.65Å; T88-D251 HydrophobicContact CG2-CB 3.93Å; T88-D251 WeakPolarHBondContact CG2-OD2 3.45Å; T88-N295 PolarHBondContact N-O 2.91Å; T88-N295 PolarHBondContact OG1-O 3.47Å
89G92.1Very high83.5Confident2 Ų273.8 Ų73.82%0.02139%0.392CS..THydrogen-bonded Turntrans72.1-12.4176.500000116V168G89-V168 CarbonylContact C-O 3.58Å; G89-V168 VanDerWaalsContact CA-O 3.26Å; G89-V168 WeakPolarHBondContact CA-O 3.09Å
90S94.1Very high85.8Confident22 Ų2272.7 Ų72.715%0.15437%0.367CS..SBendtrans-63.8154.9176.869.90000113.2K87 T88 Q92 F93 V94K87-S90 VanDerWaalsContact O-CB 3.28Å; K87-S90 WeakPolarHBondContact O-CB 3.23Å; K87-S90 PolarHBondContact O-N 2.9Å; K87-S90 PolarHBondContact O-OG 2.69Å; T88-S90 PolarHBondContact O-N 3.03Å; S90-Q92 CarbonylContact O-C 3.56Å; S90-Q92 PolarHBondContact O-N 3.12Å; S90-F93 WeakPolarHBondContact O-CB 3.25Å; S90-F93 PolarHBondContact O-N 2.74Å; S90-F93 WeakPolarHBondContact OG-CB 3.37Å; S90-F93 PolarHBondContact OG-N 2.74Å; S90-V94 PolarHBondContact O-N 3.47Å
91P93.8Very high87.7Confident85 Ų8571 Ų7155%0.55238%0.376SS*.THydrogen-bonded Turntrans-62.6-9.7175.8-25.335.4000115.2R95P91-R95 WeakPolarHBondContact O-CG 3.44Å; P91-R95 PolarHBondContact O-NE 2.92Å
92Q94.6Very high90.1Very high35 Ų3568.6 Ų68.616%0.16436%0.361CS..THydrogen-bonded Turntrans-82.1-53.5164.7176.1-175.5-3.900110.9V86 S90 V94 R95 E96V86-Q92 HydrophobicContact CG1-CB 4.03Å; V86-Q92 VanDerWaalsContact CG1-CD 3.5Å; V86-Q92 HydrophobicContact CG1-CG 3.7Å; V86-Q92 HydrophobicContact CG2-CG 4.44Å; S90-Q92 CarbonylContact O-C 3.56Å; S90-Q92 PolarHBondContact O-N 3.12Å; Q92-V94 PolarHBondContact O-N 2.72Å; Q92-R95 WeakPolarHBondContact O-CA 3.46Å; Q92-R95 WeakPolarHBondContact O-CB 3.45Å; Q92-R95 PolarHBondContact O-N 3.31Å; Q92-E96 HydrophobicContact CG-CG 4.43Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.4Å; Q92-E96 PolarHBondContact NE2-OE1 3.36Å; Q92-E96 PolarHBondContact O-N 2.89Å
93F96.3Very high92Very high11 Ų1164.4 Ų64.45%0.04833%0.334CS..Hα-helixtrans-51.2-44.5179.4170.8-89.2000111.6V86 K87 T88 S90 R95 E96 L97 Y249 F298V86-F93 HydrophobicContact CG1-CB 3.94Å; K87-F93 VanDerWaalsContact O-CB 3.26Å; K87-F93 WeakPolarHBondContact O-CB 3.49Å; T88-F93 HydrophobicContact CG2-CE1 4.38Å; T88-F93 HydrophobicContact CG2-CE2 4.46Å; T88-F93 HydrophobicContact CG2-CZ 4.16Å; S90-F93 WeakPolarHBondContact O-CB 3.25Å; S90-F93 PolarHBondContact O-N 2.74Å; S90-F93 WeakPolarHBondContact OG-CB 3.37Å; S90-F93 PolarHBondContact OG-N 2.74Å; F93-R95 PolarHBondContact O-N 3.46Å; F93-E96 PolarHBondContact O-N 2.82Å; F93-L97 HydrophobicContact CE1-CD2 3.84Å; F93-L97 HydrophobicContact CZ-CD2 4.29Å; F93-L97 WeakPolarHBondContact O-CB 3.39Å; F93-L97 PolarHBondContact O-N 3.15Å; F93-Y249 HydrophobicContact CD1-CD1 4.47Å; F93-Y249 AromaticContact CE1-CD1 3.62Å; F93-Y249 HydrophobicContact CE1-CD1 3.62Å; F93-Y249 HydrophobicContact CE1-CD2 4.05Å; F93-Y249 AromaticContact CE1-CE1 3.43Å; F93-Y249 HydrophobicContact CE1-CE1 3.43Å; F93-Y249 VanDerWaalsContact CE1-CE1 3.43Å; F93-Y249 AromaticContact CE1-CE2 3.89Å; F93-Y249 HydrophobicContact CE1-CE2 3.89Å; F93-Y249 AromaticContact CE1-CG 3.92Å; F93-Y249 HydrophobicContact CE1-CG 3.92Å; F93-Y249 AromaticContact CE1-CZ 3.57Å; F93-Y249 HydrophobicContact CZ-CD1 4.28Å; F93-Y249 AromaticContact CZ-CE1 3.62Å; F93-Y249 HydrophobicContact CZ-CE1 3.62Å; F93-Y249 HydrophobicContact CZ-CE2 4.21Å; F93-Y249 AromaticContact CZ-CZ 3.57Å; F93-F298 HydrophobicContact CE2-CB 4.46Å; F93-F298 AromaticContact CE2-CD2 3.83Å; F93-F298 HydrophobicContact CE2-CD2 3.83Å; F93-F298 AromaticContact CZ-CD2 3.79Å; F93-F298 HydrophobicContact CZ-CD2 3.79Å; F93-F298 HydrophobicContact CZ-CE2 4.26Å
94V96.2Very high93.6Very high4 Ų464 Ų642%0.02433%0.325CS..Hα-helixtrans-66.3-36.1179-178.80000112.4S90 Q92 R98 D247 L328S90-V94 PolarHBondContact O-N 3.47Å; Q92-V94 PolarHBondContact O-N 2.72Å; V94-R98 WeakPolarHBondContact O-CB 3.35Å; V94-R98 VanDerWaalsContact O-CG 3.25Å; V94-R98 WeakPolarHBondContact O-CG 3.13Å; V94-R98 PolarHBondContact O-N 2.96Å; V94-D247 HydrophobicContact CG1-CB 3.96Å; V94-D247 WeakPolarHBondContact CG1-OD1 3.38Å; V94-L328 HydrophobicContact CG1-CD1 3.69Å
95R96.1Very high94.7Very high163 Ų16356.3 Ų56.362%0.61529%0.292SS*.Hα-helixtrans-66.7-42.5173.9-76.3-176.6-69.9160.9-1.5111.8P91 Q92 F93 R98 S99P91-R95 WeakPolarHBondContact O-CG 3.44Å; P91-R95 PolarHBondContact O-NE 2.92Å; Q92-R95 WeakPolarHBondContact O-CA 3.46Å; Q92-R95 WeakPolarHBondContact O-CB 3.45Å; Q92-R95 PolarHBondContact O-N 3.31Å; F93-R95 PolarHBondContact O-N 3.46Å; R95-R98 PolarHBondContact O-N 3.3Å; R95-S99 PolarHBondContact O-N 3.21Å
96E96.3Very high95.1Very high66 Ų6657.1 Ų57.131%0.30829%0.292SS..Hα-helixtrans-64.5-46175.2-72.2173-164.400111.1Q92 F93 R98 S99 R100Q92-E96 HydrophobicContact CG-CG 4.43Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.4Å; Q92-E96 PolarHBondContact NE2-OE1 3.36Å; Q92-E96 PolarHBondContact O-N 2.89Å; F93-E96 PolarHBondContact O-N 2.82Å; E96-R98 VanDerWaalsContact C-N 3.32Å; E96-R98 PolarHBondContact O-N 3.25Å; E96-S99 WeakPolarHBondContact CA-OG 3.34Å; E96-S99 CarbonylContact O-C 3.59Å; E96-S99 WeakPolarHBondContact O-CA 3.39Å; E96-S99 PolarHBondContact O-N 3.39Å; E96-S99 PolarHBondContact O-OG 3.45Å; E96-R100 WeakPolarHBondContact O-CG 3.45Å; E96-R100 PolarHBondContact O-N 3.11Å
97L97Very high95.3Very high1 Ų161.6 Ų61.61%0.00531%0.311CS..Hα-helixtrans-58.5-38.4176-177.559.7000113.6F93 S99 F102 Y249 Y273 F298 L328F93-L97 HydrophobicContact CE1-CD2 3.84Å; F93-L97 HydrophobicContact CZ-CD2 4.29Å; F93-L97 WeakPolarHBondContact O-CB 3.39Å; F93-L97 PolarHBondContact O-N 3.15Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.11Å; L97-F102 HydrophobicContact CD1-CE2 4.22Å; L97-F102 HydrophobicContact CD1-CZ 3.9Å; L97-Y249 HydrophobicContact CD2-CD2 3.57Å; L97-Y249 HydrophobicContact CD2-CE2 3.34Å; L97-Y273 HydrophobicContact CD1-CE1 3.91Å; L97-Y273 HydrophobicContact CD1-CE2 4.04Å; L97-Y273 HydrophobicContact CD2-CE2 3.99Å; L97-Y273 HydrophobicContact CG-CE2 4.18Å; L97-F298 HydrophobicContact CD1-CD2 4.48Å; L97-F298 HydrophobicContact CD1-CE2 3.52Å; L97-F298 HydrophobicContact CD1-CZ 3.68Å; L97-L328 HydrophobicContact CD2-CB 4.39Å; L97-L328 HydrophobicContact CD2-CD2 4.31Å; L97-L328 HydrophobicContact CG-CD2 4.45Å
98R95.6Very high95.5Very high89 Ų8957.2 Ų57.234%0.33629%0.293SS..Hα-helixtrans-68-27.3173.1-75172.8175.7-88.816.6113.1V94 R95 E96 D247 L328 P330V94-R98 WeakPolarHBondContact O-CB 3.35Å; V94-R98 VanDerWaalsContact O-CG 3.25Å; V94-R98 WeakPolarHBondContact O-CG 3.13Å; V94-R98 PolarHBondContact O-N 2.96Å; R95-R98 PolarHBondContact O-N 3.3Å; E96-R98 VanDerWaalsContact C-N 3.32Å; E96-R98 PolarHBondContact O-N 3.25Å; R98-D247 IonicContact CZ-OD1 3.69Å; R98-D247 IonicContact NE-OD1 3.99Å; R98-D247 PolarHBondContact NE-OD1 3.07Å; R98-D247 IonicContact NH2-OD1 3.21Å; R98-D247 PolarHBondContact NH2-OD1 3.02Å; R98-D247 IonicContact NH2-OD2 2.72Å; R98-L328 HydrophobicContact CG-CD2 3.89Å; R98-P330 PolarHBondContact NH2-O 2.93Å
99S95.3Very high95.6Very high92 Ų9257.9 Ų57.964%0.64330%0.297SS*.Hα-helixtrans-90.7-21.3179.272.20000114.8R95 E96 L97R95-S99 PolarHBondContact O-N 3.21Å; E96-S99 WeakPolarHBondContact CA-OG 3.34Å; E96-S99 CarbonylContact O-C 3.59Å; E96-S99 WeakPolarHBondContact O-CA 3.39Å; E96-S99 PolarHBondContact O-N 3.39Å; E96-S99 PolarHBondContact O-OG 3.45Å; L97-S99 VanDerWaalsContact C-N 3.3Å; L97-S99 PolarHBondContact O-N 3.11Å
100R95.7Very high95.9Very high74 Ų7459.9 Ų59.928%0.27931%0.306SS..  trans-62.9138.9178.2-80166.1173.9-105.79.5111.6E96 F102 F298 D301E96-R100 WeakPolarHBondContact O-CG 3.45Å; E96-R100 PolarHBondContact O-N 3.11Å; R100-F102 HydrophobicContact CB-CD2 4.27Å; R100-F102 HydrophobicContact CB-CE2 3.42Å; R100-F102 VanDerWaalsContact CB-CE2 3.42Å; R100-F102 HydrophobicContact CB-CZ 3.84Å; R100-F102 VanDerWaalsContact O-CD2 3.32Å; R100-F102 WeakPolarHBondContact O-CD2 3.25Å; R100-F102 WeakPolarHBondContact O-CE2 3.34Å; R100-F298 VanDerWaalsContact NH1-CD1 3.33Å; R100-D301 IonicContact CZ-OD1 2.86Å; R100-D301 IonicContact CZ-OD2 3.55Å; R100-D301 VanDerWaalsContact CZ-OD2 3.31Å; R100-D301 IonicContact NH1-OD1 2.83Å; R100-D301 PolarHBondContact NH1-OD1 3.29Å; R100-D301 IonicContact NH1-OD2 2.66Å; R100-D301 PolarHBondContact NH1-OD2 3.07Å; R100-D301 IonicContact NH2-OD2 3.82Å; R100-D301 PolarHBondContact NH2-OD2 2.96Å
101T96.1Very high96Very high141 Ų14163.5 Ų63.587%0.86532%0.319SS*.  trans-89.3136.7175.251.50000111.2
102F97.3Very high96.2Very high43 Ų4360 Ų6019%0.18930%0.297CS..  trans-137.8149.7-179.8-63.6-92000109.9L97 R100 Y273 F298 C306 R308L97-F102 HydrophobicContact CD1-CE2 4.22Å; L97-F102 HydrophobicContact CD1-CZ 3.9Å; R100-F102 HydrophobicContact CB-CD2 4.27Å; R100-F102 HydrophobicContact CB-CE2 3.42Å; R100-F102 VanDerWaalsContact CB-CE2 3.42Å; R100-F102 HydrophobicContact CB-CZ 3.84Å; R100-F102 VanDerWaalsContact O-CD2 3.32Å; R100-F102 WeakPolarHBondContact O-CD2 3.25Å; R100-F102 WeakPolarHBondContact O-CE2 3.34Å; F102-Y273 HydrophobicContact CD1-CD1 4.08Å; F102-Y273 HydrophobicContact CD1-CE1 4.39Å; F102-Y273 HydrophobicContact CD2-CD1 4.28Å; F102-Y273 AromaticContact CD2-CE1 3.79Å; F102-Y273 HydrophobicContact CD2-CE1 3.79Å; F102-Y273 AromaticContact CE1-CD1 3.8Å; F102-Y273 HydrophobicContact CE1-CD1 3.8Å; F102-Y273 HydrophobicContact CE1-CE1 4.08Å; F102-Y273 HydrophobicContact CE2-CD1 4.02Å; F102-Y273 AromaticContact CE2-CE1 3.42Å; F102-Y273 HydrophobicContact CE2-CE1 3.42Å; F102-Y273 VanDerWaalsContact CE2-CE1 3.42Å; F102-Y273 HydrophobicContact CG-CD1 4.31Å; F102-Y273 HydrophobicContact CG-CE1 4.26Å; F102-Y273 AromaticContact CZ-CD1 3.77Å; F102-Y273 HydrophobicContact CZ-CD1 3.77Å; F102-Y273 AromaticContact CZ-CE1 3.59Å; F102-Y273 HydrophobicContact CZ-CE1 3.59Å; F102-F298 AromaticContact CE1-CE1 3.78Å; F102-F298 HydrophobicContact CE1-CE1 3.78Å; F102-F298 AromaticContact CE1-CZ 3.84Å; F102-F298 HydrophobicContact CE1-CZ 3.84Å; F102-F298 AromaticContact CZ-CE1 3.86Å; F102-F298 HydrophobicContact CZ-CE1 3.86Å; F102-F298 AromaticContact CZ-CZ 3.69Å; F102-F298 HydrophobicContact CZ-CZ 3.69Å; F102-C306 HydrophobicContact CD1-CB 4.41Å; F102-R308 HydrophobicContact CB-CB 3.69Å; F102-R308 HydrophobicContact CG-CB 4.23Å
103P97.1Very high96.3Very high40 Ų4061 Ų6126%0.2631%0.308SS..  trans-58.7152.8165.226.4-34.5000111M305 C306 Y307 R308P103-M305 HydrophobicContact CB-CE 3.75Å; P103-M305 HydrophobicContact CG-CE 3.71Å; P103-M305 HydrophobicContact CG-SD 4.4Å; P103-C306 VanDerWaalsContact CD-O 3.3Å; P103-C306 WeakPolarHBondContact CD-O 3.48Å; P103-C306 WeakPolarHBondContact CG-O 3.49Å; P103-Y307 HydrophobicContact CB-CD1 4.01Å; P103-Y307 HydrophobicContact CB-CE1 4.24Å; P103-Y307 HydrophobicContact CG-CD1 4.03Å; P103-Y307 HydrophobicContact CG-CE1 4.36Å; P103-Y307 HydrophobicContact CG-CG 4.47Å; P103-R308 PolarHBondContact O-N 3.22Å
104N96.6Very high96.3Very high80 Ų8060.8 Ų60.843%0.42831%0.308SS..BIsolated β-bridgetrans-86.9131.9-175-173.6-8.4000109.6D106 E107N104-D106 PolarHBondContact O-N 3.34Å; N104-D106 PolarHBondContact OD1-N 2.8Å; N104-D106 VanDerWaalsContact OD1-N 3.07Å; N104-E107 PolarHBondContact N-OE1 3.22Å; N104-E107 WeakPolarHBondContact O-CB 3.38Å; N104-E107 WeakPolarHBondContact O-CG 3.35Å; N104-E107 PolarHBondContact O-N 2.93Å
105A96.6Very high96.3Very high0 Ų064.1 Ų64.10%034%0.336CS..G310 helixtrans-59.7-19.2175.600000113.2E107 I108 L109 L274 R308 C309A105-E107 PolarHBondContact O-N 2.88Å; A105-I108 WeakPolarHBondContact O-CG1 3.15Å; A105-I108 PolarHBondContact O-N 3.08Å; A105-L109 HydrophobicContact CB-CD1 3.76Å; A105-L109 HydrophobicContact CB-CG 3.97Å; A105-L109 WeakPolarHBondContact O-CB 3.21Å; A105-L109 VanDerWaalsContact O-CG 3.22Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 3.37Å; A105-L274 HydrophobicContact CB-CD1 4.34Å; A105-R308 WeakPolarHBondContact CB-O 3.39Å; A105-R308 PolarHBondContact N-O 3.33Å; A105-C309 HydrophobicContact CB-CB 3.55Å
106D94.6Very high96.4Very high86 Ų8661.8 Ų61.846%0.4633%0.332SS..G310 helixtrans-55.3-18.5170.8-79.313.5000114.5N104 I108 K111N104-D106 PolarHBondContact O-N 3.34Å; N104-D106 PolarHBondContact OD1-N 2.8Å; N104-D106 VanDerWaalsContact OD1-N 3.07Å; D106-I108 VanDerWaalsContact C-N 3.31Å; D106-K111 VanDerWaalsContact OD1-CE 3.28Å; D106-K111 WeakPolarHBondContact OD1-CE 3.49Å; D106-K111 IonicContact OD1-NZ 3.84Å; D106-K111 PolarHBondContact OD1-NZ 3.47Å; D106-K111 IonicContact OD2-NZ 3.9Å; D106-K111 PolarHBondContact OD2-NZ 3.39Å
107E94.6Very high96.4Very high130 Ų13059.2 Ų59.261%0.60732%0.32SS*.G310 helixtrans-72.9-20.9172.8-63.4166.5-130.800113.3N104 A105 Y307N104-E107 PolarHBondContact N-OE1 3.22Å; N104-E107 WeakPolarHBondContact O-CB 3.38Å; N104-E107 WeakPolarHBondContact O-CG 3.35Å; N104-E107 PolarHBondContact O-N 2.93Å; A105-E107 PolarHBondContact O-N 2.88Å; E107-Y307 HydrophobicContact CB-CE1 4.4Å
108I95.9Very high96.4Very high34 Ų3461.7 Ų61.717%0.17434%0.336CS..THydrogen-bonded Turntrans-125.1-16.5-176.360161.2000114.6A105 D106 Y307 W323A105-I108 WeakPolarHBondContact O-CG1 3.15Å; A105-I108 PolarHBondContact O-N 3.08Å; D106-I108 VanDerWaalsContact C-N 3.31Å; I108-Y307 HydrophobicContact CD1-CD1 4.28Å; I108-Y307 HydrophobicContact CD1-CD2 3.63Å; I108-Y307 HydrophobicContact CD1-CE2 4.04Å; I108-Y307 HydrophobicContact CD1-CG 3.76Å; I108-Y307 HydrophobicContact CG1-CD1 4.23Å; I108-Y307 HydrophobicContact CG1-CD2 4.43Å; I108-Y307 HydrophobicContact CG1-CE1 4.5Å; I108-Y307 HydrophobicContact CG1-CG 4.2Å; I108-Y307 HydrophobicContact CG2-CD1 4.38Å; I108-Y307 HydrophobicContact CG2-CE1 3.81Å; I108-Y307 HydrophobicContact CG2-CE2 4.16Å; I108-W323 HydrophobicContact CD1-CH2 3.66Å; I108-W323 HydrophobicContact CD1-CZ3 3.73Å
109L96.2Very high96.4Very high18 Ų1858.8 Ų58.89%0.09433%0.328CS..  trans-74.3126.2-175.4-78.8171.8000112.4A105 K111 P130 M132 L317A105-L109 HydrophobicContact CB-CD1 3.76Å; A105-L109 HydrophobicContact CB-CG 3.97Å; A105-L109 WeakPolarHBondContact O-CB 3.21Å; A105-L109 VanDerWaalsContact O-CG 3.22Å; A105-L109 WeakPolarHBondContact O-CG 3.47Å; A105-L109 PolarHBondContact O-N 3.37Å; L109-K111 HydrophobicContact CB-CG 4.45Å; L109-P130 HydrophobicContact CD2-CB 3.9Å; L109-P130 WeakPolarHBondContact CD2-O 3.37Å; L109-M132 HydrophobicContact CD1-CB 4.1Å; L109-M132 HydrophobicContact CD1-CE 4.5Å; L109-M132 HydrophobicContact CD2-CB 4.05Å; L109-M132 HydrophobicContact CG-CB 4.49Å; L109-L317 HydrophobicContact CD2-CD1 4.12Å
110L97.3Very high96.4Very high43 Ų4359.4 Ų59.423%0.22532%0.324CS..BIsolated β-bridgetrans-77.6133.2162.6-63.4175.2000109.3P112 F121 H125 V129 P130 V131 M132L110-P112 WeakPolarHBondContact O-CD 3.45Å; L110-F121 HydrophobicContact CB-CZ 4.35Å; L110-F121 HydrophobicContact CD1-CE1 4.43Å; L110-F121 HydrophobicContact CD1-CZ 4.12Å; L110-H125 HydrophobicContact CD1-CB 3.9Å; L110-V129 HydrophobicContact CD1-CG2 3.78Å; L110-V129 HydrophobicContact CG-CG2 3.75Å; L110-P130 PolarHBondContact N-O 3.39Å; L110-V131 HydrophobicContact CB-CG1 4.34Å; L110-V131 HydrophobicContact CB-CG2 4.32Å; L110-V131 CarbonylContact O-C 3.29Å; L110-V131 WeakPolarHBondContact O-CA 3.14Å; L110-M132 PolarHBondContact O-N 2.86Å
111K97.1Very high96.4Very high99 Ų9957.6 Ų57.643%0.4332%0.318SS..  trans-121.961.2-176.4-62.4-174.4-179.9-174.50113.8D106 L109 M132D106-K111 VanDerWaalsContact OD1-CE 3.28Å; D106-K111 WeakPolarHBondContact OD1-CE 3.49Å; D106-K111 IonicContact OD1-NZ 3.84Å; D106-K111 PolarHBondContact OD1-NZ 3.47Å; D106-K111 IonicContact OD2-NZ 3.9Å; D106-K111 PolarHBondContact OD2-NZ 3.39Å; L109-K111 HydrophobicContact CB-CG 4.45Å; K111-M132 WeakPolarHBondContact CA-O 3.26Å; K111-M132 HydrophobicContact CG-CB 4.34Å
112P97.4Very high96.4Very high11 Ų1151.1 Ų51.17%0.07128%0.278CS..  trans-71.3156.8174.232.7-34.7000111.4L110 Q116 L117 F121 V131 V133L110-P112 WeakPolarHBondContact O-CD 3.45Å; P112-Q116 HydrophobicContact CB-CB 3.87Å; P112-L117 HydrophobicContact CG-CB 4.44Å; P112-L117 HydrophobicContact CG-CD1 4.46Å; P112-F121 HydrophobicContact CB-CE1 4.35Å; P112-F121 HydrophobicContact CB-CZ 4.11Å; P112-F121 HydrophobicContact CG-CE1 3.96Å; P112-F121 HydrophobicContact CG-CZ 4.02Å; P112-V131 VanDerWaalsContact CD-CG1 3.41Å; P112-V131 HydrophobicContact CG-CG1 3.49Å; P112-V131 VanDerWaalsContact CG-CG1 3.49Å; P112-V133 HydrophobicContact CG-CG2 4.24Å
113S97.6Very high96.2Very high57 Ų5752.7 Ų52.740%0.39929%0.286SS..  trans-70.3159.5159650000110.7A115 Q116 L117S113-A115 PolarHBondContact O-N 3.05Å; S113-A115 VanDerWaalsContact O-N 3.15Å; S113-Q116 WeakPolarHBondContact O-CB 3.39Å; S113-Q116 PolarHBondContact O-N 3.22Å; S113-Q116 WeakPolarHBondContact OG-CG 3.32Å; S113-Q116 PolarHBondContact OG-OE1 2.87Å; S113-L117 PolarHBondContact O-N 3.22Å
114G96.2Very high95.9Very high5 Ų558.3 Ų58.35%0.05231%0.309CS..THydrogen-bonded Turntrans-59.4-30.4-178.100000114L117 D137 G138G114-L117 PolarHBondContact O-N 3.44Å; G114-D137 WeakPolarHBondContact CA-O 3.27Å; G114-D137 PolarHBondContact N-O 2.87Å; G114-G138 CarbonylContact O-C 3.56Å
115A96.7Very high95.5Very high74 Ų7457.7 Ų57.761%0.61230%0.303SS*.THydrogen-bonded Turntrans-73.6-21.7174.900000114.1S113S113-A115 PolarHBondContact O-N 3.05Å; S113-A115 VanDerWaalsContact O-N 3.15Å
116Q97.2Very high95.1Very high114 Ų11460.5 Ų60.553%0.53332%0.323SS..THydrogen-bonded Turntrans-86.6-15.6175.4-72166.1-60.400112.8P112 S113 T118 F121P112-Q116 HydrophobicContact CB-CB 3.87Å; S113-Q116 WeakPolarHBondContact O-CB 3.39Å; S113-Q116 PolarHBondContact O-N 3.22Å; S113-Q116 WeakPolarHBondContact OG-CG 3.32Å; S113-Q116 PolarHBondContact OG-OE1 2.87Å; Q116-T118 PolarHBondContact O-N 3.41Å; Q116-F121 WeakPolarHBondContact O-CB 3.44Å
117L97.1Very high95.2Very high13 Ų1356.6 Ų56.67%0.06830%0.302CS..  trans-78.771.7179.7-172.553.8000111.2P112 S113 G114 F121 L122 V131 V133 L139 I215 F318P112-L117 HydrophobicContact CG-CB 4.44Å; P112-L117 HydrophobicContact CG-CD1 4.46Å; S113-L117 PolarHBondContact O-N 3.22Å; G114-L117 PolarHBondContact O-N 3.44Å; L117-F121 HydrophobicContact CD1-CD1 3.87Å; L117-F121 HydrophobicContact CD1-CE1 4.09Å; L117-L122 HydrophobicContact CD1-CD1 4.09Å; L117-L122 HydrophobicContact CD1-CD2 3.81Å; L117-L122 HydrophobicContact CD1-CG 3.93Å; L117-V131 HydrophobicContact CD1-CG1 4.26Å; L117-V133 HydrophobicContact CD2-CG2 3.98Å; L117-L139 HydrophobicContact CB-CD2 4.39Å; L117-L139 HydrophobicContact CD2-CD2 3.8Å; L117-I215 HydrophobicContact CD2-CG2 3.98Å; L117-I215 HydrophobicContact CG-CB 4.38Å; L117-I215 HydrophobicContact CG-CG1 4.29Å; L117-I215 HydrophobicContact CG-CG2 4.1Å; L117-F318 HydrophobicContact CD2-CD2 3.82Å; L117-F318 HydrophobicContact CD2-CE1 4.44Å; L117-F318 HydrophobicContact CD2-CE2 3.44Å; L117-F318 VanDerWaalsContact CD2-CE2 3.44Å; L117-F318 HydrophobicContact CD2-CG 4.47Å; L117-F318 HydrophobicContact CD2-CZ 3.79Å
118T96.8Very high95.2Very high53 Ų5353.5 Ų53.533%0.32530%0.295SS..  trans-94173177.967.40000112Q116 F121 L122Q116-T118 PolarHBondContact O-N 3.41Å; T118-F121 WeakPolarHBondContact OG1-CB 3.17Å; T118-F121 PolarHBondContact OG1-N 3.26Å; T118-L122 PolarHBondContact O-N 2.85Å
119V95.8Very high95.2Very high27 Ų2753.8 Ų53.816%0.16430%0.297CS..Hα-helixtrans-64-47.9170.61740000109.2F121 L122 E123 I215 K218 L219V119-F121 VanDerWaalsContact C-N 3.31Å; V119-F121 PolarHBondContact O-N 3.47Å; V119-L122 CarbonylContact O-C 3.51Å; V119-L122 WeakPolarHBondContact O-CA 3.49Å; V119-L122 PolarHBondContact O-N 2.62Å; V119-E123 HydrophobicContact CG1-CG 4.2Å; V119-E123 PolarHBondContact O-N 3.24Å; V119-I215 HydrophobicContact CB-CD1 4.49Å; V119-I215 HydrophobicContact CG2-CD1 3.77Å; V119-K218 HydrophobicContact CG2-CB 4.08Å; V119-K218 HydrophobicContact CG2-CD 3.84Å; V119-L219 HydrophobicContact CG1-CD2 4.31Å; V119-L219 HydrophobicContact CG2-CD2 4.22Å
120D95.1Very high95.3Very high106 Ų10652.9 Ų52.957%0.56729%0.293SS*.Hα-helixtrans-53.7-45.7179.6-34.6-8000111.5L122 E123 E124D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 3.31Å; D120-E123 PolarHBondContact O-N 3.08Å; D120-E124 WeakPolarHBondContact O-CG 3.33Å; D120-E124 PolarHBondContact O-N 3.42Å
121F95.9Very high95.4Very high36 Ų3650.9 Ų50.916%0.15828%0.283CS..Hα-helixtrans-59.6-39.8174.7173.1-95.6000112.5L110 P112 Q116 L117 T118 V119 H125L110-F121 HydrophobicContact CB-CZ 4.35Å; L110-F121 HydrophobicContact CD1-CE1 4.43Å; L110-F121 HydrophobicContact CD1-CZ 4.12Å; P112-F121 HydrophobicContact CB-CE1 4.35Å; P112-F121 HydrophobicContact CB-CZ 4.11Å; P112-F121 HydrophobicContact CG-CE1 3.96Å; P112-F121 HydrophobicContact CG-CZ 4.02Å; Q116-F121 WeakPolarHBondContact O-CB 3.44Å; L117-F121 HydrophobicContact CD1-CD1 3.87Å; L117-F121 HydrophobicContact CD1-CE1 4.09Å; T118-F121 WeakPolarHBondContact OG1-CB 3.17Å; T118-F121 PolarHBondContact OG1-N 3.26Å; V119-F121 VanDerWaalsContact C-N 3.31Å; V119-F121 PolarHBondContact O-N 3.47Å; F121-H125 AromaticContact CD2-CE1 3.87Å; F121-H125 AromaticContact CD2-ND1 3.88Å; F121-H125 AromaticContact CE2-CE1 3.63Å; F121-H125 AromaticContact CE2-ND1 3.8Å; F121-H125 PolarHBondContact O-N 3.43Å; F121-H125 PolarHBondContact O-ND1 2.91Å
122L95.4Very high95.4Very high4 Ų446.5 Ų46.52%0.02126%0.264CS..Hα-helixtrans-77.8-26.3177.2-68.8-175.6000113.2L117 T118 V119 D120 S126 F127 V131 I215 L219 L344L117-L122 HydrophobicContact CD1-CD1 4.09Å; L117-L122 HydrophobicContact CD1-CD2 3.81Å; L117-L122 HydrophobicContact CD1-CG 3.93Å; T118-L122 PolarHBondContact O-N 2.85Å; V119-L122 CarbonylContact O-C 3.51Å; V119-L122 WeakPolarHBondContact O-CA 3.49Å; V119-L122 PolarHBondContact O-N 2.62Å; D120-L122 VanDerWaalsContact C-N 3.32Å; D120-L122 PolarHBondContact O-N 3.31Å; L122-S126 CarbonylContact O-C 3.57Å; L122-S126 VanDerWaalsContact O-C 3.31Å; L122-S126 WeakPolarHBondContact O-CA 3.23Å; L122-S126 PolarHBondContact O-N 3.46Å; L122-F127 HydrophobicContact CB-CB 4.27Å; L122-F127 HydrophobicContact CD1-CD1 4.28Å; L122-F127 HydrophobicContact CD1-CG 4.33Å; L122-F127 HydrophobicContact CD2-CB 4Å; L122-F127 HydrophobicContact CD2-CD2 3.95Å; L122-F127 HydrophobicContact CD2-CG 3.96Å; L122-F127 PolarHBondContact O-N 2.99Å; L122-V131 HydrophobicContact CD2-CG2 4.36Å; L122-I215 HydrophobicContact CD1-CD1 4Å; L122-I215 HydrophobicContact CD1-CG1 3.61Å; L122-L219 HydrophobicContact CD1-CD1 3.8Å; L122-L344 HydrophobicContact CB-CD1 3.92Å
123E92.6Very high95.5Very high77 Ų7746 Ų4636%0.3626%0.261SS..Hα-helixtrans-67.3-47.1169-70.3-171.2172.100110.9V119 D120 H125 S126 L344 Y398V119-E123 HydrophobicContact CG1-CG 4.2Å; V119-E123 PolarHBondContact O-N 3.24Å; D120-E123 PolarHBondContact O-N 3.08Å; E123-H125 VanDerWaalsContact C-N 3.32Å; E123-H125 PolarHBondContact O-N 3.24Å; E123-S126 PolarHBondContact O-N 2.8Å; E123-S126 VanDerWaalsContact O-N 3.11Å; E123-L344 HydrophobicContact CG-CD2 4.09Å; E123-Y398 HydrophobicContact CB-CE1 4.37Å; E123-Y398 HydrophobicContact CG-CE1 3.89Å; E123-Y398 PolarHBondContact OE1-OH 3.5Å
124E91.2Very high95.5Very high157 Ų15748 Ų4873%0.73427%0.266SS*.Hα-helixtrans-57.3-42.4177.9-74.9-17816500112.5D120D120-E124 WeakPolarHBondContact O-CG 3.33Å; D120-E124 PolarHBondContact O-N 3.42Å
125H89.1Confident95.4Very high67 Ų6756 Ų5631%0.3130%0.295SS..THydrogen-bonded Turntrans-94.53.6179.6-58.981.3000113.2L110 F121 E123 F127 S128L110-H125 HydrophobicContact CD1-CB 3.9Å; F121-H125 AromaticContact CD2-CE1 3.87Å; F121-H125 AromaticContact CD2-ND1 3.88Å; F121-H125 AromaticContact CE2-CE1 3.63Å; F121-H125 AromaticContact CE2-ND1 3.8Å; F121-H125 PolarHBondContact O-N 3.43Å; F121-H125 PolarHBondContact O-ND1 2.91Å; E123-H125 VanDerWaalsContact C-N 3.32Å; E123-H125 PolarHBondContact O-N 3.24Å; H125-F127 PolarHBondContact O-N 3.06Å; H125-S128 PolarHBondContact O-N 2.99Å; H125-S128 VanDerWaalsContact O-N 3.15Å; H125-S128 PolarHBondContact O-OG 3.45Å
126S87.3Confident95.3Very high59 Ų5958 Ų5841%0.41329%0.286SS..THydrogen-bonded Turntrans48.823.5-174-56.60000115.2L122 E123 S128L122-S126 CarbonylContact O-C 3.57Å; L122-S126 VanDerWaalsContact O-C 3.31Å; L122-S126 WeakPolarHBondContact O-CA 3.23Å; L122-S126 PolarHBondContact O-N 3.46Å; E123-S126 PolarHBondContact O-N 2.8Å; E123-S126 VanDerWaalsContact O-N 3.11Å; S126-S128 PolarHBondContact O-N 3.23Å; S126-S128 VanDerWaalsContact O-N 3.13Å
127F95.8Very high95.2Very high5 Ų556.5 Ų56.52%0.02228%0.282CS..THydrogen-bonded Turntrans35.650.3-166.5-169.2-163.6000112.4L122 H125 V131 F318 P320 F340 H342 L344L122-F127 HydrophobicContact CB-CB 4.27Å; L122-F127 HydrophobicContact CD1-CD1 4.28Å; L122-F127 HydrophobicContact CD1-CG 4.33Å; L122-F127 HydrophobicContact CD2-CB 4Å; L122-F127 HydrophobicContact CD2-CD2 3.95Å; L122-F127 HydrophobicContact CD2-CG 3.96Å; L122-F127 PolarHBondContact O-N 2.99Å; H125-F127 PolarHBondContact O-N 3.06Å; F127-V131 HydrophobicContact CD2-CG2 4.1Å; F127-V131 HydrophobicContact CE2-CG2 3.96Å; F127-F318 HydrophobicContact CE2-CB 4.24Å; F127-F318 HydrophobicContact CZ-CB 4Å; F127-P320 HydrophobicContact CD1-CB 4.41Å; F127-P320 HydrophobicContact CD2-CB 3.79Å; F127-P320 HydrophobicContact CD2-CG 3.87Å; F127-P320 HydrophobicContact CE1-CB 4.32Å; F127-P320 HydrophobicContact CE2-CB 3.7Å; F127-P320 HydrophobicContact CE2-CG 3.64Å; F127-P320 HydrophobicContact CG-CB 4.14Å; F127-P320 HydrophobicContact CZ-CB 3.96Å; F127-P320 HydrophobicContact CZ-CG 4.28Å; F127-P320 WeakPolarHBondContact O-CB 3.31Å; F127-F340 HydrophobicContact CE1-CZ 4.07Å; F127-H342 AromaticContact CD1-CD2 3.89Å; F127-H342 AromaticContact CD1-NE2 3.26Å; F127-H342 VanDerWaalsContact CD1-NE2 3.26Å; F127-H342 WeakPolarHBondContact CD1-NE2 3.47Å; F127-H342 AromaticContact CE1-NE2 3.65Å; F127-L344 HydrophobicContact CB-CD1 3.66Å; F127-L344 HydrophobicContact CD1-CD1 4.23Å; F127-L344 HydrophobicContact CG-CD1 4.47Å
128S94.6Very high95.1Very high65 Ų6558.3 Ų58.346%0.45530%0.304SS..  trans-88.7-20.5-170.153.90000114.5H125 S126 W323H125-S128 PolarHBondContact O-N 2.99Å; H125-S128 VanDerWaalsContact O-N 3.15Å; H125-S128 PolarHBondContact O-OG 3.45Å; S126-S128 PolarHBondContact O-N 3.23Å; S126-S128 VanDerWaalsContact O-N 3.13Å; S128-W323 PolarHBondContact O-NE1 3.17Å
129V97.2Very high95.2Very high39 Ų3956 Ų5624%0.23629%0.289CS..SBendtrans-129155.5-179.7-640000110.9L110 P320 W323L110-V129 HydrophobicContact CD1-CG2 3.78Å; L110-V129 HydrophobicContact CG-CG2 3.75Å; V129-P320 VanDerWaalsContact C-CG 3.41Å; V129-P320 WeakPolarHBondContact O-CG 3.42Å; V129-W323 HydrophobicContact CB-CZ2 4.38Å; V129-W323 HydrophobicContact CG1-CZ2 4.17Å
130P98.3Very high95.2Very high0 Ų056.4 Ų56.40%030%0.299CS..  trans-66.8150.3-176.7-16.931.7000112.6L109 L110 L274 L317 F318 P320 W323L109-P130 HydrophobicContact CD2-CB 3.9Å; L109-P130 WeakPolarHBondContact CD2-O 3.37Å; L110-P130 PolarHBondContact N-O 3.39Å; P130-L274 HydrophobicContact CG-CD1 4.23Å; P130-L317 HydrophobicContact CB-CD1 4.16Å; P130-F318 VanDerWaalsContact CA-O 3.31Å; P130-F318 WeakPolarHBondContact CA-O 3.47Å; P130-F318 WeakPolarHBondContact CB-O 3.35Å; P130-P320 HydrophobicContact CG-CG 4.45Å; P130-W323 HydrophobicContact CG-CD2 4Å; P130-W323 HydrophobicContact CG-CE3 3.91Å; P130-W323 HydrophobicContact CG-CH2 4.26Å; P130-W323 HydrophobicContact CG-CZ2 4.35Å; P130-W323 HydrophobicContact CG-CZ3 4.04Å
131V98.5Very high95.3Very high1 Ų152.4 Ų52.41%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-120.9123.6-172.5-171.20000109.6L110 P112 L117 L122 F127 V133 L317 F318L110-V131 HydrophobicContact CB-CG1 4.34Å; L110-V131 HydrophobicContact CB-CG2 4.32Å; L110-V131 CarbonylContact O-C 3.29Å; L110-V131 WeakPolarHBondContact O-CA 3.14Å; P112-V131 VanDerWaalsContact CD-CG1 3.41Å; P112-V131 HydrophobicContact CG-CG1 3.49Å; P112-V131 VanDerWaalsContact CG-CG1 3.49Å; L117-V131 HydrophobicContact CD1-CG1 4.26Å; L122-V131 HydrophobicContact CD2-CG2 4.36Å; F127-V131 HydrophobicContact CD2-CG2 4.1Å; F127-V131 HydrophobicContact CE2-CG2 3.96Å; V131-V133 HydrophobicContact CG1-CG2 4.36Å; V131-L317 CarbonylContact O-C 2.95Å; V131-F318 HydrophobicContact CB-CB 4.24Å; V131-F318 PolarHBondContact N-O 3.38Å; V131-F318 PolarHBondContact O-N 3.46Å
132M98.4Very high95.4Very high7 Ų754.6 Ų54.63%0.03429%0.294CS..EExtended strand (participates in β ladder)trans-110.8114.5-178171.669.779.100110.3L109 L110 K111 L134 C309 S310 V311 N315L109-M132 HydrophobicContact CD1-CB 4.1Å; L109-M132 HydrophobicContact CD1-CE 4.5Å; L109-M132 HydrophobicContact CD2-CB 4.05Å; L109-M132 HydrophobicContact CG-CB 4.49Å; L110-M132 PolarHBondContact O-N 2.86Å; K111-M132 WeakPolarHBondContact CA-O 3.26Å; K111-M132 HydrophobicContact CG-CB 4.34Å; M132-L134 HydrophobicContact CG-CD2 3.78Å; M132-L134 HydrophobicContact SD-CD2 4.26Å; M132-C309 VanDerWaalsContact CE-SG 3.55Å; M132-S310 WeakPolarHBondContact CE-O 3.36Å; M132-V311 HydrophobicContact CE-CG2 4.01Å; M132-N315 HydrophobicContact SD-CB 3.85Å
133V98.4Very high95.5Very high1 Ų155.1 Ų55.11%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-109.1110.2178.5-172.90000109.3P112 L117 V131 R135 L139 T316 F318P112-V133 HydrophobicContact CG-CG2 4.24Å; L117-V133 HydrophobicContact CD2-CG2 3.98Å; V131-V133 HydrophobicContact CG1-CG2 4.36Å; V133-R135 VanDerWaalsContact C-N 3.28Å; V133-R135 WeakPolarHBondContact CG1-O 3.4Å; V133-R135 PolarHBondContact O-N 3.21Å; V133-L139 HydrophobicContact CB-CD1 4.28Å; V133-L139 HydrophobicContact CB-CD2 4.48Å; V133-L139 HydrophobicContact CG1-CD1 4.05Å; V133-L139 HydrophobicContact CG1-CD2 4.15Å; V133-L139 HydrophobicContact CG1-CG 4.15Å; V133-L139 HydrophobicContact CG2-CD2 4.27Å; V133-T316 PolarHBondContact N-O 2.83Å; V133-T316 PolarHBondContact O-N 2.85Å; V133-F318 HydrophobicContact CG2-CD2 4.35Å; V133-F318 HydrophobicContact CG2-CE2 4Å
134L97.2Very high95.7Very high97 Ų9751.7 Ų51.751%0.50828%0.281SS..SBendtrans-75.4-8.9-169.3-57.9176.8000115M132M132-L134 HydrophobicContact CG-CD2 3.78Å; M132-L134 HydrophobicContact SD-CD2 4.26Å
135R94.8Very high95.9Very high174 Ų17447.9 Ų47.966%0.65727%0.269SS*.SBendtrans-145.4136.5178.8-66.1179.761.4114.72.5109.1V133 D137V133-R135 VanDerWaalsContact C-N 3.28Å; V133-R135 WeakPolarHBondContact CG1-O 3.4Å; V133-R135 PolarHBondContact O-N 3.21Å; R135-D137 IonicContact CZ-OD2 3.18Å; R135-D137 IonicContact NE-OD2 3.9Å; R135-D137 PolarHBondContact NE-OD2 2.84Å; R135-D137 IonicContact NH2-OD2 3.72Å; R135-D137 PolarHBondContact NH2-OD2 3.43Å; R135-D137 PolarHBondContact O-N 3.18Å; R135-D137 VanDerWaalsContact O-N 3.13Å
136R93.9Very high96Very high115 Ų11548.6 Ų48.643%0.43428%0.282SS..  trans-64.1-15.217867.2-178.9-172.9176.84.9114.6G138 L139 M141R136-G138 PolarHBondContact O-N 3.24Å; R136-L139 WeakPolarHBondContact O-CB 3.22Å; R136-L139 PolarHBondContact O-N 3.35Å; R136-L139 VanDerWaalsContact O-N 3.11Å; R136-M141 HydrophobicContact CB-CG 4.24Å; R136-M141 HydrophobicContact CB-SD 3.64Å
137D96.1Very high96.4Very high84 Ų8450.2 Ų50.245%0.44929%0.294SS..THydrogen-bonded Turntrans-57125-176.9-51.1-33.2000111.9G114 R135 L139G114-D137 WeakPolarHBondContact CA-O 3.27Å; G114-D137 PolarHBondContact N-O 2.87Å; R135-D137 IonicContact CZ-OD2 3.18Å; R135-D137 IonicContact NE-OD2 3.9Å; R135-D137 PolarHBondContact NE-OD2 2.84Å; R135-D137 IonicContact NH2-OD2 3.72Å; R135-D137 PolarHBondContact NH2-OD2 3.43Å; R135-D137 PolarHBondContact O-N 3.18Å; R135-D137 VanDerWaalsContact O-N 3.13Å; D137-L139 VanDerWaalsContact C-N 3.33Å; D137-L139 PolarHBondContact O-N 2.71Å
138G95.8Very high96.5Very high51 Ų5150.4 Ų50.453%0.52629%0.294SS..THydrogen-bonded Turntrans85.8-15.9-178.400000115.8G114 R136 G140G114-G138 CarbonylContact O-C 3.56Å; R136-G138 PolarHBondContact O-N 3.24Å; G138-G140 PolarHBondContact O-N 2.97Å
139L97.2Very high96.6Very high4 Ų448.7 Ų48.72%0.02128%0.282CS..SBendtrans-66.9-18.4179.2-73.2179.2000114.1L117 V133 R136 D137 M141 K214 T316 F318L117-L139 HydrophobicContact CB-CD2 4.39Å; L117-L139 HydrophobicContact CD2-CD2 3.8Å; V133-L139 HydrophobicContact CB-CD1 4.28Å; V133-L139 HydrophobicContact CB-CD2 4.48Å; V133-L139 HydrophobicContact CG1-CD1 4.05Å; V133-L139 HydrophobicContact CG1-CD2 4.15Å; V133-L139 HydrophobicContact CG1-CG 4.15Å; V133-L139 HydrophobicContact CG2-CD2 4.27Å; R136-L139 WeakPolarHBondContact O-CB 3.22Å; R136-L139 PolarHBondContact O-N 3.35Å; R136-L139 VanDerWaalsContact O-N 3.11Å; D137-L139 VanDerWaalsContact C-N 3.33Å; D137-L139 PolarHBondContact O-N 2.71Å; L139-M141 VanDerWaalsContact C-N 3.27Å; L139-M141 HydrophobicContact CB-CG 4.13Å; L139-M141 HydrophobicContact CD1-CE 3.81Å; L139-M141 HydrophobicContact CD1-SD 4.45Å; L139-M141 PolarHBondContact O-N 3.3Å; L139-K214 VanDerWaalsContact O-CB 3.32Å; L139-K214 WeakPolarHBondContact O-CB 3.16Å; L139-K214 PolarHBondContact O-N 3.13Å; L139-T316 HydrophobicContact CD1-CG2 4.19Å; L139-F318 HydrophobicContact CD1-CE2 4.41Å; L139-F318 HydrophobicContact CD1-CZ 4.4Å; L139-F318 HydrophobicContact CD2-CE2 4.14Å; L139-F318 HydrophobicContact CD2-CZ 4.08Å
140G97.1Very high96.7Very high35 Ų3546.8 Ų46.836%0.36127%0.271SS..  trans59.738.3-175.200000112.8G138 K214 R217G138-G140 PolarHBondContact O-N 2.97Å; G140-K214 PolarHBondContact O-N 3.02Å; G140-R217 PolarHBondContact O-NH2 2.88Å
141M96.8Very high96.6Very high23 Ų2349 Ų4911%0.11329%0.286CS..  trans-95.2151.7164.455.116554.800109.7R136 L139 L143 E211 P213 W262 H264 T316R136-M141 HydrophobicContact CB-CG 4.24Å; R136-M141 HydrophobicContact CB-SD 3.64Å; L139-M141 VanDerWaalsContact C-N 3.27Å; L139-M141 HydrophobicContact CB-CG 4.13Å; L139-M141 HydrophobicContact CD1-CE 3.81Å; L139-M141 HydrophobicContact CD1-SD 4.45Å; L139-M141 PolarHBondContact O-N 3.3Å; M141-L143 HydrophobicContact SD-CD1 3.64Å; M141-L143 HydrophobicContact SD-CG 4.22Å; M141-E211 CarbonylContact C-O 3.53Å; M141-E211 VanDerWaalsContact CA-O 3.25Å; M141-E211 WeakPolarHBondContact CA-O 3.2Å; M141-E211 WeakPolarHBondContact CB-O 3.42Å; M141-P213 HydrophobicContact CB-CG 4.44Å; M141-P213 HydrophobicContact CE-CG 3.83Å; M141-W262 HydrophobicContact CE-CE3 4.49Å; M141-W262 HydrophobicContact CE-CZ3 4.47Å; M141-H264 HydrophobicContact CE-CB 4.32Å; M141-T316 HydrophobicContact CE-CG2 3.82Å
142T97.5Very high96.6Very high82 Ų8251.7 Ų51.750%0.50330%0.3SS..BIsolated β-bridgetrans-114.6138.6162.9-53.10000107.4V210 E211T142-V210 WeakPolarHBondContact O-CA 3.17Å; T142-E211 PolarHBondContact N-O 3.15Å; T142-E211 PolarHBondContact O-N 2.82Å
143L97.2Very high96.6Very high15 Ų1551.3 Ų51.38%0.07930%0.299CS..  trans-145.2153.7177.5-71.9175.8000108.8M141 L209 V210 H264 F336M141-L143 HydrophobicContact SD-CD1 3.64Å; M141-L143 HydrophobicContact SD-CG 4.22Å; L143-L209 CarbonylContact C-O 3.58Å; L143-L209 WeakPolarHBondContact CA-O 3.39Å; L143-V210 HydrophobicContact CD2-CB 4.43Å; L143-V210 HydrophobicContact CD2-CG1 3.82Å; L143-V210 HydrophobicContact CD2-CG2 4.04Å; L143-H264 HydrophobicContact CD1-CB 4.09Å; L143-H264 WeakPolarHBondContact CD1-CD2 3.38Å; L143-F336 HydrophobicContact CD2-CB 3.93Å; L143-F336 HydrophobicContact CD2-CD2 4.16Å; L143-F336 HydrophobicContact CD2-CG 4.01Å
144P97.1Very high96.6Very high5 Ų553.9 Ų53.93%0.03231%0.311CS..  trans-57.1163.8171.623.6-33.4000112.7F148 L209 L266 F336P144-F148 HydrophobicContact CB-CB 3.87Å; P144-F148 HydrophobicContact CB-CD1 4.11Å; P144-F148 HydrophobicContact CB-CD2 3.53Å; P144-F148 HydrophobicContact CB-CE2 4.02Å; P144-F148 HydrophobicContact CB-CG 3.59Å; P144-F148 HydrophobicContact CG-CB 4.32Å; P144-F148 HydrophobicContact CG-CD1 3.86Å; P144-F148 HydrophobicContact CG-CD2 4.15Å; P144-F148 HydrophobicContact CG-CE1 4.16Å; P144-F148 HydrophobicContact CG-CE2 4.41Å; P144-F148 HydrophobicContact CG-CG 3.88Å; P144-F148 HydrophobicContact CG-CZ 4.44Å; P144-L209 HydrophobicContact CB-CD1 4.45Å; P144-L266 HydrophobicContact CG-CD2 4Å; P144-F336 HydrophobicContact CG-CE2 3.93Å; P144-F336 HydrophobicContact CG-CZ 4.05Å
145P95Very high96.6Very high76 Ų7655.7 Ų55.749%0.49432%0.316SS..  trans-63.2157.8179.427.7-36.2000112.1S147 F148P145-S147 PolarHBondContact O-N 2.79Å; P145-S147 VanDerWaalsContact O-N 3.07Å; P145-F148 WeakPolarHBondContact O-CB 3.18Å; P145-F148 PolarHBondContact O-N 2.9Å
146S92.9Very high96.8Very high83 Ų8351.1 Ų51.158%0.5830%0.3SS*.THydrogen-bonded Turntrans-67-8.2-179.452.70000115
147S95Very high97Very high93 Ų9347 Ų4765%0.6529%0.286SS*.THydrogen-bonded Turntrans-78.1-22.4169.548.40000113.4P145P145-S147 PolarHBondContact O-N 2.79Å; P145-S147 VanDerWaalsContact O-N 3.07Å
148F97.9Very high97Very high9 Ų944.5 Ų44.54%0.03928%0.28CS..  trans-56.3138.6-174.4-171.7-89.8000111.9P144 P145 D152 V153 Y156 L206 L209 L266 R267 L334 F336P144-F148 HydrophobicContact CB-CB 3.87Å; P144-F148 HydrophobicContact CB-CD1 4.11Å; P144-F148 HydrophobicContact CB-CD2 3.53Å; P144-F148 HydrophobicContact CB-CE2 4.02Å; P144-F148 HydrophobicContact CB-CG 3.59Å; P144-F148 HydrophobicContact CG-CB 4.32Å; P144-F148 HydrophobicContact CG-CD1 3.86Å; P144-F148 HydrophobicContact CG-CD2 4.15Å; P144-F148 HydrophobicContact CG-CE1 4.16Å; P144-F148 HydrophobicContact CG-CE2 4.41Å; P144-F148 HydrophobicContact CG-CG 3.88Å; P144-F148 HydrophobicContact CG-CZ 4.44Å; P145-F148 WeakPolarHBondContact O-CB 3.18Å; P145-F148 PolarHBondContact O-N 2.9Å; F148-D152 HydrophobicContact CD1-CB 4.22Å; F148-D152 HydrophobicContact CD2-CB 3.49Å; F148-D152 VanDerWaalsContact CD2-CB 3.49Å; F148-D152 HydrophobicContact CE1-CB 4.03Å; F148-D152 HydrophobicContact CE2-CB 3.29Å; F148-D152 HydrophobicContact CG-CB 3.96Å; F148-D152 HydrophobicContact CZ-CB 3.55Å; F148-V153 HydrophobicContact CE1-CG2 3.65Å; F148-V153 HydrophobicContact CZ-CG2 4.29Å; F148-Y156 AromaticContact CE2-CD2 3.92Å; F148-Y156 HydrophobicContact CE2-CD2 3.92Å; F148-Y156 HydrophobicContact CE2-CE2 4.04Å; F148-Y156 HydrophobicContact CZ-CD2 4.25Å; F148-L206 HydrophobicContact CE1-CD1 4.2Å; F148-L206 HydrophobicContact CE2-CD1 4.24Å; F148-L206 HydrophobicContact CZ-CD1 3.49Å; F148-L206 VanDerWaalsContact CZ-CD1 3.49Å; F148-L209 HydrophobicContact CE2-CD1 4Å; F148-L266 HydrophobicContact CB-CD2 4.18Å; F148-L266 HydrophobicContact CD1-CD2 4.32Å; F148-R267 PolarHBondContact O-NH1 3.14Å; F148-R267 VanDerWaalsContact O-NH1 3.07Å; F148-L334 HydrophobicContact CD1-CD2 4.09Å; F148-F336 HydrophobicContact CE1-CZ 4.12Å
149S97.3Very high97.1Very high28 Ų2843.9 Ų43.920%0.19627%0.27CS..  trans-126.3176.9-16478.30000112.5S151 D152 V153S149-S151 VanDerWaalsContact C-N 3.3Å; S149-S151 PolarHBondContact OG-N 3.45Å; S149-D152 WeakPolarHBondContact CA-OD2 3.19Å; S149-D152 WeakPolarHBondContact CB-OD2 3.19Å; S149-D152 PolarHBondContact N-OD2 3.23Å; S149-D152 PolarHBondContact O-N 3.22Å; S149-D152 PolarHBondContact OG-N 2.88Å; S149-D152 PolarHBondContact OG-OD2 2.86Å; S149-V153 PolarHBondContact O-N 3.15Å
150V97.4Very high97Very high0 Ų049 Ų490%030%0.297CS..Hα-helixtrans-69.7-28.7175.6-63.90000112D152 V153 E154 V182 Y185 N186 M243V150-D152 VanDerWaalsContact C-N 3.33Å; V150-V153 WeakPolarHBondContact O-CB 3.47Å; V150-V153 PolarHBondContact O-N 3.4Å; V150-E154 PolarHBondContact O-N 2.66Å; V150-V182 HydrophobicContact CB-CG2 4.11Å; V150-V182 HydrophobicContact CG2-CG1 4.05Å; V150-V182 HydrophobicContact CG2-CG2 4.43Å; V150-V182 WeakPolarHBondContact O-CG2 3.38Å; V150-Y185 HydrophobicContact CB-CD1 4.31Å; V150-Y185 HydrophobicContact CG1-CD1 3.85Å; V150-Y185 HydrophobicContact CG1-CD2 4.22Å; V150-Y185 HydrophobicContact CG1-CE1 3.78Å; V150-Y185 HydrophobicContact CG1-CE2 4.13Å; V150-Y185 HydrophobicContact CG1-CG 4.09Å; V150-Y185 HydrophobicContact CG2-CD1 3.57Å; V150-Y185 HydrophobicContact CG2-CE1 4.1Å; V150-Y185 HydrophobicContact CG2-CG 4.08Å; V150-N186 WeakPolarHBondContact CG2-OD1 3.33Å; V150-M243 HydrophobicContact CB-SD 4.11Å; V150-M243 HydrophobicContact CG1-CG 4.15Å; V150-M243 HydrophobicContact CG1-SD 3.78Å
151S97.9Very high97Very high46 Ų4652.1 Ų52.132%0.32230%0.301SS..Hα-helixtrans-74.2-23.8173.1-58.70000112.6S149 E154 H155 V182 N186S149-S151 VanDerWaalsContact C-N 3.3Å; S149-S151 PolarHBondContact OG-N 3.45Å; S151-E154 WeakPolarHBondContact O-CB 3.28Å; S151-H155 WeakPolarHBondContact O-CB 3.25Å; S151-H155 PolarHBondContact O-N 3.33Å; S151-V182 WeakPolarHBondContact OG-CG1 3.4Å; S151-N186 PolarHBondContact OG-ND2 3.19Å; S151-N186 VanDerWaalsContact OG-ND2 3.11Å
152D98.3Very high97Very high57 Ų5756.3 Ų56.331%0.30532%0.32SS..Hα-helixtrans-72.7-37.6167.3-55.9-81.2000111.1F148 S149 V150 E154 H155 Y156F148-D152 HydrophobicContact CD1-CB 4.22Å; F148-D152 HydrophobicContact CD2-CB 3.49Å; F148-D152 VanDerWaalsContact CD2-CB 3.49Å; F148-D152 HydrophobicContact CE1-CB 4.03Å; F148-D152 HydrophobicContact CE2-CB 3.29Å; F148-D152 HydrophobicContact CG-CB 3.96Å; F148-D152 HydrophobicContact CZ-CB 3.55Å; S149-D152 WeakPolarHBondContact CA-OD2 3.19Å; S149-D152 WeakPolarHBondContact CB-OD2 3.19Å; S149-D152 PolarHBondContact N-OD2 3.23Å; S149-D152 PolarHBondContact O-N 3.22Å; S149-D152 PolarHBondContact OG-N 2.88Å; S149-D152 PolarHBondContact OG-OD2 2.86Å; V150-D152 VanDerWaalsContact C-N 3.33Å; D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 3.23Å; D152-H155 PolarHBondContact O-N 3.44Å; D152-Y156 VanDerWaalsContact O-CD2 3.3Å; D152-Y156 WeakPolarHBondContact O-CD2 3.31Å; D152-Y156 PolarHBondContact O-N 3.04Å
153V98.2Very high96.9Very high0 Ų052.7 Ų52.70%030%0.297CS..Hα-helixtrans-58-46171.6179.30000110.3F148 S149 V150 Y156 I157 L178 L199 L206 M243 L334F148-V153 HydrophobicContact CE1-CG2 3.65Å; F148-V153 HydrophobicContact CZ-CG2 4.29Å; S149-V153 PolarHBondContact O-N 3.15Å; V150-V153 WeakPolarHBondContact O-CB 3.47Å; V150-V153 PolarHBondContact O-N 3.4Å; V153-Y156 PolarHBondContact O-N 3.24Å; V153-I157 HydrophobicContact CG1-CD1 3.71Å; V153-I157 HydrophobicContact CG1-CG1 4.44Å; V153-I157 WeakPolarHBondContact O-CB 3.35Å; V153-I157 WeakPolarHBondContact O-CG1 3.38Å; V153-I157 PolarHBondContact O-N 2.85Å; V153-L178 HydrophobicContact CG1-CD1 4.44Å; V153-L178 HydrophobicContact CG1-CD2 4.42Å; V153-L199 HydrophobicContact CG1-CD2 4.14Å; V153-L206 HydrophobicContact CG1-CD2 4.33Å; V153-M243 HydrophobicContact CB-SD 4.23Å; V153-M243 HydrophobicContact CG1-CE 4.33Å; V153-M243 HydrophobicContact CG1-SD 4.08Å; V153-M243 HydrophobicContact CG2-SD 4.2Å; V153-L334 HydrophobicContact CG2-CD1 4.28Å
154E98.1Very high96.7Very high55 Ų5554.2 Ų54.226%0.25731%0.306SS..Hα-helixtrans-56.5-48.2173.1-168.6-173.9-179.200112.3V150 S151 D152 Y156 I157 G158 A159 V182V150-E154 PolarHBondContact O-N 2.66Å; S151-E154 WeakPolarHBondContact O-CB 3.28Å; D152-E154 VanDerWaalsContact C-N 3.31Å; D152-E154 PolarHBondContact O-N 3.23Å; E154-Y156 PolarHBondContact O-N 3.34Å; E154-I157 PolarHBondContact O-N 2.97Å; E154-G158 VanDerWaalsContact O-CA 3.31Å; E154-G158 WeakPolarHBondContact O-CA 3.48Å; E154-G158 PolarHBondContact O-N 2.84Å; E154-A159 HydrophobicContact CG-CB 3.97Å; E154-A159 WeakPolarHBondContact OE1-CB 3.41Å; E154-V182 HydrophobicContact CB-CG2 4.24Å; E154-V182 WeakPolarHBondContact OE2-CG1 3.48Å
155H98.1Very high96.6Very high134 Ų13454 Ų5462%0.6230%0.304SS*.Hα-helixtrans-62-39.9179.6-17882.1000113.4S151 D152S151-H155 WeakPolarHBondContact O-CB 3.25Å; S151-H155 PolarHBondContact O-N 3.33Å; D152-H155 PolarHBondContact O-N 3.44Å
156Y98.1Very high96.6Very high79 Ų7951.2 Ų51.231%0.3129%0.285SS..Hα-helixtrans-84.5-17.2-177.8-80.6-79.8000114.7F148 D152 V153 E154 R205 L206 L209F148-Y156 AromaticContact CE2-CD2 3.92Å; F148-Y156 HydrophobicContact CE2-CD2 3.92Å; F148-Y156 HydrophobicContact CE2-CE2 4.04Å; F148-Y156 HydrophobicContact CZ-CD2 4.25Å; D152-Y156 VanDerWaalsContact O-CD2 3.3Å; D152-Y156 WeakPolarHBondContact O-CD2 3.31Å; D152-Y156 PolarHBondContact O-N 3.04Å; V153-Y156 PolarHBondContact O-N 3.24Å; E154-Y156 PolarHBondContact O-N 3.34Å; Y156-R205 HydrophobicContact CD1-CB 3.98Å; Y156-R205 WeakPolarHBondContact O-CB 3.08Å; Y156-R205 PolarHBondContact O-N 2.9Å; Y156-L206 HydrophobicContact CG-CD1 4.44Å; Y156-L209 HydrophobicContact CD1-CD1 4.34Å; Y156-L209 HydrophobicContact CD2-CD1 4.14Å; Y156-L209 HydrophobicContact CE1-CD1 3.98Å; Y156-L209 HydrophobicContact CE1-CG 4.46Å; Y156-L209 HydrophobicContact CE2-CD1 3.77Å; Y156-L209 HydrophobicContact CG-CD1 4.43Å
157I97.6Very high96.6Very high28 Ų2847.5 Ų47.514%0.14426%0.259CS..Hα-helixtrans-107.7-36179.9-63.1-176.8000112.5V153 E154 K161 L178 L199 F201 T204 L206V153-I157 HydrophobicContact CG1-CD1 3.71Å; V153-I157 HydrophobicContact CG1-CG1 4.44Å; V153-I157 WeakPolarHBondContact O-CB 3.35Å; V153-I157 WeakPolarHBondContact O-CG1 3.38Å; V153-I157 PolarHBondContact O-N 2.85Å; E154-I157 PolarHBondContact O-N 2.97Å; I157-K161 HydrophobicContact CG2-CB 3.85Å; I157-K161 HydrophobicContact CG2-CD 4.45Å; I157-K161 HydrophobicContact CG2-CG 3.72Å; I157-L178 HydrophobicContact CB-CD2 3.67Å; I157-L178 HydrophobicContact CD1-CD2 4.44Å; I157-L178 HydrophobicContact CG2-CD2 3.69Å; I157-L199 HydrophobicContact CD1-CD1 4.15Å; I157-L199 HydrophobicContact CD1-CD2 3.97Å; I157-L199 HydrophobicContact CD1-CG 4.16Å; I157-F201 HydrophobicContact CD1-CB 3.88Å; I157-T204 HydrophobicContact CG1-CG2 4.14Å; I157-T204 HydrophobicContact CG2-CG2 4.17Å; I157-L206 HydrophobicContact CD1-CD2 3.93Å; I157-L206 HydrophobicContact CG1-CB 4.18Å; I157-L206 HydrophobicContact CG1-CD2 4.23Å
158G97.1Very high96.6Very high32 Ų3243.1 Ų43.133%0.3323%0.228SC..  trans102.6129.7-175.600000112.8E154 D160 K161E154-G158 VanDerWaalsContact O-CA 3.31Å; E154-G158 WeakPolarHBondContact O-CA 3.48Å; E154-G158 PolarHBondContact O-N 2.84Å; G158-D160 VanDerWaalsContact C-N 3.34Å; G158-D160 PolarHBondContact O-N 3.01Å; G158-K161 VanDerWaalsContact O-CB 3.24Å; G158-K161 WeakPolarHBondContact O-CB 3.43Å; G158-K161 PolarHBondContact O-N 2.84Å; G158-K161 VanDerWaalsContact O-N 3.12Å
159A96.9Very high96.3Very high37 Ų3745 Ų4531%0.30624%0.243SC..THydrogen-bonded Turntrans-58.6-38.5-175.600000114.1E154 K161 L178 G179E154-A159 HydrophobicContact CG-CB 3.97Å; E154-A159 WeakPolarHBondContact OE1-CB 3.41Å; A159-K161 PolarHBondContact O-N 2.82Å; A159-L178 PolarHBondContact O-N 3.4Å; A159-G179 PolarHBondContact O-N 3.13Å
160D96.1Very high95.8Very high112 Ų11248 Ų4860%0.59925%0.25SC*.THydrogen-bonded Turntrans-68.9-6.1178.2-72.5-79.1000114.7G158 E162 R177G158-D160 VanDerWaalsContact C-N 3.34Å; G158-D160 PolarHBondContact O-N 3.01Å; D160-E162 PolarHBondContact O-N 3.32Å; D160-E162 VanDerWaalsContact O-N 3.11Å; D160-R177 IonicContact OD1-CZ 2.81Å; D160-R177 IonicContact OD1-NH1 2.69Å; D160-R177 PolarHBondContact OD1-NH1 3.45Å; D160-R177 IonicContact OD1-NH2 2.78Å; D160-R177 PolarHBondContact OD1-NH2 2.87Å
161K96.4Very high95.4Very high100 Ų10050.3 Ų50.344%0.43526%0.26SS..  trans-62116.1177.5178.269.1178.2-175.40109.4I157 G158 A159 I163 R177 L178I157-K161 HydrophobicContact CG2-CB 3.85Å; I157-K161 HydrophobicContact CG2-CD 4.45Å; I157-K161 HydrophobicContact CG2-CG 3.72Å; G158-K161 VanDerWaalsContact O-CB 3.24Å; G158-K161 WeakPolarHBondContact O-CB 3.43Å; G158-K161 PolarHBondContact O-N 2.84Å; G158-K161 VanDerWaalsContact O-N 3.12Å; A159-K161 PolarHBondContact O-N 2.82Å; K161-I163 HydrophobicContact CG-CG2 4.03Å; K161-R177 CarbonylContact O-C 3.26Å; K161-L178 HydrophobicContact CB-CB 4.32Å; K161-L178 PolarHBondContact O-N 2.87Å
162E96.1Very high94.8Very high111 Ų11149.7 Ų49.752%0.51926%0.256SS..EExtended strand (participates in β ladder)trans-66.7134.3168.1-168.4-171.3-108.600109.8D160 K175 M176D160-E162 PolarHBondContact O-N 3.32Å; D160-E162 VanDerWaalsContact O-N 3.11Å; E162-K175 HydrophobicContact CG-CB 4.11Å; E162-K175 HydrophobicContact CG-CD 4.46Å; E162-K175 HydrophobicContact CG-CG 4.34Å; E162-K175 WeakPolarHBondContact OE2-CD 3.34Å; E162-K175 WeakPolarHBondContact OE2-CE 3.23Å; E162-K175 IonicContact OE2-NZ 3.64Å; E162-K175 PolarHBondContact OE2-NZ 2.88Å; E162-M176 WeakPolarHBondContact CA-O 3.44Å
163I95.9Very high94.2Very high6 Ų650.6 Ų50.63%0.03126%0.26CS..EExtended strand (participates in β ladder)trans-133.1150.4-179.361.3167.9000110.8K161 V165 M176 L178 F181 V196 L199K161-I163 HydrophobicContact CG-CG2 4.03Å; I163-V165 HydrophobicContact CD1-CG2 3.89Å; I163-V165 HydrophobicContact CG1-CG2 3.76Å; I163-M176 WeakPolarHBondContact CG1-O 3.3Å; I163-M176 PolarHBondContact N-O 3.27Å; I163-M176 PolarHBondContact O-N 2.88Å; I163-L178 HydrophobicContact CD1-CB 4.49Å; I163-L178 HydrophobicContact CD1-CD1 4.06Å; I163-L178 HydrophobicContact CG2-CB 4.35Å; I163-F181 HydrophobicContact CD1-CB 3.93Å; I163-F181 HydrophobicContact CD1-CD1 4.47Å; I163-F181 HydrophobicContact CD1-CG 4.17Å; I163-V196 HydrophobicContact CD1-CG1 4.45Å; I163-V196 HydrophobicContact CD1-CG2 3.84Å; I163-L199 HydrophobicContact CG2-CD1 3.76Å; I163-L199 HydrophobicContact CG2-CD2 4.37Å
164D93Very high93.8Very high48 Ų4851.6 Ų51.626%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-89.2127.9174.4-61.3-64.9000110.3K175D164-K175 WeakPolarHBondContact OD1-CE 3.08Å; D164-K175 WeakPolarHBondContact OD1-CG 3.24Å; D164-K175 IonicContact OD1-NZ 2.85Å; D164-K175 PolarHBondContact OD1-NZ 3.15Å; D164-K175 IonicContact OD2-NZ 3.31Å; D164-K175 PolarHBondContact OD2-NZ 3.34Å
165V95.4Very high93.5Very high0 Ų053.9 Ų53.90%027%0.274CS..EExtended strand (participates in β ladder)trans-134.9126.9-168.5-169.70000110.1I163 M174 M176 F181 L194 V196I163-V165 HydrophobicContact CD1-CG2 3.89Å; I163-V165 HydrophobicContact CG1-CG2 3.76Å; V165-M174 PolarHBondContact N-O 3.08Å; V165-M174 WeakPolarHBondContact O-CG 3.26Å; V165-M174 PolarHBondContact O-N 2.97Å; V165-M174 VanDerWaalsContact O-O 3.14Å; V165-M176 HydrophobicContact CB-CG 4.2Å; V165-M176 HydrophobicContact CB-SD 4.35Å; V165-M176 HydrophobicContact CG1-SD 4.29Å; V165-M176 HydrophobicContact CG2-CG 3.42Å; V165-M176 VanDerWaalsContact CG2-CG 3.42Å; V165-M176 HydrophobicContact CG2-SD 3.91Å; V165-F181 HydrophobicContact CG1-CD2 3.98Å; V165-F181 HydrophobicContact CG1-CE2 4.08Å; V165-F181 HydrophobicContact CG2-CD2 4.5Å; V165-L194 HydrophobicContact CG1-CB 3.87Å; V165-V196 HydrophobicContact CG1-CG2 4.15Å; V165-V196 HydrophobicContact CG2-CG2 3.97Å
166I94.1Very high93.3Very high18 Ų1849.1 Ų49.19%0.09225%0.253CS..EExtended strand (participates in β ladder)trans-86.7124.7-178.4-61.6163.5000109.8V168 D173 L194 N195 I197I166-V168 HydrophobicContact CG2-CG2 4.33Å; I166-V168 PolarHBondContact O-N 3.07Å; I166-D173 WeakPolarHBondContact CG1-OD1 3.49Å; I166-L194 WeakPolarHBondContact O-CA 3.29Å; I166-N195 HydrophobicContact CB-CB 4.41Å; I166-N195 PolarHBondContact N-O 2.86Å; I166-N195 PolarHBondContact O-N 2.83Å; I166-I197 HydrophobicContact CD1-CD1 3.57Å; I166-I197 HydrophobicContact CD1-CG1 3.88Å
167D94.2Very high93.2Very high5 Ų551 Ų513%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-75.1108.1157.3-176.7-44.3000108.3S169 R170 Q171 C172 R192 L194D167-S169 VanDerWaalsContact C-N 3.31Å; D167-S169 PolarHBondContact O-N 3.5Å; D167-S169 WeakPolarHBondContact OD1-CA 3.47Å; D167-S169 PolarHBondContact OD1-N 3.32Å; D167-R170 HydrophobicContact CB-CB 4.11Å; D167-R170 PolarHBondContact O-N 2.81Å; D167-R170 PolarHBondContact OD1-N 2.89Å; D167-Q171 WeakPolarHBondContact O-CA 3.34Å; D167-Q171 PolarHBondContact O-N 3.44Å; D167-C172 PolarHBondContact N-O 2.8Å; D167-C172 PolarHBondContact O-N 3.36Å; D167-R192 IonicContact OD2-CZ 2.68Å; D167-R192 IonicContact OD2-NE 3.12Å; D167-R192 PolarHBondContact OD2-NE 3.49Å; D167-R192 IonicContact OD2-NH2 2.83Å; D167-R192 PolarHBondContact OD2-NH2 2.95Å; D167-L194 HydrophobicContact CB-CD2 4.31Å
168V94.6Very high93.3Very high1 Ų149.7 Ų49.71%0.00625%0.253CS..THydrogen-bonded Turntrans-68.1-31.6-174.5171.90000111.7G89 I166 Q171 V193 N195 Y249G89-V168 CarbonylContact C-O 3.58Å; G89-V168 VanDerWaalsContact CA-O 3.26Å; G89-V168 WeakPolarHBondContact CA-O 3.09Å; I166-V168 HydrophobicContact CG2-CG2 4.33Å; I166-V168 PolarHBondContact O-N 3.07Å; V168-Q171 PolarHBondContact O-NE2 3.33Å; V168-V193 HydrophobicContact CB-CB 4.14Å; V168-V193 HydrophobicContact CB-CG1 3.8Å; V168-V193 WeakPolarHBondContact CB-O 3.46Å; V168-V193 HydrophobicContact CG1-CG1 4.13Å; V168-V193 HydrophobicContact CG2-CG1 4.04Å; V168-V193 PolarHBondContact N-O 2.85Å; V168-N195 HydrophobicContact CG2-CB 3.76Å; V168-Y249 VanDerWaalsContact CG1-N 3.28Å
169S90.9Very high93.3Very high49 Ų4948.8 Ų48.834%0.34324%0.244SC..THydrogen-bonded Turntrans-77.8-23.2179.6-72.20000113.3D167D167-S169 VanDerWaalsContact C-N 3.31Å; D167-S169 PolarHBondContact O-N 3.5Å; D167-S169 WeakPolarHBondContact OD1-CA 3.47Å; D167-S169 PolarHBondContact OD1-N 3.32Å
170R88.3Confident93.2Very high91 Ų9150.7 Ų50.734%0.34325%0.248SC..THydrogen-bonded Turntrans-94.6-20173.3-69.317246.3151.6-7.1113.2D40 E44 D167 C172D40-R170 IonicContact OD1-CZ 2.7Å; D40-R170 IonicContact OD1-NH1 3.94Å; D40-R170 IonicContact OD1-NH2 3.22Å; D40-R170 PolarHBondContact OD1-NH2 3.41Å; E44-R170 IonicContact OE1-NH1 2.8Å; D167-R170 HydrophobicContact CB-CB 4.11Å; D167-R170 PolarHBondContact O-N 2.81Å; D167-R170 PolarHBondContact OD1-N 2.89Å; R170-C172 VanDerWaalsContact C-N 3.34Å; R170-C172 WeakPolarHBondContact CB-SG 3.05Å; R170-C172 PolarHBondContact NE-SG 3.48Å
171Q87.7Confident93.3Very high47 Ų4745.3 Ų45.322%0.2222%0.22CC..THydrogen-bonded Turntrans50.951.8-167.6-65.2-71.3-76.400111.2T88 D167 V168 Y249T88-Q171 HydrophobicContact CG2-CG 3.95Å; D167-Q171 WeakPolarHBondContact O-CA 3.34Å; D167-Q171 PolarHBondContact O-N 3.44Å; V168-Q171 PolarHBondContact O-NE2 3.33Å; Q171-Y249 PolarHBondContact NE2-O 3.06Å
172C86.1Confident93.4Very high34 Ų3440.7 Ų40.723%0.2320%0.2CC..EExtended strand (participates in β ladder)trans-140.2142.9174.966.70000111.7D167 R170D167-C172 PolarHBondContact N-O 2.8Å; D167-C172 PolarHBondContact O-N 3.36Å; R170-C172 VanDerWaalsContact C-N 3.34Å; R170-C172 WeakPolarHBondContact CB-SG 3.05Å; R170-C172 PolarHBondContact NE-SG 3.48Å
173D85.8Confident93.4Very high75 Ų7542.6 Ų42.640%0.40121%0.209SC..EExtended strand (participates in β ladder)trans-73.1145.4171.5-50.3-88.9000111.3I166I166-D173 WeakPolarHBondContact CG1-OD1 3.49Å
174M89.9Confident93.4Very high22 Ų2243.7 Ų43.711%0.10821%0.213CC..EExtended strand (participates in β ladder)trans-142.3160.8167.666.2175.5-62.200109.9V165 M176 R192V165-M174 PolarHBondContact N-O 3.08Å; V165-M174 WeakPolarHBondContact O-CG 3.26Å; V165-M174 PolarHBondContact O-N 2.97Å; V165-M174 VanDerWaalsContact O-O 3.14Å; M174-M176 HydrophobicContact CE-CE 4.28Å; M174-M176 HydrophobicContact SD-CE 4.41Å; M174-R192 PolarHBondContact SD-NH2 3.13Å
175K91.1Very high93.6Very high102 Ų10241.8 Ų41.844%0.44320%0.202SC..EExtended strand (participates in β ladder)trans-100.1141.9178.5-75.7172.7165.6-580111.5E162 D164E162-K175 HydrophobicContact CG-CB 4.11Å; E162-K175 HydrophobicContact CG-CD 4.46Å; E162-K175 HydrophobicContact CG-CG 4.34Å; E162-K175 WeakPolarHBondContact OE2-CD 3.34Å; E162-K175 WeakPolarHBondContact OE2-CE 3.23Å; E162-K175 IonicContact OE2-NZ 3.64Å; E162-K175 PolarHBondContact OE2-NZ 2.88Å; D164-K175 WeakPolarHBondContact OD1-CE 3.08Å; D164-K175 WeakPolarHBondContact OD1-CG 3.24Å; D164-K175 IonicContact OD1-NZ 2.85Å; D164-K175 PolarHBondContact OD1-NZ 3.15Å; D164-K175 IonicContact OD2-NZ 3.31Å; D164-K175 PolarHBondContact OD2-NZ 3.34Å
176M93.8Very high93.6Very high35 Ų3546.2 Ų46.217%0.17223%0.226CC..EExtended strand (participates in β ladder)trans-154.8172.817055.1173.454.400110.4E162 I163 V165 M174 F181 L194E162-M176 WeakPolarHBondContact CA-O 3.44Å; I163-M176 WeakPolarHBondContact CG1-O 3.3Å; I163-M176 PolarHBondContact N-O 3.27Å; I163-M176 PolarHBondContact O-N 2.88Å; V165-M176 HydrophobicContact CB-CG 4.2Å; V165-M176 HydrophobicContact CB-SD 4.35Å; V165-M176 HydrophobicContact CG1-SD 4.29Å; V165-M176 HydrophobicContact CG2-CG 3.42Å; V165-M176 VanDerWaalsContact CG2-CG 3.42Å; V165-M176 HydrophobicContact CG2-SD 3.91Å; M174-M176 HydrophobicContact CE-CE 4.28Å; M174-M176 HydrophobicContact SD-CE 4.41Å; M176-F181 HydrophobicContact SD-CB 3.84Å; M176-F181 HydrophobicContact SD-CD2 4.04Å; M176-F181 HydrophobicContact SD-CG 4.45Å; M176-L194 HydrophobicContact CE-CD1 3.8Å; M176-L194 HydrophobicContact SD-CD1 4.35Å
177R97Very high93.6Very high119 Ų11947.2 Ų47.245%0.44923%0.234SC..EExtended strand (participates in β ladder)trans-81.7153.4176.1-54.5157.9150.1-111.7-24.9110.2D160 K161 G179 D180 F181D160-R177 IonicContact OD1-CZ 2.81Å; D160-R177 IonicContact OD1-NH1 2.69Å; D160-R177 PolarHBondContact OD1-NH1 3.45Å; D160-R177 IonicContact OD1-NH2 2.78Å; D160-R177 PolarHBondContact OD1-NH2 2.87Å; K161-R177 CarbonylContact O-C 3.26Å; R177-G179 VanDerWaalsContact C-N 3.29Å; R177-G179 PolarHBondContact O-N 3.34Å; R177-D180 HydrophobicContact CB-CB 4.48Å; R177-D180 VanDerWaalsContact CB-OD2 3.25Å; R177-D180 WeakPolarHBondContact CB-OD2 3.43Å; R177-D180 WeakPolarHBondContact CD-OD2 3.43Å; R177-D180 WeakPolarHBondContact CG-OD2 3.36Å; R177-D180 PolarHBondContact N-OD2 3.43Å; R177-D180 VanDerWaalsContact N-OD2 3.08Å; R177-D180 PolarHBondContact O-N 3.07Å; R177-F181 PolarHBondContact O-N 3.43Å; R177-F181 VanDerWaalsContact O-N 3.1Å
178L98Very high93.2Very high0 Ų054.2 Ų54.20%028%0.277CS..Hα-helixtrans-60.9-38.4176179.157.8000111.8V153 I157 A159 K161 I163 F181 V182 L199 M243V153-L178 HydrophobicContact CG1-CD1 4.44Å; V153-L178 HydrophobicContact CG1-CD2 4.42Å; I157-L178 HydrophobicContact CB-CD2 3.67Å; I157-L178 HydrophobicContact CD1-CD2 4.44Å; I157-L178 HydrophobicContact CG2-CD2 3.69Å; A159-L178 PolarHBondContact O-N 3.4Å; K161-L178 HydrophobicContact CB-CB 4.32Å; K161-L178 PolarHBondContact O-N 2.87Å; I163-L178 HydrophobicContact CD1-CB 4.49Å; I163-L178 HydrophobicContact CD1-CD1 4.06Å; I163-L178 HydrophobicContact CG2-CB 4.35Å; L178-F181 PolarHBondContact O-N 3.23Å; L178-V182 HydrophobicContact CD1-CG2 4.11Å; L178-V182 WeakPolarHBondContact O-CB 3.32Å; L178-V182 VanDerWaalsContact O-CG2 3.31Å; L178-V182 WeakPolarHBondContact O-CG2 3.13Å; L178-V182 PolarHBondContact O-N 3.37Å; L178-L199 HydrophobicContact CD1-CD2 4.19Å; L178-M243 HydrophobicContact CD1-CE 3.81Å
179G97.2Very high92.9Very high13 Ų1360.9 Ų60.913%0.13431%0.313CS..Hα-helixtrans-59.1-53.1173.700000112.5A159 R177 F181 V182 E183A159-G179 PolarHBondContact O-N 3.13Å; R177-G179 VanDerWaalsContact C-N 3.29Å; R177-G179 PolarHBondContact O-N 3.34Å; G179-F181 PolarHBondContact O-N 3.03Å; G179-V182 PolarHBondContact O-N 2.92Å; G179-E183 PolarHBondContact O-N 3.02Å
180D96.4Very high92.9Very high76 Ų7662.1 Ų62.141%0.40631%0.31SS..Hα-helixtrans-53.9-42.5177.5-40.5-20.2000111.5R177 Y184R177-D180 HydrophobicContact CB-CB 4.48Å; R177-D180 VanDerWaalsContact CB-OD2 3.25Å; R177-D180 WeakPolarHBondContact CB-OD2 3.43Å; R177-D180 WeakPolarHBondContact CD-OD2 3.43Å; R177-D180 WeakPolarHBondContact CG-OD2 3.36Å; R177-D180 PolarHBondContact N-OD2 3.43Å; R177-D180 VanDerWaalsContact N-OD2 3.08Å; R177-D180 PolarHBondContact O-N 3.07Å; D180-Y184 WeakPolarHBondContact O-CB 3.44Å; D180-Y184 PolarHBondContact O-N 2.82Å
181F97.4Very high92.9Very high0 Ų064.2 Ų64.20%033%0.328CS..Hα-helixtrans-67.7-36.8177.3-179.9-95.1000112.7I163 V165 M176 R177 L178 G179 Y184 Y185 L194 V196 M243I163-F181 HydrophobicContact CD1-CB 3.93Å; I163-F181 HydrophobicContact CD1-CD1 4.47Å; I163-F181 HydrophobicContact CD1-CG 4.17Å; V165-F181 HydrophobicContact CG1-CD2 3.98Å; V165-F181 HydrophobicContact CG1-CE2 4.08Å; V165-F181 HydrophobicContact CG2-CD2 4.5Å; M176-F181 HydrophobicContact SD-CB 3.84Å; M176-F181 HydrophobicContact SD-CD2 4.04Å; M176-F181 HydrophobicContact SD-CG 4.45Å; R177-F181 PolarHBondContact O-N 3.43Å; R177-F181 VanDerWaalsContact O-N 3.1Å; L178-F181 PolarHBondContact O-N 3.23Å; G179-F181 PolarHBondContact O-N 3.03Å; F181-Y184 HydrophobicContact CD2-CD1 4.1Å; F181-Y184 AromaticContact CE2-CD1 4Å; F181-Y184 HydrophobicContact CE2-CD1 4Å; F181-Y184 HydrophobicContact CE2-CE1 4.14Å; F181-Y184 PolarHBondContact O-N 3.18Å; F181-Y185 AromaticContact CE1-CD2 3.92Å; F181-Y185 HydrophobicContact CE1-CD2 3.92Å; F181-Y185 HydrophobicContact CE1-CG 4.5Å; F181-Y185 AromaticContact CZ-CD2 3.93Å; F181-Y185 HydrophobicContact CZ-CD2 3.93Å; F181-Y185 VanDerWaalsContact O-CB 3.29Å; F181-Y185 WeakPolarHBondContact O-CB 3.21Å; F181-Y185 PolarHBondContact O-N 3.27Å; F181-L194 HydrophobicContact CE2-CB 4.07Å; F181-V196 HydrophobicContact CD1-CG2 3.9Å; F181-V196 HydrophobicContact CD2-CG2 3.81Å; F181-V196 HydrophobicContact CE1-CG2 3.7Å; F181-V196 HydrophobicContact CE2-CG2 3.6Å; F181-V196 HydrophobicContact CG-CG2 3.96Å; F181-V196 HydrophobicContact CZ-CB 4.39Å; F181-V196 HydrophobicContact CZ-CG2 3.54Å; F181-M243 HydrophobicContact CD1-CE 3.95Å; F181-M243 HydrophobicContact CE1-CB 3.67Å; F181-M243 HydrophobicContact CE1-CE 3.89Å; F181-M243 HydrophobicContact CE1-SD 4.25Å; F181-M243 HydrophobicContact CZ-CB 4.11Å
182V97.7Very high93.1Very high2 Ų265.2 Ų65.21%0.01233%0.33CS..Hα-helixtrans-74.2-35.5179.7168.60000111.9V150 S151 E154 L178 G179 Y185 N186V150-V182 HydrophobicContact CB-CG2 4.11Å; V150-V182 HydrophobicContact CG2-CG1 4.05Å; V150-V182 HydrophobicContact CG2-CG2 4.43Å; V150-V182 WeakPolarHBondContact O-CG2 3.38Å; S151-V182 WeakPolarHBondContact OG-CG1 3.4Å; E154-V182 HydrophobicContact CB-CG2 4.24Å; E154-V182 WeakPolarHBondContact OE2-CG1 3.48Å; L178-V182 HydrophobicContact CD1-CG2 4.11Å; L178-V182 WeakPolarHBondContact O-CB 3.32Å; L178-V182 VanDerWaalsContact O-CG2 3.31Å; L178-V182 WeakPolarHBondContact O-CG2 3.13Å; L178-V182 PolarHBondContact O-N 3.37Å; G179-V182 PolarHBondContact O-N 2.92Å; V182-Y185 PolarHBondContact O-N 3.44Å; V182-N186 WeakPolarHBondContact O-CB 3.22Å; V182-N186 PolarHBondContact O-N 2.69Å; V182-N186 PolarHBondContact O-ND2 2.85Å
183E96.6Very high93.5Very high152 Ų15265 Ų6571%0.7133%0.328SS*.Hα-helixtrans-60.4-50.8167.6-174.1177.5-170.500110.7G179 Y185 N186 S187G179-E183 PolarHBondContact O-N 3.02Å; E183-Y185 VanDerWaalsContact C-N 3.32Å; E183-Y185 PolarHBondContact O-N 3.07Å; E183-N186 PolarHBondContact O-N 2.85Å; E183-S187 PolarHBondContact O-N 2.97Å
184Y96.6Very high94.1Very high28 Ų2861.7 Ų61.711%0.1131%0.31CS..Hα-helixtrans-55.2-44.8173.6160.4-90.5000112.4D180 F181 S187 R190 R192 L194 V245D180-Y184 WeakPolarHBondContact O-CB 3.44Å; D180-Y184 PolarHBondContact O-N 2.82Å; F181-Y184 HydrophobicContact CD2-CD1 4.1Å; F181-Y184 AromaticContact CE2-CD1 4Å; F181-Y184 HydrophobicContact CE2-CD1 4Å; F181-Y184 HydrophobicContact CE2-CE1 4.14Å; F181-Y184 PolarHBondContact O-N 3.18Å; Y184-S187 WeakPolarHBondContact O-CB 3.09Å; Y184-S187 PolarHBondContact O-N 3.28Å; Y184-S187 PolarHBondContact O-OG 3.26Å; Y184-R190 HydrophobicContact CD2-CG 4.49Å; Y184-R190 HydrophobicContact CE2-CB 3.84Å; Y184-R190 HydrophobicContact CE2-CG 3.95Å; Y184-R192 PolarHBondContact OH-O 2.92Å; Y184-L194 HydrophobicContact CD1-CB 4.34Å; Y184-L194 HydrophobicContact CD1-CD1 4.04Å; Y184-L194 HydrophobicContact CD2-CD1 4.04Å; Y184-L194 HydrophobicContact CE1-CB 3.63Å; Y184-L194 HydrophobicContact CE1-CD1 3.98Å; Y184-L194 HydrophobicContact CE1-CG 3.98Å; Y184-L194 HydrophobicContact CE2-CD1 3.95Å; Y184-L194 HydrophobicContact CE2-CG 4.06Å; Y184-L194 HydrophobicContact CG-CD1 4.09Å; Y184-L194 PolarHBondContact OH-N 3.23Å; Y184-V245 HydrophobicContact CE1-CG1 3.83Å
185Y96.8Very high94.4Very high9 Ų960.7 Ų60.74%0.03531%0.305CS..Hα-helixtrans-66.9-40.7-178.4-169.9-74.6000111.2V150 F181 V182 E183 S187 R190 M243 V245 C333V150-Y185 HydrophobicContact CB-CD1 4.31Å; V150-Y185 HydrophobicContact CG1-CD1 3.85Å; V150-Y185 HydrophobicContact CG1-CD2 4.22Å; V150-Y185 HydrophobicContact CG1-CE1 3.78Å; V150-Y185 HydrophobicContact CG1-CE2 4.13Å; V150-Y185 HydrophobicContact CG1-CG 4.09Å; V150-Y185 HydrophobicContact CG2-CD1 3.57Å; V150-Y185 HydrophobicContact CG2-CE1 4.1Å; V150-Y185 HydrophobicContact CG2-CG 4.08Å; F181-Y185 AromaticContact CE1-CD2 3.92Å; F181-Y185 HydrophobicContact CE1-CD2 3.92Å; F181-Y185 HydrophobicContact CE1-CG 4.5Å; F181-Y185 AromaticContact CZ-CD2 3.93Å; F181-Y185 HydrophobicContact CZ-CD2 3.93Å; F181-Y185 VanDerWaalsContact O-CB 3.29Å; F181-Y185 WeakPolarHBondContact O-CB 3.21Å; F181-Y185 PolarHBondContact O-N 3.27Å; V182-Y185 PolarHBondContact O-N 3.44Å; E183-Y185 VanDerWaalsContact C-N 3.32Å; E183-Y185 PolarHBondContact O-N 3.07Å; Y185-S187 VanDerWaalsContact C-N 3.3Å; Y185-R190 PolarHBondContact O-NE 2.78Å; Y185-R190 PolarHBondContact O-NH2 3.31Å; Y185-M243 HydrophobicContact CE2-CB 4.44Å; Y185-V245 HydrophobicContact CD2-CG1 3.86Å; Y185-V245 HydrophobicContact CE2-CG1 4.12Å; Y185-C333 PolarHBondContact OH-N 3.31Å
186N96Very high94.8Very high93 Ų9355.9 Ų55.950%0.49728%0.284SS..Hα-helixtrans-78.2-13.8177.9-69.9-31000113.1V150 S151 V182 E183V150-N186 WeakPolarHBondContact CG2-OD1 3.33Å; S151-N186 PolarHBondContact OG-ND2 3.19Å; S151-N186 VanDerWaalsContact OG-ND2 3.11Å; V182-N186 WeakPolarHBondContact O-CB 3.22Å; V182-N186 PolarHBondContact O-N 2.69Å; V182-N186 PolarHBondContact O-ND2 2.85Å; E183-N186 PolarHBondContact O-N 2.85Å
187S94.3Very high94.8Very high38 Ų3856.2 Ų56.227%0.26629%0.286SS..  trans-63.6143.7176.580.60000112.9E183 Y184 Y185E183-S187 PolarHBondContact O-N 2.97Å; Y184-S187 WeakPolarHBondContact O-CB 3.09Å; Y184-S187 PolarHBondContact O-N 3.28Å; Y184-S187 PolarHBondContact O-OG 3.26Å; Y185-S187 VanDerWaalsContact C-N 3.3Å
188T86.1Confident94.7Very high153 Ų15353 Ų5394%0.93928%0.282SS*.SBendtrans-83.2-13.618052.60000113.8
189N88Confident94.6Very high140 Ų14053.4 Ų53.475%0.74928%0.284SS*.  trans-132.998.8-177-177.529000109.9
190R90.3Very high94.6Very high75 Ų7554.6 Ų54.628%0.28329%0.286SS..  trans-102113.5-177.4-57.1-178.8-162.3136.5-1.5109.4Y184 Y185 D332Y184-R190 HydrophobicContact CD2-CG 4.49Å; Y184-R190 HydrophobicContact CE2-CB 3.84Å; Y184-R190 HydrophobicContact CE2-CG 3.95Å; Y185-R190 PolarHBondContact O-NE 2.78Å; Y185-R190 PolarHBondContact O-NH2 3.31Å; R190-D332 IonicContact CZ-OD1 3.13Å; R190-D332 IonicContact CZ-OD2 2.68Å; R190-D332 VanDerWaalsContact NH1-CG 3.3Å; R190-D332 IonicContact NH1-OD1 2.95Å; R190-D332 PolarHBondContact NH1-OD1 3.14Å; R190-D332 IonicContact NH1-OD2 3.73Å; R190-D332 PolarHBondContact NH1-OD2 3.27Å; R190-D332 IonicContact NH2-OD2 2.74Å; R190-D332 PolarHBondContact NH2-OD2 3.28Å
191D87.5Confident94.7Very high136 Ų13651 Ų5173%0.72727%0.267SS*.SBendtrans-73.5-36-179.969.3-41.6000112.7
192R92.1Very high94.6Very high67 Ų6752.3 Ų52.325%0.25328%0.276SS..SBendtrans-116.2161.3177.8-67.8166.571.3-156.84.6110.3D167 M174 Y184 L194D167-R192 IonicContact OD2-CZ 2.68Å; D167-R192 IonicContact OD2-NE 3.12Å; D167-R192 PolarHBondContact OD2-NE 3.49Å; D167-R192 IonicContact OD2-NH2 2.83Å; D167-R192 PolarHBondContact OD2-NH2 2.95Å; M174-R192 PolarHBondContact SD-NH2 3.13Å; Y184-R192 PolarHBondContact OH-O 2.92Å; R192-L194 HydrophobicContact CB-CD2 4.19Å; R192-L194 HydrophobicContact CB-CG 4.45Å
193V96.1Very high94.5Very high31 Ų3159.6 Ų59.619%0.18831%0.31CS..  trans-106.5105.2175.7178.90000107.8V168 V245 S248V168-V193 HydrophobicContact CB-CB 4.14Å; V168-V193 HydrophobicContact CB-CG1 3.8Å; V168-V193 WeakPolarHBondContact CB-O 3.46Å; V168-V193 HydrophobicContact CG1-CG1 4.13Å; V168-V193 HydrophobicContact CG2-CG1 4.04Å; V168-V193 PolarHBondContact N-O 2.85Å; V193-V245 HydrophobicContact CG1-CG2 3.93Å; V193-S248 VanDerWaalsContact CG1-OG 3.31Å; V193-S248 WeakPolarHBondContact CG1-OG 3.3Å
194L96.4Very high94.5Very high5 Ų553.8 Ų53.83%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-108.5148.4-176.5-54.3-178000111.7V165 I166 D167 M176 F181 Y184 R192 S248V165-L194 HydrophobicContact CG1-CB 3.87Å; I166-L194 WeakPolarHBondContact O-CA 3.29Å; D167-L194 HydrophobicContact CB-CD2 4.31Å; M176-L194 HydrophobicContact CE-CD1 3.8Å; M176-L194 HydrophobicContact SD-CD1 4.35Å; F181-L194 HydrophobicContact CE2-CB 4.07Å; Y184-L194 HydrophobicContact CD1-CB 4.34Å; Y184-L194 HydrophobicContact CD1-CD1 4.04Å; Y184-L194 HydrophobicContact CD2-CD1 4.04Å; Y184-L194 HydrophobicContact CE1-CB 3.63Å; Y184-L194 HydrophobicContact CE1-CD1 3.98Å; Y184-L194 HydrophobicContact CE1-CG 3.98Å; Y184-L194 HydrophobicContact CE2-CD1 3.95Å; Y184-L194 HydrophobicContact CE2-CG 4.06Å; Y184-L194 HydrophobicContact CG-CD1 4.09Å; Y184-L194 PolarHBondContact OH-N 3.23Å; R192-L194 HydrophobicContact CB-CD2 4.19Å; R192-L194 HydrophobicContact CB-CG 4.45Å; L194-S248 PolarHBondContact O-OG 2.97Å; L194-S248 VanDerWaalsContact O-OG 3.09Å
195N97.7Very high94.5Very high1 Ų161 Ų611%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-145.2122.1-173.4-171.346000111.2I166 V168 I197 G244 T250I166-N195 HydrophobicContact CB-CB 4.41Å; I166-N195 PolarHBondContact N-O 2.86Å; I166-N195 PolarHBondContact O-N 2.83Å; V168-N195 HydrophobicContact CG2-CB 3.76Å; N195-I197 WeakPolarHBondContact ND2-CG2 3.42Å; N195-G244 VanDerWaalsContact OD1-CA 3.24Å; N195-G244 WeakPolarHBondContact OD1-CA 3.22Å; N195-T250 PolarHBondContact ND2-OG1 2.8Å
196V98.1Very high94.6Very high0 Ų060.6 Ų60.60%031%0.31CS..EExtended strand (participates in β ladder)trans-99.7120174.1-179.90000108.6I163 V165 F181 L199 L242 M243I163-V196 HydrophobicContact CD1-CG1 4.45Å; I163-V196 HydrophobicContact CD1-CG2 3.84Å; V165-V196 HydrophobicContact CG1-CG2 4.15Å; V165-V196 HydrophobicContact CG2-CG2 3.97Å; F181-V196 HydrophobicContact CD1-CG2 3.9Å; F181-V196 HydrophobicContact CD2-CG2 3.81Å; F181-V196 HydrophobicContact CE1-CG2 3.7Å; F181-V196 HydrophobicContact CE2-CG2 3.6Å; F181-V196 HydrophobicContact CG-CG2 3.96Å; F181-V196 HydrophobicContact CZ-CB 4.39Å; F181-V196 HydrophobicContact CZ-CG2 3.54Å; V196-L199 HydrophobicContact CG1-CB 3.68Å; V196-L199 HydrophobicContact CG1-CD2 4.42Å; V196-L242 CarbonylContact O-C 3.59Å; V196-L242 WeakPolarHBondContact O-CA 3.36Å; V196-M243 HydrophobicContact CB-CB 4.24Å; V196-M243 HydrophobicContact CB-CE 4.21Å; V196-M243 HydrophobicContact CG1-CE 4.07Å; V196-M243 HydrophobicContact CG2-CE 4.27Å; V196-M243 PolarHBondContact N-O 2.85Å; V196-M243 PolarHBondContact O-N 3.15Å
197I95.6Very high94.6Very high43 Ų4357 Ų5722%0.22129%0.292CS..EExtended strand (participates in β ladder)trans-122.9-24.8175.666.1174.9000113.5I166 N195 L242 T250I166-I197 HydrophobicContact CD1-CD1 3.57Å; I166-I197 HydrophobicContact CD1-CG1 3.88Å; N195-I197 WeakPolarHBondContact ND2-CG2 3.42Å; I197-L242 HydrophobicContact CB-CD2 3.92Å; I197-L242 HydrophobicContact CG2-CD2 4.12Å; I197-T250 HydrophobicContact CD1-CG2 4.2Å
198S93.6Very high94.8Very high51 Ų5162 Ų6236%0.35732%0.316SS..EExtended strand (participates in β ladder)trans-99.711.2-169.4-47.40000114.7E200S198-E200 VanDerWaalsContact C-N 3.34Å; S198-E200 PolarHBondContact O-N 2.94Å
199L97.1Very high95.3Very high8 Ų857 Ų574%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-74.285-179176.752.7000111V153 I157 I163 L178 V196 Y240 C241 M243V153-L199 HydrophobicContact CG1-CD2 4.14Å; I157-L199 HydrophobicContact CD1-CD1 4.15Å; I157-L199 HydrophobicContact CD1-CD2 3.97Å; I157-L199 HydrophobicContact CD1-CG 4.16Å; I163-L199 HydrophobicContact CG2-CD1 3.76Å; I163-L199 HydrophobicContact CG2-CD2 4.37Å; L178-L199 HydrophobicContact CD1-CD2 4.19Å; V196-L199 HydrophobicContact CG1-CB 3.68Å; V196-L199 HydrophobicContact CG1-CD2 4.42Å; L199-Y240 WeakPolarHBondContact O-CA 3.4Å; L199-C241 HydrophobicContact CD2-CB 4.44Å; L199-C241 HydrophobicContact CG-CB 4.41Å; L199-C241 PolarHBondContact O-N 3.24Å; L199-M243 HydrophobicContact CD2-CE 3.73Å
200E97Very high95.8Very high39 Ų3950.5 Ų50.518%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-71.2136.4168.8-135.9-73.7158.400109.7S198 S202 N236 Q238 K239 Y240S198-E200 VanDerWaalsContact C-N 3.34Å; S198-E200 PolarHBondContact O-N 2.94Å; E200-S202 WeakPolarHBondContact OE1-CB 3.46Å; E200-S202 PolarHBondContact OE1-OG 3.13Å; E200-S202 WeakPolarHBondContact OE2-CB 3.37Å; E200-S202 PolarHBondContact OE2-N 3.01Å; E200-S202 PolarHBondContact OE2-OG 2.92Å; E200-N236 WeakPolarHBondContact CG-O 3.43Å; E200-Q238 PolarHBondContact OE1-N 2.84Å; E200-K239 WeakPolarHBondContact CA-O 3.45Å; E200-K239 PolarHBondContact OE1-N 3.03Å; E200-K239 VanDerWaalsContact OE1-N 3.15Å; E200-Y240 HydrophobicContact CB-CD1 3.89Å; E200-Y240 HydrophobicContact CB-CE1 3.62Å; E200-Y240 HydrophobicContact CG-CD1 3.91Å; E200-Y240 HydrophobicContact CG-CE1 3.54Å
201F97.6Very high96.2Very high1 Ų150.2 Ų50.20%0.00425%0.25CS..  trans-134.512.9-172.370.6-96000114.4I157 E203 T204 L206 V210 K239 Y240 C241 F336I157-F201 HydrophobicContact CD1-CB 3.88Å; F201-E203 PolarHBondContact O-N 3.4Å; F201-E203 VanDerWaalsContact O-N 3.12Å; F201-T204 HydrophobicContact CB-CG2 4.14Å; F201-T204 WeakPolarHBondContact CB-OG1 3.5Å; F201-T204 WeakPolarHBondContact O-CB 3.13Å; F201-T204 PolarHBondContact O-N 2.83Å; F201-T204 PolarHBondContact O-OG1 2.82Å; F201-L206 HydrophobicContact CB-CD2 4.44Å; F201-L206 HydrophobicContact CD1-CD2 4.28Å; F201-L206 HydrophobicContact CD2-CB 3.63Å; F201-L206 HydrophobicContact CD2-CD2 3.88Å; F201-L206 HydrophobicContact CD2-CG 3.59Å; F201-L206 HydrophobicContact CE2-CB 4.14Å; F201-L206 HydrophobicContact CE2-CD2 4.14Å; F201-L206 HydrophobicContact CE2-CG 3.68Å; F201-L206 HydrophobicContact CG-CB 4.29Å; F201-L206 HydrophobicContact CG-CD2 3.95Å; F201-L206 HydrophobicContact CG-CG 4.19Å; F201-L206 HydrophobicContact CZ-CD2 4.45Å; F201-L206 HydrophobicContact CZ-CG 4.35Å; F201-V210 HydrophobicContact CE2-CB 3.83Å; F201-V210 HydrophobicContact CE2-CG1 4.42Å; F201-V210 HydrophobicContact CE2-CG2 3.92Å; F201-V210 HydrophobicContact CZ-CB 3.76Å; F201-V210 HydrophobicContact CZ-CG1 3.92Å; F201-V210 HydrophobicContact CZ-CG2 3.73Å; F201-K239 HydrophobicContact CD1-CB 4.22Å; F201-K239 WeakPolarHBondContact CD1-O 3.45Å; F201-K239 HydrophobicContact CD2-CB 4.33Å; F201-K239 VanDerWaalsContact CE1-C 3.5Å; F201-K239 HydrophobicContact CE1-CB 3.83Å; F201-K239 WeakPolarHBondContact CE1-O 3.45Å; F201-K239 HydrophobicContact CE2-CB 3.97Å; F201-K239 HydrophobicContact CE2-CD 4.07Å; F201-K239 HydrophobicContact CG-CB 4.45Å; F201-K239 HydrophobicContact CZ-CB 3.7Å; F201-K239 HydrophobicContact CZ-CD 4.42Å; F201-K239 HydrophobicContact CZ-CG 4.48Å; F201-K239 PolarHBondContact N-O 3.2Å; F201-Y240 VanDerWaalsContact CE1-C 3.48Å; F201-C241 HydrophobicContact CD1-CB 3.72Å; F201-C241 HydrophobicContact CE1-CB 3.89Å; F201-F336 AromaticContact CE1-CD1 3.65Å; F201-F336 HydrophobicContact CE1-CD1 3.65Å; F201-F336 AromaticContact CE1-CE1 3.73Å; F201-F336 HydrophobicContact CE1-CE1 3.73Å; F201-F336 AromaticContact CZ-CD1 3.61Å; F201-F336 HydrophobicContact CZ-CD1 3.61Å; F201-F336 AromaticContact CZ-CE1 3.63Å; F201-F336 HydrophobicContact CZ-CE1 3.63Å
202S96.1Very high96.7Very high26 Ų2644 Ų4418%0.18222%0.217CC..THydrogen-bonded Turntrans-56.5-29.1-177.2-71.90000113.8E200 S207E200-S202 WeakPolarHBondContact OE1-CB 3.46Å; E200-S202 PolarHBondContact OE1-OG 3.13Å; E200-S202 WeakPolarHBondContact OE2-CB 3.37Å; E200-S202 PolarHBondContact OE2-N 3.01Å; E200-S202 PolarHBondContact OE2-OG 2.92Å; S202-S207 WeakPolarHBondContact O-CB 3.28Å; S202-S207 PolarHBondContact O-OG 2.91Å
203E94.6Very high97Very high156 Ų15640.8 Ų40.873%0.72921%0.205SC*.THydrogen-bonded Turntrans-96.48179.5-58.1-174.9174.100113.8F201 N236F201-E203 PolarHBondContact O-N 3.4Å; F201-E203 VanDerWaalsContact O-N 3.12Å; E203-N236 PolarHBondContact OE1-ND2 3.15Å
204T97Very high97.1Very high29 Ų2945.3 Ų45.318%0.17822%0.222CC..SBendtrans-105.8169.6-178.975.40000111.8I157 F201 L206 S207I157-T204 HydrophobicContact CG1-CG2 4.14Å; I157-T204 HydrophobicContact CG2-CG2 4.17Å; F201-T204 HydrophobicContact CB-CG2 4.14Å; F201-T204 WeakPolarHBondContact CB-OG1 3.5Å; F201-T204 WeakPolarHBondContact O-CB 3.13Å; F201-T204 PolarHBondContact O-N 2.83Å; F201-T204 PolarHBondContact O-OG1 2.82Å; T204-L206 PolarHBondContact O-N 3.33Å; T204-L206 WeakPolarHBondContact OG1-CB 3.37Å; T204-L206 PolarHBondContact OG1-N 2.91Å; T204-S207 WeakPolarHBondContact O-CB 3.12Å; T204-S207 PolarHBondContact O-N 3.07Å
205R97.3Very high97.1Very high181 Ų18145.5 Ų45.568%0.68322%0.223SC*.G310 helixtrans-63.1-24.1175.4-54.5177.2-178.2172.50.3112.4Y156 S207 N208Y156-R205 HydrophobicContact CD1-CB 3.98Å; Y156-R205 WeakPolarHBondContact O-CB 3.08Å; Y156-R205 PolarHBondContact O-N 2.9Å; R205-S207 PolarHBondContact O-N 2.97Å; R205-N208 WeakPolarHBondContact O-CB 3.43Å; R205-N208 PolarHBondContact O-N 2.99Å
206L97.7Very high97.1Very high0 Ų045.5 Ų45.50%022%0.223CC..G310 helixtrans-64.2-26.1175.4-172.156.3000112.4F148 V153 Y156 I157 F201 T204 N208 L209 F336F148-L206 HydrophobicContact CE1-CD1 4.2Å; F148-L206 HydrophobicContact CE2-CD1 4.24Å; F148-L206 HydrophobicContact CZ-CD1 3.49Å; F148-L206 VanDerWaalsContact CZ-CD1 3.49Å; V153-L206 HydrophobicContact CG1-CD2 4.33Å; Y156-L206 HydrophobicContact CG-CD1 4.44Å; I157-L206 HydrophobicContact CD1-CD2 3.93Å; I157-L206 HydrophobicContact CG1-CB 4.18Å; I157-L206 HydrophobicContact CG1-CD2 4.23Å; F201-L206 HydrophobicContact CB-CD2 4.44Å; F201-L206 HydrophobicContact CD1-CD2 4.28Å; F201-L206 HydrophobicContact CD2-CB 3.63Å; F201-L206 HydrophobicContact CD2-CD2 3.88Å; F201-L206 HydrophobicContact CD2-CG 3.59Å; F201-L206 HydrophobicContact CE2-CB 4.14Å; F201-L206 HydrophobicContact CE2-CD2 4.14Å; F201-L206 HydrophobicContact CE2-CG 3.68Å; F201-L206 HydrophobicContact CG-CB 4.29Å; F201-L206 HydrophobicContact CG-CD2 3.95Å; F201-L206 HydrophobicContact CG-CG 4.19Å; F201-L206 HydrophobicContact CZ-CD2 4.45Å; F201-L206 HydrophobicContact CZ-CG 4.35Å; T204-L206 PolarHBondContact O-N 3.33Å; T204-L206 WeakPolarHBondContact OG1-CB 3.37Å; T204-L206 PolarHBondContact OG1-N 2.91Å; L206-N208 PolarHBondContact O-N 3.43Å; L206-N208 VanDerWaalsContact O-N 3.14Å; L206-L209 HydrophobicContact CD1-CB 4.4Å; L206-L209 HydrophobicContact CD1-CD1 4.12Å; L206-L209 PolarHBondContact O-N 3.19Å; L206-F336 HydrophobicContact CD2-CE1 4.15Å; L206-F336 HydrophobicContact CD2-CZ 4.49Å
207S97.4Very high97.1Very high18 Ų1848.7 Ų48.713%0.12624%0.235CC..G310 helixtrans-56.1-30.7176.9-1640000112.4S202 T204 R205 L209 V210 K239S202-S207 WeakPolarHBondContact O-CB 3.28Å; S202-S207 PolarHBondContact O-OG 2.91Å; T204-S207 WeakPolarHBondContact O-CB 3.12Å; T204-S207 PolarHBondContact O-N 3.07Å; R205-S207 PolarHBondContact O-N 2.97Å; S207-L209 VanDerWaalsContact C-N 3.31Å; S207-L209 PolarHBondContact O-N 2.92Å; S207-V210 PolarHBondContact O-N 3.03Å; S207-V210 VanDerWaalsContact O-O 3.07Å; S207-K239 PolarHBondContact O-NZ 2.99Å; S207-K239 PolarHBondContact OG-NZ 3.02Å
208N97.1Very high97.2Very high141 Ų14152.4 Ų52.475%0.75425%0.25SC*.G310 helixtrans-72.5-20.3179.9-60.2-26000113.5R205 L206R205-N208 WeakPolarHBondContact O-CB 3.43Å; R205-N208 PolarHBondContact O-N 2.99Å; L206-N208 PolarHBondContact O-N 3.43Å; L206-N208 VanDerWaalsContact O-N 3.14Å
209L97.6Very high97.4Very high50 Ų5051 Ų5126%0.26224%0.238SC..G310 helixtrans-93.7-12.2178.9-57.4-173.7000113.3L143 P144 F148 Y156 L206 S207L143-L209 CarbonylContact C-O 3.58Å; L143-L209 WeakPolarHBondContact CA-O 3.39Å; P144-L209 HydrophobicContact CB-CD1 4.45Å; F148-L209 HydrophobicContact CE2-CD1 4Å; Y156-L209 HydrophobicContact CD1-CD1 4.34Å; Y156-L209 HydrophobicContact CD2-CD1 4.14Å; Y156-L209 HydrophobicContact CE1-CD1 3.98Å; Y156-L209 HydrophobicContact CE1-CG 4.46Å; Y156-L209 HydrophobicContact CE2-CD1 3.77Å; Y156-L209 HydrophobicContact CG-CD1 4.43Å; L206-L209 HydrophobicContact CD1-CB 4.4Å; L206-L209 HydrophobicContact CD1-CD1 4.12Å; L206-L209 PolarHBondContact O-N 3.19Å; S207-L209 VanDerWaalsContact C-N 3.31Å; S207-L209 PolarHBondContact O-N 2.92Å
210V97.9Very high97.4Very high2 Ų250.7 Ų50.71%0.01224%0.237CC..  trans-123.7115.3-173.9177.40000110.9T142 L143 F201 S207 K239 W262 F336T142-V210 WeakPolarHBondContact O-CA 3.17Å; L143-V210 HydrophobicContact CD2-CB 4.43Å; L143-V210 HydrophobicContact CD2-CG1 3.82Å; L143-V210 HydrophobicContact CD2-CG2 4.04Å; F201-V210 HydrophobicContact CE2-CB 3.83Å; F201-V210 HydrophobicContact CE2-CG1 4.42Å; F201-V210 HydrophobicContact CE2-CG2 3.92Å; F201-V210 HydrophobicContact CZ-CB 3.76Å; F201-V210 HydrophobicContact CZ-CG1 3.92Å; F201-V210 HydrophobicContact CZ-CG2 3.73Å; S207-V210 PolarHBondContact O-N 3.03Å; S207-V210 VanDerWaalsContact O-O 3.07Å; V210-K239 WeakPolarHBondContact O-CE 3.25Å; V210-K239 PolarHBondContact O-NZ 3.24Å; V210-W262 HydrophobicContact CG1-CH2 4.3Å; V210-F336 HydrophobicContact CG2-CD1 3.93Å; V210-F336 HydrophobicContact CG2-CE1 3.83Å; V210-F336 HydrophobicContact CG2-CZ 4.35Å
211E97.9Very high97.5Very high69 Ų6949 Ų4932%0.32223%0.229SC..BIsolated β-bridgetrans-114.9125.8172.4177.970.3150.600109M141 T142 R217M141-E211 CarbonylContact C-O 3.53Å; M141-E211 VanDerWaalsContact CA-O 3.25Å; M141-E211 WeakPolarHBondContact CA-O 3.2Å; M141-E211 WeakPolarHBondContact CB-O 3.42Å; T142-E211 PolarHBondContact N-O 3.15Å; T142-E211 PolarHBondContact O-N 2.82Å; E211-R217 VanDerWaalsContact CD-CZ 3.46Å; E211-R217 VanDerWaalsContact CG-NH2 3.34Å; E211-R217 IonicContact OE1-CZ 3.96Å; E211-R217 IonicContact OE1-NE 2.74Å; E211-R217 IonicContact OE1-NH1 3.26Å; E211-R217 PolarHBondContact OE1-NH1 3.29Å; E211-R217 IonicContact OE1-NH2 2.66Å; E211-R217 PolarHBondContact OE1-NH2 3.32Å
212T98.1Very high97.5Very high5 Ų549.1 Ų49.13%0.03123%0.23CC..  trans-71.6157.6-171.468.60000111.4K214 R217 Q238 K239 W262T212-K214 PolarHBondContact O-N 3.18Å; T212-R217 PolarHBondContact O-NE 2.91Å; T212-R217 PolarHBondContact O-NH2 3.41Å; T212-R217 WeakPolarHBondContact OG1-CD 3.4Å; T212-R217 WeakPolarHBondContact OG1-CG 3.22Å; T212-Q238 HydrophobicContact CG2-CB 4.46Å; T212-Q238 WeakPolarHBondContact CG2-O 3.22Å; T212-K239 HydrophobicContact CG2-CG 4.02Å; T212-W262 HydrophobicContact CG2-CZ2 3.72Å
213P98.4Very high97.4Very high0 Ų051.6 Ų51.60%024%0.238CC..  trans-54.2140.7-175.8-24.732.4000112.6M141 I215 V216 R217 W262 F318M141-P213 HydrophobicContact CB-CG 4.44Å; M141-P213 HydrophobicContact CE-CG 3.83Å; P213-I215 HydrophobicContact CB-CG2 4.22Å; P213-I215 PolarHBondContact O-N 3.28Å; P213-V216 HydrophobicContact CB-CG2 3.98Å; P213-V216 HydrophobicContact CG-CG2 4.06Å; P213-V216 WeakPolarHBondContact O-CA 3.28Å; P213-V216 WeakPolarHBondContact O-CB 3.47Å; P213-V216 PolarHBondContact O-N 3.3Å; P213-R217 PolarHBondContact O-N 3.08Å; P213-W262 VanDerWaalsContact CD-CD2 3.44Å; P213-W262 HydrophobicContact CG-CB 4.2Å; P213-W262 HydrophobicContact CG-CD2 3.82Å; P213-W262 HydrophobicContact CG-CE3 3.77Å; P213-W262 HydrophobicContact CG-CG 4.01Å; P213-W262 HydrophobicContact CG-CZ3 4.49Å; P213-F318 HydrophobicContact CB-CE1 4.01Å; P213-F318 HydrophobicContact CB-CZ 3.99Å; P213-F318 HydrophobicContact CG-CE1 3.95Å; P213-F318 HydrophobicContact CG-CZ 4Å
214K98.1Very high97.5Very high126 Ų12648.7 Ų48.755%0.54823%0.228SC..Hα-helixtrans-57.5-27.8-176.6-173172.5-175.8171.80113.2L139 G140 T212 K218L139-K214 VanDerWaalsContact O-CB 3.32Å; L139-K214 WeakPolarHBondContact O-CB 3.16Å; L139-K214 PolarHBondContact O-N 3.13Å; G140-K214 PolarHBondContact O-N 3.02Å; T212-K214 PolarHBondContact O-N 3.18Å; K214-K218 WeakPolarHBondContact O-CB 3.39Å; K214-K218 WeakPolarHBondContact O-CG 3.42Å; K214-K218 PolarHBondContact O-N 2.92Å
215I98Very high97.4Very high9 Ų948.8 Ų48.85%0.04623%0.227CC..Hα-helixtrans-73.2-34.4174.8-167.856.8000113L117 V119 L122 P213 K218 L219 F318L117-I215 HydrophobicContact CD2-CG2 3.98Å; L117-I215 HydrophobicContact CG-CB 4.38Å; L117-I215 HydrophobicContact CG-CG1 4.29Å; L117-I215 HydrophobicContact CG-CG2 4.1Å; V119-I215 HydrophobicContact CB-CD1 4.49Å; V119-I215 HydrophobicContact CG2-CD1 3.77Å; L122-I215 HydrophobicContact CD1-CD1 4Å; L122-I215 HydrophobicContact CD1-CG1 3.61Å; P213-I215 HydrophobicContact CB-CG2 4.22Å; P213-I215 PolarHBondContact O-N 3.28Å; I215-K218 PolarHBondContact O-N 2.94Å; I215-L219 HydrophobicContact CD1-CD1 4.06Å; I215-L219 HydrophobicContact CD1-CG 4.32Å; I215-L219 HydrophobicContact CG1-CD1 4.09Å; I215-L219 WeakPolarHBondContact O-CB 3.38Å; I215-L219 WeakPolarHBondContact O-CG 3.37Å; I215-L219 PolarHBondContact O-N 3.25Å; I215-F318 HydrophobicContact CG2-CE1 3.89Å; I215-F318 HydrophobicContact CG2-CZ 4.19Å
216V98.1Very high97.4Very high1 Ų141 Ų411%0.00620%0.198CC..Hα-helixtrans-65.5-52.2176.1174.40000109.2P213 K218 L219 S220 W262 F318 F340P213-V216 HydrophobicContact CB-CG2 3.98Å; P213-V216 HydrophobicContact CG-CG2 4.06Å; P213-V216 WeakPolarHBondContact O-CA 3.28Å; P213-V216 WeakPolarHBondContact O-CB 3.47Å; P213-V216 PolarHBondContact O-N 3.3Å; V216-K218 PolarHBondContact O-N 3.19Å; V216-L219 PolarHBondContact O-N 2.96Å; V216-S220 VanDerWaalsContact O-CB 3.26Å; V216-S220 WeakPolarHBondContact O-CB 3.37Å; V216-S220 PolarHBondContact O-N 3.38Å; V216-W262 HydrophobicContact CG2-CB 3.87Å; V216-W262 HydrophobicContact CG2-CG 3.87Å; V216-F318 HydrophobicContact CG2-CE1 4.02Å; V216-F340 HydrophobicContact CG1-CB 4.04Å; V216-F340 HydrophobicContact CG1-CD1 3.8Å; V216-F340 HydrophobicContact CG1-CD2 4.21Å; V216-F340 HydrophobicContact CG1-CE1 4.3Å; V216-F340 HydrophobicContact CG1-CG 3.78Å; V216-F340 HydrophobicContact CG2-CD1 4.15Å; V216-F340 HydrophobicContact CG2-CE1 3.8Å; V216-F340 HydrophobicContact CG2-CE2 4.46Å; V216-F340 HydrophobicContact CG2-CZ 3.96Å
217R97.3Very high97.2Very high67 Ų6743.3 Ų43.325%0.25321%0.213SC..Hα-helixtrans-61.4-30.5178.3-65.2-179.8-74.1145.8-15.5113.2G140 E211 T212 P213 E223 N224G140-R217 PolarHBondContact O-NH2 2.88Å; E211-R217 VanDerWaalsContact CD-CZ 3.46Å; E211-R217 VanDerWaalsContact CG-NH2 3.34Å; E211-R217 IonicContact OE1-CZ 3.96Å; E211-R217 IonicContact OE1-NE 2.74Å; E211-R217 IonicContact OE1-NH1 3.26Å; E211-R217 PolarHBondContact OE1-NH1 3.29Å; E211-R217 IonicContact OE1-NH2 2.66Å; E211-R217 PolarHBondContact OE1-NH2 3.32Å; T212-R217 PolarHBondContact O-NE 2.91Å; T212-R217 PolarHBondContact O-NH2 3.41Å; T212-R217 WeakPolarHBondContact OG1-CD 3.4Å; T212-R217 WeakPolarHBondContact OG1-CG 3.22Å; P213-R217 PolarHBondContact O-N 3.08Å; R217-E223 HydrophobicContact CB-CG 4.35Å; R217-E223 HydrophobicContact CG-CG 4.47Å; R217-N224 PolarHBondContact O-ND2 3.4Å
218K97.6Very high96.7Very high122 Ų12251.9 Ų51.953%0.5325%0.251SS..Hα-helixtrans-73.2-22.2173.5-86.4-171.7167.3-160.80115.2V119 K214 I215 V216V119-K218 HydrophobicContact CG2-CB 4.08Å; V119-K218 HydrophobicContact CG2-CD 3.84Å; K214-K218 WeakPolarHBondContact O-CB 3.39Å; K214-K218 WeakPolarHBondContact O-CG 3.42Å; K214-K218 PolarHBondContact O-N 2.92Å; I215-K218 PolarHBondContact O-N 2.94Å; V216-K218 PolarHBondContact O-N 3.19Å
219L97.6Very high96.2Very high22 Ų2254.4 Ų54.412%0.11526%0.258CS..Hα-helixtrans-111.2-25.8-173.8-70.5179.6000113.5V119 L122 I215 V216 W221 F340 H342 L344V119-L219 HydrophobicContact CG1-CD2 4.31Å; V119-L219 HydrophobicContact CG2-CD2 4.22Å; L122-L219 HydrophobicContact CD1-CD1 3.8Å; I215-L219 HydrophobicContact CD1-CD1 4.06Å; I215-L219 HydrophobicContact CD1-CG 4.32Å; I215-L219 HydrophobicContact CG1-CD1 4.09Å; I215-L219 WeakPolarHBondContact O-CB 3.38Å; I215-L219 WeakPolarHBondContact O-CG 3.37Å; I215-L219 PolarHBondContact O-N 3.25Å; V216-L219 PolarHBondContact O-N 2.96Å; L219-W221 PolarHBondContact O-N 3.13Å; L219-F340 HydrophobicContact CB-CD2 4.29Å; L219-F340 HydrophobicContact CB-CE2 4.1Å; L219-F340 HydrophobicContact CD1-CE2 4.38Å; L219-H342 HydrophobicContact CB-CB 3.92Å; L219-H342 WeakPolarHBondContact O-CA 3.49Å; L219-H342 WeakPolarHBondContact O-CB 3.49Å; L219-L344 HydrophobicContact CD1-CD1 4.02Å; L219-L344 HydrophobicContact CD2-CD1 4.48Å
220S98.3Very high95.8Very high1 Ų153.3 Ų53.31%0.00725%0.254CS..  trans-59.1119.7-177175.40000112V216 E223 N224 Q238 L341V216-S220 VanDerWaalsContact O-CB 3.26Å; V216-S220 WeakPolarHBondContact O-CB 3.37Å; V216-S220 PolarHBondContact O-N 3.38Å; S220-E223 PolarHBondContact O-N 2.94Å; S220-E223 PolarHBondContact OG-N 3.13Å; S220-N224 PolarHBondContact O-N 3.04Å; S220-N224 VanDerWaalsContact O-N 3.15Å; S220-N224 PolarHBondContact O-ND2 3.32Å; S220-Q238 PolarHBondContact OG-OE1 3.26Å; S220-L341 CarbonylContact C-O 3.59Å; S220-L341 WeakPolarHBondContact CA-O 3.21Å
221W98.2Very high95.4Very high3 Ų359.4 Ų59.41%0.01129%0.291CS..Hα-helixtrans-60.6-42.8175-71.2-12000112.6L219 E223 N224 L225 L341 S343 I346 Q349 V373 V377L219-W221 PolarHBondContact O-N 3.13Å; W221-E223 VanDerWaalsContact C-N 3.29Å; W221-E223 PolarHBondContact O-N 3.01Å; W221-N224 PolarHBondContact O-N 2.84Å; W221-L225 HydrophobicContact CB-CD1 4.4Å; W221-L225 HydrophobicContact CG-CD1 4.43Å; W221-L225 WeakPolarHBondContact O-CA 3.46Å; W221-L225 WeakPolarHBondContact O-CB 3.33Å; W221-L225 PolarHBondContact O-N 3.05Å; W221-L341 HydrophobicContact CB-CB 4.31Å; W221-L341 HydrophobicContact CD2-CB 3.65Å; W221-L341 HydrophobicContact CE3-CB 3.34Å; W221-L341 HydrophobicContact CE3-CD1 3.7Å; W221-L341 HydrophobicContact CE3-CG 4.13Å; W221-L341 HydrophobicContact CG-CB 4.08Å; W221-L341 HydrophobicContact CZ3-CB 3.99Å; W221-L341 HydrophobicContact CZ3-CD1 3.99Å; W221-L341 PolarHBondContact N-O 3.45Å; W221-S343 PolarHBondContact NE1-OG 2.78Å; W221-S343 VanDerWaalsContact NE1-OG 3.08Å; W221-I346 HydrophobicContact CH2-CG2 4.05Å; W221-I346 HydrophobicContact CZ2-CD1 4.03Å; W221-I346 HydrophobicContact CZ2-CG1 3.94Å; W221-I346 HydrophobicContact CZ2-CG2 4.19Å; W221-Q349 VanDerWaalsContact CZ3-NE2 3.27Å; W221-V373 HydrophobicContact CB-CG2 3.67Å; W221-V373 HydrophobicContact CE3-CG1 4.27Å; W221-V373 HydrophobicContact CE3-CG2 4.04Å; W221-V377 HydrophobicContact CB-CG2 4.01Å; W221-V377 HydrophobicContact CD2-CB 4.42Å; W221-V377 HydrophobicContact CD2-CG1 4.42Å; W221-V377 HydrophobicContact CD2-CG2 3.29Å; W221-V377 HydrophobicContact CE3-CG2 3.61Å; W221-V377 HydrophobicContact CG-CG2 3.51Å; W221-V377 HydrophobicContact CH2-CG1 4.23Å; W221-V377 HydrophobicContact CH2-CG2 4.3Å; W221-V377 HydrophobicContact CZ2-CB 4.4Å; W221-V377 HydrophobicContact CZ2-CG1 3.71Å; W221-V377 HydrophobicContact CZ2-CG2 4.07Å; W221-V377 HydrophobicContact CZ3-CG2 4.1Å
222V96.7Very high95.1Very high4 Ų458.5 Ų58.52%0.02429%0.286CS..Hα-helixtrans-63.8-40.5179-179.80000110.2W226 R234 P235 F367 V373V222-W226 HydrophobicContact CG1-CB 4.12Å; V222-W226 HydrophobicContact CG1-CG 4.45Å; V222-W226 WeakPolarHBondContact O-CB 3.42Å; V222-W226 PolarHBondContact O-N 3.44Å; V222-R234 HydrophobicContact CG1-CG 3.71Å; V222-P235 HydrophobicContact CG2-CB 4.18Å; V222-P235 HydrophobicContact CG2-CG 4.27Å; V222-F367 HydrophobicContact CG2-CE1 4.4Å; V222-F367 HydrophobicContact CG2-CZ 3.82Å; V222-V373 HydrophobicContact CG2-CG2 4.45Å
223E94.8Very high94.8Very high78 Ų7865.4 Ų65.436%0.36432%0.318SS..Hα-helixtrans-67.9-38.4-177.2-159.159.2-157.100113.2R217 S220 W221 R234 Q238R217-E223 HydrophobicContact CB-CG 4.35Å; R217-E223 HydrophobicContact CG-CG 4.47Å; S220-E223 PolarHBondContact O-N 2.94Å; S220-E223 PolarHBondContact OG-N 3.13Å; W221-E223 VanDerWaalsContact C-N 3.29Å; W221-E223 PolarHBondContact O-N 3.01Å; E223-R234 IonicContact OE1-NH2 3.61Å; E223-R234 IonicContact OE2-CZ 3.48Å; E223-R234 IonicContact OE2-NH2 3.4Å; E223-R234 PolarHBondContact OE2-NH2 3.14Å; E223-Q238 PolarHBondContact OE2-NE2 3.29Å
224N96.6Very high94.6Very high95 Ų9569.4 Ų69.451%0.50833%0.333SS..Hα-helixtrans-98.4-22-173.7-66.2-92.2000114.2R217 S220 W221R217-N224 PolarHBondContact O-ND2 3.4Å; S220-N224 PolarHBondContact O-N 3.04Å; S220-N224 VanDerWaalsContact O-N 3.15Å; S220-N224 PolarHBondContact O-ND2 3.32Å; W221-N224 PolarHBondContact O-N 2.84Å
225L96Very high94.5Very high31 Ų3163.6 Ų63.616%0.16231%0.308CS..Hα-helixtrans-129.2-9.5-164-47.4175.3000114.9W221 P227 V377 H380W221-L225 HydrophobicContact CB-CD1 4.4Å; W221-L225 HydrophobicContact CG-CD1 4.43Å; W221-L225 WeakPolarHBondContact O-CA 3.46Å; W221-L225 WeakPolarHBondContact O-CB 3.33Å; W221-L225 PolarHBondContact O-N 3.05Å; L225-P227 WeakPolarHBondContact O-CD 3.26Å; L225-V377 HydrophobicContact CD1-CB 4.37Å; L225-V377 HydrophobicContact CD1-CG2 3.61Å; L225-H380 HydrophobicContact CD1-CB 4.36Å; L225-H380 HydrophobicContact CD2-CB 3.99Å; L225-H380 VanDerWaalsContact CD2-CG 3.48Å; L225-H380 VanDerWaalsContact CD2-ND1 3.25Å; L225-H380 WeakPolarHBondContact CD2-ND1 3.38Å
226W95.6Very high94.3Very high18 Ų1865.5 Ų65.57%0.06832%0.319CS..  trans-79.4118.9177.5-164.6-84.4000110.8V222 F232 E233 R234 P235 N369 T372 V373 Y376V222-W226 HydrophobicContact CG1-CB 4.12Å; V222-W226 HydrophobicContact CG1-CG 4.45Å; V222-W226 WeakPolarHBondContact O-CB 3.42Å; V222-W226 PolarHBondContact O-N 3.44Å; W226-F232 HydrophobicContact CH2-CB 3.91Å; W226-F232 HydrophobicContact CZ2-CB 3.58Å; W226-F232 WeakPolarHBondContact CZ2-O 3.49Å; W226-E233 WeakPolarHBondContact CZ2-O 3.35Å; W226-R234 HydrophobicContact CG-CG 4.29Å; W226-P235 HydrophobicContact CE3-CG 4.3Å; W226-P235 HydrophobicContact CH2-CG 4.09Å; W226-P235 HydrophobicContact CZ3-CG 3.92Å; W226-N369 HydrophobicContact CH2-CB 3.65Å; W226-N369 HydrophobicContact CZ3-CB 4.26Å; W226-T372 HydrophobicContact CH2-CG2 3.8Å; W226-T372 HydrophobicContact CZ3-CG2 4.17Å; W226-V373 HydrophobicContact CE3-CB 4.12Å; W226-V373 HydrophobicContact CE3-CG2 4.42Å; W226-V373 HydrophobicContact CZ3-CB 3.92Å; W226-Y376 HydrophobicContact CE3-CD2 4.29Å; W226-Y376 HydrophobicContact CE3-CE2 4.35Å; W226-Y376 HydrophobicContact CZ3-CD2 4.49Å; W226-Y376 HydrophobicContact CZ3-CE2 4.4Å
227P93.6Very high94.3Very high48 Ų4865.7 Ų65.731%0.31232%0.32SS..  trans-69.2142.3-178.2-18.632.8000112.7L225 E229 S230 Y376L225-P227 WeakPolarHBondContact O-CD 3.26Å; P227-E229 VanDerWaalsContact C-N 3.33Å; P227-S230 WeakPolarHBondContact O-CB 3.42Å; P227-S230 PolarHBondContact O-N 2.8Å; P227-Y376 HydrophobicContact CG-CD1 4.1Å; P227-Y376 HydrophobicContact CG-CE1 3.6Å; P227-Y376 HydrophobicContact CG-CE2 4.24Å
228E88.1Confident94.2Very high198 Ų19863.2 Ų63.293%0.92531%0.311SS*.THydrogen-bonded Turntrans-62.8-39.7171.6-64.3175.2-177.700111.7S230E228-S230 PolarHBondContact O-N 2.9Å
229E86.1Confident94.2Very high194 Ų19458.7 Ų58.791%0.90729%0.292SS*.THydrogen-bonded Turntrans-82.926.2176.2-57.7-174.515500113P227P227-E229 VanDerWaalsContact C-N 3.33Å
230S88.3Confident94.2Very high26 Ų2659.2 Ų59.218%0.18229%0.292CS..  trans-70138.8176.3178.20000111.6P227 E228 F232P227-S230 WeakPolarHBondContact O-CB 3.42Å; P227-S230 PolarHBondContact O-N 2.8Å; E228-S230 PolarHBondContact O-N 2.9Å; S230-F232 VanDerWaalsContact C-N 3.29Å; S230-F232 WeakPolarHBondContact CB-O 3.35Å; S230-F232 PolarHBondContact OG-N 2.77Å; S230-F232 PolarHBondContact OG-O 3.09Å
231V90.5Very high94.2Very high131 Ų13159.1 Ų59.179%0.79429%0.292SS*.SBendtrans-75.1-24.1169-1770000111.1
232F91.9Very high94.3Very high50 Ų5059.8 Ų59.822%0.21930%0.295CS..SBendtrans-87140175.1-60.1-91.4000110.9W226 S230 T372 M424W226-F232 HydrophobicContact CH2-CB 3.91Å; W226-F232 HydrophobicContact CZ2-CB 3.58Å; W226-F232 WeakPolarHBondContact CZ2-O 3.49Å; S230-F232 VanDerWaalsContact C-N 3.29Å; S230-F232 WeakPolarHBondContact CB-O 3.35Å; S230-F232 PolarHBondContact OG-N 2.77Å; S230-F232 PolarHBondContact OG-O 3.09Å; F232-T372 HydrophobicContact CB-CG2 4.15Å; F232-T372 HydrophobicContact CD1-CG2 4.19Å; F232-T372 HydrophobicContact CD2-CG2 3.57Å; F232-T372 HydrophobicContact CE2-CG2 3.97Å; F232-T372 HydrophobicContact CG-CG2 3.7Å; F232-T372 HydrophobicContact CZ-CG2 4.43Å; F232-M424 WeakPolarHBondContact CE1-O 3.03Å; F232-M424 WeakPolarHBondContact CZ-O 3.43Å
233E92.2Very high94.3Very high150 Ų15059.6 Ų59.670%0.70129%0.294SS*.PPolyproline II helixtrans-61.1136.1174.5-173.2169.8-164.600111.9W226 P235 N369W226-E233 WeakPolarHBondContact CZ2-O 3.35Å; E233-P235 WeakPolarHBondContact O-CD 3.41Å; E233-N369 PolarHBondContact O-ND2 2.93Å
234R94Very high94.4Very high84 Ų8455.9 Ų55.932%0.31728%0.277SS..PPolyproline II helixtrans-68.1125.9-178.4-176.3-176.1-180100-10.2109.5V222 E223 W226 N236V222-R234 HydrophobicContact CG1-CG 3.71Å; E223-R234 IonicContact OE1-NH2 3.61Å; E223-R234 IonicContact OE2-CZ 3.48Å; E223-R234 IonicContact OE2-NH2 3.4Å; E223-R234 PolarHBondContact OE2-NH2 3.14Å; W226-R234 HydrophobicContact CG-CG 4.29Å; R234-N236 PolarHBondContact O-N 3.5Å
235P95.1Very high94.5Very high3 Ų351.5 Ų51.52%0.01925%0.253CS..  trans-66.393.9178.2-2436000112.3V222 W226 E233 V237 F367 P368 N369V222-P235 HydrophobicContact CG2-CB 4.18Å; V222-P235 HydrophobicContact CG2-CG 4.27Å; W226-P235 HydrophobicContact CE3-CG 4.3Å; W226-P235 HydrophobicContact CH2-CG 4.09Å; W226-P235 HydrophobicContact CZ3-CG 3.92Å; E233-P235 WeakPolarHBondContact O-CD 3.41Å; P235-V237 PolarHBondContact O-N 3.26Å; P235-V237 VanDerWaalsContact O-N 3.15Å; P235-F367 HydrophobicContact CB-CE1 3.83Å; P235-F367 HydrophobicContact CB-CZ 3.97Å; P235-F367 HydrophobicContact CG-CE1 3.98Å; P235-F367 HydrophobicContact CG-CZ 4.49Å; P235-P368 HydrophobicContact CB-CB 4.16Å; P235-P368 HydrophobicContact CG-CB 4.4Å; P235-P368 WeakPolarHBondContact CG-O 3.24Å; P235-N369 HydrophobicContact CG-CB 4.43Å
236N95Very high94.5Very high50 Ų5055.4 Ų55.427%0.26727%0.269SS..  trans-79.791.7174.4-71.4-23.3000108.9E200 E203 R234E200-N236 WeakPolarHBondContact CG-O 3.43Å; E203-N236 PolarHBondContact OE1-ND2 3.15Å; R234-N236 PolarHBondContact O-N 3.5Å
237V96.1Very high94.6Very high5 Ų556.6 Ų56.63%0.0328%0.277CS..  trans-135.615.5179.5-60.40000112.1P235 Y240 F256 N339 F367 P368P235-V237 PolarHBondContact O-N 3.26Å; P235-V237 VanDerWaalsContact O-N 3.15Å; V237-Y240 HydrophobicContact CB-CE2 4.24Å; V237-Y240 VanDerWaalsContact O-CE2 3.3Å; V237-Y240 WeakPolarHBondContact O-CE2 3.33Å; V237-F256 HydrophobicContact CB-CE2 3.99Å; V237-F256 HydrophobicContact CB-CZ 3.98Å; V237-F256 HydrophobicContact CG1-CE2 3.89Å; V237-F256 HydrophobicContact CG1-CZ 4.06Å; V237-F256 HydrophobicContact CG2-CE2 4.24Å; V237-N339 HydrophobicContact CG2-CB 4.38Å; V237-N339 PolarHBondContact O-N 3.38Å; V237-F367 HydrophobicContact CG2-CD2 4.48Å; V237-F367 HydrophobicContact CG2-CE2 3.75Å; V237-F367 HydrophobicContact CG2-CZ 4.23Å; V237-P368 HydrophobicContact CG1-CG 4.33Å
238Q95.3Very high94.8Very high15 Ų1554.3 Ų54.37%0.0726%0.262CS..SBendtrans-97.2-14.7-169.8-68.6-168.693.200113.6E200 T212 S220 E223 W262E200-Q238 PolarHBondContact OE1-N 2.84Å; T212-Q238 HydrophobicContact CG2-CB 4.46Å; T212-Q238 WeakPolarHBondContact CG2-O 3.22Å; S220-Q238 PolarHBondContact OG-OE1 3.26Å; E223-Q238 PolarHBondContact OE2-NE2 3.29Å; Q238-W262 PolarHBondContact O-NE1 3.31Å
239K98.1Very high95.3Very high27 Ų2744.9 Ų44.912%0.11722%0.218CC..  trans-135.691.3-176.7-58.8-171.3-171-174.20111.5E200 F201 S207 V210 T212E200-K239 WeakPolarHBondContact CA-O 3.45Å; E200-K239 PolarHBondContact OE1-N 3.03Å; E200-K239 VanDerWaalsContact OE1-N 3.15Å; F201-K239 HydrophobicContact CD1-CB 4.22Å; F201-K239 WeakPolarHBondContact CD1-O 3.45Å; F201-K239 HydrophobicContact CD2-CB 4.33Å; F201-K239 VanDerWaalsContact CE1-C 3.5Å; F201-K239 HydrophobicContact CE1-CB 3.83Å; F201-K239 WeakPolarHBondContact CE1-O 3.45Å; F201-K239 HydrophobicContact CE2-CB 3.97Å; F201-K239 HydrophobicContact CE2-CD 4.07Å; F201-K239 HydrophobicContact CG-CB 4.45Å; F201-K239 HydrophobicContact CZ-CB 3.7Å; F201-K239 HydrophobicContact CZ-CD 4.42Å; F201-K239 HydrophobicContact CZ-CG 4.48Å; F201-K239 PolarHBondContact N-O 3.2Å; S207-K239 PolarHBondContact O-NZ 2.99Å; S207-K239 PolarHBondContact OG-NZ 3.02Å; V210-K239 WeakPolarHBondContact O-CE 3.25Å; V210-K239 PolarHBondContact O-NZ 3.24Å; T212-K239 HydrophobicContact CG2-CG 4.02Å
240Y98.4Very high95.8Very high32 Ų3236.6 Ų36.613%0.12518%0.181CC..EExtended strand (participates in β ladder)trans-102.9137.7171.3-67.1-72.4000112.1L199 E200 F201 V237 F256 F336 G337L199-Y240 WeakPolarHBondContact O-CA 3.4Å; E200-Y240 HydrophobicContact CB-CD1 3.89Å; E200-Y240 HydrophobicContact CB-CE1 3.62Å; E200-Y240 HydrophobicContact CG-CD1 3.91Å; E200-Y240 HydrophobicContact CG-CE1 3.54Å; F201-Y240 VanDerWaalsContact CE1-C 3.48Å; V237-Y240 HydrophobicContact CB-CE2 4.24Å; V237-Y240 VanDerWaalsContact O-CE2 3.3Å; V237-Y240 WeakPolarHBondContact O-CE2 3.33Å; Y240-F256 HydrophobicContact CE2-CZ 4.22Å; Y240-F336 WeakPolarHBondContact O-CA 3.21Å; Y240-G337 PolarHBondContact N-O 3.04Å; Y240-G337 PolarHBondContact O-N 3Å
241C98.6Very high96.3Very high0 Ų036.1 Ų36.10%018%0.176CC..EExtended strand (participates in β ladder)trans-105.3113.2172-179.70000109.2L199 F201 F336L199-C241 HydrophobicContact CD2-CB 4.44Å; L199-C241 HydrophobicContact CG-CB 4.41Å; L199-C241 PolarHBondContact O-N 3.24Å; F201-C241 HydrophobicContact CD1-CB 3.72Å; F201-C241 HydrophobicContact CE1-CB 3.89Å; C241-F336 HydrophobicContact CB-CD1 4.43Å; C241-F336 HydrophobicContact CB-CE1 4.05Å
242L98.5Very high96.6Very high16 Ų1630.1 Ų30.18%0.08414%0.139CC..EExtended strand (participates in β ladder)trans-106.6120.2-172.8-55.299000110.5V196 I197 Y263 A335V196-L242 CarbonylContact O-C 3.59Å; V196-L242 WeakPolarHBondContact O-CA 3.36Å; I197-L242 HydrophobicContact CB-CD2 3.92Å; I197-L242 HydrophobicContact CG2-CD2 4.12Å; L242-Y263 HydrophobicContact CD1-CE2 4.14Å; L242-Y263 HydrophobicContact CD2-CE2 3.74Å; L242-A335 HydrophobicContact CB-CB 4.39Å; L242-A335 PolarHBondContact N-O 3.13Å; L242-A335 PolarHBondContact O-N 2.9Å
243M98.4Very high96.8Very high0 Ų030.5 Ų30.50%014%0.141CC..EExtended strand (participates in β ladder)trans-124.6103.7-176.2-58.5178.1-66.800108.7V150 V153 L178 F181 Y185 V196 L199 L334V150-M243 HydrophobicContact CB-SD 4.11Å; V150-M243 HydrophobicContact CG1-CG 4.15Å; V150-M243 HydrophobicContact CG1-SD 3.78Å; V153-M243 HydrophobicContact CB-SD 4.23Å; V153-M243 HydrophobicContact CG1-CE 4.33Å; V153-M243 HydrophobicContact CG1-SD 4.08Å; V153-M243 HydrophobicContact CG2-SD 4.2Å; L178-M243 HydrophobicContact CD1-CE 3.81Å; F181-M243 HydrophobicContact CD1-CE 3.95Å; F181-M243 HydrophobicContact CE1-CB 3.67Å; F181-M243 HydrophobicContact CE1-CE 3.89Å; F181-M243 HydrophobicContact CE1-SD 4.25Å; F181-M243 HydrophobicContact CZ-CB 4.11Å; Y185-M243 HydrophobicContact CE2-CB 4.44Å; V196-M243 HydrophobicContact CB-CB 4.24Å; V196-M243 HydrophobicContact CB-CE 4.21Å; V196-M243 HydrophobicContact CG1-CE 4.07Å; V196-M243 HydrophobicContact CG2-CE 4.27Å; V196-M243 PolarHBondContact N-O 2.85Å; V196-M243 PolarHBondContact O-N 3.15Å; L199-M243 HydrophobicContact CD2-CE 3.73Å; M243-L334 HydrophobicContact CG-CD1 3.76Å
244G96.4Very high97.1Very high0 Ų024.3 Ų24.30%011%0.113CC..EExtended strand (participates in β ladder)trans-124.6130.8-178.700000110.9N195 C333N195-G244 VanDerWaalsContact OD1-CA 3.24Å; N195-G244 WeakPolarHBondContact OD1-CA 3.22Å; G244-C333 PolarHBondContact N-O 3.19Å; G244-C333 PolarHBondContact O-N 3.01Å
245V97.7Very high97.3Very high3 Ų321.2 Ų21.22%0.01810%0.103CC..  trans-73165.4170.6-57.20000111.2Y184 Y185 V193 S248 T329 D332Y184-V245 HydrophobicContact CE1-CG1 3.83Å; Y185-V245 HydrophobicContact CD2-CG1 3.86Å; Y185-V245 HydrophobicContact CE2-CG1 4.12Å; V193-V245 HydrophobicContact CG1-CG2 3.93Å; V245-S248 WeakPolarHBondContact CG2-OG 3.45Å; V245-S248 WeakPolarHBondContact O-CB 3.4Å; V245-S248 PolarHBondContact O-N 2.98Å; V245-S248 VanDerWaalsContact O-N 3.13Å; V245-S248 PolarHBondContact O-OG 3.4Å; V245-T329 WeakPolarHBondContact O-CB 3.4Å; V245-T329 WeakPolarHBondContact O-CG2 3.2Å; V245-D332 WeakPolarHBondContact CA-OD1 3.44Å
246K97.4Very high97.2Very high113 Ų11323 Ų2349%0.49111%0.11SC..THydrogen-bonded Turntrans-49.1138.7168.6-178.7-166.5168.2-159.20110.9S248 D332K246-S248 PolarHBondContact O-N 3.35Å; K246-D332 WeakPolarHBondContact CB-OD1 3.4Å; K246-D332 PolarHBondContact N-OD1 3.05Å
247D97.2Very high97.2Very high43 Ų4320.6 Ų20.623%0.2310%0.097CC..THydrogen-bonded Turntrans69.62.4-178-64.9-56.5000115.1V94 R98 Y249 T329V94-D247 HydrophobicContact CG1-CB 3.96Å; V94-D247 WeakPolarHBondContact CG1-OD1 3.38Å; R98-D247 IonicContact CZ-OD1 3.69Å; R98-D247 IonicContact NE-OD1 3.99Å; R98-D247 PolarHBondContact NE-OD1 3.07Å; R98-D247 IonicContact NH2-OD1 3.21Å; R98-D247 PolarHBondContact NH2-OD1 3.02Å; R98-D247 IonicContact NH2-OD2 2.72Å; D247-Y249 PolarHBondContact O-N 2.97Å; D247-T329 PolarHBondContact N-O 3.24Å
248S98.2Very high97.2Very high0 Ų020.3 Ų20.30%010%0.096CC..  trans-63.3132.3170.9-710000112.7V193 L194 V245 K246 T329V193-S248 VanDerWaalsContact CG1-OG 3.31Å; V193-S248 WeakPolarHBondContact CG1-OG 3.3Å; L194-S248 PolarHBondContact O-OG 2.97Å; L194-S248 VanDerWaalsContact O-OG 3.09Å; V245-S248 WeakPolarHBondContact CG2-OG 3.45Å; V245-S248 WeakPolarHBondContact O-CB 3.4Å; V245-S248 PolarHBondContact O-N 2.98Å; V245-S248 VanDerWaalsContact O-N 3.13Å; V245-S248 PolarHBondContact O-OG 3.4Å; K246-S248 PolarHBondContact O-N 3.35Å; S248-T329 WeakPolarHBondContact O-CB 3.48Å; S248-T329 PolarHBondContact O-N 2.89Å; S248-T329 PolarHBondContact O-OG1 3.4Å
249Y98.3Very high97.4Very high0 Ų019.7 Ų19.70%09%0.093CC..EExtended strand (participates in β ladder)trans-133.4133-175.4179.1-97000112T88 F93 L97 V168 Q171 D247 D251 A326 V327 L328T88-Y249 HydrophobicContact CG2-CD1 4.08Å; T88-Y249 HydrophobicContact CG2-CE1 3.65Å; F93-Y249 HydrophobicContact CD1-CD1 4.47Å; F93-Y249 AromaticContact CE1-CD1 3.62Å; F93-Y249 HydrophobicContact CE1-CD1 3.62Å; F93-Y249 HydrophobicContact CE1-CD2 4.05Å; F93-Y249 AromaticContact CE1-CE1 3.43Å; F93-Y249 HydrophobicContact CE1-CE1 3.43Å; F93-Y249 VanDerWaalsContact CE1-CE1 3.43Å; F93-Y249 AromaticContact CE1-CE2 3.89Å; F93-Y249 HydrophobicContact CE1-CE2 3.89Å; F93-Y249 AromaticContact CE1-CG 3.92Å; F93-Y249 HydrophobicContact CE1-CG 3.92Å; F93-Y249 AromaticContact CE1-CZ 3.57Å; F93-Y249 HydrophobicContact CZ-CD1 4.28Å; F93-Y249 AromaticContact CZ-CE1 3.62Å; F93-Y249 HydrophobicContact CZ-CE1 3.62Å; F93-Y249 HydrophobicContact CZ-CE2 4.21Å; F93-Y249 AromaticContact CZ-CZ 3.57Å; L97-Y249 HydrophobicContact CD2-CD2 3.57Å; L97-Y249 HydrophobicContact CD2-CE2 3.34Å; V168-Y249 VanDerWaalsContact CG1-N 3.28Å; Q171-Y249 PolarHBondContact NE2-O 3.06Å; D247-Y249 PolarHBondContact O-N 2.97Å; Y249-D251 HydrophobicContact CD1-CB 4.49Å; Y249-D251 HydrophobicContact CE1-CB 3.62Å; Y249-D251 WeakPolarHBondContact CE1-OD1 3.4Å; Y249-D251 PolarHBondContact OH-OD1 3.07Å; Y249-A326 HydrophobicContact CE2-CB 4.09Å; Y249-A326 WeakPolarHBondContact OH-CB 3.13Å; Y249-V327 WeakPolarHBondContact CA-O 3.44Å; Y249-V327 WeakPolarHBondContact CD2-O 3.36Å; Y249-L328 HydrophobicContact CD2-CB 4.24Å
250T97.2Very high97.4Very high21 Ų2118.4 Ų18.413%0.1299%0.088CC..EExtended strand (participates in β ladder)trans-114.8125.1169.5-59.50000107.6N195 I197 A326 V327N195-T250 PolarHBondContact ND2-OG1 2.8Å; I197-T250 HydrophobicContact CD1-CG2 4.2Å; T250-A326 WeakPolarHBondContact O-CA 3.3Å; T250-V327 PolarHBondContact N-O 2.93Å; T250-V327 PolarHBondContact O-N 2.7Å
251D97.3Very high97.4Very high15 Ų1517.3 Ų17.38%0.088%0.084CC..EExtended strand (participates in β ladder)trans-74.2177.5-174.1-150.65.5000113.8T88 Y249 H253 W288T88-D251 HydrophobicContact CG2-CB 3.93Å; T88-D251 WeakPolarHBondContact CG2-OD2 3.45Å; Y249-D251 HydrophobicContact CD1-CB 4.49Å; Y249-D251 HydrophobicContact CE1-CB 3.62Å; Y249-D251 WeakPolarHBondContact CE1-OD1 3.4Å; Y249-D251 PolarHBondContact OH-OD1 3.07Å; D251-H253 PolarHBondContact O-N 3.07Å; D251-H253 PolarHBondContact O-ND1 2.99Å; D251-W288 WeakPolarHBondContact OD2-CZ2 3.42Å
252F97.9Very high97.4Very high6 Ų617.4 Ų17.43%0.0268%0.084CC..EExtended strand (participates in β ladder)trans-59.6123.8-176.6-70.1-83.3000112.1I275 W288 F298 F299 I324 H325 A326F252-I275 HydrophobicContact CD1-CD1 3.73Å; F252-I275 HydrophobicContact CE1-CD1 3.45Å; F252-I275 VanDerWaalsContact CE1-CD1 3.45Å; F252-I275 HydrophobicContact CE1-CG1 4.2Å; F252-I275 HydrophobicContact CZ-CD1 4.18Å; F252-W288 HydrophobicContact CB-CH2 3.91Å; F252-W288 HydrophobicContact CB-CZ3 4.07Å; F252-W288 WeakPolarHBondContact O-CH2 3.4Å; F252-W288 WeakPolarHBondContact O-CZ3 3.36Å; F252-F298 AromaticContact CE2-CD2 3.85Å; F252-F298 HydrophobicContact CE2-CD2 3.85Å; F252-F298 HydrophobicContact CE2-CE1 4.24Å; F252-F298 AromaticContact CE2-CE2 3.45Å; F252-F298 HydrophobicContact CE2-CE2 3.45Å; F252-F298 VanDerWaalsContact CE2-CE2 3.45Å; F252-F298 HydrophobicContact CE2-CG 4.4Å; F252-F298 AromaticContact CE2-CZ 3.67Å; F252-F298 HydrophobicContact CE2-CZ 3.67Å; F252-F298 HydrophobicContact CZ-CE1 4.29Å; F252-F298 AromaticContact CZ-CE2 3.93Å; F252-F298 HydrophobicContact CZ-CE2 3.93Å; F252-F298 AromaticContact CZ-CZ 3.7Å; F252-F298 HydrophobicContact CZ-CZ 3.7Å; F252-F299 HydrophobicContact CB-CB 4.12Å; F252-F299 HydrophobicContact CB-CD1 4.07Å; F252-F299 HydrophobicContact CB-CG 4.44Å; F252-F299 HydrophobicContact CD1-CD1 4.17Å; F252-F299 HydrophobicContact CD2-CB 3.6Å; F252-F299 HydrophobicContact CD2-CD1 4.43Å; F252-F299 HydrophobicContact CE2-CB 4.18Å; F252-F299 HydrophobicContact CG-CB 3.92Å; F252-F299 AromaticContact CG-CD1 3.96Å; F252-F299 HydrophobicContact CG-CD1 3.96Å; F252-F299 HydrophobicContact CG-CG 4.42Å; F252-I324 HydrophobicContact CB-CG2 4.17Å; F252-I324 HydrophobicContact CD1-CG2 4.19Å; F252-H325 VanDerWaalsContact CA-O 3.32Å; F252-H325 WeakPolarHBondContact CA-O 3.32Å; F252-A326 HydrophobicContact CB-CB 4.43Å; F252-A326 HydrophobicContact CD1-CB 3.66Å; F252-A326 HydrophobicContact CD2-CB 3.81Å; F252-A326 HydrophobicContact CE1-CB 3.74Å; F252-A326 HydrophobicContact CE2-CB 3.91Å; F252-A326 HydrophobicContact CG-CB 3.71Å; F252-A326 HydrophobicContact CZ-CB 3.87Å
253H96.7Very high97.4Very high57 Ų5717.3 Ų17.326%0.2648%0.083SC..EExtended strand (participates in β ladder)trans-143.9171.6175.960.9-72000110.7D251 I324 H325D251-H253 PolarHBondContact O-N 3.07Å; D251-H253 PolarHBondContact O-ND1 2.99Å; H253-I324 CarbonylContact O-C 3.58Å; H253-I324 WeakPolarHBondContact O-CA 3.34Å; H253-H325 AromaticContact CE1-CE1 3.76Å; H253-H325 AromaticContact CE1-NE2 3.55Å; H253-H325 PolarHBondContact N-O 2.95Å; H253-H325 PolarHBondContact ND1-O 3.39Å; H253-H325 VanDerWaalsContact ND1-O 3.17Å; H253-H325 AromaticContact NE2-CE1 3.43Å; H253-H325 PolarHBondContact NE2-CE1 3.43Å; H253-H325 AromaticContact NE2-NE2 3.55Å; H253-H325 PolarHBondContact O-N 2.93Å
254I97.6Very high97.4Very high21 Ų2117.5 Ų17.511%0.1088%0.084CC..  trans-113.5137.9163.7-61.6173.8000105.5L282 F285 I324 A352I254-L282 HydrophobicContact CD1-CD2 3.62Å; I254-F285 HydrophobicContact CB-CE1 4.49Å; I254-F285 HydrophobicContact CD1-CD1 3.72Å; I254-F285 HydrophobicContact CD1-CE1 3.69Å; I254-F285 HydrophobicContact CD1-CG 4.45Å; I254-F285 HydrophobicContact CD1-CZ 4.4Å; I254-F285 HydrophobicContact CG1-CD1 4.23Å; I254-F285 HydrophobicContact CG1-CE1 3.86Å; I254-F285 HydrophobicContact CG1-CZ 4.06Å; I254-I324 HydrophobicContact CD1-CG1 3.73Å; I254-I324 HydrophobicContact CG1-CB 4.3Å; I254-I324 HydrophobicContact CG1-CG1 3.55Å; I254-A352 HydrophobicContact CG2-CB 4.29Å
255D97.2Very high97.5Very high19 Ų1917.5 Ų17.510%0.1028%0.084CC..  trans-59.2141.4174.8-72.6-83.4000112.6G258 T259 V261 H325 N339D255-G258 WeakPolarHBondContact O-CA 3.37Å; D255-G258 PolarHBondContact O-N 3.03Å; D255-T259 WeakPolarHBondContact CB-OG1 3.3Å; D255-T259 PolarHBondContact O-N 2.82Å; D255-V261 HydrophobicContact CB-CG2 4.16Å; D255-V261 VanDerWaalsContact OD1-CG2 3.22Å; D255-V261 WeakPolarHBondContact OD1-CG2 3.14Å; D255-V261 WeakPolarHBondContact OD2-CG2 3.38Å; D255-H325 IonicContact OD2-CE1 3.47Å; D255-H325 PolarHBondContact OD2-CE1 3.22Å; D255-H325 VanDerWaalsContact OD2-CE1 3.22Å; D255-H325 IonicContact OD2-ND1 2.99Å; D255-N339 PolarHBondContact OD1-ND2 3.42Å
256F94.8Very high97.6Very high39 Ų3917.7 Ų17.717%0.1719%0.085CC..G310 helixtrans-55.6140-174.353-99.7000113.5V237 Y240 G258 T259 N339 F365 F367V237-F256 HydrophobicContact CB-CE2 3.99Å; V237-F256 HydrophobicContact CB-CZ 3.98Å; V237-F256 HydrophobicContact CG1-CE2 3.89Å; V237-F256 HydrophobicContact CG1-CZ 4.06Å; V237-F256 HydrophobicContact CG2-CE2 4.24Å; Y240-F256 HydrophobicContact CE2-CZ 4.22Å; F256-G258 PolarHBondContact O-N 3.05Å; F256-T259 WeakPolarHBondContact O-CB 3.38Å; F256-T259 WeakPolarHBondContact O-CG2 3.18Å; F256-T259 PolarHBondContact O-N 2.82Å; F256-T259 VanDerWaalsContact O-N 3.11Å; F256-T259 PolarHBondContact O-OG1 2.98Å; F256-N339 HydrophobicContact CE1-CB 4.47Å; F256-N339 HydrophobicContact CE2-CB 3.88Å; F256-N339 HydrophobicContact CZ-CB 3.62Å; F256-N339 VanDerWaalsContact CZ-CG 3.46Å; F256-F365 WeakPolarHBondContact CB-O 3.47Å; F256-F367 HydrophobicContact CD2-CB 3.89Å; F256-F367 AromaticContact CD2-CD2 3.81Å; F256-F367 HydrophobicContact CD2-CD2 3.81Å; F256-F367 HydrophobicContact CD2-CG 4.3Å; F256-F367 AromaticContact CE2-CD2 3.86Å; F256-F367 HydrophobicContact CE2-CD2 3.86Å
257G94.1Very high97.6Very high0 Ų015.7 Ų15.70%07%0.074CC..G310 helixtrans62.914-169.600000114.1T259 L341 E356 F370G257-T259 VanDerWaalsContact C-N 3.27Å; G257-T259 PolarHBondContact O-N 3.01Å; G257-L341 WeakPolarHBondContact O-CD2 3.46Å; G257-E356 WeakPolarHBondContact CA-OE1 3.08Å; G257-E356 VanDerWaalsContact N-CD 3.35Å; G257-E356 PolarHBondContact N-OE1 2.89Å; G257-E356 PolarHBondContact N-OE2 3.05Å; G257-E356 VanDerWaalsContact N-OE2 3.13Å; G257-F370 WeakPolarHBondContact O-CE2 3.46Å
258G96.8Very high97.6Very high0 Ų014.5 Ų14.50%07%0.072CC..G310 helixtrans60.731.5-166.900000113.9D255 F256 T321 E356D255-G258 WeakPolarHBondContact O-CA 3.37Å; D255-G258 PolarHBondContact O-N 3.03Å; F256-G258 PolarHBondContact O-N 3.05Å; G258-T321 WeakPolarHBondContact O-CA 3.4Å; G258-T321 VanDerWaalsContact O-CG2 3.25Å; G258-T321 WeakPolarHBondContact O-CG2 3.47Å; G258-E356 PolarHBondContact N-OE1 2.93Å
259T98.3Very high97.6Very high2 Ų216.6 Ų16.61%0.0128%0.082CC..  trans-56.8154.6-175.634.30000113.5D255 F256 G257 N339 L341 F367D255-T259 WeakPolarHBondContact CB-OG1 3.3Å; D255-T259 PolarHBondContact O-N 2.82Å; F256-T259 WeakPolarHBondContact O-CB 3.38Å; F256-T259 WeakPolarHBondContact O-CG2 3.18Å; F256-T259 PolarHBondContact O-N 2.82Å; F256-T259 VanDerWaalsContact O-N 3.11Å; F256-T259 PolarHBondContact O-OG1 2.98Å; G257-T259 VanDerWaalsContact C-N 3.27Å; G257-T259 PolarHBondContact O-N 3.01Å; T259-N339 HydrophobicContact CG2-CB 4.1Å; T259-N339 PolarHBondContact OG1-ND2 2.98Å; T259-L341 HydrophobicContact CG2-CD2 3.44Å; T259-L341 VanDerWaalsContact CG2-CD2 3.44Å; T259-L341 HydrophobicContact CG2-CG 3.69Å; T259-F367 HydrophobicContact CG2-CD2 3.55Å; T259-F367 HydrophobicContact CG2-CE2 3.71Å
260S98.6Very high97.6Very high0 Ų016.7 Ų16.70%08%0.083CC..EExtended strand (participates in β ladder)trans-86.2149.1161.4-64.60000108.7I319 T321 N339 F340 H342S260-I319 CarbonylContact C-O 3.54Å; S260-I319 WeakPolarHBondContact CA-O 3.44Å; S260-T321 PolarHBondContact OG-N 3.03Å; S260-T321 PolarHBondContact OG-OG1 2.85Å; S260-N339 CarbonylContact O-C 3.59Å; S260-N339 WeakPolarHBondContact O-CA 3.45Å; S260-F340 PolarHBondContact N-O 2.78Å; S260-F340 WeakPolarHBondContact O-CD1 3.32Å; S260-F340 WeakPolarHBondContact O-CE1 3.5Å; S260-F340 PolarHBondContact O-N 3.41Å; S260-H342 PolarHBondContact OG-CE1 3.31Å; S260-H342 PolarHBondContact OG-NE2 3.3Å
261V98.5Very high97.7Very high9 Ų916 Ų166%0.0558%0.078CC..EExtended strand (participates in β ladder)trans-121.6144.4-175.2175.80000111.3D255 F318 I319 G338 N339D255-V261 HydrophobicContact CB-CG2 4.16Å; D255-V261 VanDerWaalsContact OD1-CG2 3.22Å; D255-V261 WeakPolarHBondContact OD1-CG2 3.14Å; D255-V261 WeakPolarHBondContact OD2-CG2 3.38Å; V261-F318 CarbonylContact O-C 3.56Å; V261-F318 VanDerWaalsContact O-CA 3.24Å; V261-F318 WeakPolarHBondContact O-CA 3.37Å; V261-I319 HydrophobicContact CB-CB 4.29Å; V261-I319 PolarHBondContact N-O 2.82Å; V261-I319 PolarHBondContact O-N 2.78Å; V261-G338 WeakPolarHBondContact CA-O 3.18Å; V261-N339 WeakPolarHBondContact CG2-ND2 3.34Å
262W98.7Very high97.7Very high1 Ų115.3 Ų15.30%0.0047%0.074CC..EExtended strand (participates in β ladder)trans-110.2140.5159.372-82.4000109.7M141 V210 T212 P213 V216 Q238 H264 F318 F336 G337 G338M141-W262 HydrophobicContact CE-CE3 4.49Å; M141-W262 HydrophobicContact CE-CZ3 4.47Å; V210-W262 HydrophobicContact CG1-CH2 4.3Å; T212-W262 HydrophobicContact CG2-CZ2 3.72Å; P213-W262 VanDerWaalsContact CD-CD2 3.44Å; P213-W262 HydrophobicContact CG-CB 4.2Å; P213-W262 HydrophobicContact CG-CD2 3.82Å; P213-W262 HydrophobicContact CG-CE3 3.77Å; P213-W262 HydrophobicContact CG-CG 4.01Å; P213-W262 HydrophobicContact CG-CZ3 4.49Å; V216-W262 HydrophobicContact CG2-CB 3.87Å; V216-W262 HydrophobicContact CG2-CG 3.87Å; Q238-W262 PolarHBondContact O-NE1 3.31Å; W262-H264 HydrophobicContact CZ3-CB 4.21Å; W262-F318 HydrophobicContact CB-CD1 3.63Å; W262-F318 HydrophobicContact CB-CE1 3.55Å; W262-F318 HydrophobicContact CB-CZ 4.5Å; W262-F336 HydrophobicContact CH2-CB 4.09Å; W262-F336 HydrophobicContact CZ3-CB 4.34Å; W262-G337 VanDerWaalsContact CE2-C 3.49Å; W262-G337 VanDerWaalsContact CZ2-C 3.5Å; W262-G337 WeakPolarHBondContact CZ2-O 3.48Å; W262-G337 CarbonylContact O-C 3.51Å; W262-G337 WeakPolarHBondContact O-CA 3.4Å; W262-G338 PolarHBondContact N-O 2.87Å; W262-G338 VanDerWaalsContact NE1-CA 3.35Å; W262-G338 PolarHBondContact O-N 2.88Å
263Y98.8Very high97.8Very high15 Ų1515.1 Ų15.16%0.0597%0.073CC..EExtended strand (participates in β ladder)trans-144.8115.7-173.4-158.9-74.5000111L242 V265 K270 F272 T316 L317 A335L242-Y263 HydrophobicContact CD1-CE2 4.14Å; L242-Y263 HydrophobicContact CD2-CE2 3.74Å; Y263-V265 HydrophobicContact CD1-CG2 4.21Å; Y263-V265 HydrophobicContact CE1-CG2 3.93Å; Y263-K270 HydrophobicContact CE1-CG 3.99Å; Y263-K270 WeakPolarHBondContact OH-CE 3.4Å; Y263-F272 HydrophobicContact CD1-CE2 4.25Å; Y263-F272 AromaticContact CD1-CZ 3.99Å; Y263-F272 HydrophobicContact CD1-CZ 3.99Å; Y263-F272 AromaticContact CD2-CZ 3.81Å; Y263-F272 HydrophobicContact CD2-CZ 3.81Å; Y263-F272 HydrophobicContact CE1-CE2 4.29Å; Y263-F272 HydrophobicContact CE1-CZ 4.08Å; Y263-F272 AromaticContact CE2-CZ 3.89Å; Y263-F272 HydrophobicContact CE2-CZ 3.89Å; Y263-F272 AromaticContact CG-CZ 3.86Å; Y263-F272 HydrophobicContact CG-CZ 3.86Å; Y263-T316 CarbonylContact O-C 3.6Å; Y263-T316 VanDerWaalsContact O-CA 3.3Å; Y263-T316 WeakPolarHBondContact O-CA 3.43Å; Y263-L317 PolarHBondContact N-O 2.86Å; Y263-L317 PolarHBondContact O-N 2.82Å; Y263-A335 HydrophobicContact CD1-CB 4.35Å; Y263-A335 HydrophobicContact CE1-CB 3.51Å
264H98.7Very high97.9Very high4 Ų412.4 Ų12.42%0.0196%0.061CC..EExtended strand (participates in β ladder)trans-117.5122.3179.6-173.789.9000111.2M141 L143 W262 L266 G314 N315 T316 A335 F336M141-H264 HydrophobicContact CE-CB 4.32Å; L143-H264 HydrophobicContact CD1-CB 4.09Å; L143-H264 WeakPolarHBondContact CD1-CD2 3.38Å; W262-H264 HydrophobicContact CZ3-CB 4.21Å; H264-L266 PolarHBondContact O-N 3.27Å; H264-G314 PolarHBondContact CE1-O 3.1Å; H264-G314 VanDerWaalsContact CE1-O 3.28Å; H264-N315 PolarHBondContact ND1-O 2.97Å; H264-T316 HydrophobicContact CB-CG2 4.31Å; H264-T316 PolarHBondContact ND1-OG1 3.22Å; H264-A335 CarbonylContact O-C 3.6Å; H264-A335 VanDerWaalsContact O-CA 3.26Å; H264-A335 WeakPolarHBondContact O-CA 3.24Å; H264-A335 WeakPolarHBondContact O-CB 3.39Å; H264-F336 PolarHBondContact N-O 3.33Å; H264-F336 PolarHBondContact O-N 2.8Å
265V98.6Very high97.9Very high0 Ų011.4 Ų11.40%06%0.055CC..EExtended strand (participates in β ladder)trans-86.8106.7176177.40000109.1Y263 R267 G268 K270 V311 Q313 G314 N315 A335Y263-V265 HydrophobicContact CD1-CG2 4.21Å; Y263-V265 HydrophobicContact CE1-CG2 3.93Å; V265-R267 WeakPolarHBondContact CG1-O 3.25Å; V265-G268 WeakPolarHBondContact CG1-O 3.45Å; V265-K270 HydrophobicContact CG2-CB 4.37Å; V265-K270 HydrophobicContact CG2-CG 4.18Å; V265-V311 HydrophobicContact CB-CG1 4.45Å; V265-V311 HydrophobicContact CG2-CB 4.18Å; V265-V311 HydrophobicContact CG2-CG1 3.69Å; V265-Q313 CarbonylContact O-C 3.54Å; V265-Q313 WeakPolarHBondContact O-CA 3.47Å; V265-G314 PolarHBondContact O-N 3.43Å; V265-N315 PolarHBondContact N-O 2.6Å; V265-A335 HydrophobicContact CG2-CB 4.33Å
266L98Very high98Very high7 Ų712.1 Ų12.14%0.0376%0.062CC..EExtended strand (participates in β ladder)trans-76.4-33.2178.7-176.462.7000111.8P144 F148 H264 Q313 L334 F336P144-L266 HydrophobicContact CG-CD2 4Å; F148-L266 HydrophobicContact CB-CD2 4.18Å; F148-L266 HydrophobicContact CD1-CD2 4.32Å; H264-L266 PolarHBondContact O-N 3.27Å; L266-Q313 WeakPolarHBondContact O-CG 3.49Å; L266-Q313 PolarHBondContact O-NE2 3.26Å; L266-L334 HydrophobicContact CD2-CD2 4.39Å; L266-L334 PolarHBondContact N-O 2.7Å; L266-F336 HydrophobicContact CB-CD2 4.32Å; L266-F336 HydrophobicContact CD2-CD2 4.23Å; L266-F336 HydrophobicContact CD2-CE2 3.73Å
267R97.6Very high98.1Very high70 Ų7011.1 Ų11.126%0.2646%0.06SC..EExtended strand (participates in β ladder)trans-151.2139.8176.3-174.2171.467.3-153.86.9110.7F148 V265 C333 L334F148-R267 PolarHBondContact O-NH1 3.14Å; F148-R267 VanDerWaalsContact O-NH1 3.07Å; V265-R267 WeakPolarHBondContact CG1-O 3.25Å; R267-C333 VanDerWaalsContact O-CA 3.31Å; R267-C333 WeakPolarHBondContact O-CA 3.25Å; R267-C333 PolarHBondContact O-SG 3.07Å; R267-C333 VanDerWaalsContact O-SG 3.39Å; R267-L334 HydrophobicContact CB-CB 4.4Å; R267-L334 PolarHBondContact N-O 2.8Å; R267-L334 PolarHBondContact O-N 2.88Å
268G97.6Very high98.2Very high18 Ų1813.7 Ų13.719%0.1868%0.075CC..EExtended strand (participates in β ladder)trans93-151.5-18000000113.8V265 Q313 D332V265-G268 WeakPolarHBondContact CG1-O 3.45Å; G268-Q313 PolarHBondContact O-N 2.8Å; G268-D332 WeakPolarHBondContact CA-O 3.35Å
269E98.3Very high98.2Very high44 Ų4418.7 Ų18.721%0.20611%0.108CC..EExtended strand (participates in β ladder)trans-146.7147.5176.2179176.5156.500109.6S310 V311 K312 P330 V331E269-S310 VanDerWaalsContact CD-OG 3.23Å; E269-S310 WeakPolarHBondContact OE1-CB 3.45Å; E269-S310 PolarHBondContact OE1-OG 2.82Å; E269-V311 WeakPolarHBondContact CA-O 3.48Å; E269-K312 HydrophobicContact CG-CG 4.12Å; E269-K312 WeakPolarHBondContact OE2-CE 3.46Å; E269-P330 HydrophobicContact CB-CG 3.86Å; E269-P330 HydrophobicContact CG-CG 3.79Å; E269-P330 VanDerWaalsContact O-CD 3.26Å; E269-P330 WeakPolarHBondContact O-CD 3.41Å; E269-V331 HydrophobicContact CB-CG2 4.2Å
270K98.6Very high98.2Very high3 Ų321.5 Ų21.51%0.01313%0.131CC..EExtended strand (participates in β ladder)trans-122.5144.2167.4-69.1-79.2-176.8170.90109.4Y263 V265 F272 V311 V327 T329 C333Y263-K270 HydrophobicContact CE1-CG 3.99Å; Y263-K270 WeakPolarHBondContact OH-CE 3.4Å; V265-K270 HydrophobicContact CG2-CB 4.37Å; V265-K270 HydrophobicContact CG2-CG 4.18Å; K270-F272 HydrophobicContact CB-CD2 4.28Å; K270-F272 HydrophobicContact CB-CE2 3.76Å; K270-V311 PolarHBondContact N-O 2.95Å; K270-V311 PolarHBondContact O-N 2.84Å; K270-V327 HydrophobicContact CB-CG1 4.32Å; K270-V327 HydrophobicContact CD-CG1 3.88Å; K270-T329 HydrophobicContact CD-CG2 4.1Å; K270-T329 PolarHBondContact NZ-OG1 2.89Å; K270-C333 VanDerWaalsContact CE-SG 3.51Å
271I98.7Very high98.1Very high5 Ų521.8 Ų21.83%0.02613%0.133CC..EExtended strand (participates in β ladder)trans-115.2118.1174.3-64.8167.3000108.2Y273 R308 C309 V327 L328 P330I271-Y273 HydrophobicContact CG2-CE1 4.33Å; I271-Y273 HydrophobicContact CG2-CE2 3.87Å; I271-R308 HydrophobicContact CG2-CG 3.75Å; I271-C309 CarbonylContact C-O 3.46Å; I271-C309 VanDerWaalsContact CA-O 3.31Å; I271-C309 WeakPolarHBondContact CA-O 3.29Å; I271-V327 WeakPolarHBondContact O-CA 3.32Å; I271-L328 HydrophobicContact CB-CB 4.37Å; I271-L328 PolarHBondContact N-O 3.02Å; I271-L328 PolarHBondContact O-N 3.06Å; I271-P330 HydrophobicContact CD1-CB 3.91Å; I271-P330 HydrophobicContact CD1-CG 3.82Å; I271-P330 HydrophobicContact CG1-CG 3.95Å
272F98.8Very high98.1Very high2 Ų222 Ų221%0.00913%0.133CC..EExtended strand (participates in β ladder)trans-97.7139176.3-71-108.1000109.9Y263 K270 L274 C309 V311 L317 I319 H325 A326 V327Y263-F272 HydrophobicContact CD1-CE2 4.25Å; Y263-F272 AromaticContact CD1-CZ 3.99Å; Y263-F272 HydrophobicContact CD1-CZ 3.99Å; Y263-F272 AromaticContact CD2-CZ 3.81Å; Y263-F272 HydrophobicContact CD2-CZ 3.81Å; Y263-F272 HydrophobicContact CE1-CE2 4.29Å; Y263-F272 HydrophobicContact CE1-CZ 4.08Å; Y263-F272 AromaticContact CE2-CZ 3.89Å; Y263-F272 HydrophobicContact CE2-CZ 3.89Å; Y263-F272 AromaticContact CG-CZ 3.86Å; Y263-F272 HydrophobicContact CG-CZ 3.86Å; K270-F272 HydrophobicContact CB-CD2 4.28Å; K270-F272 HydrophobicContact CB-CE2 3.76Å; F272-L274 HydrophobicContact CB-CD2 3.99Å; F272-L274 HydrophobicContact CB-CG 4.07Å; F272-C309 HydrophobicContact CB-CB 4.19Å; F272-C309 PolarHBondContact N-O 2.92Å; F272-C309 PolarHBondContact O-N 3.12Å; F272-V311 HydrophobicContact CD2-CB 4.46Å; F272-V311 HydrophobicContact CD2-CG2 3.54Å; F272-V311 HydrophobicContact CE2-CB 4.31Å; F272-V311 HydrophobicContact CE2-CG2 3.66Å; F272-L317 HydrophobicContact CB-CD2 4.46Å; F272-L317 HydrophobicContact CD1-CD2 4.1Å; F272-L317 HydrophobicContact CD2-CD2 3.93Å; F272-L317 HydrophobicContact CE1-CD2 4.33Å; F272-L317 HydrophobicContact CE2-CD2 4.15Å; F272-L317 HydrophobicContact CG-CD2 3.91Å; F272-L317 HydrophobicContact CZ-CD2 4.36Å; F272-I319 HydrophobicContact CD1-CD1 3.66Å; F272-I319 HydrophobicContact CE1-CD1 3.62Å; F272-H325 AromaticContact CD1-CD2 3.62Å; F272-H325 AromaticContact CE1-CD2 3.88Å; F272-A326 CarbonylContact C-O 3.44Å; F272-A326 WeakPolarHBondContact CA-O 3.4Å; F272-V327 HydrophobicContact CD1-CG2 3.68Å; F272-V327 HydrophobicContact CD2-CG1 4.5Å; F272-V327 HydrophobicContact CE1-CG1 4.41Å; F272-V327 HydrophobicContact CE1-CG2 3.57Å; F272-V327 HydrophobicContact CE2-CG1 4.29Å; F272-V327 HydrophobicContact CG-CG2 4.34Å; F272-V327 HydrophobicContact CZ-CG1 4.23Å; F272-V327 HydrophobicContact CZ-CG2 4.17Å
273Y98.7Very high97.9Very high1 Ų124.8 Ų24.80%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-109.6102.9172.6-61.7-85.5000107.6L97 F102 I271 Y307 R308 H325 A326 L328L97-Y273 HydrophobicContact CD1-CE1 3.91Å; L97-Y273 HydrophobicContact CD1-CE2 4.04Å; L97-Y273 HydrophobicContact CD2-CE2 3.99Å; L97-Y273 HydrophobicContact CG-CE2 4.18Å; F102-Y273 HydrophobicContact CD1-CD1 4.08Å; F102-Y273 HydrophobicContact CD1-CE1 4.39Å; F102-Y273 HydrophobicContact CD2-CD1 4.28Å; F102-Y273 AromaticContact CD2-CE1 3.79Å; F102-Y273 HydrophobicContact CD2-CE1 3.79Å; F102-Y273 AromaticContact CE1-CD1 3.8Å; F102-Y273 HydrophobicContact CE1-CD1 3.8Å; F102-Y273 HydrophobicContact CE1-CE1 4.08Å; F102-Y273 HydrophobicContact CE2-CD1 4.02Å; F102-Y273 AromaticContact CE2-CE1 3.42Å; F102-Y273 HydrophobicContact CE2-CE1 3.42Å; F102-Y273 VanDerWaalsContact CE2-CE1 3.42Å; F102-Y273 HydrophobicContact CG-CD1 4.31Å; F102-Y273 HydrophobicContact CG-CE1 4.26Å; F102-Y273 AromaticContact CZ-CD1 3.77Å; F102-Y273 HydrophobicContact CZ-CD1 3.77Å; F102-Y273 AromaticContact CZ-CE1 3.59Å; F102-Y273 HydrophobicContact CZ-CE1 3.59Å; I271-Y273 HydrophobicContact CG2-CE1 4.33Å; I271-Y273 HydrophobicContact CG2-CE2 3.87Å; Y273-Y307 CarbonylContact C-O 3.31Å; Y273-Y307 WeakPolarHBondContact CA-O 3.4Å; Y273-R308 HydrophobicContact CE1-CB 4.47Å; Y273-R308 HydrophobicContact CE1-CG 4.26Å; Y273-H325 WeakPolarHBondContact O-CA 3.27Å; Y273-A326 HydrophobicContact CD2-CB 4.47Å; Y273-A326 PolarHBondContact N-O 3.49Å; Y273-A326 PolarHBondContact O-N 3.23Å; Y273-A326 VanDerWaalsContact O-N 3.13Å; Y273-L328 HydrophobicContact CE2-CB 3.84Å
274L98.7Very high97.7Very high0 Ų026.6 Ų26.60%017%0.167CC..EExtended strand (participates in β ladder)trans-104127.2-164.1-60.7168.6000111A105 P130 F272 Y307 C309 I319 W323 H325A105-L274 HydrophobicContact CB-CD1 4.34Å; P130-L274 HydrophobicContact CG-CD1 4.23Å; F272-L274 HydrophobicContact CB-CD2 3.99Å; F272-L274 HydrophobicContact CB-CG 4.07Å; L274-Y307 PolarHBondContact N-O 2.96Å; L274-Y307 PolarHBondContact O-N 2.71Å; L274-C309 HydrophobicContact CD1-CB 3.59Å; L274-C309 HydrophobicContact CG-CB 4.36Å; L274-I319 HydrophobicContact CD2-CD1 4.29Å; L274-W323 HydrophobicContact CB-CE3 4.22Å; L274-W323 HydrophobicContact CB-CZ3 4.23Å; L274-H325 HydrophobicContact CD2-CB 3.87Å
275I98.7Very high97.6Very high0 Ų027.1 Ų27.10%017%0.169CC..EExtended strand (participates in β ladder)trans-123.5127.6179.5-63.6167.5000108.6F252 N281 F299 V303 C306 I324F252-I275 HydrophobicContact CD1-CD1 3.73Å; F252-I275 HydrophobicContact CE1-CD1 3.45Å; F252-I275 VanDerWaalsContact CE1-CD1 3.45Å; F252-I275 HydrophobicContact CE1-CG1 4.2Å; F252-I275 HydrophobicContact CZ-CD1 4.18Å; I275-N281 HydrophobicContact CG2-CB 4.1Å; I275-F299 HydrophobicContact CD1-CD1 3.62Å; I275-F299 HydrophobicContact CD1-CE1 3.7Å; I275-V303 HydrophobicContact CD1-CG2 3.76Å; I275-V303 HydrophobicContact CG1-CG2 3.98Å; I275-V303 HydrophobicContact CG2-CB 4.34Å; I275-V303 HydrophobicContact CG2-CG1 4.14Å; I275-V303 HydrophobicContact CG2-CG2 4.08Å; I275-C306 HydrophobicContact CD1-CB 4.28Å; I275-C306 HydrophobicContact CG1-CB 3.88Å; I275-I324 HydrophobicContact CB-CB 4.12Å; I275-I324 HydrophobicContact CG2-CB 4.43Å; I275-I324 HydrophobicContact CG2-CD1 4.29Å; I275-I324 PolarHBondContact N-O 3.12Å; I275-I324 PolarHBondContact O-N 3.05Å; I275-I324 VanDerWaalsContact O-N 3.16Å
276S97.7Very high97.3Very high34 Ų3429.4 Ų29.424%0.23818%0.18CC..  trans-70.1141.5-176.457.70000111.9T278 N281S276-T278 PolarHBondContact O-N 2.94Å; S276-N281 WeakPolarHBondContact O-CB 3.28Å; S276-N281 PolarHBondContact O-ND2 3.34Å
277P97.6Very high96.8Very high19 Ų1938 Ų3812%0.12321%0.212CC..  trans-80.257.9-174.932.9-36.6000112.7L282 G322 W323 M348P277-L282 HydrophobicContact CB-CD1 4.45Å; P277-L282 HydrophobicContact CB-CD2 4.22Å; P277-L282 HydrophobicContact CB-CG 4.42Å; P277-G322 WeakPolarHBondContact CB-O 3.41Å; P277-W323 HydrophobicContact CG-CG 4.25Å; P277-M348 HydrophobicContact CB-CE 3.73Å; P277-M348 HydrophobicContact CB-SD 4.14Å; P277-M348 HydrophobicContact CG-CE 3.86Å; P277-M348 WeakPolarHBondContact O-CE 3.21Å
278T97.4Very high96.5Very high53 Ų5334.9 Ų34.933%0.32520%0.2SC..  trans-69.7152.5171.176.20000110S276 A280 N281 L282S276-T278 PolarHBondContact O-N 2.94Å; T278-A280 PolarHBondContact O-N 2.97Å; T278-A280 VanDerWaalsContact O-N 3.12Å; T278-N281 PolarHBondContact O-N 2.83Å; T278-N281 VanDerWaalsContact O-N 3.09Å; T278-N281 WeakPolarHBondContact OG1-CB 3.39Å; T278-N281 PolarHBondContact OG1-N 3.11Å; T278-N281 PolarHBondContact OG1-ND2 2.93Å; T278-N281 PolarHBondContact OG1-OD1 3.45Å; T278-L282 WeakPolarHBondContact O-CG 3.19Å; T278-L282 PolarHBondContact O-N 3.38Å
279P96.8Very high96Very high106 Ų10635.3 Ų35.369%0.68820%0.2SC*.Hα-helixtrans-56.7-27.7175-27.136000114A283P279-A283 WeakPolarHBondContact O-CB 3.45Å; P279-A283 PolarHBondContact O-N 3.04Å
280A96.9Very high95.2Very high60 Ų6037.1 Ų37.150%0.49622%0.218SC..Hα-helixtrans-71.9-49173.400000111.7T278 L282 A283 L284T278-A280 PolarHBondContact O-N 2.97Å; T278-A280 VanDerWaalsContact O-N 3.12Å; A280-L282 VanDerWaalsContact C-N 3.33Å; A280-L282 PolarHBondContact O-N 3.2Å; A280-A283 PolarHBondContact O-N 3.05Å; A280-L284 WeakPolarHBondContact O-CG 3.41Å; A280-L284 PolarHBondContact O-N 3.29Å
281N97.9Very high94.3Very high7 Ų738.6 Ų38.64%0.03723%0.228CC..Hα-helixtrans-64.3-37.6-179.9-66.2-8.3000111.8I275 S276 T278 L284 F285 V303 I324I275-N281 HydrophobicContact CG2-CB 4.1Å; S276-N281 WeakPolarHBondContact O-CB 3.28Å; S276-N281 PolarHBondContact O-ND2 3.34Å; T278-N281 PolarHBondContact O-N 2.83Å; T278-N281 VanDerWaalsContact O-N 3.09Å; T278-N281 WeakPolarHBondContact OG1-CB 3.39Å; T278-N281 PolarHBondContact OG1-N 3.11Å; T278-N281 PolarHBondContact OG1-ND2 2.93Å; T278-N281 PolarHBondContact OG1-OD1 3.45Å; N281-L284 PolarHBondContact O-N 3.03Å; N281-F285 VanDerWaalsContact O-CB 3.29Å; N281-F285 WeakPolarHBondContact O-CB 3.49Å; N281-F285 PolarHBondContact O-N 3.44Å; N281-V303 HydrophobicContact CB-CG1 4.43Å; N281-I324 HydrophobicContact CB-CD1 4.12Å
282L97.3Very high93.3Very high12 Ų1244 Ų446%0.06327%0.267CS..Hα-helixtrans-64.7-41.6175-67170.1000112.1I254 P277 T278 A280 F285 E286 I324 M348 I355I254-L282 HydrophobicContact CD1-CD2 3.62Å; P277-L282 HydrophobicContact CB-CD1 4.45Å; P277-L282 HydrophobicContact CB-CD2 4.22Å; P277-L282 HydrophobicContact CB-CG 4.42Å; T278-L282 WeakPolarHBondContact O-CG 3.19Å; T278-L282 PolarHBondContact O-N 3.38Å; A280-L282 VanDerWaalsContact C-N 3.33Å; A280-L282 PolarHBondContact O-N 3.2Å; L282-F285 PolarHBondContact O-N 2.82Å; L282-E286 WeakPolarHBondContact O-CB 3.31Å; L282-E286 PolarHBondContact O-N 3.49Å; L282-I324 HydrophobicContact CD2-CD1 4.26Å; L282-M348 HydrophobicContact CD1-CE 4.37Å; L282-M348 HydrophobicContact CD1-SD 3.81Å; L282-I355 HydrophobicContact CB-CD1 4.35Å; L282-I355 HydrophobicContact CD2-CD1 4.22Å
283A95Very high92.3Very high60 Ų6047.2 Ų47.250%0.49628%0.284SS..Hα-helixtrans-70.2-32.9176.300000113P279 A280 R287P279-A283 WeakPolarHBondContact O-CB 3.45Å; P279-A283 PolarHBondContact O-N 3.04Å; A280-A283 PolarHBondContact O-N 3.05Å; A283-R287 WeakPolarHBondContact O-CB 3.42Å; A283-R287 PolarHBondContact O-N 3.43Å
284L95.4Very high91.4Very high54 Ų5449.8 Ų49.828%0.28330%0.296SS..Hα-helixtrans-67.5-43.4170.9-71.9167.4000111.2A280 N281 R287 W288 F299 Q302 V303A280-L284 WeakPolarHBondContact O-CG 3.41Å; A280-L284 PolarHBondContact O-N 3.29Å; N281-L284 PolarHBondContact O-N 3.03Å; L284-R287 PolarHBondContact O-N 2.74Å; L284-W288 WeakPolarHBondContact O-CB 3.32Å; L284-W288 PolarHBondContact O-N 2.57Å; L284-F299 HydrophobicContact CB-CE2 3.91Å; L284-F299 HydrophobicContact CB-CZ 4.09Å; L284-Q302 WeakPolarHBondContact CD1-O 3.35Å; L284-V303 HydrophobicContact CD1-CG1 4.21Å
285F96.3Very high90.8Very high14 Ų1453.5 Ų53.56%0.06132%0.316CS..Hα-helixtrans-60.9-52.2177.3173.7-101.7000111.5I254 N281 L282 R287 W288 S289 F299 I324 L359I254-F285 HydrophobicContact CB-CE1 4.49Å; I254-F285 HydrophobicContact CD1-CD1 3.72Å; I254-F285 HydrophobicContact CD1-CE1 3.69Å; I254-F285 HydrophobicContact CD1-CG 4.45Å; I254-F285 HydrophobicContact CD1-CZ 4.4Å; I254-F285 HydrophobicContact CG1-CD1 4.23Å; I254-F285 HydrophobicContact CG1-CE1 3.86Å; I254-F285 HydrophobicContact CG1-CZ 4.06Å; N281-F285 VanDerWaalsContact O-CB 3.29Å; N281-F285 WeakPolarHBondContact O-CB 3.49Å; N281-F285 PolarHBondContact O-N 3.44Å; L282-F285 PolarHBondContact O-N 2.82Å; F285-R287 PolarHBondContact O-N 3.15Å; F285-W288 HydrophobicContact CD2-CE3 4.03Å; F285-W288 HydrophobicContact CD2-CZ3 4.18Å; F285-W288 HydrophobicContact CE2-CE3 4.15Å; F285-W288 AromaticContact CE2-CZ3 3.88Å; F285-W288 HydrophobicContact CE2-CZ3 3.88Å; F285-W288 PolarHBondContact O-N 3.26Å; F285-S289 WeakPolarHBondContact CE2-OG 3.43Å; F285-S289 WeakPolarHBondContact CZ-OG 3.26Å; F285-S289 WeakPolarHBondContact O-CB 3.49Å; F285-S289 PolarHBondContact O-N 3.46Å; F285-S289 PolarHBondContact O-OG 2.97Å; F285-S289 VanDerWaalsContact O-OG 3.09Å; F285-F299 HydrophobicContact CB-CE1 4.26Å; F285-F299 HydrophobicContact CB-CE2 4.26Å; F285-F299 HydrophobicContact CB-CZ 3.75Å; F285-F299 HydrophobicContact CD2-CE1 4.41Å; F285-I324 HydrophobicContact CB-CD1 3.78Å; F285-I324 HydrophobicContact CB-CG1 4.34Å; F285-I324 HydrophobicContact CD2-CG1 4.28Å; F285-I324 HydrophobicContact CD2-CG2 3.76Å; F285-I324 HydrophobicContact CE2-CG2 4.12Å; F285-I324 HydrophobicContact CG-CD1 4.18Å; F285-I324 HydrophobicContact CG-CG1 4.18Å; F285-I324 HydrophobicContact CG-CG2 4.46Å; F285-L359 HydrophobicContact CE1-CD1 4.45Å
286E91.8Very high90.3Very high48 Ų4856.6 Ų56.622%0.22433%0.331CS..Hα-helixtrans-56.7-37177.2-174177.616500112L282 S290 I355 R358 L359L282-E286 WeakPolarHBondContact O-CB 3.31Å; L282-E286 PolarHBondContact O-N 3.49Å; E286-S290 WeakPolarHBondContact O-CB 3.42Å; E286-S290 PolarHBondContact O-N 2.89Å; E286-S290 PolarHBondContact O-OG 2.76Å; E286-I355 HydrophobicContact CB-CG2 4.39Å; E286-I355 HydrophobicContact CG-CG2 4.34Å; E286-R358 IonicContact OE1-CZ 2.71Å; E286-R358 IonicContact OE1-NE 2.66Å; E286-R358 PolarHBondContact OE1-NE 2.88Å; E286-R358 IonicContact OE1-NH2 3.84Å; E286-R358 PolarHBondContact OE1-NH2 2.82Å; E286-R358 IonicContact OE2-CZ 2.86Å; E286-R358 IonicContact OE2-NE 2.59Å; E286-R358 IonicContact OE2-NH2 2.69Å; E286-R358 PolarHBondContact OE2-NH2 2.87Å; E286-L359 HydrophobicContact CG-CD2 4.11Å; E286-L359 HydrophobicContact CG-CG 4.47Å
287R88.3Confident89.8Confident189 Ų18958.3 Ų58.371%0.71334%0.336SS*.Hα-helixtrans-72.7-33.9175.4-175.8177.8178.8-169.7-1.6113.7A283 L284 F285 S290 S291A283-R287 WeakPolarHBondContact O-CB 3.42Å; A283-R287 PolarHBondContact O-N 3.43Å; L284-R287 PolarHBondContact O-N 2.74Å; F285-R287 PolarHBondContact O-N 3.15Å; R287-S290 PolarHBondContact O-OG 2.96Å; R287-S291 PolarHBondContact O-N 3.43Å
288W91.2Very high89.7Confident3 Ų358 Ų581%0.01133%0.332CS..Hα-helixtrans-74.8-45.5177.5166.484.2000111.2D251 F252 L284 F285 S290 S291 Q294 M297 F299D251-W288 WeakPolarHBondContact OD2-CZ2 3.42Å; F252-W288 HydrophobicContact CB-CH2 3.91Å; F252-W288 HydrophobicContact CB-CZ3 4.07Å; F252-W288 WeakPolarHBondContact O-CH2 3.4Å; F252-W288 WeakPolarHBondContact O-CZ3 3.36Å; L284-W288 WeakPolarHBondContact O-CB 3.32Å; L284-W288 PolarHBondContact O-N 2.57Å; F285-W288 HydrophobicContact CD2-CE3 4.03Å; F285-W288 HydrophobicContact CD2-CZ3 4.18Å; F285-W288 HydrophobicContact CE2-CE3 4.15Å; F285-W288 AromaticContact CE2-CZ3 3.88Å; F285-W288 HydrophobicContact CE2-CZ3 3.88Å; F285-W288 PolarHBondContact O-N 3.26Å; W288-S290 PolarHBondContact O-N 3.4Å; W288-S291 WeakPolarHBondContact O-CB 3.31Å; W288-S291 PolarHBondContact O-N 3.45Å; W288-S291 PolarHBondContact O-OG 3.22Å; W288-Q294 HydrophobicContact CD2-CG 3.9Å; W288-Q294 VanDerWaalsContact CE2-CG 3.45Å; W288-Q294 HydrophobicContact CE3-CG 4.26Å; W288-Q294 HydrophobicContact CH2-CG 3.86Å; W288-Q294 VanDerWaalsContact CH2-NE2 3.32Å; W288-Q294 HydrophobicContact CZ2-CG 3.46Å; W288-Q294 VanDerWaalsContact CZ2-CG 3.46Å; W288-Q294 HydrophobicContact CZ3-CG 4.23Å; W288-Q294 VanDerWaalsContact CZ3-NE2 3.33Å; W288-M297 PolarHBondContact NE1-O 3.27Å; W288-F299 HydrophobicContact CB-CD2 3.67Å; W288-F299 HydrophobicContact CB-CE2 4.06Å; W288-F299 HydrophobicContact CD2-CB 3.84Å; W288-F299 AromaticContact CD2-CD2 3.89Å; W288-F299 HydrophobicContact CD2-CD2 3.89Å; W288-F299 HydrophobicContact CD2-CG 4.06Å; W288-F299 HydrophobicContact CE3-CB 4.3Å; W288-F299 HydrophobicContact CE3-CD2 4.28Å; W288-F299 HydrophobicContact CE3-CG 4.29Å; W288-F299 HydrophobicContact CG-CB 4.18Å; W288-F299 AromaticContact CG-CD2 3.62Å; W288-F299 HydrophobicContact CG-CD2 3.62Å; W288-F299 HydrophobicContact CG-CE2 4.47Å; W288-F299 HydrophobicContact CG-CG 4.24Å; W288-F299 HydrophobicContact CZ2-CB 4.07Å
289S86.7Confident89.6Confident27 Ų2755.5 Ų55.519%0.18932%0.317CS..Hα-helixtrans-65-21.2177.6-550000113.7F285F285-S289 WeakPolarHBondContact CE2-OG 3.43Å; F285-S289 WeakPolarHBondContact CZ-OG 3.26Å; F285-S289 WeakPolarHBondContact O-CB 3.49Å; F285-S289 PolarHBondContact O-N 3.46Å; F285-S289 PolarHBondContact O-OG 2.97Å; F285-S289 VanDerWaalsContact O-OG 3.09Å
290S81.6Confident89.6Confident83 Ų8350.9 Ų50.958%0.5829%0.289SS*.THydrogen-bonded Turntrans-97.66.8172.8560000113.9E286 R287 W288E286-S290 WeakPolarHBondContact O-CB 3.42Å; E286-S290 PolarHBondContact O-N 2.89Å; E286-S290 PolarHBondContact O-OG 2.76Å; R287-S290 PolarHBondContact O-OG 2.96Å; W288-S290 PolarHBondContact O-N 3.4Å
291S79.5Confident89.5Confident33 Ų3352.9 Ų52.923%0.23129%0.291CS..SBendtrans-92.1140-177.176.60000113.2R287 W288 N293 Q294 M297R287-S291 PolarHBondContact O-N 3.43Å; W288-S291 WeakPolarHBondContact O-CB 3.31Å; W288-S291 PolarHBondContact O-N 3.45Å; W288-S291 PolarHBondContact O-OG 3.22Å; S291-N293 PolarHBondContact O-N 2.76Å; S291-Q294 PolarHBondContact O-N 3.26Å; S291-Q294 PolarHBondContact OG-N 3.03Å; S291-M297 WeakPolarHBondContact OG-CE 3.37Å
292S76.6Confident89.3Confident119 Ų11955.9 Ų55.983%0.83231%0.305SS*.THydrogen-bonded Turntrans-59.4-15.8174.750.40000114.7
293N78.8Confident89.3Confident69 Ų6956.2 Ų56.237%0.36931%0.307SS..THydrogen-bonded Turntrans-113.614.9-173.9-64.567000112S291 N295 E296 M297S291-N293 PolarHBondContact O-N 2.76Å; N293-N295 VanDerWaalsContact C-N 3.3Å; N293-N295 PolarHBondContact O-N 3.49Å; N293-E296 PolarHBondContact ND2-OE2 3.3Å; N293-E296 CarbonylContact O-C 3.59Å; N293-E296 WeakPolarHBondContact O-CA 3.38Å; N293-E296 PolarHBondContact O-N 2.63Å; N293-M297 HydrophobicContact CB-CE 3.86Å; N293-M297 HydrophobicContact CB-CG 4.42Å; N293-M297 HydrophobicContact CB-SD 4.31Å; N293-M297 WeakPolarHBondContact O-CG 3.33Å; N293-M297 PolarHBondContact O-N 3.19Å
294Q80.3Confident89.2Confident56 Ų5660.8 Ų60.826%0.26232%0.324SS..G310 helixtrans-47.4-52.8179.1-171.9-171.98.400111.6W288 S291 E296 M297W288-Q294 HydrophobicContact CD2-CG 3.9Å; W288-Q294 VanDerWaalsContact CE2-CG 3.45Å; W288-Q294 HydrophobicContact CE3-CG 4.26Å; W288-Q294 HydrophobicContact CH2-CG 3.86Å; W288-Q294 VanDerWaalsContact CH2-NE2 3.32Å; W288-Q294 HydrophobicContact CZ2-CG 3.46Å; W288-Q294 VanDerWaalsContact CZ2-CG 3.46Å; W288-Q294 HydrophobicContact CZ3-CG 4.23Å; W288-Q294 VanDerWaalsContact CZ3-NE2 3.33Å; S291-Q294 PolarHBondContact O-N 3.26Å; S291-Q294 PolarHBondContact OG-N 3.03Å; Q294-E296 PolarHBondContact O-N 3.15Å; Q294-M297 PolarHBondContact O-N 2.82Å; Q294-M297 VanDerWaalsContact O-N 3.15Å
295N85.2Confident89.2Confident77 Ų7761.7 Ų61.741%0.41233%0.327SS..G310 helixtrans-69.45.4179.9-65.8-20.7000114.9K87 T88 N293K87-N295 CarbonylContact C-O 3.51Å; K87-N295 VanDerWaalsContact CA-O 3.26Å; K87-N295 WeakPolarHBondContact CA-O 3.44Å; T88-N295 PolarHBondContact N-O 2.91Å; T88-N295 PolarHBondContact OG1-O 3.47Å; N293-N295 VanDerWaalsContact C-N 3.3Å; N293-N295 PolarHBondContact O-N 3.49Å
296E88.2Confident89.3Confident66 Ų6661.3 Ų61.331%0.30833%0.326SS..G310 helixtrans-125.91.1179.6-59.1-175.1155.200112.1P85 N293 Q294P85-E296 HydrophobicContact CB-CB 4.05Å; P85-E296 HydrophobicContact CG-CB 3.85Å; P85-E296 VanDerWaalsContact CG-CD 3.41Å; P85-E296 HydrophobicContact CG-CG 3.91Å; P85-E296 WeakPolarHBondContact CG-OE2 3.06Å; N293-E296 PolarHBondContact ND2-OE2 3.3Å; N293-E296 CarbonylContact O-C 3.59Å; N293-E296 WeakPolarHBondContact O-CA 3.38Å; N293-E296 PolarHBondContact O-N 2.63Å; Q294-E296 PolarHBondContact O-N 3.15Å
297M87.3Confident89.6Confident70 Ų7060.6 Ų60.635%0.34532%0.322SS..SBendtrans-133.9112.9-175-65.1-171.8-59.700111.3W288 S291 N293 Q294 F299W288-M297 PolarHBondContact NE1-O 3.27Å; S291-M297 WeakPolarHBondContact OG-CE 3.37Å; N293-M297 HydrophobicContact CB-CE 3.86Å; N293-M297 HydrophobicContact CB-CG 4.42Å; N293-M297 HydrophobicContact CB-SD 4.31Å; N293-M297 WeakPolarHBondContact O-CG 3.33Å; N293-M297 PolarHBondContact O-N 3.19Å; Q294-M297 PolarHBondContact O-N 2.82Å; Q294-M297 VanDerWaalsContact O-N 3.15Å; M297-F299 PolarHBondContact O-N 2.91Å; M297-F299 VanDerWaalsContact O-N 3.15Å
298F95.3Very high90.1Very high12 Ų1256.1 Ų56.15%0.05331%0.305CS..  trans-67.9110.4173.8-177.2-104000110.6F93 L97 R100 F102 F252 G300 D301F93-F298 HydrophobicContact CE2-CB 4.46Å; F93-F298 AromaticContact CE2-CD2 3.83Å; F93-F298 HydrophobicContact CE2-CD2 3.83Å; F93-F298 AromaticContact CZ-CD2 3.79Å; F93-F298 HydrophobicContact CZ-CD2 3.79Å; F93-F298 HydrophobicContact CZ-CE2 4.26Å; L97-F298 HydrophobicContact CD1-CD2 4.48Å; L97-F298 HydrophobicContact CD1-CE2 3.52Å; L97-F298 HydrophobicContact CD1-CZ 3.68Å; R100-F298 VanDerWaalsContact NH1-CD1 3.33Å; F102-F298 AromaticContact CE1-CE1 3.78Å; F102-F298 HydrophobicContact CE1-CE1 3.78Å; F102-F298 AromaticContact CE1-CZ 3.84Å; F102-F298 HydrophobicContact CE1-CZ 3.84Å; F102-F298 AromaticContact CZ-CE1 3.86Å; F102-F298 HydrophobicContact CZ-CE1 3.86Å; F102-F298 AromaticContact CZ-CZ 3.69Å; F102-F298 HydrophobicContact CZ-CZ 3.69Å; F252-F298 AromaticContact CE2-CD2 3.85Å; F252-F298 HydrophobicContact CE2-CD2 3.85Å; F252-F298 HydrophobicContact CE2-CE1 4.24Å; F252-F298 AromaticContact CE2-CE2 3.45Å; F252-F298 HydrophobicContact CE2-CE2 3.45Å; F252-F298 VanDerWaalsContact CE2-CE2 3.45Å; F252-F298 HydrophobicContact CE2-CG 4.4Å; F252-F298 AromaticContact CE2-CZ 3.67Å; F252-F298 HydrophobicContact CE2-CZ 3.67Å; F252-F298 HydrophobicContact CZ-CE1 4.29Å; F252-F298 AromaticContact CZ-CE2 3.93Å; F252-F298 HydrophobicContact CZ-CE2 3.93Å; F252-F298 AromaticContact CZ-CZ 3.7Å; F252-F298 HydrophobicContact CZ-CZ 3.7Å; F298-G300 PolarHBondContact O-N 2.82Å; F298-G300 VanDerWaalsContact O-N 3.14Å; F298-D301 WeakPolarHBondContact O-CB 3.13Å; F298-D301 PolarHBondContact O-N 3.2Å
299F96.3Very high90.4Very high0 Ų056.1 Ų56.10%031%0.305CS..G310 helixtrans-58.6-30.9-173.9179.4-111.2000113.8F252 I275 L284 F285 W288 M297 D301 Q302 V303 I324F252-F299 HydrophobicContact CB-CB 4.12Å; F252-F299 HydrophobicContact CB-CD1 4.07Å; F252-F299 HydrophobicContact CB-CG 4.44Å; F252-F299 HydrophobicContact CD1-CD1 4.17Å; F252-F299 HydrophobicContact CD2-CB 3.6Å; F252-F299 HydrophobicContact CD2-CD1 4.43Å; F252-F299 HydrophobicContact CE2-CB 4.18Å; F252-F299 HydrophobicContact CG-CB 3.92Å; F252-F299 AromaticContact CG-CD1 3.96Å; F252-F299 HydrophobicContact CG-CD1 3.96Å; F252-F299 HydrophobicContact CG-CG 4.42Å; I275-F299 HydrophobicContact CD1-CD1 3.62Å; I275-F299 HydrophobicContact CD1-CE1 3.7Å; L284-F299 HydrophobicContact CB-CE2 3.91Å; L284-F299 HydrophobicContact CB-CZ 4.09Å; F285-F299 HydrophobicContact CB-CE1 4.26Å; F285-F299 HydrophobicContact CB-CE2 4.26Å; F285-F299 HydrophobicContact CB-CZ 3.75Å; F285-F299 HydrophobicContact CD2-CE1 4.41Å; W288-F299 HydrophobicContact CB-CD2 3.67Å; W288-F299 HydrophobicContact CB-CE2 4.06Å; W288-F299 HydrophobicContact CD2-CB 3.84Å; W288-F299 AromaticContact CD2-CD2 3.89Å; W288-F299 HydrophobicContact CD2-CD2 3.89Å; W288-F299 HydrophobicContact CD2-CG 4.06Å; W288-F299 HydrophobicContact CE3-CB 4.3Å; W288-F299 HydrophobicContact CE3-CD2 4.28Å; W288-F299 HydrophobicContact CE3-CG 4.29Å; W288-F299 HydrophobicContact CG-CB 4.18Å; W288-F299 AromaticContact CG-CD2 3.62Å; W288-F299 HydrophobicContact CG-CD2 3.62Å; W288-F299 HydrophobicContact CG-CE2 4.47Å; W288-F299 HydrophobicContact CG-CG 4.24Å; W288-F299 HydrophobicContact CZ2-CB 4.07Å; M297-F299 PolarHBondContact O-N 2.91Å; M297-F299 VanDerWaalsContact O-N 3.15Å; F299-D301 PolarHBondContact O-N 3.17Å; F299-Q302 HydrophobicContact CD2-CB 4.4Å; F299-Q302 HydrophobicContact CE2-CB 4.45Å; F299-Q302 WeakPolarHBondContact O-CB 3.39Å; F299-Q302 PolarHBondContact O-N 3.45Å; F299-V303 HydrophobicContact CE1-CG1 3.9Å; F299-V303 HydrophobicContact CE2-CG1 4.35Å; F299-V303 HydrophobicContact CZ-CG1 3.69Å; F299-I324 HydrophobicContact CD1-CG2 4.1Å; F299-I324 HydrophobicContact CE1-CD1 4.25Å; F299-I324 HydrophobicContact CE1-CG2 3.83Å
300G95.8Very high91Very high10 Ų1056.9 Ų56.910%0.10331%0.311CS..G310 helixtrans-59.9-14.3175.600000115.3F298F298-G300 PolarHBondContact O-N 2.82Å; F298-G300 VanDerWaalsContact O-N 3.14Å
301D94.6Very high91.8Very high101 Ų10153 Ų5354%0.5428%0.283SS..G310 helixtrans-83.6-9.4173-65.8-27.8000113.4R100 F298 F299R100-D301 IonicContact CZ-OD1 2.86Å; R100-D301 IonicContact CZ-OD2 3.55Å; R100-D301 VanDerWaalsContact CZ-OD2 3.31Å; R100-D301 IonicContact NH1-OD1 2.83Å; R100-D301 PolarHBondContact NH1-OD1 3.29Å; R100-D301 IonicContact NH1-OD2 2.66Å; R100-D301 PolarHBondContact NH1-OD2 3.07Å; R100-D301 IonicContact NH2-OD2 3.82Å; R100-D301 PolarHBondContact NH2-OD2 2.96Å; F298-D301 WeakPolarHBondContact O-CB 3.13Å; F298-D301 PolarHBondContact O-N 3.2Å; F299-D301 PolarHBondContact O-N 3.17Å
302Q94.1Very high92.7Very high71 Ų7156.9 Ų56.933%0.33230%0.296SS..SBendtrans-98-8.8-176.2-57.2-167.840.200114.2L284 F299L284-Q302 WeakPolarHBondContact CD1-O 3.35Å; F299-Q302 HydrophobicContact CD2-CB 4.4Å; F299-Q302 HydrophobicContact CE2-CB 4.45Å; F299-Q302 WeakPolarHBondContact O-CB 3.39Å; F299-Q302 PolarHBondContact O-N 3.45Å
303V96.6Very high93.7Very high18 Ų1855.9 Ų55.911%0.10928%0.278CS..SBendtrans-116154.3-173.3-61.50000111.5I275 N281 L284 F299 M305 C306I275-V303 HydrophobicContact CD1-CG2 3.76Å; I275-V303 HydrophobicContact CG1-CG2 3.98Å; I275-V303 HydrophobicContact CG2-CB 4.34Å; I275-V303 HydrophobicContact CG2-CG1 4.14Å; I275-V303 HydrophobicContact CG2-CG2 4.08Å; N281-V303 HydrophobicContact CB-CG1 4.43Å; L284-V303 HydrophobicContact CD1-CG1 4.21Å; F299-V303 HydrophobicContact CE1-CG1 3.9Å; F299-V303 HydrophobicContact CE2-CG1 4.35Å; F299-V303 HydrophobicContact CZ-CG1 3.69Å; V303-M305 VanDerWaalsContact C-N 3.29Å; V303-M305 PolarHBondContact O-N 3.26Å; V303-C306 HydrophobicContact CG2-CB 4.23Å
304D93.3Very high94.5Very high157 Ų15754 Ų5484%0.8428%0.275SS*.SBendtrans-61.2-35-177.1-63.5-43.9000113.4
305M95.8Very high95.4Very high72 Ų7252.4 Ų52.436%0.35527%0.268SS..  trans-145.9127.8-176.9-65.2-67.9-76.500111.1P103 V303 Y307P103-M305 HydrophobicContact CB-CE 3.75Å; P103-M305 HydrophobicContact CG-CE 3.71Å; P103-M305 HydrophobicContact CG-SD 4.4Å; V303-M305 VanDerWaalsContact C-N 3.29Å; V303-M305 PolarHBondContact O-N 3.26Å; M305-Y307 HydrophobicContact CB-CD2 4.43Å; M305-Y307 HydrophobicContact CB-CE2 3.69Å; M305-Y307 HydrophobicContact CE-CD1 4.45Å; M305-Y307 HydrophobicContact CE-CE1 3.55Å; M305-Y307 WeakPolarHBondContact CE-OH 3.3Å
306C98.3Very high96Very high7 Ų748.8 Ų48.85%0.04725%0.249CC..  trans-129.4110.5172.11800000108.6F102 P103 I275 V303F102-C306 HydrophobicContact CD1-CB 4.41Å; P103-C306 VanDerWaalsContact CD-O 3.3Å; P103-C306 WeakPolarHBondContact CD-O 3.48Å; P103-C306 WeakPolarHBondContact CG-O 3.49Å; I275-C306 HydrophobicContact CD1-CB 4.28Å; I275-C306 HydrophobicContact CG1-CB 3.88Å; V303-C306 HydrophobicContact CG2-CB 4.23Å
307Y98.4Very high96.5Very high32 Ų3245.6 Ų45.613%0.12523%0.234CC..EExtended strand (participates in β ladder)trans-93.5130.9-168.5-61.4-91.8000112P103 E107 I108 Y273 L274 M305P103-Y307 HydrophobicContact CB-CD1 4.01Å; P103-Y307 HydrophobicContact CB-CE1 4.24Å; P103-Y307 HydrophobicContact CG-CD1 4.03Å; P103-Y307 HydrophobicContact CG-CE1 4.36Å; P103-Y307 HydrophobicContact CG-CG 4.47Å; E107-Y307 HydrophobicContact CB-CE1 4.4Å; I108-Y307 HydrophobicContact CD1-CD1 4.28Å; I108-Y307 HydrophobicContact CD1-CD2 3.63Å; I108-Y307 HydrophobicContact CD1-CE2 4.04Å; I108-Y307 HydrophobicContact CD1-CG 3.76Å; I108-Y307 HydrophobicContact CG1-CD1 4.23Å; I108-Y307 HydrophobicContact CG1-CD2 4.43Å; I108-Y307 HydrophobicContact CG1-CE1 4.5Å; I108-Y307 HydrophobicContact CG1-CG 4.2Å; I108-Y307 HydrophobicContact CG2-CD1 4.38Å; I108-Y307 HydrophobicContact CG2-CE1 3.81Å; I108-Y307 HydrophobicContact CG2-CE2 4.16Å; Y273-Y307 CarbonylContact C-O 3.31Å; Y273-Y307 WeakPolarHBondContact CA-O 3.4Å; L274-Y307 PolarHBondContact N-O 2.96Å; L274-Y307 PolarHBondContact O-N 2.71Å; M305-Y307 HydrophobicContact CB-CD2 4.43Å; M305-Y307 HydrophobicContact CB-CE2 3.69Å; M305-Y307 HydrophobicContact CE-CD1 4.45Å; M305-Y307 HydrophobicContact CE-CE1 3.55Å; M305-Y307 WeakPolarHBondContact CE-OH 3.3Å
308R98.4Very high97.1Very high96 Ų9642.4 Ų42.436%0.36222%0.218SC..EExtended strand (participates in β ladder)trans-88122.3175.3-179.8177.6170.4-176.4-5110.8F102 P103 A105 I271 Y273F102-R308 HydrophobicContact CB-CB 3.69Å; F102-R308 HydrophobicContact CG-CB 4.23Å; P103-R308 PolarHBondContact O-N 3.22Å; A105-R308 WeakPolarHBondContact CB-O 3.39Å; A105-R308 PolarHBondContact N-O 3.33Å; I271-R308 HydrophobicContact CG2-CG 3.75Å; Y273-R308 HydrophobicContact CE1-CB 4.47Å; Y273-R308 HydrophobicContact CE1-CG 4.26Å
309C98.4Very high97.2Very high2 Ų242 Ų421%0.01422%0.216CC..EExtended strand (participates in β ladder)trans-117.6127.1178179.60000110.3A105 M132 I271 F272 L274A105-C309 HydrophobicContact CB-CB 3.55Å; M132-C309 VanDerWaalsContact CE-SG 3.55Å; I271-C309 CarbonylContact C-O 3.46Å; I271-C309 VanDerWaalsContact CA-O 3.31Å; I271-C309 WeakPolarHBondContact CA-O 3.29Å; F272-C309 HydrophobicContact CB-CB 4.19Å; F272-C309 PolarHBondContact N-O 2.92Å; F272-C309 PolarHBondContact O-N 3.12Å; L274-C309 HydrophobicContact CD1-CB 3.59Å; L274-C309 HydrophobicContact CG-CB 4.36Å
310S98Very high97.3Very high44 Ų4442 Ų4231%0.30822%0.217SC..EExtended strand (participates in β ladder)trans-99.3118.5173.9169.20000109.8M132 E269 K312M132-S310 WeakPolarHBondContact CE-O 3.36Å; E269-S310 VanDerWaalsContact CD-OG 3.23Å; E269-S310 WeakPolarHBondContact OE1-CB 3.45Å; E269-S310 PolarHBondContact OE1-OG 2.82Å; S310-K312 WeakPolarHBondContact OG-CE 3.43Å
311V98.5Very high97.4Very high0 Ų041.7 Ų41.70%021%0.212CC..EExtended strand (participates in β ladder)trans-105.499.7174.3-168.40000107.7M132 V265 E269 K270 F272 N315 L317M132-V311 HydrophobicContact CE-CG2 4.01Å; V265-V311 HydrophobicContact CB-CG1 4.45Å; V265-V311 HydrophobicContact CG2-CB 4.18Å; V265-V311 HydrophobicContact CG2-CG1 3.69Å; E269-V311 WeakPolarHBondContact CA-O 3.48Å; K270-V311 PolarHBondContact N-O 2.95Å; K270-V311 PolarHBondContact O-N 2.84Å; F272-V311 HydrophobicContact CD2-CB 4.46Å; F272-V311 HydrophobicContact CD2-CG2 3.54Å; F272-V311 HydrophobicContact CE2-CB 4.31Å; F272-V311 HydrophobicContact CE2-CG2 3.66Å; V311-N315 HydrophobicContact CG1-CB 4Å; V311-L317 HydrophobicContact CG1-CB 4.37Å; V311-L317 HydrophobicContact CG2-CB 3.9Å; V311-L317 HydrophobicContact CG2-CD2 3.74Å; V311-L317 HydrophobicContact CG2-CG 4.4Å
312K97.8Very high97.6Very high115 Ų11537 Ų3750%0.519%0.188SC..EExtended strand (participates in β ladder)trans-88.1162.8-179.5-61.2-170.2174.5-173.50111.5E269 S310 G314 N315E269-K312 HydrophobicContact CG-CG 4.12Å; E269-K312 WeakPolarHBondContact OE2-CE 3.46Å; S310-K312 WeakPolarHBondContact OG-CE 3.43Å; K312-G314 PolarHBondContact O-N 3.33Å; K312-N315 VanDerWaalsContact O-CB 3.25Å; K312-N315 WeakPolarHBondContact O-CB 3.36Å; K312-N315 PolarHBondContact O-N 2.93Å
313Q97.8Very high97.8Very high99 Ų9934.1 Ų34.146%0.46317%0.174SC..THydrogen-bonded Turntrans-43.6127.6171.7-176.9166.716.400112.8V265 L266 G268 N315V265-Q313 CarbonylContact O-C 3.54Å; V265-Q313 WeakPolarHBondContact O-CA 3.47Å; L266-Q313 WeakPolarHBondContact O-CG 3.49Å; L266-Q313 PolarHBondContact O-NE2 3.26Å; G268-Q313 PolarHBondContact O-N 2.8Å; Q313-N315 VanDerWaalsContact C-N 3.33Å
314G96.9Very high97.9Very high28 Ų2833.2 Ų33.229%0.28917%0.169SC..THydrogen-bonded Turntrans87.8-16.7-178.100000115.4H264 V265 K312H264-G314 PolarHBondContact CE1-O 3.1Å; H264-G314 VanDerWaalsContact CE1-O 3.28Å; V265-G314 PolarHBondContact O-N 3.43Å; K312-G314 PolarHBondContact O-N 3.33Å
315N98.2Very high98.1Very high24 Ų2426.2 Ų26.213%0.12813%0.131CC..  trans-75.3150.3174.1-67.9-0.2000111.3M132 H264 V265 V311 K312 Q313M132-N315 HydrophobicContact SD-CB 3.85Å; H264-N315 PolarHBondContact ND1-O 2.97Å; V265-N315 PolarHBondContact N-O 2.6Å; V311-N315 HydrophobicContact CG1-CB 4Å; K312-N315 VanDerWaalsContact O-CB 3.25Å; K312-N315 WeakPolarHBondContact O-CB 3.36Å; K312-N315 PolarHBondContact O-N 2.93Å; Q313-N315 VanDerWaalsContact C-N 3.33Å
316T98.7Very high98.2Very high0 Ų022.8 Ų22.80%011%0.114CC..EExtended strand (participates in β ladder)trans-120121167.4-430000109.8V133 L139 M141 Y263 H264 F318V133-T316 PolarHBondContact N-O 2.83Å; V133-T316 PolarHBondContact O-N 2.85Å; L139-T316 HydrophobicContact CD1-CG2 4.19Å; M141-T316 HydrophobicContact CE-CG2 3.82Å; Y263-T316 CarbonylContact O-C 3.6Å; Y263-T316 VanDerWaalsContact O-CA 3.3Å; Y263-T316 WeakPolarHBondContact O-CA 3.43Å; H264-T316 HydrophobicContact CB-CG2 4.31Å; H264-T316 PolarHBondContact ND1-OG1 3.22Å; T316-F318 HydrophobicContact CG2-CD2 4.34Å; T316-F318 HydrophobicContact CG2-CE2 3.66Å; T316-F318 HydrophobicContact CG2-CZ 3.78Å
317L98.8Very high98.3Very high0 Ų023 Ų230%012%0.115CC..EExtended strand (participates in β ladder)trans-95.9139.6169.617863.8000109.3L109 P130 V131 Y263 F272 V311 I319L109-L317 HydrophobicContact CD2-CD1 4.12Å; P130-L317 HydrophobicContact CB-CD1 4.16Å; V131-L317 CarbonylContact O-C 2.95Å; Y263-L317 PolarHBondContact N-O 2.86Å; Y263-L317 PolarHBondContact O-N 2.82Å; F272-L317 HydrophobicContact CB-CD2 4.46Å; F272-L317 HydrophobicContact CD1-CD2 4.1Å; F272-L317 HydrophobicContact CD2-CD2 3.93Å; F272-L317 HydrophobicContact CE1-CD2 4.33Å; F272-L317 HydrophobicContact CE2-CD2 4.15Å; F272-L317 HydrophobicContact CG-CD2 3.91Å; F272-L317 HydrophobicContact CZ-CD2 4.36Å; V311-L317 HydrophobicContact CG1-CB 4.37Å; V311-L317 HydrophobicContact CG2-CB 3.9Å; V311-L317 HydrophobicContact CG2-CD2 3.74Å; V311-L317 HydrophobicContact CG2-CG 4.4Å; L317-I319 HydrophobicContact CD2-CD1 4.03Å; L317-I319 HydrophobicContact CD2-CG1 3.85Å; L317-I319 HydrophobicContact CG-CG1 3.95Å
318F98.8Very high98.3Very high3 Ų321.5 Ų21.51%0.01311%0.109CC..EExtended strand (participates in β ladder)trans-116.5120.3166.3-60.6-95.8000108.7L117 F127 P130 V131 V133 L139 P213 I215 V216 V261 W262 T316L117-F318 HydrophobicContact CD2-CD2 3.82Å; L117-F318 HydrophobicContact CD2-CE1 4.44Å; L117-F318 HydrophobicContact CD2-CE2 3.44Å; L117-F318 VanDerWaalsContact CD2-CE2 3.44Å; L117-F318 HydrophobicContact CD2-CG 4.47Å; L117-F318 HydrophobicContact CD2-CZ 3.79Å; F127-F318 HydrophobicContact CE2-CB 4.24Å; F127-F318 HydrophobicContact CZ-CB 4Å; P130-F318 VanDerWaalsContact CA-O 3.31Å; P130-F318 WeakPolarHBondContact CA-O 3.47Å; P130-F318 WeakPolarHBondContact CB-O 3.35Å; V131-F318 HydrophobicContact CB-CB 4.24Å; V131-F318 PolarHBondContact N-O 3.38Å; V131-F318 PolarHBondContact O-N 3.46Å; V133-F318 HydrophobicContact CG2-CD2 4.35Å; V133-F318 HydrophobicContact CG2-CE2 4Å; L139-F318 HydrophobicContact CD1-CE2 4.41Å; L139-F318 HydrophobicContact CD1-CZ 4.4Å; L139-F318 HydrophobicContact CD2-CE2 4.14Å; L139-F318 HydrophobicContact CD2-CZ 4.08Å; P213-F318 HydrophobicContact CB-CE1 4.01Å; P213-F318 HydrophobicContact CB-CZ 3.99Å; P213-F318 HydrophobicContact CG-CE1 3.95Å; P213-F318 HydrophobicContact CG-CZ 4Å; I215-F318 HydrophobicContact CG2-CE1 3.89Å; I215-F318 HydrophobicContact CG2-CZ 4.19Å; V216-F318 HydrophobicContact CG2-CE1 4.02Å; V261-F318 CarbonylContact O-C 3.56Å; V261-F318 VanDerWaalsContact O-CA 3.24Å; V261-F318 WeakPolarHBondContact O-CA 3.37Å; W262-F318 HydrophobicContact CB-CD1 3.63Å; W262-F318 HydrophobicContact CB-CE1 3.55Å; W262-F318 HydrophobicContact CB-CZ 4.5Å; T316-F318 HydrophobicContact CG2-CD2 4.34Å; T316-F318 HydrophobicContact CG2-CE2 3.66Å; T316-F318 HydrophobicContact CG2-CZ 3.78Å
319I98.7Very high98.3Very high2 Ų217 Ų171%0.019%0.092CC..EExtended strand (participates in β ladder)trans-99.6129.4178.2-55.4-178.8000107.8S260 V261 F272 L274 L317 W323S260-I319 CarbonylContact C-O 3.54Å; S260-I319 WeakPolarHBondContact CA-O 3.44Å; V261-I319 HydrophobicContact CB-CB 4.29Å; V261-I319 PolarHBondContact N-O 2.82Å; V261-I319 PolarHBondContact O-N 2.78Å; F272-I319 HydrophobicContact CD1-CD1 3.66Å; F272-I319 HydrophobicContact CE1-CD1 3.62Å; L274-I319 HydrophobicContact CD2-CD1 4.29Å; L317-I319 HydrophobicContact CD2-CD1 4.03Å; L317-I319 HydrophobicContact CD2-CG1 3.85Å; L317-I319 HydrophobicContact CG-CG1 3.95Å; I319-W323 HydrophobicContact CG2-CB 3.75Å
320P98.3Very high98.3Very high2 Ų217.5 Ų17.51%0.01310%0.096CC..  trans-86.7159.4-179.7414.3000112.8F127 V129 P130 G322 W323F127-P320 HydrophobicContact CD1-CB 4.41Å; F127-P320 HydrophobicContact CD2-CB 3.79Å; F127-P320 HydrophobicContact CD2-CG 3.87Å; F127-P320 HydrophobicContact CE1-CB 4.32Å; F127-P320 HydrophobicContact CE2-CB 3.7Å; F127-P320 HydrophobicContact CE2-CG 3.64Å; F127-P320 HydrophobicContact CG-CB 4.14Å; F127-P320 HydrophobicContact CZ-CB 3.96Å; F127-P320 HydrophobicContact CZ-CG 4.28Å; F127-P320 WeakPolarHBondContact O-CB 3.31Å; V129-P320 VanDerWaalsContact C-CG 3.41Å; V129-P320 WeakPolarHBondContact O-CG 3.42Å; P130-P320 HydrophobicContact CG-CG 4.45Å; P320-G322 PolarHBondContact O-N 3.16Å; P320-W323 HydrophobicContact CG-CG 4.47Å; P320-W323 WeakPolarHBondContact O-CB 3.39Å; P320-W323 VanDerWaalsContact O-CD1 3.25Å; P320-W323 PolarHBondContact O-N 3.46Å
321T97.9Very high98.3Very high2 Ų218.7 Ų18.71%0.01210%0.101CC..THydrogen-bonded Turntrans-27.9118.3172.8-530000115G258 S260 W323 H342 N345 M348 Q349G258-T321 WeakPolarHBondContact O-CA 3.4Å; G258-T321 VanDerWaalsContact O-CG2 3.25Å; G258-T321 WeakPolarHBondContact O-CG2 3.47Å; S260-T321 PolarHBondContact OG-N 3.03Å; S260-T321 PolarHBondContact OG-OG1 2.85Å; T321-W323 VanDerWaalsContact C-N 3.29Å; T321-W323 PolarHBondContact O-N 2.82Å; T321-H342 PolarHBondContact OG1-CE1 3.13Å; T321-N345 HydrophobicContact CG2-CB 4.3Å; T321-M348 HydrophobicContact CG2-CB 3.56Å; T321-M348 HydrophobicContact CG2-CG 3.66Å; T321-Q349 HydrophobicContact CG2-CB 4.34Å; T321-Q349 HydrophobicContact CG2-CG 3.48Å; T321-Q349 VanDerWaalsContact CG2-CG 3.48Å
322G97.2Very high98.2Very high2 Ų221.2 Ų21.22%0.02111%0.114CC..THydrogen-bonded Turntrans79.3-3.7168.800000116.2P277 P320 I324P277-G322 WeakPolarHBondContact CB-O 3.41Å; P320-G322 PolarHBondContact O-N 3.16Å; G322-I324 PolarHBondContact O-N 3.09Å
323W98.5Very high98.3Very high11 Ų1115.8 Ų15.84%0.0429%0.091CC..  trans-61.9120.2179.7-86.670.9000111.4I108 S128 V129 P130 L274 P277 I319 P320 T321 H325I108-W323 HydrophobicContact CD1-CH2 3.66Å; I108-W323 HydrophobicContact CD1-CZ3 3.73Å; S128-W323 PolarHBondContact O-NE1 3.17Å; V129-W323 HydrophobicContact CB-CZ2 4.38Å; V129-W323 HydrophobicContact CG1-CZ2 4.17Å; P130-W323 HydrophobicContact CG-CD2 4Å; P130-W323 HydrophobicContact CG-CE3 3.91Å; P130-W323 HydrophobicContact CG-CH2 4.26Å; P130-W323 HydrophobicContact CG-CZ2 4.35Å; P130-W323 HydrophobicContact CG-CZ3 4.04Å; L274-W323 HydrophobicContact CB-CE3 4.22Å; L274-W323 HydrophobicContact CB-CZ3 4.23Å; P277-W323 HydrophobicContact CG-CG 4.25Å; I319-W323 HydrophobicContact CG2-CB 3.75Å; P320-W323 HydrophobicContact CG-CG 4.47Å; P320-W323 WeakPolarHBondContact O-CB 3.39Å; P320-W323 VanDerWaalsContact O-CD1 3.25Å; P320-W323 PolarHBondContact O-N 3.46Å; T321-W323 VanDerWaalsContact C-N 3.29Å; T321-W323 PolarHBondContact O-N 2.82Å; W323-H325 PolarHBondContact O-N 2.83Å
324I98.7Very high98.3Very high0 Ų011 Ų110%07%0.069CC..EExtended strand (participates in β ladder)trans-74.6127.3179.4-58.4150.8000107.8F252 H253 I254 I275 N281 L282 F285 F299 G322F252-I324 HydrophobicContact CB-CG2 4.17Å; F252-I324 HydrophobicContact CD1-CG2 4.19Å; H253-I324 CarbonylContact O-C 3.58Å; H253-I324 WeakPolarHBondContact O-CA 3.34Å; I254-I324 HydrophobicContact CD1-CG1 3.73Å; I254-I324 HydrophobicContact CG1-CB 4.3Å; I254-I324 HydrophobicContact CG1-CG1 3.55Å; I275-I324 HydrophobicContact CB-CB 4.12Å; I275-I324 HydrophobicContact CG2-CB 4.43Å; I275-I324 HydrophobicContact CG2-CD1 4.29Å; I275-I324 PolarHBondContact N-O 3.12Å; I275-I324 PolarHBondContact O-N 3.05Å; I275-I324 VanDerWaalsContact O-N 3.16Å; N281-I324 HydrophobicContact CB-CD1 4.12Å; L282-I324 HydrophobicContact CD2-CD1 4.26Å; F285-I324 HydrophobicContact CB-CD1 3.78Å; F285-I324 HydrophobicContact CB-CG1 4.34Å; F285-I324 HydrophobicContact CD2-CG1 4.28Å; F285-I324 HydrophobicContact CD2-CG2 3.76Å; F285-I324 HydrophobicContact CE2-CG2 4.12Å; F285-I324 HydrophobicContact CG-CD1 4.18Å; F285-I324 HydrophobicContact CG-CG1 4.18Å; F285-I324 HydrophobicContact CG-CG2 4.46Å; F299-I324 HydrophobicContact CD1-CG2 4.1Å; F299-I324 HydrophobicContact CE1-CD1 4.25Å; F299-I324 HydrophobicContact CE1-CG2 3.83Å; G322-I324 PolarHBondContact O-N 3.09Å
325H98.7Very high98.4Very high9 Ų99.7 Ų9.74%0.0426%0.055CC..EExtended strand (participates in β ladder)trans-149.3149.9-178.176.4-78.3000114.7F252 H253 D255 F272 Y273 L274 W323F252-H325 VanDerWaalsContact CA-O 3.32Å; F252-H325 WeakPolarHBondContact CA-O 3.32Å; H253-H325 AromaticContact CE1-CE1 3.76Å; H253-H325 AromaticContact CE1-NE2 3.55Å; H253-H325 PolarHBondContact N-O 2.95Å; H253-H325 PolarHBondContact ND1-O 3.39Å; H253-H325 VanDerWaalsContact ND1-O 3.17Å; H253-H325 AromaticContact NE2-CE1 3.43Å; H253-H325 PolarHBondContact NE2-CE1 3.43Å; H253-H325 AromaticContact NE2-NE2 3.55Å; H253-H325 PolarHBondContact O-N 2.93Å; D255-H325 IonicContact OD2-CE1 3.47Å; D255-H325 PolarHBondContact OD2-CE1 3.22Å; D255-H325 VanDerWaalsContact OD2-CE1 3.22Å; D255-H325 IonicContact OD2-ND1 2.99Å; F272-H325 AromaticContact CD1-CD2 3.62Å; F272-H325 AromaticContact CE1-CD2 3.88Å; Y273-H325 WeakPolarHBondContact O-CA 3.27Å; L274-H325 HydrophobicContact CD2-CB 3.87Å; W323-H325 PolarHBondContact O-N 2.83Å
326A98.5Very high98.4Very high0 Ų08.6 Ų8.60%05%0.049CC..EExtended strand (participates in β ladder)trans-118.4157.6168.400000110.3Y249 T250 F252 F272 Y273Y249-A326 HydrophobicContact CE2-CB 4.09Å; Y249-A326 WeakPolarHBondContact OH-CB 3.13Å; T250-A326 WeakPolarHBondContact O-CA 3.3Å; F252-A326 HydrophobicContact CB-CB 4.43Å; F252-A326 HydrophobicContact CD1-CB 3.66Å; F252-A326 HydrophobicContact CD2-CB 3.81Å; F252-A326 HydrophobicContact CE1-CB 3.74Å; F252-A326 HydrophobicContact CE2-CB 3.91Å; F252-A326 HydrophobicContact CG-CB 3.71Å; F252-A326 HydrophobicContact CZ-CB 3.87Å; F272-A326 CarbonylContact C-O 3.44Å; F272-A326 WeakPolarHBondContact CA-O 3.4Å; Y273-A326 HydrophobicContact CD2-CB 4.47Å; Y273-A326 PolarHBondContact N-O 3.49Å; Y273-A326 PolarHBondContact O-N 3.23Å; Y273-A326 VanDerWaalsContact O-N 3.13Å
327V98.7Very high98.4Very high12 Ų128.7 Ų8.77%0.0735%0.05CC..EExtended strand (participates in β ladder)trans-132.7122-174.2-168.80000111.7Y249 T250 K270 I271 F272Y249-V327 WeakPolarHBondContact CA-O 3.44Å; Y249-V327 WeakPolarHBondContact CD2-O 3.36Å; T250-V327 PolarHBondContact N-O 2.93Å; T250-V327 PolarHBondContact O-N 2.7Å; K270-V327 HydrophobicContact CB-CG1 4.32Å; K270-V327 HydrophobicContact CD-CG1 3.88Å; I271-V327 WeakPolarHBondContact O-CA 3.32Å; F272-V327 HydrophobicContact CD1-CG2 3.68Å; F272-V327 HydrophobicContact CD2-CG1 4.5Å; F272-V327 HydrophobicContact CE1-CG1 4.41Å; F272-V327 HydrophobicContact CE1-CG2 3.57Å; F272-V327 HydrophobicContact CE2-CG1 4.29Å; F272-V327 HydrophobicContact CG-CG2 4.34Å; F272-V327 HydrophobicContact CZ-CG1 4.23Å; F272-V327 HydrophobicContact CZ-CG2 4.17Å
328L98.6Very high98.3Very high0 Ų08.8 Ų8.80%05%0.051CC..EExtended strand (participates in β ladder)trans-102.9142.3168.5174.563.9000110.6V94 L97 R98 Y249 I271 Y273 P330V94-L328 HydrophobicContact CG1-CD1 3.69Å; L97-L328 HydrophobicContact CD2-CB 4.39Å; L97-L328 HydrophobicContact CD2-CD2 4.31Å; L97-L328 HydrophobicContact CG-CD2 4.45Å; R98-L328 HydrophobicContact CG-CD2 3.89Å; Y249-L328 HydrophobicContact CD2-CB 4.24Å; I271-L328 HydrophobicContact CB-CB 4.37Å; I271-L328 PolarHBondContact N-O 3.02Å; I271-L328 PolarHBondContact O-N 3.06Å; Y273-L328 HydrophobicContact CE2-CB 3.84Å; L328-P330 WeakPolarHBondContact O-CD 3.29Å
329T98.6Very high98.3Very high1 Ų19.1 Ų9.11%0.0065%0.053CC..EExtended strand (participates in β ladder)trans-105.686.8177.8-46.30000109.1V245 D247 S248 K270 V331 C333V245-T329 WeakPolarHBondContact O-CB 3.4Å; V245-T329 WeakPolarHBondContact O-CG2 3.2Å; D247-T329 PolarHBondContact N-O 3.24Å; S248-T329 WeakPolarHBondContact O-CB 3.48Å; S248-T329 PolarHBondContact O-N 2.89Å; S248-T329 PolarHBondContact O-OG1 3.4Å; K270-T329 HydrophobicContact CD-CG2 4.1Å; K270-T329 PolarHBondContact NZ-OG1 2.89Å; T329-V331 VanDerWaalsContact CG2-O 3.24Å; T329-V331 WeakPolarHBondContact CG2-O 3.43Å; T329-V331 PolarHBondContact O-N 3.3Å; T329-C333 HydrophobicContact CG2-CB 3.71Å
330P97.9Very high98.3Very high14 Ų149.2 Ų9.29%0.0915%0.053CC..EExtended strand (participates in β ladder)trans-63.1-24.4-172.524.5-38.3000115R98 E269 I271 L328R98-P330 PolarHBondContact NH2-O 2.93Å; E269-P330 HydrophobicContact CB-CG 3.86Å; E269-P330 HydrophobicContact CG-CG 3.79Å; E269-P330 VanDerWaalsContact O-CD 3.26Å; E269-P330 WeakPolarHBondContact O-CD 3.41Å; I271-P330 HydrophobicContact CD1-CB 3.91Å; I271-P330 HydrophobicContact CD1-CG 3.82Å; I271-P330 HydrophobicContact CG1-CG 3.95Å; L328-P330 WeakPolarHBondContact O-CD 3.29Å
331V97.8Very high98.3Very high69 Ų699.2 Ų9.242%0.4185%0.053SC..EExtended strand (participates in β ladder)trans-147.4160.6176.9-64.30000108.9E269 T329 C333E269-V331 HydrophobicContact CB-CG2 4.2Å; T329-V331 VanDerWaalsContact CG2-O 3.24Å; T329-V331 WeakPolarHBondContact CG2-O 3.43Å; T329-V331 PolarHBondContact O-N 3.3Å; V331-C333 PolarHBondContact O-N 3.24Å
332D98.1Very high98.4Very high53 Ų539.2 Ų9.228%0.2835%0.053SC..EExtended strand (participates in β ladder)trans-47.7127.4174.6-72.74.7000111.7R190 V245 K246 G268R190-D332 IonicContact CZ-OD1 3.13Å; R190-D332 IonicContact CZ-OD2 2.68Å; R190-D332 VanDerWaalsContact NH1-CG 3.3Å; R190-D332 IonicContact NH1-OD1 2.95Å; R190-D332 PolarHBondContact NH1-OD1 3.14Å; R190-D332 IonicContact NH1-OD2 3.73Å; R190-D332 PolarHBondContact NH1-OD2 3.27Å; R190-D332 IonicContact NH2-OD2 2.74Å; R190-D332 PolarHBondContact NH2-OD2 3.28Å; V245-D332 WeakPolarHBondContact CA-OD1 3.44Å; K246-D332 WeakPolarHBondContact CB-OD1 3.4Å; K246-D332 PolarHBondContact N-OD1 3.05Å; G268-D332 WeakPolarHBondContact CA-O 3.35Å
333C98.4Very high98.4Very high0 Ų010.2 Ų10.20%06%0.06CC..EExtended strand (participates in β ladder)trans-137.6134.4-165.8-177.40000112.5Y185 G244 R267 K270 T329 V331Y185-C333 PolarHBondContact OH-N 3.31Å; G244-C333 PolarHBondContact N-O 3.19Å; G244-C333 PolarHBondContact O-N 3.01Å; R267-C333 VanDerWaalsContact O-CA 3.31Å; R267-C333 WeakPolarHBondContact O-CA 3.25Å; R267-C333 PolarHBondContact O-SG 3.07Å; R267-C333 VanDerWaalsContact O-SG 3.39Å; K270-C333 VanDerWaalsContact CE-SG 3.51Å; T329-C333 HydrophobicContact CG2-CB 3.71Å; V331-C333 PolarHBondContact O-N 3.24Å
334L98.6Very high98.3Very high0 Ų010.3 Ų10.30%06%0.061CC..EExtended strand (participates in β ladder)trans-118121.8166.5175.362000108.4F148 V153 M243 L266 R267F148-L334 HydrophobicContact CD1-CD2 4.09Å; V153-L334 HydrophobicContact CG2-CD1 4.28Å; M243-L334 HydrophobicContact CG-CD1 3.76Å; L266-L334 HydrophobicContact CD2-CD2 4.39Å; L266-L334 PolarHBondContact N-O 2.7Å; R267-L334 HydrophobicContact CB-CB 4.4Å; R267-L334 PolarHBondContact N-O 2.8Å; R267-L334 PolarHBondContact O-N 2.88Å
335A98.6Very high98.2Very high0 Ų012.4 Ų12.40%07%0.072CC..EExtended strand (participates in β ladder)trans-136.5157.3-177.500000111.6L242 Y263 H264 V265L242-A335 HydrophobicContact CB-CB 4.39Å; L242-A335 PolarHBondContact N-O 3.13Å; L242-A335 PolarHBondContact O-N 2.9Å; Y263-A335 HydrophobicContact CD1-CB 4.35Å; Y263-A335 HydrophobicContact CE1-CB 3.51Å; H264-A335 CarbonylContact O-C 3.6Å; H264-A335 VanDerWaalsContact O-CA 3.26Å; H264-A335 WeakPolarHBondContact O-CA 3.24Å; H264-A335 WeakPolarHBondContact O-CB 3.39Å; V265-A335 HydrophobicContact CG2-CB 4.33Å
336F98.7Very high98.1Very high0 Ų012 Ų120%07%0.07CC..EExtended strand (participates in β ladder)trans-121140.3174.2-73.8-83.9000109.4L143 P144 F148 F201 L206 V210 Y240 C241 W262 H264 L266L143-F336 HydrophobicContact CD2-CB 3.93Å; L143-F336 HydrophobicContact CD2-CD2 4.16Å; L143-F336 HydrophobicContact CD2-CG 4.01Å; P144-F336 HydrophobicContact CG-CE2 3.93Å; P144-F336 HydrophobicContact CG-CZ 4.05Å; F148-F336 HydrophobicContact CE1-CZ 4.12Å; F201-F336 AromaticContact CE1-CD1 3.65Å; F201-F336 HydrophobicContact CE1-CD1 3.65Å; F201-F336 AromaticContact CE1-CE1 3.73Å; F201-F336 HydrophobicContact CE1-CE1 3.73Å; F201-F336 AromaticContact CZ-CD1 3.61Å; F201-F336 HydrophobicContact CZ-CD1 3.61Å; F201-F336 AromaticContact CZ-CE1 3.63Å; F201-F336 HydrophobicContact CZ-CE1 3.63Å; L206-F336 HydrophobicContact CD2-CE1 4.15Å; L206-F336 HydrophobicContact CD2-CZ 4.49Å; V210-F336 HydrophobicContact CG2-CD1 3.93Å; V210-F336 HydrophobicContact CG2-CE1 3.83Å; V210-F336 HydrophobicContact CG2-CZ 4.35Å; Y240-F336 WeakPolarHBondContact O-CA 3.21Å; C241-F336 HydrophobicContact CB-CD1 4.43Å; C241-F336 HydrophobicContact CB-CE1 4.05Å; W262-F336 HydrophobicContact CH2-CB 4.09Å; W262-F336 HydrophobicContact CZ3-CB 4.34Å; H264-F336 PolarHBondContact N-O 3.33Å; H264-F336 PolarHBondContact O-N 2.8Å; L266-F336 HydrophobicContact CB-CD2 4.32Å; L266-F336 HydrophobicContact CD2-CD2 4.23Å; L266-F336 HydrophobicContact CD2-CE2 3.73Å
337G98.2Very high98.1Very high3 Ų315.2 Ų15.23%0.0319%0.088CC..EExtended strand (participates in β ladder)trans-157.1-174.4178.300000113.2Y240 W262Y240-G337 PolarHBondContact N-O 3.04Å; Y240-G337 PolarHBondContact O-N 3Å; W262-G337 VanDerWaalsContact CE2-C 3.49Å; W262-G337 VanDerWaalsContact CZ2-C 3.5Å; W262-G337 WeakPolarHBondContact CZ2-O 3.48Å; W262-G337 CarbonylContact O-C 3.51Å; W262-G337 WeakPolarHBondContact O-CA 3.4Å
338G98Very high98Very high2 Ų215.2 Ų15.22%0.0219%0.087CC..EExtended strand (participates in β ladder)trans178.5156178.700000113.6V261 W262V261-G338 WeakPolarHBondContact CA-O 3.18Å; W262-G338 PolarHBondContact N-O 2.87Å; W262-G338 VanDerWaalsContact NE1-CA 3.35Å; W262-G338 PolarHBondContact O-N 2.88Å
339N98.6Very high98Very high10 Ų1015.3 Ų15.35%0.0539%0.087CC..EExtended strand (participates in β ladder)trans-106.3142.3-172-67.962.2000109.8V237 D255 F256 T259 S260 V261V237-N339 HydrophobicContact CG2-CB 4.38Å; V237-N339 PolarHBondContact O-N 3.38Å; D255-N339 PolarHBondContact OD1-ND2 3.42Å; F256-N339 HydrophobicContact CE1-CB 4.47Å; F256-N339 HydrophobicContact CE2-CB 3.88Å; F256-N339 HydrophobicContact CZ-CB 3.62Å; F256-N339 VanDerWaalsContact CZ-CG 3.46Å; T259-N339 HydrophobicContact CG2-CB 4.1Å; T259-N339 PolarHBondContact OG1-ND2 2.98Å; S260-N339 CarbonylContact O-C 3.59Å; S260-N339 WeakPolarHBondContact O-CA 3.45Å; V261-N339 WeakPolarHBondContact CG2-ND2 3.34Å
340F98.5Very high97.9Very high4 Ų415.9 Ų15.92%0.0189%0.091CC..EExtended strand (participates in β ladder)trans-149.1138.6179.465.2-71.1000112.6F127 V216 L219 S260 H342F127-F340 HydrophobicContact CE1-CZ 4.07Å; V216-F340 HydrophobicContact CG1-CB 4.04Å; V216-F340 HydrophobicContact CG1-CD1 3.8Å; V216-F340 HydrophobicContact CG1-CD2 4.21Å; V216-F340 HydrophobicContact CG1-CE1 4.3Å; V216-F340 HydrophobicContact CG1-CG 3.78Å; V216-F340 HydrophobicContact CG2-CD1 4.15Å; V216-F340 HydrophobicContact CG2-CE1 3.8Å; V216-F340 HydrophobicContact CG2-CE2 4.46Å; V216-F340 HydrophobicContact CG2-CZ 3.96Å; L219-F340 HydrophobicContact CB-CD2 4.29Å; L219-F340 HydrophobicContact CB-CE2 4.1Å; L219-F340 HydrophobicContact CD1-CE2 4.38Å; S260-F340 PolarHBondContact N-O 2.78Å; S260-F340 WeakPolarHBondContact O-CD1 3.32Å; S260-F340 WeakPolarHBondContact O-CE1 3.5Å; S260-F340 PolarHBondContact O-N 3.41Å; F340-H342 HydrophobicContact CD2-CB 4.49Å; F340-H342 AromaticContact CE2-CD2 3.78Å
341L98.6Very high97.9Very high2 Ų219.5 Ų19.51%0.0110%0.102CC..  trans-93.4145.5170.7-61.9172.2000109.4S220 W221 G257 T259 Q349 F367 F370 V373S220-L341 CarbonylContact C-O 3.59Å; S220-L341 WeakPolarHBondContact CA-O 3.21Å; W221-L341 HydrophobicContact CB-CB 4.31Å; W221-L341 HydrophobicContact CD2-CB 3.65Å; W221-L341 HydrophobicContact CE3-CB 3.34Å; W221-L341 HydrophobicContact CE3-CD1 3.7Å; W221-L341 HydrophobicContact CE3-CG 4.13Å; W221-L341 HydrophobicContact CG-CB 4.08Å; W221-L341 HydrophobicContact CZ3-CB 3.99Å; W221-L341 HydrophobicContact CZ3-CD1 3.99Å; W221-L341 PolarHBondContact N-O 3.45Å; G257-L341 WeakPolarHBondContact O-CD2 3.46Å; T259-L341 HydrophobicContact CG2-CD2 3.44Å; T259-L341 VanDerWaalsContact CG2-CD2 3.44Å; T259-L341 HydrophobicContact CG2-CG 3.69Å; L341-Q349 HydrophobicContact CD2-CB 4.38Å; L341-Q349 HydrophobicContact CD2-CG 3.97Å; L341-F367 HydrophobicContact CD1-CD1 3.92Å; L341-F367 HydrophobicContact CD1-CD2 3.93Å; L341-F367 HydrophobicContact CD1-CE1 3.69Å; L341-F367 HydrophobicContact CD1-CE2 3.69Å; L341-F367 HydrophobicContact CD1-CG 4.05Å; L341-F367 HydrophobicContact CD1-CZ 3.58Å; L341-F367 HydrophobicContact CD2-CD2 4.48Å; L341-F367 HydrophobicContact CG-CD2 4.08Å; L341-F367 HydrophobicContact CG-CE2 3.74Å; L341-F367 HydrophobicContact CG-CZ 4.05Å; L341-F370 HydrophobicContact CD1-CD2 3.82Å; L341-F370 HydrophobicContact CD1-CE2 3.84Å; L341-F370 HydrophobicContact CD2-CE2 3.95Å; L341-V373 HydrophobicContact CD1-CG1 3.83Å
342H98.1Very high97.8Very high1 Ų116.4 Ų16.41%0.0058%0.084CC..  trans-151.8161.1-174.663.120.1000114.2F127 L219 S260 T321 F340 L344 Q349F127-H342 AromaticContact CD1-CD2 3.89Å; F127-H342 AromaticContact CD1-NE2 3.26Å; F127-H342 VanDerWaalsContact CD1-NE2 3.26Å; F127-H342 WeakPolarHBondContact CD1-NE2 3.47Å; F127-H342 AromaticContact CE1-NE2 3.65Å; L219-H342 HydrophobicContact CB-CB 3.92Å; L219-H342 WeakPolarHBondContact O-CA 3.49Å; L219-H342 WeakPolarHBondContact O-CB 3.49Å; S260-H342 PolarHBondContact OG-CE1 3.31Å; S260-H342 PolarHBondContact OG-NE2 3.3Å; T321-H342 PolarHBondContact OG1-CE1 3.13Å; F340-H342 HydrophobicContact CD2-CB 4.49Å; F340-H342 AromaticContact CE2-CD2 3.78Å; H342-L344 VanDerWaalsContact C-N 3.27Å; H342-L344 PolarHBondContact O-N 3.47Å; H342-Q349 PolarHBondContact ND1-OE1 3Å; H342-Q349 PolarHBondContact O-OE1 3.41Å
343S97.5Very high97.7Very high24 Ų2414.7 Ų14.717%0.1687%0.074CC..THydrogen-bonded Turntrans-78.1-2.2-174-55.40000115.4W221 Y398W221-S343 PolarHBondContact NE1-OG 2.78Å; W221-S343 VanDerWaalsContact NE1-OG 3.08Å; S343-Y398 WeakPolarHBondContact O-CD2 3.21Å; S343-Y398 WeakPolarHBondContact O-CE2 3.45Å
344L96.9Very high97.6Very high12 Ų1218 Ų186%0.0639%0.089CC..THydrogen-bonded Turntrans-71-38.5-177-62.4178000112.9L122 E123 F127 L219 H342 Y398L122-L344 HydrophobicContact CB-CD1 3.92Å; E123-L344 HydrophobicContact CG-CD2 4.09Å; F127-L344 HydrophobicContact CB-CD1 3.66Å; F127-L344 HydrophobicContact CD1-CD1 4.23Å; F127-L344 HydrophobicContact CG-CD1 4.47Å; L219-L344 HydrophobicContact CD1-CD1 4.02Å; L219-L344 HydrophobicContact CD2-CD1 4.48Å; H342-L344 VanDerWaalsContact C-N 3.27Å; H342-L344 PolarHBondContact O-N 3.47Å; L344-Y398 HydrophobicContact CD2-CD2 4.29Å; L344-Y398 HydrophobicContact CD2-CE1 4.44Å; L344-Y398 HydrophobicContact CD2-CE2 3.7Å
345N96.4Very high97.3Very high44 Ų4418.4 Ų18.424%0.2359%0.091CC..SBendtrans-14050.7-174.1-162.91.5000113.2T321 D347 M348 Q349T321-N345 HydrophobicContact CG2-CB 4.3Å; N345-D347 PolarHBondContact O-N 3.09Å; N345-M348 WeakPolarHBondContact ND2-CB 3.5Å; N345-M348 PolarHBondContact O-N 3.11Å; N345-M348 VanDerWaalsContact O-N 3.08Å; N345-M348 WeakPolarHBondContact OD1-CB 3.24Å; N345-Q349 PolarHBondContact O-N 2.75Å
346I98Very high97Very high1 Ų119.2 Ų19.21%0.00510%0.095CC..Hα-helixtrans-52.6-39.1-177.3-48.9-168.1000112.5W221 M348 Q349 L350 L381 L406W221-I346 HydrophobicContact CH2-CG2 4.05Å; W221-I346 HydrophobicContact CZ2-CD1 4.03Å; W221-I346 HydrophobicContact CZ2-CG1 3.94Å; W221-I346 HydrophobicContact CZ2-CG2 4.19Å; I346-M348 VanDerWaalsContact C-N 3.34Å; I346-M348 PolarHBondContact O-N 3.35Å; I346-Q349 PolarHBondContact O-N 2.84Å; I346-L350 HydrophobicContact CG2-CD1 4Å; I346-L350 HydrophobicContact CG2-CG 4.46Å; I346-L350 WeakPolarHBondContact O-CG 3.41Å; I346-L350 PolarHBondContact O-N 3.29Å; I346-L381 HydrophobicContact CD1-CD1 3.82Å; I346-L406 HydrophobicContact CG2-CB 4.16Å
347D96.5Very high96.5Very high67 Ų6722.3 Ų22.336%0.35811%0.108SC..Hα-helixtrans-63-36.5-179.4179.689.1000112.8N345 R351 A405N345-D347 PolarHBondContact O-N 3.09Å; D347-R351 WeakPolarHBondContact O-CG 3.48Å; D347-R351 PolarHBondContact O-N 2.84Å; D347-R351 IonicContact OD2-CZ 3.16Å; D347-R351 IonicContact OD2-NE 2.74Å; D347-R351 PolarHBondContact OD2-NE 2.81Å; D347-R351 IonicContact OD2-NH2 2.72Å; D347-R351 PolarHBondContact OD2-NH2 2.84Å; D347-A405 HydrophobicContact CB-CB 3.92Å
348M97.3Very high96.1Very high13 Ų1328.2 Ų28.26%0.06413%0.13CC..Hα-helixtrans-76.3-36.1176.8-173.371.779.100112.3P277 L282 T321 N345 I346 L350 R351 A352P277-M348 HydrophobicContact CB-CE 3.73Å; P277-M348 HydrophobicContact CB-SD 4.14Å; P277-M348 HydrophobicContact CG-CE 3.86Å; P277-M348 WeakPolarHBondContact O-CE 3.21Å; L282-M348 HydrophobicContact CD1-CE 4.37Å; L282-M348 HydrophobicContact CD1-SD 3.81Å; T321-M348 HydrophobicContact CG2-CB 3.56Å; T321-M348 HydrophobicContact CG2-CG 3.66Å; N345-M348 WeakPolarHBondContact ND2-CB 3.5Å; N345-M348 PolarHBondContact O-N 3.11Å; N345-M348 VanDerWaalsContact O-N 3.08Å; N345-M348 WeakPolarHBondContact OD1-CB 3.24Å; I346-M348 VanDerWaalsContact C-N 3.34Å; I346-M348 PolarHBondContact O-N 3.35Å; M348-L350 VanDerWaalsContact C-N 3.34Å; M348-L350 PolarHBondContact O-N 3.23Å; M348-R351 PolarHBondContact O-N 3.06Å; M348-R351 PolarHBondContact SD-NH1 3.37Å; M348-A352 PolarHBondContact O-N 3.42Å
349Q98.3Very high95.4Very high1 Ų130.4 Ų30.41%0.00514%0.141CC..Hα-helixtrans-58.2-47.6172.2-67.1172.9-165.200110.7W221 T321 L341 H342 N345 I346 R351 A352 Y353 F370W221-Q349 VanDerWaalsContact CZ3-NE2 3.27Å; T321-Q349 HydrophobicContact CG2-CB 4.34Å; T321-Q349 HydrophobicContact CG2-CG 3.48Å; T321-Q349 VanDerWaalsContact CG2-CG 3.48Å; L341-Q349 HydrophobicContact CD2-CB 4.38Å; L341-Q349 HydrophobicContact CD2-CG 3.97Å; H342-Q349 PolarHBondContact ND1-OE1 3Å; H342-Q349 PolarHBondContact O-OE1 3.41Å; N345-Q349 PolarHBondContact O-N 2.75Å; I346-Q349 PolarHBondContact O-N 2.84Å; Q349-R351 VanDerWaalsContact C-N 3.34Å; Q349-R351 PolarHBondContact O-N 2.99Å; Q349-A352 PolarHBondContact O-N 3.04Å; Q349-Y353 PolarHBondContact O-N 2.82Å; Q349-F370 HydrophobicContact CB-CZ 4.47Å
350L98Very high94.6Very high14 Ų1434.8 Ų34.87%0.07317%0.172CC..Hα-helixtrans-62.5-38.8175.8-68167.3000112.1I346 M348 E354 F370 A405 L406 A409 W413I346-L350 HydrophobicContact CG2-CD1 4Å; I346-L350 HydrophobicContact CG2-CG 4.46Å; I346-L350 WeakPolarHBondContact O-CG 3.41Å; I346-L350 PolarHBondContact O-N 3.29Å; M348-L350 VanDerWaalsContact C-N 3.34Å; M348-L350 PolarHBondContact O-N 3.23Å; L350-E354 VanDerWaalsContact O-CG 3.29Å; L350-E354 WeakPolarHBondContact O-CG 3.38Å; L350-E354 PolarHBondContact O-N 3.22Å; L350-F370 HydrophobicContact CD2-CE1 4.17Å; L350-F370 HydrophobicContact CD2-CZ 4.46Å; L350-A405 HydrophobicContact CD1-CB 4.02Å; L350-L406 HydrophobicContact CD1-CB 4.38Å; L350-L406 HydrophobicContact CD1-CD1 4.45Å; L350-L406 HydrophobicContact CD2-CD1 4.46Å; L350-A409 HydrophobicContact CD1-CB 4.22Å; L350-A409 HydrophobicContact CD2-CB 3.99Å; L350-W413 HydrophobicContact CD2-CH2 4Å; L350-W413 HydrophobicContact CD2-CZ2 3.99Å
351R96.8Very high93.7Very high90 Ų9036.4 Ų36.434%0.3418%0.182SC..Hα-helixtrans-66.6-36.2176.1-80.3-172.5-80130.8-6.8113.4D347 M348 Q349 I355D347-R351 WeakPolarHBondContact O-CG 3.48Å; D347-R351 PolarHBondContact O-N 2.84Å; D347-R351 IonicContact OD2-CZ 3.16Å; D347-R351 IonicContact OD2-NE 2.74Å; D347-R351 PolarHBondContact OD2-NE 2.81Å; D347-R351 IonicContact OD2-NH2 2.72Å; D347-R351 PolarHBondContact OD2-NH2 2.84Å; M348-R351 PolarHBondContact O-N 3.06Å; M348-R351 PolarHBondContact SD-NH1 3.37Å; Q349-R351 VanDerWaalsContact C-N 3.34Å; Q349-R351 PolarHBondContact O-N 2.99Å; R351-I355 WeakPolarHBondContact O-CD1 3.48Å; R351-I355 VanDerWaalsContact O-CG1 3.3Å; R351-I355 WeakPolarHBondContact O-CG1 3.44Å; R351-I355 PolarHBondContact O-N 2.82Å; R351-I355 VanDerWaalsContact O-N 3.14Å
352A96.4Very high92.5Very high4 Ų439 Ų393%0.03321%0.205CC..Hα-helixtrans-67.7-47.8174.700000111.8I254 M348 Q349 E354 I355 E356I254-A352 HydrophobicContact CG2-CB 4.29Å; M348-A352 PolarHBondContact O-N 3.42Å; Q349-A352 PolarHBondContact O-N 3.04Å; A352-E354 VanDerWaalsContact C-N 3.29Å; A352-E354 PolarHBondContact O-N 2.86Å; A352-I355 CarbonylContact O-C 3.59Å; A352-I355 WeakPolarHBondContact O-CA 3.34Å; A352-I355 WeakPolarHBondContact O-CB 3.29Å; A352-I355 PolarHBondContact O-N 3.13Å; A352-E356 WeakPolarHBondContact O-CG 3.31Å; A352-E356 PolarHBondContact O-N 3.42Å
353Y96.4Very high91.3Very high16 Ų1645 Ų456%0.06324%0.236CC..Hα-helixtrans-54.7-43174.2176.9-104.7000112.5Q349 I355 E356 K357 F370 E371 W413Q349-Y353 PolarHBondContact O-N 2.82Å; Y353-I355 VanDerWaalsContact C-N 3.33Å; Y353-I355 PolarHBondContact O-N 3.4Å; Y353-E356 WeakPolarHBondContact O-CB 3.36Å; Y353-E356 PolarHBondContact O-N 3.31Å; Y353-K357 HydrophobicContact CD1-CD 4.26Å; Y353-K357 HydrophobicContact CE1-CD 3.59Å; Y353-K357 HydrophobicContact CE1-CG 4.35Å; Y353-K357 PolarHBondContact O-N 2.73Å; Y353-F370 AromaticContact CD1-CD1 3.87Å; Y353-F370 HydrophobicContact CD1-CD1 3.87Å; Y353-F370 AromaticContact CD1-CE1 3.73Å; Y353-F370 HydrophobicContact CD1-CE1 3.73Å; Y353-F370 HydrophobicContact CD2-CB 4.18Å; Y353-F370 AromaticContact CD2-CD1 3.34Å; Y353-F370 HydrophobicContact CD2-CD1 3.34Å; Y353-F370 HydrophobicContact CD2-CD2 4.45Å; Y353-F370 AromaticContact CD2-CE1 3.74Å; Y353-F370 HydrophobicContact CD2-CE1 3.74Å; Y353-F370 AromaticContact CD2-CG 3.74Å; Y353-F370 HydrophobicContact CD2-CG 3.74Å; Y353-F370 HydrophobicContact CD2-CZ 4.43Å; Y353-F370 HydrophobicContact CE1-CD1 4.12Å; Y353-F370 HydrophobicContact CE1-CE1 4.38Å; Y353-F370 HydrophobicContact CE2-CB 4.03Å; Y353-F370 AromaticContact CE2-CD1 3.63Å; Y353-F370 HydrophobicContact CE2-CD1 3.63Å; Y353-F370 HydrophobicContact CE2-CE1 4.39Å; Y353-F370 HydrophobicContact CE2-CG 4.03Å; Y353-F370 AromaticContact CG-CD1 3.48Å; Y353-F370 HydrophobicContact CG-CD1 3.48Å; Y353-F370 VanDerWaalsContact CG-CD1 3.48Å; Y353-F370 AromaticContact CG-CE1 3.37Å; Y353-F370 HydrophobicContact CG-CE1 3.37Å; Y353-F370 HydrophobicContact CG-CG 4.26Å; Y353-F370 HydrophobicContact CG-CZ 4.08Å; Y353-E371 HydrophobicContact CE1-CG 4.21Å; Y353-E371 PolarHBondContact OH-OE1 3.07Å; Y353-W413 HydrophobicContact CD1-CZ2 4.44Å; Y353-W413 HydrophobicContact CE1-CZ2 4.23Å
354E94.9Very high90.1Very high70 Ų7050.2 Ų50.233%0.32726%0.262SS..Hα-helixtrans-67.8-29.1175.4-69.3-72166.300112.9L350 A352 R358L350-E354 VanDerWaalsContact O-CG 3.29Å; L350-E354 WeakPolarHBondContact O-CG 3.38Å; L350-E354 PolarHBondContact O-N 3.22Å; A352-E354 VanDerWaalsContact C-N 3.29Å; A352-E354 PolarHBondContact O-N 2.86Å; E354-R358 WeakPolarHBondContact O-CG 3.45Å; E354-R358 PolarHBondContact O-N 2.84Å; E354-R358 PolarHBondContact O-NH1 2.74Å
355I92.9Very high89.3Confident9 Ų954.5 Ų54.55%0.04628%0.28CS..Hα-helixtrans-68.5-46.2170.3-68.8161.3000110.1L282 E286 R351 A352 Y353 K357 R358 L359L282-I355 HydrophobicContact CB-CD1 4.35Å; L282-I355 HydrophobicContact CD2-CD1 4.22Å; E286-I355 HydrophobicContact CB-CG2 4.39Å; E286-I355 HydrophobicContact CG-CG2 4.34Å; R351-I355 WeakPolarHBondContact O-CD1 3.48Å; R351-I355 VanDerWaalsContact O-CG1 3.3Å; R351-I355 WeakPolarHBondContact O-CG1 3.44Å; R351-I355 PolarHBondContact O-N 2.82Å; R351-I355 VanDerWaalsContact O-N 3.14Å; A352-I355 CarbonylContact O-C 3.59Å; A352-I355 WeakPolarHBondContact O-CA 3.34Å; A352-I355 WeakPolarHBondContact O-CB 3.29Å; A352-I355 PolarHBondContact O-N 3.13Å; Y353-I355 VanDerWaalsContact C-N 3.33Å; Y353-I355 PolarHBondContact O-N 3.4Å; I355-K357 VanDerWaalsContact C-N 3.29Å; I355-K357 PolarHBondContact O-N 3.24Å; I355-R358 VanDerWaalsContact CG1-NH2 3.28Å; I355-R358 PolarHBondContact O-N 3.29Å; I355-L359 HydrophobicContact CG2-CD1 3.74Å; I355-L359 HydrophobicContact CG2-CG 4.14Å; I355-L359 WeakPolarHBondContact O-CG 3.49Å; I355-L359 PolarHBondContact O-N 2.93Å
356E91.6Very high88.9Confident16 Ų1654.5 Ų54.58%0.07528%0.278CS..Hα-helixtrans-57-40.5177.3-68.8160-146.200112G257 G258 A352 Y353 S360 T361G257-E356 WeakPolarHBondContact CA-OE1 3.08Å; G257-E356 VanDerWaalsContact N-CD 3.35Å; G257-E356 PolarHBondContact N-OE1 2.89Å; G257-E356 PolarHBondContact N-OE2 3.05Å; G257-E356 VanDerWaalsContact N-OE2 3.13Å; G258-E356 PolarHBondContact N-OE1 2.93Å; A352-E356 WeakPolarHBondContact O-CG 3.31Å; A352-E356 PolarHBondContact O-N 3.42Å; Y353-E356 WeakPolarHBondContact O-CB 3.36Å; Y353-E356 PolarHBondContact O-N 3.31Å; E356-S360 PolarHBondContact O-N 3.3Å; E356-T361 PolarHBondContact O-N 2.86Å; E356-T361 PolarHBondContact O-OG1 2.98Å
357K88.3Confident88.8Confident65 Ų6554.8 Ų54.828%0.28328%0.279SS..Hα-helixtrans-63.8-43.6173.2-68.8-174.787.3155.80112.4Y353 I355 S360 E371 H422Y353-K357 HydrophobicContact CD1-CD 4.26Å; Y353-K357 HydrophobicContact CE1-CD 3.59Å; Y353-K357 HydrophobicContact CE1-CG 4.35Å; Y353-K357 PolarHBondContact O-N 2.73Å; I355-K357 VanDerWaalsContact C-N 3.29Å; I355-K357 PolarHBondContact O-N 3.24Å; K357-S360 PolarHBondContact O-N 2.84Å; K357-E371 IonicContact NZ-OE1 2.67Å; K357-H422 PolarHBondContact NZ-CE1 2.95Å; K357-H422 VanDerWaalsContact NZ-CE1 3.31Å
358R89.8Confident88.7Confident128 Ų12854.4 Ų54.448%0.48328%0.28SS..Hα-helixtrans-70.7-34.8-179.9-70.9-169.1-53-802.6113.4E286 E354 I355 S360E286-R358 IonicContact OE1-CZ 2.71Å; E286-R358 IonicContact OE1-NE 2.66Å; E286-R358 PolarHBondContact OE1-NE 2.88Å; E286-R358 IonicContact OE1-NH2 3.84Å; E286-R358 PolarHBondContact OE1-NH2 2.82Å; E286-R358 IonicContact OE2-CZ 2.86Å; E286-R358 IonicContact OE2-NE 2.59Å; E286-R358 IonicContact OE2-NH2 2.69Å; E286-R358 PolarHBondContact OE2-NH2 2.87Å; E354-R358 WeakPolarHBondContact O-CG 3.45Å; E354-R358 PolarHBondContact O-N 2.84Å; E354-R358 PolarHBondContact O-NH1 2.74Å; I355-R358 VanDerWaalsContact CG1-NH2 3.28Å; I355-R358 PolarHBondContact O-N 3.29Å; R358-S360 PolarHBondContact O-N 2.94Å
359L83.5Confident88.6Confident47 Ų4755.9 Ų55.925%0.24629%0.288CS..THydrogen-bonded Turntrans-71.5-6.4172.7-68.5177.9000113.2F285 E286 I355 T361F285-L359 HydrophobicContact CE1-CD1 4.45Å; E286-L359 HydrophobicContact CG-CD2 4.11Å; E286-L359 HydrophobicContact CG-CG 4.47Å; I355-L359 HydrophobicContact CG2-CD1 3.74Å; I355-L359 HydrophobicContact CG2-CG 4.14Å; I355-L359 WeakPolarHBondContact O-CG 3.49Å; I355-L359 PolarHBondContact O-N 2.93Å; L359-T361 PolarHBondContact O-N 2.89Å
360S82.4Confident88.5Confident102 Ų10256 Ų5671%0.71329%0.289SS*.THydrogen-bonded Turntrans56.635.7-176.2-53.10000112.9E356 K357 R358E356-S360 PolarHBondContact O-N 3.3Å; K357-S360 PolarHBondContact O-N 2.84Å; R358-S360 PolarHBondContact O-N 2.94Å
361T78.4Confident88.5Confident38 Ų3855.3 Ų55.323%0.23329%0.285CS..  trans-52.6140178.2-55.70000110.5E356 L359 F365 K366E356-T361 PolarHBondContact O-N 2.86Å; E356-T361 PolarHBondContact O-OG1 2.98Å; L359-T361 PolarHBondContact O-N 2.89Å; T361-F365 HydrophobicContact CG2-CB 3.81Å; T361-K366 HydrophobicContact CG2-CG 4.32Å; T361-K366 WeakPolarHBondContact O-CE 2.94Å; T361-K366 PolarHBondContact O-NZ 3.26Å
362A73.5Confident88.5Confident58 Ų5851 Ų5148%0.47927%0.269SS..  trans-70.3146.6175.200000111L364 F365A362-L364 PolarHBondContact O-N 3.17Å; A362-L364 VanDerWaalsContact O-N 3.16Å; A362-F365 HydrophobicContact CB-CD2 4.22Å; A362-F365 PolarHBondContact O-N 2.94Å
363D73.3Confident88.5Confident125 Ų12550.9 Ų50.967%0.66827%0.268SS*.G310 helixtrans-65.9-23.4-168.1-56.3-51.2000114.3F365 K366D363-F365 PolarHBondContact O-N 2.88Å; D363-K366 PolarHBondContact O-N 2.87Å; D363-K366 VanDerWaalsContact O-N 3.14Å; D363-K366 IonicContact OD1-NZ 3.58Å; D363-K366 PolarHBondContact OD1-NZ 2.71Å
364L71.9Confident88.6Confident134 Ų13450.1 Ų50.170%0.70227%0.265SS*.G310 helixtrans-60.6-24.5171.3-174.463.5000113.1A362A362-L364 PolarHBondContact O-N 3.17Å; A362-L364 VanDerWaalsContact O-N 3.16Å
365F80.1Confident88.7Confident103 Ų10346.8 Ų46.845%0.45225%0.249SC..G310 helixtrans-106.721.2178.8-54.1-68.1000112.5F256 T361 A362 D363F256-F365 WeakPolarHBondContact CB-O 3.47Å; T361-F365 HydrophobicContact CG2-CB 3.81Å; A362-F365 HydrophobicContact CB-CD2 4.22Å; A362-F365 PolarHBondContact O-N 2.94Å; D363-F365 PolarHBondContact O-N 2.88Å
366K89.1Confident88.9Confident43 Ų4347.3 Ų47.319%0.18725%0.251CS..SBendtrans-112.3163.3172.1-66.8179.7-169.9145.80110.5T361 D363 P368T361-K366 HydrophobicContact CG2-CG 4.32Å; T361-K366 WeakPolarHBondContact O-CE 2.94Å; T361-K366 PolarHBondContact O-NZ 3.26Å; D363-K366 PolarHBondContact O-N 2.87Å; D363-K366 VanDerWaalsContact O-N 3.14Å; D363-K366 IonicContact OD1-NZ 3.58Å; D363-K366 PolarHBondContact OD1-NZ 2.71Å; K366-P368 WeakPolarHBondContact O-CD 3.45Å
367F95.1Very high89.2Confident8 Ų846.6 Ų46.64%0.03525%0.247CC..  trans-69.3122.2171.8-169.7-79.7000110V222 P235 V237 F256 T259 L341 N369 F370 V373V222-F367 HydrophobicContact CG2-CE1 4.4Å; V222-F367 HydrophobicContact CG2-CZ 3.82Å; P235-F367 HydrophobicContact CB-CE1 3.83Å; P235-F367 HydrophobicContact CB-CZ 3.97Å; P235-F367 HydrophobicContact CG-CE1 3.98Å; P235-F367 HydrophobicContact CG-CZ 4.49Å; V237-F367 HydrophobicContact CG2-CD2 4.48Å; V237-F367 HydrophobicContact CG2-CE2 3.75Å; V237-F367 HydrophobicContact CG2-CZ 4.23Å; F256-F367 HydrophobicContact CD2-CB 3.89Å; F256-F367 AromaticContact CD2-CD2 3.81Å; F256-F367 HydrophobicContact CD2-CD2 3.81Å; F256-F367 HydrophobicContact CD2-CG 4.3Å; F256-F367 AromaticContact CE2-CD2 3.86Å; F256-F367 HydrophobicContact CE2-CD2 3.86Å; T259-F367 HydrophobicContact CG2-CD2 3.55Å; T259-F367 HydrophobicContact CG2-CE2 3.71Å; L341-F367 HydrophobicContact CD1-CD1 3.92Å; L341-F367 HydrophobicContact CD1-CD2 3.93Å; L341-F367 HydrophobicContact CD1-CE1 3.69Å; L341-F367 HydrophobicContact CD1-CE2 3.69Å; L341-F367 HydrophobicContact CD1-CG 4.05Å; L341-F367 HydrophobicContact CD1-CZ 3.58Å; L341-F367 HydrophobicContact CD2-CD2 4.48Å; L341-F367 HydrophobicContact CG-CD2 4.08Å; L341-F367 HydrophobicContact CG-CE2 3.74Å; L341-F367 HydrophobicContact CG-CZ 4.05Å; F367-N369 PolarHBondContact O-N 2.95Å; F367-F370 HydrophobicContact CB-CB 4.2Å; F367-F370 HydrophobicContact CB-CD2 3.88Å; F367-F370 HydrophobicContact CB-CG 4.49Å; F367-F370 HydrophobicContact CD1-CB 4.08Å; F367-F370 HydrophobicContact CD1-CD2 4.05Å; F367-F370 HydrophobicContact CG-CD2 4.05Å; F367-V373 HydrophobicContact CD1-CG1 4.49Å; F367-V373 HydrophobicContact CE1-CG1 3.94Å
368P94.1Very high89.7Confident58 Ų5843.5 Ų43.538%0.37723%0.234SC..THydrogen-bonded Turntrans-62.1132.7-179.5-22.733.6000112P235 V237 K366 F370P235-P368 HydrophobicContact CB-CB 4.16Å; P235-P368 HydrophobicContact CG-CB 4.4Å; P235-P368 WeakPolarHBondContact CG-O 3.24Å; V237-P368 HydrophobicContact CG1-CG 4.33Å; K366-P368 WeakPolarHBondContact O-CD 3.45Å; P368-F370 VanDerWaalsContact C-N 3.3Å; P368-F370 PolarHBondContact O-N 2.88Å
369N95.3Very high90Very high44 Ų4441.6 Ų41.624%0.23523%0.229CC..THydrogen-bonded Turntrans53.143177.3-52.7-39000113.4W226 E233 P235 F367 T372 V373W226-N369 HydrophobicContact CH2-CB 3.65Å; W226-N369 HydrophobicContact CZ3-CB 4.26Å; E233-N369 PolarHBondContact O-ND2 2.93Å; P235-N369 HydrophobicContact CG-CB 4.43Å; F367-N369 PolarHBondContact O-N 2.95Å; N369-T372 WeakPolarHBondContact O-CB 3.43Å; N369-T372 PolarHBondContact O-N 2.74Å; N369-V373 PolarHBondContact O-N 3.24Å
370F97.1Very high90.6Very high3 Ų343 Ų431%0.01323%0.234CC..Hα-helixtrans-61.4-42.8-174.6-178.7-94.9000113.6G257 L341 Q349 L350 Y353 F367 P368 T372 V373 C374 E425G257-F370 WeakPolarHBondContact O-CE2 3.46Å; L341-F370 HydrophobicContact CD1-CD2 3.82Å; L341-F370 HydrophobicContact CD1-CE2 3.84Å; L341-F370 HydrophobicContact CD2-CE2 3.95Å; Q349-F370 HydrophobicContact CB-CZ 4.47Å; L350-F370 HydrophobicContact CD2-CE1 4.17Å; L350-F370 HydrophobicContact CD2-CZ 4.46Å; Y353-F370 AromaticContact CD1-CD1 3.87Å; Y353-F370 HydrophobicContact CD1-CD1 3.87Å; Y353-F370 AromaticContact CD1-CE1 3.73Å; Y353-F370 HydrophobicContact CD1-CE1 3.73Å; Y353-F370 HydrophobicContact CD2-CB 4.18Å; Y353-F370 AromaticContact CD2-CD1 3.34Å; Y353-F370 HydrophobicContact CD2-CD1 3.34Å; Y353-F370 HydrophobicContact CD2-CD2 4.45Å; Y353-F370 AromaticContact CD2-CE1 3.74Å; Y353-F370 HydrophobicContact CD2-CE1 3.74Å; Y353-F370 AromaticContact CD2-CG 3.74Å; Y353-F370 HydrophobicContact CD2-CG 3.74Å; Y353-F370 HydrophobicContact CD2-CZ 4.43Å; Y353-F370 HydrophobicContact CE1-CD1 4.12Å; Y353-F370 HydrophobicContact CE1-CE1 4.38Å; Y353-F370 HydrophobicContact CE2-CB 4.03Å; Y353-F370 AromaticContact CE2-CD1 3.63Å; Y353-F370 HydrophobicContact CE2-CD1 3.63Å; Y353-F370 HydrophobicContact CE2-CE1 4.39Å; Y353-F370 HydrophobicContact CE2-CG 4.03Å; Y353-F370 AromaticContact CG-CD1 3.48Å; Y353-F370 HydrophobicContact CG-CD1 3.48Å; Y353-F370 VanDerWaalsContact CG-CD1 3.48Å; Y353-F370 AromaticContact CG-CE1 3.37Å; Y353-F370 HydrophobicContact CG-CE1 3.37Å; Y353-F370 HydrophobicContact CG-CG 4.26Å; Y353-F370 HydrophobicContact CG-CZ 4.08Å; F367-F370 HydrophobicContact CB-CB 4.2Å; F367-F370 HydrophobicContact CB-CD2 3.88Å; F367-F370 HydrophobicContact CB-CG 4.49Å; F367-F370 HydrophobicContact CD1-CB 4.08Å; F367-F370 HydrophobicContact CD1-CD2 4.05Å; F367-F370 HydrophobicContact CG-CD2 4.05Å; P368-F370 VanDerWaalsContact C-N 3.3Å; P368-F370 PolarHBondContact O-N 2.88Å; F370-T372 VanDerWaalsContact C-N 3.34Å; F370-V373 VanDerWaalsContact O-CG1 3.22Å; F370-V373 WeakPolarHBondContact O-CG1 3.45Å; F370-C374 WeakPolarHBondContact O-CB 3.43Å; F370-C374 PolarHBondContact O-N 3.27Å; F370-C374 VanDerWaalsContact O-N 3.09Å; F370-C374 PolarHBondContact O-SG 3.02Å; F370-E425 PolarHBondContact N-OE2 3.27Å
371E96.8Very high91.3Very high1 Ų138.1 Ų38.11%0.00520%0.2CC..Hα-helixtrans-72.7-34.8178-58.1-165.6-178.800110.2Y353 K357 C374 W375 W413 H422 E425Y353-E371 HydrophobicContact CE1-CG 4.21Å; Y353-E371 PolarHBondContact OH-OE1 3.07Å; K357-E371 IonicContact NZ-OE1 2.67Å; E371-C374 CarbonylContact O-C 3.59Å; E371-C374 WeakPolarHBondContact O-CA 3.46Å; E371-C374 VanDerWaalsContact O-CB 3.29Å; E371-C374 WeakPolarHBondContact O-CB 3.15Å; E371-C374 PolarHBondContact O-N 3.02Å; E371-C374 VanDerWaalsContact O-N 3.15Å; E371-W375 PolarHBondContact O-N 3.41Å; E371-W413 HydrophobicContact CB-CE3 4.21Å; E371-W413 HydrophobicContact CB-CH2 4.17Å; E371-W413 HydrophobicContact CB-CZ3 3.82Å; E371-W413 HydrophobicContact CG-CD2 4.35Å; E371-W413 HydrophobicContact CG-CE3 4.11Å; E371-W413 HydrophobicContact CG-CH2 3.77Å; E371-W413 HydrophobicContact CG-CZ2 4Å; E371-W413 HydrophobicContact CG-CZ3 3.83Å; E371-H422 IonicContact OE1-CE1 2.67Å; E371-H422 PolarHBondContact OE1-CE1 3.4Å; E371-H422 IonicContact OE1-ND1 3.81Å; E371-H422 PolarHBondContact OE1-ND1 3.34Å; E371-H422 IonicContact OE2-CE1 2.62Å; E371-H422 IonicContact OE2-CG 2.75Å; E371-H422 IonicContact OE2-ND1 3.13Å; E371-H422 PolarHBondContact OE2-ND1 2.85Å; E371-E425 WeakPolarHBondContact CA-OE2 3.47Å; E371-E425 HydrophobicContact CB-CB 3.93Å; E371-E425 HydrophobicContact CB-CG 4.49Å; E371-E425 WeakPolarHBondContact CB-OE2 3.4Å; E371-E425 PolarHBondContact N-OE2 2.88Å
372T96.9Very high92.2Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-57.2-49.6174.3-46.50000112.2W226 F232 N369 F370 C374 W375 Y376 E425 P427W226-T372 HydrophobicContact CH2-CG2 3.8Å; W226-T372 HydrophobicContact CZ3-CG2 4.17Å; F232-T372 HydrophobicContact CB-CG2 4.15Å; F232-T372 HydrophobicContact CD1-CG2 4.19Å; F232-T372 HydrophobicContact CD2-CG2 3.57Å; F232-T372 HydrophobicContact CE2-CG2 3.97Å; F232-T372 HydrophobicContact CG-CG2 3.7Å; F232-T372 HydrophobicContact CZ-CG2 4.43Å; N369-T372 WeakPolarHBondContact O-CB 3.43Å; N369-T372 PolarHBondContact O-N 2.74Å; F370-T372 VanDerWaalsContact C-N 3.34Å; T372-C374 VanDerWaalsContact C-N 3.34Å; T372-C374 PolarHBondContact O-N 3.27Å; T372-W375 PolarHBondContact O-N 3.39Å; T372-Y376 HydrophobicContact CG2-CD2 4.46Å; T372-Y376 HydrophobicContact CG2-CE2 3.86Å; T372-Y376 VanDerWaalsContact O-CD2 3.28Å; T372-Y376 WeakPolarHBondContact O-CD2 3.43Å; T372-Y376 PolarHBondContact O-N 3.11Å; T372-E425 VanDerWaalsContact CA-O 3.28Å; T372-E425 WeakPolarHBondContact CA-O 3.25Å; T372-E425 WeakPolarHBondContact CB-O 3.22Å; T372-E425 PolarHBondContact N-OE2 3.44Å; T372-E425 PolarHBondContact OG1-O 3.3Å; T372-P427 HydrophobicContact CG2-CG 3.8Å
373V97.3Very high93.3Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-65.8-37.7174.964.80000111.4W221 V222 W226 L341 F367 N369 F370 W375 Y376 V377W221-V373 HydrophobicContact CB-CG2 3.67Å; W221-V373 HydrophobicContact CE3-CG1 4.27Å; W221-V373 HydrophobicContact CE3-CG2 4.04Å; V222-V373 HydrophobicContact CG2-CG2 4.45Å; W226-V373 HydrophobicContact CE3-CB 4.12Å; W226-V373 HydrophobicContact CE3-CG2 4.42Å; W226-V373 HydrophobicContact CZ3-CB 3.92Å; L341-V373 HydrophobicContact CD1-CG1 3.83Å; F367-V373 HydrophobicContact CD1-CG1 4.49Å; F367-V373 HydrophobicContact CE1-CG1 3.94Å; N369-V373 PolarHBondContact O-N 3.24Å; F370-V373 VanDerWaalsContact O-CG1 3.22Å; F370-V373 WeakPolarHBondContact O-CG1 3.45Å; V373-W375 VanDerWaalsContact C-N 3.32Å; V373-W375 PolarHBondContact O-N 3.18Å; V373-Y376 PolarHBondContact O-N 3.33Å; V373-V377 HydrophobicContact CG2-CG2 4.34Å; V373-V377 WeakPolarHBondContact O-CG2 3.46Å; V373-V377 PolarHBondContact O-N 3.38Å
374C98.1Very high94.4Very high0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-57.4-41.7172.9-76.70000112.3F370 E371 T372 V377 G378 L406 F410 W413F370-C374 WeakPolarHBondContact O-CB 3.43Å; F370-C374 PolarHBondContact O-N 3.27Å; F370-C374 VanDerWaalsContact O-N 3.09Å; F370-C374 PolarHBondContact O-SG 3.02Å; E371-C374 CarbonylContact O-C 3.59Å; E371-C374 WeakPolarHBondContact O-CA 3.46Å; E371-C374 VanDerWaalsContact O-CB 3.29Å; E371-C374 WeakPolarHBondContact O-CB 3.15Å; E371-C374 PolarHBondContact O-N 3.02Å; E371-C374 VanDerWaalsContact O-N 3.15Å; T372-C374 VanDerWaalsContact C-N 3.34Å; T372-C374 PolarHBondContact O-N 3.27Å; C374-V377 PolarHBondContact O-N 3.24Å; C374-G378 PolarHBondContact O-N 3.14Å; C374-L406 HydrophobicContact CB-CD1 3.81Å; C374-F410 HydrophobicContact CB-CE1 4.38Å; C374-F410 WeakPolarHBondContact O-CZ 3.33Å; C374-W413 HydrophobicContact CB-CH2 4Å; C374-W413 HydrophobicContact CB-CZ3 4.03Å
375W97.8Very high95.6Very high1 Ų128 Ų280%0.00414%0.137CC..Hα-helixtrans-62.7-44.5176.3-74.3114.5000112.7E371 T372 V373 V377 G378 K379 F410 W413 T414 I426 P427 I430 I432 L435 I436E371-W375 PolarHBondContact O-N 3.41Å; T372-W375 PolarHBondContact O-N 3.39Å; V373-W375 VanDerWaalsContact C-N 3.32Å; V373-W375 PolarHBondContact O-N 3.18Å; W375-V377 PolarHBondContact O-N 2.94Å; W375-G378 PolarHBondContact O-N 3.16Å; W375-K379 PolarHBondContact O-N 2.67Å; W375-K379 VanDerWaalsContact O-N 3.13Å; W375-F410 AromaticContact CD2-CD1 3.88Å; W375-F410 HydrophobicContact CD2-CD1 3.88Å; W375-F410 AromaticContact CD2-CE1 3.65Å; W375-F410 HydrophobicContact CD2-CE1 3.65Å; W375-F410 HydrophobicContact CD2-CZ 4.27Å; W375-F410 AromaticContact CE2-CD1 3.94Å; W375-F410 AromaticContact CE3-CD1 3.64Å; W375-F410 HydrophobicContact CE3-CD1 3.64Å; W375-F410 HydrophobicContact CE3-CD2 4.25Å; W375-F410 AromaticContact CE3-CE1 3.51Å; W375-F410 HydrophobicContact CE3-CE1 3.51Å; W375-F410 HydrophobicContact CE3-CE2 4.14Å; W375-F410 HydrophobicContact CE3-CG 4.03Å; W375-F410 AromaticContact CE3-CZ 3.77Å; W375-F410 HydrophobicContact CE3-CZ 3.77Å; W375-F410 HydrophobicContact CG-CE1 4.18Å; W375-F410 HydrophobicContact CH2-CB 3.64Å; W375-F410 AromaticContact CH2-CD1 3.57Å; W375-F410 HydrophobicContact CH2-CD1 3.57Å; W375-F410 HydrophobicContact CH2-CD2 4.42Å; W375-F410 HydrophobicContact CH2-CE1 4.3Å; W375-F410 AromaticContact CH2-CG 3.64Å; W375-F410 HydrophobicContact CH2-CG 3.64Å; W375-F410 HydrophobicContact CZ2-CB 4.42Å; W375-F410 AromaticContact CZ2-CD1 3.8Å; W375-F410 HydrophobicContact CZ2-CD1 3.8Å; W375-F410 HydrophobicContact CZ2-CE1 4.42Å; W375-F410 HydrophobicContact CZ2-CG 4.33Å; W375-F410 HydrophobicContact CZ3-CB 3.89Å; W375-F410 AromaticContact CZ3-CD1 3.49Å; W375-F410 HydrophobicContact CZ3-CD1 3.49Å; W375-F410 VanDerWaalsContact CZ3-CD1 3.49Å; W375-F410 AromaticContact CZ3-CD2 3.83Å; W375-F410 HydrophobicContact CZ3-CD2 3.83Å; W375-F410 AromaticContact CZ3-CE1 3.86Å; W375-F410 HydrophobicContact CZ3-CE1 3.86Å; W375-F410 HydrophobicContact CZ3-CE2 4.17Å; W375-F410 AromaticContact CZ3-CG 3.47Å; W375-F410 HydrophobicContact CZ3-CG 3.47Å; W375-F410 VanDerWaalsContact CZ3-CG 3.47Å; W375-F410 HydrophobicContact CZ3-CZ 4.18Å; W375-W413 HydrophobicContact CZ2-CE3 4.33Å; W375-T414 HydrophobicContact CH2-CG2 3.65Å; W375-T414 HydrophobicContact CZ2-CG2 3.86Å; W375-I426 HydrophobicContact CD2-CG2 4.31Å; W375-I426 HydrophobicContact CG-CG2 4.48Å; W375-I426 HydrophobicContact CZ2-CD1 4.11Å; W375-I426 HydrophobicContact CZ2-CG1 4.33Å; W375-P427 HydrophobicContact CB-CG 4.17Å; W375-I430 HydrophobicContact CB-CD1 3.79Å; W375-I430 HydrophobicContact CE3-CG2 4.28Å; W375-I432 HydrophobicContact CH2-CG2 4.05Å; W375-I432 HydrophobicContact CZ3-CG2 4.43Å; W375-L435 HydrophobicContact CE3-CD2 3.97Å; W375-L435 HydrophobicContact CZ3-CD2 4.27Å; W375-I436 HydrophobicContact CH2-CD1 4.29Å
376Y97.5Very high96.4Very high20 Ų2026.4 Ų26.48%0.07813%0.128CC..Hα-helixtrans-61.9-41.7174.4-67.1-54.1000112.1W226 P227 T372 V373 G378 K379 H380 P427 I430W226-Y376 HydrophobicContact CE3-CD2 4.29Å; W226-Y376 HydrophobicContact CE3-CE2 4.35Å; W226-Y376 HydrophobicContact CZ3-CD2 4.49Å; W226-Y376 HydrophobicContact CZ3-CE2 4.4Å; P227-Y376 HydrophobicContact CG-CD1 4.1Å; P227-Y376 HydrophobicContact CG-CE1 3.6Å; P227-Y376 HydrophobicContact CG-CE2 4.24Å; T372-Y376 HydrophobicContact CG2-CD2 4.46Å; T372-Y376 HydrophobicContact CG2-CE2 3.86Å; T372-Y376 VanDerWaalsContact O-CD2 3.28Å; T372-Y376 WeakPolarHBondContact O-CD2 3.43Å; T372-Y376 PolarHBondContact O-N 3.11Å; V373-Y376 PolarHBondContact O-N 3.33Å; Y376-G378 PolarHBondContact O-N 2.87Å; Y376-K379 PolarHBondContact O-N 3.2Å; Y376-H380 PolarHBondContact O-N 3.33Å; Y376-P427 HydrophobicContact CD1-CG 4.3Å; Y376-P427 HydrophobicContact CD2-CG 4.45Å; Y376-P427 HydrophobicContact CE1-CB 3.78Å; Y376-P427 HydrophobicContact CE1-CG 3.75Å; Y376-P427 HydrophobicContact CE2-CG 3.93Å; Y376-I430 HydrophobicContact CD1-CD1 3.98Å; Y376-I430 HydrophobicContact CE1-CD1 4.33Å
377V97.8Very high96.7Very high0 Ų025.5 Ų25.50%013%0.131CC..Hα-helixtrans-61.4-42.7174.3173.20000111.5W221 L225 V373 C374 W375 K379 H380 L381 L406W221-V377 HydrophobicContact CB-CG2 4.01Å; W221-V377 HydrophobicContact CD2-CB 4.42Å; W221-V377 HydrophobicContact CD2-CG1 4.42Å; W221-V377 HydrophobicContact CD2-CG2 3.29Å; W221-V377 HydrophobicContact CE3-CG2 3.61Å; W221-V377 HydrophobicContact CG-CG2 3.51Å; W221-V377 HydrophobicContact CH2-CG1 4.23Å; W221-V377 HydrophobicContact CH2-CG2 4.3Å; W221-V377 HydrophobicContact CZ2-CB 4.4Å; W221-V377 HydrophobicContact CZ2-CG1 3.71Å; W221-V377 HydrophobicContact CZ2-CG2 4.07Å; W221-V377 HydrophobicContact CZ3-CG2 4.1Å; L225-V377 HydrophobicContact CD1-CB 4.37Å; L225-V377 HydrophobicContact CD1-CG2 3.61Å; V373-V377 HydrophobicContact CG2-CG2 4.34Å; V373-V377 WeakPolarHBondContact O-CG2 3.46Å; V373-V377 PolarHBondContact O-N 3.38Å; C374-V377 PolarHBondContact O-N 3.24Å; W375-V377 PolarHBondContact O-N 2.94Å; V377-K379 VanDerWaalsContact C-N 3.33Å; V377-K379 PolarHBondContact O-N 2.78Å; V377-H380 PolarHBondContact O-N 3.2Å; V377-L381 HydrophobicContact CG1-CD1 3.75Å; V377-L381 HydrophobicContact CG1-CG 4.16Å; V377-L381 WeakPolarHBondContact O-CB 3.37Å; V377-L381 WeakPolarHBondContact O-CG 3.35Å; V377-L381 PolarHBondContact O-N 3.12Å; V377-L406 HydrophobicContact CB-CD2 4.36Å; V377-L406 HydrophobicContact CG1-CD2 3.9Å
378G97.5Very high96.7Very high0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-60.1-41.7177.700000112.9C374 W375 Y376 L382C374-G378 PolarHBondContact O-N 3.14Å; W375-G378 PolarHBondContact O-N 3.16Å; Y376-G378 PolarHBondContact O-N 2.87Å; G378-L382 PolarHBondContact O-N 3.27Å
379K96.9Very high96.7Very high88 Ų8828.8 Ų28.838%0.38314%0.139SC..Hα-helixtrans-63.4-48.9173.2-178.8-178.2176.6-178.80111.3W375 Y376 V377 L381 L382 D383 I430W375-K379 PolarHBondContact O-N 2.67Å; W375-K379 VanDerWaalsContact O-N 3.13Å; Y376-K379 PolarHBondContact O-N 3.2Å; V377-K379 VanDerWaalsContact C-N 3.33Å; V377-K379 PolarHBondContact O-N 2.78Å; K379-L381 PolarHBondContact O-N 3.11Å; K379-L382 WeakPolarHBondContact O-CB 3.44Å; K379-L382 PolarHBondContact O-N 2.95Å; K379-D383 PolarHBondContact O-N 3.47Å; K379-I430 HydrophobicContact CD-CD1 4.46Å; K379-I430 HydrophobicContact CD-CG1 4.25Å
380H96.9Very high96.6Very high76 Ų7633 Ų3335%0.35216%0.157SC..Hα-helixtrans-61.5-41.4179178.6-129000113.1L225 Y376 V377 L382 D383 I384L225-H380 HydrophobicContact CD1-CB 4.36Å; L225-H380 HydrophobicContact CD2-CB 3.99Å; L225-H380 VanDerWaalsContact CD2-CG 3.48Å; L225-H380 VanDerWaalsContact CD2-ND1 3.25Å; L225-H380 WeakPolarHBondContact CD2-ND1 3.38Å; Y376-H380 PolarHBondContact O-N 3.33Å; V377-H380 PolarHBondContact O-N 3.2Å; H380-L382 VanDerWaalsContact C-N 3.34Å; H380-L382 PolarHBondContact O-N 3.24Å; H380-D383 PolarHBondContact O-N 3.14Å; H380-I384 WeakPolarHBondContact CE1-CD1 3.49Å; H380-I384 WeakPolarHBondContact O-CG1 3.32Å; H380-I384 PolarHBondContact O-N 2.96Å
381L97Very high96.5Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-64.2-36.8176-72.6171.8000112.4I346 V377 K379 D383 I384 F385 L399 A403 L406I346-L381 HydrophobicContact CD1-CD1 3.82Å; V377-L381 HydrophobicContact CG1-CD1 3.75Å; V377-L381 HydrophobicContact CG1-CG 4.16Å; V377-L381 WeakPolarHBondContact O-CB 3.37Å; V377-L381 WeakPolarHBondContact O-CG 3.35Å; V377-L381 PolarHBondContact O-N 3.12Å; K379-L381 PolarHBondContact O-N 3.11Å; L381-D383 VanDerWaalsContact C-N 3.35Å; L381-I384 PolarHBondContact O-N 2.86Å; L381-F385 HydrophobicContact CD2-CE1 4.49Å; L381-F385 WeakPolarHBondContact O-CB 3.31Å; L381-F385 WeakPolarHBondContact O-CD1 3.17Å; L381-F385 WeakPolarHBondContact O-CG 3.21Å; L381-F385 PolarHBondContact O-N 3.26Å; L381-L399 HydrophobicContact CD2-CD2 4.11Å; L381-A403 HydrophobicContact CD1-CB 4.19Å; L381-L406 HydrophobicContact CD1-CD2 3.97Å
382L97.3Very high96.3Very high9 Ų949.2 Ų49.25%0.04723%0.227CC..Hα-helixtrans-60.4-45.2172.9172.258.4000111.3G378 K379 H380 F385 R386 L435 D438 L439 E442G378-L382 PolarHBondContact O-N 3.27Å; K379-L382 WeakPolarHBondContact O-CB 3.44Å; K379-L382 PolarHBondContact O-N 2.95Å; H380-L382 VanDerWaalsContact C-N 3.34Å; H380-L382 PolarHBondContact O-N 3.24Å; L382-F385 PolarHBondContact O-N 3.16Å; L382-R386 HydrophobicContact CD1-CG 4.31Å; L382-R386 WeakPolarHBondContact O-CG 3.42Å; L382-R386 PolarHBondContact O-N 2.75Å; L382-L435 HydrophobicContact CB-CD1 4.18Å; L382-L435 HydrophobicContact CD2-CD1 3.77Å; L382-D438 HydrophobicContact CD1-CB 3.93Å; L382-D438 HydrophobicContact CD2-CB 3.73Å; L382-L439 HydrophobicContact CB-CD1 4.24Å; L382-E442 HydrophobicContact CD1-CB 4.46Å; L382-E442 HydrophobicContact CD1-CG 3.57Å
383D96.7Very high96.1Very high81 Ų8157.5 Ų57.543%0.43326%0.258SS..Hα-helixtrans-71.7-36.1-178.9-65.8-30.8000112.1K379 H380 L381 R386 G387K379-D383 PolarHBondContact O-N 3.47Å; H380-D383 PolarHBondContact O-N 3.14Å; L381-D383 VanDerWaalsContact C-N 3.35Å; D383-R386 PolarHBondContact O-N 3.23Å; D383-R386 IonicContact OD1-NH1 2.88Å; D383-G387 PolarHBondContact O-N 3.49Å
384I96.2Very high95.7Very high52 Ų5261.8 Ų61.827%0.26728%0.278SS..Hα-helixtrans-57.6-48.9167.8-74173000111H380 L381 R386 G387 L388H380-I384 WeakPolarHBondContact CE1-CD1 3.49Å; H380-I384 WeakPolarHBondContact O-CG1 3.32Å; H380-I384 PolarHBondContact O-N 2.96Å; L381-I384 PolarHBondContact O-N 2.86Å; I384-R386 VanDerWaalsContact C-N 3.32Å; I384-R386 PolarHBondContact O-N 2.9Å; I384-G387 PolarHBondContact O-N 2.67Å; I384-L388 HydrophobicContact CG2-CD1 3.65Å; I384-L388 HydrophobicContact CG2-CG 4.2Å; I384-L388 WeakPolarHBondContact O-CB 3.4Å; I384-L388 WeakPolarHBondContact O-CG 3.37Å; I384-L388 PolarHBondContact O-N 2.96Å
385F96.7Very high95.4Very high2 Ų262 Ų621%0.00928%0.28CS..Hα-helixtrans-65.9-38.3-175.1-80.737.2000111.1L381 L382 R389 P395 L399 V400 A403 E442 I443 V446L381-F385 HydrophobicContact CD2-CE1 4.49Å; L381-F385 WeakPolarHBondContact O-CB 3.31Å; L381-F385 WeakPolarHBondContact O-CD1 3.17Å; L381-F385 WeakPolarHBondContact O-CG 3.21Å; L381-F385 PolarHBondContact O-N 3.26Å; L382-F385 PolarHBondContact O-N 3.16Å; F385-R389 VanDerWaalsContact O-CB 3.3Å; F385-R389 WeakPolarHBondContact O-CB 3.44Å; F385-R389 PolarHBondContact O-N 3.05Å; F385-R389 VanDerWaalsContact O-N 3.07Å; F385-P395 HydrophobicContact CD1-CB 4.2Å; F385-P395 HydrophobicContact CD1-CG 4.28Å; F385-P395 HydrophobicContact CD2-CG 4.33Å; F385-P395 HydrophobicContact CE1-CB 3.88Å; F385-P395 HydrophobicContact CE1-CG 4.09Å; F385-P395 HydrophobicContact CE2-CG 4.14Å; F385-P395 HydrophobicContact CG-CG 4.4Å; F385-P395 HydrophobicContact CZ-CB 4.19Å; F385-P395 HydrophobicContact CZ-CG 4.03Å; F385-L399 HydrophobicContact CE1-CB 4.17Å; F385-L399 HydrophobicContact CZ-CB 4.37Å; F385-V400 HydrophobicContact CE2-CG2 4.33Å; F385-V400 HydrophobicContact CZ-CG2 4.2Å; F385-A403 HydrophobicContact CE1-CB 4.47Å; F385-A403 HydrophobicContact CE2-CB 4.19Å; F385-A403 HydrophobicContact CZ-CB 3.76Å; F385-E442 HydrophobicContact CB-CB 3.99Å; F385-E442 HydrophobicContact CB-CG 4.42Å; F385-E442 HydrophobicContact CD2-CB 4.13Å; F385-I443 HydrophobicContact CD2-CG1 4.5Å; F385-I443 HydrophobicContact CE2-CG1 3.95Å; F385-V446 HydrophobicContact CD2-CG2 4.38Å
386R96.2Very high95.1Very high68 Ų6863.7 Ų63.726%0.25729%0.294SS..Hα-helixtrans-61.6-55171.9-73.7171.9167.5171.4-4.6111.8L382 D383 I384 L388 R389 E390 D438 E442L382-R386 HydrophobicContact CD1-CG 4.31Å; L382-R386 WeakPolarHBondContact O-CG 3.42Å; L382-R386 PolarHBondContact O-N 2.75Å; D383-R386 PolarHBondContact O-N 3.23Å; D383-R386 IonicContact OD1-NH1 2.88Å; I384-R386 VanDerWaalsContact C-N 3.32Å; I384-R386 PolarHBondContact O-N 2.9Å; R386-L388 VanDerWaalsContact C-N 3.35Å; R386-L388 PolarHBondContact O-N 2.93Å; R386-R389 PolarHBondContact O-N 3.03Å; R386-E390 WeakPolarHBondContact O-CB 3.42Å; R386-E390 WeakPolarHBondContact O-CG 3.45Å; R386-E390 PolarHBondContact O-N 3.14Å; R386-D438 IonicContact CZ-OD2 3.78Å; R386-D438 IonicContact NH2-OD1 2.71Å; R386-D438 IonicContact NH2-OD2 3.58Å; R386-D438 PolarHBondContact NH2-OD2 3.24Å; R386-E442 HydrophobicContact CG-CG 4.25Å; R386-E442 IonicContact NE-OE1 2.74Å
387G96.4Very high94.9Very high25 Ų2566.2 Ų66.226%0.25831%0.314SS..Hα-helixtrans-60.5-40.1-178.800000113.2D383 I384 N391D383-G387 PolarHBondContact O-N 3.49Å; I384-G387 PolarHBondContact O-N 2.67Å; G387-N391 WeakPolarHBondContact O-CB 3.36Å; G387-N391 PolarHBondContact O-N 3.45Å; G387-N391 PolarHBondContact O-ND2 3.37Å
388L94.6Very high94.7Very high45 Ų4568.3 Ų68.324%0.23632%0.322CS..Hα-helixtrans-64.9-46.9174.4-72.6174.7000111.6I384 R386 E390 N391 R392 R393 P395I384-L388 HydrophobicContact CG2-CD1 3.65Å; I384-L388 HydrophobicContact CG2-CG 4.2Å; I384-L388 WeakPolarHBondContact O-CB 3.4Å; I384-L388 WeakPolarHBondContact O-CG 3.37Å; I384-L388 PolarHBondContact O-N 2.96Å; R386-L388 VanDerWaalsContact C-N 3.35Å; R386-L388 PolarHBondContact O-N 2.93Å; L388-E390 VanDerWaalsContact C-N 3.34Å; L388-E390 PolarHBondContact O-N 2.68Å; L388-N391 CarbonylContact O-C 3.52Å; L388-N391 PolarHBondContact O-N 2.6Å; L388-R392 PolarHBondContact O-N 2.89Å; L388-R393 CarbonylContact C-O 3.41Å; L388-R393 HydrophobicContact CB-CB 4.34Å; L388-R393 HydrophobicContact CD2-CB 3.92Å; L388-R393 PolarHBondContact O-N 3.17Å; L388-P395 HydrophobicContact CD1-CB 3.82Å
389R93.2Very high94.6Very high89 Ų8969.3 Ų69.334%0.33633%0.327SS..Hα-helixtrans-60.7-42.4177.9-179.8-168.163.7-163.4-15.7112F385 R386 N391 R392 E442F385-R389 VanDerWaalsContact O-CB 3.3Å; F385-R389 WeakPolarHBondContact O-CB 3.44Å; F385-R389 PolarHBondContact O-N 3.05Å; F385-R389 VanDerWaalsContact O-N 3.07Å; R386-R389 PolarHBondContact O-N 3.03Å; R389-N391 VanDerWaalsContact C-N 3.34Å; R389-R392 WeakPolarHBondContact O-CA 3.48Å; R389-R392 PolarHBondContact O-N 3.31Å; R389-E442 IonicContact CZ-OE1 2.98Å; R389-E442 VanDerWaalsContact CZ-OE1 3.26Å; R389-E442 IonicContact CZ-OE2 3.69Å; R389-E442 IonicContact NE-OE2 3.5Å; R389-E442 IonicContact NH1-OE1 2.73Å; R389-E442 PolarHBondContact NH1-OE1 3.2Å; R389-E442 IonicContact NH1-OE2 3.59Å; R389-E442 PolarHBondContact NH1-OE2 2.72Å; R389-E442 IonicContact NH2-OE1 3.33Å; R389-E442 PolarHBondContact NH2-OE1 3.02Å; R389-E442 VanDerWaalsContact NH2-OE1 3.12Å; R389-E442 IonicContact NH2-OE2 2.75Å
390E94.6Very high94.5Very high133 Ų13365.5 Ų65.562%0.62131%0.312SS*.Hα-helixtrans-63.8-40.3177.3-75.6157.5-149.500111.4R386 L388 R392R386-E390 WeakPolarHBondContact O-CB 3.42Å; R386-E390 WeakPolarHBondContact O-CG 3.45Å; R386-E390 PolarHBondContact O-N 3.14Å; L388-E390 VanDerWaalsContact C-N 3.34Å; L388-E390 PolarHBondContact O-N 2.68Å; E390-R392 PolarHBondContact O-N 3.25Å
391N94.9Very high94.4Very high119 Ų11967.7 Ų67.764%0.63632%0.322SS*.THydrogen-bonded Turntrans-76.38.4169.9-73.6-72.1000114.4G387 L388 R389 R393G387-N391 WeakPolarHBondContact O-CB 3.36Å; G387-N391 PolarHBondContact O-N 3.45Å; G387-N391 PolarHBondContact O-ND2 3.37Å; L388-N391 CarbonylContact O-C 3.52Å; L388-N391 PolarHBondContact O-N 2.6Å; R389-N391 VanDerWaalsContact C-N 3.34Å; N391-R393 PolarHBondContact O-N 3.15Å
392R91.1Very high94.4Very high226 Ų22667.9 Ų67.985%0.85332%0.324SS*.THydrogen-bonded Turntrans5627.8-178.8-53.4-175.9-179.5-164.2-0.4115L388 R389 E390L388-R392 PolarHBondContact O-N 2.89Å; R389-R392 WeakPolarHBondContact O-CA 3.48Å; R389-R392 PolarHBondContact O-N 3.31Å; E390-R392 PolarHBondContact O-N 3.25Å
393R92.5Very high94.4Very high174 Ų17467.5 Ų67.566%0.65732%0.322SS*.  trans-99170171-61.2-175.3-176.5-166.20.6110.1L388 N391L388-R393 CarbonylContact C-O 3.41Å; L388-R393 HydrophobicContact CB-CB 4.34Å; L388-R393 HydrophobicContact CD2-CB 3.92Å; L388-R393 PolarHBondContact O-N 3.17Å; N391-R393 PolarHBondContact O-N 3.15Å
394H89Confident94.5Very high89 Ų8967.8 Ų67.841%0.41232%0.319SS..  trans-122.4142.3173.8-53.8-37.3000108.7F450H394-F450 HydrophobicContact CB-CZ 4.48Å
395P92.9Very high94.5Very high6 Ų666 Ų664%0.03931%0.312CS..  trans-65.8153.9173.929.2-35.3000111F385 L388 L399 V400 V446F385-P395 HydrophobicContact CD1-CB 4.2Å; F385-P395 HydrophobicContact CD1-CG 4.28Å; F385-P395 HydrophobicContact CD2-CG 4.33Å; F385-P395 HydrophobicContact CE1-CB 3.88Å; F385-P395 HydrophobicContact CE1-CG 4.09Å; F385-P395 HydrophobicContact CE2-CG 4.14Å; F385-P395 HydrophobicContact CG-CG 4.4Å; F385-P395 HydrophobicContact CZ-CB 4.19Å; F385-P395 HydrophobicContact CZ-CG 4.03Å; L388-P395 HydrophobicContact CD1-CB 3.82Å; P395-L399 HydrophobicContact CB-CB 4.38Å; P395-L399 HydrophobicContact CB-CD1 4.3Å; P395-V400 HydrophobicContact CB-CG2 4.34Å; P395-V400 HydrophobicContact CG-CG2 3.7Å; P395-V446 HydrophobicContact CG-CG1 3.87Å; P395-V446 HydrophobicContact CG-CG2 4.04Å
396A91.9Very high94.6Very high36 Ų3665.9 Ų65.930%0.29831%0.312SS..  trans-59.7148.6173.200000111.3Y398 L399 V400A396-Y398 VanDerWaalsContact C-N 3.28Å; A396-Y398 HydrophobicContact CB-CD1 3.64Å; A396-Y398 HydrophobicContact CB-CE1 3.34Å; A396-Y398 PolarHBondContact O-N 2.86Å; A396-L399 HydrophobicContact CB-CD1 4.44Å; A396-L399 WeakPolarHBondContact O-CB 3.15Å; A396-L399 PolarHBondContact O-N 3.09Å; A396-L399 VanDerWaalsContact O-N 3.08Å; A396-V400 PolarHBondContact O-N 3.31Å
397S92.4Very high94.7Very high72 Ų7262.9 Ų62.950%0.50330%0.301SS..Hα-helixtrans-56.5-40.6-174.1-172.90000112.7L399 V400 H401S397-L399 VanDerWaalsContact C-N 3.33Å; S397-L399 PolarHBondContact O-N 3.13Å; S397-V400 PolarHBondContact O-N 3.47Å; S397-V400 VanDerWaalsContact O-N 3.15Å; S397-H401 PolarHBondContact O-N 3.21Å; S397-H401 VanDerWaalsContact O-N 3.14Å; S397-H401 PolarHBondContact O-ND1 3.21Å; S397-H401 PolarHBondContact OG-CE1 3.09Å
398Y93.7Very high94.8Very high45 Ų4565.9 Ų65.918%0.17631%0.311CS..Hα-helixtrans-62.5-38179.875.6-93.9000112.1E123 S343 L344 A396 V400 H401 G402E123-Y398 HydrophobicContact CB-CE1 4.37Å; E123-Y398 HydrophobicContact CG-CE1 3.89Å; E123-Y398 PolarHBondContact OE1-OH 3.5Å; S343-Y398 WeakPolarHBondContact O-CD2 3.21Å; S343-Y398 WeakPolarHBondContact O-CE2 3.45Å; L344-Y398 HydrophobicContact CD2-CD2 4.29Å; L344-Y398 HydrophobicContact CD2-CE1 4.44Å; L344-Y398 HydrophobicContact CD2-CE2 3.7Å; A396-Y398 VanDerWaalsContact C-N 3.28Å; A396-Y398 HydrophobicContact CB-CD1 3.64Å; A396-Y398 HydrophobicContact CB-CE1 3.34Å; A396-Y398 PolarHBondContact O-N 2.86Å; Y398-V400 VanDerWaalsContact C-N 3.32Å; Y398-V400 PolarHBondContact O-N 2.65Å; Y398-H401 PolarHBondContact O-N 3.03Å; Y398-G402 PolarHBondContact O-N 2.71Å
399L95Very high94.9Very high20 Ų2064.4 Ų64.411%0.10531%0.305CS..Hα-helixtrans-63.2-37.1175.3-66.8175.3000112.1L381 F385 P395 A396 S397 A403L381-L399 HydrophobicContact CD2-CD2 4.11Å; F385-L399 HydrophobicContact CE1-CB 4.17Å; F385-L399 HydrophobicContact CZ-CB 4.37Å; P395-L399 HydrophobicContact CB-CB 4.38Å; P395-L399 HydrophobicContact CB-CD1 4.3Å; A396-L399 HydrophobicContact CB-CD1 4.44Å; A396-L399 WeakPolarHBondContact O-CB 3.15Å; A396-L399 PolarHBondContact O-N 3.09Å; A396-L399 VanDerWaalsContact O-N 3.08Å; S397-L399 VanDerWaalsContact C-N 3.33Å; S397-L399 PolarHBondContact O-N 3.13Å; L399-A403 WeakPolarHBondContact O-CB 3.25Å; L399-A403 PolarHBondContact O-N 3.28Å
400V95.7Very high95.1Very high8 Ų860.2 Ų60.25%0.04829%0.289CS..Hα-helixtrans-67.8-43178.2-174.90000110.9F385 P395 A396 S397 Y398 K404 I443 V446 E447 F450F385-V400 HydrophobicContact CE2-CG2 4.33Å; F385-V400 HydrophobicContact CZ-CG2 4.2Å; P395-V400 HydrophobicContact CB-CG2 4.34Å; P395-V400 HydrophobicContact CG-CG2 3.7Å; A396-V400 PolarHBondContact O-N 3.31Å; S397-V400 PolarHBondContact O-N 3.47Å; S397-V400 VanDerWaalsContact O-N 3.15Å; Y398-V400 VanDerWaalsContact C-N 3.32Å; Y398-V400 PolarHBondContact O-N 2.65Å; V400-K404 WeakPolarHBondContact O-CB 3.5Å; V400-K404 PolarHBondContact O-N 2.92Å; V400-I443 HydrophobicContact CG1-CG2 4.35Å; V400-V446 HydrophobicContact CG1-CG1 4.36Å; V400-V446 HydrophobicContact CG2-CG1 3.63Å; V400-E447 HydrophobicContact CG1-CG 4.36Å; V400-F450 HydrophobicContact CG2-CE2 4.25Å
401H95.3Very high95.2Very high123 Ų12358.4 Ų58.457%0.56928%0.277SS*.Hα-helixtrans-64.4-46.2175.2-69.482.9000111.2S397 Y398 K404 A405S397-H401 PolarHBondContact O-N 3.21Å; S397-H401 VanDerWaalsContact O-N 3.14Å; S397-H401 PolarHBondContact O-ND1 3.21Å; S397-H401 PolarHBondContact OG-CE1 3.09Å; Y398-H401 PolarHBondContact O-N 3.03Å; H401-K404 WeakPolarHBondContact O-CB 3.45Å; H401-K404 PolarHBondContact O-N 3.41Å; H401-A405 PolarHBondContact O-N 3.03Å
402G96.5Very high95.2Very high4 Ų455.3 Ų55.34%0.04126%0.262CS..Hα-helixtrans-63.5-45.7177.900000113.5Y398 K404 A405 L406Y398-G402 PolarHBondContact O-N 2.71Å; G402-K404 VanDerWaalsContact C-N 3.25Å; G402-K404 PolarHBondContact O-N 2.67Å; G402-A405 PolarHBondContact O-N 2.92Å; G402-L406 WeakPolarHBondContact O-CB 3.42Å; G402-L406 PolarHBondContact O-N 3.28Å
403A97.4Very high95.4Very high0 Ų044.6 Ų44.60%022%0.222CC..Hα-helixtrans-61.8-33.5174.900000112.3L381 F385 L399 N407 L439 I443L381-A403 HydrophobicContact CD1-CB 4.19Å; F385-A403 HydrophobicContact CE1-CB 4.47Å; F385-A403 HydrophobicContact CE2-CB 4.19Å; F385-A403 HydrophobicContact CZ-CB 3.76Å; L399-A403 WeakPolarHBondContact O-CB 3.25Å; L399-A403 PolarHBondContact O-N 3.28Å; A403-N407 WeakPolarHBondContact O-CB 3.34Å; A403-N407 PolarHBondContact O-N 3.28Å; A403-L439 HydrophobicContact CB-CD1 4.35Å; A403-I443 HydrophobicContact CB-CD1 3.96Å; A403-I443 HydrophobicContact CB-CG1 4.19Å; A403-I443 WeakPolarHBondContact O-CD1 3.45Å
404K97.6Very high95.5Very high88 Ų8837.6 Ų37.638%0.38320%0.198SC..Hα-helixtrans-71.2-42.1176-173.6173.9179.6175.10112.3V400 H401 G402 N408 I443 E447V400-K404 WeakPolarHBondContact O-CB 3.5Å; V400-K404 PolarHBondContact O-N 2.92Å; H401-K404 WeakPolarHBondContact O-CB 3.45Å; H401-K404 PolarHBondContact O-N 3.41Å; G402-K404 VanDerWaalsContact C-N 3.25Å; G402-K404 PolarHBondContact O-N 2.67Å; K404-N408 PolarHBondContact O-N 3.05Å; K404-N408 VanDerWaalsContact O-N 3.13Å; K404-N408 PolarHBondContact O-ND2 3.34Å; K404-I443 HydrophobicContact CB-CD1 4.4Å; K404-I443 HydrophobicContact CB-CG2 4.4Å; K404-E447 IonicContact NZ-OE1 3.12Å; K404-E447 PolarHBondContact NZ-OE1 3.32Å
405A97.8Very high95.8Very high14 Ų1439.9 Ų39.912%0.11620%0.203CC..Hα-helixtrans-61.3-50.6172.400000111.3D347 L350 H401 G402 N407 N408 A409D347-A405 HydrophobicContact CB-CB 3.92Å; L350-A405 HydrophobicContact CD1-CB 4.02Å; H401-A405 PolarHBondContact O-N 3.03Å; G402-A405 PolarHBondContact O-N 2.92Å; A405-N407 PolarHBondContact O-N 2.99Å; A405-N408 WeakPolarHBondContact O-CA 3.47Å; A405-N408 WeakPolarHBondContact O-CB 3.5Å; A405-N408 PolarHBondContact O-N 3.47Å; A405-A409 PolarHBondContact O-N 3.36Å
406L98Very high95.6Very high0 Ų049.3 Ų49.30%024%0.244CC..Hα-helixtrans-59.6-43.6179.2-174.362.9000113I346 L350 C374 V377 L381 G402 N408 A409 F410I346-L406 HydrophobicContact CG2-CB 4.16Å; L350-L406 HydrophobicContact CD1-CB 4.38Å; L350-L406 HydrophobicContact CD1-CD1 4.45Å; L350-L406 HydrophobicContact CD2-CD1 4.46Å; C374-L406 HydrophobicContact CB-CD1 3.81Å; V377-L406 HydrophobicContact CB-CD2 4.36Å; V377-L406 HydrophobicContact CG1-CD2 3.9Å; L381-L406 HydrophobicContact CD1-CD2 3.97Å; G402-L406 WeakPolarHBondContact O-CB 3.42Å; G402-L406 PolarHBondContact O-N 3.28Å; L406-N408 VanDerWaalsContact C-N 3.28Å; L406-N408 PolarHBondContact O-N 2.9Å; L406-A409 WeakPolarHBondContact O-CB 3.46Å; L406-A409 PolarHBondContact O-N 3.37Å; L406-F410 HydrophobicContact CD1-CD1 4.5Å; L406-F410 HydrophobicContact CD1-CE1 3.79Å; L406-F410 HydrophobicContact CD1-CZ 3.8Å; L406-F410 HydrophobicContact CD2-CE2 4.3Å; L406-F410 HydrophobicContact CD2-CZ 3.96Å; L406-F410 HydrophobicContact CG-CE1 4.05Å; L406-F410 HydrophobicContact CG-CE2 3.86Å; L406-F410 HydrophobicContact CG-CZ 3.58Å; L406-F410 WeakPolarHBondContact O-CG 3.41Å; L406-F410 PolarHBondContact O-N 2.81Å
407N97.9Very high95.5Very high5 Ų556.3 Ų56.33%0.02727%0.27CS..Hα-helixtrans-65.8-30.3175.8-167.9-4000112.3A403 A405 R411 I436 L439 A440 I443A403-N407 WeakPolarHBondContact O-CB 3.34Å; A403-N407 PolarHBondContact O-N 3.28Å; A405-N407 PolarHBondContact O-N 2.99Å; N407-R411 WeakPolarHBondContact O-CB 3.26Å; N407-R411 WeakPolarHBondContact O-CD 3.21Å; N407-R411 WeakPolarHBondContact O-CG 3.46Å; N407-R411 PolarHBondContact O-N 2.98Å; N407-R411 VanDerWaalsContact O-N 3.13Å; N407-R411 PolarHBondContact OD1-NE 3.21Å; N407-I436 PolarHBondContact OD1-O 3.33Å; N407-L439 HydrophobicContact CB-CD2 3.97Å; N407-L439 HydrophobicContact CB-CG 4.34Å; N407-A440 VanDerWaalsContact ND2-CA 3.27Å; N407-A440 WeakPolarHBondContact ND2-CA 3.22Å; N407-A440 WeakPolarHBondContact ND2-CB 3.41Å; N407-A440 PolarHBondContact ND2-N 2.91Å; N407-I443 HydrophobicContact CB-CD1 4.29Å
408N97.6Very high95.4Very high88 Ų8853.9 Ų53.947%0.47126%0.255SS..Hα-helixtrans-73.5-34.2172.6-70.9-22.3000112.7K404 A405 L406 R411 T412K404-N408 PolarHBondContact O-N 3.05Å; K404-N408 VanDerWaalsContact O-N 3.13Å; K404-N408 PolarHBondContact O-ND2 3.34Å; A405-N408 WeakPolarHBondContact O-CA 3.47Å; A405-N408 WeakPolarHBondContact O-CB 3.5Å; A405-N408 PolarHBondContact O-N 3.47Å; L406-N408 VanDerWaalsContact C-N 3.28Å; L406-N408 PolarHBondContact O-N 2.9Å; N408-R411 PolarHBondContact O-N 2.82Å; N408-T412 PolarHBondContact O-N 2.83Å; N408-T412 PolarHBondContact O-OG1 2.86Å
409A97.3Very high95.3Very high14 Ų1454.1 Ų54.112%0.11626%0.259CS..Hα-helixtrans-63-53171.700000110.7L350 A405 L406 R411 T412 W413L350-A409 HydrophobicContact CD1-CB 4.22Å; L350-A409 HydrophobicContact CD2-CB 3.99Å; A405-A409 PolarHBondContact O-N 3.36Å; L406-A409 WeakPolarHBondContact O-CB 3.46Å; L406-A409 PolarHBondContact O-N 3.37Å; A409-R411 VanDerWaalsContact C-N 3.28Å; A409-R411 PolarHBondContact O-N 3.28Å; A409-T412 WeakPolarHBondContact O-CA 3.37Å; A409-T412 WeakPolarHBondContact O-CB 3.26Å; A409-T412 PolarHBondContact O-N 3.2Å; A409-W413 HydrophobicContact CB-CD2 4.37Å; A409-W413 HydrophobicContact CB-CH2 4.12Å; A409-W413 HydrophobicContact CB-CZ2 3.78Å; A409-W413 VanDerWaalsContact O-CG 3.29Å; A409-W413 PolarHBondContact O-N 3.24Å
410F97.6Very high95Very high0 Ų057.5 Ų57.50%029%0.289CS..Hα-helixtrans-50.9-44.9173.1-62.5-26000112.8C374 W375 L406 T412 W413 T414 L435 I436 L439C374-F410 HydrophobicContact CB-CE1 4.38Å; C374-F410 WeakPolarHBondContact O-CZ 3.33Å; W375-F410 AromaticContact CD2-CD1 3.88Å; W375-F410 HydrophobicContact CD2-CD1 3.88Å; W375-F410 AromaticContact CD2-CE1 3.65Å; W375-F410 HydrophobicContact CD2-CE1 3.65Å; W375-F410 HydrophobicContact CD2-CZ 4.27Å; W375-F410 AromaticContact CE2-CD1 3.94Å; W375-F410 AromaticContact CE3-CD1 3.64Å; W375-F410 HydrophobicContact CE3-CD1 3.64Å; W375-F410 HydrophobicContact CE3-CD2 4.25Å; W375-F410 AromaticContact CE3-CE1 3.51Å; W375-F410 HydrophobicContact CE3-CE1 3.51Å; W375-F410 HydrophobicContact CE3-CE2 4.14Å; W375-F410 HydrophobicContact CE3-CG 4.03Å; W375-F410 AromaticContact CE3-CZ 3.77Å; W375-F410 HydrophobicContact CE3-CZ 3.77Å; W375-F410 HydrophobicContact CG-CE1 4.18Å; W375-F410 HydrophobicContact CH2-CB 3.64Å; W375-F410 AromaticContact CH2-CD1 3.57Å; W375-F410 HydrophobicContact CH2-CD1 3.57Å; W375-F410 HydrophobicContact CH2-CD2 4.42Å; W375-F410 HydrophobicContact CH2-CE1 4.3Å; W375-F410 AromaticContact CH2-CG 3.64Å; W375-F410 HydrophobicContact CH2-CG 3.64Å; W375-F410 HydrophobicContact CZ2-CB 4.42Å; W375-F410 AromaticContact CZ2-CD1 3.8Å; W375-F410 HydrophobicContact CZ2-CD1 3.8Å; W375-F410 HydrophobicContact CZ2-CE1 4.42Å; W375-F410 HydrophobicContact CZ2-CG 4.33Å; W375-F410 HydrophobicContact CZ3-CB 3.89Å; W375-F410 AromaticContact CZ3-CD1 3.49Å; W375-F410 HydrophobicContact CZ3-CD1 3.49Å; W375-F410 VanDerWaalsContact CZ3-CD1 3.49Å; W375-F410 AromaticContact CZ3-CD2 3.83Å; W375-F410 HydrophobicContact CZ3-CD2 3.83Å; W375-F410 AromaticContact CZ3-CE1 3.86Å; W375-F410 HydrophobicContact CZ3-CE1 3.86Å; W375-F410 HydrophobicContact CZ3-CE2 4.17Å; W375-F410 AromaticContact CZ3-CG 3.47Å; W375-F410 HydrophobicContact CZ3-CG 3.47Å; W375-F410 VanDerWaalsContact CZ3-CG 3.47Å; W375-F410 HydrophobicContact CZ3-CZ 4.18Å; L406-F410 HydrophobicContact CD1-CD1 4.5Å; L406-F410 HydrophobicContact CD1-CE1 3.79Å; L406-F410 HydrophobicContact CD1-CZ 3.8Å; L406-F410 HydrophobicContact CD2-CE2 4.3Å; L406-F410 HydrophobicContact CD2-CZ 3.96Å; L406-F410 HydrophobicContact CG-CE1 4.05Å; L406-F410 HydrophobicContact CG-CE2 3.86Å; L406-F410 HydrophobicContact CG-CZ 3.58Å; L406-F410 WeakPolarHBondContact O-CG 3.41Å; L406-F410 PolarHBondContact O-N 2.81Å; F410-T412 PolarHBondContact O-N 2.74Å; F410-T412 VanDerWaalsContact O-N 3.17Å; F410-W413 AromaticContact CD1-CE3 3.89Å; F410-W413 HydrophobicContact CD1-CE3 3.89Å; F410-W413 AromaticContact CD1-CZ3 3.83Å; F410-W413 HydrophobicContact CD1-CZ3 3.83Å; F410-W413 HydrophobicContact CE1-CZ3 4.03Å; F410-T414 WeakPolarHBondContact O-CB 3.39Å; F410-T414 VanDerWaalsContact O-CG2 3.25Å; F410-T414 WeakPolarHBondContact O-CG2 3.21Å; F410-T414 PolarHBondContact O-N 3.1Å; F410-T414 PolarHBondContact O-OG1 3.34Å; F410-T414 VanDerWaalsContact O-OG1 3.07Å; F410-L435 HydrophobicContact CE2-CD2 4.28Å; F410-I436 HydrophobicContact CB-CD1 3.83Å; F410-I436 HydrophobicContact CB-CG1 3.81Å; F410-I436 HydrophobicContact CD2-CG1 4.35Å; F410-L439 HydrophobicContact CE2-CD2 4.25Å
411R96.4Very high94.6Very high96 Ų9663.9 Ų63.936%0.36232%0.319SS..Hα-helixtrans-66.2-11.7177-73.5161.9-178.7-98.9-18114.7N407 N408 A409 R415 I436N407-R411 WeakPolarHBondContact O-CB 3.26Å; N407-R411 WeakPolarHBondContact O-CD 3.21Å; N407-R411 WeakPolarHBondContact O-CG 3.46Å; N407-R411 PolarHBondContact O-N 2.98Å; N407-R411 VanDerWaalsContact O-N 3.13Å; N407-R411 PolarHBondContact OD1-NE 3.21Å; N408-R411 PolarHBondContact O-N 2.82Å; A409-R411 VanDerWaalsContact C-N 3.28Å; A409-R411 PolarHBondContact O-N 3.28Å; R411-R415 VanDerWaalsContact O-CG 3.25Å; R411-R415 WeakPolarHBondContact O-CG 3.4Å; R411-R415 PolarHBondContact O-NE 2.89Å; R411-I436 HydrophobicContact CG-CG2 3.6Å; R411-I436 PolarHBondContact NH2-O 3.4Å
412T95.6Very high94.5Very high53 Ų5358.6 Ų58.633%0.32529%0.294SS..Hα-helixtrans-100.7-48.9179.2-57.90000109.7N408 A409 F410 T414 R415N408-T412 PolarHBondContact O-N 2.83Å; N408-T412 PolarHBondContact O-OG1 2.86Å; A409-T412 WeakPolarHBondContact O-CA 3.37Å; A409-T412 WeakPolarHBondContact O-CB 3.26Å; A409-T412 PolarHBondContact O-N 3.2Å; F410-T412 PolarHBondContact O-N 2.74Å; F410-T412 VanDerWaalsContact O-N 3.17Å; T412-T414 VanDerWaalsContact C-N 3.26Å; T412-T414 PolarHBondContact O-N 3.08Å; T412-R415 WeakPolarHBondContact O-CB 3.48Å; T412-R415 WeakPolarHBondContact O-CG 3.47Å; T412-R415 PolarHBondContact O-N 2.95Å; T412-R415 VanDerWaalsContact O-N 3.13Å; T412-R415 PolarHBondContact OG1-NH2 2.69Å
413W95.9Very high94.2Very high2 Ų264.4 Ų64.41%0.00832%0.32CS..Hα-helixtrans-56.8-38.6172.9-54.4-20.2000112.2L350 Y353 E371 C374 W375 A409 F410 R415 L419 H422L350-W413 HydrophobicContact CD2-CH2 4Å; L350-W413 HydrophobicContact CD2-CZ2 3.99Å; Y353-W413 HydrophobicContact CD1-CZ2 4.44Å; Y353-W413 HydrophobicContact CE1-CZ2 4.23Å; E371-W413 HydrophobicContact CB-CE3 4.21Å; E371-W413 HydrophobicContact CB-CH2 4.17Å; E371-W413 HydrophobicContact CB-CZ3 3.82Å; E371-W413 HydrophobicContact CG-CD2 4.35Å; E371-W413 HydrophobicContact CG-CE3 4.11Å; E371-W413 HydrophobicContact CG-CH2 3.77Å; E371-W413 HydrophobicContact CG-CZ2 4Å; E371-W413 HydrophobicContact CG-CZ3 3.83Å; C374-W413 HydrophobicContact CB-CH2 4Å; C374-W413 HydrophobicContact CB-CZ3 4.03Å; W375-W413 HydrophobicContact CZ2-CE3 4.33Å; A409-W413 HydrophobicContact CB-CD2 4.37Å; A409-W413 HydrophobicContact CB-CH2 4.12Å; A409-W413 HydrophobicContact CB-CZ2 3.78Å; A409-W413 VanDerWaalsContact O-CG 3.29Å; A409-W413 PolarHBondContact O-N 3.24Å; F410-W413 AromaticContact CD1-CE3 3.89Å; F410-W413 HydrophobicContact CD1-CE3 3.89Å; F410-W413 AromaticContact CD1-CZ3 3.83Å; F410-W413 HydrophobicContact CD1-CZ3 3.83Å; F410-W413 HydrophobicContact CE1-CZ3 4.03Å; W413-R415 VanDerWaalsContact C-N 3.34Å; W413-R415 PolarHBondContact O-N 2.93Å; W413-L419 WeakPolarHBondContact O-CA 3.26Å; W413-L419 PolarHBondContact O-N 2.73Å; W413-H422 VanDerWaalsContact CA-CD2 3.47Å; W413-H422 WeakPolarHBondContact CA-CD2 3.28Å; W413-H422 HydrophobicContact CB-CB 4.07Å; W413-H422 AromaticContact CD1-CE1 3.11Å; W413-H422 AromaticContact CD1-ND1 3.73Å; W413-H422 AromaticContact CD1-NE2 3.52Å; W413-H422 AromaticContact CG-CE1 3.49Å; W413-H422 VanDerWaalsContact CG-CE1 3.49Å; W413-H422 AromaticContact CG-ND1 3.62Å; W413-H422 AromaticContact CG-NE2 3.94Å; W413-H422 AromaticContact NE1-CE1 3.78Å; W413-H422 PolarHBondContact O-CD2 2.83Å
414T94.3Very high93.9Very high27 Ų2772.1 Ų72.117%0.16636%0.358CS..THydrogen-bonded Turntrans-9121.8179.578.40000114.5W375 F410 T412 I432 I436W375-T414 HydrophobicContact CH2-CG2 3.65Å; W375-T414 HydrophobicContact CZ2-CG2 3.86Å; F410-T414 WeakPolarHBondContact O-CB 3.39Å; F410-T414 VanDerWaalsContact O-CG2 3.25Å; F410-T414 WeakPolarHBondContact O-CG2 3.21Å; F410-T414 PolarHBondContact O-N 3.1Å; F410-T414 PolarHBondContact O-OG1 3.34Å; F410-T414 VanDerWaalsContact O-OG1 3.07Å; T412-T414 VanDerWaalsContact C-N 3.26Å; T412-T414 PolarHBondContact O-N 3.08Å; T414-I432 HydrophobicContact CG2-CG2 3.5Å; T414-I436 HydrophobicContact CG2-CD1 4.14Å
415R94.1Very high93.7Very high136 Ų13670.2 Ų70.251%0.51335%0.35SS..SBendtrans-76.4147.5169.1-66.3-177.8-164.217718.7109.3R411 T412 W413 E417 A418 L419R411-R415 VanDerWaalsContact O-CG 3.25Å; R411-R415 WeakPolarHBondContact O-CG 3.4Å; R411-R415 PolarHBondContact O-NE 2.89Å; T412-R415 WeakPolarHBondContact O-CB 3.48Å; T412-R415 WeakPolarHBondContact O-CG 3.47Å; T412-R415 PolarHBondContact O-N 2.95Å; T412-R415 VanDerWaalsContact O-N 3.13Å; T412-R415 PolarHBondContact OG1-NH2 2.69Å; W413-R415 VanDerWaalsContact C-N 3.34Å; W413-R415 PolarHBondContact O-N 2.93Å; R415-E417 PolarHBondContact O-N 3.36Å; R415-A418 PolarHBondContact O-N 2.59Å; R415-L419 WeakPolarHBondContact O-CB 3.43Å; R415-L419 PolarHBondContact O-N 2.94Å
416K89.6Confident93.5Very high205 Ų20570.4 Ų70.489%0.89135%0.349SS*.THydrogen-bonded Turntrans-54.2-31.1-178.2-170-172.2173.7-165.60113.6
417E90.7Very high93.3Very high183 Ų18370.5 Ų70.586%0.85535%0.35SS*.THydrogen-bonded Turntrans-77.4-33179.3-72144.9-158.900113.3R415R415-E417 PolarHBondContact O-N 3.36Å
418A89.6Confident92.9Very high21 Ų2179.2 Ų79.217%0.17439%0.39CS..THydrogen-bonded Turntrans-98.1-27.3-176.200000113.3R415 A420 E421 H422R415-A418 PolarHBondContact O-N 2.59Å; A418-A420 PolarHBondContact O-N 3.29Å; A418-E421 WeakPolarHBondContact O-CB 3.47Å; A418-E421 PolarHBondContact O-N 3.44Å; A418-H422 PolarHBondContact O-CD2 2.99Å; A418-H422 VanDerWaalsContact O-CD2 3.23Å
419L90.7Very high92.6Very high50 Ų5079.6 Ų79.626%0.26240%0.396SS..Hα-helixtrans-50.8-33.7-169178.763.8000114W413 R415 E421 H422 E423 I426W413-L419 WeakPolarHBondContact O-CA 3.26Å; W413-L419 PolarHBondContact O-N 2.73Å; R415-L419 WeakPolarHBondContact O-CB 3.43Å; R415-L419 PolarHBondContact O-N 2.94Å; L419-E421 PolarHBondContact O-N 2.99Å; L419-H422 PolarHBondContact O-N 2.79Å; L419-E423 HydrophobicContact CD1-CB 4.14Å; L419-E423 HydrophobicContact CG-CB 4.36Å; L419-E423 VanDerWaalsContact O-CB 3.27Å; L419-E423 WeakPolarHBondContact O-CB 3.36Å; L419-E423 PolarHBondContact O-N 2.98Å; L419-I426 HydrophobicContact CD1-CD1 4.31Å
420A88.6Confident92.4Very high90 Ų9079.7 Ų79.774%0.74440%0.395SS*.Hα-helixtrans-63.7-23.2178.300000114.4A418A418-A420 PolarHBondContact O-N 3.29Å
421E88.6Confident92.2Very high143 Ų14384.7 Ų84.767%0.66842%0.421SS*.Hα-helixtrans-83.2-26.5173.5-61.3178-166.900112A418 L419A418-E421 WeakPolarHBondContact O-CB 3.47Å; A418-E421 PolarHBondContact O-N 3.44Å; L419-E421 PolarHBondContact O-N 2.99Å
422H91.9Very high92.1Very high11 Ų1182 Ų825%0.05141%0.414CS..Hα-helixtrans-106.8-22.5-167.5-64.7-78.6000114.4K357 E371 W413 A418 L419 M424 E425 I426K357-H422 PolarHBondContact NZ-CE1 2.95Å; K357-H422 VanDerWaalsContact NZ-CE1 3.31Å; E371-H422 IonicContact OE1-CE1 2.67Å; E371-H422 PolarHBondContact OE1-CE1 3.4Å; E371-H422 IonicContact OE1-ND1 3.81Å; E371-H422 PolarHBondContact OE1-ND1 3.34Å; E371-H422 IonicContact OE2-CE1 2.62Å; E371-H422 IonicContact OE2-CG 2.75Å; E371-H422 IonicContact OE2-ND1 3.13Å; E371-H422 PolarHBondContact OE2-ND1 2.85Å; W413-H422 VanDerWaalsContact CA-CD2 3.47Å; W413-H422 WeakPolarHBondContact CA-CD2 3.28Å; W413-H422 HydrophobicContact CB-CB 4.07Å; W413-H422 AromaticContact CD1-CE1 3.11Å; W413-H422 AromaticContact CD1-ND1 3.73Å; W413-H422 AromaticContact CD1-NE2 3.52Å; W413-H422 AromaticContact CG-CE1 3.49Å; W413-H422 VanDerWaalsContact CG-CE1 3.49Å; W413-H422 AromaticContact CG-ND1 3.62Å; W413-H422 AromaticContact CG-NE2 3.94Å; W413-H422 AromaticContact NE1-CE1 3.78Å; W413-H422 PolarHBondContact O-CD2 2.83Å; A418-H422 PolarHBondContact O-CD2 2.99Å; A418-H422 VanDerWaalsContact O-CD2 3.23Å; L419-H422 PolarHBondContact O-N 2.79Å; H422-M424 PolarHBondContact O-N 3.24Å; H422-M424 VanDerWaalsContact O-N 3.11Å; H422-E425 PolarHBondContact O-N 2.86Å; H422-E425 VanDerWaalsContact O-N 3.09Å; H422-I426 WeakPolarHBondContact O-CG1 2.97Å
423E91.2Very high92Very high127 Ų12784.4 Ų84.459%0.59342%0.421SS*.G310 helixtrans-58.9-28.3-171.5-175.7163.1-141.700113.2L419L419-E423 HydrophobicContact CD1-CB 4.14Å; L419-E423 HydrophobicContact CG-CB 4.36Å; L419-E423 VanDerWaalsContact O-CB 3.27Å; L419-E423 WeakPolarHBondContact O-CB 3.36Å; L419-E423 PolarHBondContact O-N 2.98Å
424M91.2Very high92.1Very high161 Ų16187.6 Ų87.679%0.79344%0.441SS*.G310 helixtrans-74.1-24.6179-58.2-161-52.600114.2F232 H422F232-M424 WeakPolarHBondContact CE1-O 3.03Å; F232-M424 WeakPolarHBondContact CZ-O 3.43Å; H422-M424 PolarHBondContact O-N 3.24Å; H422-M424 VanDerWaalsContact O-N 3.11Å
425E92.3Very high92.2Very high48 Ų4886.8 Ų86.822%0.22444%0.436CS..G310 helixtrans-88.20.2179-78-161.8-119.100113.5F370 E371 T372 H422 P427F370-E425 PolarHBondContact N-OE2 3.27Å; E371-E425 WeakPolarHBondContact CA-OE2 3.47Å; E371-E425 HydrophobicContact CB-CB 3.93Å; E371-E425 HydrophobicContact CB-CG 4.49Å; E371-E425 WeakPolarHBondContact CB-OE2 3.4Å; E371-E425 PolarHBondContact N-OE2 2.88Å; T372-E425 VanDerWaalsContact CA-O 3.28Å; T372-E425 WeakPolarHBondContact CA-O 3.25Å; T372-E425 WeakPolarHBondContact CB-O 3.22Å; T372-E425 PolarHBondContact N-OE2 3.44Å; T372-E425 PolarHBondContact OG1-O 3.3Å; H422-E425 PolarHBondContact O-N 2.86Å; H422-E425 VanDerWaalsContact O-N 3.09Å; E425-P427 WeakPolarHBondContact O-CD 3.44Å
426I94.1Very high92.3Very high18 Ų1880.9 Ų80.99%0.09241%0.414CS..SBendtrans-88.7121-173.9-46.2-173.2000110.7W375 L419 H422 E428 I432W375-I426 HydrophobicContact CD2-CG2 4.31Å; W375-I426 HydrophobicContact CG-CG2 4.48Å; W375-I426 HydrophobicContact CZ2-CD1 4.11Å; W375-I426 HydrophobicContact CZ2-CG1 4.33Å; L419-I426 HydrophobicContact CD1-CD1 4.31Å; H422-I426 WeakPolarHBondContact O-CG1 2.97Å; I426-E428 PolarHBondContact O-N 3.43Å; I426-I432 HydrophobicContact CD1-CD1 3.58Å; I426-I432 HydrophobicContact CD1-CG1 4.23Å; I426-I432 HydrophobicContact CG2-CD1 4.01Å; I426-I432 HydrophobicContact CG2-CG1 3.8Å
427P93.5Very high92.7Very high2 Ų276.6 Ų76.61%0.01340%0.396CS..  trans-62.2127.9175.7-2434.3000113.2T372 W375 Y376 E425 T429 I430T372-P427 HydrophobicContact CG2-CG 3.8Å; W375-P427 HydrophobicContact CB-CG 4.17Å; Y376-P427 HydrophobicContact CD1-CG 4.3Å; Y376-P427 HydrophobicContact CD2-CG 4.45Å; Y376-P427 HydrophobicContact CE1-CB 3.78Å; Y376-P427 HydrophobicContact CE1-CG 3.75Å; Y376-P427 HydrophobicContact CE2-CG 3.93Å; E425-P427 WeakPolarHBondContact O-CD 3.44Å; P427-T429 PolarHBondContact O-N 2.9Å; P427-I430 HydrophobicContact CB-CD1 4.01Å; P427-I430 HydrophobicContact CB-CG1 4.21Å; P427-I430 HydrophobicContact CG-CD1 3.94Å; P427-I430 WeakPolarHBondContact O-CB 3.41Å; P427-I430 PolarHBondContact O-N 2.86Å
428E90.3Very high93.1Very high188 Ų18869.7 Ų69.788%0.87936%0.364SS*.THydrogen-bonded Turntrans-53.4-27.5177.4-60.9-169.9160.500113.5I426 I430I426-E428 PolarHBondContact O-N 3.43Å; E428-I430 PolarHBondContact O-N 3.4Å
429T90.8Very high93.4Very high97 Ų9768.7 Ų68.760%0.59536%0.356SS*.THydrogen-bonded Turntrans-73.3-1.1178.367.50000114.3P427P427-T429 PolarHBondContact O-N 2.9Å
430I92.4Very high93.7Very high15 Ų1566.9 Ų66.98%0.07735%0.348CS..  trans-116.5112.2-173.1-65.6179.3000111.1W375 Y376 K379 P427 E428 I432 L435W375-I430 HydrophobicContact CB-CD1 3.79Å; W375-I430 HydrophobicContact CE3-CG2 4.28Å; Y376-I430 HydrophobicContact CD1-CD1 3.98Å; Y376-I430 HydrophobicContact CE1-CD1 4.33Å; K379-I430 HydrophobicContact CD-CD1 4.46Å; K379-I430 HydrophobicContact CD-CG1 4.25Å; P427-I430 HydrophobicContact CB-CD1 4.01Å; P427-I430 HydrophobicContact CB-CG1 4.21Å; P427-I430 HydrophobicContact CG-CD1 3.94Å; P427-I430 WeakPolarHBondContact O-CB 3.41Å; P427-I430 PolarHBondContact O-N 2.86Å; E428-I430 PolarHBondContact O-N 3.4Å; I430-I432 PolarHBondContact O-N 2.84Å; I430-L435 HydrophobicContact CG2-CB 4.5Å; I430-L435 HydrophobicContact CG2-CD2 3.61Å
431N94.4Very high94.1Very high105 Ų10568 Ų6856%0.56134%0.337SS*.  trans-7690.9168.4-170.1-49.8000110.3Q433 T434 L435N431-Q433 PolarHBondContact O-N 2.99Å; N431-Q433 VanDerWaalsContact O-N 3.15Å; N431-Q433 PolarHBondContact OD1-N 2.72Å; N431-T434 PolarHBondContact O-N 2.98Å; N431-T434 VanDerWaalsContact O-N 3.07Å; N431-T434 PolarHBondContact OD1-N 3.49Å; N431-T434 PolarHBondContact OD1-OG1 3.4Å; N431-L435 PolarHBondContact O-N 3.03Å
432I94.1Very high94.5Very high41 Ų4161.4 Ų61.421%0.2131%0.306CS..Hα-helixtrans-36.4-54.3174.9-58.2165.5000112.2W375 T414 I426 I430 T434 L435 I436W375-I432 HydrophobicContact CH2-CG2 4.05Å; W375-I432 HydrophobicContact CZ3-CG2 4.43Å; T414-I432 HydrophobicContact CG2-CG2 3.5Å; I426-I432 HydrophobicContact CD1-CD1 3.58Å; I426-I432 HydrophobicContact CD1-CG1 4.23Å; I426-I432 HydrophobicContact CG2-CD1 4.01Å; I426-I432 HydrophobicContact CG2-CG1 3.8Å; I430-I432 PolarHBondContact O-N 2.84Å; I432-T434 PolarHBondContact O-N 3.25Å; I432-L435 PolarHBondContact O-N 2.63Å; I432-I436 HydrophobicContact CG2-CD1 3.75Å; I432-I436 WeakPolarHBondContact O-CB 3.46Å; I432-I436 WeakPolarHBondContact O-CG1 3.44Å; I432-I436 PolarHBondContact O-N 2.95Å
433Q94.3Very high94.7Very high102 Ų10261.2 Ų61.248%0.47731%0.305SS..Hα-helixtrans-73.4-26.1-170.1-75.7-64.9-32.200113.2N431 K437N431-Q433 PolarHBondContact O-N 2.99Å; N431-Q433 VanDerWaalsContact O-N 3.15Å; N431-Q433 PolarHBondContact OD1-N 2.72Å; Q433-K437 VanDerWaalsContact O-CD 3.28Å; Q433-K437 WeakPolarHBondContact O-CD 3.01Å; Q433-K437 WeakPolarHBondContact O-CG 3.47Å; Q433-K437 PolarHBondContact O-NZ 3.29Å
434T96.7Very high94.9Very high69 Ų6962.8 Ų62.842%0.42331%0.306SS..Hα-helixtrans-79.5-48.1170.5-61.40000110.2N431 I432 I436 K437 D438N431-T434 PolarHBondContact O-N 2.98Å; N431-T434 VanDerWaalsContact O-N 3.07Å; N431-T434 PolarHBondContact OD1-N 3.49Å; N431-T434 PolarHBondContact OD1-OG1 3.4Å; I432-T434 PolarHBondContact O-N 3.25Å; T434-I436 PolarHBondContact O-N 2.89Å; T434-K437 PolarHBondContact O-N 2.83Å; T434-K437 VanDerWaalsContact O-N 3.13Å; T434-D438 WeakPolarHBondContact CG2-OD2 3.24Å; T434-D438 WeakPolarHBondContact O-CB 3.38Å; T434-D438 PolarHBondContact O-N 3.24Å
435L97.2Very high95Very high10 Ų1058.3 Ų58.35%0.05228%0.284CS..Hα-helixtrans-56.5-51.6-177.5178.456.3000112.5W375 L382 F410 I430 N431 I432 K437 D438 L439W375-L435 HydrophobicContact CE3-CD2 3.97Å; W375-L435 HydrophobicContact CZ3-CD2 4.27Å; L382-L435 HydrophobicContact CB-CD1 4.18Å; L382-L435 HydrophobicContact CD2-CD1 3.77Å; F410-L435 HydrophobicContact CE2-CD2 4.28Å; I430-L435 HydrophobicContact CG2-CB 4.5Å; I430-L435 HydrophobicContact CG2-CD2 3.61Å; N431-L435 PolarHBondContact O-N 3.03Å; I432-L435 PolarHBondContact O-N 2.63Å; L435-K437 PolarHBondContact O-N 2.92Å; L435-D438 PolarHBondContact O-N 2.85Å; L435-L439 WeakPolarHBondContact O-CB 3.13Å; L435-L439 PolarHBondContact O-N 2.7Å
436I97.1Very high95Very high12 Ų1256.4 Ų56.46%0.06228%0.276CS..Hα-helixtrans-61.1-30.6179.9-69.5173000112.6W375 N407 F410 R411 T414 I432 T434 A440W375-I436 HydrophobicContact CH2-CD1 4.29Å; N407-I436 PolarHBondContact OD1-O 3.33Å; F410-I436 HydrophobicContact CB-CD1 3.83Å; F410-I436 HydrophobicContact CB-CG1 3.81Å; F410-I436 HydrophobicContact CD2-CG1 4.35Å; R411-I436 HydrophobicContact CG-CG2 3.6Å; R411-I436 PolarHBondContact NH2-O 3.4Å; T414-I436 HydrophobicContact CG2-CD1 4.14Å; I432-I436 HydrophobicContact CG2-CD1 3.75Å; I432-I436 WeakPolarHBondContact O-CB 3.46Å; I432-I436 WeakPolarHBondContact O-CG1 3.44Å; I432-I436 PolarHBondContact O-N 2.95Å; T434-I436 PolarHBondContact O-N 2.89Å; I436-A440 WeakPolarHBondContact O-CB 3.37Å; I436-A440 PolarHBondContact O-N 2.94Å
437K97.6Very high94.9Very high115 Ų11558 Ų5850%0.528%0.283SS..Hα-helixtrans-82.3-46.2-179.8-68.1-176.7-169.297.30111.5Q433 T434 L435 A440 K441Q433-K437 VanDerWaalsContact O-CD 3.28Å; Q433-K437 WeakPolarHBondContact O-CD 3.01Å; Q433-K437 WeakPolarHBondContact O-CG 3.47Å; Q433-K437 PolarHBondContact O-NZ 3.29Å; T434-K437 PolarHBondContact O-N 2.83Å; T434-K437 VanDerWaalsContact O-N 3.13Å; L435-K437 PolarHBondContact O-N 2.92Å; K437-A440 PolarHBondContact O-N 3.3Å; K437-K441 WeakPolarHBondContact O-CB 3.37Å; K437-K441 PolarHBondContact O-N 3.15Å
438D97.8Very high94.7Very high38 Ų3861.6 Ų61.620%0.20330%0.302CS..Hα-helixtrans-69.2-44.6-179.9-80.6-15.7000111.6L382 R386 T434 L435 A440 K441 E442L382-D438 HydrophobicContact CD1-CB 3.93Å; L382-D438 HydrophobicContact CD2-CB 3.73Å; R386-D438 IonicContact CZ-OD2 3.78Å; R386-D438 IonicContact NH2-OD1 2.71Å; R386-D438 IonicContact NH2-OD2 3.58Å; R386-D438 PolarHBondContact NH2-OD2 3.24Å; T434-D438 WeakPolarHBondContact CG2-OD2 3.24Å; T434-D438 WeakPolarHBondContact O-CB 3.38Å; T434-D438 PolarHBondContact O-N 3.24Å; L435-D438 PolarHBondContact O-N 2.85Å; D438-A440 VanDerWaalsContact C-N 3.29Å; D438-A440 PolarHBondContact O-N 2.69Å; D438-K441 WeakPolarHBondContact O-CB 3.5Å; D438-K441 PolarHBondContact O-N 3.28Å; D438-E442 WeakPolarHBondContact O-CG 3.47Å; D438-E442 PolarHBondContact O-N 2.94Å
439L97.4Very high94.6Very high0 Ų055 Ų550%027%0.273CS..Hα-helixtrans-61-38.9175.2-174.559.4000111.3L382 A403 N407 F410 L435 K441 E442 I443L382-L439 HydrophobicContact CB-CD1 4.24Å; A403-L439 HydrophobicContact CB-CD1 4.35Å; N407-L439 HydrophobicContact CB-CD2 3.97Å; N407-L439 HydrophobicContact CB-CG 4.34Å; F410-L439 HydrophobicContact CE2-CD2 4.25Å; L435-L439 WeakPolarHBondContact O-CB 3.13Å; L435-L439 PolarHBondContact O-N 2.7Å; L439-K441 VanDerWaalsContact C-N 3.32Å; L439-K441 PolarHBondContact O-N 2.99Å; L439-E442 PolarHBondContact O-N 3.3Å; L439-I443 HydrophobicContact CD1-CD1 4.25Å; L439-I443 HydrophobicContact CG-CD1 3.96Å; L439-I443 WeakPolarHBondContact O-CB 3.47Å; L439-I443 WeakPolarHBondContact O-CD1 3.23Å; L439-I443 VanDerWaalsContact O-CG1 3.23Å; L439-I443 WeakPolarHBondContact O-CG1 3.21Å; L439-I443 PolarHBondContact O-N 2.85Å
440A97.3Very high94.4Very high12 Ų1254 Ų5410%0.09926%0.26CS..Hα-helixtrans-68-31.2174.900000113.4N407 I436 K437 D438 R444N407-A440 VanDerWaalsContact ND2-CA 3.27Å; N407-A440 WeakPolarHBondContact ND2-CA 3.22Å; N407-A440 WeakPolarHBondContact ND2-CB 3.41Å; N407-A440 PolarHBondContact ND2-N 2.91Å; I436-A440 WeakPolarHBondContact O-CB 3.37Å; I436-A440 PolarHBondContact O-N 2.94Å; K437-A440 PolarHBondContact O-N 3.3Å; D438-A440 VanDerWaalsContact C-N 3.29Å; D438-A440 PolarHBondContact O-N 2.69Å; A440-R444 WeakPolarHBondContact O-CD 3.43Å; A440-R444 VanDerWaalsContact O-CG 3.23Å; A440-R444 WeakPolarHBondContact O-CG 3.21Å; A440-R444 PolarHBondContact O-N 2.66Å
441K96.9Very high94Very high115 Ų11559.3 Ų59.350%0.529%0.285SS..Hα-helixtrans-70.6-45.8175.2179.2-171.9172.5-168.10110.7K437 D438 L439 R444 L445K437-K441 WeakPolarHBondContact O-CB 3.37Å; K437-K441 PolarHBondContact O-N 3.15Å; D438-K441 WeakPolarHBondContact O-CB 3.5Å; D438-K441 PolarHBondContact O-N 3.28Å; L439-K441 VanDerWaalsContact C-N 3.32Å; L439-K441 PolarHBondContact O-N 2.99Å; K441-R444 PolarHBondContact O-N 2.83Å; K441-L445 HydrophobicContact CG-CD1 4.29Å; K441-L445 WeakPolarHBondContact O-CG 3.26Å; K441-L445 PolarHBondContact O-N 2.99Å; K441-L445 VanDerWaalsContact O-N 3.08Å
442E96Very high93.3Very high4 Ų460.4 Ų60.42%0.01929%0.286CS..Hα-helixtrans-65.4-43.3178.1-61.9-51.5157.100112.2L382 F385 R386 R389 D438 L439 R444 L445 V446L382-E442 HydrophobicContact CD1-CB 4.46Å; L382-E442 HydrophobicContact CD1-CG 3.57Å; F385-E442 HydrophobicContact CB-CB 3.99Å; F385-E442 HydrophobicContact CB-CG 4.42Å; F385-E442 HydrophobicContact CD2-CB 4.13Å; R386-E442 HydrophobicContact CG-CG 4.25Å; R386-E442 IonicContact NE-OE1 2.74Å; R389-E442 IonicContact CZ-OE1 2.98Å; R389-E442 VanDerWaalsContact CZ-OE1 3.26Å; R389-E442 IonicContact CZ-OE2 3.69Å; R389-E442 IonicContact NE-OE2 3.5Å; R389-E442 IonicContact NH1-OE1 2.73Å; R389-E442 PolarHBondContact NH1-OE1 3.2Å; R389-E442 IonicContact NH1-OE2 3.59Å; R389-E442 PolarHBondContact NH1-OE2 2.72Å; R389-E442 IonicContact NH2-OE1 3.33Å; R389-E442 PolarHBondContact NH2-OE1 3.02Å; R389-E442 VanDerWaalsContact NH2-OE1 3.12Å; R389-E442 IonicContact NH2-OE2 2.75Å; D438-E442 WeakPolarHBondContact O-CG 3.47Å; D438-E442 PolarHBondContact O-N 2.94Å; L439-E442 PolarHBondContact O-N 3.3Å; E442-R444 PolarHBondContact O-N 2.68Å; E442-L445 PolarHBondContact O-N 3.3Å; E442-V446 WeakPolarHBondContact O-CG2 3.49Å; E442-V446 PolarHBondContact O-N 2.69Å; E442-V446 VanDerWaalsContact O-N 3.08Å
443I95.6Very high92.1Very high7 Ų762.3 Ų62.34%0.03630%0.297CS..Hα-helixtrans-56-49.6174.6-70.2160.2000110.9F385 V400 A403 K404 N407 L439 L445 V446 E447F385-I443 HydrophobicContact CD2-CG1 4.5Å; F385-I443 HydrophobicContact CE2-CG1 3.95Å; V400-I443 HydrophobicContact CG1-CG2 4.35Å; A403-I443 HydrophobicContact CB-CD1 3.96Å; A403-I443 HydrophobicContact CB-CG1 4.19Å; A403-I443 WeakPolarHBondContact O-CD1 3.45Å; K404-I443 HydrophobicContact CB-CD1 4.4Å; K404-I443 HydrophobicContact CB-CG2 4.4Å; N407-I443 HydrophobicContact CB-CD1 4.29Å; L439-I443 HydrophobicContact CD1-CD1 4.25Å; L439-I443 HydrophobicContact CG-CD1 3.96Å; L439-I443 WeakPolarHBondContact O-CB 3.47Å; L439-I443 WeakPolarHBondContact O-CD1 3.23Å; L439-I443 VanDerWaalsContact O-CG1 3.23Å; L439-I443 WeakPolarHBondContact O-CG1 3.21Å; L439-I443 PolarHBondContact O-N 2.85Å; I443-L445 PolarHBondContact O-N 3.32Å; I443-V446 PolarHBondContact O-N 3.07Å; I443-V446 VanDerWaalsContact O-N 3.15Å; I443-E447 HydrophobicContact CG2-CG 4.22Å; I443-E447 WeakPolarHBondContact O-CG 3.25Å; I443-E447 PolarHBondContact O-N 2.99Å
444R95.3Very high90.6Very high160 Ų16063.3 Ų63.360%0.60430%0.304SS*.Hα-helixtrans-60.3-44.2179.5-75.2170.8179-171.3-2.5112.9A440 K441 E442 V446 E447 D448A440-R444 WeakPolarHBondContact O-CD 3.43Å; A440-R444 VanDerWaalsContact O-CG 3.23Å; A440-R444 WeakPolarHBondContact O-CG 3.21Å; A440-R444 PolarHBondContact O-N 2.66Å; K441-R444 PolarHBondContact O-N 2.83Å; E442-R444 PolarHBondContact O-N 2.68Å; R444-V446 PolarHBondContact O-N 3.21Å; R444-E447 PolarHBondContact O-N 3.46Å; R444-D448 WeakPolarHBondContact O-CB 3.42Å; R444-D448 VanDerWaalsContact O-CG 3.25Å; R444-D448 PolarHBondContact O-N 3.01Å
445L93.5Very high88.4Confident66 Ų6663.2 Ų63.235%0.34632%0.317SS..Hα-helixtrans-60.2-35.7177.3-71.5170.9000111.9K441 E442 I443 I449K441-L445 HydrophobicContact CG-CD1 4.29Å; K441-L445 WeakPolarHBondContact O-CG 3.26Å; K441-L445 PolarHBondContact O-N 2.99Å; K441-L445 VanDerWaalsContact O-N 3.08Å; E442-L445 PolarHBondContact O-N 3.3Å; I443-L445 PolarHBondContact O-N 3.32Å; L445-I449 VanDerWaalsContact O-CD1 3.3Å; L445-I449 WeakPolarHBondContact O-CD1 3.35Å; L445-I449 WeakPolarHBondContact O-CG1 3.35Å; L445-I449 PolarHBondContact O-N 3.31Å
446V92.6Very high86.3Confident9 Ų972.8 Ų72.86%0.05535%0.353CS..Hα-helixtrans-73.4-43.3175.4172.50000111.6F385 P395 V400 E442 I443 R444 D448 I449 F450F385-V446 HydrophobicContact CD2-CG2 4.38Å; P395-V446 HydrophobicContact CG-CG1 3.87Å; P395-V446 HydrophobicContact CG-CG2 4.04Å; V400-V446 HydrophobicContact CG1-CG1 4.36Å; V400-V446 HydrophobicContact CG2-CG1 3.63Å; E442-V446 WeakPolarHBondContact O-CG2 3.49Å; E442-V446 PolarHBondContact O-N 2.69Å; E442-V446 VanDerWaalsContact O-N 3.08Å; I443-V446 PolarHBondContact O-N 3.07Å; I443-V446 VanDerWaalsContact O-N 3.15Å; R444-V446 PolarHBondContact O-N 3.21Å; V446-D448 VanDerWaalsContact C-N 3.35Å; V446-D448 PolarHBondContact O-N 3.3Å; V446-I449 PolarHBondContact O-N 3.36Å; V446-F450 HydrophobicContact CG1-CD2 3.68Å; V446-F450 HydrophobicContact CG1-CE2 3.43Å; V446-F450 VanDerWaalsContact CG1-CE2 3.43Å; V446-F450 VanDerWaalsContact O-CD2 3.27Å; V446-F450 WeakPolarHBondContact O-CD2 3.22Å; V446-F450 PolarHBondContact O-N 3.07Å
447E92Very high83.7Confident52 Ų5278.7 Ų78.724%0.24339%0.389CS..Hα-helixtrans-59.4-42.3174.5-71-178.9129.700112.2V400 K404 I443 R444 I449 F450 Q451V400-E447 HydrophobicContact CG1-CG 4.36Å; K404-E447 IonicContact NZ-OE1 3.12Å; K404-E447 PolarHBondContact NZ-OE1 3.32Å; I443-E447 HydrophobicContact CG2-CG 4.22Å; I443-E447 WeakPolarHBondContact O-CG 3.25Å; I443-E447 PolarHBondContact O-N 2.99Å; R444-E447 PolarHBondContact O-N 3.46Å; E447-I449 VanDerWaalsContact C-N 3.33Å; E447-I449 PolarHBondContact O-N 3.5Å; E447-F450 PolarHBondContact O-N 3.2Å; E447-Q451 WeakPolarHBondContact O-CG 3.36Å; E447-Q451 PolarHBondContact O-N 2.97Å
448D90.3Very high80.5Confident76 Ų7675.9 Ų75.941%0.40639%0.393SS..Hα-helixtrans-61.4-39.5176.2-73.6-25.3000111.7R444 V446 Q452R444-D448 WeakPolarHBondContact O-CB 3.42Å; R444-D448 VanDerWaalsContact O-CG 3.25Å; R444-D448 PolarHBondContact O-N 3.01Å; V446-D448 VanDerWaalsContact C-N 3.35Å; V446-D448 PolarHBondContact O-N 3.3Å; D448-Q452 WeakPolarHBondContact O-CB 3.44Å; D448-Q452 VanDerWaalsContact O-CG 3.24Å; D448-Q452 WeakPolarHBondContact O-CG 3.11Å; D448-Q452 PolarHBondContact O-N 3.32Å; D448-Q452 PolarHBondContact O-NE2 3.36Å
449I87.8Confident77.8Confident50 Ų5079.9 Ų79.926%0.25642%0.421SS..Hα-helixtrans-70.5-42.3177.9-68.2163.6000111L445 V446 E447 Q451 Q452 N453L445-I449 VanDerWaalsContact O-CD1 3.3Å; L445-I449 WeakPolarHBondContact O-CD1 3.35Å; L445-I449 WeakPolarHBondContact O-CG1 3.35Å; L445-I449 PolarHBondContact O-N 3.31Å; V446-I449 PolarHBondContact O-N 3.36Å; E447-I449 VanDerWaalsContact C-N 3.33Å; E447-I449 PolarHBondContact O-N 3.5Å; I449-Q451 VanDerWaalsContact C-N 3.33Å; I449-Q451 PolarHBondContact O-N 3.03Å; I449-Q452 PolarHBondContact O-N 2.96Å; I449-N453 PolarHBondContact O-N 3.42Å; I449-N453 PolarHBondContact O-ND2 3.18Å
450F85.9Confident75.1Confident77 Ų7789.2 Ų89.234%0.33846%0.464SS..Hα-helixtrans-60.5-43174.7-80.5-62.1000111.7H394 V400 V446 E447 Q452 N453 I454H394-F450 HydrophobicContact CB-CZ 4.48Å; V400-F450 HydrophobicContact CG2-CE2 4.25Å; V446-F450 HydrophobicContact CG1-CD2 3.68Å; V446-F450 HydrophobicContact CG1-CE2 3.43Å; V446-F450 VanDerWaalsContact CG1-CE2 3.43Å; V446-F450 VanDerWaalsContact O-CD2 3.27Å; V446-F450 WeakPolarHBondContact O-CD2 3.22Å; V446-F450 PolarHBondContact O-N 3.07Å; E447-F450 PolarHBondContact O-N 3.2Å; F450-Q452 PolarHBondContact O-N 2.83Å; F450-N453 PolarHBondContact O-N 3.21Å; F450-I454 VanDerWaalsContact O-CG1 3.31Å; F450-I454 WeakPolarHBondContact O-CG1 3.34Å; F450-I454 PolarHBondContact O-N 3.33Å
451Q84.8Confident71.9Confident126 Ų12698.3 Ų98.359%0.58950%0.502SS*.Hα-helixtrans-61.9-42.5174.6-71.617555.800112.5E447 I449 N453 I454 G455E447-Q451 WeakPolarHBondContact O-CG 3.36Å; E447-Q451 PolarHBondContact O-N 2.97Å; I449-Q451 VanDerWaalsContact C-N 3.33Å; I449-Q451 PolarHBondContact O-N 3.03Å; Q451-N453 VanDerWaalsContact C-N 3.32Å; Q451-N453 PolarHBondContact O-N 3.31Å; Q451-I454 PolarHBondContact O-N 3.13Å; Q451-G455 PolarHBondContact O-N 2.95Å
452Q79.8Confident69Low127 Ų12798.8 Ų98.859%0.59352%0.517SS*.Hα-helixtrans-64.4-34.3176.7-75.2169.956.300113.1D448 I449 F450D448-Q452 WeakPolarHBondContact O-CB 3.44Å; D448-Q452 VanDerWaalsContact O-CG 3.24Å; D448-Q452 WeakPolarHBondContact O-CG 3.11Å; D448-Q452 PolarHBondContact O-N 3.32Å; D448-Q452 PolarHBondContact O-NE2 3.36Å; I449-Q452 PolarHBondContact O-N 2.96Å; F450-Q452 PolarHBondContact O-N 2.83Å
453N69.3Low66Low82 Ų82102.5 Ų102.544%0.43956%0.556SS.*Hα-helixtrans-72.8-41.4175.9-73.5-27.9000111.9I449 F450 Q451 G455 R456I449-N453 PolarHBondContact O-N 3.42Å; I449-N453 PolarHBondContact O-ND2 3.18Å; F450-N453 PolarHBondContact O-N 3.21Å; Q451-N453 VanDerWaalsContact C-N 3.32Å; Q451-N453 PolarHBondContact O-N 3.31Å; N453-G455 VanDerWaalsContact C-N 3.3Å; N453-G455 PolarHBondContact O-N 2.88Å; N453-R456 PolarHBondContact O-N 3.26Å; N453-R456 VanDerWaalsContact O-N 3.15Å
454I63.1Low62.8Low123 Ų123106.4 Ų106.463%0.63159%0.589SS**Hα-helixtrans-59.4-43.1173-68.1162.7000110.4F450 Q451 R456 T457F450-I454 VanDerWaalsContact O-CG1 3.31Å; F450-I454 WeakPolarHBondContact O-CG1 3.34Å; F450-I454 PolarHBondContact O-N 3.33Å; Q451-I454 PolarHBondContact O-N 3.13Å; I454-R456 PolarHBondContact O-N 2.62Å; I454-R456 VanDerWaalsContact O-N 3.11Å; I454-T457 PolarHBondContact O-N 2.97Å; I454-T457 PolarHBondContact O-OG1 3.4Å
455G49.9Very low59.8Low67 Ų67105.1 Ų105.169%0.69160%0.602SS**THydrogen-bonded Turntrans-68-1.8177.400000116.2Q451 N453Q451-G455 PolarHBondContact O-N 2.95Å; N453-G455 VanDerWaalsContact C-N 3.3Å; N453-G455 PolarHBondContact O-N 2.88Å
456R53.7Low56.9Low211 Ų211109.3 Ų109.380%0.79662%0.624SS**THydrogen-bonded Turntrans-104.67.1179.8-86.4-173.9168.8-146.3-1.8115.1N453 I454 G458N453-R456 PolarHBondContact O-N 3.26Å; N453-R456 VanDerWaalsContact O-N 3.15Å; I454-R456 PolarHBondContact O-N 2.62Å; I454-R456 VanDerWaalsContact O-N 3.11Å; R456-G458 PolarHBondContact O-N 3.48Å
457T42.3Very low53.9Low136 Ų136114.9 Ų114.983%0.83466%0.663SS**  trans-77.758.1-179.249.60000113.9I454I454-T457 PolarHBondContact O-N 2.97Å; I454-T457 PolarHBondContact O-OG1 3.4Å
458G30.6Very low51.1Low55 Ų55120.4 Ų120.457%0.56769%0.687SS**  trans144.4148.8167.600000114R456R456-G458 PolarHBondContact O-N 3.48Å
459P40.8Very low47.9Very low122 Ų122120.8 Ų120.879%0.79270%0.7SS**PPolyproline II helixcis-89.1171.2-2.437.2-35.6000113.3
460Q40.8Very low45.3Very low196 Ų196124.9 Ų124.992%0.91673%0.73SS**PPolyproline II helixtrans-63.5137.3173.2-70.7173.5-46.800112.3
461F29.6Very low42.8Very low203 Ų203128.6 Ų128.689%0.8975%0.752SS**PPolyproline II helixtrans-91.7138154.2-97-94.7000109.6
462P36.6Very low40Very low125 Ų125128 Ų12881%0.81276%0.762SS**PPolyproline II helixtrans-85136.4179.233.1-33.2000111.6
463G32.8Very low37.4Very low82 Ų82126.6 Ų126.685%0.84577%0.773SS**  trans151.447.2169.700000118.6
464A26.8Very low35.3Very low89 Ų89126.7 Ų126.774%0.73679%0.785SS**SBendtrans-146.6152.4162.600000110.4
465P34Very low33.6Very low134 Ų134129.1 Ų129.187%0.8779%0.793SS**  trans-76.3138.6-161.3-18.133.4000114.9
466L32.5Very low32.4Very low153 Ų153132.3 Ų132.380%0.80180%0.795SS**  trans-94.9111.9169.4-78.9166.4000110.8K468L466-K468 PolarHBondContact O-N 3.17Å
467S28.4Very low31.1Very low126 Ų126127.6 Ų127.688%0.88179%0.794SS**  trans-73.2104.5159.841.90000109.4
468K33Very low30.2Very low169 Ų169124.8 Ų124.874%0.73579%0.792SS**  trans-87.9136.7178.1-72.5-175.4177.6178.60111.9L466L466-K468 PolarHBondContact O-N 3.17Å
469A24.7Very low30Very low84 Ų84131.4 Ų131.469%0.69480%0.8SS**  trans-78.2156.1151.200000110.3
470P32.4Very low30.3Very low136 Ų136129.6 Ų129.688%0.88379%0.788SS**  trans-75.9176.1-168.2-19.335.3000116.4
471L33.8Very low30.5Very low154 Ų154124 Ų12481%0.80677%0.769SS**  trans-123.7142.4-168.5-66.6158.5000112.9
472S26Very low30.6Very low114 Ų114115.6 Ų115.680%0.79774%0.739SS**  trans-167133.3140.549.40000108.3
473A25.5Very low30.4Very low98 Ų98118.7 Ų118.781%0.8174%0.74SS**  cis77132.22600000114
474A24.6Very low30.3Very low84 Ų84124.2 Ų124.269%0.69474%0.741SS**  cis-169.5-167.1-8.200000110.4
475Q26.1Very low30.4Very low173 Ų173130.4 Ų130.481%0.80875%0.751SS**  trans77.4159.3164.1-50-166.427.500115.9
476N25.6Very low30.1Very low135 Ų135127.4 Ų127.472%0.72275%0.745SS**  cis-170.9168.3-23.5-97.4-21.1000107.5
477S25.8Very low30.4Very low111 Ų111126.7 Ų126.778%0.77675%0.749SS**  cis-174150.9-26.959.20000109.6
478G24.4Very low30.6Very low78 Ų78129.8 Ų129.880%0.80475%0.747SS**  trans-168.5154.5178.900000116.9
479R26.3Very low30.9Very low194 Ų194127.9 Ų127.973%0.73275%0.752SS**  trans-167-173.6-174-115.7-172.8175.3-152.1-2.6109.3A895R479-A895 PolarHBondContact NH2-O 3.37Å
480P46.9Very low31.1Very low83 Ų83133.1 Ų133.154%0.53976%0.759SS.*  cis-127.4-118.5-0.533.1-7000111.3P897 P898P480-P897 CarbonylContact C-O 3.58Å; P480-P897 VanDerWaalsContact C-O 3.29Å; P480-P898 CarbonylContact O-C 3.55Å; P480-P898 WeakPolarHBondContact O-CA 3.38Å
481P45Very low30.8Very low79 Ų79135.6 Ų135.651%0.51376%0.758SS.*  cis-128.9118.2-43.831.4-10.6000118.8P897 P898P481-P897 CarbonylContact C-O 3.56Å; P481-P897 WeakPolarHBondContact CA-O 3.27Å; P481-P898 CarbonylContact C-O 3.34Å; P481-P898 WeakPolarHBondContact CD-O 3.5Å
482G31.5Very low30.4Very low26 Ų26133.7 Ų133.727%0.26875%0.753SS.*  trans99.8172.3139.900000119.8P897 P898G482-P897 VanDerWaalsContact N-C 3.34Å; G482-P897 PolarHBondContact N-O 3.11Å; G482-P898 VanDerWaalsContact O-CD 3.28Å; G482-P898 WeakPolarHBondContact O-CD 3.21Å
483K33.3Very low30.5Very low190 Ų190136.8 Ų136.883%0.82676%0.76SS**  cis-132.2-124.612.7-61.7176.5-176.4174.10114.1
484K30.4Very low30.4Very low199 Ų199135.7 Ų135.787%0.86576%0.758SS**  trans-150.4168.3-162.6-56.6-177.9-176.7177.40116.6
485K28.4Very low30.5Very low219 Ų219134.7 Ų134.795%0.95276%0.756SS**  trans103.6149.5168.2-59.5178.4-179.4-176.60116.7
486G27.7Very low30.5Very low71 Ų71137.3 Ų137.373%0.73277%0.765SS**  cis-160.2-176.22.400000114.8
487P38.6Very low30.5Very low138 Ų138134.1 Ų134.190%0.89676%0.764SS**  trans-118.2-169.1-155.543.6-34.7000119.5
488K32.4Very low31.3Very low191 Ų191134.2 Ų134.283%0.8376%0.762SS**  trans-79.9174.8-172.8-50.5-179.6179.4-175.60116.3
489P39.1Very low31.4Very low129 Ų129137.4 Ų137.484%0.83877%0.766SS**  -135.8-161.811540.7-30.6000116
490K29.7Very low31.3Very low193 Ų193131.2 Ų131.284%0.83976%0.763SS**  trans-129.8164.1176.9-74.5178.3167.8-174.10109.5
491E24.9Very low30.4Very low188 Ų188134.1 Ų134.188%0.87978%0.779SS**  trans-179.6-167.2132.8-100.3170.4-168.600111.5
492V27.1Very low29.5Very low115 Ų115139.8 Ų139.870%0.69780%0.796SS**  -158.1154.9-86.7142.80000110.9
493L26.2Very low29.3Very low178 Ų178148.9 Ų148.993%0.93283%0.828SS**  trans60.7165.6179.1-101.559.9000114.6
494G24.9Very low28.9Very low76 Ų76149.6 Ų149.678%0.78483%0.831SS**  cis172.8156.3-5.800000105.6
495G25.8Very low28.6Very low63 Ų63145.4 Ų145.465%0.64983%0.827SS**  cis165.9175.61100000107.3
496F26.8Very low28.6Very low228 Ų228142.6 Ų142.6100%182%0.817SS**  trans71.2149.7171.9-56.8-81.5000120.8
497G24.9Very low28.5Very low68 Ų68148.4 Ų148.470%0.70182%0.822SS**  trans-127.1-14316200000108.4
498P42.4Very low27.8Very low112 Ų112145.8 Ų145.873%0.72782%0.82SS**  cis-139.1-174.50.344-26.6000115.2
499T26.3Very low27.5Very low146 Ų146145.1 Ų145.190%0.89683%0.825SS**  trans62.1150.116562.20000118.4
500G25.3Very low26.9Very low63 Ų63146.6 Ų146.665%0.64983%0.825SS**  cis153.9136.1-15.800000113.4
501T27.2Very low26.8Very low145 Ų145145.7 Ų145.789%0.8982%0.82SS**  trans173.8140.7143.829.40000117.2
502K26.2Very low27Very low198 Ų198141.5 Ų141.586%0.86182%0.818SS**  trans-2.2131.8156.4-55.1167.4-177.3171.50122
503K26.7Very low27.1Very low216 Ų216143.6 Ų143.694%0.93982%0.821SS**  -162.5174.6108.6-117.5176.1-178.8176.60113.5
504K25.8Very low27.3Very low205 Ų205140.4 Ų140.489%0.89182%0.82SS**  trans-102155-166-64.1178.3175.8178.90114.1
505S24.4Very low27.4Very low111 Ų111140.6 Ų140.678%0.77682%0.821SS**  149.5148.7121-165.90000110.3
506Q27.1Very low27.7Very low161 Ų161146.3 Ų146.375%0.75283%0.831SS**  cis174.9156.9-27.2-169.3-161.89.900104.2
507K25.8Very low28.2Very low193 Ų193143.7 Ų143.784%0.83983%0.827SS**  trans70.4123.8176.3-63.8-174.4176.2179.40115.5
508G24.2Very low28.7Very low82 Ų82148.5 Ų148.585%0.84583%0.831SS**  trans-102.8-162.3178.600000113
509L25.6Very low28.6Very low178 Ų178150 Ų15093%0.93283%0.832SS**  trans-135.3161.5-178.4-170.657000111.1
510L27.6Very low29.4Very low160 Ų160149.9 Ų149.984%0.83883%0.825SS**  trans-85.8172.4-176.5-72.9163000113.3
511K27.9Very low30.3Very low173 Ų173153.3 Ų153.375%0.75282%0.824SS**  trans-41.9136.3171-163.4-170.6-175.2-136.70112.4E513K511-E513 IonicContact NZ-OE1 2.74Å; K511-E513 IonicContact NZ-OE2 3.38Å; K511-E513 PolarHBondContact NZ-OE2 3.07Å
512A27.8Very low31.2Very low101 Ų101152.4 Ų152.484%0.83581%0.812SS**  trans-110.2134.6172.500000110.6
513E29.9Very low31.8Very low159 Ų159150.1 Ų150.174%0.74380%0.804SS**  trans-158.197.1-178.9-172.1158.4-142.500108K511K511-E513 IonicContact NZ-OE1 2.74Å; K511-E513 IonicContact NZ-OE2 3.38Å; K511-E513 PolarHBondContact NZ-OE2 3.07Å
514A29.7Very low32.5Very low111 Ų111143.7 Ų143.792%0.91779%0.792SS**  trans-165.5151.1-178.500000111.7
515G27.1Very low33.2Very low79 Ų79141.5 Ų141.581%0.81478%0.782SS**  trans12159.8152.900000119.2
516E33.3Very low33.7Very low183 Ų183143.8 Ų143.886%0.85578%0.78SS**SBendtrans-145.624.5159.4-149.3163.2-142.300115
517L36.2Very low34.1Very low173 Ų173141.5 Ų141.591%0.90678%0.777SS**SBendtrans-112.40.9176.6-103.2167.9000114.7
518E36.1Very low34.6Very low170 Ų170140.5 Ų140.579%0.79478%0.78SS**SBendtrans-113.323.9-170-150-176.416500113.8
519L41.1Very low35.2Very low142 Ų142146 Ų14674%0.74378%0.781SS**SBendtrans-117.4-7.5-178.1-78.8171.4000115.4
520I43.2Very low35.6Very low145 Ų145146.7 Ų146.774%0.74478%0.776SS**SBendtrans-93-39.7-177.6-61.2179.4000111.9I522 H523I520-I522 PolarHBondContact O-N 2.87Å; I520-I522 VanDerWaalsContact O-N 3.16Å; I520-H523 PolarHBondContact O-N 3.48Å
521E43.8Very low35.6Very low134 Ų134149.3 Ų149.363%0.62678%0.781SS**THydrogen-bonded Turntrans-65.3-23.9-174.3-149.1-153.612300114K525E521-K525 IonicContact OE1-NZ 3.18Å; E521-K525 PolarHBondContact OE1-NZ 2.8Å
522I44.9Very low35.7Very low127 Ų127149.5 Ų149.565%0.65179%0.785SS**THydrogen-bonded Turntrans-79.2-26.6-177.3-61.4178.7000111.8I520I520-I522 PolarHBondContact O-N 2.87Å; I520-I522 VanDerWaalsContact O-N 3.16Å
523H38.6Very low35.9Very low149 Ų149150.4 Ų150.469%0.6978%0.782SS**THydrogen-bonded Turntrans-79.7-37.6-175.1-145.675.9000113I520 K525 H526I520-H523 PolarHBondContact O-N 3.48Å; H523-K525 PolarHBondContact O-N 3.19Å; H523-K525 VanDerWaalsContact O-N 3.14Å; H523-H526 PolarHBondContact O-N 2.82Å
524A41.7Very low35.7Very low82 Ų82146.7 Ų146.768%0.67879%0.786SS**THydrogen-bonded Turntrans-59-28.3-178.400000113.7H526A524-H526 PolarHBondContact O-N 3.22Å
525K40.3Very low35.6Very low158 Ų158151.1 Ų151.169%0.68779%0.785SS**THydrogen-bonded Turntrans-83.9-2.3-175.3-69.1167.5179.2169.80114.3E521 H523E521-K525 IonicContact OE1-NZ 3.18Å; E521-K525 PolarHBondContact OE1-NZ 2.8Å; H523-K525 PolarHBondContact O-N 3.19Å; H523-K525 VanDerWaalsContact O-N 3.14Å
526H35.3Very low35.4Very low159 Ų159152.2 Ų152.274%0.73678%0.78SS**SBendtrans-108.5-8.9-171-150.7-66000115.8H523 A524H523-H526 PolarHBondContact O-N 2.82Å; A524-H526 PolarHBondContact O-N 3.22Å
527T36.7Very low35Very low114 Ų114152.8 Ų152.870%0.69978%0.78SS**SBendtrans-89-34.3-177.4-51.70000113.2K529T527-K529 PolarHBondContact O-N 2.99Å
528L35.4Very low34.5Very low171 Ų171152.6 Ų152.690%0.89577%0.774SS**SBendtrans-81.553.9-178.2-71.3173.7000113.6
529K36.1Very low33.9Very low199 Ų199154.4 Ų154.487%0.86578%0.779SS**  trans-147.538.5172.2-137.2168-170.6171.70116.2T527T527-K529 PolarHBondContact O-N 2.99Å
530K33.9Very low33.2Very low192 Ų192154.2 Ų154.284%0.83578%0.779SS**  trans-14591.4164.2-89.2-176.6177.6175.30111.9
531F28.2Very low32.2Very low215 Ų215155.8 Ų155.894%0.94378%0.78SS**  trans177.9135130.1-99-68.3000108.9
532Q30.3Very low31.3Very low177 Ų177156.3 Ų156.383%0.82779%0.786SS**  trans-134.5142.8165.3-92.4-166.7-400108.4
533P32.8Very low30.2Very low120 Ų120158.1 Ų158.178%0.77979%0.792SS**  trans-79164.9171.133.5-34.6000112.4
534G25Very low29.8Very low80 Ų80158.9 Ų158.983%0.82580%0.8SS**  trans-73.9166.8177.900000114.7
535K27Very low29.3Very low205 Ų205161.1 Ų161.189%0.89181%0.808SS**  trans-111.2141-172-57.5178.4-179.1-179.20113.9
536S24.3Very low28.8Very low101 Ų101161.1 Ų161.171%0.70682%0.815SS**  trans174.6133.8154.2168.60000108.3
537K24.2Very low28.3Very low196 Ų196161.2 Ų161.285%0.85282%0.815SS**  cis-152.3172.21.8-111.6166.8-173.2174.40109.9
538H24.7Very low27.9Very low168 Ų168164.2 Ų164.278%0.77882%0.821SS**  trans-78.1157.4-171.8-68.5-108.3000116.5
539K24.3Very low27.4Very low209 Ų209163.6 Ų163.691%0.90981%0.812SS**  -158.3158.3111.6-106.2172.9-178-177.80113.1
540N25.6Very low26.9Very low137 Ų137162.4 Ų162.473%0.73381%0.809SS**  trans-80.8169.5-166.6-50.1-15.2000111.8
541K23.2Very low26.4Very low179 Ų179156.9 Ų156.978%0.77881%0.807SS**  -167.6135.657.1-161.8-179.7176.9-161.10107.5
542L24.9Very low26.3Very low144 Ų144157 Ų15775%0.75481%0.807SS**  48.6128.985.2-86.2161000112.4
543E21.9Very low26.3Very low165 Ų165156.4 Ų156.477%0.77181%0.806SS**  cis-145.5-179.731.1-62.7177.2122.600115
544L30.3Very low25.9Very low165 Ų165158.9 Ų158.986%0.86481%0.813SS**  trans-112.4162.9165.3-74.2169.1000109.6
545P31.7Very low26.3Very low130 Ų130162.8 Ų162.884%0.84481%0.807SS**  -145.9-178.8114.536.6-19.9000116.2
546L28.2Very low26.4Very low158 Ų158160.5 Ų160.583%0.82781%0.805SS**  trans-109.2-180-177-76.5159000111.2
547E26.4Very low26.6Very low160 Ų160165.2 Ų165.275%0.74881%0.813SS**  cis-115.2-102.84.8-75.7-174.59.500115.2
548E26.9Very low26.9Very low177 Ų177164 Ų16483%0.82782%0.815SS**  cis-151.2163.96.6-154.8175.6110.400113.9
549F26.3Very low26.9Very low158 Ų158164.9 Ų164.969%0.69382%0.816SS**  trans-8.8121.6-177.8-99.4-109000125.9
550E23.8Very low27.1Very low174 Ų174162.7 Ų162.781%0.81381%0.814SS**  34.4140.4129.2-55.1-156.8136.600125.2
551G25Very low27Very low76 Ų76160.9 Ų160.978%0.78481%0.807SS**  trans-162.634.4176.100000119.5
552K26.4Very low27.3Very low217 Ų217159.2 Ų159.294%0.94381%0.806SS**  trans47.8129167.8-73.8175.9179.9168.30120.8
553M29.5Very low27.4Very low165 Ų165159 Ų15981%0.81381%0.811SS**  trans-75.3160.3175.5-51.6177.9-165.300114.2
554N24.6Very low27.7Very low173 Ų173159.2 Ų159.293%0.92582%0.817SS**  trans-142.1154.9142.1-126.4-26.5000111
555K32.7Very low27.5Very low161 Ų161155 Ų15570%0.781%0.814SS**  trans-117.2154.6-167.7-71.3-178.6179175.80113.8
556N30.4Very low27.1Very low158 Ų158158 Ų15885%0.84581%0.813SS**  trans73.9145.2175.7-51.2-32.2000114.1
557K27.7Very low27Very low199 Ų199156.3 Ų156.387%0.86580%0.804SS**  cis-149.9147.316.2-149.2171.1-171.8175.30111.6
558L29.4Very low26.8Very low171 Ų171157.5 Ų157.590%0.89581%0.809SS**  trans-68.3149.2170.1-70.7160.7000111.8
559K25.1Very low26.7Very low186 Ų186152.9 Ų152.981%0.80981%0.809SS**  trans-155.8135.4142.1-145.8-175.4178.4-165.10113.2V561K559-V561 HydrophobicContact CD-CG2 3.52Å; K559-V561 VanDerWaalsContact CE-CG2 3.48Å; K559-V561 HydrophobicContact CG-CG2 3.79Å
560L29.6Very low26.7Very low164 Ų164155.8 Ų155.886%0.85982%0.822SS**  trans-114.8135.2168.1-172.4151.8000106.9
561V23.5Very low26.7Very low99 Ų99155.8 Ų155.860%0.682%0.819SS**  trans-147.3134.5-172.6-179.40000111.6K559K559-V561 HydrophobicContact CD-CG2 3.52Å; K559-V561 VanDerWaalsContact CE-CG2 3.48Å; K559-V561 HydrophobicContact CG-CG2 3.79Å
562L29.1Very low26.7Very low143 Ų143158.8 Ų158.875%0.74982%0.817SS**  trans-105.5171.3164-72.8168.2000110.6
563T27.1Very low26.7Very low139 Ų139151.7 Ų151.785%0.85381%0.806SS**  trans90.2156.7161.575.70000119.9
564N27.4Very low26.5Very low170 Ų170149.9 Ų149.991%0.90981%0.809SS**  trans-75155.7-168.3-63.4-41.1000114.9
565G26Very low26.8Very low76 Ų76145.7 Ų145.778%0.78479%0.794SS**  trans170.361.9164.200000122.5
566K23.3Very low26.6Very low193 Ų193145.9 Ų145.984%0.83980%0.802SS**  trans36.8137133.7-139.1-164.8174.5-178.50122.3
567I26.1Very low26.4Very low123 Ų123141.9 Ų141.963%0.63180%0.799SS**  trans101.7131.7150.2-55.2-165.6000120.1
568Q23.3Very low26.4Very low185 Ų185137.3 Ų137.386%0.86480%0.798SS**  trans53.6110.6160.3-74.415813.400120.6
569G25.2Very low26.2Very low80 Ų80133 Ų13383%0.82580%0.795SS**  trans-88.3-177.1160.500000113.6
570K25Very low26.3Very low219 Ų219130.3 Ų130.395%0.95280%0.8SS**  trans-137.7176.7163.5-132.5177.6-176.7-177.60110.1
571K25.3Very low26.2Very low174 Ų174127 Ų12776%0.75780%0.796SS**  trans-100.9174.2-152.6-151.9-171.2171.5-157.10112.8
572D23.9Very low26.4Very low139 Ų139127.2 Ų127.274%0.74381%0.808SS**  trans83.6130.2159.3-46-45.9000117.1
573G25.6Very low26.3Very low69 Ų69125.4 Ų125.471%0.71181%0.807SS**  cis166.8156.4-11.800000115
574S27.1Very low26.2Very low126 Ų126128.6 Ų128.688%0.88181%0.805SS**  trans66.1155.9168-850000118.5
575S30.1Very low26.2Very low86 Ų86129 Ų12960%0.60180%0.799SS**  cis-161.8167.9-7.144.30000112.4
576N27.4Very low26.3Very low164 Ų164134.1 Ų134.188%0.87780%0.802SS**  trans71.3139.5168.1-49.3-22.5000115.4
577G27.3Very low26.4Very low75 Ų75132.9 Ų132.977%0.77380%0.803SS**  cis159.4165-5.600000108.6
578A27.6Very low26.6Very low102 Ų102131 Ų13184%0.84381%0.807SS**  cis175.1138.4-14.800000105.7
579G26Very low26.8Very low81 Ų81128.2 Ų128.284%0.83580%0.802SS**  trans83.1158.1174.900000116
580S27.1Very low26.8Very low130 Ų130133.7 Ų133.791%0.90981%0.806SS**  cis-154.2164.4-11.8-161.60000111
581A27.7Very low26.9Very low94 Ų94126.4 Ų126.478%0.77779%0.794SS**  trans-87.5154.8-176.700000113.8
582A25.8Very low27.2Very low104 Ų104124.2 Ų124.286%0.8680%0.801SS**  trans-130.3159.6157.600000108.4
583S27.1Very low27.5Very low104 Ų104122.6 Ų122.673%0.72780%0.8SS**  trans-147.1167.8-162.5-169.20000114.2
584Y25.5Very low27.9Very low207 Ų207126 Ų12681%0.81280%0.801SS**  trans91.5138.3152.7-92.2-62.8000122.7
585K27.3Very low27.9Very low179 Ų179124.8 Ų124.878%0.77879%0.793SS**  trans88.587.6148-73.3171.8-176.4-176.10120.5
586H27.6Very low28Very low183 Ų183125.7 Ų125.785%0.84779%0.791SS**  23.1129.5106.8-107-87.2000118.8
587L25.7Very low28.2Very low166 Ų166125.3 Ų125.387%0.86979%0.788SS**  trans-158.5151.8135.1-112.7166.1000109.6
588A31.6Very low28.5Very low85 Ų85130 Ų13070%0.70279%0.79SS**  trans-154.2136.9-178.900000111.8
589T26.1Very low28.9Very low125 Ų125129.9 Ų129.977%0.76778%0.782SS**  trans-167.1120.9171.2-39.30000104.4
590E25.7Very low29.4Very low195 Ų195133.8 Ų133.891%0.91178%0.779SS**  81.3137.851.1-68.5-162.2161.600115.7
591G28.1Very low30.2Very low67 Ų67133.7 Ų133.769%0.69177%0.768SS**  trans121.1101.3-17500000112.3
592S30.7Very low30.5Very low128 Ų128137.1 Ų137.190%0.89577%0.768SS**  cis86.4145.946.7-60.10000113.6
593S30.4Very low31.1Very low105 Ų105137.2 Ų137.273%0.73475%0.754SS**  cis-177.2158.6-13.2-174.40000108.7
594L34.5Very low31.4Very low139 Ų139139.2 Ų139.273%0.72875%0.752SS**  cis-121.6-107.7-6.8-139173.3000109.9
595S27.3Very low31.8Very low102 Ų102136.2 Ų136.271%0.71375%0.748SS**  cis-161.1149.5-11.358.20000108.8
596D31.6Very low31.9Very low105 Ų105134.1 Ų134.156%0.56175%0.745SS**  cis-169.7-174.5-16.1-96.6-40.7000110.1
597L32.4Very low32.1Very low156 Ų156132.6 Ų132.682%0.81774%0.739SS**  trans82.9102.4-177.3-47.4178.9000114.1
598E32.6Very low32.5Very low174 Ų174130.6 Ų130.681%0.81373%0.734SS**  cis75.6133.940.7-55.1-172.8130.400114.3
599S36.4Very low33.1Very low98 Ų98131.9 Ų131.969%0.68574%0.735SS**  cis-156.1-175.2-7.160.30000108.6
600E36.2Very low34.5Very low163 Ų163131.1 Ų131.176%0.76273%0.732SS**  cis-107.9-1615.4-38.5-67.827.700110.2
601D43Very low35.3Very low128 Ų128127.8 Ų127.868%0.68473%0.727SS**  cis70.4164.84.3-94.4-49.4000120.8L603D601-L603 VanDerWaalsContact OD1-CD2 3.24Å; D601-L603 WeakPolarHBondContact OD1-CD2 3.5Å; D601-L603 PolarHBondContact OD1-N 3.41Å
602E35.7Very low35.5Very low167 Ų167136 Ų13678%0.7874%0.737SS**  cis-118.3135.77.5-78.7-168.398.600116.2
603L37.8Very low35.4Very low106 Ų106141.8 Ų141.856%0.55574%0.74SS**  42.3151.9120.4-44.7-176.3000122.2D601D601-L603 VanDerWaalsContact OD1-CD2 3.24Å; D601-L603 WeakPolarHBondContact OD1-CD2 3.5Å; D601-L603 PolarHBondContact OD1-N 3.41Å
604Q34Very low35.6Very low146 Ų146146.2 Ų146.268%0.68275%0.746SS**  cis-173151-7.2-118.2179.89.300114.1
605I33.3Very low36Very low144 Ų144145.8 Ų145.874%0.73875%0.751SS**  trans44.8163.3156.138.4166.1000122
606D29.3Very low36Very low134 Ų134145.6 Ų145.672%0.71776%0.756SS**  cis-155.8175.720.6-148.6-3.8000117.2
607E31.1Very low36Very low151 Ų151144.1 Ų144.171%0.70677%0.765SS**  trans37.6101.5159-73.6-150.5125.400126.3
608T33.7Very low36.4Very low124 Ų124142.7 Ų142.776%0.76177%0.765SS**  50.1-172.8120.786.40000122.5
609P45.8Very low36.3Very low112 Ų112141.1 Ų141.173%0.72776%0.763SS**  -132.4-140.8-123.334.2-5.6000116.8
610P54Low36.1Very low110 Ų110144.6 Ų144.671%0.71477%0.765SS**  -107.6-172-101.242.7-27.6000114
611P43Very low35.7Very low125 Ų125145.6 Ų145.681%0.81277%0.767SS**  -157.7167.494.140.2-20.2000119.3
612R33.6Very low35Very low238 Ų238148.9 Ų148.990%0.89878%0.775SS**  trans-50.5160.5171.6-55.7161.6168.8155.1-5116.5
613R28.7Very low34.6Very low251 Ų251150.5 Ų150.595%0.94778%0.78SS**  -159.4150.1127.9-107.5156.9-162.3-157.14.1114.4
614K34.3Very low34.2Very low198 Ų198153.6 Ų153.686%0.86180%0.796SS**  trans-94.4171.3163.6-62.1-174.9178.2-173.80109.3
615P43Very low33.9Very low130 Ų130152.4 Ų152.484%0.84480%0.804SS**  -145.4-177106.139.4-25.3000114.9
616A27.3Very low33.6Very low98 Ų98149.1 Ų149.181%0.8181%0.806SS**  trans-104.4164167.800000110.9
617G30Very low33.5Very low73 Ų73150.9 Ų150.975%0.75381%0.814SS**  trans-95.5171.8-179.300000115.2
618P42.1Very low33.6Very low126 Ų126148.9 Ų148.982%0.81881%0.814SS**  trans-143.2114.4153.935.6-17.7000116.5
619N30.2Very low33.4Very low142 Ų142155.1 Ų155.176%0.75982%0.824SS**  35.4106.5125.5-154.8-5.8000121.3
620K31Very low32.7Very low170 Ų170159 Ų15974%0.73983%0.829SS**  157.7131.4122.3-86.6160.9-173.4165.70117.4
621K29Very low31.6Very low185 Ų185161.9 Ų161.980%0.80484%0.837SS**  trans56.8121.7143.9-61.9178.7178.7-177.10118.6
622K28.5Very low31Very low196 Ų196162.2 Ų162.285%0.85284%0.84SS**  172.9163.466.6-126.9169.4-177.6-179.90113
623K26.9Very low30.8Very low201 Ų201162.6 Ų162.687%0.87484%0.841SS**  trans75.7140.3159.9-81-169.8169.9-172.10120.5
624L29.9Very low30.7Very low171 Ų171155.1 Ų155.190%0.89583%0.833SS**  trans-100.9143.4171.1-64.974000110.6
625S27.9Very low30.4Very low122 Ų122155.3 Ų155.385%0.85383%0.834SS**  trans177.9134135.851.70000107.8
626G26.2Very low29.9Very low75 Ų75154.3 Ų154.377%0.77383%0.827SS**  cis112.269.714.400000110.4
627L28.1Very low29.9Very low171 Ų171155.9 Ų155.990%0.89583%0.831SS**  trans-130.3144.6178.4-82.3171.1000110.7
628P32.1Very low29.9Very low108 Ų108157.1 Ų157.170%0.70183%0.828SS**  trans-91.8149-169.635.7-35.1000113.2
629R31Very low29.6Very low255 Ų255157.2 Ų157.296%0.96282%0.822SS**  trans-89.6127.8154.4-74178.8171.9155.4-3.2108.4
630K30.2Very low30.1Very low195 Ų195156 Ų15685%0.84882%0.822SS**  trans-123.2136.5167.4-86.8-162172.2-169.60109.9
631L31.7Very low30.6Very low169 Ų169154.8 Ų154.889%0.88582%0.823SS**  trans-63136175.5-61.6160.6000111
632P29.8Very low31Very low132 Ų132155.2 Ų155.286%0.85782%0.82SS**  trans-77.3132.115631.6-29.5000109.4
633R29Very low31.6Very low246 Ų246153.1 Ų153.193%0.92882%0.816SS**  trans-118.5137.9169.4-176.5171.8174.2129.2-1.1109
634A27Very low31.9Very low94 Ų94150 Ų15078%0.77780%0.799SS**  trans-59.2157-167.400000115.6
635K28.2Very low32.3Very low202 Ų202149 Ų14988%0.87879%0.79SS**  trans-134.6158.5158.2-85.2-139170.3-170.50109.9
636P32.1Very low32.5Very low109 Ų109149.3 Ų149.371%0.70879%0.789SS**  trans-100.7159.2-140.337-36.6000114.7
637C28Very low33.5Very low131 Ų131149.5 Ų149.589%0.88579%0.791SS**  trans-100.4146.5150.6-167.10000108.7
638S29.8Very low33.6Very low100 Ų100148.8 Ų148.870%0.69978%0.783SS**  trans-134.1104.3-179.7-62.40000109.6
639D34.5Very low33.6Very low127 Ų127148.4 Ų148.468%0.67978%0.779SS**  trans-93.1120.7158.8-167.6-51.5000108.5N641D639-N641 VanDerWaalsContact C-N 3.34Å; D639-N641 PolarHBondContact O-N 2.85Å; D639-N641 PolarHBondContact OD1-N 2.81Å
640P42Very low33.5Very low118 Ų118143.7 Ų143.777%0.76677%0.772SS**THydrogen-bonded Turntrans-74-12.5-173.7-19.333.7000116.4
641N41.4Very low33.4Very low144 Ų144143.2 Ų143.277%0.7777%0.771SS**THydrogen-bonded Turntrans-104.84.9-162-77.8-28.8000116.4D639 I643D639-N641 VanDerWaalsContact C-N 3.34Å; D639-N641 PolarHBondContact O-N 2.85Å; D639-N641 PolarHBondContact OD1-N 2.81Å; N641-I643 PolarHBondContact O-N 2.89Å; N641-I643 VanDerWaalsContact O-N 3.11Å
642R36.6Very low33.2Very low193 Ų193143.1 Ų143.173%0.72877%0.771SS**  trans-82.386.2175.8-166.9-179.3-174.4179.66.6112.6
643I40.6Very low33.1Very low152 Ų152143.6 Ų143.678%0.77977%0.765SS**  trans-70.3141.2156.5-62.3178.6000108.1N641N641-I643 PolarHBondContact O-N 2.89Å; N641-I643 VanDerWaalsContact O-N 3.11Å
644R34Very low33.1Very low135 Ų135141.3 Ų141.351%0.50977%0.765SS.*  trans-128.7117.2-177.4-174.5179.8-164.6145.211.1110.3E648R644-E648 PolarHBondContact NH2-O 3.03Å
645E38.5Very low33.2Very low150 Ų150145.3 Ų145.370%0.70177%0.768SS**  trans-70.6150.6172-72.6-59.1135.200111.6G647E645-G647 PolarHBondContact O-N 3.38Å; E645-G647 VanDerWaalsContact O-N 3.14Å
646P31Very low33.2Very low129 Ų129143 Ų14384%0.83876%0.764SS**THydrogen-bonded Turntrans-83.793.3-173.5-524.4000111.7
647G48.1Very low32.8Very low79 Ų79147.4 Ų147.481%0.81477%0.769SS**THydrogen-bonded Turntrans178.4-23.817000000117.3E645E645-G647 PolarHBondContact O-N 3.38Å; E645-G647 VanDerWaalsContact O-N 3.14Å
648E30.3Very low32.9Very low157 Ų157147.4 Ų147.473%0.73476%0.764SS**  trans-111.8125.6-156.4-162.5171.1-114.400114.4R644R644-E648 PolarHBondContact NH2-O 3.03Å
649V30.9Very low32.8Very low100 Ų100147.9 Ų147.961%0.60676%0.763SS**  trans-15296.4158.9-89.60000108.5
650D29.2Very low32.5Very low155 Ų155148.3 Ų148.383%0.82977%0.766SS**  trans-95.5155.3152.6-84.5-51.1000109.7
651F28.4Very low31.8Very low186 Ų186150.8 Ų150.882%0.81677%0.767SS**  trans-116.9108.1176.3-75-102.7000107.8
652D27Very low31.3Very low166 Ų166150.8 Ų150.889%0.88876%0.763SS**  trans-92.6146.6163.1-82.6-52.9000110.7
653I29.6Very low31Very low142 Ų142146.2 Ų146.273%0.72876%0.756SS**  trans-110.1123.4-177-62.1167.5000107.4E655I653-E655 HydrophobicContact CG2-CG 4.22Å
654E28Very low30.5Very low199 Ų199146.4 Ų146.493%0.9376%0.758SS**  trans-124108.7157.3-70.8-169.9146.500108.3
655E29.4Very low30.3Very low178 Ų178144.6 Ų144.683%0.83277%0.772SS**  trans-85.3134.7157.8-59.8-179.7132.100107.2I653I653-E655 HydrophobicContact CG2-CG 4.22Å
656D27Very low29.9Very low152 Ų152141.9 Ų141.981%0.81378%0.775SS**  trans-156.3165.1134.4-135.5-30.4000113.2
657Y25.4Very low29.7Very low203 Ų203145.4 Ų145.480%0.79678%0.78SS**  trans-73.5150.9-175.4-77.1-120.9000113
658T28.8Very low28.7Very low130 Ų130145.5 Ų145.580%0.79878%0.78SS**  -177.5118.7116.923.20000114.8
659T28.4Very low28.7Very low110 Ų110144.5 Ų144.568%0.67579%0.785SS**  trans40.6128.513344.40000124.2
660D27.1Very low28.6Very low137 Ų137149.5 Ų149.573%0.73380%0.799SS**  91.5130.7128.5-58.7-5.6000123.7
661E28.7Very low28.5Very low170 Ų170145.9 Ų145.979%0.79480%0.798SS**  45.4142.7125.2-56.6-89.888.100120.5
662E30.7Very low28.5Very low144 Ų144141.1 Ų141.167%0.67380%0.801SS**  cis-166-176-12.4-155.7-137.7138.500108.7
663T30Very low28.9Very low96 Ų96138.6 Ų138.659%0.58980%0.803SS**  trans71.3111.5158640000124.1
664L29.5Very low28.9Very low157 Ų157135.5 Ų135.582%0.82281%0.807SS**  63107.7116.6-60170000124.4
665A29.9Very low29.1Very low97 Ų97129.9 Ų129.980%0.80280%0.802SS**  90.7178.7112.400000122.3
666A30.6Very low29.6Very low93 Ų93129.8 Ų129.877%0.76981%0.805SS**  trans81.687.317500000120.4
667H27.5Very low29.8Very low203 Ų203130.6 Ų130.694%0.9481%0.809SS**  trans-11.1136.5148.5-60.7-92.3000120.2
668G27.3Very low30.2Very low80 Ų80128.1 Ų128.183%0.82581%0.809SS**  trans-153.4114168.900000114.9
669V29.1Very low30.6Very low137 Ų137129.3 Ų129.383%0.8381%0.81SS**  trans-69.2140.5-164.1173.10000117
670K28.3Very low30.7Very low205 Ų205132.7 Ų132.789%0.89182%0.823SS**  trans-0.1138.5154.1-54.5170.4180173.20119.8
671G28.1Very low30.8Very low79 Ų79134.7 Ų134.781%0.81483%0.825SS**  143.1152.5122.700000119.2
672G29Very low31Very low85 Ų85131.1 Ų131.188%0.87683%0.825SS**  trans93113.2152.400000118
673A33.8Very low30.8Very low114 Ų114129.4 Ų129.494%0.94283%0.829SS**  trans-94155.7170.700000112.1
674G30.5Very low30.6Very low77 Ų77133.1 Ų133.179%0.79484%0.836SS**  trans176.6113.516700000117.5
675G31.3Very low30.6Very low81 Ų81134 Ų13484%0.83584%0.837SS**  trans61.8100.4137.400000121.4
676I39.9Very low30.6Very low175 Ų175135.4 Ų135.490%0.89784%0.835SS**  trans-87.7104.4150.2-64.6172.5000108.1
677L32.5Very low30.5Very low169 Ų169135.3 Ų135.389%0.88583%0.834SS**  trans-165.653.4155.9-160.270.3000113
678D33.1Very low30.3Very low151 Ų151128.7 Ų128.781%0.80782%0.82SS**  trans-151.8174.1163.6-140.3-32.6000111.3
679L37.7Very low30.3Very low155 Ų155132.5 Ų132.581%0.81282%0.821SS**  trans69.631.4178.1-64.6161.5000116.8K681L679-K681 PolarHBondContact O-N 3.21Å
680L31.1Very low30.2Very low182 Ų182132.4 Ų132.495%0.95382%0.816SS**  trans-8562.9148.7-105174.1000110.2
681K28.5Very low30.1Very low179 Ų179128 Ų12878%0.77881%0.811SS**  trans-159.4145.8177-115172.3-177.3174.70110.7L679L679-K681 PolarHBondContact O-N 3.21Å
682A31.8Very low29.9Very low95 Ų95129 Ų12979%0.78581%0.811SS**  trans65.7110-165.900000112
683S26.6Very low30Very low108 Ų108128.8 Ų128.876%0.75580%0.802SS**  cis60.9126.234.7-155.90000110.3
684K26.9Very low29.9Very low173 Ų173131.1 Ų131.175%0.75280%0.797SS**  cis157166.714.2170.7-173.2178.7-175.80103
685Q29.9Very low29.8Very low177 Ų177132 Ų13283%0.82779%0.792SS**  trans75152.2177.2-44.9-176.2-80.200113.3
686V29.4Very low29.8Very low125 Ų125136.5 Ų136.576%0.75879%0.791SS**  cis-155.4164.5-8111.60000109.8
687A27.3Very low29.1Very low91 Ų91135.8 Ų135.875%0.75278%0.784SS**  trans17.3149.5162.800000121.9
688G24.8Very low29.1Very low64 Ų64131 Ų13166%0.6677%0.769SS**  cis118.6169.315.100000111.4
689L27.1Very low29.6Very low161 Ų161130 Ų13084%0.84377%0.77SS**  trans72.2155.7-176.4-48.3176.8000115.5
690D26.1Very low29.2Very low135 Ų135127.1 Ų127.172%0.72277%0.769SS**  cis-172.2171.8-46.9-112.9-44.4000110.1
691S25.7Very low29.3Very low111 Ų111123.5 Ų123.578%0.77676%0.759SS**  trans78.7132.7175.5-370000115.2
692A25.1Very low30Very low100 Ų100120.5 Ų120.583%0.82676%0.758SS**  cis78.8148.229.800000113.7
693A30.9Very low30.1Very low82 Ų82121.5 Ų121.568%0.67876%0.759SS**  cis-161.2179.718.700000114.5
694L31Very low31Very low162 Ų162123.1 Ų123.185%0.84877%0.765SS**  trans77.3152.7155-62171.5000119.1
695S28.4Very low31.4Very low97 Ų97125.7 Ų125.768%0.67877%0.77SS**  cis168.9173.8-29-106.50000109.3
696E31.2Very low31.9Very low175 Ų175124.8 Ų124.882%0.81877%0.77SS**  cis-107-136.8-9.2-62.3-176.3116.900108.3
697E27.2Very low32.3Very low160 Ų160123.6 Ų123.675%0.74877%0.774SS**  cis-154.4-177.2-9.8-138.1-59.272.400107.5
698A31.6Very low33Very low69 Ų69126.5 Ų126.557%0.5778%0.775SS**  trans-134.7-154.4-169.600000113.3
699P43.1Very low33.4Very low128 Ų128132.2 Ų132.283%0.83178%0.784SS**  cis-122.515945.226.9-6.1000116.2
700A29.3Very low34Very low95 Ų95128 Ų12879%0.78578%0.78SS**  trans-91.7-174.7175.400000111.9
701S34.4Very low34.2Very low107 Ų107130.5 Ų130.575%0.74879%0.789SS**  cis-169.7-161.528.560.10000108.3
702P42.3Very low34.4Very low116 Ų116133.6 Ų133.675%0.75380%0.796SS**  cis-137.6-117.8-1.440.4-17000113.5
703S34.7Very low34.6Very low115 Ų115134.1 Ų134.180%0.80479%0.794SS**  trans7326.5168-156.10000121.1
704T44.2Very low34.5Very low143 Ų143139 Ų13988%0.87781%0.805SS**  trans-132.576.8168.6-46.10000111.3
705R36.4Very low34.4Very low227 Ų227135 Ų13586%0.85780%0.795SS**SBendtrans-134.7-35.6-178.9-154.7166.2-171.6144.23.8116.6
706D40.4Very low34.3Very low158 Ų158138.3 Ų138.385%0.84581%0.805SS**THydrogen-bonded Turntrans-101.311.5-165.9-56.2-31.8000115.3
707A37.3Very low35.1Very low100 Ų100134.9 Ų134.983%0.82680%0.798SS**THydrogen-bonded Turntrans-87.83.2178.700000114.5
708I41.3Very low35.4Very low152 Ų152132.8 Ų132.878%0.77980%0.798SS**SBendtrans-120.170.4-179-47.6179.7000110.7
709Q34.8Very low35Very low184 Ų184134.4 Ų134.486%0.8681%0.805SS**SBendtrans-157.236.8156.7-160.455.420.100112
710G39.2Very low34.2Very low72 Ų72133.4 Ų133.474%0.74280%0.801SS**SBendtrans-81.3-83.7-169.200000115.6
711M30.2Very low34Very low187 Ų187133.6 Ų133.692%0.92180%0.797SS**  trans-139.489.8-166.8-64.9-169.3-63.100113.4
712L29.4Very low33.5Very low177 Ų177133.7 Ų133.793%0.92780%0.798SS**  trans-90.9114.3150.8-81.2169.6000108.1
713S29.3Very low32.8Very low110 Ų110133 Ų13377%0.76980%0.796SS**  trans-161.995.8168.9-83.80000113.3
714M28.6Very low32.3Very low186 Ų186132.8 Ų132.892%0.91679%0.794SS**  trans61.2156.7147.6-44.9-55.9-80.700120.5
715A28.3Very low31.4Very low77 Ų77131.5 Ų131.564%0.63679%0.791SS**  -176.2108.8-52.400000110.4
716N27Very low31.2Very low166 Ų166126.6 Ų126.689%0.88879%0.791SS**  trans63.9165.1148.5-82.2-10.2000121.8
717P47.1Very low30.5Very low103 Ų103124.8 Ų124.867%0.66979%0.791SS**  trans-111.9-169.1-150.843.4-35.8000115
718P33.4Very low30Very low117 Ų117125.3 Ų125.376%0.7679%0.789SS**  -148.4143.395.438.5-21.4000118.6
719S23.8Very low30.1Very low102 Ų102123.8 Ų123.871%0.71379%0.789SS**  47.3123.3129.4-51.20000124.8
720S25.7Very low29.7Very low107 Ų107123.3 Ų123.375%0.74879%0.791SS**  93.3138.911968.40000124.3
721S25.2Very low29.3Very low100 Ų100124.8 Ų124.870%0.69979%0.79SS**  trans70.6106.8146.350.20000123
722S25.5Very low29.3Very low109 Ų109124.2 Ų124.276%0.76279%0.789SS**  87.3122.6116.6-56.90000122.7
723S25.9Very low29.5Very low101 Ų101121.1 Ų121.171%0.70678%0.782SS**  trans66.5102.2136.560.40000122
724S25Very low29.4Very low111 Ų111120.1 Ų120.178%0.77679%0.789SS**  86.3144.1113.3-56.70000122.2
725S25.2Very low29.3Very low116 Ų116114.9 Ų114.981%0.81178%0.783SS**  trans85.5108.7151-58.70000119.7
726S32.5Very low29.2Very low123 Ų123118.9 Ų118.986%0.8679%0.793SS**  trans-53.9155.2156.155.30000114.1
727S25Very low29.2Very low120 Ų120116.3 Ų116.384%0.83978%0.783SS**  trans-141152.7161.156.70000113.2
728S26.8Very low28.2Very low112 Ų112120.7 Ų120.778%0.78380%0.795SS**  trans-81.3161.7179-58.70000112.1
729P43.7Very low27.9Very low120 Ų120119 Ų11978%0.77980%0.798SS**  trans-74.4153.8171.332.6-36.9000112.4
730L26.9Very low27.9Very low173 Ų173122.3 Ų122.391%0.90681%0.807SS**  -171.3172.2128.3-101.2169.6000110.7
731S30.1Very low27.8Very low103 Ų103121.5 Ų121.572%0.7281%0.806SS**  trans-116.8177.7-160.2-49.50000114.9
732I30.2Very low27.8Very low176 Ų176120.8 Ų120.890%0.90381%0.807SS**  trans99.4146.2164.7-56.3175.3000115
733S33.9Very low27.8Very low112 Ų112121.9 Ų121.978%0.78381%0.809SS**  trans-134.1136.2-153.6540000114.6
734G27.6Very low27.7Very low88 Ų88126.7 Ų126.791%0.90782%0.817SS**  trans92.3136152.600000118.2
735G26.1Very low27.7Very low77 Ų77128.6 Ų128.679%0.79481%0.813SS**  trans129.964157.100000119.9
736L27.4Very low27.9Very low161 Ų161131.7 Ų131.784%0.84381%0.812SS**  trans37.8146.2142.6-76.7162.7000125
737T26.4Very low27.5Very low111 Ų111129.7 Ų129.768%0.68181%0.811SS**  trans71.4114.7149.245.30000122.9
738E26.5Very low27.5Very low196 Ų196127.9 Ų127.992%0.91681%0.811SS**  trans48.4142.5133-57.7-172.111100123.1
739G26.1Very low27.4Very low80 Ų80133.4 Ų133.483%0.82582%0.815SS**  trans161.994.9166.300000117.3
740L24.3Very low26.5Very low173 Ų173133.9 Ų133.991%0.90682%0.816SS**  trans-52.8155.5176.2-81.6155.8000118.7
741A23.3Very low26.3Very low89 Ų89130 Ų13074%0.73680%0.799SS**  trans82.8119.5134.100000124.3
742A24.7Very low26Very low86 Ų86136 Ų13671%0.71181%0.806SS**  74.9125.4116.200000124.4
743V25.5Very low25.7Very low131 Ų131133.8 Ų133.879%0.79480%0.8SS**  51.2120123.4-177.60000119.8
744K25Very low25.3Very low203 Ų203134.7 Ų134.788%0.88380%0.802SS**  -169.4171.6101.1-141.3146.6-175.2172.80115.3
745E24.8Very low25.1Very low150 Ų150134.4 Ų134.470%0.70180%0.799SS**  trans-121.4176.9-173.7-174.7-118.4166.400110.2
746K27.9Very low25Very low182 Ų182134.2 Ų134.279%0.79180%0.796SS**  trans83148.9172.9-48.7-177.4-175.9-177.10116.2
747G24.2Very low25.1Very low81 Ų81134.4 Ų134.484%0.83580%0.796SS**  cis155.6154.8-7.600000112.9
748G26.3Very low25Very low82 Ų82137.9 Ų137.985%0.84580%0.802SS**  trans-169.1129.5176.800000112.3
749R24.2Very low25.1Very low228 Ų228137.4 Ų137.486%0.8680%0.797SS**  trans-158.6117.7-165.3177-166.2-178.5-165.53.1113.4
750T24.5Very low25Very low129 Ų129139.6 Ų139.679%0.79180%0.795SS**  trans-168.8132.3163.415.60000106.7
751V23.2Very low25.1Very low92 Ų92136.4 Ų136.456%0.55879%0.793SS**  cis65.3127.223.5-157.10000110.8
752W23.2Very low25.1Very low230 Ų230139.4 Ų139.487%0.87180%0.797SS**  cis-125.5-163.629-55.374.6000111
753V25.5Very low25.9Very low128 Ų128139.8 Ų139.878%0.77679%0.792SS**  cis-149.7172.55.180.70000111.7
754T24.3Very low26Very low132 Ų132140 Ų14081%0.8178%0.784SS**  trans-85.4158.8-179.753.10000114.8
755G23.8Very low26.1Very low82 Ų82137.4 Ų137.485%0.84577%0.773SS**  trans176.2143.1158.200000114.1
756G24.8Very low26.1Very low72 Ų72139.8 Ų139.874%0.74278%0.781SS**  trans-169.6158.7176.400000116.1
757I28.1Very low26Very low165 Ų165135 Ų13585%0.84678%0.775SS**  trans65.9112.8165.1-47.9174.9000117.4
758K26Very low26.1Very low185 Ų185137.2 Ų137.280%0.80477%0.772SS**  -175133.5122.1-101.9161.5-172.8173.50112.1
759K27.8Very low26.2Very low186 Ų186139.4 Ų139.481%0.80976%0.763SS**  trans46156.1133-65.6-168.2175-169.70120.8
760T24.2Very low26.4Very low126 Ų126135.8 Ų135.877%0.77376%0.756SS**  cis-176.6143.4-18.332.70000106.8
761A25.5Very low26.8Very low105 Ų105140.8 Ų140.887%0.86876%0.761SS**  trans-167.3153147.400000112.6
762N23.3Very low27.5Very low153 Ų153142.5 Ų142.582%0.81877%0.773SS**  trans-121.5-167.4166.9-152.724.9000104.4
763P42.9Very low27.8Very low94 Ų94134.8 Ų134.861%0.6177%0.765SS**  cis-149.2-173.95.245.2-23.5000118.5
764E26.4Very low28.1Very low135 Ų135138.4 Ų138.463%0.63177%0.771SS**  trans82.4130.8138.7-85.8-176.2-178.800125.8
765K27Very low28.3Very low148 Ų148142.5 Ų142.564%0.64377%0.771SS**  trans55.3128.9134.7-67.4166.3-166.81560121.8
766K25.5Very low28.4Very low200 Ų200144.9 Ų144.987%0.8776%0.762SS**  trans43.8144132-50.1-176175.2-179.90118.4
767A25.2Very low28.6Very low81 Ų81148 Ų14867%0.66976%0.76SS**  cis-176.1170.240.900000113.8
768V27Very low28.5Very low128 Ų128149.5 Ų149.578%0.77676%0.761SS**  trans75.1138.5130.4148.60000117.6
769I28.7Very low28.6Very low128 Ų128152 Ų15266%0.65677%0.765SS**  cis171.61647.3-110.6-179.4000105.1
770Q28.6Very low29.2Very low153 Ų153149.5 Ų149.572%0.71577%0.768SS**  cis-152.3158.3-7.6-98.3166.613.400107
771R31.6Very low29.4Very low234 Ų234148 Ų14888%0.88377%0.768SS**  69.9159.452.7-68.8-171.9171.6-169.4-1.2115.9
772P38.8Very low29.6Very low127 Ų127155.3 Ų155.383%0.82577%0.773SS**  cis-124.9-163.8-8.343-27.5000113.3
773G28.5Very low30Very low68 Ų68156.1 Ų156.170%0.70177%0.771SS**  cis127.386.7-30.400000120.3
774K32.8Very low29.3Very low205 Ų205158.5 Ų158.589%0.89178%0.778SS**  trans-179.7138.8164.9-105.6164.5-174.4-179.70116.6
775R28.7Very low29.3Very low218 Ų218156.6 Ų156.682%0.82378%0.779SS**  trans43158.3137-70.3-165166.7-166-5.2123.8
776M24.7Very low29.4Very low132 Ų132156.8 Ų156.865%0.6579%0.787SS**  cis-178.3167.8-19.7-106.3171.66300113.1
777I28.8Very low29.5Very low136 Ų136155.6 Ų155.670%0.69779%0.785SS**  trans103.6135140.9-106.1170.8000124.7
778K26.6Very low29.7Very low198 Ų198159.4 Ų159.486%0.86179%0.789SS**  trans76.5155.4155.7-82.2178.7179.1-178.60125.1
779R27.8Very low29.7Very low237 Ų237158 Ų15889%0.89479%0.785SS**  trans-119.6166.2175.7-68.5178171.2169.3-5.3110.7
780P39.9Very low31Very low133 Ų133156.8 Ų156.886%0.86479%0.785SS**  -144-156.4105.939.7-23.8000113.8
781A30Very low31Very low94 Ų94156.7 Ų156.778%0.77779%0.789SS**  trans-159.7152.5-175.500000114.9
782R29.9Very low31.1Very low259 Ų259153.7 Ų153.798%0.97779%0.786SS**  trans-176.6-165.9145.9-105.1175.4-176.9-160.9-0113.6
783H29.7Very low30.6Very low170 Ų170154.5 Ų154.579%0.78778%0.778SS**  trans-108.9159.3-149.7-124.3-123.2000116.1
784I28.3Very low31Very low145 Ų145158.5 Ų158.574%0.74478%0.779SS**  trans85.7146.6148.6-79.5161.4000122
785S27.7Very low31.2Very low94 Ų94153 Ų15366%0.65776%0.763SS**  trans79.6119.7163.146.90000122.5
786D28.3Very low31.5Very low152 Ų152150.7 Ų150.781%0.81377%0.766SS**  trans78.6123.4134.4-52.5-6.2000124.6
787E29Very low31.9Very low175 Ų175146.9 Ų146.982%0.81876%0.76SS**  trans57.4140142.6-63.3-69.772.300125.6
788E29.1Very low32.3Very low161 Ų161146.8 Ų146.875%0.75277%0.766SS**  trans56.6122.4147.9-91.7-143.994.400124.8
789S27Very low32.4Very low99 Ų99142.2 Ų142.269%0.69276%0.758SS**  trans76.2175.7131-113.90000118.4
790P54.4Low32.6Very low103 Ų103139.3 Ų139.367%0.66975%0.752SS**  -131.3-172.4-113.941-21.9000117.4
791D30.5Very low32.3Very low150 Ų150142 Ų14280%0.80275%0.75SS**  trans89.9147.4157.7-72.6-35.2000122.6
792E32.1Very low32.4Very low172 Ų172143.9 Ų143.980%0.80475%0.747SS**  trans62.4112.5157.9-71.7-175.117100124.5
793Q29.7Very low32.6Very low143 Ų143137 Ų13767%0.66874%0.739SS**  85.5115.7116.3-168145.8-1100123.4
794E35.3Very low32.9Very low153 Ų153135.6 Ų135.672%0.71574%0.737SS**  trans62.8166146-82.4-162.197.200120.5
795T36.7Very low33.3Very low90 Ų90139.2 Ų139.255%0.55274%0.743SS**  cis-162136.2-18.1-109.10000110.9
796L35.1Very low33.4Very low169 Ų169141.4 Ų141.489%0.88575%0.752SS**  trans55159.5163.1-66.7167.6000119.5
797G33.4Very low33.7Very low51 Ų51144.4 Ų144.453%0.52675%0.753SS.*  cis152.6166.9-8.600000113.4
798T37.8Very low34.1Very low135 Ų135142 Ų14283%0.82875%0.753SS**  trans68.8158.5165.976.20000117.3
799C29.7Very low34Very low102 Ų102139.3 Ų139.369%0.68975%0.752SS**  cis-174.3-180-21.5-97.80000106.7
800F30.3Very low34.4Very low176 Ų176141.5 Ų141.577%0.77276%0.755SS**  cis-161.3172.33.2-133.8-63.7000108.3
801K33.4Very low33.2Very low188 Ų188144.3 Ų144.382%0.81776%0.759SS**  trans104.8151144.3-90.4-170.6174.4-1580121.3
802D33.6Very low33.2Very low134 Ų134142.8 Ų142.872%0.71776%0.76SS**  trans-131.5156.7-150-23.7-99.3000112.4
803S34Very low33.6Very low115 Ų115141.7 Ų141.780%0.80476%0.76SS**  trans-161.586.9155.3620000112.2
804D35Very low34.1Very low140 Ų140142.8 Ų142.875%0.74977%0.765SS**  trans21.5108.4155.3-57.1-47.2000121.6
805Y37.2Very low34.2Very low222 Ų222144 Ų14487%0.87177%0.77SS**  trans54.6116.8144.4-71.2-85.1000121.8
806V30.7Very low34.1Very low139 Ų139145.5 Ų145.584%0.84278%0.775SS**  trans-129.4135.1168172.20000109.2
807Y33.5Very low33.9Very low215 Ų215144.1 Ų144.184%0.84376%0.764SS**  trans-94154.1162.9-101.8-98000109.6
808P36.8Very low33.8Very low125 Ų125148 Ų14881%0.81277%0.772SS**  trans-69.8134.9-170.7-19.933.5000114.9
809S27.3Very low33.6Very low104 Ų104147.2 Ų147.273%0.72776%0.762SS**  trans-144.2152.5166.9-68.80000109.2
810L35.2Very low33.7Very low146 Ų146150.4 Ų150.476%0.76476%0.764SS**  cis-139-109.8-20.5-107.5166.6000108.3
811E30.6Very low33.9Very low162 Ų162147.4 Ų147.476%0.75776%0.761SS**  cis-167.9108.5-14.5-146.6144.7-106.700110.1
812S30.6Very low33.9Very low118 Ų118147.4 Ų147.483%0.82576%0.76SS**  trans-163.1139.3160.870.10000112.9
813D40.8Very low33.8Very low148 Ų148148 Ų14879%0.79176%0.761SS**  trans-83.5-167.6-174.6-68.7-69.7000112.7
814E40Very low33.7Very low167 Ų167150.4 Ų150.478%0.7876%0.757SS**  cis-161.7155.627.558.9-147101.400116
815E36.9Very low33.6Very low177 Ų177153.4 Ų153.483%0.82776%0.758SS**  trans59.8146.7153.7-75.3-174.5179.800122.3
816D35.3Very low33.3Very low122 Ų122151.9 Ų151.965%0.65276%0.756SS**  cis-162.5172.6-17.9-156.2-11.3000112.6
817H30.1Very low33.5Very low141 Ų141152.9 Ų152.965%0.65375%0.748SS**  trans8096.5152.8-78.220.3000123.5
818I31.7Very low33.2Very low133 Ų133149.3 Ų149.368%0.68274%0.744SS**  57.3115.3121-60.8159.1000118.4
819N32.3Very low32.8Very low117 Ų117152.3 Ų152.363%0.62674%0.739SS**  178.3143.775.5-133.2-32.9000114.7
820K33Very low32.9Very low170 Ų170154.5 Ų154.574%0.73974%0.743SS**  trans59.9142.8155-68.3151.3-172.5171.20119.3
821T34Very low32.9Very low113 Ų113154.6 Ų154.669%0.69374%0.744SS**  cis-153.1129.5-0.46.80000108.6
822K32.6Very low33.1Very low187 Ų187152.9 Ų152.981%0.81375%0.745SS**  53.9135.398.5-64.6179.2-176.81700114.7
823M33.1Very low33.7Very low148 Ų148152.9 Ų152.973%0.72974%0.742SS**  cis-162.2148.528.8-134.9174-170.200114.8
824K31.1Very low33.1Very low165 Ų165156.8 Ų156.872%0.71775%0.746SS**  trans27.5151.7134-64-179.4-180175.70120.9
825R32.8Very low32.9Very low203 Ų203153.7 Ų153.777%0.76674%0.743SS**  cis-165.4150.222-143.4175.9-178.3175.8-0.9115.5
826K31.8Very low32.9Very low190 Ų190149.7 Ų149.783%0.82673%0.732SS**  trans69.9155.4145.6-104.2-171.1173.8-1640121.3
827K33.7Very low33.1Very low159 Ų159154.3 Ų154.369%0.69175%0.746SS**  trans-141.4150.7-175161.4-176.9175.1-179.70108.3
828N27.8Very low33.1Very low140 Ų140151.4 Ų151.475%0.74975%0.747SS**  trans-163.7128.1142.1-98.411.2000106.2
829W28.5Very low33.2Very low188 Ų188156 Ų15671%0.71276%0.756SS**  59108.186.5-73.6106.4000110.1
830D29.8Very low33.3Very low150 Ų150156.8 Ų156.880%0.80277%0.765SS**  -154.8169.173.6-91.7-31.8000117.7
831D34Very low33.3Very low149 Ų149156.5 Ų156.580%0.79777%0.768SS**  trans63.2152.4158.6-127-23.2000122.5
832T34.6Very low33.6Very low125 Ų125156.5 Ų156.577%0.76777%0.77SS**  trans-136.7-173.7-171.6-11.50000111.5
833P44.5Very low33.6Very low118 Ų118154.1 Ų154.177%0.76677%0.771SS**  -105.2162-127.440.4-29.2000115.3
834W27.7Very low33.6Very low230 Ų230155.2 Ų155.287%0.87178%0.779SS**  trans-131.1147.2167.7-172.2-106.4000113.2
835S36.4Very low34.1Very low103 Ų103152.7 Ų152.772%0.7278%0.78SS**  trans-130.6126.9176.9171.60000110.3
836P37.2Very low34.1Very low93 Ų93152.9 Ų152.960%0.60479%0.786SS**  trans-127.6130.5167.734.5-20.4000114.3
837K37.6Very low34.3Very low218 Ų218152.9 Ų152.995%0.94879%0.789SS**  trans-108.387.7150.8-91.2-170.6174.7179.70109.8
838A31.7Very low34.5Very low81 Ų81153 Ų15367%0.66980%0.797SS**  trans-163.3153.1169.600000108.3
839R33.6Very low34.8Very low229 Ų229157.4 Ų157.486%0.86480%0.803SS**  cis-151.4158.6-0.6-158.3178.4-75.6-158.9-3.5109.5
840V34Very low35.4Very low134 Ų134154.6 Ų154.681%0.81281%0.809SS**  trans-74.5144163.3177.10000110
841M33Very low35.9Very low164 Ų164152.1 Ų152.181%0.80881%0.81SS**  trans-137156.4164.5-80.7-149.467.400111.8
842P39.9Very low36.2Very low113 Ų113156.3 Ų156.373%0.73481%0.814SS**  trans-96.8164.4-162.137.9-35.9000114.9
843T32.1Very low36.5Very low137 Ų137159 Ų15984%0.8482%0.818SS**  trans-87.7137.5177.245.50000113.7
844L33.4Very low37.1Very low170 Ų170157.4 Ų157.489%0.8982%0.823SS**  trans-148.8168.8151.8-101.2177000108.2
845P41.5Very low38.3Very low113 Ų113151 Ų15173%0.73482%0.819SS**  -92.4160-118.936-37.9000114.7
846K34.2Very low39Very low207 Ų207156 Ų15690%0.982%0.822SS**  trans-126150.7157.7-81.2-171.9173.1-179.70109.9
847Q35.9Very low40.1Very low189 Ų189156.1 Ų156.188%0.88382%0.821SS**  trans-72.3157.6-170.6-62.5158.8-66.200112.4
848D36.8Very low41Very low163 Ų163149.2 Ų149.287%0.87280%0.804SS**  trans-57.6150.7171.8-66.9-69.1000113
849R33.9Very low42.5Very low231 Ų231149.2 Ų149.287%0.87280%0.8SS**  trans-124.2151.2159.8-77.8-175.8169.4-176.7-4.9108.6
850P41.6Very low43.9Very low130 Ų130142.5 Ų142.584%0.84478%0.784SS**  trans-63.6144.8-159.5-24.635.4000114.1
851A39.6Very low45.3Very low98 Ų98141 Ų14181%0.8177%0.768SS**  trans-63.6134.4169.500000110.2
852R41.1Very low47.1Very low237 Ų237137.7 Ų137.789%0.89476%0.757SS**  trans-97103.9171.2-168.5174.8-171.5167.23.2108.6
853E41.1Very low48.6Very low182 Ų182134.3 Ų134.385%0.8574%0.743SS**  trans-64.7158174.9-61.6-171.5116.800111.5
854G57.4Low50.3Low84 Ų84133.4 Ų133.487%0.86673%0.732SS**  trans111.1-1.8179.600000116.3
855A52.4Low51.8Low95 Ų95128.3 Ų128.379%0.78572%0.715SS**  trans-114.156.7-178.900000113.5
856R51.3Low53.2Low207 Ų207125.5 Ų125.578%0.78170%0.701SS**  trans-121.2134169-62.3-165.9-168.6-168.29.9110.4E861R856-E861 IonicContact NH1-OE1 2.78Å
857V60Low54.6Low97 Ų97118.2 Ų118.259%0.58868%0.679SS**  trans-117.4113.9-179.6-1720000108.6S859 V860V857-S859 WeakPolarHBondContact CG1-OG 3.4Å; V857-S859 PolarHBondContact O-N 3.41Å; V857-V860 HydrophobicContact CB-CG2 4.38Å; V857-V860 WeakPolarHBondContact O-CB 3.29Å; V857-V860 PolarHBondContact O-N 3.21Å
858A56.8Low56Low72 Ų72112.1 Ų112.160%0.59566%0.661SS**Hα-helixtrans-60.4-22.3-168.500000115.1V860 E861 T862A858-V860 VanDerWaalsContact C-N 3.28Å; A858-V860 PolarHBondContact O-N 3.28Å; A858-E861 PolarHBondContact O-N 3.07Å; A858-T862 PolarHBondContact O-N 3.48Å; A858-T862 VanDerWaalsContact O-N 3.12Å; A858-T862 PolarHBondContact O-OG1 3.29Å
859S63.3Low57.6Low82 Ų82106.9 Ų106.957%0.57364%0.641SS**Hα-helixtrans-66.1-27.2174.256.10000113.4V857 T862 G863V857-S859 WeakPolarHBondContact CG1-OG 3.4Å; V857-S859 PolarHBondContact O-N 3.41Å; S859-T862 VanDerWaalsContact CA-OG1 3.32Å; S859-T862 WeakPolarHBondContact CA-OG1 3.21Å; S859-T862 PolarHBondContact O-OG1 2.85Å; S859-G863 PolarHBondContact O-N 2.84Å; S859-G863 VanDerWaalsContact O-N 3.08Å
860V63.3Low59.5Low88 Ų88103.3 Ų103.353%0.53363%0.631SS.*Hα-helixtrans-75.9-40.7177.8-177.40000110.6V857 A858 G863 L864V857-V860 HydrophobicContact CB-CG2 4.38Å; V857-V860 WeakPolarHBondContact O-CB 3.29Å; V857-V860 PolarHBondContact O-N 3.21Å; A858-V860 VanDerWaalsContact C-N 3.28Å; A858-V860 PolarHBondContact O-N 3.28Å; V860-G863 PolarHBondContact O-N 2.89Å; V860-L864 HydrophobicContact CG1-CD1 4.24Å; V860-L864 PolarHBondContact O-N 2.78Å
861E63.3Low60.7Low102 Ų102102.7 Ų102.748%0.47762%0.62SS.*Hα-helixtrans-68.2-39.3177.6-67.6179.1157.200111.4R856 A858 L864 A865R856-E861 IonicContact NH1-OE1 2.78Å; A858-E861 PolarHBondContact O-N 3.07Å; E861-L864 PolarHBondContact O-N 3Å; E861-A865 WeakPolarHBondContact O-CB 3.3Å; E861-A865 PolarHBondContact O-N 3.23Å
862T70.8Confident61.6Low95 Ų95101 Ų10158%0.58361%0.606SS**Hα-helixtrans-66.1-38.1171.532.10000113A858 S859 A865 A866A858-T862 PolarHBondContact O-N 3.48Å; A858-T862 VanDerWaalsContact O-N 3.12Å; A858-T862 PolarHBondContact O-OG1 3.29Å; S859-T862 VanDerWaalsContact CA-OG1 3.32Å; S859-T862 WeakPolarHBondContact CA-OG1 3.21Å; S859-T862 PolarHBondContact O-OG1 2.85Å; T862-A865 PolarHBondContact O-N 2.82Å; T862-A866 WeakPolarHBondContact O-CB 3.4Å; T862-A866 PolarHBondContact O-N 3.07Å
863G70.1Confident62.6Low41 Ų4196.3 Ų96.342%0.42359%0.594SS.*Hα-helixtrans-61.3-44.3173.600000113.3S859 V860 A866 A867S859-G863 PolarHBondContact O-N 2.84Å; S859-G863 VanDerWaalsContact O-N 3.08Å; V860-G863 PolarHBondContact O-N 2.89Å; G863-A866 PolarHBondContact O-N 3.12Å; G863-A867 PolarHBondContact O-N 2.81Å
864L68.3Low63.4Low119 Ų11994.6 Ų94.662%0.62359%0.586SS**Hα-helixtrans-65.9-42.5176.1-92.4151.9000112.6V860 E861 A866 A867 A868V860-L864 HydrophobicContact CG1-CD1 4.24Å; V860-L864 PolarHBondContact O-N 2.78Å; E861-L864 PolarHBondContact O-N 3Å; L864-A866 PolarHBondContact O-N 3.33Å; L864-A867 PolarHBondContact O-N 3.05Å; L864-A868 PolarHBondContact O-N 3.34Å
865A64.5Low62.9Low63 Ų6396.8 Ų96.852%0.52157%0.574SS.*Hα-helixtrans-61.3-43.8175.500000112.1E861 T862 A867 A868 A869E861-A865 WeakPolarHBondContact O-CB 3.3Å; E861-A865 PolarHBondContact O-N 3.23Å; T862-A865 PolarHBondContact O-N 2.82Å; A865-A867 VanDerWaalsContact C-N 3.33Å; A865-A867 PolarHBondContact O-N 2.83Å; A865-A868 PolarHBondContact O-N 2.76Å; A865-A869 PolarHBondContact O-N 3.49Å
866A70.5Confident62.7Low54 Ų54100.4 Ų100.445%0.44658%0.575SS.*Hα-helixtrans-66.3-31.9177.100000113.2T862 G863 L864 K870T862-A866 WeakPolarHBondContact O-CB 3.4Å; T862-A866 PolarHBondContact O-N 3.07Å; G863-A866 PolarHBondContact O-N 3.12Å; L864-A866 PolarHBondContact O-N 3.33Å; A866-K870 PolarHBondContact O-N 3.18Å
867A65.3Low62.6Low54 Ų5498.9 Ų98.945%0.44658%0.577SS.*Hα-helixtrans-69.7-43.8173.500000112G863 L864 A865 K870 L871G863-A867 PolarHBondContact O-N 2.81Å; L864-A867 PolarHBondContact O-N 3.05Å; A865-A867 VanDerWaalsContact C-N 3.33Å; A865-A867 PolarHBondContact O-N 2.83Å; A867-K870 PolarHBondContact O-N 3.32Å; A867-L871 PolarHBondContact O-N 3.37Å
868A64Low61.8Low60 Ų60101.3 Ų101.350%0.49658%0.579SS.*Hα-helixtrans-62.4-43.1176.900000112.3L864 A865 K870 L871 A872L864-A868 PolarHBondContact O-N 3.34Å; A865-A868 PolarHBondContact O-N 2.76Å; A868-K870 VanDerWaalsContact C-N 3.31Å; A868-K870 PolarHBondContact O-N 2.84Å; A868-L871 PolarHBondContact O-N 2.86Å; A868-A872 PolarHBondContact O-N 3.4Å; A868-A872 VanDerWaalsContact O-N 3.1Å
869A71.7Confident61Low54 Ų54103.9 Ų103.945%0.44659%0.59SS.*Hα-helixtrans-59.9-38.5177.600000112.9A865 A872 Q873A865-A869 PolarHBondContact O-N 3.49Å; A869-A872 PolarHBondContact O-N 3.33Å; A869-Q873 PolarHBondContact O-N 2.98Å
870K73.7Confident59.7Low155 Ų155104.8 Ų104.867%0.67460%0.602SS**Hα-helixtrans-70.5-33.7177.6-75.2178.6177.4176.50113.2A866 A867 A868 Q874A866-K870 PolarHBondContact O-N 3.18Å; A867-K870 PolarHBondContact O-N 3.32Å; A868-K870 VanDerWaalsContact C-N 3.31Å; A868-K870 PolarHBondContact O-N 2.84Å; K870-Q874 PolarHBondContact O-N 3.02Å
871L66Low58.4Low118 Ų118110.6 Ų110.662%0.61862%0.62SS**Hα-helixtrans-66.5-42.8172.8-90.9162.7000111.8A867 A868 Q873 Q874A867-L871 PolarHBondContact O-N 3.37Å; A868-L871 PolarHBondContact O-N 2.86Å; L871-Q873 VanDerWaalsContact C-N 3.33Å; L871-Q873 PolarHBondContact O-N 2.91Å; L871-Q874 WeakPolarHBondContact O-CB 3.43Å; L871-Q874 PolarHBondContact O-N 3.01Å
872A58.4Low57Low61 Ų61117.4 Ų117.450%0.50464%0.641SS.*Hα-helixtrans-60.3-39.5178.600000112.9A868 A869 Q874A868-A872 PolarHBondContact O-N 3.4Å; A868-A872 VanDerWaalsContact O-N 3.1Å; A869-A872 PolarHBondContact O-N 3.33Å; A872-Q874 VanDerWaalsContact C-N 3.26Å; A872-Q874 PolarHBondContact O-N 2.75Å
873Q61.8Low55.2Low139 Ų139123.1 Ų123.165%0.6566%0.658SS**Hα-helixtrans-67.2-23.4176-71.3-179.9-14.200113.4A869 L871A869-Q873 PolarHBondContact O-N 2.98Å; L871-Q873 VanDerWaalsContact C-N 3.33Å; L871-Q873 PolarHBondContact O-N 2.91Å
874Q58Low53.2Low147 Ų147131.5 Ų131.569%0.68768%0.679SS**Hα-helixtrans-78.7-22-176.6-162172.821.900113.5K870 L871 A872K870-Q874 PolarHBondContact O-N 3.02Å; L871-Q874 WeakPolarHBondContact O-CB 3.43Å; L871-Q874 PolarHBondContact O-N 3.01Å; A872-Q874 VanDerWaalsContact C-N 3.26Å; A872-Q874 PolarHBondContact O-N 2.75Å
875E47.6Very low51.5Low130 Ų130132.6 Ų132.661%0.60769%0.69SS**Hα-helixtrans-81.9-24.7-178.9-70.4-117.482.300113.8Q877 K878E875-Q877 VanDerWaalsContact C-N 3.29Å; E875-Q877 PolarHBondContact O-N 3.45Å; E875-K878 IonicContact OE1-NZ 3Å; E875-K878 PolarHBondContact OE1-NZ 2.7Å
876Q48.7Very low49.8Very low170 Ų170138.6 Ų138.679%0.79470%0.704SS**THydrogen-bonded Turntrans-76.9-6.4-171.4-67-176.8-15.600114.8
877Q49.5Very low47.8Very low176 Ų176145.2 Ų145.282%0.82272%0.723SS**THydrogen-bonded Turntrans-100.634.2179.9-63.3-165.71.800114.5E875E875-Q877 VanDerWaalsContact C-N 3.29Å; E875-Q877 PolarHBondContact O-N 3.45Å
878K43.1Very low46.1Very low148 Ų148151.3 Ų151.364%0.64374%0.742SS**  trans-107.5105174.9-70170.5-173.7162.20111.4E875E875-K878 IonicContact OE1-NZ 3Å; E875-K878 PolarHBondContact OE1-NZ 2.7Å
879P38.3Very low44.7Very low126 Ų126159.3 Ų159.382%0.81876%0.76SS**PPolyproline II helixtrans-71.7143.2177.328.6-34.1000112.6
880A36.7Very low42.9Very low100 Ų100162.1 Ų162.183%0.82677%0.773SS**PPolyproline II helixtrans-77.2149.1-174.800000114.1
881K35.6Very low41Very low211 Ų211160.9 Ų160.992%0.91778%0.781SS**PPolyproline II helixtrans-77.5131.2-179.7-60.3174.7-178.3174.60111.7
882R34.4Very low39.5Very low245 Ų245159.4 Ų159.493%0.92579%0.786SS**  trans-118.4158.2163.6-77-177.774.7160.90.7111.8
883K32.9Very low38.3Very low214 Ų214162.2 Ų162.293%0.9380%0.799SS**  trans-86163.6-165.2-62.7177.9-179.5176.60113.4
884Y28.6Very low36.8Very low218 Ų218162.2 Ų162.286%0.85581%0.808SS**  trans-97.6130.4-171.5-163.4-89.4000112.6
885T31.5Very low35.4Very low141 Ų141158.7 Ų158.787%0.86580%0.804SS**  trans-141.8168.8169.9450000111.3
886K30.7Very low34.4Very low189 Ų189156.2 Ų156.282%0.82280%0.801SS**  trans-143.6122-147.3169.5-169.1176.2-1760113.9
887K28.4Very low34Very low193 Ų193151.3 Ų151.384%0.83978%0.784SS**  trans158.4160.9160.9-96.2171.6177.7-1770108.3
888Q27.9Very low33.7Very low182 Ų182146.1 Ų146.185%0.8577%0.766SS**  cis-157.7-160.1-33.1-145.6170.4-4.400107.3
889R34.5Very low33.5Very low229 Ų229144.4 Ų144.486%0.86477%0.77SS**  trans-135.2135.5-162.7177.9-174.7-172.1-157.89.3114.7
890P35.2Very low33Very low112 Ų112142.4 Ų142.473%0.72776%0.764SS**  trans-91.8163.2162.1-8.227.8000114.6
891P33.2Very low32.6Very low130 Ų130147.1 Ų147.184%0.84477%0.769SS**  trans-106.8-167.5-166.841.9-35.7000115.9
892A33.6Very low32.2Very low86 Ų86142 Ų14271%0.71177%0.766SS**  trans-119.4172.5-172.800000113.9
893P33.9Very low31.7Very low121 Ų121139 Ų13979%0.78676%0.762SS**  -133.6155.3121.835.9-25.1000112.3
894V30.8Very low32.2Very low139 Ų139133.9 Ų133.984%0.84275%0.751SS**  cis88.2104.826.9179.70000115.3
895A29Very low32.1Very low72 Ų72128 Ų12860%0.59575%0.748SS**  trans178.5136.9138.800000115.9R479R479-A895 PolarHBondContact NH2-O 3.37Å
896S26.6Very low32.8Very low78 Ų78127.1 Ų127.155%0.54574%0.744SS.*  trans-130.2-160.2174.457.80000110.9
897P39.8Very low32.6Very low67 Ų67123 Ų12344%0.43575%0.745SS.*  -106.3-100.1-66.518.50.8000115.9P480 P481 G482P480-P897 CarbonylContact C-O 3.58Å; P480-P897 VanDerWaalsContact C-O 3.29Å; P481-P897 CarbonylContact C-O 3.56Å; P481-P897 WeakPolarHBondContact CA-O 3.27Å; G482-P897 VanDerWaalsContact N-C 3.34Å; G482-P897 PolarHBondContact N-O 3.11Å
898P43.3Very low32.9Very low68 Ų68119.2 Ų119.244%0.44274%0.743SS.*  trans-121.8-164-13547.8-28.3000112.2P480 P481 G482P480-P898 CarbonylContact O-C 3.55Å; P480-P898 WeakPolarHBondContact O-CA 3.38Å; P481-P898 CarbonylContact C-O 3.34Å; P481-P898 WeakPolarHBondContact CD-O 3.5Å; G482-P898 VanDerWaalsContact O-CD 3.28Å; G482-P898 WeakPolarHBondContact O-CD 3.21Å
899P38.2Very low33.6Very low111 Ų111116.4 Ų116.472%0.72174%0.741SS**  cis-141.5-128.447.742.3-18.8000114.5
900A29Very low33.3Very low85 Ų85111.8 Ų111.870%0.70274%0.738SS**  trans-155.1164-176.700000111.1
901Q27.4Very low33.8Very low198 Ų198112.7 Ų112.793%0.92574%0.744SS**  trans167.8163.9136.3-97.7-177.9-10.600115.4
902A26.4Very low33.6Very low103 Ų103110.9 Ų110.985%0.85174%0.74SS**  trans92.7154.6154.100000121.5
903E25.6Very low34.4Very low183 Ų183111.9 Ų111.986%0.85574%0.739SS**  trans-104.6-155.7-172.2-39.6170.1109.200110.5
904P42.1Very low34.1Very low106 Ų106115.1 Ų115.169%0.68874%0.744SS**  cis-139.6157.9-18.631.1-10000117.7
905A26Very low34.2Very low96 Ų96114.2 Ų114.279%0.79374%0.744SS**  trans57179.4145.400000120.4
906P46.2Very low34.3Very low121 Ų121115.4 Ų115.479%0.78675%0.753SS**  cis-133.9-170.7-11.343.1-26.3000116.3
907A27.2Very low34.5Very low103 Ų103116 Ų11685%0.85176%0.763SS**  trans94.3149.515100000122.2
908S35.3Very low33.9Very low113 Ų113119.7 Ų119.779%0.7978%0.779SS**  trans-145.8176.1-176.258.50000111
909P41.4Very low33.2Very low124 Ų124122.7 Ų122.781%0.80580%0.796SS**  -153.8-177.710740.3-21.5000117.3
910T28.9Very low32.8Very low132 Ų132122.4 Ų122.481%0.8180%0.797SS**  trans-100.5-174.7174.733.70000111.4
911P46.3Very low33.9Very low131 Ų131124.2 Ų124.285%0.85180%0.801SS**  cis-145.3-154.228.544.2-19.7000118.3
912A27.4Very low34Very low91 Ų91121 Ų12175%0.75279%0.791SS**  trans-105.8-149.4-165.800000113.1
913P50.8Low34.1Very low107 Ų107126.1 Ų126.170%0.69579%0.788SS**  cis-143.9-163.219.644.2-21.3000117.9
914E29Very low34.3Very low189 Ų189127.5 Ų127.588%0.88379%0.785SS**  trans74149.4163.7-68.3171.1-148.400119.3
915S32.3Very low33.5Very low120 Ų120129.4 Ų129.484%0.83979%0.787SS**  cis-136.3-136.3470.20000114.6
916A31.6Very low33.6Very low97 Ų97130.6 Ų130.680%0.80278%0.78SS**  trans-161.8-175-168.400000116.6
917A30.6Very low32.8Very low91 Ų91133.9 Ų133.975%0.75278%0.778SS**  trans76.5150.9175.300000117.8
918D26.3Very low32.9Very low145 Ų145137.1 Ų137.178%0.77577%0.773SS**  cis-153137.8-7.4-112.5-9000108.3
919V28.7Very low32.5Very low130 Ų130136.9 Ų136.979%0.78877%0.771SS**  90.9138.477.8171.90000116.5
920S30.9Very low31.8Very low106 Ų106135.3 Ų135.374%0.74177%0.769SS**  trans-91.5-178.2-169.6-36.30000114.8
921P50.6Low31.8Very low122 Ų122134.2 Ų134.279%0.79277%0.767SS**  -137.6173.665.124.7-0.3000114.1
922D30Very low31Very low132 Ų132135 Ų13571%0.70676%0.763SS**  cis89.7102.621.5-173.237.7000118.3
923R29.2Very low31.3Very low209 Ų209137.1 Ų137.179%0.78976%0.761SS**  177138.5121.5-99.1177.8174.3-159.6-1.7117.5
924R28.6Very low30.4Very low212 Ų212138.3 Ų138.380%0.876%0.762SS**  trans17.6154.6132.7-68.6-171.9-173.7-175.30.5122.2
925M27Very low30.7Very low146 Ų146138.6 Ų138.672%0.71976%0.762SS**  cis-177.4177.3-13.8-169.9154.916000110
926D26.9Very low30.9Very low121 Ų121140.7 Ų140.765%0.64776%0.759SS**  trans88.9107.8156.6-62.1-52.8000123.7
927Y29.1Very low31.1Very low190 Ų190147.3 Ų147.375%0.74577%0.765SS**  60.2137.1125.1-91.6-73.1000127.6
928F28.9Very low31.2Very low171 Ų171148.7 Ų148.775%0.7576%0.764SS**  trans76.2107.9147.9-80-54.1000124.1
929S27Very low31.5Very low108 Ų108146.5 Ų146.576%0.75577%0.766SS**  57.1133.1124-71.70000125.5
930A27Very low31.7Very low92 Ų92143.7 Ų143.776%0.7676%0.764SS**  107.9120.813000000121.8
931S29.1Very low32.4Very low108 Ų108145.1 Ų145.176%0.75577%0.77SS**  trans79.2132135.1-88.60000125
932L30.8Very low31.7Very low147 Ų147142.5 Ų142.577%0.7777%0.765SS**  trans84.4143.4133.1-77.7166.1000123.2
933L32Very low33.1Very low136 Ų136141.5 Ų141.571%0.71277%0.766SS**  trans73.597151.5-72157.8000120.4
934D33.2Very low33.2Very low133 Ų133141.5 Ų141.571%0.71177%0.772SS**  41.4131.6115.2-53.7-7.2000121.3
935H34.9Very low33.2Very low194 Ų194134.8 Ų134.890%0.89877%0.769SS**  trans-146.9141.1136-104.2-65.8000110.8
936E35.9Very low34.1Very low164 Ų164134.3 Ų134.377%0.76678%0.777SS**  trans-81.8160.8-177.9-54.5159.9105.600112.6
937Y35.5Very low34.2Very low236 Ų236132.4 Ų132.493%0.92579%0.786SS**  -162163.4121.1-128-97.1000112.8
938T34.1Very low34.2Very low121 Ų121127.1 Ų127.174%0.74279%0.789SS**  trans-123.2140.7-159.9-65.20000113.2
939A33.1Very low35.4Very low98 Ų98124.8 Ų124.881%0.8179%0.791SS**  trans171.8146.4138.600000114.5
940G31.9Very low35.8Very low72 Ų72132 Ų13274%0.74280%0.802SS**  trans-115.4-154154.700000109.8
941P46.4Very low36Very low136 Ų136131.2 Ų131.288%0.88380%0.802SS**  cis-130.5-1600.241.3-22.4000113.6
942G34.3Very low36.1Very low66 Ų66132.6 Ų132.668%0.6881%0.812SS**  trans-87.3-148.8173.300000114.3
943P59.2Low36.1Very low112 Ų112129.5 Ų129.573%0.72782%0.816SS**  cis-141.6-1469.444.8-24000115.1
944F32.2Very low36Very low208 Ų208127.4 Ų127.491%0.91282%0.818SS**  trans97.5145.3173.4-64.2-76.5000119.2
945G28.9Very low36Very low72 Ų72130.1 Ų130.174%0.74283%0.828SS**  trans-114.8-140.7177.400000111.8
946P45Very low35.9Very low136 Ų136125.3 Ų125.388%0.88382%0.822SS**  cis-137.4-178.8-1.143.7-27.1000115.6
947G29.6Very low36.4Very low80 Ų80123.4 Ų123.483%0.82582%0.824SS**  trans92.3143.2135.900000121.5
948G29.7Very low36Very low79 Ų79115.9 Ų115.981%0.81482%0.819SS**  trans119.8130.7148.100000117.7
949P54.3Low35.7Very low123 Ų123116.5 Ų116.580%0.79982%0.822SS**  trans-114.4157.9-175.340.4-32.7000115.7
950R34.5Very low35.5Very low260 Ų260121.4 Ų121.498%0.98183%0.825SS**  trans-172.7141.9156.2-97.6148.4-172.3-164.33.1107.9
951G31.7Very low35.4Very low74 Ų74125.3 Ų125.376%0.76383%0.828SS**  cis-176.2164.1-600000110.5
952S30.9Very low34.5Very low138 Ų138124.4 Ų124.497%0.96583%0.825SS**  trans-69.7150.5-177.3-51.40000113.7
953G29.8Very low34.1Very low82 Ų82126.4 Ų126.485%0.84583%0.829SS**  trans-174.9112.216900000111.7
954A30.5Very low32.7Very low92 Ų92132.3 Ų132.376%0.7684%0.836SS**  trans-131.7143.7-166.800000114.1
955M33.2Very low32.6Very low189 Ų189133 Ų13393%0.93183%0.833SS**  trans68.9174154.1-67.6-66.9-166.900119.8
956A33Very low32.6Very low93 Ų93134.7 Ų134.777%0.76983%0.831SS**  trans98.5144.1168.400000117.6
957P45.8Very low31.8Very low125 Ų125132.3 Ų132.381%0.81282%0.817SS**  -143.8152.4-122.240.1-20.7000119.9
958G27Very low31.6Very low78 Ų78136.3 Ų136.380%0.80482%0.817SS**  trans87.9-162138.400000119.6
959V28.5Very low31.4Very low133 Ų133136.9 Ų136.981%0.80681%0.808SS**  trans81.297.9168.7-173.10000118.7
960F28.9Very low30.2Very low202 Ų202137.2 Ų137.289%0.88681%0.81SS**  trans81.9156.2142-89-114.7000123.9
961L29.7Very low29.7Very low153 Ų153133.7 Ų133.780%0.80181%0.805SS**  trans-85.4146.4179.8-60.6158.4000111.4
962S27Very low29.3Very low117 Ų117137.3 Ų137.382%0.81881%0.807SS**  178143.7117.5-83.80000116
963S27.5Very low29.2Very low108 Ų108136.2 Ų136.276%0.75580%0.799SS**  trans80.4147.3148.5-123.10000121.7
964R28.8Very low29Very low236 Ų236137.6 Ų137.689%0.89180%0.796SS**  trans68.885.9162-57.5179.4-168.3-117.32.3120.1
965R30.5Very low28.7Very low223 Ų223137.9 Ų137.984%0.84279%0.792SS**  -92.4167.3127-86.2-169.2-175.6-1564.1108.2
966P29.4Very low28.2Very low108 Ų108137.8 Ų137.870%0.70179%0.789SS**  cis-113.7171.916.612.213.2000113.8M968P966-M968 HydrophobicContact CB-CG 4.2Å
967S28Very low27.8Very low85 Ų85138.6 Ų138.659%0.59480%0.796SS**  cis68.271.64-161.80000117.5
968M25.9Very low26.7Very low165 Ų165136 Ų13681%0.81379%0.791SS**  trans-150.1137.4162.6-78.8-7198.600105.3P966P966-M968 HydrophobicContact CB-CG 4.2Å
969S24.7Very low26.7Very low90 Ų90141 Ų14163%0.62980%0.798SS**  cis-139.5173.43.3-570000109.2
970P28.4Very low27.4Very low130 Ų130139.9 Ų139.984%0.84480%0.797SS**  -136.7116.883.634.4-19.8000113.5
971Q25.5Very low27.3Very low186 Ų186136.3 Ų136.387%0.86979%0.794SS**  trans-131.4123.3148.8-77.8-170.3-19.500107
972N23.6Very low27.2Very low150 Ų150133.9 Ų133.980%0.80280%0.796SS**  trans-149.5114.3134.7-151.21.7000111
973S28.6Very low28Very low116 Ų116131.6 Ų131.681%0.81179%0.791SS**  trans-81.8110.4162.952.10000108.7
974S24.9Very low28.1Very low110 Ų110134.8 Ų134.877%0.76980%0.799SS**  trans-109.6113.4170.557.70000110.6
975S23.5Very low28.3Very low98 Ų98128 Ų12869%0.68579%0.793SS**  trans-80.7164.6175.853.50000112.4
976H23.8Very low28.4Very low188 Ų188122.4 Ų122.487%0.8779%0.788SS**  trans60.996.3164.4-63.6-64.3000118.9
977A23.8Very low28.4Very low110 Ų110126.8 Ų126.891%0.90980%0.799SS**  -135.9133.9128.800000108.5
978G23Very low28.4Very low69 Ų69125.2 Ų125.271%0.71180%0.796SS**  trans-142.3116-17800000111.8
979L27.6Very low28.6Very low183 Ų183125 Ų12596%0.95880%0.797SS**  trans73.7146.4166.8-56.9166.7000117.5
980S41.9Very low28.8Very low111 Ų111127 Ų12778%0.77681%0.805SS**PPolyproline II helixtrans-78.6159.7-170.4-29.30000114.2
981P28.3Very low29Very low126 Ų126124 Ų12482%0.81880%0.799SS**PPolyproline II helixtrans-83.1158.3150.235.1-30.7000111.5
982A26.1Very low29.3Very low103 Ų103123.8 Ų123.885%0.85180%0.802SS**PPolyproline II helixtrans-83.7166.2-17800000113.5
983G44Very low29.7Very low69 Ų69119.8 Ų119.871%0.71180%0.795SS**PPolyproline II helixtrans-90.5160.7167.700000113.8
984L29.7Very low29.8Very low175 Ų175123.6 Ų123.692%0.91680%0.801SS**  trans-139.4126.9168.6-75.2159.6000105.5
985A33Very low30.2Very low94 Ų94121.5 Ų121.578%0.77780%0.796SS**  cis84.9101.820.800000115.8
986S34Very low30.7Very low104 Ų104126.7 Ų126.773%0.72781%0.806SS**  trans-170.4115.3140.9-174.70000112
987Q27.8Very low31.3Very low201 Ų201129.2 Ų129.294%0.93981%0.808SS**SBend-167.5107.7116.2-99.1-16422.200108.2
988G28Very low32.1Very low52 Ų52129.6 Ų129.654%0.53680%0.801SS.*  cis-104.4-104.5-27.700000108.4
989I30.4Very low32.7Very low160 Ų160136 Ų13682%0.82181%0.81SS**  cis-168.6146.3-32.918.9161.2000105.5
990T29.9Very low33.4Very low131 Ų131137.6 Ų137.680%0.80481%0.809SS**  cis-146.8162.3-2.9-40.40000108.4
991G31Very low32.9Very low69 Ų69136 Ų13671%0.71181%0.81SS**  trans107.496153.200000118
992I32.4Very low33.9Very low181 Ų181138.6 Ų138.693%0.92882%0.816SS**  trans-20.9141.9152-53.6159.4000114.9
993G31.7Very low34.3Very low65 Ų65137.6 Ų137.667%0.6781%0.808SS**  cis157.4172-2.500000114.3
994Q31.8Very low34.4Very low197 Ų197139.6 Ų139.692%0.92181%0.806SS**  trans65.9156.1171.9-59.1-165.58.300120.3
995G31.9Very low34.8Very low66 Ų66135.4 Ų135.468%0.6880%0.797SS**  trans-156.4-178.2177.700000113.7
996K35.6Very low35.1Very low207 Ų207140.4 Ų140.490%0.980%0.801SS**  trans-158.6151179.4-101.8143.2-174.8167.90113.9
997R34.8Very low35.4Very low241 Ų241143 Ų14391%0.90980%0.802SS**  trans-95160.7169-76.5175.8160.8176-5110.9
998P40.8Very low35.9Very low117 Ų117144.3 Ų144.376%0.7680%0.798SS**  -154.5147.8105.437.6-19.2000119.2
999K35.2Very low36.4Very low205 Ų205149.1 Ų149.189%0.89181%0.811SS**  trans39.5142.2136.3-60.3-179.7178.8176.30123.8
1000K42.2Very low36.6Very low215 Ų215145 Ų14594%0.93581%0.807SS**  trans-73.7156.9163.2-68.1-178.5176.2-179.80113
1001G33.3Very low37Very low78 Ų78148.3 Ų148.380%0.80481%0.811SS**  trans-155.8144.1159.900000110.5
1002L47.3Very low37.5Very low181 Ų181152.5 Ų152.595%0.94882%0.815SS**  trans-107.6141.8-175.2-149.182000111.1
1003A34.5Very low37.6Very low81 Ų81150.5 Ų150.567%0.66981%0.805SS**  trans-141.7147.6173.400000110.7
1004T46.6Very low37.5Very low112 Ų112157.5 Ų157.569%0.68782%0.818SS**  trans-94.1159.6-166.352.10000114K1006 Q1007T1004-K1006 PolarHBondContact O-N 3.05Å; T1004-Q1007 PolarHBondContact O-N 3.31Å
1005A39.2Very low38Very low87 Ų87154.7 Ų154.772%0.71981%0.807SS**G310 helixtrans-58.1-20.3-167.700000116Q1007 R1008A1005-Q1007 PolarHBondContact O-N 3.07Å; A1005-Q1007 VanDerWaalsContact O-N 3.1Å; A1005-R1008 PolarHBondContact O-N 2.82Å
1006K38.3Very low37.8Very low198 Ų198159.4 Ų159.486%0.86181%0.811SS**G310 helixtrans-66.7-11.2-176.9-160.5167-176.8175.20114.3T1004T1004-K1006 PolarHBondContact O-N 3.05Å
1007Q40.8Very low37.6Very low160 Ų160159.3 Ų159.375%0.74881%0.805SS**G310 helixtrans-97.2-4.2179.2-74.7-176.6-32.300115.6T1004 A1005T1004-Q1007 PolarHBondContact O-N 3.31Å; A1005-Q1007 PolarHBondContact O-N 3.07Å; A1005-Q1007 VanDerWaalsContact O-N 3.1Å
1008R38.6Very low37.4Very low227 Ų227155.2 Ų155.286%0.85780%0.802SS**THydrogen-bonded Turntrans-92.8-21.8179.5-74.5-170.8172.7-164.6-2.8115.1A1005 G1010A1005-R1008 PolarHBondContact O-N 2.82Å; R1008-G1010 VanDerWaalsContact C-N 3.32Å; R1008-G1010 PolarHBondContact O-N 3.36Å
1009L38.1Very low37.1Very low154 Ų154153.1 Ų153.181%0.80680%0.801SS**THydrogen-bonded Turntrans-82-0.5-178.2-99.1159000115.1
1010G35.4Very low36.8Very low72 Ų72153.6 Ų153.674%0.74280%0.803SS**THydrogen-bonded Turntrans-95.410.7-174.400000116.7R1008R1008-G1010 VanDerWaalsContact C-N 3.32Å; R1008-G1010 PolarHBondContact O-N 3.36Å
1011K37.3Very low36.3Very low201 Ų201151.3 Ų151.387%0.87480%0.8SS**SBendtrans-126.20.1-171.9-87.5-165.8172.4-171.20117.2
1012I41.2Very low36.2Very low158 Ų158155.1 Ų155.181%0.8180%0.801SS**SBendtrans-12931.3178.7-33.2-176.8000111.9
1013L34.2Very low35.7Very low138 Ų138157.6 Ų157.672%0.72382%0.815SS**  trans-136.390.1167.9-77.6178.5000110.4I1015L1013-I1015 HydrophobicContact CD2-CD1 4.42Å
1014K30.6Very low35.7Very low213 Ų213161.5 Ų161.593%0.92682%0.822SS**  trans-137.881.8156.5-136.1-178.6-175-173.10108.8
1015I41.1Very low35.2Very low137 Ų137164.1 Ų164.170%0.70383%0.829SS**  trans-68.8140.3175.1-61.5164.2000108.9L1013L1013-I1015 HydrophobicContact CD2-CD1 4.42Å
1016H29.3Very low34.9Very low166 Ų166168.3 Ų168.377%0.76984%0.835SS**  trans173.6145.3144.4-101.7-70.4000107.4
1017R30.2Very low34.7Very low205 Ų205166.6 Ų166.677%0.77483%0.833SS**  cis-156.7167.37-164.6173.6177.7162.9-2.7109.1
1018N30.9Very low34.4Very low155 Ų155167 Ų16783%0.82984%0.839SS**  trans70145.1176.2-53.5-17.7000114.4
1019G34Very low34.1Very low73 Ų73163 Ų16375%0.75384%0.838SS**  trans-170.2173.1174.600000110.9
1020K29.4Very low33.8Very low214 Ų214163.6 Ų163.693%0.9384%0.84SS**  trans-144.2137157.9-89.9-176175.7-178.90107.1
1021L31.5Very low33.7Very low167 Ų167170.7 Ų170.787%0.87485%0.847SS**  trans-114.6130.4171.2-109.8167.5000106.4
1022L32.7Very low33.4Very low158 Ų158168.2 Ų168.283%0.82785%0.845SS**  trans-149.9113.1165.1-102172.8000108.2
1023L35.4Very low32.7Very low234 Ų234169.1 Ų169.1100%1.22585%0.848SS**  trans52.70169.5-64.7160.6000115.3

Retrieved 1,023 of 1,023 residues in 163.6 ms (Link to these results)

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