A0A077ZGF5_TRITR Loading...

5' 3' exoribonuclease 1

AlphaFold DB , UniProt , Accession A0A077ZGF5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 592 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
1M41.1Very low57.4Low50 Ų5050.8 Ų50.825%0.24627%0.273CS..  0102.20-73.4-94.3-92.200108Q266 V268M1-Q266 WeakPolarHBondContact CE-O 3.26Å; M1-V268 HydrophobicContact CB-CG1 4.41Å; M1-V268 HydrophobicContact CE-CG1 3.86Å; M1-V268 HydrophobicContact CG-CG1 4.18Å
2G47Very low57.8Low37 Ų3751.2 Ų51.238%0.38127%0.272SS..  trans-93.9153.9172.300000110.5P4 K5G2-P4 WeakPolarHBondContact O-CD 3.5Å; G2-K5 PolarHBondContact O-N 2.75Å
3I50.4Low57.8Low19 Ų1948.8 Ų48.810%0.09726%0.257CS..Hα-helixtrans-46.5-29.2173.2-43.3174.7000113.2K5 F6 A7 A193 I197 V248I3-K5 VanDerWaalsContact C-N 3.29Å; I3-K5 PolarHBondContact O-N 3.24Å; I3-F6 HydrophobicContact CG2-CB 4.37Å; I3-F6 HydrophobicContact CG2-CD1 4.36Å; I3-F6 WeakPolarHBondContact O-CA 3.45Å; I3-F6 WeakPolarHBondContact O-CB 3.45Å; I3-F6 PolarHBondContact O-N 2.93Å; I3-A7 PolarHBondContact O-N 2.88Å; I3-A193 VanDerWaalsContact C-CB 3.41Å; I3-A193 HydrophobicContact CB-CB 3.52Å; I3-A193 HydrophobicContact CG2-CB 3.49Å; I3-A193 VanDerWaalsContact CG2-CB 3.49Å; I3-A193 WeakPolarHBondContact CG2-O 3.27Å; I3-I197 HydrophobicContact CD1-CG1 4.01Å; I3-I197 HydrophobicContact CG2-CG1 4.44Å; I3-V248 HydrophobicContact CD1-CG1 4.3Å; I3-V248 HydrophobicContact CG1-CG1 4.03Å
4P51.6Low58.1Low91 Ų9148.9 Ų48.959%0.59125%0.252SS*.Hα-helixtrans-57.4-34.7171.5-29.436.9000115.1G2 F6 A193G2-P4 WeakPolarHBondContact O-CD 3.5Å; P4-F6 VanDerWaalsContact C-N 3.34Å; P4-A193 HydrophobicContact CG-CB 3.93Å
5K59.8Low58.3Low112 Ų11250.2 Ų50.249%0.48727%0.265SS..Hα-helixtrans-74.9-26.5173.2-68.9177.9178.6167.50111.6G2 I3 R8 L9 E501G2-K5 PolarHBondContact O-N 2.75Å; I3-K5 VanDerWaalsContact C-N 3.29Å; I3-K5 PolarHBondContact O-N 3.24Å; K5-R8 PolarHBondContact O-N 3.02Å; K5-L9 WeakPolarHBondContact O-CB 3.33Å; K5-L9 PolarHBondContact O-N 3.36Å; K5-L9 VanDerWaalsContact O-N 3.13Å; K5-E501 IonicContact NZ-OE1 2.74Å
6F63.1Low58.5Low14 Ų1452.5 Ų52.56%0.06129%0.287CS..Hα-helixtrans-66.4-38.5177.2178.6-108.4000112.7I3 P4 R8 L9 L10 I196 W244 L269 W362I3-F6 HydrophobicContact CG2-CB 4.37Å; I3-F6 HydrophobicContact CG2-CD1 4.36Å; I3-F6 WeakPolarHBondContact O-CA 3.45Å; I3-F6 WeakPolarHBondContact O-CB 3.45Å; I3-F6 PolarHBondContact O-N 2.93Å; P4-F6 VanDerWaalsContact C-N 3.34Å; F6-R8 PolarHBondContact O-N 3.36Å; F6-L9 HydrophobicContact CD2-CD2 4.12Å; F6-L9 VanDerWaalsContact O-CB 3.32Å; F6-L9 WeakPolarHBondContact O-CB 3.2Å; F6-L9 PolarHBondContact O-N 3.26Å; F6-L10 HydrophobicContact CD1-CD1 3.91Å; F6-L10 HydrophobicContact CD1-CG 4.22Å; F6-L10 HydrophobicContact CE1-CD1 3.25Å; F6-L10 HydrophobicContact CE1-CD2 4.2Å; F6-L10 HydrophobicContact CE1-CG 3.68Å; F6-L10 HydrophobicContact CE2-CD1 4.47Å; F6-L10 HydrophobicContact CE2-CD2 4.05Å; F6-L10 HydrophobicContact CE2-CG 3.99Å; F6-L10 HydrophobicContact CZ-CD1 3.58Å; F6-L10 HydrophobicContact CZ-CD2 3.6Å; F6-L10 HydrophobicContact CZ-CG 3.53Å; F6-L10 PolarHBondContact O-N 3.34Å; F6-I196 HydrophobicContact CD1-CG2 4.43Å; F6-I196 HydrophobicContact CE1-CG2 4.04Å; F6-W244 HydrophobicContact CD1-CH2 4.23Å; F6-W244 HydrophobicContact CD2-CZ2 4.4Å; F6-W244 AromaticContact CE1-CH2 3.35Å; F6-W244 HydrophobicContact CE1-CH2 3.35Å; F6-W244 AromaticContact CE1-CZ2 3.86Å; F6-W244 HydrophobicContact CE1-CZ2 3.86Å; F6-W244 HydrophobicContact CE1-CZ3 4.43Å; F6-W244 AromaticContact CE2-CH2 3.88Å; F6-W244 HydrophobicContact CE2-CH2 3.88Å; F6-W244 AromaticContact CE2-CZ2 3.47Å; F6-W244 HydrophobicContact CE2-CZ2 3.47Å; F6-W244 VanDerWaalsContact CE2-CZ2 3.47Å; F6-W244 AromaticContact CZ-CH2 3.15Å; F6-W244 HydrophobicContact CZ-CH2 3.15Å; F6-W244 AromaticContact CZ-CZ2 3.14Å; F6-W244 HydrophobicContact CZ-CZ2 3.14Å; F6-W244 HydrophobicContact CZ-CZ3 4.39Å; F6-L269 HydrophobicContact CD2-CD1 3.78Å; F6-L269 HydrophobicContact CE2-CD1 4.06Å; F6-W362 HydrophobicContact CE2-CH2 4.05Å; F6-W362 HydrophobicContact CE2-CZ2 4.4Å
7A64.3Low58.6Low4 Ų455.6 Ų55.63%0.03330%0.303CS..Hα-helixtrans-55.6-49.6172.800000112.8I3 L9 L10 C11 I196I3-A7 PolarHBondContact O-N 2.88Å; A7-L9 VanDerWaalsContact C-N 3.28Å; A7-L9 PolarHBondContact O-N 3.18Å; A7-L10 PolarHBondContact O-N 2.8Å; A7-C11 PolarHBondContact O-N 3.12Å; A7-C11 PolarHBondContact O-SG 3.35Å; A7-C11 VanDerWaalsContact O-SG 3.33Å; A7-I196 HydrophobicContact CB-CD1 3.8Å
8R64.3Low58.7Low120 Ų12056.9 Ų56.945%0.45331%0.312SS..Hα-helixtrans-57-45.7176.8174.2178.9175.2178.1-3.1111.1K5 F6 C11 E12 Y216K5-R8 PolarHBondContact O-N 3.02Å; F6-R8 PolarHBondContact O-N 3.36Å; R8-C11 PolarHBondContact O-N 3.33Å; R8-E12 HydrophobicContact CG-CG 4.36Å; R8-E12 IonicContact CZ-OE1 3.96Å; R8-E12 IonicContact NE-OE1 2.81Å; R8-E12 PolarHBondContact NE-OE1 3.29Å; R8-E12 IonicContact NH2-OE1 2.66Å; R8-E12 PolarHBondContact NH2-OE1 3.21Å; R8-E12 VanDerWaalsContact NH2-OE1 3.17Å; R8-E12 WeakPolarHBondContact O-CB 3.06Å; R8-E12 WeakPolarHBondContact O-CG 3.08Å; R8-E12 PolarHBondContact O-N 2.83Å; R8-Y216 HydrophobicContact CB-CE1 3.95Å; R8-Y216 HydrophobicContact CG-CD1 3.85Å; R8-Y216 HydrophobicContact CG-CE1 3.66Å; R8-Y216 HydrophobicContact CG-CG 4.43Å
9L62.4Low58.6Low34 Ų3457.1 Ų57.118%0.17832%0.318CS..Hα-helixtrans-62.2-42.1-179.7-173.763.9000113.3K5 F6 A7 R13 F361 W362K5-L9 WeakPolarHBondContact O-CB 3.33Å; K5-L9 PolarHBondContact O-N 3.36Å; K5-L9 VanDerWaalsContact O-N 3.13Å; F6-L9 HydrophobicContact CD2-CD2 4.12Å; F6-L9 VanDerWaalsContact O-CB 3.32Å; F6-L9 WeakPolarHBondContact O-CB 3.2Å; F6-L9 PolarHBondContact O-N 3.26Å; A7-L9 VanDerWaalsContact C-N 3.28Å; A7-L9 PolarHBondContact O-N 3.18Å; L9-R13 WeakPolarHBondContact O-CB 3.42Å; L9-R13 PolarHBondContact O-N 2.64Å; L9-F361 HydrophobicContact CD1-CD1 3.55Å; L9-F361 HydrophobicContact CD1-CE1 3.39Å; L9-F361 HydrophobicContact CD1-CG 4.38Å; L9-F361 HydrophobicContact CD1-CZ 4.02Å; L9-F361 HydrophobicContact CD2-CD1 4.13Å; L9-F361 HydrophobicContact CD2-CE1 3.07Å; L9-F361 HydrophobicContact CD2-CE2 4.12Å; L9-F361 HydrophobicContact CD2-CZ 3.09Å; L9-F361 HydrophobicContact CG-CD1 4.07Å; L9-F361 HydrophobicContact CG-CE1 3.4Å; L9-F361 VanDerWaalsContact CG-CE1 3.4Å; L9-F361 HydrophobicContact CG-CZ 3.95Å; L9-W362 HydrophobicContact CD2-CZ2 4.35Å; L9-W362 HydrophobicContact CG-CZ2 4.45Å
10L64.3Low58.5Low34 Ų3459.3 Ų59.318%0.17832%0.322CS..Hα-helixtrans-61.6-47.3173.8-76.9-179.5000111.3F6 A7 R13 Y14 L17 I196F6-L10 HydrophobicContact CD1-CD1 3.91Å; F6-L10 HydrophobicContact CD1-CG 4.22Å; F6-L10 HydrophobicContact CE1-CD1 3.25Å; F6-L10 HydrophobicContact CE1-CD2 4.2Å; F6-L10 HydrophobicContact CE1-CG 3.68Å; F6-L10 HydrophobicContact CE2-CD1 4.47Å; F6-L10 HydrophobicContact CE2-CD2 4.05Å; F6-L10 HydrophobicContact CE2-CG 3.99Å; F6-L10 HydrophobicContact CZ-CD1 3.58Å; F6-L10 HydrophobicContact CZ-CD2 3.6Å; F6-L10 HydrophobicContact CZ-CG 3.53Å; F6-L10 PolarHBondContact O-N 3.34Å; A7-L10 PolarHBondContact O-N 2.8Å; L10-R13 PolarHBondContact O-N 3.46Å; L10-Y14 HydrophobicContact CD2-CD2 4.06Å; L10-Y14 HydrophobicContact CD2-CE2 4.16Å; L10-Y14 WeakPolarHBondContact O-CA 2.96Å; L10-Y14 PolarHBondContact O-N 3.24Å; L10-L17 HydrophobicContact CB-CD1 4.44Å; L10-L17 HydrophobicContact CD2-CD1 4.34Å; L10-I196 HydrophobicContact CD1-CG2 4.3Å
11C63.3Low58.3Low44 Ų4460 Ų6030%0.29733%0.329SS..Hα-helixtrans-64.1-40.9178.8-65.90000112.3A7 R8 V18A7-C11 PolarHBondContact O-N 3.12Å; A7-C11 PolarHBondContact O-SG 3.35Å; A7-C11 VanDerWaalsContact O-SG 3.33Å; R8-C11 PolarHBondContact O-N 3.33Å; C11-V18 HydrophobicContact CB-CG2 3.93Å; C11-V18 VanDerWaalsContact SG-CG2 3.55Å
12E62.6Low59Low55 Ų5560 Ų6026%0.25733%0.33SS..Hα-helixtrans-65.7-40178-76.3178.818000112.1R8R8-E12 HydrophobicContact CG-CG 4.36Å; R8-E12 IonicContact CZ-OE1 3.96Å; R8-E12 IonicContact NE-OE1 2.81Å; R8-E12 PolarHBondContact NE-OE1 3.29Å; R8-E12 IonicContact NH2-OE1 2.66Å; R8-E12 PolarHBondContact NH2-OE1 3.21Å; R8-E12 VanDerWaalsContact NH2-OE1 3.17Å; R8-E12 WeakPolarHBondContact O-CB 3.06Å; R8-E12 WeakPolarHBondContact O-CG 3.08Å; R8-E12 PolarHBondContact O-N 2.83Å
13R57.5Low59.3Low20 Ų2062.6 Ų62.68%0.07534%0.338CS..Hα-helixtrans-84.7-41.4-178177.8169.5175.9113.3-17.4114.3L9 L10 P15 L222 W362L9-R13 WeakPolarHBondContact O-CB 3.42Å; L9-R13 PolarHBondContact O-N 2.64Å; L10-R13 PolarHBondContact O-N 3.46Å; R13-P15 WeakPolarHBondContact O-CD 3.16Å; R13-L222 HydrophobicContact CG-CD1 4.42Å; R13-W362 VanDerWaalsContact NE-CD1 3.26Å; R13-W362 VanDerWaalsContact NH1-CB 3.31Å; R13-W362 VanDerWaalsContact NH2-CG 3.33Å; R13-W362 PolarHBondContact NH2-O 2.75Å
14Y62Low59.3Low50 Ų5066.1 Ų66.120%0.19636%0.363CS..  trans-117.571.6-178.2-50-76.7000109.9L10 S16 L17 I224L10-Y14 HydrophobicContact CD2-CD2 4.06Å; L10-Y14 HydrophobicContact CD2-CE2 4.16Å; L10-Y14 WeakPolarHBondContact O-CA 2.96Å; L10-Y14 PolarHBondContact O-N 3.24Å; Y14-S16 PolarHBondContact O-N 2.78Å; Y14-L17 HydrophobicContact CD2-CD1 3.85Å; Y14-L17 HydrophobicContact CG-CD1 3.97Å; Y14-L17 HydrophobicContact CG-CG 4.37Å; Y14-L17 VanDerWaalsContact O-CB 3.29Å; Y14-L17 WeakPolarHBondContact O-CB 3.21Å; Y14-L17 PolarHBondContact O-N 2.83Å; Y14-I224 HydrophobicContact CE1-CG2 4.49Å
15P61.5Low59.4Low69 Ų6967.4 Ų67.445%0.44836%0.359SS..G310 helixtrans-53.7-26.5176.3-27.233.5000113.6R13 L17 V18R13-P15 WeakPolarHBondContact O-CD 3.16Å; P15-L17 PolarHBondContact O-N 2.68Å; P15-V18 CarbonylContact O-C 3.58Å; P15-V18 WeakPolarHBondContact O-CB 3.28Å; P15-V18 PolarHBondContact O-N 3.06Å; P15-V18 VanDerWaalsContact O-N 3.09Å
16S60.5Low59.3Low87 Ų8768.9 Ų68.961%0.60836%0.363SS*.G310 helixtrans-66.5-20.3174.655.10000114.3Y14 V18Y14-S16 PolarHBondContact O-N 2.78Å; S16-V18 VanDerWaalsContact C-N 3.3Å
17L60.6Low59.1Low106 Ų10673.3 Ų73.356%0.55540%0.396SS*.G310 helixtrans-68.5-32.5170.1-66.1178.5000111.1L10 Y14 P15 S19L10-L17 HydrophobicContact CB-CD1 4.44Å; L10-L17 HydrophobicContact CD2-CD1 4.34Å; Y14-L17 HydrophobicContact CD2-CD1 3.85Å; Y14-L17 HydrophobicContact CG-CD1 3.97Å; Y14-L17 HydrophobicContact CG-CG 4.37Å; Y14-L17 VanDerWaalsContact O-CB 3.29Å; Y14-L17 WeakPolarHBondContact O-CB 3.21Å; Y14-L17 PolarHBondContact O-N 2.83Å; P15-L17 PolarHBondContact O-N 2.68Å; L17-S19 PolarHBondContact O-N 3.35Å
18V61.1Low59.2Low78 Ų7877.9 Ų77.947%0.47342%0.416SS..SBendtrans-78.475.3169.7-171.50000107.4C11 P15 S16 Y20C11-V18 HydrophobicContact CB-CG2 3.93Å; C11-V18 VanDerWaalsContact SG-CG2 3.55Å; P15-V18 CarbonylContact O-C 3.58Å; P15-V18 WeakPolarHBondContact O-CB 3.28Å; P15-V18 PolarHBondContact O-N 3.06Å; P15-V18 VanDerWaalsContact O-N 3.09Å; S16-V18 VanDerWaalsContact C-N 3.3Å; V18-Y20 PolarHBondContact O-N 3.18Å
19S56Low59.7Low60 Ų6073.7 Ų73.742%0.4240%0.403SS..  trans-73.2-26.4-164.442.70000113.2L17L17-S19 PolarHBondContact O-N 3.35Å
20Y56.9Low60.6Low102 Ų10273.3 Ų73.340%0.440%0.402SS..  trans-149.398.8-172.8-47.3-74000113V18 L22 Q28 P30V18-Y20 PolarHBondContact O-N 3.18Å; Y20-L22 PolarHBondContact O-N 2.69Å; Y20-L22 VanDerWaalsContact O-N 3.16Å; Y20-Q28 HydrophobicContact CD1-CB 3.86Å; Y20-Q28 WeakPolarHBondContact CD1-O 3.42Å; Y20-Q28 HydrophobicContact CE1-CB 4.43Å; Y20-Q28 WeakPolarHBondContact CE1-O 3.36Å; Y20-P30 VanDerWaalsContact CD2-CD 3.46Å; Y20-P30 HydrophobicContact CD2-CG 4.05Å; Y20-P30 VanDerWaalsContact CE2-CD 3.43Å; Y20-P30 HydrophobicContact CE2-CG 3.66Å
21P55.2Low61.8Low73 Ų7377.8 Ų77.847%0.47442%0.422SS..  trans-59.5120.7160.525-30.3000108.2T23P21-T23 PolarHBondContact O-N 3.09Å; P21-T23 VanDerWaalsContact O-N 3.07Å
22L54.7Low63.3Low52 Ų5276.4 Ų76.427%0.27241%0.411SS..  trans-60.2-20.4-176.8-71.8178.7000113Y20 I29 V77 L210Y20-L22 PolarHBondContact O-N 2.69Å; Y20-L22 VanDerWaalsContact O-N 3.16Å; L22-I29 HydrophobicContact CD2-CD1 3.37Å; L22-I29 HydrophobicContact CD2-CG1 3.79Å; L22-V77 HydrophobicContact CD1-CG1 3.85Å; L22-V77 HydrophobicContact CD2-CG1 3.5Å; L22-V77 VanDerWaalsContact CD2-CG1 3.5Å; L22-V77 HydrophobicContact CG-CG1 4.29Å; L22-L210 HydrophobicContact CD1-CD1 4Å
23T52.8Low65Low90 Ų9074.8 Ų74.855%0.55240%0.404SS*.SBendtrans-118.7138.6-178.244.90000111.5P21P21-T23 PolarHBondContact O-N 3.09Å; P21-T23 VanDerWaalsContact O-N 3.07Å
24P50.7Low66.9Low93 Ų9374.3 Ų74.360%0.60440%0.403SS*.SBendcis-92.12.2-7.435.9-32.2000113.9Y26P24-Y26 PolarHBondContact O-N 2.73Å
25F54.6Low68.6Low119 Ų11972 Ų7252%0.52239%0.394SS..  trans-99.471-169-55.4-72.6000113.3S27 Q28F25-S27 PolarHBondContact O-N 2.78Å; F25-Q28 HydrophobicContact CB-CG 4.15Å; F25-Q28 PolarHBondContact O-N 3.07Å
26Y57.1Low70.3Confident142 Ų14268.7 Ų68.756%0.55737%0.372SS*.G310 helixtrans-50.4-23.4171.6-65.8-77000113.8P24 Q28 I29 V77P24-Y26 PolarHBondContact O-N 2.73Å; Y26-Q28 PolarHBondContact O-N 2.92Å; Y26-I29 HydrophobicContact CD1-CD1 3.93Å; Y26-I29 PolarHBondContact O-N 3.43Å; Y26-V77 HydrophobicContact CE1-CG2 4.23Å
27S58.6Low72Confident108 Ų10864.5 Ų64.576%0.75534%0.343SS*.G310 helixtrans-66.3-12.4177.852.90000114.9F25F25-S27 PolarHBondContact O-N 2.78Å
28Q67.7Low73.5Confident100 Ų10059.6 Ų59.647%0.46732%0.318SS..G310 helixtrans-95.9-8.7179.3-61.5-178.20.700113.3Y20 F25 Y26Y20-Q28 HydrophobicContact CD1-CB 3.86Å; Y20-Q28 WeakPolarHBondContact CD1-O 3.42Å; Y20-Q28 HydrophobicContact CE1-CB 4.43Å; Y20-Q28 WeakPolarHBondContact CE1-O 3.36Å; F25-Q28 HydrophobicContact CB-CG 4.15Å; F25-Q28 PolarHBondContact O-N 3.07Å; Y26-Q28 PolarHBondContact O-N 2.92Å
29I73.7Confident75Confident32 Ų3255.9 Ų55.916%0.16430%0.295CS..SBendtrans-66.2124.9-178.6-57.7170.6000108.6L22 Y26 F32 V77L22-I29 HydrophobicContact CD2-CD1 3.37Å; L22-I29 HydrophobicContact CD2-CG1 3.79Å; Y26-I29 HydrophobicContact CD1-CD1 3.93Å; Y26-I29 PolarHBondContact O-N 3.43Å; I29-F32 HydrophobicContact CG2-CE2 4.14Å; I29-V77 HydrophobicContact CD1-CG1 3.9Å
30P81.1Confident76.4Confident25 Ų2555.5 Ų55.516%0.16229%0.288CS..PPolyproline II helixtrans-64.1151.3177.426.8-33.5000110.1Y20 F32Y20-P30 VanDerWaalsContact CD2-CD 3.46Å; Y20-P30 HydrophobicContact CD2-CG 4.05Å; Y20-P30 VanDerWaalsContact CE2-CD 3.43Å; Y20-P30 HydrophobicContact CE2-CG 3.66Å; P30-F32 HydrophobicContact CG-CE1 4.42Å; P30-F32 HydrophobicContact CG-CE2 3.87Å; P30-F32 HydrophobicContact CG-CZ 3.66Å; P30-F32 WeakPolarHBondContact O-CD2 3.34Å; P30-F32 VanDerWaalsContact O-CE2 3.28Å; P30-F32 WeakPolarHBondContact O-CE2 3.41Å
31E90.4Very high77.6Confident128 Ų12851.3 Ų51.360%0.59828%0.277SS*.PPolyproline II helixtrans-71.6139.6176.1-57.3-171.2129.900110.7K81 R185E31-K81 IonicContact OE1-NZ 3.48Å; E31-K81 PolarHBondContact OE1-NZ 2.9Å; E31-K81 IonicContact OE2-NZ 3.64Å; E31-K81 PolarHBondContact OE2-NZ 2.74Å; E31-R185 WeakPolarHBondContact O-CD 3.38Å
32F95Very high79.3Confident15 Ų1547.9 Ų47.97%0.06625%0.254CS..  trans-118.9139.9177.8-66.5-75000111.9I29 P30 V78 P80 K81 R185 C187I29-F32 HydrophobicContact CG2-CE2 4.14Å; P30-F32 HydrophobicContact CG-CE1 4.42Å; P30-F32 HydrophobicContact CG-CE2 3.87Å; P30-F32 HydrophobicContact CG-CZ 3.66Å; P30-F32 WeakPolarHBondContact O-CD2 3.34Å; P30-F32 VanDerWaalsContact O-CE2 3.28Å; P30-F32 WeakPolarHBondContact O-CE2 3.41Å; F32-V78 HydrophobicContact CB-CG1 3.95Å; F32-V78 HydrophobicContact CD2-CG1 3.65Å; F32-V78 HydrophobicContact CE2-CG1 4.45Å; F32-V78 HydrophobicContact CG-CG1 4.06Å; F32-P80 WeakPolarHBondContact O-CA 3.14Å; F32-K81 PolarHBondContact O-N 3.01Å; F32-R185 HydrophobicContact CD1-CB 4.17Å; F32-C187 HydrophobicContact CB-CB 4.24Å; F32-C187 HydrophobicContact CD1-CB 3.53Å; F32-C187 HydrophobicContact CD2-CB 4.03Å; F32-C187 HydrophobicContact CE1-CB 3.74Å; F32-C187 HydrophobicContact CE2-CB 4.19Å; F32-C187 HydrophobicContact CG-CB 3.66Å; F32-C187 HydrophobicContact CZ-CB 4.04Å
33D97.3Very high80.8Confident22 Ų2246.4 Ų46.412%0.11825%0.246CC..SBendtrans-79.5-45.6171.2-72.9-68.4000110.5K81 K82 L83 T184 R185D33-K81 PolarHBondContact O-N 3.21Å; D33-K82 HydrophobicContact CB-CB 4.49Å; D33-K82 HydrophobicContact CB-CD 4.04Å; D33-K82 HydrophobicContact CB-CG 4.3Å; D33-K82 VanDerWaalsContact CG-NZ 3.32Å; D33-K82 WeakPolarHBondContact O-CA 3.38Å; D33-K82 WeakPolarHBondContact O-CB 3.26Å; D33-K82 PolarHBondContact O-N 2.84Å; D33-K82 WeakPolarHBondContact OD1-CD 3.21Å; D33-K82 WeakPolarHBondContact OD1-CE 3.25Å; D33-K82 IonicContact OD1-NZ 2.78Å; D33-K82 PolarHBondContact OD1-NZ 3.46Å; D33-K82 IonicContact OD2-NZ 3.77Å; D33-L83 PolarHBondContact O-N 2.88Å; D33-L83 VanDerWaalsContact O-N 3.14Å; D33-T184 HydrophobicContact CB-CG2 3.89Å; D33-T184 WeakPolarHBondContact OD2-CA 3.04Å; D33-R185 PolarHBondContact N-O 2.8Å; D33-R185 PolarHBondContact OD2-N 3.49Å
34N98Very high82Confident10 Ų1046.6 Ų46.65%0.05324%0.241CC..EExtended strand (participates in β ladder)trans-126.9131.7-171.6-53.4-35.3000110.7Y36 L83 T184 R185 H186 C187N34-Y36 HydrophobicContact CB-CD2 4.43Å; N34-Y36 HydrophobicContact CB-CE1 4.47Å; N34-Y36 HydrophobicContact CB-CE2 3.49Å; N34-Y36 VanDerWaalsContact CB-CE2 3.49Å; N34-Y36 VanDerWaalsContact CB-OH 3.29Å; N34-Y36 WeakPolarHBondContact CB-OH 3.34Å; N34-Y36 PolarHBondContact ND2-OH 3.16Å; N34-Y36 VanDerWaalsContact ND2-OH 3.14Å; N34-L83 WeakPolarHBondContact CA-O 3.42Å; N34-L83 HydrophobicContact CB-CB 4.17Å; N34-L83 HydrophobicContact CB-CD2 4.47Å; N34-L83 VanDerWaalsContact OD1-CB 3.26Å; N34-L83 WeakPolarHBondContact OD1-CB 3.33Å; N34-T184 WeakPolarHBondContact ND2-CG2 3.43Å; N34-R185 PolarHBondContact N-O 3.4Å; N34-R185 VanDerWaalsContact N-O 3.09Å; N34-H186 PolarHBondContact ND2-CE1 3.04Å; N34-C187 PolarHBondContact O-N 3.12Å
35L97.5Very high83.4Confident0 Ų043.7 Ų43.70%022%0.22CC..EExtended strand (participates in β ladder)trans-110.6130.6168.8171.160.4000109.3L37 V78 P80 L83 F84 F85 C187L35-L37 HydrophobicContact CD1-CD2 3.79Å; L35-L37 HydrophobicContact CD2-CD2 4.21Å; L35-L37 HydrophobicContact CG-CD2 3.99Å; L35-V78 HydrophobicContact CB-CG1 4.09Å; L35-V78 HydrophobicContact CD1-CB 4.38Å; L35-V78 HydrophobicContact CD1-CG1 4.13Å; L35-V78 HydrophobicContact CD1-CG2 4.09Å; L35-V78 HydrophobicContact CD2-CB 4.04Å; L35-V78 HydrophobicContact CD2-CG1 4.26Å; L35-V78 HydrophobicContact CD2-CG2 4.34Å; L35-V78 HydrophobicContact CG-CG1 4.38Å; L35-P80 HydrophobicContact CB-CB 3.78Å; L35-P80 HydrophobicContact CB-CG 3.81Å; L35-P80 HydrophobicContact CD2-CG 4.34Å; L35-L83 PolarHBondContact N-O 2.94Å; L35-F84 HydrophobicContact CB-CD2 3.94Å; L35-F84 HydrophobicContact CB-CE2 4.5Å; L35-F84 HydrophobicContact CD2-CD2 3.64Å; L35-F84 HydrophobicContact CD2-CE2 3.47Å; L35-F84 VanDerWaalsContact CD2-CE2 3.47Å; L35-F84 HydrophobicContact CG-CD2 3.73Å; L35-F84 HydrophobicContact CG-CE2 3.78Å; L35-F84 CarbonylContact O-C 3.57Å; L35-F84 WeakPolarHBondContact O-CA 3.41Å; L35-F85 PolarHBondContact O-N 3.42Å; L35-C187 CarbonylContact C-O 3.56Å; L35-C187 WeakPolarHBondContact CA-O 3.43Å; L35-C187 HydrophobicContact CD1-CB 4.28Å
36Y97.3Very high84.8Confident0 Ų038.4 Ų38.40%020%0.198CC..EExtended strand (participates in β ladder)trans-119.5128.1176.3-50.6-89.7000109.1N34 L83 F85 I167 Y170 I171 H186 C187 Y189N34-Y36 HydrophobicContact CB-CD2 4.43Å; N34-Y36 HydrophobicContact CB-CE1 4.47Å; N34-Y36 HydrophobicContact CB-CE2 3.49Å; N34-Y36 VanDerWaalsContact CB-CE2 3.49Å; N34-Y36 VanDerWaalsContact CB-OH 3.29Å; N34-Y36 WeakPolarHBondContact CB-OH 3.34Å; N34-Y36 PolarHBondContact ND2-OH 3.16Å; N34-Y36 VanDerWaalsContact ND2-OH 3.14Å; Y36-L83 HydrophobicContact CE1-CD2 3.95Å; Y36-F85 CarbonylContact C-O 3.56Å; Y36-F85 WeakPolarHBondContact CA-O 3.26Å; Y36-F85 HydrophobicContact CD1-CB 3.52Å; Y36-F85 HydrophobicContact CD1-CD2 4.42Å; Y36-F85 AromaticContact CD1-CG 3.97Å; Y36-F85 HydrophobicContact CD1-CG 3.97Å; Y36-F85 HydrophobicContact CE1-CB 4.13Å; Y36-F85 HydrophobicContact CG-CB 4.35Å; Y36-I167 HydrophobicContact CD1-CB 4.5Å; Y36-I167 HydrophobicContact CD1-CG1 4.45Å; Y36-I167 HydrophobicContact CD1-CG2 3.6Å; Y36-I167 HydrophobicContact CE1-CG2 4.38Å; Y36-I167 HydrophobicContact CG-CG2 3.69Å; Y36-Y170 AromaticContact CE1-CD1 3.94Å; Y36-Y170 HydrophobicContact CE1-CD1 3.94Å; Y36-Y170 HydrophobicContact CE1-CE1 4.37Å; Y36-I171 HydrophobicContact CD2-CD1 4.32Å; Y36-I171 HydrophobicContact CE1-CD1 4.15Å; Y36-I171 HydrophobicContact CE1-CG1 3.88Å; Y36-I171 HydrophobicContact CE2-CD1 3.94Å; Y36-I171 HydrophobicContact CE2-CG1 4.33Å; Y36-H186 HydrophobicContact CE2-CB 3.97Å; Y36-H186 AromaticContact CE2-ND1 3.38Å; Y36-H186 WeakPolarHBondContact CE2-ND1 3.45Å; Y36-H186 AromaticContact CZ-ND1 3.55Å; Y36-H186 PolarHBondContact OH-CE1 3.2Å; Y36-H186 PolarHBondContact OH-ND1 3.17Å; Y36-C187 WeakPolarHBondContact CD2-O 3.39Å; Y36-C187 PolarHBondContact N-O 3.07Å; Y36-Y189 PolarHBondContact O-N 3.14Å
37L95.9Very high85.5Confident0 Ų032 Ų320%017%0.174CC..EExtended strand (participates in β ladder)trans-109.7119.8174.4-54.6-171.9000109.6L35 M39 I42 I71 L74 F84 F85 M86 A87 Y189L35-L37 HydrophobicContact CD1-CD2 3.79Å; L35-L37 HydrophobicContact CD2-CD2 4.21Å; L35-L37 HydrophobicContact CG-CD2 3.99Å; L37-M39 HydrophobicContact CB-SD 3.97Å; L37-M39 HydrophobicContact CD1-SD 4.12Å; L37-M39 PolarHBondContact O-N 3.21Å; L37-I42 HydrophobicContact CB-CD1 4.38Å; L37-I42 HydrophobicContact CD1-CD1 3.94Å; L37-I71 HydrophobicContact CD1-CG1 4.33Å; L37-I71 HydrophobicContact CD1-CG2 4.08Å; L37-L74 HydrophobicContact CD1-CD1 4.36Å; L37-L74 HydrophobicContact CD2-CD1 3.77Å; L37-F84 HydrophobicContact CD1-CE2 3.57Å; L37-F84 HydrophobicContact CD1-CZ 3.48Å; L37-F84 VanDerWaalsContact CD1-CZ 3.48Å; L37-F84 HydrophobicContact CD2-CE2 4.24Å; L37-F84 HydrophobicContact CG-CE2 3.6Å; L37-F84 HydrophobicContact CG-CZ 4.03Å; L37-F85 PolarHBondContact N-O 2.89Å; L37-M86 HydrophobicContact CD1-CG 4.33Å; L37-A87 PolarHBondContact O-N 3Å; L37-Y189 HydrophobicContact CD2-CD1 4.18Å; L37-Y189 HydrophobicContact CD2-CG 4.09Å
38D93.1Very high86Confident2 Ų230.5 Ų30.51%0.01115%0.154CC..EExtended strand (participates in β ladder)trans-74.2110.3151.9-173-15.6000108.4N40 Y189D38-N40 VanDerWaalsContact C-N 3.27Å; D38-N40 PolarHBondContact O-N 3.03Å; D38-N40 WeakPolarHBondContact OD1-CB 3.48Å; D38-N40 PolarHBondContact OD1-N 3.15Å; D38-Y189 PolarHBondContact N-O 2.88Å; D38-Y189 VanDerWaalsContact N-O 3.12Å
39M91.3Very high85.7Confident0 Ų028.2 Ų28.20%015%0.145CC..Hα-helixtrans-73.8-18.7-174.6-67.7-61.7-64.100113L37 G41 I42 I43 I67 I71 M86 A87 V88 Y131L37-M39 HydrophobicContact CB-SD 3.97Å; L37-M39 HydrophobicContact CD1-SD 4.12Å; L37-M39 PolarHBondContact O-N 3.21Å; M39-G41 PolarHBondContact O-N 2.94Å; M39-I42 HydrophobicContact CE-CD1 4.47Å; M39-I42 WeakPolarHBondContact O-CB 3.15Å; M39-I42 PolarHBondContact O-N 3.05Å; M39-I42 HydrophobicContact SD-CD1 3.94Å; M39-I43 HydrophobicContact CB-CD1 4.08Å; M39-I43 VanDerWaalsContact O-CG1 3.27Å; M39-I43 WeakPolarHBondContact O-CG1 3.45Å; M39-I43 PolarHBondContact O-N 2.78Å; M39-I67 HydrophobicContact CE-CG2 4.09Å; M39-I71 HydrophobicContact CE-CD1 3.45Å; M39-I71 VanDerWaalsContact CE-CD1 3.45Å; M39-I71 HydrophobicContact CE-CG1 3.87Å; M39-I71 HydrophobicContact SD-CD1 4.31Å; M39-I71 HydrophobicContact SD-CG1 4.34Å; M39-M86 HydrophobicContact CG-CB 4.29Å; M39-M86 HydrophobicContact SD-CB 4.22Å; M39-M86 HydrophobicContact SD-CG 4.43Å; M39-A87 WeakPolarHBondContact CB-O 3.49Å; M39-A87 VanDerWaalsContact CG-O 3.23Å; M39-A87 WeakPolarHBondContact CG-O 3.42Å; M39-A87 PolarHBondContact N-O 2.9Å; M39-V88 HydrophobicContact CB-CG2 3.91Å; M39-V88 HydrophobicContact CG-CG2 3.9Å; M39-Y131 HydrophobicContact CE-CD1 4.47Å; M39-Y131 HydrophobicContact CE-CE1 3.68Å
40N86.4Confident84.8Confident52 Ų5231.9 Ų31.928%0.27817%0.166SC..Hα-helixtrans-57.2-49.7-176.2-85.6-2.1000112.9D38 I42 I43 H44 D89D38-N40 VanDerWaalsContact C-N 3.27Å; D38-N40 PolarHBondContact O-N 3.03Å; D38-N40 WeakPolarHBondContact OD1-CB 3.48Å; D38-N40 PolarHBondContact OD1-N 3.15Å; N40-I42 VanDerWaalsContact C-N 3.27Å; N40-I42 PolarHBondContact O-N 3.49Å; N40-I43 PolarHBondContact O-N 3.33Å; N40-H44 WeakPolarHBondContact O-CB 3.48Å; N40-H44 PolarHBondContact O-N 3.2Å; N40-D89 PolarHBondContact ND2-OD1 3.48Å; N40-D89 VanDerWaalsContact ND2-OD1 3.13Å; N40-D89 PolarHBondContact ND2-OD2 3.09Å; N40-D89 VanDerWaalsContact OD1-CB 3.26Å; N40-D89 WeakPolarHBondContact OD1-CB 3.46Å; N40-D89 VanDerWaalsContact OD1-CG 3.29Å
41G82.4Confident83.4Confident15 Ų1538.8 Ų38.816%0.15520%0.201CC..Hα-helixtrans-61.8-37.5179.400000112.1M39 N45M39-G41 PolarHBondContact O-N 2.94Å; G41-N45 WeakPolarHBondContact O-CB 3.08Å; G41-N45 VanDerWaalsContact O-CG 3.29Å; G41-N45 PolarHBondContact O-N 3.44Å
42I89.3Confident81.4Confident0 Ų034.9 Ų34.90%019%0.19CC..Hα-helixtrans-65.3-49.6176.7-56.9179.8000110.5L37 M39 N40 H44 N45 C46 I67 Y70 I71 L74 Y189L37-I42 HydrophobicContact CB-CD1 4.38Å; L37-I42 HydrophobicContact CD1-CD1 3.94Å; M39-I42 HydrophobicContact CE-CD1 4.47Å; M39-I42 WeakPolarHBondContact O-CB 3.15Å; M39-I42 PolarHBondContact O-N 3.05Å; M39-I42 HydrophobicContact SD-CD1 3.94Å; N40-I42 VanDerWaalsContact C-N 3.27Å; N40-I42 PolarHBondContact O-N 3.49Å; I42-H44 VanDerWaalsContact C-N 3.35Å; I42-H44 PolarHBondContact O-N 2.76Å; I42-N45 PolarHBondContact O-N 2.89Å; I42-C46 WeakPolarHBondContact O-CB 2.96Å; I42-C46 PolarHBondContact O-N 2.81Å; I42-C46 PolarHBondContact O-SG 2.86Å; I42-I67 HydrophobicContact CG2-CG2 4.3Å; I42-Y70 HydrophobicContact CB-CD1 4.22Å; I42-Y70 HydrophobicContact CD1-CD1 4.05Å; I42-Y70 HydrophobicContact CD1-CE1 4.35Å; I42-Y70 HydrophobicContact CG1-CD1 3.81Å; I42-Y70 HydrophobicContact CG1-CE1 3.91Å; I42-Y70 HydrophobicContact CG2-CD1 3.61Å; I42-Y70 HydrophobicContact CG2-CE1 4.44Å; I42-Y70 HydrophobicContact CG2-CG 4.06Å; I42-I71 HydrophobicContact CD1-CG1 4.39Å; I42-L74 HydrophobicContact CD1-CD1 3.79Å; I42-Y189 HydrophobicContact CD1-CD1 4.09Å; I42-Y189 HydrophobicContact CD1-CE1 3.91Å; I42-Y189 HydrophobicContact CG1-CD1 4.15Å; I42-Y189 HydrophobicContact CG1-CE1 3.5Å; I42-Y189 VanDerWaalsContact CG1-CE1 3.5Å
43I85.8Confident79.1Confident22 Ų2243.9 Ų43.911%0.11323%0.233CC..Hα-helixtrans-60.3-48.2-179.7-67.5164.8000109.6M39 N40 N45 C46 T47 I67 V88 L125M39-I43 HydrophobicContact CB-CD1 4.08Å; M39-I43 VanDerWaalsContact O-CG1 3.27Å; M39-I43 WeakPolarHBondContact O-CG1 3.45Å; M39-I43 PolarHBondContact O-N 2.78Å; N40-I43 PolarHBondContact O-N 3.33Å; I43-N45 PolarHBondContact O-N 3.21Å; I43-C46 PolarHBondContact O-N 3.43Å; I43-C46 VanDerWaalsContact O-N 3.13Å; I43-T47 HydrophobicContact CG2-CG2 4.31Å; I43-T47 WeakPolarHBondContact O-CG2 3.49Å; I43-T47 PolarHBondContact O-N 2.84Å; I43-T47 PolarHBondContact O-OG1 2.94Å; I43-T47 VanDerWaalsContact O-OG1 3.06Å; I43-I67 HydrophobicContact CG1-CD1 4.18Å; I43-V88 HydrophobicContact CD1-CG1 4.3Å; I43-L125 HydrophobicContact CG2-CD2 3.78Å
44H79Confident76.8Confident94 Ų9445.7 Ų45.744%0.43525%0.245SC..Hα-helixtrans-56.2-49.1178.6179.8-84.1000112.2N40 I42 C46 T47 H48N40-H44 WeakPolarHBondContact O-CB 3.48Å; N40-H44 PolarHBondContact O-N 3.2Å; I42-H44 VanDerWaalsContact C-N 3.35Å; I42-H44 PolarHBondContact O-N 2.76Å; H44-C46 VanDerWaalsContact C-N 3.26Å; H44-C46 PolarHBondContact O-N 2.95Å; H44-T47 PolarHBondContact O-N 3.44Å; H44-T47 PolarHBondContact O-OG1 3.23Å; H44-H48 AromaticContact CD2-CD2 3.52Å; H44-H48 AromaticContact NE2-CD2 3.63Å; H44-H48 WeakPolarHBondContact O-CB 3.43Å; H44-H48 PolarHBondContact O-CD2 2.83Å; H44-H48 PolarHBondContact O-N 3.5Å
45N80.4Confident74.7Confident32 Ų3246.6 Ų46.617%0.17125%0.251CS..Hα-helixtrans-66.1-27.6179.5-73.7-6.1000113.1G41 I42 I43G41-N45 WeakPolarHBondContact O-CB 3.08Å; G41-N45 VanDerWaalsContact O-CG 3.29Å; G41-N45 PolarHBondContact O-N 3.44Å; I42-N45 PolarHBondContact O-N 2.89Å; I43-N45 PolarHBondContact O-N 3.21Å
46C82.7Confident72.7Confident7 Ų752.4 Ų52.45%0.04728%0.281CS..Hα-helixtrans-83.7-23.3177.9-65.30000113.2I42 I43 H44 I67I42-C46 WeakPolarHBondContact O-CB 2.96Å; I42-C46 PolarHBondContact O-N 2.81Å; I42-C46 PolarHBondContact O-SG 2.86Å; I43-C46 PolarHBondContact O-N 3.43Å; I43-C46 VanDerWaalsContact O-N 3.13Å; H44-C46 VanDerWaalsContact C-N 3.26Å; H44-C46 PolarHBondContact O-N 2.95Å; C46-I67 HydrophobicContact CB-CD1 4.37Å; C46-I67 HydrophobicContact CB-CG1 3.52Å
47T73.1Confident70.9Confident9 Ų954.7 Ų54.76%0.05530%0.3CS..Hα-helixtrans-94-27179.954.90000113.8I43 H44 V63 T123I43-T47 HydrophobicContact CG2-CG2 4.31Å; I43-T47 WeakPolarHBondContact O-CG2 3.49Å; I43-T47 PolarHBondContact O-N 2.84Å; I43-T47 PolarHBondContact O-OG1 2.94Å; I43-T47 VanDerWaalsContact O-OG1 3.06Å; H44-T47 PolarHBondContact O-N 3.44Å; H44-T47 PolarHBondContact O-OG1 3.23Å; T47-V63 HydrophobicContact CG2-CG1 3.58Å; T47-V63 HydrophobicContact CG2-CG2 4.5Å; T47-T123 HydrophobicContact CG2-CG2 4.23Å
48H67.6Low69.5Low75 Ų7558.7 Ų58.735%0.34732%0.315SS..SBendtrans-114.4136.4-174.8-64.6-66.6000112.5H44 N50H44-H48 AromaticContact CD2-CD2 3.52Å; H44-H48 AromaticContact NE2-CD2 3.63Å; H44-H48 WeakPolarHBondContact O-CB 3.43Å; H44-H48 PolarHBondContact O-CD2 2.83Å; H44-H48 PolarHBondContact O-N 3.5Å; H48-N50 PolarHBondContact O-N 3.22Å
49D61.9Low68.5Low52 Ų5261.4 Ų61.428%0.27833%0.333SS..  trans-78.7101.4166.3-76.7-36000109N51 A52 R58D49-N51 PolarHBondContact O-N 2.91Å; D49-A52 HydrophobicContact CB-CB 3.89Å; D49-A52 PolarHBondContact O-N 2.98Å; D49-A52 VanDerWaalsContact O-N 3.13Å; D49-R58 IonicContact OD1-CZ 2.73Å; D49-R58 IonicContact OD1-NE 2.78Å; D49-R58 IonicContact OD1-NH2 2.69Å; D49-R58 PolarHBondContact OD1-NH2 2.93Å
50N55.9Low67.6Low110 Ų11065.4 Ų65.459%0.58835%0.352SS*.THydrogen-bonded Turntrans-56.6-14.4177.2-72-18.5000113.9H48H48-N50 PolarHBondContact O-N 3.22Å
51N50.8Low67.2Low170 Ų17067.3 Ų67.391%0.90936%0.356SS*.THydrogen-bonded Turntrans-103.5-3.9-176.8-67.3-22.1000114.6D49D49-N51 PolarHBondContact O-N 2.91Å
52A48.6Very low67.1Low45 Ų4570.2 Ų70.237%0.37237%0.365SS..  trans-110.5132.4-176.100000111.2D49 V54D49-A52 HydrophobicContact CB-CB 3.89Å; D49-A52 PolarHBondContact O-N 2.98Å; D49-A52 VanDerWaalsContact O-N 3.13Å; A52-V54 WeakPolarHBondContact CB-O 3.37Å; A52-V54 PolarHBondContact O-N 3.26Å; A52-V54 VanDerWaalsContact O-N 3.09Å
53E46.7Very low66.7Low205 Ų20570.3 Ų70.396%0.95837%0.366SS*.SBendtrans-57.6-21.3169.1-69.8-177.4164.700112
54V48.2Very low66.6Low60 Ų6070 Ų7036%0.36437%0.365SS..SBendtrans-136.1105.6-175.1177.80000107.7A52 I56 Q120A52-V54 WeakPolarHBondContact CB-O 3.37Å; A52-V54 PolarHBondContact O-N 3.26Å; A52-V54 VanDerWaalsContact O-N 3.09Å; V54-I56 PolarHBondContact O-N 3.01Å; V54-I56 VanDerWaalsContact O-N 3.15Å; V54-Q120 HydrophobicContact CG1-CG 4.1Å
55S55.9Low66.8Low28 Ų2871.2 Ų71.220%0.19637%0.369CS..  trans-67.3109.3178.7-171.30000110.1A57 Q120S55-A57 PolarHBondContact O-N 3.42Å; S55-Q120 PolarHBondContact O-NE2 2.8Å
56I55.4Low67.2Low123 Ų12371.7 Ų71.763%0.63138%0.375SS*.PPolyproline II helixtrans-68.2127.4174-59.9173.5000107.9V54 R58V54-I56 PolarHBondContact O-N 3.01Å; V54-I56 VanDerWaalsContact O-N 3.15Å; I56-R58 PolarHBondContact O-N 3.19Å
57A59.8Low67.5Low48 Ų4871.4 Ų71.440%0.39737%0.373SS..PPolyproline II helixtrans-62.6121.717800000110S55S55-A57 PolarHBondContact O-N 3.42Å
58R65.8Low68.4Low83 Ų8372 Ų7231%0.31338%0.375SS..PPolyproline II helixtrans-87.1146.1173.9-64.2-178-177.8-179.2-2.2109.9D49 I56 V63D49-R58 IonicContact OD1-CZ 2.73Å; D49-R58 IonicContact OD1-NE 2.78Å; D49-R58 IonicContact OD1-NH2 2.69Å; D49-R58 PolarHBondContact OD1-NH2 2.93Å; I56-R58 PolarHBondContact O-N 3.19Å; R58-V63 HydrophobicContact CB-CG2 3.89Å
59P70.9Confident69.5Low59 Ų5971.4 Ų71.438%0.38338%0.382SS..PPolyproline II helixtrans-55.8142.7170.1-22.933.2000111.3Y61 E62 V63P59-Y61 HydrophobicContact CB-CD1 3.53Å; P59-Y61 HydrophobicContact CB-CE1 3.31Å; P59-Y61 HydrophobicContact CB-CG 4.46Å; P59-Y61 HydrophobicContact CG-CE1 3.86Å; P59-Y61 PolarHBondContact O-N 3.37Å; P59-Y61 VanDerWaalsContact O-N 3.11Å; P59-E62 HydrophobicContact CB-CG 4.41Å; P59-E62 HydrophobicContact CG-CG 4.43Å; P59-E62 PolarHBondContact O-N 2.91Å; P59-V63 PolarHBondContact O-N 3.35Å
60E73.8Confident70.9Confident85 Ų8571 Ų7140%0.39738%0.377SS..Hα-helixtrans-51.3-40.9-178.1-176.9179.8168.100111.9E62 V63 V64E60-E62 VanDerWaalsContact C-N 3.3Å; E60-E62 PolarHBondContact O-N 3.39Å; E60-V63 WeakPolarHBondContact O-CB 3.32Å; E60-V63 PolarHBondContact O-N 3.04Å; E60-V64 HydrophobicContact CG-CG2 4.37Å; E60-V64 VanDerWaalsContact O-CG2 3.31Å; E60-V64 WeakPolarHBondContact O-CG2 3.21Å; E60-V64 PolarHBondContact O-N 2.78Å
61Y76.6Confident72.7Confident91 Ų9165.7 Ų65.736%0.35735%0.349SS..Hα-helixtrans-63.1-32.6-179.679.6-98.9000113.7P59 K65 L559P59-Y61 HydrophobicContact CB-CD1 3.53Å; P59-Y61 HydrophobicContact CB-CE1 3.31Å; P59-Y61 HydrophobicContact CB-CG 4.46Å; P59-Y61 HydrophobicContact CG-CE1 3.86Å; P59-Y61 PolarHBondContact O-N 3.37Å; P59-Y61 VanDerWaalsContact O-N 3.11Å; Y61-K65 HydrophobicContact CD2-CD 4.38Å; Y61-K65 WeakPolarHBondContact O-CB 3.37Å; Y61-K65 VanDerWaalsContact O-CG 3.32Å; Y61-K65 WeakPolarHBondContact O-CG 3.49Å; Y61-K65 PolarHBondContact O-N 3.48Å; Y61-L559 HydrophobicContact CD2-CD2 4.32Å; Y61-L559 HydrophobicContact CG-CD1 4.35Å; Y61-L559 HydrophobicContact CG-CD2 4.05Å
62E80.7Confident74.7Confident77 Ų7758.8 Ų58.836%0.3631%0.311SS..Hα-helixtrans-74.9-38.1178.3-64.1-166.5168.900111.2P59 E60 K65 S66P59-E62 HydrophobicContact CB-CG 4.41Å; P59-E62 HydrophobicContact CG-CG 4.43Å; P59-E62 PolarHBondContact O-N 2.91Å; E60-E62 VanDerWaalsContact C-N 3.3Å; E60-E62 PolarHBondContact O-N 3.39Å; E62-K65 PolarHBondContact O-N 3Å; E62-S66 VanDerWaalsContact O-CB 3.31Å; E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 3.41Å; E62-S66 PolarHBondContact O-OG 3.12Å
63V81.6Confident76.8Confident1 Ų160.4 Ų60.41%0.00631%0.312CS..Hα-helixtrans-60.6-49.4173.2177.40000109.5T47 R58 P59 E60 K65 S66 I67T47-V63 HydrophobicContact CG2-CG1 3.58Å; T47-V63 HydrophobicContact CG2-CG2 4.5Å; R58-V63 HydrophobicContact CB-CG2 3.89Å; P59-V63 PolarHBondContact O-N 3.35Å; E60-V63 WeakPolarHBondContact O-CB 3.32Å; E60-V63 PolarHBondContact O-N 3.04Å; V63-K65 PolarHBondContact O-N 2.63Å; V63-S66 PolarHBondContact O-N 3.16Å; V63-I67 HydrophobicContact CG1-CD1 3.82Å; V63-I67 HydrophobicContact CG1-CG1 4.48Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.02Å; V63-I67 PolarHBondContact O-N 3.46Å
64V82.7Confident79Confident16 Ų1650.9 Ų50.910%0.09727%0.268CS..Hα-helixtrans-57.7-49.1177.5172.90000111.6E60 S66 I67 F68 P126E60-V64 HydrophobicContact CG-CG2 4.37Å; E60-V64 VanDerWaalsContact O-CG2 3.31Å; E60-V64 WeakPolarHBondContact O-CG2 3.21Å; E60-V64 PolarHBondContact O-N 2.78Å; V64-S66 VanDerWaalsContact C-N 3.31Å; V64-S66 PolarHBondContact O-N 3.37Å; V64-I67 PolarHBondContact O-N 3.24Å; V64-F68 HydrophobicContact CG1-CD2 3.91Å; V64-F68 HydrophobicContact CG1-CE1 4.2Å; V64-F68 HydrophobicContact CG1-CE2 3.35Å; V64-F68 HydrophobicContact CG1-CZ 3.49Å; V64-F68 VanDerWaalsContact CG1-CZ 3.49Å; V64-F68 WeakPolarHBondContact O-CG 3.39Å; V64-F68 PolarHBondContact O-N 3.01Å; V64-P126 HydrophobicContact CG2-CB 3.68Å; V64-P126 HydrophobicContact CG2-CG 3.6Å
65K84.9Confident81.2Confident119 Ų11948 Ų4852%0.51725%0.251SS..Hα-helixtrans-60.8-40.9177.9-77.8176.9-179.51760112Y61 E62 V63 F68 A69Y61-K65 HydrophobicContact CD2-CD 4.38Å; Y61-K65 WeakPolarHBondContact O-CB 3.37Å; Y61-K65 VanDerWaalsContact O-CG 3.32Å; Y61-K65 WeakPolarHBondContact O-CG 3.49Å; Y61-K65 PolarHBondContact O-N 3.48Å; E62-K65 PolarHBondContact O-N 3Å; V63-K65 PolarHBondContact O-N 2.63Å; K65-F68 PolarHBondContact O-N 3.15Å; K65-A69 WeakPolarHBondContact O-CB 3.25Å; K65-A69 PolarHBondContact O-N 3.5Å
66S87Confident82.9Confident42 Ų4252.2 Ų52.229%0.29426%0.262SS..Hα-helixtrans-64.6-45.1178.6-58.90000111.3E62 V63 V64 F68 A69 Y70E62-S66 VanDerWaalsContact O-CB 3.31Å; E62-S66 WeakPolarHBondContact O-CB 3.47Å; E62-S66 PolarHBondContact O-N 3.41Å; E62-S66 PolarHBondContact O-OG 3.12Å; V63-S66 PolarHBondContact O-N 3.16Å; V64-S66 VanDerWaalsContact C-N 3.31Å; V64-S66 PolarHBondContact O-N 3.37Å; S66-F68 PolarHBondContact O-N 2.95Å; S66-A69 PolarHBondContact O-N 3.2Å; S66-Y70 WeakPolarHBondContact O-CB 3.29Å; S66-Y70 PolarHBondContact O-N 3.02Å
67I89.6Confident84.5Confident1 Ų147.3 Ų47.31%0.00524%0.238CC..Hα-helixtrans-59.1-49.1176.1-68.8166.4000110.3M39 I42 I43 C46 V63 V64 A69 Y70 I71 P126 Y131M39-I67 HydrophobicContact CE-CG2 4.09Å; I42-I67 HydrophobicContact CG2-CG2 4.3Å; I43-I67 HydrophobicContact CG1-CD1 4.18Å; C46-I67 HydrophobicContact CB-CD1 4.37Å; C46-I67 HydrophobicContact CB-CG1 3.52Å; V63-I67 HydrophobicContact CG1-CD1 3.82Å; V63-I67 HydrophobicContact CG1-CG1 4.48Å; V63-I67 VanDerWaalsContact O-CG1 3.31Å; V63-I67 WeakPolarHBondContact O-CG1 3.02Å; V63-I67 PolarHBondContact O-N 3.46Å; V64-I67 PolarHBondContact O-N 3.24Å; I67-A69 PolarHBondContact O-N 2.63Å; I67-Y70 PolarHBondContact O-N 3.25Å; I67-I71 HydrophobicContact CG2-CD1 3.8Å; I67-I71 HydrophobicContact CG2-CG1 4.35Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.33Å; I67-I71 PolarHBondContact O-N 3.02Å; I67-P126 HydrophobicContact CD1-CG 3.94Å; I67-Y131 HydrophobicContact CG2-CE1 3.87Å
68F91.5Very high86Confident22 Ų2245.4 Ų45.410%0.09622%0.221CC..Hα-helixtrans-63.8-40.8180-68.5-8.4000112.9V64 K65 S66 Y70 I71 E72 G130 Y131 F134 L560V64-F68 HydrophobicContact CG1-CD2 3.91Å; V64-F68 HydrophobicContact CG1-CE1 4.2Å; V64-F68 HydrophobicContact CG1-CE2 3.35Å; V64-F68 HydrophobicContact CG1-CZ 3.49Å; V64-F68 VanDerWaalsContact CG1-CZ 3.49Å; V64-F68 WeakPolarHBondContact O-CG 3.39Å; V64-F68 PolarHBondContact O-N 3.01Å; K65-F68 PolarHBondContact O-N 3.15Å; S66-F68 PolarHBondContact O-N 2.95Å; F68-Y70 VanDerWaalsContact C-N 3.3Å; F68-Y70 PolarHBondContact O-N 3.14Å; F68-I71 HydrophobicContact CD1-CD1 4.46Å; F68-E72 VanDerWaalsContact O-CB 3.26Å; F68-E72 WeakPolarHBondContact O-CB 3.37Å; F68-E72 PolarHBondContact O-N 3.16Å; F68-G130 WeakPolarHBondContact CZ-O 3.42Å; F68-Y131 HydrophobicContact CE1-CD1 4.19Å; F68-Y131 HydrophobicContact CE1-CE1 4.45Å; F68-F134 HydrophobicContact CB-CD2 3.76Å; F68-F134 HydrophobicContact CB-CE2 3.54Å; F68-F134 HydrophobicContact CB-CG 4.41Å; F68-F134 HydrophobicContact CB-CZ 4.02Å; F68-F134 HydrophobicContact CD1-CB 3.94Å; F68-F134 AromaticContact CD1-CD1 3.96Å; F68-F134 HydrophobicContact CD1-CD1 3.96Å; F68-F134 AromaticContact CD1-CD2 3.82Å; F68-F134 HydrophobicContact CD1-CD2 3.82Å; F68-F134 HydrophobicContact CD1-CE1 4.42Å; F68-F134 HydrophobicContact CD1-CE2 4.31Å; F68-F134 AromaticContact CD1-CG 3.63Å; F68-F134 HydrophobicContact CD1-CG 3.63Å; F68-F134 HydrophobicContact CD2-CB 4.19Å; F68-F134 AromaticContact CD2-CD2 3.58Å; F68-F134 HydrophobicContact CD2-CD2 3.58Å; F68-F134 HydrophobicContact CD2-CE2 4.23Å; F68-F134 HydrophobicContact CD2-CG 4.06Å; F68-F134 HydrophobicContact CE1-CB 3.61Å; F68-F134 HydrophobicContact CE1-CD1 4.33Å; F68-F134 HydrophobicContact CE1-CD2 4.35Å; F68-F134 AromaticContact CE1-CG 3.86Å; F68-F134 HydrophobicContact CE1-CG 3.86Å; F68-F134 HydrophobicContact CE2-CB 3.87Å; F68-F134 HydrophobicContact CE2-CD2 4.12Å; F68-F134 HydrophobicContact CE2-CG 4.25Å; F68-F134 HydrophobicContact CG-CB 4.24Å; F68-F134 HydrophobicContact CG-CD1 4.38Å; F68-F134 AromaticContact CG-CD2 3.43Å; F68-F134 HydrophobicContact CG-CD2 3.43Å; F68-F134 VanDerWaalsContact CG-CD2 3.43Å; F68-F134 AromaticContact CG-CE2 3.78Å; F68-F134 HydrophobicContact CG-CE2 3.78Å; F68-F134 AromaticContact CG-CG 3.76Å; F68-F134 HydrophobicContact CG-CG 3.76Å; F68-F134 HydrophobicContact CG-CZ 4.38Å; F68-F134 HydrophobicContact CZ-CB 3.6Å; F68-F134 HydrophobicContact CZ-CD2 4.49Å; F68-F134 HydrophobicContact CZ-CG 4.18Å; F68-L560 HydrophobicContact CE2-CD2 4.37Å
69A90.8Very high87.3Confident62 Ų6249.3 Ų49.351%0.51224%0.236SC..Hα-helixtrans-63.4-38.7174.900000111.6K65 S66 I67 E72 M73K65-A69 WeakPolarHBondContact O-CB 3.25Å; K65-A69 PolarHBondContact O-N 3.5Å; S66-A69 PolarHBondContact O-N 3.2Å; I67-A69 PolarHBondContact O-N 2.63Å; A69-E72 PolarHBondContact O-N 2.85Å; A69-M73 WeakPolarHBondContact O-CB 3.44Å; A69-M73 PolarHBondContact O-N 2.87Å
70Y91.6Very high88.5Confident43 Ų4346.9 Ų46.917%0.16922%0.22CC..Hα-helixtrans-69.5-46.7179.4-162.1-84.2000112.1I42 S66 I67 F68 E72 M73 L74 Y189 E212I42-Y70 HydrophobicContact CB-CD1 4.22Å; I42-Y70 HydrophobicContact CD1-CD1 4.05Å; I42-Y70 HydrophobicContact CD1-CE1 4.35Å; I42-Y70 HydrophobicContact CG1-CD1 3.81Å; I42-Y70 HydrophobicContact CG1-CE1 3.91Å; I42-Y70 HydrophobicContact CG2-CD1 3.61Å; I42-Y70 HydrophobicContact CG2-CE1 4.44Å; I42-Y70 HydrophobicContact CG2-CG 4.06Å; S66-Y70 WeakPolarHBondContact O-CB 3.29Å; S66-Y70 PolarHBondContact O-N 3.02Å; I67-Y70 PolarHBondContact O-N 3.25Å; F68-Y70 VanDerWaalsContact C-N 3.3Å; F68-Y70 PolarHBondContact O-N 3.14Å; Y70-E72 VanDerWaalsContact C-N 3.28Å; Y70-E72 PolarHBondContact O-N 2.93Å; Y70-M73 HydrophobicContact CD1-CE 4.44Å; Y70-M73 HydrophobicContact CD2-CE 4.16Å; Y70-M73 HydrophobicContact CE1-CE 4.13Å; Y70-M73 HydrophobicContact CE2-CE 3.84Å; Y70-M73 HydrophobicContact CG-CE 4.44Å; Y70-M73 WeakPolarHBondContact O-CB 3.27Å; Y70-M73 PolarHBondContact O-N 2.8Å; Y70-L74 HydrophobicContact CD1-CD1 3.94Å; Y70-L74 HydrophobicContact CD1-CG 4.15Å; Y70-L74 HydrophobicContact CE1-CD1 3.67Å; Y70-L74 HydrophobicContact CE1-CD2 4.2Å; Y70-L74 HydrophobicContact CE1-CG 3.88Å; Y70-L74 PolarHBondContact O-N 2.84Å; Y70-Y189 HydrophobicContact CE1-CE1 4.26Å; Y70-Y189 HydrophobicContact CE1-CE2 4.43Å; Y70-Y189 AromaticContact CE1-CZ 3.8Å; Y70-Y189 WeakPolarHBondContact CE1-OH 3.39Å; Y70-Y189 PolarHBondContact OH-OH 3.43Å; Y70-E212 PolarHBondContact OH-OE1 3.11Å
71I94.1Very high89.6Confident0 Ų047.7 Ų47.70%022%0.223CC..Hα-helixtrans-55.9-46.5173.2-66.5167000110.4L37 M39 I42 I67 F68 M73 L74 F75 F84 M86 Y131 F134L37-I71 HydrophobicContact CD1-CG1 4.33Å; L37-I71 HydrophobicContact CD1-CG2 4.08Å; M39-I71 HydrophobicContact CE-CD1 3.45Å; M39-I71 VanDerWaalsContact CE-CD1 3.45Å; M39-I71 HydrophobicContact CE-CG1 3.87Å; M39-I71 HydrophobicContact SD-CD1 4.31Å; M39-I71 HydrophobicContact SD-CG1 4.34Å; I42-I71 HydrophobicContact CD1-CG1 4.39Å; I67-I71 HydrophobicContact CG2-CD1 3.8Å; I67-I71 HydrophobicContact CG2-CG1 4.35Å; I67-I71 VanDerWaalsContact O-CG1 3.29Å; I67-I71 WeakPolarHBondContact O-CG1 3.33Å; I67-I71 PolarHBondContact O-N 3.02Å; F68-I71 HydrophobicContact CD1-CD1 4.46Å; I71-M73 VanDerWaalsContact C-N 3.34Å; I71-M73 PolarHBondContact O-N 2.77Å; I71-L74 PolarHBondContact O-N 2.82Å; I71-F75 WeakPolarHBondContact O-CB 3.06Å; I71-F75 PolarHBondContact O-N 3.21Å; I71-F84 HydrophobicContact CG2-CE1 4.1Å; I71-F84 HydrophobicContact CG2-CZ 3.74Å; I71-M86 HydrophobicContact CD1-SD 4.31Å; I71-M86 HydrophobicContact CG2-SD 4.25Å; I71-Y131 HydrophobicContact CD1-CE1 4.45Å; I71-F134 HydrophobicContact CB-CE1 4.15Å; I71-F134 HydrophobicContact CD1-CE1 4.22Å; I71-F134 HydrophobicContact CG2-CE1 3.81Å; I71-F134 HydrophobicContact CG2-CZ 4.45Å
72E93Very high90.5Very high24 Ų2448 Ų4811%0.11223%0.226CC..Hα-helixtrans-61.5-42.4179.4175.366.8165.100112.2F68 A69 Y70 F75 R76 K138F68-E72 VanDerWaalsContact O-CB 3.26Å; F68-E72 WeakPolarHBondContact O-CB 3.37Å; F68-E72 PolarHBondContact O-N 3.16Å; A69-E72 PolarHBondContact O-N 2.85Å; Y70-E72 VanDerWaalsContact C-N 3.28Å; Y70-E72 PolarHBondContact O-N 2.93Å; E72-F75 PolarHBondContact O-N 2.88Å; E72-R76 WeakPolarHBondContact O-CB 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.37Å; E72-R76 PolarHBondContact O-N 2.81Å; E72-R76 IonicContact OE1-CZ 2.75Å; E72-R76 IonicContact OE1-NE 3.73Å; E72-R76 PolarHBondContact OE1-NE 3.1Å; E72-R76 IonicContact OE1-NH2 2.64Å; E72-R76 PolarHBondContact OE1-NH2 3.27Å; E72-K138 IonicContact OE1-NZ 2.84Å; E72-K138 PolarHBondContact OE1-NZ 3.09Å; E72-K138 WeakPolarHBondContact OE2-CE 3.36Å; E72-K138 IonicContact OE2-NZ 2.8Å; E72-K138 PolarHBondContact OE2-NZ 2.95Å
73M91.9Very high91.2Very high79 Ų7944.5 Ų44.539%0.38921%0.21SC..Hα-helixtrans-58.4-52.8176.3177.3-79.2-66.100110.3A69 Y70 I71 F75 R76 V77A69-M73 WeakPolarHBondContact O-CB 3.44Å; A69-M73 PolarHBondContact O-N 2.87Å; Y70-M73 HydrophobicContact CD1-CE 4.44Å; Y70-M73 HydrophobicContact CD2-CE 4.16Å; Y70-M73 HydrophobicContact CE1-CE 4.13Å; Y70-M73 HydrophobicContact CE2-CE 3.84Å; Y70-M73 HydrophobicContact CG-CE 4.44Å; Y70-M73 WeakPolarHBondContact O-CB 3.27Å; Y70-M73 PolarHBondContact O-N 2.8Å; I71-M73 VanDerWaalsContact C-N 3.34Å; I71-M73 PolarHBondContact O-N 2.77Å; M73-F75 VanDerWaalsContact C-N 3.32Å; M73-F75 PolarHBondContact O-N 2.93Å; M73-R76 PolarHBondContact O-N 2.83Å; M73-V77 VanDerWaalsContact O-CG2 3.27Å; M73-V77 WeakPolarHBondContact O-CG2 3.35Å; M73-V77 PolarHBondContact O-N 2.95Å; M73-V77 HydrophobicContact SD-CG2 3.99Å
74L93.1Very high92Very high5 Ų544.5 Ų44.53%0.02621%0.209CC..Hα-helixtrans-58.6-44.7178.4-67.4179.8000111.9L37 I42 Y70 I71 R76 V77 V78 Y189 L210L37-L74 HydrophobicContact CD1-CD1 4.36Å; L37-L74 HydrophobicContact CD2-CD1 3.77Å; I42-L74 HydrophobicContact CD1-CD1 3.79Å; Y70-L74 HydrophobicContact CD1-CD1 3.94Å; Y70-L74 HydrophobicContact CD1-CG 4.15Å; Y70-L74 HydrophobicContact CE1-CD1 3.67Å; Y70-L74 HydrophobicContact CE1-CD2 4.2Å; Y70-L74 HydrophobicContact CE1-CG 3.88Å; Y70-L74 PolarHBondContact O-N 2.84Å; I71-L74 PolarHBondContact O-N 2.82Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 3.1Å; L74-V77 PolarHBondContact O-N 3.19Å; L74-V78 WeakPolarHBondContact O-CG2 3.13Å; L74-V78 PolarHBondContact O-N 2.94Å; L74-Y189 HydrophobicContact CD1-CD1 3.7Å; L74-Y189 HydrophobicContact CD1-CD2 3.81Å; L74-Y189 HydrophobicContact CD1-CE1 3.88Å; L74-Y189 HydrophobicContact CD1-CE2 3.97Å; L74-Y189 HydrophobicContact CD1-CG 3.68Å; L74-Y189 HydrophobicContact CD2-CD2 3.75Å; L74-Y189 HydrophobicContact CD2-CE2 3.76Å; L74-Y189 HydrophobicContact CD2-CG 4.42Å; L74-Y189 HydrophobicContact CG-CD2 4.46Å; L74-L210 HydrophobicContact CD2-CD2 3.91Å
75F94.4Very high92.6Very high1 Ų143.7 Ų43.70%0.00421%0.205CC..Hα-helixtrans-60.4-43178.7-173.3-87.1000112I71 E72 M73 V77 R79 P80 F84 L144 W145 I148I71-F75 WeakPolarHBondContact O-CB 3.06Å; I71-F75 PolarHBondContact O-N 3.21Å; E72-F75 PolarHBondContact O-N 2.88Å; M73-F75 VanDerWaalsContact C-N 3.32Å; M73-F75 PolarHBondContact O-N 2.93Å; F75-V77 VanDerWaalsContact C-N 3.33Å; F75-V77 PolarHBondContact O-N 2.87Å; F75-R79 WeakPolarHBondContact O-CA 3.46Å; F75-R79 PolarHBondContact O-N 3.3Å; F75-P80 HydrophobicContact CD2-CG 4.04Å; F75-P80 HydrophobicContact CE2-CG 3.57Å; F75-P80 HydrophobicContact CZ-CG 4.15Å; F75-F84 HydrophobicContact CD2-CB 4.44Å; F75-F84 AromaticContact CD2-CD1 3.79Å; F75-F84 HydrophobicContact CD2-CD1 3.79Å; F75-F84 HydrophobicContact CD2-CD2 4.03Å; F75-F84 AromaticContact CD2-CE1 3.99Å; F75-F84 HydrophobicContact CD2-CE1 3.99Å; F75-F84 HydrophobicContact CD2-CE2 4.18Å; F75-F84 AromaticContact CD2-CG 3.83Å; F75-F84 HydrophobicContact CD2-CG 3.83Å; F75-F84 HydrophobicContact CD2-CZ 4.17Å; F75-F84 HydrophobicContact CE2-CB 4Å; F75-F84 AromaticContact CE2-CD1 3.93Å; F75-F84 HydrophobicContact CE2-CD1 3.93Å; F75-F84 HydrophobicContact CE2-CD2 4.41Å; F75-F84 AromaticContact CE2-CG 3.87Å; F75-F84 HydrophobicContact CE2-CG 3.87Å; F75-L144 HydrophobicContact CE1-CB 3.77Å; F75-L144 HydrophobicContact CE1-CD1 4.43Å; F75-L144 HydrophobicContact CZ-CB 4.33Å; F75-W145 AromaticContact CD1-CD1 3.82Å; F75-W145 AromaticContact CD1-NE1 3.29Å; F75-W145 VanDerWaalsContact CD1-NE1 3.29Å; F75-W145 HydrophobicContact CD2-CZ2 4.16Å; F75-W145 AromaticContact CE1-CD1 3.34Å; F75-W145 HydrophobicContact CE1-CG 4.15Å; F75-W145 AromaticContact CE1-NE1 3.32Å; F75-W145 VanDerWaalsContact CE1-NE1 3.32Å; F75-W145 HydrophobicContact CE2-CD2 4.36Å; F75-W145 HydrophobicContact CG-CZ2 4.21Å; F75-W145 AromaticContact CG-NE1 3.68Å; F75-W145 AromaticContact CZ-CD1 3.65Å; F75-W145 HydrophobicContact CZ-CD2 4.28Å; F75-W145 HydrophobicContact CZ-CG 4.01Å; F75-W145 AromaticContact CZ-NE1 3.73Å; F75-I148 HydrophobicContact CE2-CD1 3.47Å; F75-I148 VanDerWaalsContact CE2-CD1 3.47Å; F75-I148 HydrophobicContact CZ-CD1 3.6Å
76R91.8Very high93.1Very high115 Ų11538.1 Ų38.143%0.43418%0.18SC..Hα-helixtrans-69.9-29.2178.8-76.3-169.9179.3-68.2-18.9113.8E72 M73 L74 R79 D142E72-R76 WeakPolarHBondContact O-CB 3.26Å; E72-R76 WeakPolarHBondContact O-CG 3.37Å; E72-R76 PolarHBondContact O-N 2.81Å; E72-R76 IonicContact OE1-CZ 2.75Å; E72-R76 IonicContact OE1-NE 3.73Å; E72-R76 PolarHBondContact OE1-NE 3.1Å; E72-R76 IonicContact OE1-NH2 2.64Å; E72-R76 PolarHBondContact OE1-NH2 3.27Å; M73-R76 PolarHBondContact O-N 2.83Å; L74-R76 VanDerWaalsContact C-N 3.34Å; L74-R76 PolarHBondContact O-N 3.1Å; R76-R79 WeakPolarHBondContact O-CG 3.43Å; R76-R79 PolarHBondContact O-NE 3.36Å; R76-R79 VanDerWaalsContact O-NE 3.09Å; R76-D142 IonicContact CZ-OD2 3.26Å; R76-D142 IonicContact NH2-OD2 2.68Å; R76-D142 PolarHBondContact NH2-OD2 3.31Å
77V88.4Confident93.3Very high21 Ų2136.1 Ų36.113%0.12717%0.166CC..Hα-helixtrans-71.5-51.2175.4169.30000110.3L22 Y26 I29 M73 L74 F75L22-V77 HydrophobicContact CD1-CG1 3.85Å; L22-V77 HydrophobicContact CD2-CG1 3.5Å; L22-V77 VanDerWaalsContact CD2-CG1 3.5Å; L22-V77 HydrophobicContact CG-CG1 4.29Å; Y26-V77 HydrophobicContact CE1-CG2 4.23Å; I29-V77 HydrophobicContact CD1-CG1 3.9Å; M73-V77 VanDerWaalsContact O-CG2 3.27Å; M73-V77 WeakPolarHBondContact O-CG2 3.35Å; M73-V77 PolarHBondContact O-N 2.95Å; M73-V77 HydrophobicContact SD-CG2 3.99Å; L74-V77 PolarHBondContact O-N 3.19Å; F75-V77 VanDerWaalsContact C-N 3.33Å; F75-V77 PolarHBondContact O-N 2.87Å
78V91.3Very high93.4Very high8 Ų836.7 Ų36.75%0.04817%0.17CC..Hα-helixtrans-82.1-36.5-172.4177.50000112.9F32 L35 L74 C187 L210F32-V78 HydrophobicContact CB-CG1 3.95Å; F32-V78 HydrophobicContact CD2-CG1 3.65Å; F32-V78 HydrophobicContact CE2-CG1 4.45Å; F32-V78 HydrophobicContact CG-CG1 4.06Å; L35-V78 HydrophobicContact CB-CG1 4.09Å; L35-V78 HydrophobicContact CD1-CB 4.38Å; L35-V78 HydrophobicContact CD1-CG1 4.13Å; L35-V78 HydrophobicContact CD1-CG2 4.09Å; L35-V78 HydrophobicContact CD2-CB 4.04Å; L35-V78 HydrophobicContact CD2-CG1 4.26Å; L35-V78 HydrophobicContact CD2-CG2 4.34Å; L35-V78 HydrophobicContact CG-CG1 4.38Å; L74-V78 WeakPolarHBondContact O-CG2 3.13Å; L74-V78 PolarHBondContact O-N 2.94Å; V78-C187 HydrophobicContact CG1-CB 4.02Å; V78-L210 HydrophobicContact CG2-CD2 3.72Å
79R93.2Very high93.2Very high164 Ų16437.3 Ų37.362%0.61917%0.174SC*.  trans49.661.1-178.8-55-178.5-178.3177.6-2113.3F75 R76F75-R79 WeakPolarHBondContact O-CA 3.46Å; F75-R79 PolarHBondContact O-N 3.3Å; R76-R79 WeakPolarHBondContact O-CG 3.43Å; R76-R79 PolarHBondContact O-NE 3.36Å; R76-R79 VanDerWaalsContact O-NE 3.09Å
80P96.6Very high93Very high8 Ų835 Ų355%0.05216%0.156CC..  trans-59.1142.8-179.727.9-36.6000111.8F32 L35 F75 L83 F84 I148F32-P80 WeakPolarHBondContact O-CA 3.14Å; L35-P80 HydrophobicContact CB-CB 3.78Å; L35-P80 HydrophobicContact CB-CG 3.81Å; L35-P80 HydrophobicContact CD2-CG 4.34Å; F75-P80 HydrophobicContact CD2-CG 4.04Å; F75-P80 HydrophobicContact CE2-CG 3.57Å; F75-P80 HydrophobicContact CZ-CG 4.15Å; P80-L83 WeakPolarHBondContact CB-O 3.32Å; P80-F84 HydrophobicContact CG-CB 4.33Å; P80-I148 HydrophobicContact CG-CD1 4.13Å; P80-I148 WeakPolarHBondContact O-CG2 3.41Å
81K96Very high92.9Very high103 Ų10333.5 Ų33.545%0.44815%0.151SC..SBendtrans-95.8-20.5-175-66.1-177.1175.9-172.40115.5E31 F32 D33E31-K81 IonicContact OE1-NZ 3.48Å; E31-K81 PolarHBondContact OE1-NZ 2.9Å; E31-K81 IonicContact OE2-NZ 3.64Å; E31-K81 PolarHBondContact OE2-NZ 2.74Å; F32-K81 PolarHBondContact O-N 3.01Å; D33-K81 PolarHBondContact O-N 3.21Å
82K95.9Very high92.7Very high97 Ų9733.6 Ų33.642%0.42215%0.152SC..SBendtrans-126.4-46.3-173.5-65.9-176.9-178.4137.20112.6D33 K149D33-K82 HydrophobicContact CB-CB 4.49Å; D33-K82 HydrophobicContact CB-CD 4.04Å; D33-K82 HydrophobicContact CB-CG 4.3Å; D33-K82 VanDerWaalsContact CG-NZ 3.32Å; D33-K82 WeakPolarHBondContact O-CA 3.38Å; D33-K82 WeakPolarHBondContact O-CB 3.26Å; D33-K82 PolarHBondContact O-N 2.84Å; D33-K82 WeakPolarHBondContact OD1-CD 3.21Å; D33-K82 WeakPolarHBondContact OD1-CE 3.25Å; D33-K82 IonicContact OD1-NZ 2.78Å; D33-K82 PolarHBondContact OD1-NZ 3.46Å; D33-K82 IonicContact OD2-NZ 3.77Å; K82-K149 PolarHBondContact O-N 2.83Å
83L96.5Very high92.7Very high4 Ų432.5 Ų32.52%0.02115%0.147CC..EExtended strand (participates in β ladder)trans-140.5139.8-171.7-176.374.5000112.5D33 N34 L35 Y36 P80 F85 K149 I151 Y170D33-L83 PolarHBondContact O-N 2.88Å; D33-L83 VanDerWaalsContact O-N 3.14Å; N34-L83 WeakPolarHBondContact CA-O 3.42Å; N34-L83 HydrophobicContact CB-CB 4.17Å; N34-L83 HydrophobicContact CB-CD2 4.47Å; N34-L83 VanDerWaalsContact OD1-CB 3.26Å; N34-L83 WeakPolarHBondContact OD1-CB 3.33Å; L35-L83 PolarHBondContact N-O 2.94Å; Y36-L83 HydrophobicContact CE1-CD2 3.95Å; P80-L83 WeakPolarHBondContact CB-O 3.32Å; L83-F85 HydrophobicContact CD2-CB 4.46Å; L83-K149 CarbonylContact C-O 3.6Å; L83-K149 WeakPolarHBondContact CA-O 3.35Å; L83-K149 HydrophobicContact CD1-CB 3.86Å; L83-I151 HydrophobicContact CD1-CD1 3.76Å; L83-I151 HydrophobicContact CD1-CG1 3.92Å; L83-Y170 HydrophobicContact CD2-CD1 3.98Å; L83-Y170 HydrophobicContact CD2-CE1 3.13Å; L83-Y170 WeakPolarHBondContact CD2-OH 3.4Å
84F97.3Very high92.6Very high0 Ų030.9 Ų30.90%014%0.137CC..EExtended strand (participates in β ladder)trans-123117.8164.1-179.7-135.3000110.4L35 L37 I71 F75 P80 M86 W145 I148 K149 V150 I151L35-F84 HydrophobicContact CB-CD2 3.94Å; L35-F84 HydrophobicContact CB-CE2 4.5Å; L35-F84 HydrophobicContact CD2-CD2 3.64Å; L35-F84 HydrophobicContact CD2-CE2 3.47Å; L35-F84 VanDerWaalsContact CD2-CE2 3.47Å; L35-F84 HydrophobicContact CG-CD2 3.73Å; L35-F84 HydrophobicContact CG-CE2 3.78Å; L35-F84 CarbonylContact O-C 3.57Å; L35-F84 WeakPolarHBondContact O-CA 3.41Å; L37-F84 HydrophobicContact CD1-CE2 3.57Å; L37-F84 HydrophobicContact CD1-CZ 3.48Å; L37-F84 VanDerWaalsContact CD1-CZ 3.48Å; L37-F84 HydrophobicContact CD2-CE2 4.24Å; L37-F84 HydrophobicContact CG-CE2 3.6Å; L37-F84 HydrophobicContact CG-CZ 4.03Å; I71-F84 HydrophobicContact CG2-CE1 4.1Å; I71-F84 HydrophobicContact CG2-CZ 3.74Å; F75-F84 HydrophobicContact CD2-CB 4.44Å; F75-F84 AromaticContact CD2-CD1 3.79Å; F75-F84 HydrophobicContact CD2-CD1 3.79Å; F75-F84 HydrophobicContact CD2-CD2 4.03Å; F75-F84 AromaticContact CD2-CE1 3.99Å; F75-F84 HydrophobicContact CD2-CE1 3.99Å; F75-F84 HydrophobicContact CD2-CE2 4.18Å; F75-F84 AromaticContact CD2-CG 3.83Å; F75-F84 HydrophobicContact CD2-CG 3.83Å; F75-F84 HydrophobicContact CD2-CZ 4.17Å; F75-F84 HydrophobicContact CE2-CB 4Å; F75-F84 AromaticContact CE2-CD1 3.93Å; F75-F84 HydrophobicContact CE2-CD1 3.93Å; F75-F84 HydrophobicContact CE2-CD2 4.41Å; F75-F84 AromaticContact CE2-CG 3.87Å; F75-F84 HydrophobicContact CE2-CG 3.87Å; P80-F84 HydrophobicContact CG-CB 4.33Å; F84-M86 HydrophobicContact CD1-CG 4.46Å; F84-M86 HydrophobicContact CE1-CE 4.41Å; F84-M86 HydrophobicContact CE1-CG 3.78Å; F84-M86 HydrophobicContact CE1-SD 3.66Å; F84-M86 HydrophobicContact CE2-CG 4.25Å; F84-M86 HydrophobicContact CZ-CG 3.67Å; F84-M86 HydrophobicContact CZ-SD 3.88Å; F84-W145 HydrophobicContact CD1-CE3 4.47Å; F84-W145 AromaticContact CD1-CH2 3.77Å; F84-W145 HydrophobicContact CD1-CH2 3.77Å; F84-W145 HydrophobicContact CD1-CZ2 4.21Å; F84-W145 AromaticContact CD1-CZ3 3.89Å; F84-W145 HydrophobicContact CD1-CZ3 3.89Å; F84-W145 AromaticContact CE1-CH2 3.37Å; F84-W145 HydrophobicContact CE1-CH2 3.37Å; F84-W145 AromaticContact CE1-CZ2 3.8Å; F84-W145 HydrophobicContact CE1-CZ2 3.8Å; F84-W145 AromaticContact CE1-CZ3 3.94Å; F84-W145 HydrophobicContact CE1-CZ3 3.94Å; F84-I148 HydrophobicContact CB-CD1 3.57Å; F84-K149 PolarHBondContact N-O 3.47Å; F84-V150 HydrophobicContact CB-CG2 4.39Å; F84-V150 HydrophobicContact CD1-CG1 4.04Å; F84-V150 HydrophobicContact CD1-CG2 4.4Å; F84-V150 CarbonylContact O-C 3.21Å; F84-V150 VanDerWaalsContact O-CA 3.25Å; F84-V150 WeakPolarHBondContact O-CA 3.34Å; F84-I151 PolarHBondContact O-N 3.47Å
85F95.8Very high92.5Very high0 Ų030.9 Ų30.90%014%0.138CC..EExtended strand (participates in β ladder)trans-114.2127.7-176.2-165.9-68000109.7L35 Y36 L37 L83 A87 I151 K166 I167 Y170 F577L35-F85 PolarHBondContact O-N 3.42Å; Y36-F85 CarbonylContact C-O 3.56Å; Y36-F85 WeakPolarHBondContact CA-O 3.26Å; Y36-F85 HydrophobicContact CD1-CB 3.52Å; Y36-F85 HydrophobicContact CD1-CD2 4.42Å; Y36-F85 AromaticContact CD1-CG 3.97Å; Y36-F85 HydrophobicContact CD1-CG 3.97Å; Y36-F85 HydrophobicContact CE1-CB 4.13Å; Y36-F85 HydrophobicContact CG-CB 4.35Å; L37-F85 PolarHBondContact N-O 2.89Å; L83-F85 HydrophobicContact CD2-CB 4.46Å; F85-A87 HydrophobicContact CD1-CB 4.12Å; F85-A87 HydrophobicContact CE1-CB 3.74Å; F85-I151 CarbonylContact C-O 3.57Å; F85-I151 WeakPolarHBondContact CA-O 3.21Å; F85-I151 HydrophobicContact CD2-CB 3.7Å; F85-I151 HydrophobicContact CD2-CD1 4.03Å; F85-I151 HydrophobicContact CD2-CG1 4.44Å; F85-I151 HydrophobicContact CD2-CG2 3.69Å; F85-I151 HydrophobicContact CE2-CB 4.04Å; F85-I151 HydrophobicContact CE2-CD1 4.23Å; F85-I151 HydrophobicContact CE2-CG2 3.48Å; F85-I151 VanDerWaalsContact CE2-CG2 3.48Å; F85-I151 HydrophobicContact CG-CB 4.23Å; F85-I151 HydrophobicContact CG-CG2 4.36Å; F85-I151 HydrophobicContact CZ-CG2 3.98Å; F85-K166 HydrophobicContact CE1-CB 4.28Å; F85-K166 HydrophobicContact CZ-CB 4.3Å; F85-I167 HydrophobicContact CD1-CG1 3.76Å; F85-I167 HydrophobicContact CE1-CG1 3.87Å; F85-Y170 HydrophobicContact CD2-CD1 4.15Å; F85-Y170 HydrophobicContact CD2-CD2 4.26Å; F85-Y170 AromaticContact CD2-CG 3.92Å; F85-Y170 HydrophobicContact CD2-CG 3.92Å; F85-Y170 HydrophobicContact CE2-CD1 4.33Å; F85-Y170 AromaticContact CE2-CD2 3.86Å; F85-Y170 HydrophobicContact CE2-CD2 3.86Å; F85-Y170 AromaticContact CE2-CG 3.65Å; F85-Y170 HydrophobicContact CE2-CG 3.65Å; F85-F577 HydrophobicContact CE2-CZ 4.39Å
86M94.6Very high92.3Very high1 Ų131.5 Ų31.51%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-117.4121.2174.7-60.1-176.7-67.600109.3L37 M39 I71 F84 V135 V150 I151 Y152 S153L37-M86 HydrophobicContact CD1-CG 4.33Å; M39-M86 HydrophobicContact CG-CB 4.29Å; M39-M86 HydrophobicContact SD-CB 4.22Å; M39-M86 HydrophobicContact SD-CG 4.43Å; I71-M86 HydrophobicContact CD1-SD 4.31Å; I71-M86 HydrophobicContact CG2-SD 4.25Å; F84-M86 HydrophobicContact CD1-CG 4.46Å; F84-M86 HydrophobicContact CE1-CE 4.41Å; F84-M86 HydrophobicContact CE1-CG 3.78Å; F84-M86 HydrophobicContact CE1-SD 3.66Å; F84-M86 HydrophobicContact CE2-CG 4.25Å; F84-M86 HydrophobicContact CZ-CG 3.67Å; F84-M86 HydrophobicContact CZ-SD 3.88Å; M86-V135 HydrophobicContact CE-CG2 3.33Å; M86-V150 HydrophobicContact CE-CG1 4.14Å; M86-I151 PolarHBondContact N-O 3.02Å; M86-Y152 HydrophobicContact CB-CD2 4.33Å; M86-Y152 HydrophobicContact CE-CD2 4.23Å; M86-S153 PolarHBondContact O-N 3Å
87A92.9Very high92.2Very high0 Ų026.1 Ų26.10%012%0.12CC..EExtended strand (participates in β ladder)trans-116.8119.5-177.700000110.4L37 M39 F85 G163 K166 I167L37-A87 PolarHBondContact O-N 3Å; M39-A87 WeakPolarHBondContact CB-O 3.49Å; M39-A87 VanDerWaalsContact CG-O 3.23Å; M39-A87 WeakPolarHBondContact CG-O 3.42Å; M39-A87 PolarHBondContact N-O 2.9Å; F85-A87 HydrophobicContact CD1-CB 4.12Å; F85-A87 HydrophobicContact CE1-CB 3.74Å; A87-G163 VanDerWaalsContact CB-O 3.26Å; A87-G163 WeakPolarHBondContact CB-O 3.41Å; A87-K166 HydrophobicContact CB-CB 4.19Å; A87-I167 HydrophobicContact CB-CD1 3.78Å; A87-I167 HydrophobicContact CB-CG1 3.75Å
88V89.9Confident92.1Very high14 Ų1426.4 Ų26.49%0.08512%0.121CC..  trans-102.6135.9173.3-176.60000108.4M39 I43 G90 Y152 S153 H155 K166M39-V88 HydrophobicContact CB-CG2 3.91Å; M39-V88 HydrophobicContact CG-CG2 3.9Å; I43-V88 HydrophobicContact CD1-CG1 4.3Å; V88-G90 PolarHBondContact O-N 3Å; V88-Y152 HydrophobicContact CG2-CE2 3.88Å; V88-S153 PolarHBondContact N-O 3.31Å; V88-H155 HydrophobicContact CG1-CB 4.18Å; V88-K166 PolarHBondContact O-NZ 3.04Å
89D88Confident91.8Very high34 Ų3427.9 Ų27.918%0.18213%0.127CC..  trans-57.8138.7175.1-8823.9000113.1N40 H155 G163N40-D89 PolarHBondContact ND2-OD1 3.48Å; N40-D89 VanDerWaalsContact ND2-OD1 3.13Å; N40-D89 PolarHBondContact ND2-OD2 3.09Å; N40-D89 VanDerWaalsContact OD1-CB 3.26Å; N40-D89 WeakPolarHBondContact OD1-CB 3.46Å; N40-D89 VanDerWaalsContact OD1-CG 3.29Å; D89-H155 VanDerWaalsContact O-CA 3.27Å; D89-H155 WeakPolarHBondContact O-CA 3.48Å; D89-H155 WeakPolarHBondContact O-CB 3.31Å; D89-G163 WeakPolarHBondContact OD1-CA 3.5Å; D89-G163 PolarHBondContact OD1-N 3.44Å
90G86.6Confident91.5Very high13 Ų1321.6 Ų21.613%0.13411%0.105CC..  trans-119-141.4171.700000111.3V88 A92 H155 G161V88-G90 PolarHBondContact O-N 3Å; G90-A92 PolarHBondContact O-N 2.87Å; G90-H155 WeakPolarHBondContact CA-O 3.31Å; G90-G161 CarbonylContact C-O 3.58Å; G90-G161 VanDerWaalsContact CA-O 3.27Å; G90-G161 WeakPolarHBondContact CA-O 3.01Å; G90-G161 PolarHBondContact N-O 3.05Å
91V89Confident91.1Very high12 Ų1221.7 Ų21.77%0.07310%0.104CC..PPolyproline II helixtrans-74.9123.8-177.21760000110.9G161 W424 L455 P457 Q460V91-G161 WeakPolarHBondContact O-CA 3.32Å; V91-W424 WeakPolarHBondContact O-CZ3 3.41Å; V91-L455 HydrophobicContact CG1-CB 3.99Å; V91-L455 WeakPolarHBondContact CG1-O 3.37Å; V91-P457 HydrophobicContact CG2-CB 4.35Å; V91-P457 HydrophobicContact CG2-CG 4.07Å; V91-Q460 VanDerWaalsContact C-OE1 3.31Å; V91-Q460 HydrophobicContact CG1-CB 4.48Å
92A90.8Very high90.6Very high2 Ų217.8 Ų17.82%0.0179%0.091CC..PPolyproline II helixtrans-87156.6179.100000111.4G90 K96 I97 E162G90-A92 PolarHBondContact O-N 2.87Å; A92-K96 HydrophobicContact CB-CB 3.75Å; A92-K96 HydrophobicContact CB-CG 3.9Å; A92-I97 HydrophobicContact CB-CG1 4.31Å; A92-I97 WeakPolarHBondContact O-CD1 3.32Å; A92-E162 HydrophobicContact CB-CG 4.2Å
93P92.2Very high90Very high1 Ų120.9 Ų20.91%0.00610%0.1CC..PPolyproline II helixtrans-63.1155.1172.427.3-34.2000111.7A95 K96 I97 E162 W412 Y416 V421 W424P93-A95 PolarHBondContact O-N 2.52Å; P93-A95 VanDerWaalsContact O-N 3.13Å; P93-K96 HydrophobicContact CG-CB 4.11Å; P93-K96 WeakPolarHBondContact O-CA 3.38Å; P93-K96 WeakPolarHBondContact O-CB 3.29Å; P93-K96 PolarHBondContact O-N 2.91Å; P93-I97 WeakPolarHBondContact O-CG1 3.34Å; P93-I97 PolarHBondContact O-N 3.2Å; P93-E162 WeakPolarHBondContact CD-OE1 3.49Å; P93-W412 HydrophobicContact CB-CH2 4.07Å; P93-W412 HydrophobicContact CB-CZ2 3.89Å; P93-W412 HydrophobicContact CG-CH2 3.86Å; P93-W412 HydrophobicContact CG-CZ2 4.19Å; P93-Y416 HydrophobicContact CG-CE2 4.3Å; P93-V421 HydrophobicContact CB-CG1 3.91Å; P93-V421 HydrophobicContact CB-CG2 4.22Å; P93-V421 HydrophobicContact CG-CG2 4.11Å; P93-W424 HydrophobicContact CB-CE3 4.17Å; P93-W424 HydrophobicContact CB-CZ3 4.49Å
94R91.3Very high89.3Confident45 Ų4527.4 Ų27.417%0.1712%0.124CC..Hα-helixtrans-52.7-40.1-177.6-171-168.9-172.1171.2-1112.9K96 I97 N98 W424 E425 F427 I509 L511R94-K96 VanDerWaalsContact C-N 3.3Å; R94-K96 PolarHBondContact O-N 3.47Å; R94-I97 PolarHBondContact O-N 3.44Å; R94-I97 VanDerWaalsContact O-N 3.13Å; R94-N98 PolarHBondContact O-N 3Å; R94-W424 VanDerWaalsContact CB-O 3.29Å; R94-W424 WeakPolarHBondContact CB-O 3.43Å; R94-W424 PolarHBondContact N-O 2.9Å; R94-E425 WeakPolarHBondContact CD-O 3.14Å; R94-E425 PolarHBondContact NH1-O 3.01Å; R94-F427 VanDerWaalsContact CD-CD1 3.42Å; R94-F427 HydrophobicContact CG-CB 4.19Å; R94-F427 HydrophobicContact CG-CD1 4.35Å; R94-F427 HydrophobicContact CG-CG 4.36Å; R94-F427 VanDerWaalsContact CZ-CD1 3.43Å; R94-F427 VanDerWaalsContact NE-CD1 3.33Å; R94-I509 PolarHBondContact NH2-O 3.49Å; R94-L511 HydrophobicContact CG-CD1 4.33Å
95A89.4Confident88.7Confident5 Ų527.7 Ų27.74%0.04113%0.125CC..Hα-helixtrans-51.9-46.8174.300000112.2P93 F255 W412 W426 F427P93-A95 PolarHBondContact O-N 2.52Å; P93-A95 VanDerWaalsContact O-N 3.13Å; A95-F255 HydrophobicContact CB-CB 4.21Å; A95-F255 HydrophobicContact CB-CD1 3.71Å; A95-F255 HydrophobicContact CB-CG 4.32Å; A95-W412 HydrophobicContact CB-CH2 3.64Å; A95-W412 HydrophobicContact CB-CZ2 4.01Å; A95-W412 HydrophobicContact CB-CZ3 3.93Å; A95-W426 PolarHBondContact N-O 2.93Å; A95-F427 HydrophobicContact CB-CB 4.32Å
96K90.1Very high88Confident14 Ų1429.2 Ų29.26%0.06113%0.133CC..Hα-helixtrans-70-39.3175.8-161.779.4178.1-1540112.5A92 P93 R94 N98 Q99 Q100 E162 D254 F255A92-K96 HydrophobicContact CB-CB 3.75Å; A92-K96 HydrophobicContact CB-CG 3.9Å; P93-K96 HydrophobicContact CG-CB 4.11Å; P93-K96 WeakPolarHBondContact O-CA 3.38Å; P93-K96 WeakPolarHBondContact O-CB 3.29Å; P93-K96 PolarHBondContact O-N 2.91Å; R94-K96 VanDerWaalsContact C-N 3.3Å; R94-K96 PolarHBondContact O-N 3.47Å; K96-N98 PolarHBondContact O-N 3.35Å; K96-Q99 VanDerWaalsContact CE-OE1 3.29Å; K96-Q99 PolarHBondContact O-N 3.47Å; K96-Q100 HydrophobicContact CG-CG 4.19Å; K96-Q100 PolarHBondContact O-N 2.92Å; K96-E162 WeakPolarHBondContact CD-OE2 3.4Å; K96-E162 WeakPolarHBondContact CE-OE2 3.37Å; K96-E162 IonicContact NZ-OE2 2.62Å; K96-E162 PolarHBondContact NZ-OE2 2.73Å; K96-E162 VanDerWaalsContact NZ-OE2 3.11Å; K96-D254 HydrophobicContact CD-CB 3.94Å; K96-D254 WeakPolarHBondContact CE-OD2 3.05Å; K96-D254 IonicContact NZ-OD2 3.54Å; K96-D254 PolarHBondContact NZ-OD2 3.48Å; K96-F255 HydrophobicContact CB-CD1 4.41Å; K96-F255 HydrophobicContact CB-CE1 3.78Å; K96-F255 HydrophobicContact CD-CD1 4.37Å; K96-F255 HydrophobicContact CD-CE1 3.42Å; K96-F255 VanDerWaalsContact CD-CE1 3.42Å; K96-F255 HydrophobicContact CD-CZ 3.86Å; K96-F255 HydrophobicContact CG-CE1 4.18Å
97I90Very high87.2Confident3 Ų332.5 Ų32.52%0.01516%0.156CC..Hα-helixtrans-57.4-38-175.8-68.4177.3000110.9A92 P93 R94 Q99 Q100 R101 L455 Q460 A463 V464 I509A92-I97 HydrophobicContact CB-CG1 4.31Å; A92-I97 WeakPolarHBondContact O-CD1 3.32Å; P93-I97 WeakPolarHBondContact O-CG1 3.34Å; P93-I97 PolarHBondContact O-N 3.2Å; R94-I97 PolarHBondContact O-N 3.44Å; R94-I97 VanDerWaalsContact O-N 3.13Å; I97-Q99 VanDerWaalsContact C-N 3.34Å; I97-Q99 PolarHBondContact O-N 3.33Å; I97-Q100 PolarHBondContact O-N 3.45Å; I97-R101 WeakPolarHBondContact O-CB 3.44Å; I97-R101 PolarHBondContact O-N 3.25Å; I97-L455 HydrophobicContact CD1-CD1 3.71Å; I97-Q460 HydrophobicContact CD1-CB 4.28Å; I97-Q460 HydrophobicContact CD1-CG 4.01Å; I97-Q460 HydrophobicContact CG1-CG 4.14Å; I97-A463 HydrophobicContact CG2-CB 4.02Å; I97-V464 HydrophobicContact CG2-CG1 3.74Å; I97-I509 HydrophobicContact CG2-CD1 3.45Å; I97-I509 VanDerWaalsContact CG2-CD1 3.45Å
98N87Confident86.4Confident26 Ų2632.9 Ų32.914%0.13916%0.16CC..Hα-helixtrans-61.7-41.7176-70.8-33.8000112.2R94 K96 R101 A102 F427R94-N98 PolarHBondContact O-N 3Å; K96-N98 PolarHBondContact O-N 3.35Å; N98-R101 WeakPolarHBondContact O-CB 3.37Å; N98-R101 PolarHBondContact O-N 3.26Å; N98-A102 PolarHBondContact O-N 2.72Å; N98-F427 WeakPolarHBondContact ND2-CD2 3.25Å
99Q85.5Confident85.8Confident39 Ų3935.4 Ų35.418%0.18217%0.169CC..Hα-helixtrans-71.1-40.9176.9-179.3-112.16.200112K96 I97 R101 A102 R103 D254K96-Q99 VanDerWaalsContact CE-OE1 3.29Å; K96-Q99 PolarHBondContact O-N 3.47Å; I97-Q99 VanDerWaalsContact C-N 3.34Å; I97-Q99 PolarHBondContact O-N 3.33Å; Q99-R101 VanDerWaalsContact C-N 3.34Å; Q99-R101 PolarHBondContact O-N 2.92Å; Q99-A102 PolarHBondContact O-N 3.41Å; Q99-R103 WeakPolarHBondContact O-CG 3.45Å; Q99-R103 PolarHBondContact O-N 3.03Å; Q99-R103 VanDerWaalsContact O-N 3.07Å; Q99-D254 VanDerWaalsContact CB-O 3.23Å; Q99-D254 WeakPolarHBondContact CB-O 3.05Å; Q99-D254 HydrophobicContact CG-CB 4.17Å; Q99-D254 PolarHBondContact NE2-OD1 2.88Å; Q99-D254 PolarHBondContact NE2-OD2 2.8Å; Q99-D254 PolarHBondContact OE1-OD2 3.02Å
100Q86.8Confident85.2Confident32 Ų3237.5 Ų37.515%0.1518%0.18CC..Hα-helixtrans-59.9-44.1171-69.6-172.94.400111.5K96 I97 R103 R104 V464K96-Q100 HydrophobicContact CG-CG 4.19Å; K96-Q100 PolarHBondContact O-N 2.92Å; I97-Q100 PolarHBondContact O-N 3.45Å; Q100-R103 PolarHBondContact O-N 3.45Å; Q100-R104 VanDerWaalsContact O-CG 3.32Å; Q100-R104 WeakPolarHBondContact O-CG 3.18Å; Q100-R104 PolarHBondContact O-N 3Å; Q100-V464 HydrophobicContact CB-CG1 4.12Å
101R87.2Confident84.4Confident11 Ų1138.6 Ų38.64%0.04219%0.189CC..Hα-helixtrans-59-49.6176.3177.7-178168.8123.5-16.8111.2I97 N98 Q99 R103 R104 F105 A463 V464 L506 P507 I509I97-R101 WeakPolarHBondContact O-CB 3.44Å; I97-R101 PolarHBondContact O-N 3.25Å; N98-R101 WeakPolarHBondContact O-CB 3.37Å; N98-R101 PolarHBondContact O-N 3.26Å; Q99-R101 VanDerWaalsContact C-N 3.34Å; Q99-R101 PolarHBondContact O-N 2.92Å; R101-R103 VanDerWaalsContact C-N 3.32Å; R101-R103 PolarHBondContact O-N 2.9Å; R101-R104 PolarHBondContact O-N 2.79Å; R101-R104 VanDerWaalsContact O-N 3.13Å; R101-F105 HydrophobicContact CG-CD2 3.79Å; R101-F105 HydrophobicContact CG-CE2 3.72Å; R101-F105 VanDerWaalsContact O-CD2 3.28Å; R101-F105 WeakPolarHBondContact O-CD2 3.46Å; R101-F105 PolarHBondContact O-N 3.37Å; R101-A463 WeakPolarHBondContact CD-O 3.47Å; R101-A463 PolarHBondContact NH1-O 3.41Å; R101-V464 HydrophobicContact CB-CB 4.38Å; R101-V464 HydrophobicContact CB-CG1 4.28Å; R101-L506 HydrophobicContact CG-CD1 4.24Å; R101-P507 PolarHBondContact NH2-O 3.01Å; R101-I509 VanDerWaalsContact NH1-CG1 3.3Å
102A85.7Confident83.5Confident20 Ų2043.1 Ų43.117%0.16521%0.209CC..Hα-helixtrans-54.8-47.3176.400000111.7N98 Q99 R104 F105 M106 I504N98-A102 PolarHBondContact O-N 2.72Å; Q99-A102 PolarHBondContact O-N 3.41Å; A102-R104 PolarHBondContact O-N 3.3Å; A102-F105 PolarHBondContact O-N 3Å; A102-M106 WeakPolarHBondContact O-CB 3.36Å; A102-M106 PolarHBondContact O-N 3.21Å; A102-I504 HydrophobicContact CB-CB 4.15Å; A102-I504 HydrophobicContact CB-CD1 3.96Å; A102-I504 HydrophobicContact CB-CG2 4.28Å; A102-I504 WeakPolarHBondContact O-CD1 3.44Å
103R83.6Confident82.3Confident162 Ų16248.5 Ų48.561%0.61124%0.235SC*.Hα-helixtrans-59.2-42.8175.9-70.7173.663.7-175.10.3112.8Q99 Q100 R101 S107Q99-R103 WeakPolarHBondContact O-CG 3.45Å; Q99-R103 PolarHBondContact O-N 3.03Å; Q99-R103 VanDerWaalsContact O-N 3.07Å; Q100-R103 PolarHBondContact O-N 3.45Å; R101-R103 VanDerWaalsContact C-N 3.32Å; R101-R103 PolarHBondContact O-N 2.9Å; R103-S107 WeakPolarHBondContact O-CB 3.23Å; R103-S107 PolarHBondContact O-N 3.05Å
104R82.5Confident80.8Confident142 Ų14251 Ų5154%0.53626%0.255SS..Hα-helixtrans-69.3-40.5180-64.3-56.6175.5-179.7-1.6112.6Q100 R101 A102 S107 A108 V464Q100-R104 VanDerWaalsContact O-CG 3.32Å; Q100-R104 WeakPolarHBondContact O-CG 3.18Å; Q100-R104 PolarHBondContact O-N 3Å; R101-R104 PolarHBondContact O-N 2.79Å; R101-R104 VanDerWaalsContact O-N 3.13Å; A102-R104 PolarHBondContact O-N 3.3Å; R104-S107 PolarHBondContact O-N 3.18Å; R104-A108 WeakPolarHBondContact O-CB 3.38Å; R104-A108 PolarHBondContact O-N 3.48Å; R104-V464 VanDerWaalsContact CB-O 3.3Å; R104-V464 WeakPolarHBondContact CB-O 3.38Å; R104-V464 HydrophobicContact CG-CB 4.4Å
105F84.6Confident79.4Confident5 Ų552.3 Ų52.32%0.02227%0.265CS..Hα-helixtrans-65.5-41.8175.6-87.5-110.8000111.7R101 A102 A108 K109 P466 P486 F489 L506R101-F105 HydrophobicContact CG-CD2 3.79Å; R101-F105 HydrophobicContact CG-CE2 3.72Å; R101-F105 VanDerWaalsContact O-CD2 3.28Å; R101-F105 WeakPolarHBondContact O-CD2 3.46Å; R101-F105 PolarHBondContact O-N 3.37Å; A102-F105 PolarHBondContact O-N 3Å; F105-A108 PolarHBondContact O-N 2.97Å; F105-K109 WeakPolarHBondContact O-CB 3.37Å; F105-K109 PolarHBondContact O-N 3.22Å; F105-P466 HydrophobicContact CD1-CB 3.88Å; F105-P466 HydrophobicContact CD2-CB 3.85Å; F105-P466 HydrophobicContact CD2-CG 4.26Å; F105-P466 HydrophobicContact CE1-CB 3.79Å; F105-P466 HydrophobicContact CE2-CB 3.76Å; F105-P466 HydrophobicContact CE2-CG 4.47Å; F105-P466 HydrophobicContact CG-CB 3.93Å; F105-P466 HydrophobicContact CG-CG 4.47Å; F105-P466 HydrophobicContact CZ-CB 3.74Å; F105-P486 HydrophobicContact CE1-CG 4.28Å; F105-F489 HydrophobicContact CB-CE1 3.9Å; F105-F489 HydrophobicContact CB-CZ 4.16Å; F105-F489 HydrophobicContact CD1-CD1 4.06Å; F105-F489 HydrophobicContact CD1-CE1 4.03Å; F105-F489 HydrophobicContact CG-CE1 4.49Å; F105-L506 HydrophobicContact CB-CD1 3.76Å; F105-L506 HydrophobicContact CD1-CD1 4Å; F105-L506 HydrophobicContact CD1-CD2 3.69Å; F105-L506 HydrophobicContact CD2-CD1 4.07Å; F105-L506 HydrophobicContact CE1-CD2 3.94Å; F105-L506 HydrophobicContact CG-CD1 3.67Å; F105-L506 HydrophobicContact CG-CD2 4.24Å
106M80.6Confident77.8Confident32 Ų3256.3 Ų56.316%0.15830%0.299CS..Hα-helixtrans-65.2-42.4175.6-159.763.2-129.100111.9A102 A108 K109 N110 F489 T491 I504A102-M106 WeakPolarHBondContact O-CB 3.36Å; A102-M106 PolarHBondContact O-N 3.21Å; M106-A108 VanDerWaalsContact C-N 3.3Å; M106-A108 PolarHBondContact O-N 3Å; M106-K109 HydrophobicContact CE-CB 4.42Å; M106-K109 HydrophobicContact CE-CD 4.12Å; M106-K109 HydrophobicContact CE-CG 4.45Å; M106-K109 PolarHBondContact O-N 3.32Å; M106-N110 WeakPolarHBondContact CE-OD1 3.22Å; M106-N110 WeakPolarHBondContact O-CB 3.43Å; M106-N110 VanDerWaalsContact O-CG 3.23Å; M106-N110 PolarHBondContact O-N 2.9Å; M106-N110 PolarHBondContact O-ND2 3.2Å; M106-F489 HydrophobicContact SD-CE2 4.06Å; M106-F489 HydrophobicContact SD-CZ 4.25Å; M106-T491 HydrophobicContact SD-CG2 4.39Å; M106-I504 HydrophobicContact CB-CD1 3.69Å; M106-I504 HydrophobicContact CG-CD1 4.06Å; M106-I504 HydrophobicContact SD-CD1 4.13Å; M106-I504 HydrophobicContact SD-CG1 4.38Å
107S77.6Confident75.8Confident71 Ų7164.3 Ų64.350%0.49733%0.334SS..Hα-helixtrans-60.7-39.7174-177.10000111.9R103 R104 A111R103-S107 WeakPolarHBondContact O-CB 3.23Å; R103-S107 PolarHBondContact O-N 3.05Å; R104-S107 PolarHBondContact O-N 3.18Å; S107-A111 WeakPolarHBondContact O-CB 3.29Å; S107-A111 PolarHBondContact O-N 3.04Å
108A75.6Confident73.4Confident8 Ų869.9 Ų69.97%0.06636%0.363CS..Hα-helixtrans-69.6-42.6177.300000112R104 F105 M106 A111 E112 P466R104-A108 WeakPolarHBondContact O-CB 3.38Å; R104-A108 PolarHBondContact O-N 3.48Å; F105-A108 PolarHBondContact O-N 2.97Å; M106-A108 VanDerWaalsContact C-N 3.3Å; M106-A108 PolarHBondContact O-N 3Å; A108-A111 CarbonylContact O-C 3.58Å; A108-A111 PolarHBondContact O-N 3.36Å; A108-E112 WeakPolarHBondContact O-CG 3.41Å; A108-E112 PolarHBondContact O-N 3.49Å; A108-P466 HydrophobicContact CB-CB 4.27Å; A108-P466 HydrophobicContact CB-CG 3.41Å; A108-P466 VanDerWaalsContact CB-CG 3.41Å
109K77.3Confident71.2Confident67 Ų6775.9 Ų75.929%0.29140%0.395SS..Hα-helixtrans-60.8-46.3174.6-174.1175.2-179.4178.40111.3F105 M106 A111 E112 M113 F489F105-K109 WeakPolarHBondContact O-CB 3.37Å; F105-K109 PolarHBondContact O-N 3.22Å; M106-K109 HydrophobicContact CE-CB 4.42Å; M106-K109 HydrophobicContact CE-CD 4.12Å; M106-K109 HydrophobicContact CE-CG 4.45Å; M106-K109 PolarHBondContact O-N 3.32Å; K109-A111 VanDerWaalsContact C-N 3.34Å; K109-A111 PolarHBondContact O-N 3.19Å; K109-E112 PolarHBondContact O-N 3.1Å; K109-M113 HydrophobicContact CG-CE 4.26Å; K109-M113 WeakPolarHBondContact O-CG 3.29Å; K109-M113 PolarHBondContact O-N 2.9Å; K109-F489 HydrophobicContact CB-CE1 4.28Å; K109-F489 HydrophobicContact CB-CZ 3.94Å; K109-F489 HydrophobicContact CD-CE1 4.04Å; K109-F489 HydrophobicContact CD-CE2 3.96Å; K109-F489 HydrophobicContact CD-CZ 3.5Å; K109-F489 HydrophobicContact CG-CZ 4.35Å
110N76Confident69.2Low77 Ų7778.1 Ų78.141%0.41241%0.405SS..Hα-helixtrans-63.2-40.6174.8-71.1-12.5000111.9M106 M113 A114M106-N110 WeakPolarHBondContact CE-OD1 3.22Å; M106-N110 WeakPolarHBondContact O-CB 3.43Å; M106-N110 VanDerWaalsContact O-CG 3.23Å; M106-N110 PolarHBondContact O-N 2.9Å; M106-N110 PolarHBondContact O-ND2 3.2Å; N110-M113 HydrophobicContact CB-CE 4.45Å; N110-M113 PolarHBondContact O-N 3.18Å; N110-M113 WeakPolarHBondContact OD1-CE 3.28Å; N110-A114 WeakPolarHBondContact O-CB 3.45Å; N110-A114 PolarHBondContact O-N 2.71Å
111A70.7Confident66.9Low37 Ų3786.4 Ų86.431%0.30644%0.436SS..Hα-helixtrans-67.2-40.9175.600000111.7S107 A108 K109 M113 A114 L115S107-A111 WeakPolarHBondContact O-CB 3.29Å; S107-A111 PolarHBondContact O-N 3.04Å; A108-A111 CarbonylContact O-C 3.58Å; A108-A111 PolarHBondContact O-N 3.36Å; K109-A111 VanDerWaalsContact C-N 3.34Å; K109-A111 PolarHBondContact O-N 3.19Å; A111-M113 VanDerWaalsContact C-N 3.34Å; A111-A114 CarbonylContact O-C 3.56Å; A111-A114 PolarHBondContact O-N 3.44Å; A111-A114 VanDerWaalsContact O-N 3.14Å; A111-L115 HydrophobicContact CB-CD1 4.26Å; A111-L115 WeakPolarHBondContact O-CA 3.35Å; A111-L115 WeakPolarHBondContact O-CB 3.17Å; A111-L115 WeakPolarHBondContact O-CD1 2.92Å; A111-L115 WeakPolarHBondContact O-CG 3.5Å; A111-L115 PolarHBondContact O-N 3.42Å
112E69.3Low64.7Low107 Ų10787.8 Ų87.850%0.545%0.454SS..Hα-helixtrans-61.6-43.2173.7-78.3-178.2164.500111.3A108 K109 A114 L115 A116 A468A108-E112 WeakPolarHBondContact O-CG 3.41Å; A108-E112 PolarHBondContact O-N 3.49Å; K109-E112 PolarHBondContact O-N 3.1Å; E112-A114 VanDerWaalsContact C-N 3.27Å; E112-A114 PolarHBondContact O-N 3.22Å; E112-L115 PolarHBondContact O-N 2.82Å; E112-A116 PolarHBondContact O-N 3.28Å; E112-A468 WeakPolarHBondContact OE1-CB 3.42Å
113M66.4Low62.6Low114 Ų11489.1 Ų89.156%0.56246%0.46SS*.Hα-helixtrans-60.3-36.1172.7-70.7-171.9-66.600112.3K109 N110 A111K109-M113 HydrophobicContact CG-CE 4.26Å; K109-M113 WeakPolarHBondContact O-CG 3.29Å; K109-M113 PolarHBondContact O-N 2.9Å; N110-M113 HydrophobicContact CB-CE 4.45Å; N110-M113 PolarHBondContact O-N 3.18Å; N110-M113 WeakPolarHBondContact OD1-CE 3.28Å; A111-M113 VanDerWaalsContact C-N 3.34Å
114A60.9Low60.7Low53 Ų5384.4 Ų84.444%0.43845%0.45SS..Hα-helixtrans-80.8-36.3176.400000113.6N110 A111 E112 A116 K117N110-A114 WeakPolarHBondContact O-CB 3.45Å; N110-A114 PolarHBondContact O-N 2.71Å; A111-A114 CarbonylContact O-C 3.56Å; A111-A114 PolarHBondContact O-N 3.44Å; A111-A114 VanDerWaalsContact O-N 3.14Å; E112-A114 VanDerWaalsContact C-N 3.27Å; E112-A114 PolarHBondContact O-N 3.22Å; A114-A116 VanDerWaalsContact C-N 3.3Å; A114-A116 PolarHBondContact O-N 3.32Å; A114-K117 WeakPolarHBondContact O-CA 3.47Å; A114-K117 VanDerWaalsContact O-CB 3.31Å; A114-K117 WeakPolarHBondContact O-CB 3.2Å; A114-K117 PolarHBondContact O-N 2.93Å
115L59.9Low59Low73 Ų7382.9 Ų82.938%0.38245%0.451SS..Hα-helixtrans-71.1-25.9179.5-78.8164.8000111.2A111 E112 K117 L118 Q120A111-L115 HydrophobicContact CB-CD1 4.26Å; A111-L115 WeakPolarHBondContact O-CA 3.35Å; A111-L115 WeakPolarHBondContact O-CB 3.17Å; A111-L115 WeakPolarHBondContact O-CD1 2.92Å; A111-L115 WeakPolarHBondContact O-CG 3.5Å; A111-L115 PolarHBondContact O-N 3.42Å; E112-L115 PolarHBondContact O-N 2.82Å; L115-K117 PolarHBondContact O-N 3.33Å; L115-L118 WeakPolarHBondContact CA-O 3.46Å; L115-L118 WeakPolarHBondContact CD2-O 3.47Å; L115-L118 PolarHBondContact O-N 2.82Å; L115-L118 VanDerWaalsContact O-N 3.07Å; L115-Q120 HydrophobicContact CD2-CB 3.63Å
116A56.1Low57.4Low89 Ų8983.6 Ų83.674%0.73646%0.456SS*.THydrogen-bonded Turntrans-53.7-15.4162.700000112.5E112 A114E112-A116 PolarHBondContact O-N 3.28Å; A114-A116 VanDerWaalsContact C-N 3.3Å; A114-A116 PolarHBondContact O-N 3.32Å
117K49.3Very low56.1Low183 Ų18384 Ų8480%0.79646%0.463SS*.THydrogen-bonded Turntrans-109.8-11.2173.7-64.5-179.4177.5174.40115.7A114 L115A114-K117 WeakPolarHBondContact O-CA 3.47Å; A114-K117 VanDerWaalsContact O-CB 3.31Å; A114-K117 WeakPolarHBondContact O-CB 3.2Å; A114-K117 PolarHBondContact O-N 2.93Å; L115-K117 PolarHBondContact O-N 3.33Å
118L39.1Very low54.9Low120 Ų12083.2 Ų83.263%0.62845%0.449SS*.SBendtrans-167.2149.8175.9-137.293.3000113.6L115L115-L118 WeakPolarHBondContact CA-O 3.46Å; L115-L118 WeakPolarHBondContact CD2-O 3.47Å; L115-L118 PolarHBondContact O-N 2.82Å; L115-L118 VanDerWaalsContact O-N 3.07Å
119N40Very low54Low152 Ų15284.7 Ų84.781%0.81346%0.455SS*.  trans-72.1136.6176.8-68.5-34.1000112.4
120Q43.7Very low53.7Low85 Ų8581.8 Ų81.840%0.39744%0.444SS..  trans-144.9159.3174.6-113.6-163.9-8.200115.4V54 S55 L115V54-Q120 HydrophobicContact CG1-CG 4.1Å; S55-Q120 PolarHBondContact O-NE2 2.8Å; L115-Q120 HydrophobicContact CD2-CB 3.63Å
121Y38.4Very low53.8Low206 Ų20678.7 Ų78.781%0.80843%0.427SS*.  trans-130.5155.5-177-70.9-86.6000111
122G41.4Very low54Low40 Ų4077.7 Ų77.741%0.41242%0.416SS..  trans-81.5169.7-171.200000116.8
123T42.5Very low54.5Low48 Ų4873.1 Ų73.129%0.29439%0.394SS..  trans-106.2143176.4-55.50000110.6T47T47-T123 HydrophobicContact CG2-CG2 4.23Å
124V42.1Very low55.3Low64 Ų6467.9 Ų67.939%0.38837%0.369SS..PPolyproline II helixtrans-99.3133.8174.2-1730000109
125L48.5Very low56.6Low109 Ų10965.4 Ų65.457%0.57135%0.348SS*.PPolyproline II helixtrans-80.4144.8172-72.9170000110.7I43I43-L125 HydrophobicContact CG2-CD2 3.78Å
126P49.8Very low57.7Low20 Ų2062 Ų6213%0.1333%0.33CS..PPolyproline II helixtrans-53140.6175.1-26.734000113.4V64 I67V64-P126 HydrophobicContact CG2-CB 3.68Å; V64-P126 HydrophobicContact CG2-CG 3.6Å; I67-P126 HydrophobicContact CD1-CG 3.94Å
127S53.2Low59.1Low42 Ų4260.4 Ų60.429%0.29431%0.308SS..PPolyproline II helixtrans-62.6145.6166.8103.60000111.1I129 G130S127-I129 PolarHBondContact O-N 3.02Å; S127-I129 WeakPolarHBondContact OG-CB 3.33Å; S127-I129 PolarHBondContact OG-N 3.47Å; S127-G130 PolarHBondContact O-N 3.44Å
128W53.5Low61Low54 Ų5452.8 Ų52.821%0.20528%0.275CS..Hα-helixtrans-53.8-24.2174.962.2-77.2000113.7G130 Y131 M132 R531 M592W128-G130 PolarHBondContact O-N 3.4Å; W128-Y131 PolarHBondContact O-N 2.92Å; W128-M132 HydrophobicContact CE3-CG 4.47Å; W128-M132 HydrophobicContact CE3-SD 3.58Å; W128-M132 VanDerWaalsContact CE3-SD 3.58Å; W128-M132 HydrophobicContact CZ3-SD 3.46Å; W128-M132 WeakPolarHBondContact CZ3-SD 3.31Å; W128-M132 PolarHBondContact O-N 3.24Å; W128-R531 VanDerWaalsContact CE2-NH1 3.27Å; W128-R531 VanDerWaalsContact CZ2-NH1 3.31Å; W128-M592 HydrophobicContact CH2-CE 3.63Å; W128-M592 HydrophobicContact CZ3-CE 3.54Å
129I55.4Low63.3Low38 Ų3847.1 Ų47.120%0.19525%0.245CC..Hα-helixtrans-63.3-29.9177.9-58.2172.4000110.2S127 Y133S127-I129 PolarHBondContact O-N 3.02Å; S127-I129 WeakPolarHBondContact OG-CB 3.33Å; S127-I129 PolarHBondContact OG-N 3.47Å; I129-Y133 VanDerWaalsContact O-CB 3.22Å; I129-Y133 WeakPolarHBondContact O-CB 3.32Å; I129-Y133 PolarHBondContact O-N 3.12Å
130G72.4Confident65.4Low6 Ų641.2 Ų41.26%0.06221%0.214CC..Hα-helixtrans-63.8-45.6176.800000113.5F68 S127 W128 Y133 F134F68-G130 WeakPolarHBondContact CZ-O 3.42Å; S127-G130 PolarHBondContact O-N 3.44Å; W128-G130 PolarHBondContact O-N 3.4Å; G130-Y133 PolarHBondContact O-N 3.42Å; G130-F134 WeakPolarHBondContact O-CB 3.45Å; G130-F134 PolarHBondContact O-N 2.97Å
131Y78.1Confident67.5Low12 Ų1241.5 Ų41.55%0.04722%0.222CC..Hα-helixtrans-68.1-42.7-178.8-69.3-71.1000112.3M39 I67 F68 I71 W128 F134 V135 Y152M39-Y131 HydrophobicContact CE-CD1 4.47Å; M39-Y131 HydrophobicContact CE-CE1 3.68Å; I67-Y131 HydrophobicContact CG2-CE1 3.87Å; F68-Y131 HydrophobicContact CE1-CD1 4.19Å; F68-Y131 HydrophobicContact CE1-CE1 4.45Å; I71-Y131 HydrophobicContact CD1-CE1 4.45Å; W128-Y131 PolarHBondContact O-N 2.92Å; Y131-F134 PolarHBondContact O-N 2.92Å; Y131-V135 WeakPolarHBondContact O-CG2 3.25Å; Y131-V135 PolarHBondContact O-N 3.2Å; Y131-V135 VanDerWaalsContact O-N 3.1Å; Y131-Y152 HydrophobicContact CD1-CE2 4.4Å; Y131-Y152 HydrophobicContact CD2-CE2 4.16Å; Y131-Y152 WeakPolarHBondContact CD2-OH 3.46Å; Y131-Y152 AromaticContact CG-CE2 3.83Å; Y131-Y152 HydrophobicContact CG-CE2 3.83Å
132M73.9Confident70Confident17 Ų1732.4 Ų32.48%0.08419%0.187CC..Hα-helixtrans-58.9-53.8174.8-66.9-172.669.600109.5W128 F134 V135 C136 F539 Y541 I570 M592W128-M132 HydrophobicContact CE3-CG 4.47Å; W128-M132 HydrophobicContact CE3-SD 3.58Å; W128-M132 VanDerWaalsContact CE3-SD 3.58Å; W128-M132 HydrophobicContact CZ3-SD 3.46Å; W128-M132 WeakPolarHBondContact CZ3-SD 3.31Å; W128-M132 PolarHBondContact O-N 3.24Å; M132-F134 VanDerWaalsContact C-N 3.26Å; M132-F134 PolarHBondContact O-N 3.31Å; M132-V135 PolarHBondContact O-N 2.83Å; M132-V135 VanDerWaalsContact O-N 3.1Å; M132-C136 PolarHBondContact O-N 3.29Å; M132-C136 PolarHBondContact O-SG 3.33Å; M132-F539 HydrophobicContact CE-CD1 4.39Å; M132-F539 HydrophobicContact CE-CE1 4.32Å; M132-Y541 VanDerWaalsContact CE-OH 3.32Å; M132-Y541 WeakPolarHBondContact CE-OH 3.32Å; M132-Y541 WeakPolarHBondContact CG-OH 3.36Å; M132-I570 HydrophobicContact CE-CD1 4.22Å; M132-M592 HydrophobicContact CE-CE 4.12Å; M132-M592 HydrophobicContact SD-CE 4.07Å
133Y79.1Confident72.4Confident10 Ų1035 Ų354%0.03920%0.197CC..Hα-helixtrans-49.2-46.4175.8173.9-85.6000112.9I129 G130 C136 M137 L560 P561 V563I129-Y133 VanDerWaalsContact O-CB 3.22Å; I129-Y133 WeakPolarHBondContact O-CB 3.32Å; I129-Y133 PolarHBondContact O-N 3.12Å; G130-Y133 PolarHBondContact O-N 3.42Å; Y133-C136 WeakPolarHBondContact O-CB 3.27Å; Y133-C136 PolarHBondContact O-N 3.43Å; Y133-M137 HydrophobicContact CE1-CB 4.27Å; Y133-M137 HydrophobicContact CE1-SD 4.19Å; Y133-M137 WeakPolarHBondContact O-CB 3.39Å; Y133-M137 PolarHBondContact O-N 3.38Å; Y133-L560 HydrophobicContact CD1-CB 4.12Å; Y133-L560 HydrophobicContact CD1-CD1 3.88Å; Y133-L560 HydrophobicContact CD1-CD2 4.04Å; Y133-L560 HydrophobicContact CD1-CG 4.24Å; Y133-L560 HydrophobicContact CD2-CB 4.39Å; Y133-L560 HydrophobicContact CE1-CB 3.75Å; Y133-L560 HydrophobicContact CE1-CD1 4.26Å; Y133-L560 HydrophobicContact CE1-CD2 3.68Å; Y133-L560 HydrophobicContact CE1-CG 4.09Å; Y133-L560 HydrophobicContact CE2-CB 3.99Å; Y133-L560 HydrophobicContact CG-CB 4.44Å; Y133-L560 HydrophobicContact CG-CD1 4.26Å; Y133-P561 WeakPolarHBondContact CE2-O 3.41Å; Y133-P561 VanDerWaalsContact CZ-O 3.29Å; Y133-P561 WeakPolarHBondContact OH-CD 3.01Å; Y133-P561 PolarHBondContact OH-O 3.03Å; Y133-V563 HydrophobicContact CD2-CG2 4.1Å; Y133-V563 HydrophobicContact CE2-CG2 3.57Å
134F84.6Confident74.8Confident5 Ų536.3 Ų36.32%0.02220%0.201CC..Hα-helixtrans-62.1-45.3-179.1178.9-111.8000112.4F68 I71 G130 Y131 M132 M137 K138 W145F68-F134 HydrophobicContact CB-CD2 3.76Å; F68-F134 HydrophobicContact CB-CE2 3.54Å; F68-F134 HydrophobicContact CB-CG 4.41Å; F68-F134 HydrophobicContact CB-CZ 4.02Å; F68-F134 HydrophobicContact CD1-CB 3.94Å; F68-F134 AromaticContact CD1-CD1 3.96Å; F68-F134 HydrophobicContact CD1-CD1 3.96Å; F68-F134 AromaticContact CD1-CD2 3.82Å; F68-F134 HydrophobicContact CD1-CD2 3.82Å; F68-F134 HydrophobicContact CD1-CE1 4.42Å; F68-F134 HydrophobicContact CD1-CE2 4.31Å; F68-F134 AromaticContact CD1-CG 3.63Å; F68-F134 HydrophobicContact CD1-CG 3.63Å; F68-F134 HydrophobicContact CD2-CB 4.19Å; F68-F134 AromaticContact CD2-CD2 3.58Å; F68-F134 HydrophobicContact CD2-CD2 3.58Å; F68-F134 HydrophobicContact CD2-CE2 4.23Å; F68-F134 HydrophobicContact CD2-CG 4.06Å; F68-F134 HydrophobicContact CE1-CB 3.61Å; F68-F134 HydrophobicContact CE1-CD1 4.33Å; F68-F134 HydrophobicContact CE1-CD2 4.35Å; F68-F134 AromaticContact CE1-CG 3.86Å; F68-F134 HydrophobicContact CE1-CG 3.86Å; F68-F134 HydrophobicContact CE2-CB 3.87Å; F68-F134 HydrophobicContact CE2-CD2 4.12Å; F68-F134 HydrophobicContact CE2-CG 4.25Å; F68-F134 HydrophobicContact CG-CB 4.24Å; F68-F134 HydrophobicContact CG-CD1 4.38Å; F68-F134 AromaticContact CG-CD2 3.43Å; F68-F134 HydrophobicContact CG-CD2 3.43Å; F68-F134 VanDerWaalsContact CG-CD2 3.43Å; F68-F134 AromaticContact CG-CE2 3.78Å; F68-F134 HydrophobicContact CG-CE2 3.78Å; F68-F134 AromaticContact CG-CG 3.76Å; F68-F134 HydrophobicContact CG-CG 3.76Å; F68-F134 HydrophobicContact CG-CZ 4.38Å; F68-F134 HydrophobicContact CZ-CB 3.6Å; F68-F134 HydrophobicContact CZ-CD2 4.49Å; F68-F134 HydrophobicContact CZ-CG 4.18Å; I71-F134 HydrophobicContact CB-CE1 4.15Å; I71-F134 HydrophobicContact CD1-CE1 4.22Å; I71-F134 HydrophobicContact CG2-CE1 3.81Å; I71-F134 HydrophobicContact CG2-CZ 4.45Å; G130-F134 WeakPolarHBondContact O-CB 3.45Å; G130-F134 PolarHBondContact O-N 2.97Å; Y131-F134 PolarHBondContact O-N 2.92Å; M132-F134 VanDerWaalsContact C-N 3.26Å; M132-F134 PolarHBondContact O-N 3.31Å; F134-M137 HydrophobicContact CD2-CE 3.71Å; F134-M137 HydrophobicContact CE2-CE 3.89Å; F134-M137 PolarHBondContact O-N 3.49Å; F134-K138 HydrophobicContact CD2-CG 4.26Å; F134-K138 HydrophobicContact CE1-CG 4.26Å; F134-K138 HydrophobicContact CE2-CD 4.35Å; F134-K138 HydrophobicContact CE2-CG 3.9Å; F134-K138 HydrophobicContact CZ-CD 4.41Å; F134-K138 HydrophobicContact CZ-CG 3.92Å; F134-K138 WeakPolarHBondContact O-CB 3.4Å; F134-K138 VanDerWaalsContact O-CG 3.29Å; F134-K138 WeakPolarHBondContact O-CG 3.02Å; F134-K138 PolarHBondContact O-N 3.15Å; F134-W145 HydrophobicContact CD1-CH2 4.37Å; F134-W145 AromaticContact CE1-CH2 3.87Å; F134-W145 HydrophobicContact CE1-CH2 3.87Å; F134-W145 HydrophobicContact CE1-CZ2 4.14Å
135V86.6Confident77.2Confident0 Ų033.2 Ų33.20%018%0.183CC..Hα-helixtrans-60.5-47.3174.6177.20000110.2M86 Y131 M132 M137 K138 M139 W145 V150 Y541M86-V135 HydrophobicContact CE-CG2 3.33Å; Y131-V135 WeakPolarHBondContact O-CG2 3.25Å; Y131-V135 PolarHBondContact O-N 3.2Å; Y131-V135 VanDerWaalsContact O-N 3.1Å; M132-V135 PolarHBondContact O-N 2.83Å; M132-V135 VanDerWaalsContact O-N 3.1Å; V135-M137 PolarHBondContact O-N 3.05Å; V135-K138 PolarHBondContact O-N 3.07Å; V135-M139 HydrophobicContact CG1-CG 3.96Å; V135-M139 WeakPolarHBondContact O-CB 3.21Å; V135-M139 WeakPolarHBondContact O-CG 3.46Å; V135-M139 PolarHBondContact O-N 3.05Å; V135-W145 HydrophobicContact CG1-CZ3 4.39Å; V135-W145 HydrophobicContact CG2-CZ3 4.26Å; V135-V150 HydrophobicContact CG1-CB 4.22Å; V135-V150 HydrophobicContact CG1-CG1 3.94Å; V135-V150 HydrophobicContact CG2-CG1 4.21Å; V135-Y541 HydrophobicContact CG1-CD1 4.05Å; V135-Y541 HydrophobicContact CG1-CD2 3.88Å; V135-Y541 HydrophobicContact CG1-CE1 4.45Å; V135-Y541 HydrophobicContact CG1-CE2 4.28Å; V135-Y541 HydrophobicContact CG1-CG 3.76Å
136C83.9Confident79.2Confident3 Ų331.1 Ų31.12%0.0217%0.169CC..Hα-helixtrans-57.7-49.3179-51.60000111.8M132 Y133 K138 M139 N140 V552 E568M132-C136 PolarHBondContact O-N 3.29Å; M132-C136 PolarHBondContact O-SG 3.33Å; Y133-C136 WeakPolarHBondContact O-CB 3.27Å; Y133-C136 PolarHBondContact O-N 3.43Å; C136-K138 VanDerWaalsContact C-N 3.34Å; C136-K138 PolarHBondContact O-N 3.32Å; C136-M139 PolarHBondContact O-N 3.39Å; C136-N140 PolarHBondContact O-N 3.39Å; C136-N140 VanDerWaalsContact O-N 3.15Å; C136-N140 PolarHBondContact O-ND2 3.26Å; C136-V552 HydrophobicContact CB-CG1 4.41Å; C136-V552 HydrophobicContact CB-CG2 4.17Å; C136-E568 WeakPolarHBondContact CA-OE2 3.28Å; C136-E568 WeakPolarHBondContact CB-OE1 3.5Å; C136-E568 WeakPolarHBondContact CB-OE2 3.32Å; C136-E568 PolarHBondContact SG-OE1 3.11Å; C136-E568 PolarHBondContact SG-OE2 2.92Å
137M85.5Confident81.2Confident54 Ų5434 Ų3427%0.26620%0.195SC..Hα-helixtrans-58-47.8178-178.8-160.868.600110.5Y133 F134 V135 N140 T141 V563Y133-M137 HydrophobicContact CE1-CB 4.27Å; Y133-M137 HydrophobicContact CE1-SD 4.19Å; Y133-M137 WeakPolarHBondContact O-CB 3.39Å; Y133-M137 PolarHBondContact O-N 3.38Å; F134-M137 HydrophobicContact CD2-CE 3.71Å; F134-M137 HydrophobicContact CE2-CE 3.89Å; F134-M137 PolarHBondContact O-N 3.49Å; V135-M137 PolarHBondContact O-N 3.05Å; M137-N140 PolarHBondContact O-N 2.94Å; M137-T141 WeakPolarHBondContact O-CB 3.3Å; M137-T141 WeakPolarHBondContact O-CG2 3.42Å; M137-T141 PolarHBondContact O-N 3.34Å; M137-T141 PolarHBondContact O-OG1 3.25Å; M137-V563 HydrophobicContact CB-CG2 3.94Å
138K90Very high83.2Confident24 Ų2432.5 Ų32.510%0.10418%0.183CC..Hα-helixtrans-66.4-45.2-179.2-74.2-65.6-170.1177.60113.1E72 F134 V135 C136 N140 T141 D142 W145E72-K138 IonicContact OE1-NZ 2.84Å; E72-K138 PolarHBondContact OE1-NZ 3.09Å; E72-K138 WeakPolarHBondContact OE2-CE 3.36Å; E72-K138 IonicContact OE2-NZ 2.8Å; E72-K138 PolarHBondContact OE2-NZ 2.95Å; F134-K138 HydrophobicContact CD2-CG 4.26Å; F134-K138 HydrophobicContact CE1-CG 4.26Å; F134-K138 HydrophobicContact CE2-CD 4.35Å; F134-K138 HydrophobicContact CE2-CG 3.9Å; F134-K138 HydrophobicContact CZ-CD 4.41Å; F134-K138 HydrophobicContact CZ-CG 3.92Å; F134-K138 WeakPolarHBondContact O-CB 3.4Å; F134-K138 VanDerWaalsContact O-CG 3.29Å; F134-K138 WeakPolarHBondContact O-CG 3.02Å; F134-K138 PolarHBondContact O-N 3.15Å; V135-K138 PolarHBondContact O-N 3.07Å; C136-K138 VanDerWaalsContact C-N 3.34Å; C136-K138 PolarHBondContact O-N 3.32Å; K138-N140 PolarHBondContact O-N 2.89Å; K138-T141 PolarHBondContact O-N 3.13Å; K138-D142 PolarHBondContact O-N 3.31Å; K138-W145 HydrophobicContact CB-CB 4.42Å; K138-W145 HydrophobicContact CB-CD2 3.48Å; K138-W145 VanDerWaalsContact CB-CD2 3.48Å; K138-W145 HydrophobicContact CB-CE3 3.6Å; K138-W145 HydrophobicContact CB-CG 3.86Å; K138-W145 HydrophobicContact CB-CH2 4.21Å; K138-W145 HydrophobicContact CB-CZ2 4.15Å; K138-W145 HydrophobicContact CB-CZ3 3.97Å; K138-W145 HydrophobicContact CD-CZ2 4.48Å; K138-W145 HydrophobicContact CG-CD2 4.17Å; K138-W145 HydrophobicContact CG-CE3 4.43Å; K138-W145 HydrophobicContact CG-CH2 4.19Å; K138-W145 HydrophobicContact CG-CZ2 3.95Å; K138-W145 HydrophobicContact CG-CZ3 4.45Å
139M86.1Confident85.1Confident0 Ų035.2 Ų35.20%020%0.196CC..Hα-helixtrans-60.8-26.4176.4-69.6-66.3-7900112.7V135 C136 W145 K146 V150 Y543V135-M139 HydrophobicContact CG1-CG 3.96Å; V135-M139 WeakPolarHBondContact O-CB 3.21Å; V135-M139 WeakPolarHBondContact O-CG 3.46Å; V135-M139 PolarHBondContact O-N 3.05Å; C136-M139 PolarHBondContact O-N 3.39Å; M139-W145 HydrophobicContact CG-CE3 4.44Å; M139-W145 VanDerWaalsContact SD-C 3.56Å; M139-W145 HydrophobicContact SD-CB 3.9Å; M139-W145 HydrophobicContact SD-CE3 4.3Å; M139-K146 WeakPolarHBondContact O-CE 3.32Å; M139-K146 WeakPolarHBondContact O-CG 3.42Å; M139-V150 HydrophobicContact SD-CG2 3.78Å; M139-Y543 VanDerWaalsContact CE-N 3.31Å; M139-Y543 WeakPolarHBondContact O-CD2 3.03Å
140N85.2Confident86.9Confident29 Ų2933.4 Ų33.416%0.15519%0.187CC..Hα-helixtrans-89.9-26175.7-74.4-73.5000114.4C136 M137 K138 K146 V563 C566 K567C136-N140 PolarHBondContact O-N 3.39Å; C136-N140 VanDerWaalsContact O-N 3.15Å; C136-N140 PolarHBondContact O-ND2 3.26Å; M137-N140 PolarHBondContact O-N 2.94Å; K138-N140 PolarHBondContact O-N 2.89Å; N140-K146 VanDerWaalsContact C-CE 3.41Å; N140-K146 WeakPolarHBondContact O-CE 3.43Å; N140-K146 PolarHBondContact O-NZ 2.65Å; N140-V563 HydrophobicContact CB-CG1 4.41Å; N140-C566 WeakPolarHBondContact ND2-CA 3.26Å; N140-C566 PolarHBondContact ND2-SG 3.44Å; N140-C566 WeakPolarHBondContact OD1-CA 3.13Å; N140-K567 PolarHBondContact OD1-N 3.27Å
141T87.7Confident87.8Confident91 Ų9133.2 Ų33.256%0.55818%0.184SC*.Hα-helixtrans-103.6-39.1-171.8550000113.2M137 K138M137-T141 WeakPolarHBondContact O-CB 3.3Å; M137-T141 WeakPolarHBondContact O-CG2 3.42Å; M137-T141 PolarHBondContact O-N 3.34Å; M137-T141 PolarHBondContact O-OG1 3.25Å; K138-T141 PolarHBondContact O-N 3.13Å
142D91.2Very high88.4Confident14 Ų1432.9 Ų32.98%0.07518%0.183CC..  trans-98120.6-172.7-164-44.8000111.9R76 K138 L144 W145 K146R76-D142 IonicContact CZ-OD2 3.26Å; R76-D142 IonicContact NH2-OD2 2.68Å; R76-D142 PolarHBondContact NH2-OD2 3.31Å; K138-D142 PolarHBondContact O-N 3.31Å; D142-L144 VanDerWaalsContact C-N 3.26Å; D142-L144 PolarHBondContact O-N 2.95Å; D142-L144 WeakPolarHBondContact OD1-CB 3.46Å; D142-L144 PolarHBondContact OD1-N 3.11Å; D142-W145 HydrophobicContact CB-CB 4.27Å; D142-W145 HydrophobicContact CB-CG 4.25Å; D142-W145 PolarHBondContact O-N 3.17Å; D142-K146 WeakPolarHBondContact O-CG 3.36Å; D142-K146 PolarHBondContact O-N 2.78Å
143P91.7Very high89.1Confident96 Ų9632 Ų3262%0.62318%0.179SC*.Hα-helixtrans-57.9-31176.1-24.734.9000115.1A147P143-A147 PolarHBondContact O-N 3.3Å
144L92.5Very high89.4Confident74 Ų7431.6 Ų31.639%0.38718%0.177SC..Hα-helixtrans-70.2-41.2-179.7-64.9176.1000111.3F75 D142 A147F75-L144 HydrophobicContact CE1-CB 3.77Å; F75-L144 HydrophobicContact CE1-CD1 4.43Å; F75-L144 HydrophobicContact CZ-CB 4.33Å; D142-L144 VanDerWaalsContact C-N 3.26Å; D142-L144 PolarHBondContact O-N 2.95Å; D142-L144 WeakPolarHBondContact OD1-CB 3.46Å; D142-L144 PolarHBondContact OD1-N 3.11Å; L144-A147 PolarHBondContact O-N 3.46Å
145W92.7Very high89.3Confident0 Ų034.3 Ų34.30%019%0.19CC..Hα-helixtrans-65.9-40.3176.4-7670.5000111.4F75 F84 F134 V135 K138 M139 D142 A147 I148 V150F75-W145 AromaticContact CD1-CD1 3.82Å; F75-W145 AromaticContact CD1-NE1 3.29Å; F75-W145 VanDerWaalsContact CD1-NE1 3.29Å; F75-W145 HydrophobicContact CD2-CZ2 4.16Å; F75-W145 AromaticContact CE1-CD1 3.34Å; F75-W145 HydrophobicContact CE1-CG 4.15Å; F75-W145 AromaticContact CE1-NE1 3.32Å; F75-W145 VanDerWaalsContact CE1-NE1 3.32Å; F75-W145 HydrophobicContact CE2-CD2 4.36Å; F75-W145 HydrophobicContact CG-CZ2 4.21Å; F75-W145 AromaticContact CG-NE1 3.68Å; F75-W145 AromaticContact CZ-CD1 3.65Å; F75-W145 HydrophobicContact CZ-CD2 4.28Å; F75-W145 HydrophobicContact CZ-CG 4.01Å; F75-W145 AromaticContact CZ-NE1 3.73Å; F84-W145 HydrophobicContact CD1-CE3 4.47Å; F84-W145 AromaticContact CD1-CH2 3.77Å; F84-W145 HydrophobicContact CD1-CH2 3.77Å; F84-W145 HydrophobicContact CD1-CZ2 4.21Å; F84-W145 AromaticContact CD1-CZ3 3.89Å; F84-W145 HydrophobicContact CD1-CZ3 3.89Å; F84-W145 AromaticContact CE1-CH2 3.37Å; F84-W145 HydrophobicContact CE1-CH2 3.37Å; F84-W145 AromaticContact CE1-CZ2 3.8Å; F84-W145 HydrophobicContact CE1-CZ2 3.8Å; F84-W145 AromaticContact CE1-CZ3 3.94Å; F84-W145 HydrophobicContact CE1-CZ3 3.94Å; F134-W145 HydrophobicContact CD1-CH2 4.37Å; F134-W145 AromaticContact CE1-CH2 3.87Å; F134-W145 HydrophobicContact CE1-CH2 3.87Å; F134-W145 HydrophobicContact CE1-CZ2 4.14Å; V135-W145 HydrophobicContact CG1-CZ3 4.39Å; V135-W145 HydrophobicContact CG2-CZ3 4.26Å; K138-W145 HydrophobicContact CB-CB 4.42Å; K138-W145 HydrophobicContact CB-CD2 3.48Å; K138-W145 VanDerWaalsContact CB-CD2 3.48Å; K138-W145 HydrophobicContact CB-CE3 3.6Å; K138-W145 HydrophobicContact CB-CG 3.86Å; K138-W145 HydrophobicContact CB-CH2 4.21Å; K138-W145 HydrophobicContact CB-CZ2 4.15Å; K138-W145 HydrophobicContact CB-CZ3 3.97Å; K138-W145 HydrophobicContact CD-CZ2 4.48Å; K138-W145 HydrophobicContact CG-CD2 4.17Å; K138-W145 HydrophobicContact CG-CE3 4.43Å; K138-W145 HydrophobicContact CG-CH2 4.19Å; K138-W145 HydrophobicContact CG-CZ2 3.95Å; K138-W145 HydrophobicContact CG-CZ3 4.45Å; M139-W145 HydrophobicContact CG-CE3 4.44Å; M139-W145 VanDerWaalsContact SD-C 3.56Å; M139-W145 HydrophobicContact SD-CB 3.9Å; M139-W145 HydrophobicContact SD-CE3 4.3Å; D142-W145 HydrophobicContact CB-CB 4.27Å; D142-W145 HydrophobicContact CB-CG 4.25Å; D142-W145 PolarHBondContact O-N 3.17Å; W145-A147 PolarHBondContact O-N 3.01Å; W145-A147 VanDerWaalsContact O-N 3.12Å; W145-I148 WeakPolarHBondContact O-CG1 3.46Å; W145-I148 PolarHBondContact O-N 3.34Å; W145-V150 HydrophobicContact CE3-CG2 3.8Å; W145-V150 HydrophobicContact CZ3-CG1 4.18Å; W145-V150 HydrophobicContact CZ3-CG2 4.09Å
146K90.9Very high88.7Confident65 Ų6535.9 Ų35.928%0.28320%0.199SC..Hα-helixtrans-56.8-28.5176.4-72.8174-178.5168.70114.3M139 N140 D142 I148 Y543M139-K146 WeakPolarHBondContact O-CE 3.32Å; M139-K146 WeakPolarHBondContact O-CG 3.42Å; N140-K146 VanDerWaalsContact C-CE 3.41Å; N140-K146 WeakPolarHBondContact O-CE 3.43Å; N140-K146 PolarHBondContact O-NZ 2.65Å; D142-K146 WeakPolarHBondContact O-CG 3.36Å; D142-K146 PolarHBondContact O-N 2.78Å; K146-I148 VanDerWaalsContact C-N 3.33Å; K146-Y543 HydrophobicContact CB-CD1 4.06Å; K146-Y543 HydrophobicContact CB-CG 4.14Å; K146-Y543 HydrophobicContact CD-CD1 4.22Å; K146-Y543 HydrophobicContact CD-CD2 4.48Å; K146-Y543 HydrophobicContact CD-CE1 4.06Å; K146-Y543 HydrophobicContact CD-CE2 4.33Å; K146-Y543 HydrophobicContact CD-CG 4.43Å; K146-Y543 HydrophobicContact CG-CD1 3.92Å; K146-Y543 HydrophobicContact CG-CD2 4.01Å; K146-Y543 HydrophobicContact CG-CE1 4.27Å; K146-Y543 HydrophobicContact CG-CE2 4.34Å; K146-Y543 HydrophobicContact CG-CG 3.79Å
147A91.6Very high88.3Confident81 Ų8136 Ų3667%0.66920%0.199SC*.THydrogen-bonded Turntrans-83.2-8.2-174.100000113.7P143 L144 W145P143-A147 PolarHBondContact O-N 3.3Å; L144-A147 PolarHBondContact O-N 3.46Å; W145-A147 PolarHBondContact O-N 3.01Å; W145-A147 VanDerWaalsContact O-N 3.12Å
148I94Very high87.3Confident10 Ų1037.8 Ų37.85%0.05120%0.203CC..SBendtrans-128.3168-170.165.3167.5000112.8F75 P80 F84 W145 K146 V150F75-I148 HydrophobicContact CE2-CD1 3.47Å; F75-I148 VanDerWaalsContact CE2-CD1 3.47Å; F75-I148 HydrophobicContact CZ-CD1 3.6Å; P80-I148 HydrophobicContact CG-CD1 4.13Å; P80-I148 WeakPolarHBondContact O-CG2 3.41Å; F84-I148 HydrophobicContact CB-CD1 3.57Å; W145-I148 WeakPolarHBondContact O-CG1 3.46Å; W145-I148 PolarHBondContact O-N 3.34Å; K146-I148 VanDerWaalsContact C-N 3.33Å; I148-V150 HydrophobicContact CD1-CG2 4.47Å; I148-V150 HydrophobicContact CG1-CG2 4.4Å
149K93.2Very high86Confident110 Ų11041.2 Ų41.248%0.47822%0.216SC..EExtended strand (participates in β ladder)trans-86137.3168.1-66.1173.2-175.6173.60109.1K82 L83 F84 L540 T542K82-K149 PolarHBondContact O-N 2.83Å; L83-K149 CarbonylContact C-O 3.6Å; L83-K149 WeakPolarHBondContact CA-O 3.35Å; L83-K149 HydrophobicContact CD1-CB 3.86Å; F84-K149 PolarHBondContact N-O 3.47Å; K149-L540 HydrophobicContact CB-CD1 4.07Å; K149-L540 HydrophobicContact CG-CD1 4.48Å; K149-T542 HydrophobicContact CG-CG2 3.81Å
150V93.5Very high84.9Confident0 Ų041.4 Ų41.40%022%0.217CC..EExtended strand (participates in β ladder)trans-115.2128.9172.3-175.90000109F84 M86 V135 M139 W145 I148 Y541F84-V150 HydrophobicContact CB-CG2 4.39Å; F84-V150 HydrophobicContact CD1-CG1 4.04Å; F84-V150 HydrophobicContact CD1-CG2 4.4Å; F84-V150 CarbonylContact O-C 3.21Å; F84-V150 VanDerWaalsContact O-CA 3.25Å; F84-V150 WeakPolarHBondContact O-CA 3.34Å; M86-V150 HydrophobicContact CE-CG1 4.14Å; V135-V150 HydrophobicContact CG1-CB 4.22Å; V135-V150 HydrophobicContact CG1-CG1 3.94Å; V135-V150 HydrophobicContact CG2-CG1 4.21Å; M139-V150 HydrophobicContact SD-CG2 3.78Å; W145-V150 HydrophobicContact CE3-CG2 3.8Å; W145-V150 HydrophobicContact CZ3-CG1 4.18Å; W145-V150 HydrophobicContact CZ3-CG2 4.09Å; I148-V150 HydrophobicContact CD1-CG2 4.47Å; I148-V150 HydrophobicContact CG1-CG2 4.4Å; V150-Y541 PolarHBondContact N-O 3.43Å; V150-Y541 PolarHBondContact O-N 2.87Å
151I92.1Very high84.4Confident2 Ų240.1 Ų40.11%0.0121%0.211CC..EExtended strand (participates in β ladder)trans-113.8124.2172.9-64.7175.5000108.5L83 F84 F85 M86 Y170 F539 L540L83-I151 HydrophobicContact CD1-CD1 3.76Å; L83-I151 HydrophobicContact CD1-CG1 3.92Å; F84-I151 PolarHBondContact O-N 3.47Å; F85-I151 CarbonylContact C-O 3.57Å; F85-I151 WeakPolarHBondContact CA-O 3.21Å; F85-I151 HydrophobicContact CD2-CB 3.7Å; F85-I151 HydrophobicContact CD2-CD1 4.03Å; F85-I151 HydrophobicContact CD2-CG1 4.44Å; F85-I151 HydrophobicContact CD2-CG2 3.69Å; F85-I151 HydrophobicContact CE2-CB 4.04Å; F85-I151 HydrophobicContact CE2-CD1 4.23Å; F85-I151 HydrophobicContact CE2-CG2 3.48Å; F85-I151 VanDerWaalsContact CE2-CG2 3.48Å; F85-I151 HydrophobicContact CG-CB 4.23Å; F85-I151 HydrophobicContact CG-CG2 4.36Å; F85-I151 HydrophobicContact CZ-CG2 3.98Å; M86-I151 PolarHBondContact N-O 3.02Å; I151-Y170 HydrophobicContact CD1-CD2 3.82Å; I151-Y170 HydrophobicContact CD1-CE2 3.21Å; I151-F539 WeakPolarHBondContact CA-O 3.4Å; I151-L540 HydrophobicContact CD1-CD1 4.22Å; I151-L540 HydrophobicContact CG1-CB 4.47Å; I151-L540 HydrophobicContact CG1-CD1 3.63Å
152Y90.5Very high84.4Confident5 Ų536.2 Ų36.22%0.0219%0.186CC..EExtended strand (participates in β ladder)trans-107.8118.4168.7174.7-109.6000109.1M86 V88 Y131 C538 F539M86-Y152 HydrophobicContact CB-CD2 4.33Å; M86-Y152 HydrophobicContact CE-CD2 4.23Å; V88-Y152 HydrophobicContact CG2-CE2 3.88Å; Y131-Y152 HydrophobicContact CD1-CE2 4.4Å; Y131-Y152 HydrophobicContact CD2-CE2 4.16Å; Y131-Y152 WeakPolarHBondContact CD2-OH 3.46Å; Y131-Y152 AromaticContact CG-CE2 3.83Å; Y131-Y152 HydrophobicContact CG-CE2 3.83Å; Y152-C538 WeakPolarHBondContact O-CA 3Å; Y152-F539 HydrophobicContact CD1-CD2 4.02Å; Y152-F539 PolarHBondContact N-O 3.22Å; Y152-F539 PolarHBondContact O-N 3.38Å
153S89.7Confident84.3Confident0 Ų035.6 Ų35.60%018%0.183CC..EExtended strand (participates in β ladder)trans-111.198.9174.7-164.20000108.7M86 V88 K166 C538M86-S153 PolarHBondContact O-N 3Å; V88-S153 PolarHBondContact N-O 3.31Å; S153-K166 WeakPolarHBondContact OG-CD 3.42Å; S153-C538 PolarHBondContact OG-SG 3.21Å
154G85.2Confident84.1Confident0 Ų031.3 Ų31.30%016%0.155CC..  trans-75.8174.4-175.700000114.1D156 V157 K166G154-D156 VanDerWaalsContact C-OD1 3.31Å; G154-D156 WeakPolarHBondContact CA-OD1 3.39Å; G154-D156 PolarHBondContact O-N 3.47Å; G154-V157 WeakPolarHBondContact O-CB 3.22Å; G154-V157 WeakPolarHBondContact O-CG2 3.38Å; G154-V157 PolarHBondContact O-N 3.15Å; G154-K166 PolarHBondContact O-NZ 2.9Å
155H82Confident83.9Confident62 Ų6227.9 Ų27.929%0.28714%0.137SC..THydrogen-bonded Turntrans-63-22.2177.762.5-88.1000113.8V88 D89 G90 V157V88-H155 HydrophobicContact CG1-CB 4.18Å; D89-H155 VanDerWaalsContact O-CA 3.27Å; D89-H155 WeakPolarHBondContact O-CA 3.48Å; D89-H155 WeakPolarHBondContact O-CB 3.31Å; G90-H155 WeakPolarHBondContact CA-O 3.31Å; H155-V157 VanDerWaalsContact C-N 3.33Å
156D74.6Confident83.8Confident34 Ų3427.9 Ų27.918%0.18214%0.137CC..THydrogen-bonded Turntrans-78.2-13.5-179.956.3-32.9000113.3G154 R158 P535 G536G154-D156 VanDerWaalsContact C-OD1 3.31Å; G154-D156 WeakPolarHBondContact CA-OD1 3.39Å; G154-D156 PolarHBondContact O-N 3.47Å; D156-R158 PolarHBondContact O-N 2.77Å; D156-P535 WeakPolarHBondContact O-CA 3.42Å; D156-G536 PolarHBondContact O-N 3Å; D156-G536 VanDerWaalsContact OD2-CA 3.3Å; D156-G536 WeakPolarHBondContact OD2-CA 3.35Å
157V74.1Confident83.9Confident5 Ų524.8 Ų24.83%0.0312%0.123CC..BIsolated β-bridgetrans-69116.7-179.1178.30000111.3G154 H155G154-V157 WeakPolarHBondContact O-CB 3.22Å; G154-V157 WeakPolarHBondContact O-CG2 3.38Å; G154-V157 PolarHBondContact O-N 3.15Å; H155-V157 VanDerWaalsContact C-N 3.33Å
158R64.3Low83.9Confident92 Ų9221.1 Ų21.135%0.3479%0.092SC..  trans-76.1-40.3-171.8-164-174.1-173.3-170.32.5115.2D156 S160 A453 S454 P535D156-R158 PolarHBondContact O-N 2.77Å; R158-S160 VanDerWaalsContact C-N 3.26Å; R158-S160 PolarHBondContact O-N 2.6Å; R158-A453 VanDerWaalsContact NH2-CB 3.33Å; R158-S454 VanDerWaalsContact CG-OG 3.25Å; R158-S454 WeakPolarHBondContact CG-OG 3.46Å; R158-P535 HydrophobicContact CB-CB 4.06Å; R158-P535 HydrophobicContact CB-CG 4.49Å; R158-P535 HydrophobicContact CG-CG 4.4Å
159Y63.6Low83.7Confident95 Ų9521 Ų2137%0.3739%0.092SC..THydrogen-bonded Turntrans-79-4.7-163.3-60.8-89.9000114.8L575 A576Y159-L575 WeakPolarHBondContact CD2-O 3.41Å; Y159-L575 WeakPolarHBondContact CE2-O 3.41Å; Y159-A576 HydrophobicContact CD1-CB 3.74Å; Y159-A576 HydrophobicContact CD2-CB 3.82Å; Y159-A576 HydrophobicContact CE1-CB 4.06Å; Y159-A576 HydrophobicContact CE2-CB 4.13Å; Y159-A576 HydrophobicContact CG-CB 3.59Å
160S63.8Low83.5Confident5 Ų516.9 Ų16.94%0.0357%0.074CC..THydrogen-bonded Turntrans-14927.7-179.5-59.90000113.8R158 E162 K166 S169R158-S160 VanDerWaalsContact C-N 3.26Å; R158-S160 PolarHBondContact O-N 2.6Å; S160-E162 CarbonylContact O-C 3.48Å; S160-E162 PolarHBondContact O-N 2.84Å; S160-K166 WeakPolarHBondContact O-CG 3.42Å; S160-S169 PolarHBondContact OG-OG 2.96Å
161G74.2Confident83.4Confident2 Ų216.9 Ų16.92%0.0217%0.074CC..  trans35-89.6163.900000117.5G90 V91 K166G90-G161 CarbonylContact C-O 3.58Å; G90-G161 VanDerWaalsContact CA-O 3.27Å; G90-G161 WeakPolarHBondContact CA-O 3.01Å; G90-G161 PolarHBondContact N-O 3.05Å; V91-G161 WeakPolarHBondContact O-CA 3.32Å; G161-K166 WeakPolarHBondContact O-CE 3.38Å; G161-K166 PolarHBondContact O-NZ 3.28Å; G161-K166 VanDerWaalsContact O-NZ 3.11Å
162E87.2Confident83.3Confident9 Ų919.4 Ų19.44%0.0428%0.083CC..SBendtrans-76.2147.4-179-66172.2-99.600113.3A92 P93 K96 S160 E164 H165 K166 Y416A92-E162 HydrophobicContact CB-CG 4.2Å; P93-E162 WeakPolarHBondContact CD-OE1 3.49Å; K96-E162 WeakPolarHBondContact CD-OE2 3.4Å; K96-E162 WeakPolarHBondContact CE-OE2 3.37Å; K96-E162 IonicContact NZ-OE2 2.62Å; K96-E162 PolarHBondContact NZ-OE2 2.73Å; K96-E162 VanDerWaalsContact NZ-OE2 3.11Å; S160-E162 CarbonylContact O-C 3.48Å; S160-E162 PolarHBondContact O-N 2.84Å; E162-E164 HydrophobicContact CB-CG 4.35Å; E162-E164 PolarHBondContact O-N 2.83Å; E162-H165 PolarHBondContact O-N 2.91Å; E162-H165 VanDerWaalsContact O-N 3.08Å; E162-K166 PolarHBondContact O-N 3.16Å; E162-Y416 VanDerWaalsContact CD-OH 3.27Å; E162-Y416 PolarHBondContact OE1-OH 3.18Å; E162-Y416 VanDerWaalsContact OE1-OH 3.04Å; E162-Y416 PolarHBondContact OE2-OH 3.31Å
163G88.7Confident83.2Confident0 Ų020.9 Ų20.90%09%0.089CC..Hα-helixtrans-56.6-47.4-176.600000112.5A87 D89 H165 K166 I167A87-G163 VanDerWaalsContact CB-O 3.26Å; A87-G163 WeakPolarHBondContact CB-O 3.41Å; D89-G163 WeakPolarHBondContact OD1-CA 3.5Å; D89-G163 PolarHBondContact OD1-N 3.44Å; G163-H165 VanDerWaalsContact C-N 3.29Å; G163-H165 PolarHBondContact O-N 3.17Å; G163-K166 WeakPolarHBondContact O-CB 3.35Å; G163-K166 PolarHBondContact O-N 3.11Å; G163-I167 WeakPolarHBondContact O-CG1 3.44Å; G163-I167 PolarHBondContact O-N 3.39Å; G163-I167 VanDerWaalsContact O-N 3.1Å
164E89Confident83.3Confident7 Ų721.7 Ų21.73%0.0339%0.093CC..Hα-helixtrans-58.1-38.4175.166.3-178.3-168.200112.5E162 I167 M168 L195 L198 Y416E162-E164 HydrophobicContact CB-CG 4.35Å; E162-E164 PolarHBondContact O-N 2.83Å; E164-I167 WeakPolarHBondContact O-CB 3.28Å; E164-I167 PolarHBondContact O-N 2.93Å; E164-M168 WeakPolarHBondContact O-CB 3.32Å; E164-M168 VanDerWaalsContact O-CG 3.24Å; E164-M168 WeakPolarHBondContact O-CG 3.43Å; E164-M168 PolarHBondContact O-N 3.31Å; E164-L195 HydrophobicContact CB-CD2 3.67Å; E164-L198 HydrophobicContact CB-CD1 3.7Å; E164-L198 HydrophobicContact CG-CD1 3.83Å; E164-Y416 PolarHBondContact OE1-OH 3.12Å
165H88.3Confident83.5Confident2 Ų225.9 Ų25.91%0.00911%0.109CC..Hα-helixtrans-73.6-34.6177.4-79.2-75.8000113E162 G163 I167 M168 S169 Y416E162-H165 PolarHBondContact O-N 2.91Å; E162-H165 VanDerWaalsContact O-N 3.08Å; G163-H165 VanDerWaalsContact C-N 3.29Å; G163-H165 PolarHBondContact O-N 3.17Å; H165-I167 VanDerWaalsContact C-N 3.26Å; H165-I167 PolarHBondContact O-N 3.21Å; H165-M168 PolarHBondContact O-N 3.28Å; H165-S169 VanDerWaalsContact O-CB 3.25Å; H165-S169 WeakPolarHBondContact O-CB 3.33Å; H165-S169 PolarHBondContact O-N 3.22Å; H165-S169 PolarHBondContact O-OG 3.12Å; H165-Y416 AromaticContact CD2-CE1 4Å; H165-Y416 AromaticContact CD2-CE2 3.68Å; H165-Y416 AromaticContact CD2-CZ 3.35Å; H165-Y416 PolarHBondContact CD2-OH 3.25Å; H165-Y416 AromaticContact CE1-CD1 3.81Å; H165-Y416 AromaticContact CE1-CE1 3.61Å; H165-Y416 AromaticContact CE1-CE2 3.89Å; H165-Y416 AromaticContact CE1-CZ 3.65Å; H165-Y416 PolarHBondContact CE1-O 3.46Å; H165-Y416 PolarHBondContact ND1-O 2.92Å; H165-Y416 AromaticContact NE2-CD1 3.66Å; H165-Y416 AromaticContact NE2-CD2 3.98Å; H165-Y416 AromaticContact NE2-CE1 2.99Å; H165-Y416 WeakPolarHBondContact NE2-CE1 3.49Å; H165-Y416 AromaticContact NE2-CE2 3.37Å; H165-Y416 WeakPolarHBondContact NE2-CE2 3.21Å; H165-Y416 AromaticContact NE2-CZ 2.81Å; H165-Y416 PolarHBondContact NE2-OH 3.09Å
166K90.5Very high83.8Confident0 Ų026.4 Ų26.40%012%0.124CC..Hα-helixtrans-58.7-43.2171.6-70.7159.3-176.7-178.10110.6F85 A87 V88 S153 G154 S160 G161 E162 G163 Y170F85-K166 HydrophobicContact CE1-CB 4.28Å; F85-K166 HydrophobicContact CZ-CB 4.3Å; A87-K166 HydrophobicContact CB-CB 4.19Å; V88-K166 PolarHBondContact O-NZ 3.04Å; S153-K166 WeakPolarHBondContact OG-CD 3.42Å; G154-K166 PolarHBondContact O-NZ 2.9Å; S160-K166 WeakPolarHBondContact O-CG 3.42Å; G161-K166 WeakPolarHBondContact O-CE 3.38Å; G161-K166 PolarHBondContact O-NZ 3.28Å; G161-K166 VanDerWaalsContact O-NZ 3.11Å; E162-K166 PolarHBondContact O-N 3.16Å; G163-K166 WeakPolarHBondContact O-CB 3.35Å; G163-K166 PolarHBondContact O-N 3.11Å; K166-Y170 PolarHBondContact O-N 3.12Å; K166-Y170 VanDerWaalsContact O-N 3.16Å
167I92.6Very high84.5Confident0 Ų028.6 Ų28.60%013%0.131CC..Hα-helixtrans-64.9-52.5177.2-68162.3000110.3Y36 F85 A87 G163 E164 H165 S169 Y170 I171 L188Y36-I167 HydrophobicContact CD1-CB 4.5Å; Y36-I167 HydrophobicContact CD1-CG1 4.45Å; Y36-I167 HydrophobicContact CD1-CG2 3.6Å; Y36-I167 HydrophobicContact CE1-CG2 4.38Å; Y36-I167 HydrophobicContact CG-CG2 3.69Å; F85-I167 HydrophobicContact CD1-CG1 3.76Å; F85-I167 HydrophobicContact CE1-CG1 3.87Å; A87-I167 HydrophobicContact CB-CD1 3.78Å; A87-I167 HydrophobicContact CB-CG1 3.75Å; G163-I167 WeakPolarHBondContact O-CG1 3.44Å; G163-I167 PolarHBondContact O-N 3.39Å; G163-I167 VanDerWaalsContact O-N 3.1Å; E164-I167 WeakPolarHBondContact O-CB 3.28Å; E164-I167 PolarHBondContact O-N 2.93Å; H165-I167 VanDerWaalsContact C-N 3.26Å; H165-I167 PolarHBondContact O-N 3.21Å; I167-S169 VanDerWaalsContact C-N 3.34Å; I167-S169 PolarHBondContact O-N 3.35Å; I167-Y170 WeakPolarHBondContact O-CB 3.47Å; I167-Y170 PolarHBondContact O-N 2.9Å; I167-Y170 VanDerWaalsContact O-N 3.09Å; I167-I171 HydrophobicContact CG2-CD1 3.86Å; I167-I171 HydrophobicContact CG2-CG1 4.44Å; I167-I171 WeakPolarHBondContact O-CG1 3.1Å; I167-I171 PolarHBondContact O-N 2.85Å; I167-L188 HydrophobicContact CD1-CD1 3.71Å; I167-L188 HydrophobicContact CG2-CD1 4.25Å
168M91.2Very high85.2Confident4 Ų438.8 Ų38.82%0.0218%0.176CC..Hα-helixtrans-65-37.3-176.5-68.6-59.2-67.100112.7E164 H165 Y170 I171 R172 L198 C202E164-M168 WeakPolarHBondContact O-CB 3.32Å; E164-M168 VanDerWaalsContact O-CG 3.24Å; E164-M168 WeakPolarHBondContact O-CG 3.43Å; E164-M168 PolarHBondContact O-N 3.31Å; H165-M168 PolarHBondContact O-N 3.28Å; M168-Y170 VanDerWaalsContact C-N 3.32Å; M168-Y170 PolarHBondContact O-N 3.4Å; M168-I171 PolarHBondContact O-N 3.4Å; M168-I171 HydrophobicContact SD-CD1 4.24Å; M168-R172 WeakPolarHBondContact O-CG 3.24Å; M168-R172 PolarHBondContact O-N 2.9Å; M168-L198 HydrophobicContact CE-CB 4.1Å; M168-L198 HydrophobicContact CE-CD2 4.46Å; M168-L198 WeakPolarHBondContact CE-O 3.46Å; M168-L198 HydrophobicContact CG-CB 4.09Å; M168-L198 HydrophobicContact CG-CD1 4.04Å; M168-L198 HydrophobicContact CG-CD2 4.04Å; M168-L198 HydrophobicContact CG-CG 4.28Å; M168-L198 HydrophobicContact SD-CB 4.04Å; M168-C202 HydrophobicContact CE-CB 3.98Å
169S89Confident86.5Confident6 Ų640.9 Ų40.94%0.04219%0.194CC..Hα-helixtrans-62.7-39.2172.8-65.50000112.1S160 H165 I167 R172 Y173S160-S169 PolarHBondContact OG-OG 2.96Å; H165-S169 VanDerWaalsContact O-CB 3.25Å; H165-S169 WeakPolarHBondContact O-CB 3.33Å; H165-S169 PolarHBondContact O-N 3.22Å; H165-S169 PolarHBondContact O-OG 3.12Å; I167-S169 VanDerWaalsContact C-N 3.34Å; I167-S169 PolarHBondContact O-N 3.35Å; S169-R172 VanDerWaalsContact CA-NH2 3.34Å; S169-R172 PolarHBondContact OG-NH2 3.1Å; S169-Y173 WeakPolarHBondContact O-CB 3.48Å; S169-Y173 PolarHBondContact O-N 3.44Å
170Y90.2Very high87.9Confident24 Ų2439 Ų399%0.09419%0.186CC..Hα-helixtrans-64.9-43.5173.5-179.7-90.4000112.2Y36 L83 F85 I151 K166 I167 M168 Y173 I174 F577Y36-Y170 AromaticContact CE1-CD1 3.94Å; Y36-Y170 HydrophobicContact CE1-CD1 3.94Å; Y36-Y170 HydrophobicContact CE1-CE1 4.37Å; L83-Y170 HydrophobicContact CD2-CD1 3.98Å; L83-Y170 HydrophobicContact CD2-CE1 3.13Å; L83-Y170 WeakPolarHBondContact CD2-OH 3.4Å; F85-Y170 HydrophobicContact CD2-CD1 4.15Å; F85-Y170 HydrophobicContact CD2-CD2 4.26Å; F85-Y170 AromaticContact CD2-CG 3.92Å; F85-Y170 HydrophobicContact CD2-CG 3.92Å; F85-Y170 HydrophobicContact CE2-CD1 4.33Å; F85-Y170 AromaticContact CE2-CD2 3.86Å; F85-Y170 HydrophobicContact CE2-CD2 3.86Å; F85-Y170 AromaticContact CE2-CG 3.65Å; F85-Y170 HydrophobicContact CE2-CG 3.65Å; I151-Y170 HydrophobicContact CD1-CD2 3.82Å; I151-Y170 HydrophobicContact CD1-CE2 3.21Å; K166-Y170 PolarHBondContact O-N 3.12Å; K166-Y170 VanDerWaalsContact O-N 3.16Å; I167-Y170 WeakPolarHBondContact O-CB 3.47Å; I167-Y170 PolarHBondContact O-N 2.9Å; I167-Y170 VanDerWaalsContact O-N 3.09Å; M168-Y170 VanDerWaalsContact C-N 3.32Å; M168-Y170 PolarHBondContact O-N 3.4Å; Y170-Y173 HydrophobicContact CD2-CD1 4.36Å; Y170-Y173 HydrophobicContact CE2-CD1 4.33Å; Y170-Y173 WeakPolarHBondContact O-CB 3.48Å; Y170-Y173 PolarHBondContact O-N 3.36Å; Y170-I174 HydrophobicContact CD1-CD1 4.35Å; Y170-I174 HydrophobicContact CD1-CG2 4.22Å; Y170-I174 HydrophobicContact CE1-CD1 3.91Å; Y170-I174 HydrophobicContact CE1-CG1 4.37Å; Y170-I174 HydrophobicContact CE1-CG2 3.56Å; Y170-I174 HydrophobicContact CE2-CG2 4.12Å; Y170-I174 PolarHBondContact O-N 3.18Å; Y170-F577 HydrophobicContact CD2-CD1 4.16Å; Y170-F577 AromaticContact CD2-CE1 3.48Å; Y170-F577 HydrophobicContact CD2-CE1 3.48Å; Y170-F577 VanDerWaalsContact CD2-CE1 3.48Å; Y170-F577 AromaticContact CD2-CZ 3.91Å; Y170-F577 HydrophobicContact CD2-CZ 3.91Å; Y170-F577 HydrophobicContact CE2-CE1 4.26Å; Y170-F577 HydrophobicContact CG-CE1 4.42Å
171I91.8Very high89.3Confident0 Ų042.7 Ų42.70%021%0.206CC..Hα-helixtrans-62.5-48.4179.2-65.6175.6000110.3Y36 I167 M168 Y173 I174 R175 C202 F207Y36-I171 HydrophobicContact CD2-CD1 4.32Å; Y36-I171 HydrophobicContact CE1-CD1 4.15Å; Y36-I171 HydrophobicContact CE1-CG1 3.88Å; Y36-I171 HydrophobicContact CE2-CD1 3.94Å; Y36-I171 HydrophobicContact CE2-CG1 4.33Å; I167-I171 HydrophobicContact CG2-CD1 3.86Å; I167-I171 HydrophobicContact CG2-CG1 4.44Å; I167-I171 WeakPolarHBondContact O-CG1 3.1Å; I167-I171 PolarHBondContact O-N 2.85Å; M168-I171 PolarHBondContact O-N 3.4Å; M168-I171 HydrophobicContact SD-CD1 4.24Å; I171-Y173 VanDerWaalsContact C-N 3.27Å; I171-Y173 PolarHBondContact O-N 2.85Å; I171-I174 WeakPolarHBondContact O-CG1 3.43Å; I171-I174 PolarHBondContact O-N 3.07Å; I171-R175 HydrophobicContact CG2-CG 4.34Å; I171-R175 VanDerWaalsContact O-CG 3.26Å; I171-R175 WeakPolarHBondContact O-CG 3.32Å; I171-R175 PolarHBondContact O-N 3.39Å; I171-C202 VanDerWaalsContact CG2-SG 3.52Å; I171-F207 HydrophobicContact CD1-CE2 3.82Å; I171-F207 HydrophobicContact CD1-CZ 4.42Å
172R90.2Very high90.2Very high55 Ų5546.4 Ų46.421%0.20823%0.231CC..Hα-helixtrans-54.9-43.7173-73.5-173.1-68.2-96.4-5.8112M168 S169 R175 A176 Y418M168-R172 WeakPolarHBondContact O-CG 3.24Å; M168-R172 PolarHBondContact O-N 2.9Å; S169-R172 VanDerWaalsContact CA-NH2 3.34Å; S169-R172 PolarHBondContact OG-NH2 3.1Å; R172-R175 PolarHBondContact O-N 3.02Å; R172-A176 PolarHBondContact O-N 2.89Å; R172-Y418 WeakPolarHBondContact CD-O 3.32Å; R172-Y418 PolarHBondContact NH1-O 3.18Å; R172-Y418 VanDerWaalsContact NH1-O 3.09Å
173Y88Confident90.5Very high37 Ų3748.2 Ų48.215%0.14525%0.247CC..Hα-helixtrans-60.6-47.7177.8160.3-108.3000112.9S169 Y170 I171 R175 A176 K177 F577 F582S169-Y173 WeakPolarHBondContact O-CB 3.48Å; S169-Y173 PolarHBondContact O-N 3.44Å; Y170-Y173 HydrophobicContact CD2-CD1 4.36Å; Y170-Y173 HydrophobicContact CE2-CD1 4.33Å; Y170-Y173 WeakPolarHBondContact O-CB 3.48Å; Y170-Y173 PolarHBondContact O-N 3.36Å; I171-Y173 VanDerWaalsContact C-N 3.27Å; I171-Y173 PolarHBondContact O-N 2.85Å; Y173-R175 VanDerWaalsContact C-N 3.31Å; Y173-R175 PolarHBondContact O-N 3.38Å; Y173-A176 PolarHBondContact O-N 2.82Å; Y173-K177 WeakPolarHBondContact OH-CE 3.36Å; Y173-K177 PolarHBondContact OH-NZ 2.89Å; Y173-F577 HydrophobicContact CD1-CD1 4.4Å; Y173-F582 AromaticContact CD1-CE2 3.63Å; Y173-F582 HydrophobicContact CD1-CE2 3.63Å; Y173-F582 HydrophobicContact CD1-CZ 4.05Å; Y173-F582 AromaticContact CD2-CD2 3.83Å; Y173-F582 HydrophobicContact CD2-CD2 3.83Å; Y173-F582 AromaticContact CD2-CE2 3.42Å; Y173-F582 HydrophobicContact CD2-CE2 3.42Å; Y173-F582 VanDerWaalsContact CD2-CE2 3.42Å; Y173-F582 HydrophobicContact CE1-CD2 4.15Å; Y173-F582 AromaticContact CE1-CE2 3.34Å; Y173-F582 HydrophobicContact CE1-CE2 3.34Å; Y173-F582 AromaticContact CE1-CZ 3.68Å; Y173-F582 HydrophobicContact CE1-CZ 3.68Å; Y173-F582 AromaticContact CE2-CD2 3.22Å; Y173-F582 HydrophobicContact CE2-CD2 3.22Å; Y173-F582 AromaticContact CE2-CE2 3.12Å; Y173-F582 HydrophobicContact CE2-CE2 3.12Å; Y173-F582 HydrophobicContact CE2-CG 4.41Å; Y173-F582 HydrophobicContact CE2-CZ 4.23Å; Y173-F582 HydrophobicContact CG-CD2 4.49Å; Y173-F582 AromaticContact CG-CE2 3.64Å; Y173-F582 HydrophobicContact CG-CE2 3.64Å; Y173-F582 HydrophobicContact CG-CZ 4.45Å; Y173-F582 AromaticContact CZ-CD2 3.38Å; Y173-F582 AromaticContact CZ-CE2 3.04Å; Y173-F582 AromaticContact CZ-CZ 3.75Å
174I90.9Very high90.9Very high17 Ų1748.6 Ų48.69%0.08725%0.25CS..Hα-helixtrans-68.9-32.1-179.759.9173000111.9Y170 I171 A176 K177 Y180Y170-I174 HydrophobicContact CD1-CD1 4.35Å; Y170-I174 HydrophobicContact CD1-CG2 4.22Å; Y170-I174 HydrophobicContact CE1-CD1 3.91Å; Y170-I174 HydrophobicContact CE1-CG1 4.37Å; Y170-I174 HydrophobicContact CE1-CG2 3.56Å; Y170-I174 HydrophobicContact CE2-CG2 4.12Å; Y170-I174 PolarHBondContact O-N 3.18Å; I171-I174 WeakPolarHBondContact O-CG1 3.43Å; I171-I174 PolarHBondContact O-N 3.07Å; I174-A176 VanDerWaalsContact C-N 3.35Å; I174-K177 WeakPolarHBondContact O-CB 3.44Å; I174-K177 PolarHBondContact O-N 3.41Å; I174-Y180 HydrophobicContact CB-CD2 4.45Å; I174-Y180 HydrophobicContact CD1-CE2 4.18Å; I174-Y180 HydrophobicContact CG1-CD2 4.48Å; I174-Y180 HydrophobicContact CG1-CE2 4.12Å; I174-Y180 WeakPolarHBondContact O-CB 3.26Å; I174-Y180 WeakPolarHBondContact O-CD2 3.16Å
175R89.1Confident91.2Very high88 Ų8852.8 Ų52.833%0.33227%0.265SS..Hα-helixtrans-65-36.7174.2-71175.475.5-148.7-0.1112.6I171 R172 Y173 K177 Y180 C202 E204I171-R175 HydrophobicContact CG2-CG 4.34Å; I171-R175 VanDerWaalsContact O-CG 3.26Å; I171-R175 WeakPolarHBondContact O-CG 3.32Å; I171-R175 PolarHBondContact O-N 3.39Å; R172-R175 PolarHBondContact O-N 3.02Å; Y173-R175 VanDerWaalsContact C-N 3.31Å; Y173-R175 PolarHBondContact O-N 3.38Å; R175-K177 PolarHBondContact O-N 3.35Å; R175-Y180 HydrophobicContact CB-CD1 4.39Å; R175-Y180 HydrophobicContact CB-CE1 4.32Å; R175-Y180 HydrophobicContact CG-CD1 4.26Å; R175-Y180 HydrophobicContact CG-CE1 3.71Å; R175-Y180 HydrophobicContact CG-CE2 4.14Å; R175-C202 PolarHBondContact NH1-O 3.27Å; R175-C202 PolarHBondContact NH2-O 2.99Å; R175-C202 VanDerWaalsContact NH2-O 3.17Å; R175-E204 WeakPolarHBondContact CD-OE1 3.44Å; R175-E204 IonicContact CZ-OE1 2.75Å; R175-E204 IonicContact NE-OE1 3.08Å; R175-E204 PolarHBondContact NE-OE1 3.13Å; R175-E204 IonicContact NH2-OE1 3.77Å
176A89Confident91.6Very high72 Ų7252.7 Ų52.760%0.59527%0.265SS*.THydrogen-bonded Turntrans-69.9-8178.400000113.7R172 Y173 I174R172-A176 PolarHBondContact O-N 2.89Å; Y173-A176 PolarHBondContact O-N 2.82Å; I174-A176 VanDerWaalsContact C-N 3.35Å
177K89.2Confident91.8Very high80 Ų8052.8 Ų52.835%0.34827%0.266SS..SBendtrans-77142.5178.1-64.1-174.3176.6-175.30111.7Y173 I174 R175 D179 Y180Y173-K177 WeakPolarHBondContact OH-CE 3.36Å; Y173-K177 PolarHBondContact OH-NZ 2.89Å; I174-K177 WeakPolarHBondContact O-CB 3.44Å; I174-K177 PolarHBondContact O-N 3.41Å; R175-K177 PolarHBondContact O-N 3.35Å; K177-D179 WeakPolarHBondContact CB-OD1 3.4Å; K177-D179 PolarHBondContact O-N 2.89Å; K177-Y180 VanDerWaalsContact O-CB 3.27Å; K177-Y180 WeakPolarHBondContact O-CB 3.34Å; K177-Y180 PolarHBondContact O-N 3.3Å; K177-Y180 VanDerWaalsContact O-N 3.12Å
178K89.2Confident91.9Very high220 Ų22052.8 Ų52.896%0.95727%0.266SS*.THydrogen-bonded Turntrans-62.3-28.1179.3-65.3-173.6178-176.10113.9
179D91.2Very high92Very high136 Ų13652.8 Ų52.873%0.72727%0.266SS*.THydrogen-bonded Turntrans-9612.5179.864.9-41.7000113.2K177 N181K177-D179 WeakPolarHBondContact CB-OD1 3.4Å; K177-D179 PolarHBondContact O-N 2.89Å; D179-N181 PolarHBondContact O-N 3.06Å
180Y92.5Very high92Very high54 Ų5452.6 Ų52.621%0.21226%0.264CS..  trans-64.3134.1177.9-175.5-110.8000111.5I174 R175 K177 H186 E204I174-Y180 HydrophobicContact CB-CD2 4.45Å; I174-Y180 HydrophobicContact CD1-CE2 4.18Å; I174-Y180 HydrophobicContact CG1-CD2 4.48Å; I174-Y180 HydrophobicContact CG1-CE2 4.12Å; I174-Y180 WeakPolarHBondContact O-CB 3.26Å; I174-Y180 WeakPolarHBondContact O-CD2 3.16Å; R175-Y180 HydrophobicContact CB-CD1 4.39Å; R175-Y180 HydrophobicContact CB-CE1 4.32Å; R175-Y180 HydrophobicContact CG-CD1 4.26Å; R175-Y180 HydrophobicContact CG-CE1 3.71Å; R175-Y180 HydrophobicContact CG-CE2 4.14Å; K177-Y180 VanDerWaalsContact O-CB 3.27Å; K177-Y180 WeakPolarHBondContact O-CB 3.34Å; K177-Y180 PolarHBondContact O-N 3.3Å; K177-Y180 VanDerWaalsContact O-N 3.12Å; Y180-H186 PolarHBondContact OH-NE2 3.49Å; Y180-E204 PolarHBondContact OH-OE1 2.92Å; Y180-E204 PolarHBondContact OH-OE2 3.15Å
181N94.3Very high91.6Very high84 Ų8454.1 Ų54.145%0.44927%0.274SS..  trans-101115.2176.2-179.3-0.4000109.3D179 A183 T184D179-N181 PolarHBondContact O-N 3.06Å; N181-A183 PolarHBondContact O-N 3.33Å; N181-A183 VanDerWaalsContact O-N 3.15Å; N181-A183 WeakPolarHBondContact OD1-CB 3.49Å; N181-A183 PolarHBondContact OD1-N 3.23Å; N181-T184 VanDerWaalsContact O-CB 3.26Å; N181-T184 WeakPolarHBondContact O-CB 3.23Å; N181-T184 PolarHBondContact O-N 3.31Å; N181-T184 PolarHBondContact O-OG1 3.04Å
182S92.5Very high91.2Very high80 Ų8057.5 Ų57.556%0.55929%0.292SS*.THydrogen-bonded Turntrans-65.7-11177.456.40000114.3T184 P205S182-T184 PolarHBondContact O-N 3.5Å; S182-P205 WeakPolarHBondContact O-CG 3.31Å
183A94.1Very high90.5Very high46 Ų4655.4 Ų55.438%0.3829%0.286SS..THydrogen-bonded Turntrans-84.46.9170.500000113.5N181 R185 Y206N181-A183 PolarHBondContact O-N 3.33Å; N181-A183 VanDerWaalsContact O-N 3.15Å; N181-A183 WeakPolarHBondContact OD1-CB 3.49Å; N181-A183 PolarHBondContact OD1-N 3.23Å; A183-R185 PolarHBondContact O-N 3.01Å; A183-Y206 HydrophobicContact CB-CE2 4.38Å
184T96.1Very high90.3Very high9 Ų954.3 Ų54.36%0.05528%0.283CS..  trans-64.6129.4178.9-61.60000110.4D33 N34 N181 S182 H186D33-T184 HydrophobicContact CB-CG2 3.89Å; D33-T184 WeakPolarHBondContact OD2-CA 3.04Å; N34-T184 WeakPolarHBondContact ND2-CG2 3.43Å; N181-T184 VanDerWaalsContact O-CB 3.26Å; N181-T184 WeakPolarHBondContact O-CB 3.23Å; N181-T184 PolarHBondContact O-N 3.31Å; N181-T184 PolarHBondContact O-OG1 3.04Å; S182-T184 PolarHBondContact O-N 3.5Å; T184-H186 WeakPolarHBondContact CG2-NE2 3.48Å; T184-H186 PolarHBondContact O-CD2 2.88Å; T184-H186 VanDerWaalsContact O-CD2 3.25Å
185R95.5Very high90.2Very high94 Ų9453.5 Ų53.536%0.35528%0.279SS..  trans-98.7119.4-178-59.4-176.1169.5-114.6-3.4111.3E31 F32 D33 N34 A183 Y206E31-R185 WeakPolarHBondContact O-CD 3.38Å; F32-R185 HydrophobicContact CD1-CB 4.17Å; D33-R185 PolarHBondContact N-O 2.8Å; D33-R185 PolarHBondContact OD2-N 3.49Å; N34-R185 PolarHBondContact N-O 3.4Å; N34-R185 VanDerWaalsContact N-O 3.09Å; A183-R185 PolarHBondContact O-N 3.01Å; R185-Y206 HydrophobicContact CG-CG 4.19Å
186H96Very high90Very high0 Ų050.1 Ų50.10%027%0.267CS..EExtended strand (participates in β ladder)trans-106.5127-175.3-62.1-92.9000110.7N34 Y36 Y180 T184 E204 Y206 F207 S208N34-H186 PolarHBondContact ND2-CE1 3.04Å; Y36-H186 HydrophobicContact CE2-CB 3.97Å; Y36-H186 AromaticContact CE2-ND1 3.38Å; Y36-H186 WeakPolarHBondContact CE2-ND1 3.45Å; Y36-H186 AromaticContact CZ-ND1 3.55Å; Y36-H186 PolarHBondContact OH-CE1 3.2Å; Y36-H186 PolarHBondContact OH-ND1 3.17Å; Y180-H186 PolarHBondContact OH-NE2 3.49Å; T184-H186 WeakPolarHBondContact CG2-NE2 3.48Å; T184-H186 PolarHBondContact O-CD2 2.88Å; T184-H186 VanDerWaalsContact O-CD2 3.25Å; H186-E204 IonicContact NE2-OE2 3.09Å; H186-Y206 PolarHBondContact N-O 2.68Å; H186-F207 HydrophobicContact CB-CD2 3.81Å; H186-F207 HydrophobicContact CB-CE2 4.19Å; H186-F207 HydrophobicContact CB-CG 4.33Å; H186-S208 PolarHBondContact O-N 3.25Å
187C94.9Very high90Very high2 Ų246.8 Ų46.81%0.01424%0.239CC..EExtended strand (participates in β ladder)trans-116.2113.8170.8-179.40000109.5F32 N34 L35 Y36 V78 S208F32-C187 HydrophobicContact CB-CB 4.24Å; F32-C187 HydrophobicContact CD1-CB 3.53Å; F32-C187 HydrophobicContact CD2-CB 4.03Å; F32-C187 HydrophobicContact CE1-CB 3.74Å; F32-C187 HydrophobicContact CE2-CB 4.19Å; F32-C187 HydrophobicContact CG-CB 3.66Å; F32-C187 HydrophobicContact CZ-CB 4.04Å; N34-C187 PolarHBondContact O-N 3.12Å; L35-C187 CarbonylContact C-O 3.56Å; L35-C187 WeakPolarHBondContact CA-O 3.43Å; L35-C187 HydrophobicContact CD1-CB 4.28Å; Y36-C187 WeakPolarHBondContact CD2-O 3.39Å; Y36-C187 PolarHBondContact N-O 3.07Å; V78-C187 HydrophobicContact CG1-CB 4.02Å; C187-S208 CarbonylContact C-O 3.59Å; C187-S208 WeakPolarHBondContact CA-O 3.48Å
188L95Very high90.1Very high1 Ų143 Ų431%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-107.1119.8176.3169.358.4000109.7I167 L195 F207 S208 L209 L210I167-L188 HydrophobicContact CD1-CD1 3.71Å; I167-L188 HydrophobicContact CG2-CD1 4.25Å; L188-L195 HydrophobicContact CD2-CB 4.27Å; L188-L195 HydrophobicContact CD2-CD2 4.07Å; L188-F207 HydrophobicContact CB-CE1 3.89Å; L188-F207 HydrophobicContact CB-CZ 3.93Å; L188-F207 HydrophobicContact CD2-CE1 3.99Å; L188-F207 HydrophobicContact CD2-CZ 3.74Å; L188-S208 PolarHBondContact N-O 3.2Å; L188-L209 HydrophobicContact CB-CD2 3.93Å; L188-L209 HydrophobicContact CD2-CD2 3.94Å; L188-L209 HydrophobicContact CG-CD2 3.94Å; L188-L209 CarbonylContact O-C 3.59Å; L188-L209 WeakPolarHBondContact O-CA 3.39Å; L188-L210 PolarHBondContact O-N 3.09Å
189Y93.6Very high90.1Very high3 Ų333 Ų331%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-92.3130.8174.4173.3-92.1000111Y36 L37 D38 I42 Y70 L74 L210Y36-Y189 PolarHBondContact O-N 3.14Å; L37-Y189 HydrophobicContact CD2-CD1 4.18Å; L37-Y189 HydrophobicContact CD2-CG 4.09Å; D38-Y189 PolarHBondContact N-O 2.88Å; D38-Y189 VanDerWaalsContact N-O 3.12Å; I42-Y189 HydrophobicContact CD1-CD1 4.09Å; I42-Y189 HydrophobicContact CD1-CE1 3.91Å; I42-Y189 HydrophobicContact CG1-CD1 4.15Å; I42-Y189 HydrophobicContact CG1-CE1 3.5Å; I42-Y189 VanDerWaalsContact CG1-CE1 3.5Å; Y70-Y189 HydrophobicContact CE1-CE1 4.26Å; Y70-Y189 HydrophobicContact CE1-CE2 4.43Å; Y70-Y189 AromaticContact CE1-CZ 3.8Å; Y70-Y189 WeakPolarHBondContact CE1-OH 3.39Å; Y70-Y189 PolarHBondContact OH-OH 3.43Å; L74-Y189 HydrophobicContact CD1-CD1 3.7Å; L74-Y189 HydrophobicContact CD1-CD2 3.81Å; L74-Y189 HydrophobicContact CD1-CE1 3.88Å; L74-Y189 HydrophobicContact CD1-CE2 3.97Å; L74-Y189 HydrophobicContact CD1-CG 3.68Å; L74-Y189 HydrophobicContact CD2-CD2 3.75Å; L74-Y189 HydrophobicContact CD2-CE2 3.76Å; L74-Y189 HydrophobicContact CD2-CG 4.42Å; L74-Y189 HydrophobicContact CG-CD2 4.46Å; Y189-L210 WeakPolarHBondContact CA-O 3.25Å; Y189-L210 HydrophobicContact CD2-CB 4.22Å; Y189-L210 HydrophobicContact CD2-CD2 3.93Å; Y189-L210 HydrophobicContact CD2-CG 3.88Å; Y189-L210 WeakPolarHBondContact CD2-O 3.36Å
190G88.8Confident90.1Very high2 Ų229.5 Ų29.52%0.02116%0.164CC..  trans169.7159.5167.200000112.2L195 L210 R211G190-L195 VanDerWaalsContact CA-CD1 3.4Å; G190-L210 PolarHBondContact N-O 2.92Å; G190-R211 WeakPolarHBondContact O-CG 2.93Å
191L82.1Confident90Very high57 Ų5727.5 Ų27.530%0.29816%0.157SC..  trans-95.1-12-177.5-61.6179.9000112.7R211 E212L191-R211 HydrophobicContact CD2-CB 4.38Å; L191-R211 PolarHBondContact O-NH2 2.96Å; L191-E212 HydrophobicContact CD2-CB 3.99Å; L191-E212 HydrophobicContact CD2-CG 4.15Å
192D82.3Confident89.9Confident71 Ų7123.6 Ų23.638%0.3814%0.137SC..  trans-68.4143.7-177.4-66-46.9000111.9L195D192-L195 HydrophobicContact CB-CD1 4.38Å; D192-L195 HydrophobicContact CB-CG 4.13Å; D192-L195 WeakPolarHBondContact O-CB 3.49Å; D192-L195 WeakPolarHBondContact O-CG 3.31Å; D192-L195 PolarHBondContact O-N 3.43Å
193A75.8Confident89.8Confident10 Ų1021.4 Ų21.48%0.08312%0.118CC..SBendtrans-79.5-26.1-174.800000111.8I3 P4 L195 I196I3-A193 VanDerWaalsContact C-CB 3.41Å; I3-A193 HydrophobicContact CB-CB 3.52Å; I3-A193 HydrophobicContact CG2-CB 3.49Å; I3-A193 VanDerWaalsContact CG2-CB 3.49Å; I3-A193 WeakPolarHBondContact CG2-O 3.27Å; P4-A193 HydrophobicContact CG-CB 3.93Å; A193-L195 PolarHBondContact O-N 3.22Å; A193-I196 WeakPolarHBondContact O-CB 2.77Å; A193-I196 PolarHBondContact O-N 2.75Å
194D83.9Confident89.7Confident15 Ų1520.1 Ų20.18%0.0810%0.104CC..Hα-helixtrans-57.5-28.7172.1-74-40.1000112.1I196 I197 L198 Y417D194-I196 PolarHBondContact O-N 2.92Å; D194-I197 WeakPolarHBondContact O-CB 3.32Å; D194-I197 PolarHBondContact O-N 2.89Å; D194-L198 WeakPolarHBondContact O-CG 3.43Å; D194-L198 PolarHBondContact O-N 3.15Å; D194-Y417 HydrophobicContact CB-CE1 4.27Å; D194-Y417 PolarHBondContact OD1-OH 3.21Å
195L88.5Confident89.3Confident0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-62-26.7175.9-50.9179.8000112.9E164 L188 G190 D192 A193 L198 G199 L209E164-L195 HydrophobicContact CB-CD2 3.67Å; L188-L195 HydrophobicContact CD2-CB 4.27Å; L188-L195 HydrophobicContact CD2-CD2 4.07Å; G190-L195 VanDerWaalsContact CA-CD1 3.4Å; D192-L195 HydrophobicContact CB-CD1 4.38Å; D192-L195 HydrophobicContact CB-CG 4.13Å; D192-L195 WeakPolarHBondContact O-CB 3.49Å; D192-L195 WeakPolarHBondContact O-CG 3.31Å; D192-L195 PolarHBondContact O-N 3.43Å; A193-L195 PolarHBondContact O-N 3.22Å; L195-L198 HydrophobicContact CD2-CD1 4.37Å; L195-G199 PolarHBondContact O-N 2.8Å; L195-L209 HydrophobicContact CB-CD1 4.41Å; L195-L209 HydrophobicContact CB-CD2 3.92Å
196I86Confident89.1Confident16 Ų1624.3 Ų24.38%0.08213%0.131CC..Hα-helixtrans-67.3-47.3172.3-61.9169.4000110.1F6 A7 L10 A193 D194 G199 L200 L209F6-I196 HydrophobicContact CD1-CG2 4.43Å; F6-I196 HydrophobicContact CE1-CG2 4.04Å; A7-I196 HydrophobicContact CB-CD1 3.8Å; L10-I196 HydrophobicContact CD1-CG2 4.3Å; A193-I196 WeakPolarHBondContact O-CB 2.77Å; A193-I196 PolarHBondContact O-N 2.75Å; D194-I196 PolarHBondContact O-N 2.92Å; I196-G199 PolarHBondContact O-N 3.07Å; I196-L200 HydrophobicContact CG2-CD1 4.24Å; I196-L200 WeakPolarHBondContact O-CG 3.43Å; I196-L200 PolarHBondContact O-N 3.13Å; I196-L209 HydrophobicContact CB-CD1 4.21Å; I196-L209 HydrophobicContact CG1-CD1 3.6Å
197I89Confident88.9Confident2 Ų226 Ų261%0.0114%0.138CC..Hα-helixtrans-64.3-46.8178.3-58.7-55.3000110.2I3 D194 G199 L200 V201 W244 V245 V248 Y417I3-I197 HydrophobicContact CD1-CG1 4.01Å; I3-I197 HydrophobicContact CG2-CG1 4.44Å; D194-I197 WeakPolarHBondContact O-CB 3.32Å; D194-I197 PolarHBondContact O-N 2.89Å; I197-G199 VanDerWaalsContact C-N 3.32Å; I197-G199 PolarHBondContact O-N 3.3Å; I197-L200 PolarHBondContact O-N 3.4Å; I197-V201 HydrophobicContact CG2-CG2 4.18Å; I197-V201 WeakPolarHBondContact O-CB 3.34Å; I197-V201 VanDerWaalsContact O-CG2 3.3Å; I197-V201 WeakPolarHBondContact O-CG2 3.49Å; I197-V201 PolarHBondContact O-N 3.43Å; I197-W244 HydrophobicContact CD1-CH2 4.19Å; I197-W244 HydrophobicContact CD1-CZ3 3.78Å; I197-V245 HydrophobicContact CG2-CG1 3.59Å; I197-V245 HydrophobicContact CG2-CG2 4.18Å; I197-V248 HydrophobicContact CD1-CB 4.41Å; I197-V248 HydrophobicContact CD1-CG1 4.16Å; I197-Y417 HydrophobicContact CB-CD1 4.35Å; I197-Y417 HydrophobicContact CB-CE1 4.22Å; I197-Y417 HydrophobicContact CG2-CD1 3.75Å; I197-Y417 HydrophobicContact CG2-CE1 3.95Å; I197-Y417 HydrophobicContact CG2-CG 4.07Å
198L90.4Very high88.7Confident0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-61.8-38.6177.3-68.9173.9000112.4E164 M168 D194 L195 C202 Y417E164-L198 HydrophobicContact CB-CD1 3.7Å; E164-L198 HydrophobicContact CG-CD1 3.83Å; M168-L198 HydrophobicContact CE-CB 4.1Å; M168-L198 HydrophobicContact CE-CD2 4.46Å; M168-L198 WeakPolarHBondContact CE-O 3.46Å; M168-L198 HydrophobicContact CG-CB 4.09Å; M168-L198 HydrophobicContact CG-CD1 4.04Å; M168-L198 HydrophobicContact CG-CD2 4.04Å; M168-L198 HydrophobicContact CG-CG 4.28Å; M168-L198 HydrophobicContact SD-CB 4.04Å; D194-L198 WeakPolarHBondContact O-CG 3.43Å; D194-L198 PolarHBondContact O-N 3.15Å; L195-L198 HydrophobicContact CD2-CD1 4.37Å; L198-C202 WeakPolarHBondContact O-CB 3.4Å; L198-C202 PolarHBondContact O-N 3.14Å; L198-C202 VanDerWaalsContact O-N 3.12Å; L198-Y417 HydrophobicContact CD2-CD1 3.71Å; L198-Y417 HydrophobicContact CG-CD1 4.14Å
199G90.2Very high88.4Confident12 Ų1230.6 Ų30.612%0.12417%0.165CC..Hα-helixtrans-62.9-41174.700000112.9L195 I196 I197 C202L195-G199 PolarHBondContact O-N 2.8Å; I196-G199 PolarHBondContact O-N 3.07Å; I197-G199 VanDerWaalsContact C-N 3.32Å; I197-G199 PolarHBondContact O-N 3.3Å; G199-C202 WeakPolarHBondContact O-CB 3.4Å
200L90.7Very high88.2Confident61 Ų6131.7 Ų31.732%0.31917%0.171SC..Hα-helixtrans-69.5-49.6177.6-72.1170.4000112.2I196 I197 C202 H203 I241 W244I196-L200 HydrophobicContact CG2-CD1 4.24Å; I196-L200 WeakPolarHBondContact O-CG 3.43Å; I196-L200 PolarHBondContact O-N 3.13Å; I197-L200 PolarHBondContact O-N 3.4Å; L200-C202 PolarHBondContact O-N 3.06Å; L200-C202 VanDerWaalsContact O-N 3.12Å; L200-H203 PolarHBondContact O-N 2.99Å; L200-I241 HydrophobicContact CB-CG2 3.92Å; L200-W244 HydrophobicContact CD1-CE3 4.06Å; L200-W244 HydrophobicContact CD1-CH2 4.36Å; L200-W244 HydrophobicContact CD1-CZ3 3.53Å
201V91.6Very high87.9Confident12 Ų1235.4 Ų35.47%0.07319%0.185CC..Hα-helixtrans-61.4-21178.4169.90000112.4I197 H203 V245 Y418I197-V201 HydrophobicContact CG2-CG2 4.18Å; I197-V201 WeakPolarHBondContact O-CB 3.34Å; I197-V201 VanDerWaalsContact O-CG2 3.3Å; I197-V201 WeakPolarHBondContact O-CG2 3.49Å; I197-V201 PolarHBondContact O-N 3.43Å; V201-H203 PolarHBondContact O-CD2 3.22Å; V201-H203 PolarHBondContact O-N 3.28Å; V201-V245 HydrophobicContact CG2-CB 4.39Å; V201-V245 HydrophobicContact CG2-CG1 3.95Å; V201-V245 HydrophobicContact CG2-CG2 3.89Å; V201-Y418 HydrophobicContact CB-CE1 4.38Å; V201-Y418 HydrophobicContact CB-CE2 4.48Å; V201-Y418 HydrophobicContact CG1-CD1 3.45Å; V201-Y418 VanDerWaalsContact CG1-CD1 3.45Å; V201-Y418 HydrophobicContact CG1-CD2 3.78Å; V201-Y418 HydrophobicContact CG1-CE1 3.58Å; V201-Y418 HydrophobicContact CG1-CE2 3.92Å; V201-Y418 HydrophobicContact CG1-CG 3.56Å; V201-Y418 HydrophobicContact CG2-CD2 4.27Å; V201-Y418 HydrophobicContact CG2-CE1 4.15Å; V201-Y418 HydrophobicContact CG2-CE2 3.66Å
202C90.5Very high87.7Confident3 Ų336.5 Ų36.52%0.0219%0.188CC..THydrogen-bonded Turntrans-63.8-27.6173.7-157.80000112.6M168 I171 R175 L198 G199 L200 E204 F207M168-C202 HydrophobicContact CE-CB 3.98Å; I171-C202 VanDerWaalsContact CG2-SG 3.52Å; R175-C202 PolarHBondContact NH1-O 3.27Å; R175-C202 PolarHBondContact NH2-O 2.99Å; R175-C202 VanDerWaalsContact NH2-O 3.17Å; L198-C202 WeakPolarHBondContact O-CB 3.4Å; L198-C202 PolarHBondContact O-N 3.14Å; L198-C202 VanDerWaalsContact O-N 3.12Å; G199-C202 WeakPolarHBondContact O-CB 3.4Å; L200-C202 PolarHBondContact O-N 3.06Å; L200-C202 VanDerWaalsContact O-N 3.12Å; C202-E204 HydrophobicContact CB-CB 4.46Å; C202-E204 HydrophobicContact CB-CG 4.45Å; C202-E204 PolarHBondContact O-N 3.46Å; C202-E204 VanDerWaalsContact O-N 3.12Å; C202-E204 WeakPolarHBondContact SG-CG 3.38Å; C202-F207 HydrophobicContact CB-CD2 4.22Å; C202-F207 HydrophobicContact CB-CE2 4.28Å
203H91Very high86.9Confident34 Ų3440.8 Ų40.816%0.15721%0.206CC..THydrogen-bonded Turntrans51.627.8-172.4-63.3-59.3000113.7L200 V201 E238 D242L200-H203 PolarHBondContact O-N 2.99Å; V201-H203 PolarHBondContact O-CD2 3.22Å; V201-H203 PolarHBondContact O-N 3.28Å; H203-E238 HydrophobicContact CB-CG 4.29Å; H203-E238 VanDerWaalsContact CE1-CA 3.49Å; H203-E238 WeakPolarHBondContact CE1-CA 3.45Å; H203-E238 PolarHBondContact CE1-O 2.75Å; H203-E238 VanDerWaalsContact CE1-O 3.22Å; H203-D242 IonicContact CD2-OD1 2.78Å; H203-D242 IonicContact CE1-OD1 3.98Å; H203-D242 PolarHBondContact CE1-OD1 3.04Å; H203-D242 VanDerWaalsContact CE1-OD1 3.28Å; H203-D242 IonicContact NE2-OD1 2.74Å; H203-D242 PolarHBondContact NE2-OD1 3.09Å; H203-D242 IonicContact NE2-OD2 3.68Å
204E91.2Very high86.2Confident19 Ų1944.4 Ų44.49%0.08923%0.227CC..  trans-86.4124.4176.6-81.3-61.7137.300110.2R175 Y180 H186 C202 Y206 F207R175-E204 WeakPolarHBondContact CD-OE1 3.44Å; R175-E204 IonicContact CZ-OE1 2.75Å; R175-E204 IonicContact NE-OE1 3.08Å; R175-E204 PolarHBondContact NE-OE1 3.13Å; R175-E204 IonicContact NH2-OE1 3.77Å; Y180-E204 PolarHBondContact OH-OE1 2.92Å; Y180-E204 PolarHBondContact OH-OE2 3.15Å; H186-E204 IonicContact NE2-OE2 3.09Å; C202-E204 HydrophobicContact CB-CB 4.46Å; C202-E204 HydrophobicContact CB-CG 4.45Å; C202-E204 PolarHBondContact O-N 3.46Å; C202-E204 VanDerWaalsContact O-N 3.12Å; C202-E204 WeakPolarHBondContact SG-CG 3.38Å; E204-Y206 PolarHBondContact O-N 3.36Å; E204-Y206 VanDerWaalsContact O-N 3.16Å; E204-F207 HydrophobicContact CB-CB 4.21Å; E204-F207 HydrophobicContact CB-CD2 4.21Å
205P88.1Confident84.7Confident89 Ų8948 Ų4858%0.57826%0.258SS*.THydrogen-bonded Turntrans-65.5-23.7-17425.3-34.7000113.2S182S182-P205 WeakPolarHBondContact O-CG 3.31Å
206Y91Very high83Confident102 Ų10252.1 Ų52.140%0.428%0.275SS..THydrogen-bonded Turntrans-121.358.2-179.1-54.5-71.8000111.8A183 R185 H186 E204A183-Y206 HydrophobicContact CB-CE2 4.38Å; R185-Y206 HydrophobicContact CG-CG 4.19Å; H186-Y206 PolarHBondContact N-O 2.68Å; E204-Y206 PolarHBondContact O-N 3.36Å; E204-Y206 VanDerWaalsContact O-N 3.16Å
207F92Very high81.3Confident36 Ų3662.3 Ų62.316%0.15831%0.312CS..EExtended strand (participates in β ladder)trans-104.2125.6174.7-157.3-76.8000110.7I171 H186 L188 C202 E204 L209I171-F207 HydrophobicContact CD1-CE2 3.82Å; I171-F207 HydrophobicContact CD1-CZ 4.42Å; H186-F207 HydrophobicContact CB-CD2 3.81Å; H186-F207 HydrophobicContact CB-CE2 4.19Å; H186-F207 HydrophobicContact CB-CG 4.33Å; L188-F207 HydrophobicContact CB-CE1 3.89Å; L188-F207 HydrophobicContact CB-CZ 3.93Å; L188-F207 HydrophobicContact CD2-CE1 3.99Å; L188-F207 HydrophobicContact CD2-CZ 3.74Å; C202-F207 HydrophobicContact CB-CD2 4.22Å; C202-F207 HydrophobicContact CB-CE2 4.28Å; E204-F207 HydrophobicContact CB-CB 4.21Å; E204-F207 HydrophobicContact CB-CD2 4.21Å; F207-L209 HydrophobicContact CD1-CD2 4.48Å; F207-L209 HydrophobicContact CE1-CD2 3.81Å; F207-L209 HydrophobicContact CE1-CG 4.5Å
208S90.5Very high79.3Confident42 Ų4268.4 Ų68.429%0.29435%0.352SS..EExtended strand (participates in β ladder)trans-125.2137.1179.2-610000110.9H186 C187 L188H186-S208 PolarHBondContact O-N 3.25Å; C187-S208 CarbonylContact C-O 3.59Å; C187-S208 WeakPolarHBondContact CA-O 3.48Å; L188-S208 PolarHBondContact N-O 3.2Å
209L89.8Confident77.3Confident56 Ų5673.6 Ų73.629%0.29337%0.374SS..EExtended strand (participates in β ladder)trans-97.4123.6171.3-65.7177.8000109.8L188 L195 I196 F207 R211L188-L209 HydrophobicContact CB-CD2 3.93Å; L188-L209 HydrophobicContact CD2-CD2 3.94Å; L188-L209 HydrophobicContact CG-CD2 3.94Å; L188-L209 CarbonylContact O-C 3.59Å; L188-L209 WeakPolarHBondContact O-CA 3.39Å; L195-L209 HydrophobicContact CB-CD1 4.41Å; L195-L209 HydrophobicContact CB-CD2 3.92Å; I196-L209 HydrophobicContact CB-CD1 4.21Å; I196-L209 HydrophobicContact CG1-CD1 3.6Å; F207-L209 HydrophobicContact CD1-CD2 4.48Å; F207-L209 HydrophobicContact CE1-CD2 3.81Å; F207-L209 HydrophobicContact CE1-CG 4.5Å; L209-R211 HydrophobicContact CB-CG 4.28Å
210L88.6Confident75.2Confident26 Ų2684.4 Ų84.414%0.13641%0.412CS..EExtended strand (participates in β ladder)trans-94.3119170.9-178.863.8000109L22 L74 V78 L188 Y189 G190L22-L210 HydrophobicContact CD1-CD1 4Å; L74-L210 HydrophobicContact CD2-CD2 3.91Å; V78-L210 HydrophobicContact CG2-CD2 3.72Å; L188-L210 PolarHBondContact O-N 3.09Å; Y189-L210 WeakPolarHBondContact CA-O 3.25Å; Y189-L210 HydrophobicContact CD2-CB 4.22Å; Y189-L210 HydrophobicContact CD2-CD2 3.93Å; Y189-L210 HydrophobicContact CD2-CG 3.88Å; Y189-L210 WeakPolarHBondContact CD2-O 3.36Å; G190-L210 PolarHBondContact N-O 2.92Å
211R83.2Confident73Confident80 Ų8090.4 Ų90.430%0.30244%0.435SS..  trans-135.2151.2-177.1-50.9-173.371-162.21.4109.4G190 L191 L209G190-R211 WeakPolarHBondContact O-CG 2.93Å; L191-R211 HydrophobicContact CD2-CB 4.38Å; L191-R211 PolarHBondContact O-NH2 2.96Å; L209-R211 HydrophobicContact CB-CG 4.28Å
212E77.7Confident70.9Confident81 Ų8191.4 Ų91.438%0.37944%0.44SS..  trans-68.1145172.2-64.3-179161.500110.3Y70 L191 V214Y70-E212 PolarHBondContact OH-OE1 3.11Å; L191-E212 HydrophobicContact CD2-CB 3.99Å; L191-E212 HydrophobicContact CD2-CG 4.15Å; E212-V214 PolarHBondContact O-N 3.25Å
213E66Low68.5Low160 Ų16095 Ų9575%0.74846%0.463SS*.  trans-70.8117.4175.6-173.8177.7-176.300109.6
214V59.9Low66.2Low87 Ų8796.7 Ų96.753%0.52747%0.472SS..  trans-89.9110.5158.6-174.90000105.1E212 Y216E212-V214 PolarHBondContact O-N 3.25Å; V214-Y216 HydrophobicContact CB-CE1 4.04Å; V214-Y216 HydrophobicContact CB-CE2 3.84Å; V214-Y216 HydrophobicContact CG1-CD1 4.33Å; V214-Y216 HydrophobicContact CG1-CE1 3.73Å; V214-Y216 HydrophobicContact CG1-CE2 4.44Å; V214-Y216 WeakPolarHBondContact O-CD2 2.78Å; V214-Y216 WeakPolarHBondContact O-CE2 3.21Å; V214-Y216 PolarHBondContact O-N 3Å
215A52.8Low63.8Low89 Ų89105 Ų10574%0.73650%0.503SS*.  trans-59.298.5179.700000110
216Y53Low61.7Low87 Ų87105.8 Ų105.834%0.34150%0.495SS..  trans-88.1133.6174-60.1-67.4000108.4R8 V214 P218R8-Y216 HydrophobicContact CB-CE1 3.95Å; R8-Y216 HydrophobicContact CG-CD1 3.85Å; R8-Y216 HydrophobicContact CG-CE1 3.66Å; R8-Y216 HydrophobicContact CG-CG 4.43Å; V214-Y216 HydrophobicContact CB-CE1 4.04Å; V214-Y216 HydrophobicContact CB-CE2 3.84Å; V214-Y216 HydrophobicContact CG1-CD1 4.33Å; V214-Y216 HydrophobicContact CG1-CE1 3.73Å; V214-Y216 HydrophobicContact CG1-CE2 4.44Å; V214-Y216 WeakPolarHBondContact O-CD2 2.78Å; V214-Y216 WeakPolarHBondContact O-CE2 3.21Å; V214-Y216 PolarHBondContact O-N 3Å; Y216-P218 VanDerWaalsContact O-CD 3.25Å; Y216-P218 WeakPolarHBondContact O-CD 3.29Å; Y216-P218 VanDerWaalsContact O-N 3.15Å
217R49.9Very low59.5Low230 Ų230107.2 Ų107.287%0.86850%0.504SS*.  trans-60.7118.7169.1-75.5-176.3179.6175.80.6107.8K219R217-K219 PolarHBondContact O-N 2.94Å
218P46.9Very low57.4Low131 Ų131109 Ų10985%0.85152%0.517SS*.  trans-65.4113.1178.923.9-30.5000109.2Y216Y216-P218 VanDerWaalsContact O-CD 3.25Å; Y216-P218 WeakPolarHBondContact O-CD 3.29Å; Y216-P218 VanDerWaalsContact O-N 3.15Å
219K49Very low55.4Low108 Ų108113.5 Ų113.547%0.4753%0.534SS..PPolyproline II helixtrans-81.8159.9162.2-76.9-170.9176.1-1740109R217 E355R217-K219 PolarHBondContact O-N 2.94Å; K219-E355 IonicContact NZ-OE1 3.11Å; K219-E355 PolarHBondContact NZ-OE1 3.47Å; K219-E355 IonicContact NZ-OE2 2.63Å; K219-E355 PolarHBondContact NZ-OE2 3.47Å
220R46.4Very low53.8Low240 Ų240116 Ų11691%0.90655%0.547SS*.PPolyproline II helixtrans-55.4138.3-169-149.1172.7127.3143.8-0.2111.9L222R220-L222 PolarHBondContact O-N 3.37Å
221K44.3Very low52.3Low187 Ų187121.3 Ų121.381%0.81357%0.567SS**PPolyproline II helixtrans-51.5124174.5-71.3-176.7177.3-177.80110.6
222L47.4Very low51.1Low33 Ų33121.5 Ų121.517%0.17358%0.578CS.*PPolyproline II helixtrans-82.4144.3169.6-67.1167.6000110.2R13 R220 I224 P358 Y359R13-L222 HydrophobicContact CG-CD1 4.42Å; R220-L222 PolarHBondContact O-N 3.37Å; L222-I224 PolarHBondContact O-N 3.3Å; L222-P358 HydrophobicContact CD1-CB 3.55Å; L222-P358 VanDerWaalsContact CD1-O 3.22Å; L222-P358 WeakPolarHBondContact CD1-O 3.5Å; L222-P358 HydrophobicContact CD2-CB 3.9Å; L222-P358 HydrophobicContact CG-CB 4.06Å; L222-Y359 HydrophobicContact CD2-CD2 4.17Å
223P40.8Very low50.7Low77 Ų77125.5 Ų125.550%0.560%0.602SS.*PPolyproline II helixtrans-67.4132.3168.525.7-28000110.1Y359P223-Y359 VanDerWaalsContact CD-CE2 3.47Å; P223-Y359 HydrophobicContact CG-CD2 4.1Å; P223-Y359 HydrophobicContact CG-CE2 3.21Å
224I41.4Very low51.1Low70 Ų70123.3 Ų123.336%0.35960%0.595SS.*PPolyproline II helixtrans-85.3123.7179.5-55169000107.7Y14 L222 Y226Y14-I224 HydrophobicContact CE1-CG2 4.49Å; L222-I224 PolarHBondContact O-N 3.3Å; I224-Y226 HydrophobicContact CB-CE2 4.31Å; I224-Y226 HydrophobicContact CG2-CD1 4.22Å; I224-Y226 HydrophobicContact CG2-CD2 3.76Å; I224-Y226 HydrophobicContact CG2-CE1 3.92Å; I224-Y226 HydrophobicContact CG2-CE2 3.41Å; I224-Y226 VanDerWaalsContact CG2-CE2 3.41Å; I224-Y226 HydrophobicContact CG2-CG 4.16Å
225R40.6Very low52.2Low194 Ų194121.4 Ų121.473%0.73258%0.58SS**  trans-112.9119.8158.9-102-174.8175.6-169.5-4.3107.4
226Y44Very low54Low106 Ų106120.9 Ų120.942%0.41657%0.565SS.*  trans-86.2109.9172.9-63.4-85.1000108.1I224 V228 E229I224-Y226 HydrophobicContact CB-CE2 4.31Å; I224-Y226 HydrophobicContact CG2-CD1 4.22Å; I224-Y226 HydrophobicContact CG2-CD2 3.76Å; I224-Y226 HydrophobicContact CG2-CE1 3.92Å; I224-Y226 HydrophobicContact CG2-CE2 3.41Å; I224-Y226 VanDerWaalsContact CG2-CE2 3.41Å; I224-Y226 HydrophobicContact CG2-CG 4.16Å; Y226-V228 PolarHBondContact O-N 3Å; Y226-E229 HydrophobicContact CD2-CG 4.15Å; Y226-E229 VanDerWaalsContact CD2-OE1 3.23Å; Y226-E229 WeakPolarHBondContact CD2-OE1 3.37Å; Y226-E229 WeakPolarHBondContact CD2-OE2 3.21Å; Y226-E229 HydrophobicContact CG-CG 3.97Å; Y226-E229 PolarHBondContact O-N 2.82Å
227F45Very low55.6Low131 Ų131121.7 Ų121.758%0.57557%0.574SS**THydrogen-bonded Turntrans-61.8-26.2170.5-79.3-83.8000112
228V48.7Very low57.6Low74 Ų74115.7 Ų115.745%0.44856%0.556SS.*THydrogen-bonded Turntrans-74.6-30.9-179.8-174.80000112.2Y226 D230 Y231Y226-V228 PolarHBondContact O-N 3Å; V228-D230 PolarHBondContact O-N 2.95Å; V228-Y231 CarbonylContact O-C 3.53Å; V228-Y231 PolarHBondContact O-N 2.99Å
229E48.7Very low59.8Low136 Ų136110.9 Ų110.964%0.63653%0.525SS*.THydrogen-bonded Turntrans-65.6-29.8179.9-77-179.3172.700112.2Y226 Y231Y226-E229 HydrophobicContact CD2-CG 4.15Å; Y226-E229 VanDerWaalsContact CD2-OE1 3.23Å; Y226-E229 WeakPolarHBondContact CD2-OE1 3.37Å; Y226-E229 WeakPolarHBondContact CD2-OE2 3.21Å; Y226-E229 HydrophobicContact CG-CG 3.97Å; Y226-E229 PolarHBondContact O-N 2.82Å; E229-Y231 VanDerWaalsContact C-N 3.32Å; E229-Y231 PolarHBondContact O-N 3.31Å
230D54.8Low61.9Low109 Ų109107.2 Ų107.258%0.58351%0.511SS*.THydrogen-bonded Turntrans-74.1-23.4179.6-67.3-28.7000112.2V228V228-D230 PolarHBondContact O-N 2.95Å
231Y58.3Low64Low138 Ų13897.6 Ų97.654%0.54148%0.477SS..  trans-146.756-172.2-57.3-77.7000114.9V228 E229 N233 L234V228-Y231 CarbonylContact O-C 3.53Å; V228-Y231 PolarHBondContact O-N 2.99Å; E229-Y231 VanDerWaalsContact C-N 3.32Å; E229-Y231 PolarHBondContact O-N 3.31Å; Y231-N233 PolarHBondContact O-N 3.48Å; Y231-N233 VanDerWaalsContact O-N 3.1Å; Y231-L234 PolarHBondContact O-N 2.94Å; Y231-L234 VanDerWaalsContact O-N 3.15Å
232P57.1Low66.4Low83 Ų8389 Ų8954%0.53944%0.44SS..THydrogen-bonded Turntrans-63.2-23.7-172.325.3-35.5000114.6
233N69.7Low68.7Low165 Ų16587.5 Ų87.588%0.88243%0.432SS*.THydrogen-bonded Turntrans-98.4-0.8-177.6-62-29.4000113.6Y231Y231-N233 PolarHBondContact O-N 3.48Å; Y231-N233 VanDerWaalsContact O-N 3.1Å
234L74.9Confident71.1Confident115 Ų11585.6 Ų85.660%0.60242%0.415SS*.THydrogen-bonded Turntrans-93.3-24.5-174.4-147.6113.5000112.2Y231Y231-L234 PolarHBondContact O-N 2.94Å; Y231-L234 VanDerWaalsContact O-N 3.15Å
235F83.7Confident73.5Confident47 Ų4782.2 Ų82.221%0.20640%0.398CS..SBendtrans-125.5132.6-177.1-56.7-80.6000110.4M277 F280 Y286F235-M277 HydrophobicContact CE1-SD 4.42Å; F235-M277 HydrophobicContact CZ-SD 4.35Å; F235-F280 AromaticContact CD1-CE1 3.86Å; F235-F280 HydrophobicContact CD1-CE1 3.86Å; F235-F280 HydrophobicContact CD1-CE2 4.39Å; F235-F280 AromaticContact CD1-CZ 3.76Å; F235-F280 HydrophobicContact CD1-CZ 3.76Å; F235-F280 AromaticContact CE1-CD1 3.77Å; F235-F280 HydrophobicContact CE1-CD1 3.77Å; F235-F280 AromaticContact CE1-CE1 3.48Å; F235-F280 HydrophobicContact CE1-CE1 3.48Å; F235-F280 VanDerWaalsContact CE1-CE1 3.48Å; F235-F280 HydrophobicContact CE1-CE2 4.32Å; F235-F280 HydrophobicContact CE1-CG 4.3Å; F235-F280 AromaticContact CE1-CZ 3.78Å; F235-F280 HydrophobicContact CE1-CZ 3.78Å; F235-Y286 WeakPolarHBondContact CA-OH 3.34Å
236D89.4Confident76Confident78 Ų7873 Ų7342%0.41736%0.363SS..  trans-69.8123.4158.7-179.162.6000110.2S239 L240 Y286D236-S239 WeakPolarHBondContact OD2-CB 3.46Å; D236-S239 PolarHBondContact OD2-N 3.49Å; D236-S239 PolarHBondContact OD2-OG 3Å; D236-L240 WeakPolarHBondContact O-CB 3.34Å; D236-L240 PolarHBondContact O-N 3.22Å; D236-Y286 HydrophobicContact CB-CE2 4.19Å; D236-Y286 PolarHBondContact N-OH 2.84Å; D236-Y286 PolarHBondContact O-OH 2.96Å
237L87.3Confident78.2Confident104 Ų10468.3 Ų68.355%0.54535%0.345SS..Hα-helixtrans-69.3-41.5-174177.762.8000112.3L240 I241L237-L240 PolarHBondContact O-N 3.21Å; L237-I241 HydrophobicContact CD1-CD1 4.25Å; L237-I241 HydrophobicContact CD1-CG1 4.38Å; L237-I241 HydrophobicContact CG-CD1 4.04Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.3Å; L237-I241 PolarHBondContact O-N 3.25Å
238E91.8Very high80.2Confident103 Ų10362.4 Ų62.448%0.48132%0.32SS..Hα-helixtrans-64.2-47-179.2-64.1-171.416800110.2H203 L240 I241 D242H203-E238 HydrophobicContact CB-CG 4.29Å; H203-E238 VanDerWaalsContact CE1-CA 3.49Å; H203-E238 WeakPolarHBondContact CE1-CA 3.45Å; H203-E238 PolarHBondContact CE1-O 2.75Å; H203-E238 VanDerWaalsContact CE1-O 3.22Å; E238-L240 VanDerWaalsContact C-N 3.31Å; E238-L240 PolarHBondContact O-N 2.8Å; E238-I241 WeakPolarHBondContact O-CB 3.4Å; E238-I241 PolarHBondContact O-N 3.18Å; E238-D242 PolarHBondContact O-N 3.2Å
239S93.8Very high82.1Confident30 Ų3059.3 Ų59.321%0.2130%0.301CS..Hα-helixtrans-65.3-32.9176.5-520000112.8D236 D242 D243 Y286D236-S239 WeakPolarHBondContact OD2-CB 3.46Å; D236-S239 PolarHBondContact OD2-N 3.49Å; D236-S239 PolarHBondContact OD2-OG 3Å; S239-D242 WeakPolarHBondContact O-CB 3.45Å; S239-D242 PolarHBondContact O-N 2.82Å; S239-D243 PolarHBondContact O-N 3.11Å; S239-Y286 VanDerWaalsContact CB-CD1 3.48Å; S239-Y286 WeakPolarHBondContact O-CD1 3.48Å
240L91.5Very high83.9Confident32 Ų3253 Ų5317%0.16827%0.271CS..Hα-helixtrans-69.5-38.7174.9-174.666.5000112D236 L237 E238 D242 W244 Y276 M277 Y286D236-L240 WeakPolarHBondContact O-CB 3.34Å; D236-L240 PolarHBondContact O-N 3.22Å; L237-L240 PolarHBondContact O-N 3.21Å; E238-L240 VanDerWaalsContact C-N 3.31Å; E238-L240 PolarHBondContact O-N 2.8Å; L240-D242 VanDerWaalsContact C-N 3.26Å; L240-W244 VanDerWaalsContact O-CB 3.29Å; L240-W244 WeakPolarHBondContact O-CB 3.11Å; L240-W244 PolarHBondContact O-N 3.4Å; L240-Y276 HydrophobicContact CD1-CE1 4.02Å; L240-M277 HydrophobicContact CD1-CE 4.1Å; L240-Y286 HydrophobicContact CB-CE1 4.22Å
241I91.7Very high85.3Confident38 Ų3848.6 Ų48.620%0.19525%0.248CC..Hα-helixtrans-60.7-42.2171.3-72.6164.7000109.3L200 L237 E238 W244 V245L200-I241 HydrophobicContact CB-CG2 3.92Å; L237-I241 HydrophobicContact CD1-CD1 4.25Å; L237-I241 HydrophobicContact CD1-CG1 4.38Å; L237-I241 HydrophobicContact CG-CD1 4.04Å; L237-I241 VanDerWaalsContact O-CG1 3.32Å; L237-I241 WeakPolarHBondContact O-CG1 3.3Å; L237-I241 PolarHBondContact O-N 3.25Å; E238-I241 WeakPolarHBondContact O-CB 3.4Å; E238-I241 PolarHBondContact O-N 3.18Å; I241-W244 WeakPolarHBondContact O-CB 3.49Å; I241-W244 PolarHBondContact O-N 3.43Å; I241-V245 HydrophobicContact CG2-CG2 4.42Å; I241-V245 WeakPolarHBondContact O-CG2 3.3Å; I241-V245 PolarHBondContact O-N 3.03Å
242D95Very high86.4Confident7 Ų742.7 Ų42.74%0.03723%0.229CC..Hα-helixtrans-63.3-45.5-179.5-74.2-1.3000112.3H203 E238 S239 L240 W244 V245 F246 N288 A290 Y418H203-D242 IonicContact CD2-OD1 2.78Å; H203-D242 IonicContact CE1-OD1 3.98Å; H203-D242 PolarHBondContact CE1-OD1 3.04Å; H203-D242 VanDerWaalsContact CE1-OD1 3.28Å; H203-D242 IonicContact NE2-OD1 2.74Å; H203-D242 PolarHBondContact NE2-OD1 3.09Å; H203-D242 IonicContact NE2-OD2 3.68Å; E238-D242 PolarHBondContact O-N 3.2Å; S239-D242 WeakPolarHBondContact O-CB 3.45Å; S239-D242 PolarHBondContact O-N 2.82Å; L240-D242 VanDerWaalsContact C-N 3.26Å; D242-W244 VanDerWaalsContact C-N 3.31Å; D242-W244 PolarHBondContact O-N 3.01Å; D242-V245 PolarHBondContact O-N 3.16Å; D242-F246 PolarHBondContact O-N 3.08Å; D242-N288 HydrophobicContact CB-CB 4.29Å; D242-N288 PolarHBondContact O-ND2 2.94Å; D242-A290 VanDerWaalsContact OD2-CA 3.31Å; D242-A290 WeakPolarHBondContact OD2-CA 3.47Å; D242-A290 PolarHBondContact OD2-N 2.69Å; D242-Y418 WeakPolarHBondContact CA-OH 3.39Å; D242-Y418 HydrophobicContact CB-CE1 4.43Å; D242-Y418 WeakPolarHBondContact CB-OH 3.45Å; D242-Y418 VanDerWaalsContact CG-OH 3.26Å; D242-Y418 WeakPolarHBondContact OD1-CE1 3.4Å; D242-Y418 PolarHBondContact OD1-OH 3.3Å
243D94.9Very high87.6Confident0 Ų040.1 Ų40.10%021%0.211CC..Hα-helixtrans-64.6-37.3174.2-83.11.6000112S239 F246 M247 Y276 Y286 V287 N288S239-D243 PolarHBondContact O-N 3.11Å; D243-F246 WeakPolarHBondContact O-CB 3.26Å; D243-F246 PolarHBondContact O-N 2.71Å; D243-M247 WeakPolarHBondContact O-CG 2.99Å; D243-M247 PolarHBondContact O-N 2.75Å; D243-Y276 HydrophobicContact CB-CE2 3.83Å; D243-Y276 WeakPolarHBondContact OD2-CE2 3.4Å; D243-Y276 PolarHBondContact OD2-OH 2.9Å; D243-Y286 VanDerWaalsContact OD2-CA 3.24Å; D243-Y286 WeakPolarHBondContact OD2-CA 3.33Å; D243-Y286 WeakPolarHBondContact OD2-CB 3.48Å; D243-Y286 WeakPolarHBondContact OD2-CD1 3.24Å; D243-V287 VanDerWaalsContact CG-N 3.33Å; D243-V287 WeakPolarHBondContact OD1-CA 3.38Å; D243-V287 PolarHBondContact OD1-N 2.97Å; D243-V287 PolarHBondContact OD2-N 3.3Å; D243-N288 WeakPolarHBondContact OD1-CB 3.45Å; D243-N288 PolarHBondContact OD1-N 3.26Å
244W91.4Very high88.1Confident37 Ų3734.4 Ų34.414%0.1418%0.18CC..Hα-helixtrans-63.5-44.1174.6-178.186.7000111.8F6 I197 L200 L240 I241 D242 F246 M247 V248F6-W244 HydrophobicContact CD1-CH2 4.23Å; F6-W244 HydrophobicContact CD2-CZ2 4.4Å; F6-W244 AromaticContact CE1-CH2 3.35Å; F6-W244 HydrophobicContact CE1-CH2 3.35Å; F6-W244 AromaticContact CE1-CZ2 3.86Å; F6-W244 HydrophobicContact CE1-CZ2 3.86Å; F6-W244 HydrophobicContact CE1-CZ3 4.43Å; F6-W244 AromaticContact CE2-CH2 3.88Å; F6-W244 HydrophobicContact CE2-CH2 3.88Å; F6-W244 AromaticContact CE2-CZ2 3.47Å; F6-W244 HydrophobicContact CE2-CZ2 3.47Å; F6-W244 VanDerWaalsContact CE2-CZ2 3.47Å; F6-W244 AromaticContact CZ-CH2 3.15Å; F6-W244 HydrophobicContact CZ-CH2 3.15Å; F6-W244 AromaticContact CZ-CZ2 3.14Å; F6-W244 HydrophobicContact CZ-CZ2 3.14Å; F6-W244 HydrophobicContact CZ-CZ3 4.39Å; I197-W244 HydrophobicContact CD1-CH2 4.19Å; I197-W244 HydrophobicContact CD1-CZ3 3.78Å; L200-W244 HydrophobicContact CD1-CE3 4.06Å; L200-W244 HydrophobicContact CD1-CH2 4.36Å; L200-W244 HydrophobicContact CD1-CZ3 3.53Å; L240-W244 VanDerWaalsContact O-CB 3.29Å; L240-W244 WeakPolarHBondContact O-CB 3.11Å; L240-W244 PolarHBondContact O-N 3.4Å; I241-W244 WeakPolarHBondContact O-CB 3.49Å; I241-W244 PolarHBondContact O-N 3.43Å; D242-W244 VanDerWaalsContact C-N 3.31Å; D242-W244 PolarHBondContact O-N 3.01Å; W244-F246 VanDerWaalsContact C-N 3.3Å; W244-F246 PolarHBondContact O-N 2.66Å; W244-M247 HydrophobicContact CB-CE 4.29Å; W244-M247 WeakPolarHBondContact O-CB 3.47Å; W244-M247 PolarHBondContact O-N 3.26Å; W244-V248 HydrophobicContact CD2-CG2 4.13Å; W244-V248 HydrophobicContact CE3-CG2 4.08Å; W244-V248 HydrophobicContact CH2-CG2 3.39Å; W244-V248 HydrophobicContact CZ2-CG2 3.44Å; W244-V248 VanDerWaalsContact CZ2-CG2 3.44Å; W244-V248 HydrophobicContact CZ3-CG2 3.73Å; W244-V248 WeakPolarHBondContact O-CG2 3.5Å; W244-V248 PolarHBondContact O-N 3.48Å
245V91.6Very high88.5Confident0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-58.9-44.1174.31660000110.6I197 V201 I241 D242 M247 V248 C249 Y418I197-V245 HydrophobicContact CG2-CG1 3.59Å; I197-V245 HydrophobicContact CG2-CG2 4.18Å; V201-V245 HydrophobicContact CG2-CB 4.39Å; V201-V245 HydrophobicContact CG2-CG1 3.95Å; V201-V245 HydrophobicContact CG2-CG2 3.89Å; I241-V245 HydrophobicContact CG2-CG2 4.42Å; I241-V245 WeakPolarHBondContact O-CG2 3.3Å; I241-V245 PolarHBondContact O-N 3.03Å; D242-V245 PolarHBondContact O-N 3.16Å; V245-M247 PolarHBondContact O-N 2.9Å; V245-V248 WeakPolarHBondContact O-CB 3.49Å; V245-V248 PolarHBondContact O-N 3.26Å; V245-V248 VanDerWaalsContact O-N 3.13Å; V245-C249 PolarHBondContact O-N 2.68Å; V245-C249 PolarHBondContact O-SG 2.84Å; V245-C249 VanDerWaalsContact O-SG 3.34Å; V245-Y418 HydrophobicContact CG1-CE2 4.18Å
246F92.8Very high88.7Confident1 Ų127.9 Ų27.90%0.00415%0.148CC..Hα-helixtrans-58.3-45.3175.3169.9-106.2000112.1D242 D243 W244 V248 C249 L250 V287 N288 L293 L298 L301 F302 L410 L414D242-F246 PolarHBondContact O-N 3.08Å; D243-F246 WeakPolarHBondContact O-CB 3.26Å; D243-F246 PolarHBondContact O-N 2.71Å; W244-F246 VanDerWaalsContact C-N 3.3Å; W244-F246 PolarHBondContact O-N 2.66Å; F246-V248 VanDerWaalsContact C-N 3.28Å; F246-V248 PolarHBondContact O-N 3.18Å; F246-C249 VanDerWaalsContact O-CB 3.32Å; F246-C249 WeakPolarHBondContact O-CB 3.41Å; F246-C249 PolarHBondContact O-N 2.81Å; F246-L250 HydrophobicContact CE1-CD1 4.04Å; F246-L250 HydrophobicContact CE1-CD2 4.32Å; F246-L250 HydrophobicContact CE1-CG 4.31Å; F246-L250 HydrophobicContact CE2-CD2 4.06Å; F246-L250 HydrophobicContact CZ-CD1 4.25Å; F246-L250 HydrophobicContact CZ-CD2 3.7Å; F246-L250 HydrophobicContact CZ-CG 4.15Å; F246-L250 PolarHBondContact O-N 3.29Å; F246-V287 HydrophobicContact CD1-CG1 4.06Å; F246-V287 HydrophobicContact CE1-CG1 3.96Å; F246-N288 HydrophobicContact CB-CB 4.13Å; F246-L293 HydrophobicContact CD2-CD2 3.75Å; F246-L293 HydrophobicContact CE2-CD2 3.72Å; F246-L293 HydrophobicContact CG-CD2 4.36Å; F246-L293 HydrophobicContact CZ-CD2 4.32Å; F246-L298 HydrophobicContact CE1-CD1 3.58Å; F246-L298 HydrophobicContact CE2-CD1 4.38Å; F246-L298 HydrophobicContact CZ-CD1 3.33Å; F246-L298 HydrophobicContact CZ-CD2 4.49Å; F246-L301 HydrophobicContact CE1-CD2 4.13Å; F246-F302 HydrophobicContact CE1-CE1 4.5Å; F246-F302 HydrophobicContact CZ-CE1 4.1Å; F246-F302 HydrophobicContact CZ-CZ 4.29Å; F246-L410 HydrophobicContact CE2-CB 4.5Å; F246-L410 HydrophobicContact CE2-CD1 4.42Å; F246-L410 HydrophobicContact CE2-CD2 4.44Å; F246-L414 HydrophobicContact CB-CD2 4.39Å; F246-L414 HydrophobicContact CD2-CD1 4.09Å; F246-L414 HydrophobicContact CD2-CD2 4.43Å
247M90.9Very high88.5Confident7 Ų725.7 Ų25.73%0.03414%0.138CC..Hα-helixtrans-60.7-35.7175.5-71-173.2-72.900112.6D243 W244 V245 L250 L272 Y276D243-M247 WeakPolarHBondContact O-CG 2.99Å; D243-M247 PolarHBondContact O-N 2.75Å; W244-M247 HydrophobicContact CB-CE 4.29Å; W244-M247 WeakPolarHBondContact O-CB 3.47Å; W244-M247 PolarHBondContact O-N 3.26Å; V245-M247 PolarHBondContact O-N 2.9Å; M247-L250 WeakPolarHBondContact O-CB 3.37Å; M247-L250 PolarHBondContact O-N 3.29Å; M247-L272 HydrophobicContact CB-CB 4.48Å; M247-L272 HydrophobicContact CB-CD1 4.38Å; M247-L272 HydrophobicContact SD-CB 4.02Å; M247-Y276 HydrophobicContact CE-CG 4.31Å; M247-Y276 HydrophobicContact SD-CD2 4.4Å; M247-Y276 HydrophobicContact SD-CG 4.13Å
248V86.9Confident88.2Confident7 Ų721.6 Ų21.64%0.04212%0.116CC..Hα-helixtrans-65.6-39172.9-179.70000111.4I3 I197 W244 V245 F246 L250 L251 L269I3-V248 HydrophobicContact CD1-CG1 4.3Å; I3-V248 HydrophobicContact CG1-CG1 4.03Å; I197-V248 HydrophobicContact CD1-CB 4.41Å; I197-V248 HydrophobicContact CD1-CG1 4.16Å; W244-V248 HydrophobicContact CD2-CG2 4.13Å; W244-V248 HydrophobicContact CE3-CG2 4.08Å; W244-V248 HydrophobicContact CH2-CG2 3.39Å; W244-V248 HydrophobicContact CZ2-CG2 3.44Å; W244-V248 VanDerWaalsContact CZ2-CG2 3.44Å; W244-V248 HydrophobicContact CZ3-CG2 3.73Å; W244-V248 WeakPolarHBondContact O-CG2 3.5Å; W244-V248 PolarHBondContact O-N 3.48Å; V245-V248 WeakPolarHBondContact O-CB 3.49Å; V245-V248 PolarHBondContact O-N 3.26Å; V245-V248 VanDerWaalsContact O-N 3.13Å; F246-V248 VanDerWaalsContact C-N 3.28Å; F246-V248 PolarHBondContact O-N 3.18Å; V248-L250 PolarHBondContact O-N 3.46Å; V248-L251 WeakPolarHBondContact O-CB 3.42Å; V248-L251 PolarHBondContact O-N 2.73Å; V248-L269 HydrophobicContact CG2-CD2 3.99Å
249C87.6Confident87.8Confident8 Ų817.1 Ų17.15%0.05410%0.095CC..Hα-helixtrans-60.1-29.7176.6-65.20000113.1V245 F246 L251 G252V245-C249 PolarHBondContact O-N 2.68Å; V245-C249 PolarHBondContact O-SG 2.84Å; V245-C249 VanDerWaalsContact O-SG 3.34Å; F246-C249 VanDerWaalsContact O-CB 3.32Å; F246-C249 WeakPolarHBondContact O-CB 3.41Å; F246-C249 PolarHBondContact O-N 2.81Å; C249-L251 PolarHBondContact O-N 2.95Å; C249-G252 PolarHBondContact O-N 3.27Å; C249-G252 VanDerWaalsContact O-N 3.15Å
250L87.8Confident87.1Confident3 Ų316.1 Ų16.12%0.0169%0.088CC..THydrogen-bonded Turntrans-63.9-23.8175.8-62.7-178.7000113.3F246 M247 V248 G252 L259 L262 F302 L305 L410F246-L250 HydrophobicContact CE1-CD1 4.04Å; F246-L250 HydrophobicContact CE1-CD2 4.32Å; F246-L250 HydrophobicContact CE1-CG 4.31Å; F246-L250 HydrophobicContact CE2-CD2 4.06Å; F246-L250 HydrophobicContact CZ-CD1 4.25Å; F246-L250 HydrophobicContact CZ-CD2 3.7Å; F246-L250 HydrophobicContact CZ-CG 4.15Å; F246-L250 PolarHBondContact O-N 3.29Å; M247-L250 WeakPolarHBondContact O-CB 3.37Å; M247-L250 PolarHBondContact O-N 3.29Å; V248-L250 PolarHBondContact O-N 3.46Å; L250-G252 PolarHBondContact O-N 2.68Å; L250-L259 HydrophobicContact CB-CD1 3.99Å; L250-L259 HydrophobicContact CD2-CD1 3.84Å; L250-L259 HydrophobicContact CG-CD1 4.4Å; L250-L259 PolarHBondContact O-N 3.13Å; L250-L262 HydrophobicContact CB-CD1 4.14Å; L250-F302 HydrophobicContact CD1-CE1 4.24Å; L250-F302 HydrophobicContact CD2-CE1 4Å; L250-F302 HydrophobicContact CD2-CZ 4.03Å; L250-L305 HydrophobicContact CD1-CD1 3.93Å; L250-L410 HydrophobicContact CD2-CD1 4.41Å; L250-L410 HydrophobicContact CD2-CD2 3.91Å
251L83.5Confident86.3Confident18 Ų1815.9 Ų15.99%0.0949%0.086CC..THydrogen-bonded Turntrans-74.90176.9-56.1-175000113.5V248 C249 H258 L262 V268 L269 L272V248-L251 WeakPolarHBondContact O-CB 3.42Å; V248-L251 PolarHBondContact O-N 2.73Å; C249-L251 PolarHBondContact O-N 2.95Å; L251-H258 WeakPolarHBondContact O-CB 3.27Å; L251-L262 HydrophobicContact CD2-CB 4.06Å; L251-L262 HydrophobicContact CD2-CD1 4.3Å; L251-V268 HydrophobicContact CD1-CG1 3.95Å; L251-V268 HydrophobicContact CD2-CB 4.26Å; L251-V268 HydrophobicContact CD2-CG1 3.57Å; L251-V268 HydrophobicContact CD2-CG2 3.66Å; L251-V268 HydrophobicContact CG-CG1 4.44Å; L251-L269 HydrophobicContact CD1-CD1 4.48Å; L251-L269 HydrophobicContact CD1-CD2 3.61Å; L251-L269 HydrophobicContact CD1-CG 3.83Å; L251-L269 HydrophobicContact CG-CD2 4.47Å; L251-L272 HydrophobicContact CD2-CD1 3.78Å; L251-L272 HydrophobicContact CG-CD1 4.35Å
252G80.3Confident85.3Confident14 Ų1414.1 Ų14.114%0.1448%0.078CC..  trans85.8151-175.900000112.3C249 L250 L256C249-G252 PolarHBondContact O-N 3.27Å; C249-G252 VanDerWaalsContact O-N 3.15Å; L250-G252 PolarHBondContact O-N 2.68Å; G252-L256 WeakPolarHBondContact CA-O 3.48Å
253N82.6Confident83.7Confident28 Ų2815 Ų1515%0.158%0.082CC..  trans-147.5-160.9174.871.8-4.6000110.2F255 L256 N413 Y417N253-F255 WeakPolarHBondContact ND2-CD2 3.27Å; N253-F255 PolarHBondContact O-N 3.37Å; N253-F255 VanDerWaalsContact O-N 3.15Å; N253-F255 PolarHBondContact OD1-N 2.77Å; N253-L256 PolarHBondContact N-O 2.75Å; N253-L256 VanDerWaalsContact O-O 3.07Å; N253-L256 PolarHBondContact OD1-N 3.41Å; N253-L256 VanDerWaalsContact OD1-N 3.09Å; N253-N413 PolarHBondContact ND2-ND2 3.14Å; N253-N413 PolarHBondContact ND2-OD1 3.39Å; N253-Y417 PolarHBondContact ND2-OH 2.64Å
254D81.1Confident81.7Confident46 Ų4618.4 Ų18.425%0.24610%0.102CC..SBendtrans-66.1-15.1-176.2-72.4-0.3000114.3K96 Q99K96-D254 HydrophobicContact CD-CB 3.94Å; K96-D254 WeakPolarHBondContact CE-OD2 3.05Å; K96-D254 IonicContact NZ-OD2 3.54Å; K96-D254 PolarHBondContact NZ-OD2 3.48Å; Q99-D254 VanDerWaalsContact CB-O 3.23Å; Q99-D254 WeakPolarHBondContact CB-O 3.05Å; Q99-D254 HydrophobicContact CG-CB 4.17Å; Q99-D254 PolarHBondContact NE2-OD1 2.88Å; Q99-D254 PolarHBondContact NE2-OD2 2.8Å; Q99-D254 PolarHBondContact OE1-OD2 3.02Å
255F84Confident79.8Confident13 Ų1319.4 Ų19.46%0.05711%0.108CC..SBendtrans-111.7-33.3-174.6-43.8-62.4000113.2A95 K96 N253 W412 N413 Y416A95-F255 HydrophobicContact CB-CB 4.21Å; A95-F255 HydrophobicContact CB-CD1 3.71Å; A95-F255 HydrophobicContact CB-CG 4.32Å; K96-F255 HydrophobicContact CB-CD1 4.41Å; K96-F255 HydrophobicContact CB-CE1 3.78Å; K96-F255 HydrophobicContact CD-CD1 4.37Å; K96-F255 HydrophobicContact CD-CE1 3.42Å; K96-F255 VanDerWaalsContact CD-CE1 3.42Å; K96-F255 HydrophobicContact CD-CZ 3.86Å; K96-F255 HydrophobicContact CG-CE1 4.18Å; N253-F255 WeakPolarHBondContact ND2-CD2 3.27Å; N253-F255 PolarHBondContact O-N 3.37Å; N253-F255 VanDerWaalsContact O-N 3.15Å; N253-F255 PolarHBondContact OD1-N 2.77Å; F255-W412 HydrophobicContact CB-CE3 4.48Å; F255-W412 HydrophobicContact CB-CZ3 4.07Å; F255-W412 HydrophobicContact CD1-CH2 4.06Å; F255-W412 AromaticContact CD1-CZ3 3.73Å; F255-W412 HydrophobicContact CD1-CZ3 3.73Å; F255-W412 AromaticContact CD2-CZ3 3.81Å; F255-W412 HydrophobicContact CD2-CZ3 3.81Å; F255-W412 HydrophobicContact CE1-CH2 4.2Å; F255-W412 HydrophobicContact CE1-CZ3 4.11Å; F255-W412 HydrophobicContact CE2-CZ3 4.23Å; F255-W412 HydrophobicContact CG-CE3 4.38Å; F255-W412 HydrophobicContact CG-CH2 4.35Å; F255-W412 AromaticContact CG-CZ3 3.56Å; F255-W412 HydrophobicContact CG-CZ3 3.56Å; F255-W412 HydrophobicContact CZ-CZ3 4.38Å; F255-N413 WeakPolarHBondContact CD2-OD1 3.3Å; F255-Y416 HydrophobicContact CE1-CE2 4.22Å; F255-Y416 AromaticContact CE2-CD1 3.49Å; F255-Y416 HydrophobicContact CE2-CD1 3.49Å; F255-Y416 VanDerWaalsContact CE2-CD1 3.49Å; F255-Y416 HydrophobicContact CE2-CD2 4.23Å; F255-Y416 AromaticContact CE2-CE1 3.5Å; F255-Y416 HydrophobicContact CE2-CE1 3.5Å; F255-Y416 VanDerWaalsContact CE2-CE1 3.5Å; F255-Y416 HydrophobicContact CE2-CE2 4.22Å; F255-Y416 AromaticContact CE2-CG 3.88Å; F255-Y416 HydrophobicContact CE2-CG 3.88Å; F255-Y416 AromaticContact CE2-CZ 3.89Å; F255-Y416 AromaticContact CZ-CD1 3.82Å; F255-Y416 HydrophobicContact CZ-CD1 3.82Å; F255-Y416 AromaticContact CZ-CD2 3.92Å; F255-Y416 HydrophobicContact CZ-CD2 3.92Å; F255-Y416 AromaticContact CZ-CE1 3.46Å; F255-Y416 HydrophobicContact CZ-CE1 3.46Å; F255-Y416 VanDerWaalsContact CZ-CE1 3.46Å; F255-Y416 AromaticContact CZ-CE2 3.55Å; F255-Y416 HydrophobicContact CZ-CE2 3.55Å; F255-Y416 HydrophobicContact CZ-CG 4.04Å; F255-Y416 AromaticContact CZ-CZ 3.32Å
256L87.1Confident78.1Confident12 Ų1224.1 Ų24.16%0.06313%0.13CC..SBendtrans-120131.8-176.4-62.1177.7000110.3G252 N253 H258 L410 N413 W426 Y428G252-L256 WeakPolarHBondContact CA-O 3.48Å; N253-L256 PolarHBondContact N-O 2.75Å; N253-L256 VanDerWaalsContact O-O 3.07Å; N253-L256 PolarHBondContact OD1-N 3.41Å; N253-L256 VanDerWaalsContact OD1-N 3.09Å; L256-H258 PolarHBondContact O-N 2.66Å; L256-L410 HydrophobicContact CD1-CD2 3.83Å; L256-L410 HydrophobicContact CD1-CG 4.4Å; L256-N413 HydrophobicContact CD1-CB 3.98Å; L256-W426 HydrophobicContact CD2-CH2 4.3Å; L256-Y428 HydrophobicContact CD2-CD2 4.08Å; L256-Y428 HydrophobicContact CD2-CG 3.97Å
257P85.1Confident76.7Confident32 Ų3225.7 Ų25.721%0.20814%0.139CC..PPolyproline II helixtrans-61.1142.3167.226-29.1000108.9Y428P257-Y428 VanDerWaalsContact CD-CD1 3.44Å; P257-Y428 HydrophobicContact CG-CD1 3.9Å; P257-Y428 HydrophobicContact CG-CE1 3.48Å; P257-Y428 VanDerWaalsContact CG-CE1 3.48Å
258H80.9Confident76Confident18 Ų1825.4 Ų25.48%0.08314%0.137CC..PPolyproline II helixtrans-52.4146.1168.865.2-43.6000112L251 L256 H263 S433 N494 K496L251-H258 WeakPolarHBondContact O-CB 3.27Å; L256-H258 PolarHBondContact O-N 2.66Å; H258-H263 VanDerWaalsContact CD2-CB 3.45Å; H258-H263 WeakPolarHBondContact CD2-CB 3.5Å; H258-H263 AromaticContact CD2-CE1 3.93Å; H258-H263 AromaticContact CD2-CG 3.36Å; H258-H263 AromaticContact CD2-ND1 3.04Å; H258-H263 PolarHBondContact CD2-ND1 3.24Å; H258-H263 AromaticContact NE2-CD2 3.99Å; H258-H263 AromaticContact NE2-CE1 3.41Å; H258-H263 PolarHBondContact NE2-CE1 3.47Å; H258-H263 AromaticContact NE2-CG 3.37Å; H258-H263 AromaticContact NE2-ND1 3Å; H258-H263 PolarHBondContact NE2-ND1 2.82Å; H258-S433 PolarHBondContact O-OG 2.7Å; H258-N494 PolarHBondContact CE1-ND2 3.12Å; H258-K496 PolarHBondContact CD2-NZ 2.81Å; H258-K496 WeakPolarHBondContact NE2-CE 3.34Å; H258-K496 PolarHBondContact NE2-NZ 3.11Å
259L83Confident75.5Confident9 Ų925.3 Ų25.35%0.04714%0.136CC..PPolyproline II helixtrans-62.7150.2171.9-68158.9000110.7L250 L262 S433 I436 L439L250-L259 HydrophobicContact CB-CD1 3.99Å; L250-L259 HydrophobicContact CD2-CD1 3.84Å; L250-L259 HydrophobicContact CG-CD1 4.4Å; L250-L259 PolarHBondContact O-N 3.13Å; L259-L262 HydrophobicContact CB-CD1 3.73Å; L259-L262 HydrophobicContact CB-CG 3.99Å; L259-L262 HydrophobicContact CD1-CD1 3.84Å; L259-L262 HydrophobicContact CG-CD1 4.38Å; L259-L262 PolarHBondContact O-N 2.78Å; L259-S433 VanDerWaalsContact CA-OG 3.32Å; L259-S433 WeakPolarHBondContact CA-OG 3.08Å; L259-I436 HydrophobicContact CB-CD1 4.35Å; L259-I436 HydrophobicContact CB-CG1 4.18Å; L259-I436 HydrophobicContact CD1-CD1 3.77Å; L259-I436 HydrophobicContact CD1-CG1 3.71Å; L259-I436 HydrophobicContact CD2-CG1 3.99Å; L259-I436 HydrophobicContact CG-CG1 4.16Å; L259-L439 HydrophobicContact CD2-CD1 3.89Å
260P80.5Confident75Confident9 Ų925.7 Ų25.76%0.05814%0.139CC..THydrogen-bonded Turntrans-52.9146.3175.4-24.937000110.5L262 S433 P434 F435P260-L262 PolarHBondContact O-N 3.09Å; P260-S433 WeakPolarHBondContact CD-OG 3.41Å; P260-P434 WeakPolarHBondContact CD-O 3.42Å; P260-F435 HydrophobicContact CB-CD1 3.71Å; P260-F435 HydrophobicContact CB-CE1 3.57Å; P260-F435 HydrophobicContact CB-CG 4.37Å; P260-F435 HydrophobicContact CB-CZ 4.13Å; P260-F435 HydrophobicContact CG-CD1 4.02Å; P260-F435 HydrophobicContact CG-CD2 4.5Å; P260-F435 HydrophobicContact CG-CE1 4.2Å; P260-F435 HydrophobicContact CG-CG 4.18Å
261N73.6Confident74.7Confident26 Ų2628.2 Ų28.214%0.13915%0.151CC..THydrogen-bonded Turntrans62.2-12176.9-49-36.8000117.6H263 T264 H265 N312N261-H263 PolarHBondContact O-N 3.18Å; N261-T264 PolarHBondContact O-OG1 2.71Å; N261-H265 PolarHBondContact O-CD2 2.84Å; N261-H265 VanDerWaalsContact O-CD2 3.32Å; N261-N312 HydrophobicContact CB-CB 4.04Å; N261-N312 VanDerWaalsContact CB-ND2 3.28Å; N261-N312 WeakPolarHBondContact CB-ND2 3.43Å
262L70.4Confident74.8Confident2 Ų227.4 Ų27.41%0.0115%0.146CC..THydrogen-bonded Turntrans-73.7-9.9177.7-67.4-166.7000113.9L250 L251 L259 P260 V268 L272 M308 I436L250-L262 HydrophobicContact CB-CD1 4.14Å; L251-L262 HydrophobicContact CD2-CB 4.06Å; L251-L262 HydrophobicContact CD2-CD1 4.3Å; L259-L262 HydrophobicContact CB-CD1 3.73Å; L259-L262 HydrophobicContact CB-CG 3.99Å; L259-L262 HydrophobicContact CD1-CD1 3.84Å; L259-L262 HydrophobicContact CG-CD1 4.38Å; L259-L262 PolarHBondContact O-N 2.78Å; P260-L262 PolarHBondContact O-N 3.09Å; L262-V268 HydrophobicContact CB-CG2 4.11Å; L262-V268 HydrophobicContact CD2-CG2 3.88Å; L262-V268 WeakPolarHBondContact O-CB 3.44Å; L262-V268 WeakPolarHBondContact O-CG2 3.2Å; L262-L272 HydrophobicContact CD1-CD2 4.44Å; L262-L272 HydrophobicContact CD2-CD2 4.25Å; L262-M308 HydrophobicContact CD2-CE 3.74Å; L262-M308 HydrophobicContact CD2-SD 4.34Å; L262-I436 HydrophobicContact CD1-CD1 4.21Å; L262-I436 HydrophobicContact CD2-CD1 4.5Å; L262-I436 HydrophobicContact CG-CD1 4.45Å
263H61.4Low75.1Confident26 Ų2628.3 Ų28.312%0.1215%0.15CC..THydrogen-bonded Turntrans-97.1-21.1-177.461.1-77.5000115.7H258 N261 H265 N494 K496H258-H263 VanDerWaalsContact CD2-CB 3.45Å; H258-H263 WeakPolarHBondContact CD2-CB 3.5Å; H258-H263 AromaticContact CD2-CE1 3.93Å; H258-H263 AromaticContact CD2-CG 3.36Å; H258-H263 AromaticContact CD2-ND1 3.04Å; H258-H263 PolarHBondContact CD2-ND1 3.24Å; H258-H263 AromaticContact NE2-CD2 3.99Å; H258-H263 AromaticContact NE2-CE1 3.41Å; H258-H263 PolarHBondContact NE2-CE1 3.47Å; H258-H263 AromaticContact NE2-CG 3.37Å; H258-H263 AromaticContact NE2-ND1 3Å; H258-H263 PolarHBondContact NE2-ND1 2.82Å; N261-H263 PolarHBondContact O-N 3.18Å; H263-H265 VanDerWaalsContact C-N 3.32Å; H263-N494 PolarHBondContact NE2-O 3.42Å; H263-K496 VanDerWaalsContact CG-NZ 3.26Å
264T53.4Low75.3Confident70 Ų7029 Ų2943%0.42916%0.16SC..THydrogen-bonded Turntrans-75.7-24.8-173.346.20000111.8N261N261-T264 PolarHBondContact O-OG1 2.71Å
265H51.8Low75.7Confident58 Ų5827.4 Ų27.427%0.26915%0.153SC..  trans-86118.2-175.2-66.1-65.6000112.5N261 H263 N267 V268 N312N261-H265 PolarHBondContact O-CD2 2.84Å; N261-H265 VanDerWaalsContact O-CD2 3.32Å; H263-H265 VanDerWaalsContact C-N 3.32Å; H265-N267 PolarHBondContact O-N 2.69Å; H265-V268 HydrophobicContact CB-CB 4.1Å; H265-V268 PolarHBondContact O-N 3.33Å; H265-N312 PolarHBondContact NE2-OD1 2.8Å
266Q54.9Low76.1Confident99 Ų9926.9 Ų26.946%0.46315%0.15SC..THydrogen-bonded Turntrans-56-18.7167-67.4-176.45.800111.8M1 F361M1-Q266 WeakPolarHBondContact CE-O 3.26Å; Q266-F361 WeakPolarHBondContact O-CE2 3.25Å
267N64.9Low76.3Confident35 Ų3530.5 Ų30.519%0.18717%0.168CC..THydrogen-bonded Turntrans-116.623.5-175.1-63.9-25000114.5H265 L269 P270 H271 F361H265-N267 PolarHBondContact O-N 2.69Å; N267-L269 PolarHBondContact O-N 3.2Å; N267-P270 VanDerWaalsContact O-CD 3.23Å; N267-P270 WeakPolarHBondContact O-CD 3.35Å; N267-H271 PolarHBondContact O-ND1 2.96Å; N267-F361 HydrophobicContact CB-CD2 4.47Å; N267-F361 WeakPolarHBondContact OD1-CD2 3.23Å
268V74.8Confident76.6Confident0 Ų032.4 Ų32.40%018%0.182CC..Hα-helixtrans-60.2-45.4-173.166.50000114.8M1 L251 L262 H265 H271 L272M1-V268 HydrophobicContact CB-CG1 4.41Å; M1-V268 HydrophobicContact CE-CG1 3.86Å; M1-V268 HydrophobicContact CG-CG1 4.18Å; L251-V268 HydrophobicContact CD1-CG1 3.95Å; L251-V268 HydrophobicContact CD2-CB 4.26Å; L251-V268 HydrophobicContact CD2-CG1 3.57Å; L251-V268 HydrophobicContact CD2-CG2 3.66Å; L251-V268 HydrophobicContact CG-CG1 4.44Å; L262-V268 HydrophobicContact CB-CG2 4.11Å; L262-V268 HydrophobicContact CD2-CG2 3.88Å; L262-V268 WeakPolarHBondContact O-CB 3.44Å; L262-V268 WeakPolarHBondContact O-CG2 3.2Å; H265-V268 HydrophobicContact CB-CB 4.1Å; H265-V268 PolarHBondContact O-N 3.33Å; V268-H271 PolarHBondContact O-N 2.89Å; V268-H271 VanDerWaalsContact O-N 3.09Å; V268-L272 HydrophobicContact CG2-CD1 4.23Å; V268-L272 HydrophobicContact CG2-CG 4.18Å; V268-L272 WeakPolarHBondContact O-CG 3.42Å; V268-L272 PolarHBondContact O-N 3.18Å
269L77.9Confident77.2Confident5 Ų532.3 Ų32.33%0.02618%0.183CC..Hα-helixtrans-58.7-44.8-176.3-77.9172.7000113F6 V248 L251 N267 H271 L272 C273 F361F6-L269 HydrophobicContact CD2-CD1 3.78Å; F6-L269 HydrophobicContact CE2-CD1 4.06Å; V248-L269 HydrophobicContact CG2-CD2 3.99Å; L251-L269 HydrophobicContact CD1-CD1 4.48Å; L251-L269 HydrophobicContact CD1-CD2 3.61Å; L251-L269 HydrophobicContact CD1-CG 3.83Å; L251-L269 HydrophobicContact CG-CD2 4.47Å; N267-L269 PolarHBondContact O-N 3.2Å; L269-H271 VanDerWaalsContact C-N 3.35Å; L269-H271 PolarHBondContact O-N 3.48Å; L269-L272 HydrophobicContact CD2-CD1 4.46Å; L269-L272 WeakPolarHBondContact O-CB 3.45Å; L269-L272 PolarHBondContact O-N 2.94Å; L269-C273 PolarHBondContact O-N 2.55Å; L269-C273 PolarHBondContact O-SG 3.37Å; L269-F361 HydrophobicContact CB-CZ 4.5Å
270P76.6Confident77.6Confident16 Ų1633.4 Ų33.410%0.10419%0.187CC..Hα-helixtrans-56.7-42.2171.8-3237.1000114.6N267 C273 A274 F361N267-P270 VanDerWaalsContact O-CD 3.23Å; N267-P270 WeakPolarHBondContact O-CD 3.35Å; P270-C273 PolarHBondContact O-N 2.7Å; P270-A274 WeakPolarHBondContact O-CB 3.38Å; P270-A274 PolarHBondContact O-N 2.99Å; P270-F361 HydrophobicContact CG-CD2 3.9Å; P270-F361 HydrophobicContact CG-CE2 3.83Å; P270-F361 HydrophobicContact CG-CG 4.35Å; P270-F361 HydrophobicContact CG-CZ 4.15Å; P270-F361 WeakPolarHBondContact CG-O 3.42Å
271H80.3Confident78Confident57 Ų5735.9 Ų35.926%0.26421%0.214SC..Hα-helixtrans-65.1-42.6177.4-69.186000110.7N267 V268 L269 C273 A274 A275 M308N267-H271 PolarHBondContact O-ND1 2.96Å; V268-H271 PolarHBondContact O-N 2.89Å; V268-H271 VanDerWaalsContact O-N 3.09Å; L269-H271 VanDerWaalsContact C-N 3.35Å; L269-H271 PolarHBondContact O-N 3.48Å; H271-C273 VanDerWaalsContact C-N 3.34Å; H271-C273 PolarHBondContact O-N 3.27Å; H271-A274 PolarHBondContact O-N 3.39Å; H271-A275 VanDerWaalsContact O-CB 3.29Å; H271-A275 WeakPolarHBondContact O-CB 3.44Å; H271-A275 PolarHBondContact O-N 3.34Å; H271-M308 HydrophobicContact CB-CE 4.02Å
272L87.1Confident79Confident1 Ų142.6 Ų42.61%0.00524%0.242CC..Hα-helixtrans-58.8-45.8173-65.7179000111.5M247 L251 L262 V268 L269 A275 Y276 L305 M308M247-L272 HydrophobicContact CB-CB 4.48Å; M247-L272 HydrophobicContact CB-CD1 4.38Å; M247-L272 HydrophobicContact SD-CB 4.02Å; L251-L272 HydrophobicContact CD2-CD1 3.78Å; L251-L272 HydrophobicContact CG-CD1 4.35Å; L262-L272 HydrophobicContact CD1-CD2 4.44Å; L262-L272 HydrophobicContact CD2-CD2 4.25Å; V268-L272 HydrophobicContact CG2-CD1 4.23Å; V268-L272 HydrophobicContact CG2-CG 4.18Å; V268-L272 WeakPolarHBondContact O-CG 3.42Å; V268-L272 PolarHBondContact O-N 3.18Å; L269-L272 HydrophobicContact CD2-CD1 4.46Å; L269-L272 WeakPolarHBondContact O-CB 3.45Å; L269-L272 PolarHBondContact O-N 2.94Å; L272-A275 PolarHBondContact O-N 3.25Å; L272-Y276 VanDerWaalsContact O-CB 3.25Å; L272-Y276 WeakPolarHBondContact O-CB 3.03Å; L272-Y276 PolarHBondContact O-N 3.27Å; L272-L305 HydrophobicContact CD2-CD1 4.16Å; L272-L305 HydrophobicContact CD2-CD2 3.55Å; L272-M308 HydrophobicContact CD2-SD 4.27Å
273C86.8Confident80.1Confident32 Ų3242.8 Ų42.822%0.21624%0.243CC..Hα-helixtrans-65.5-39.8178.4-65.60000112.3L269 P270 H271 Y276 M277L269-C273 PolarHBondContact O-N 2.55Å; L269-C273 PolarHBondContact O-SG 3.37Å; P270-C273 PolarHBondContact O-N 2.7Å; H271-C273 VanDerWaalsContact C-N 3.34Å; H271-C273 PolarHBondContact O-N 3.27Å; C273-Y276 PolarHBondContact O-N 3.48Å; C273-M277 WeakPolarHBondContact O-CB 3.24Å; C273-M277 VanDerWaalsContact O-CG 3.26Å; C273-M277 WeakPolarHBondContact O-CG 3.5Å; C273-M277 PolarHBondContact O-N 3.32Å
274A86.4Confident81.4Confident43 Ų4349.6 Ų49.636%0.35528%0.275SS..Hα-helixtrans-67.1-44.9177.400000111.4P270 H271 M277 S278P270-A274 WeakPolarHBondContact O-CB 3.38Å; P270-A274 PolarHBondContact O-N 2.99Å; H271-A274 PolarHBondContact O-N 3.39Å; A274-M277 PolarHBondContact O-N 2.97Å; A274-S278 WeakPolarHBondContact O-CB 3.4Å; A274-S278 PolarHBondContact O-N 3.22Å
275A89.7Confident83.3Confident12 Ų1246.9 Ų46.910%0.09926%0.261CS..Hα-helixtrans-57.8-49.5173.700000110.8H271 L272 M277 S278 V279 K304 L305H271-A275 VanDerWaalsContact O-CB 3.29Å; H271-A275 WeakPolarHBondContact O-CB 3.44Å; H271-A275 PolarHBondContact O-N 3.34Å; L272-A275 PolarHBondContact O-N 3.25Å; A275-M277 PolarHBondContact O-N 3.08Å; A275-S278 PolarHBondContact O-N 3.25Å; A275-S278 PolarHBondContact O-OG 2.96Å; A275-V279 PolarHBondContact O-N 3.47Å; A275-K304 HydrophobicContact CB-CG 3.98Å; A275-L305 HydrophobicContact CB-CD2 3.62Å
276Y92.4Very high85.4Confident2 Ų245.7 Ų45.71%0.00826%0.255CS..Hα-helixtrans-53.8-51.6174.7172.7-92.7000112.5L240 D243 M247 L272 C273 S278 V279 F280 M283 V287 L301L240-Y276 HydrophobicContact CD1-CE1 4.02Å; D243-Y276 HydrophobicContact CB-CE2 3.83Å; D243-Y276 WeakPolarHBondContact OD2-CE2 3.4Å; D243-Y276 PolarHBondContact OD2-OH 2.9Å; M247-Y276 HydrophobicContact CE-CG 4.31Å; M247-Y276 HydrophobicContact SD-CD2 4.4Å; M247-Y276 HydrophobicContact SD-CG 4.13Å; L272-Y276 VanDerWaalsContact O-CB 3.25Å; L272-Y276 WeakPolarHBondContact O-CB 3.03Å; L272-Y276 PolarHBondContact O-N 3.27Å; C273-Y276 PolarHBondContact O-N 3.48Å; Y276-S278 VanDerWaalsContact C-N 3.29Å; Y276-S278 PolarHBondContact O-N 3.32Å; Y276-V279 PolarHBondContact O-N 3.32Å; Y276-F280 AromaticContact CE1-CD2 3.7Å; Y276-F280 HydrophobicContact CE1-CD2 3.7Å; Y276-F280 HydrophobicContact CE1-CE2 4.27Å; Y276-F280 HydrophobicContact CE2-CD2 4.35Å; Y276-F280 AromaticContact CZ-CD2 3.55Å; Y276-F280 AromaticContact CZ-CE2 3.92Å; Y276-F280 PolarHBondContact O-N 3.34Å; Y276-F280 WeakPolarHBondContact OH-CD2 3.35Å; Y276-F280 WeakPolarHBondContact OH-CE2 3.1Å; Y276-M283 HydrophobicContact CD2-CE 3.76Å; Y276-M283 HydrophobicContact CE2-CE 3.59Å; Y276-V287 HydrophobicContact CE2-CG2 4.47Å; Y276-L301 HydrophobicContact CD2-CD1 4.47Å; Y276-L301 HydrophobicContact CD2-CD2 4.33Å
277M89.9Confident87.3Confident88 Ų8841 Ų4143%0.43323%0.233SC..Hα-helixtrans-64.2-33.7-179.7-71.4-63.2176.500112.5F235 L240 C273 A274 A275 V279 F280F235-M277 HydrophobicContact CE1-SD 4.42Å; F235-M277 HydrophobicContact CZ-SD 4.35Å; L240-M277 HydrophobicContact CD1-CE 4.1Å; C273-M277 WeakPolarHBondContact O-CB 3.24Å; C273-M277 VanDerWaalsContact O-CG 3.26Å; C273-M277 WeakPolarHBondContact O-CG 3.5Å; C273-M277 PolarHBondContact O-N 3.32Å; A274-M277 PolarHBondContact O-N 2.97Å; A275-M277 PolarHBondContact O-N 3.08Å; M277-V279 PolarHBondContact O-N 3.2Å; M277-F280 PolarHBondContact O-N 3.35Å
278S91.4Very high88.8Confident73 Ų7339.3 Ų39.351%0.5122%0.224SC..Hα-helixtrans-65.3-26.9178.378.40000113.4A274 A275 Y276 K304A274-S278 WeakPolarHBondContact O-CB 3.4Å; A274-S278 PolarHBondContact O-N 3.22Å; A275-S278 PolarHBondContact O-N 3.25Å; A275-S278 PolarHBondContact O-OG 2.96Å; Y276-S278 VanDerWaalsContact C-N 3.29Å; Y276-S278 PolarHBondContact O-N 3.32Å; S278-K304 VanDerWaalsContact OG-CE 3.3Å; S278-K304 WeakPolarHBondContact OG-CE 3.09Å
279V94.3Very high89.7Confident15 Ų1543.8 Ų43.89%0.09125%0.245CC..Hα-helixtrans-110.2-3.3179.9-61.50000114.2A275 Y276 M277 G281 K282 M283 I300 L301 K304A275-V279 PolarHBondContact O-N 3.47Å; Y276-V279 PolarHBondContact O-N 3.32Å; M277-V279 PolarHBondContact O-N 3.2Å; V279-G281 VanDerWaalsContact C-N 3.27Å; V279-G281 PolarHBondContact O-N 2.92Å; V279-K282 WeakPolarHBondContact O-CA 3.4Å; V279-K282 WeakPolarHBondContact O-CB 3.18Å; V279-K282 PolarHBondContact O-N 3.44Å; V279-M283 HydrophobicContact CG2-CE 4.1Å; V279-M283 HydrophobicContact CG2-CG 4.37Å; V279-M283 HydrophobicContact CG2-SD 4.15Å; V279-M283 WeakPolarHBondContact O-CG 3.43Å; V279-M283 PolarHBondContact O-N 3.32Å; V279-I300 HydrophobicContact CB-CG2 4.02Å; V279-I300 HydrophobicContact CG1-CG2 4.5Å; V279-I300 HydrophobicContact CG2-CG2 4.39Å; V279-L301 HydrophobicContact CG2-CD1 4Å; V279-K304 HydrophobicContact CG1-CB 3.7Å; V279-K304 HydrophobicContact CG1-CD 4.14Å; V279-K304 HydrophobicContact CG1-CG 3.82Å; V279-K304 HydrophobicContact CG2-CB 4.48Å
280F91.1Very high90.4Very high33 Ų3346.2 Ų46.215%0.14527%0.265CS..Hα-helixtrans-52.2-43.9-179.4-171.9-96000112.9F235 Y276 M277 K282 M283 Q284 Y286F235-F280 AromaticContact CD1-CE1 3.86Å; F235-F280 HydrophobicContact CD1-CE1 3.86Å; F235-F280 HydrophobicContact CD1-CE2 4.39Å; F235-F280 AromaticContact CD1-CZ 3.76Å; F235-F280 HydrophobicContact CD1-CZ 3.76Å; F235-F280 AromaticContact CE1-CD1 3.77Å; F235-F280 HydrophobicContact CE1-CD1 3.77Å; F235-F280 AromaticContact CE1-CE1 3.48Å; F235-F280 HydrophobicContact CE1-CE1 3.48Å; F235-F280 VanDerWaalsContact CE1-CE1 3.48Å; F235-F280 HydrophobicContact CE1-CE2 4.32Å; F235-F280 HydrophobicContact CE1-CG 4.3Å; F235-F280 AromaticContact CE1-CZ 3.78Å; F235-F280 HydrophobicContact CE1-CZ 3.78Å; Y276-F280 AromaticContact CE1-CD2 3.7Å; Y276-F280 HydrophobicContact CE1-CD2 3.7Å; Y276-F280 HydrophobicContact CE1-CE2 4.27Å; Y276-F280 HydrophobicContact CE2-CD2 4.35Å; Y276-F280 AromaticContact CZ-CD2 3.55Å; Y276-F280 AromaticContact CZ-CE2 3.92Å; Y276-F280 PolarHBondContact O-N 3.34Å; Y276-F280 WeakPolarHBondContact OH-CD2 3.35Å; Y276-F280 WeakPolarHBondContact OH-CE2 3.1Å; M277-F280 PolarHBondContact O-N 3.35Å; F280-K282 VanDerWaalsContact C-N 3.28Å; F280-K282 PolarHBondContact O-N 3.19Å; F280-M283 HydrophobicContact CB-CE 4.38Å; F280-M283 HydrophobicContact CD2-CE 4.16Å; F280-M283 PolarHBondContact O-N 2.93Å; F280-Q284 PolarHBondContact O-N 2.66Å; F280-Q284 VanDerWaalsContact O-N 3.11Å; F280-Y286 HydrophobicContact CE2-CD1 4.13Å; F280-Y286 AromaticContact CE2-CE1 3.94Å; F280-Y286 HydrophobicContact CE2-CE1 3.94Å; F280-Y286 HydrophobicContact CZ-CE1 4.12Å
281G89.1Confident91.2Very high61 Ų6145.4 Ų45.463%0.62926%0.26SS*.Hα-helixtrans-63.4-30.1176.300000114.3V279 Q284V279-G281 VanDerWaalsContact C-N 3.27Å; V279-G281 PolarHBondContact O-N 2.92Å; G281-Q284 WeakPolarHBondContact O-CG 3.48Å
282K93.9Very high91.9Very high166 Ų16648.2 Ų48.272%0.72227%0.269SS*.Hα-helixtrans-76.8-36.6174.2-108.4-177178.1178.90112V279 F280 Q284 I300V279-K282 WeakPolarHBondContact O-CA 3.4Å; V279-K282 WeakPolarHBondContact O-CB 3.18Å; V279-K282 PolarHBondContact O-N 3.44Å; F280-K282 VanDerWaalsContact C-N 3.28Å; F280-K282 PolarHBondContact O-N 3.19Å; K282-Q284 VanDerWaalsContact C-N 3.27Å; K282-Q284 PolarHBondContact O-N 3.5Å; K282-I300 HydrophobicContact CB-CG2 4.17Å
283M94.2Very high92.3Very high6 Ų648.9 Ų48.93%0.0327%0.272CS..Hα-helixtrans-69.3-25.9178.1-65.2-170.4-61.400112.7Y276 V279 F280 G285 V287 R297 I300 L301Y276-M283 HydrophobicContact CD2-CE 3.76Å; Y276-M283 HydrophobicContact CE2-CE 3.59Å; V279-M283 HydrophobicContact CG2-CE 4.1Å; V279-M283 HydrophobicContact CG2-CG 4.37Å; V279-M283 HydrophobicContact CG2-SD 4.15Å; V279-M283 WeakPolarHBondContact O-CG 3.43Å; V279-M283 PolarHBondContact O-N 3.32Å; F280-M283 HydrophobicContact CB-CE 4.38Å; F280-M283 HydrophobicContact CD2-CE 4.16Å; F280-M283 PolarHBondContact O-N 2.93Å; M283-G285 PolarHBondContact O-N 2.89Å; M283-V287 HydrophobicContact CE-CG2 4.08Å; M283-V287 HydrophobicContact SD-CG2 3.44Å; M283-V287 WeakPolarHBondContact SD-CG2 3.33Å; M283-R297 HydrophobicContact CB-CB 4.23Å; M283-R297 HydrophobicContact CB-CG 4.09Å; M283-R297 HydrophobicContact CG-CB 4.3Å; M283-R297 WeakPolarHBondContact O-CG 3.35Å; M283-R297 PolarHBondContact O-NE 3.3Å; M283-R297 HydrophobicContact SD-CB 4.34Å; M283-I300 HydrophobicContact CG-CB 4.08Å; M283-I300 HydrophobicContact CG-CD1 4.41Å; M283-I300 HydrophobicContact CG-CG2 3.84Å; M283-L301 HydrophobicContact SD-CB 4.03Å
284Q89.4Confident92.7Very high169 Ų16949 Ų4979%0.7927%0.27SS*.THydrogen-bonded Turntrans52.737179.3-59.6-175.8-14.500112.8F280 G281 K282F280-Q284 PolarHBondContact O-N 2.66Å; F280-Q284 VanDerWaalsContact O-N 3.11Å; G281-Q284 WeakPolarHBondContact O-CG 3.48Å; K282-Q284 VanDerWaalsContact C-N 3.27Å; K282-Q284 PolarHBondContact O-N 3.5Å
285G91.7Very high93.1Very high14 Ų1447.7 Ų47.714%0.14426%0.257CS..SBendtrans152.1-172.2-177.200000112M283M283-G285 PolarHBondContact O-N 2.89Å
286Y95.7Very high93.3Very high33 Ų3350.8 Ų50.813%0.12928%0.277CS..  trans-91.4150.8-173.3-59.4-87.2000112.2F235 D236 S239 L240 D243 F280 R297F235-Y286 WeakPolarHBondContact CA-OH 3.34Å; D236-Y286 HydrophobicContact CB-CE2 4.19Å; D236-Y286 PolarHBondContact N-OH 2.84Å; D236-Y286 PolarHBondContact O-OH 2.96Å; S239-Y286 VanDerWaalsContact CB-CD1 3.48Å; S239-Y286 WeakPolarHBondContact O-CD1 3.48Å; L240-Y286 HydrophobicContact CB-CE1 4.22Å; D243-Y286 VanDerWaalsContact OD2-CA 3.24Å; D243-Y286 WeakPolarHBondContact OD2-CA 3.33Å; D243-Y286 WeakPolarHBondContact OD2-CB 3.48Å; D243-Y286 WeakPolarHBondContact OD2-CD1 3.24Å; F280-Y286 HydrophobicContact CE2-CD1 4.13Å; F280-Y286 AromaticContact CE2-CE1 3.94Å; F280-Y286 HydrophobicContact CE2-CE1 3.94Å; F280-Y286 HydrophobicContact CZ-CE1 4.12Å; Y286-R297 WeakPolarHBondContact O-CD 3.25Å; Y286-R297 PolarHBondContact O-NH1 3.45Å
287V95.8Very high93.5Very high0 Ų053.1 Ų53.10%029%0.285CS..SBendtrans-81.8-30.2-179.2177.40000111.6D243 F246 Y276 M283 L293 N294 R297 L298 L301D243-V287 VanDerWaalsContact CG-N 3.33Å; D243-V287 WeakPolarHBondContact OD1-CA 3.38Å; D243-V287 PolarHBondContact OD1-N 2.97Å; D243-V287 PolarHBondContact OD2-N 3.3Å; F246-V287 HydrophobicContact CD1-CG1 4.06Å; F246-V287 HydrophobicContact CE1-CG1 3.96Å; Y276-V287 HydrophobicContact CE2-CG2 4.47Å; M283-V287 HydrophobicContact CE-CG2 4.08Å; M283-V287 HydrophobicContact SD-CG2 3.44Å; M283-V287 WeakPolarHBondContact SD-CG2 3.33Å; V287-L293 HydrophobicContact CG1-CD2 4.27Å; V287-L293 WeakPolarHBondContact O-CA 3.46Å; V287-N294 PolarHBondContact O-N 3.44Å; V287-R297 HydrophobicContact CG2-CB 4.17Å; V287-L298 HydrophobicContact CG1-CB 3.93Å; V287-L298 HydrophobicContact CG1-CD1 3.82Å; V287-L298 HydrophobicContact CG1-CG 4.46Å; V287-L301 HydrophobicContact CG2-CD2 4.14Å
288N96Very high93.7Very high0 Ų049 Ų490%027%0.265CS..EExtended strand (participates in β ladder)trans-120.1110.6-177.4178.717.7000109.9D242 D243 F246 G291 R292 L414 Y418D242-N288 HydrophobicContact CB-CB 4.29Å; D242-N288 PolarHBondContact O-ND2 2.94Å; D243-N288 WeakPolarHBondContact OD1-CB 3.45Å; D243-N288 PolarHBondContact OD1-N 3.26Å; F246-N288 HydrophobicContact CB-CB 4.13Å; N288-G291 WeakPolarHBondContact OD1-CA 3.47Å; N288-G291 PolarHBondContact OD1-N 2.71Å; N288-R292 PolarHBondContact OD1-N 3.43Å; N288-L414 HydrophobicContact CB-CD1 4.48Å; N288-Y418 PolarHBondContact ND2-OH 3.22Å
289E94.4Very high93.8Very high94 Ų9446.5 Ų46.544%0.43925%0.249SC..EExtended strand (participates in β ladder)trans-101.387.5179.3-63.2175.8-179.900108.9G291 R292 N294 R297E289-G291 VanDerWaalsContact C-N 3.27Å; E289-G291 PolarHBondContact O-N 3.34Å; E289-R292 PolarHBondContact N-O 3.04Å; E289-R292 WeakPolarHBondContact O-CB 3.25Å; E289-R292 PolarHBondContact O-N 3.01Å; E289-R292 VanDerWaalsContact O-N 3.09Å; E289-N294 PolarHBondContact OE1-ND2 3.13Å; E289-R297 IonicContact OE1-CZ 3.17Å; E289-R297 IonicContact OE1-NH1 2.73Å; E289-R297 PolarHBondContact OE1-NH1 3.34Å
290A92.3Very high93.9Very high55 Ų5548.6 Ų48.646%0.45526%0.259SS..THydrogen-bonded Turntrans51.145.3-179.500000113.3D242 Y418D242-A290 VanDerWaalsContact OD2-CA 3.31Å; D242-A290 WeakPolarHBondContact OD2-CA 3.47Å; D242-A290 PolarHBondContact OD2-N 2.69Å; A290-Y418 WeakPolarHBondContact O-CD1 3.38Å
291G94Very high94.1Very high0 Ų047.1 Ų47.10%025%0.252CS..THydrogen-bonded Turntrans91.64178.500000114.4N288 E289 Q411 L414 Y418N288-G291 WeakPolarHBondContact OD1-CA 3.47Å; N288-G291 PolarHBondContact OD1-N 2.71Å; E289-G291 VanDerWaalsContact C-N 3.27Å; E289-G291 PolarHBondContact O-N 3.34Å; G291-Q411 PolarHBondContact O-NE2 3.04Å; G291-L414 WeakPolarHBondContact O-CB 3.32Å; G291-Y418 VanDerWaalsContact CA-CG 3.44Å; G291-Y418 VanDerWaalsContact N-CD1 3.3Å
292R95Very high94.3Very high116 Ų11644.3 Ų44.344%0.43822%0.223SC..EExtended strand (participates in β ladder)trans-109.7125.5175.2-68.1171176.866.39.3110.6N288 E289 Y415 E419N288-R292 PolarHBondContact OD1-N 3.43Å; E289-R292 PolarHBondContact N-O 3.04Å; E289-R292 WeakPolarHBondContact O-CB 3.25Å; E289-R292 PolarHBondContact O-N 3.01Å; E289-R292 VanDerWaalsContact O-N 3.09Å; R292-Y415 HydrophobicContact CG-CE1 4.06Å; R292-E419 IonicContact CZ-OE1 3.58Å; R292-E419 IonicContact NH1-OE1 2.73Å; R292-E419 PolarHBondContact NH1-OE1 3.43Å; R292-E419 IonicContact NH2-OE1 3.81Å; R292-E419 PolarHBondContact NH2-OE1 2.86Å; R292-E419 IonicContact NH2-OE2 3.85Å
293L95.3Very high94.3Very high15 Ų1540.9 Ų40.98%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-76130.2179.6-68.9170.9000111.5F246 V287 L295 L298 L410 Q411 L414F246-L293 HydrophobicContact CD2-CD2 3.75Å; F246-L293 HydrophobicContact CE2-CD2 3.72Å; F246-L293 HydrophobicContact CG-CD2 4.36Å; F246-L293 HydrophobicContact CZ-CD2 4.32Å; V287-L293 HydrophobicContact CG1-CD2 4.27Å; V287-L293 WeakPolarHBondContact O-CA 3.46Å; L293-L295 HydrophobicContact CB-CD2 3.95Å; L293-L295 PolarHBondContact O-N 3.16Å; L293-L298 HydrophobicContact CD1-CD2 4.11Å; L293-L298 HydrophobicContact CD2-CD2 4.46Å; L293-L410 HydrophobicContact CD1-CB 3.93Å; L293-Q411 HydrophobicContact CD1-CB 4.12Å; L293-L414 HydrophobicContact CD1-CD1 4.31Å; L293-L414 HydrophobicContact CD2-CD1 3.43Å; L293-L414 VanDerWaalsContact CD2-CD1 3.43Å; L293-L414 HydrophobicContact CG-CD1 3.64Å
294N95.6Very high94.3Very high34 Ų3443.2 Ų43.218%0.18222%0.22CC..  trans-84.794.9163.3-169.4-59000108.8V287 E289 P296 R297 L298V287-N294 PolarHBondContact O-N 3.44Å; E289-N294 PolarHBondContact OE1-ND2 3.13Å; N294-P296 WeakPolarHBondContact OD1-CD 3.22Å; N294-R297 HydrophobicContact CB-CB 4.2Å; N294-R297 HydrophobicContact CB-CG 4.33Å; N294-R297 PolarHBondContact ND2-NH1 3.27Å; N294-R297 PolarHBondContact O-N 2.99Å; N294-R297 VanDerWaalsContact O-N 3.16Å; N294-R297 WeakPolarHBondContact OD1-CG 3.45Å; N294-R297 PolarHBondContact OD1-N 3.04Å; N294-L298 WeakPolarHBondContact O-CB 3.49Å; N294-L298 PolarHBondContact O-N 3.32Å
295L93.6Very high94.4Very high15 Ų1535.2 Ų35.28%0.07918%0.182CC..Hα-helixtrans-61-40.1-172.2-58.7179.1000114.3L293 R297 L298 A299 F442 E443 L447L293-L295 HydrophobicContact CB-CD2 3.95Å; L293-L295 PolarHBondContact O-N 3.16Å; L295-R297 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 3.22Å; L295-L298 HydrophobicContact CD2-CD2 4.1Å; L295-L298 WeakPolarHBondContact O-CB 3.24Å; L295-L298 PolarHBondContact O-N 2.85Å; L295-A299 PolarHBondContact O-N 3.13Å; L295-F442 HydrophobicContact CB-CD2 4.36Å; L295-F442 HydrophobicContact CB-CE2 4.42Å; L295-F442 WeakPolarHBondContact CD1-O 3.47Å; L295-F442 HydrophobicContact CD2-CD2 4.07Å; L295-F442 HydrophobicContact CD2-CE2 4.25Å; L295-E443 WeakPolarHBondContact CD1-O 3.4Å; L295-L447 HydrophobicContact CD1-CD1 3.89Å; L295-L447 HydrophobicContact CD1-CG 4.26Å; L295-L447 HydrophobicContact CD2-CD1 4.05Å; L295-L447 HydrophobicContact CG-CD1 4.13Å
296P94.3Very high94.4Very high78 Ų7834.6 Ų34.651%0.50618%0.175SC..Hα-helixtrans-59.3-40.7173.1-27.735.9000113.8N294 I300N294-P296 WeakPolarHBondContact OD1-CD 3.22Å; P296-I300 PolarHBondContact O-N 3.27Å
297R95.6Very high94.1Very high51 Ų5136.5 Ų36.519%0.19219%0.185CC..Hα-helixtrans-70.7-38.2175.9-67175.9-173.2143.58.7111.5M283 Y286 V287 E289 N294 L295 A299 I300 L301M283-R297 HydrophobicContact CB-CB 4.23Å; M283-R297 HydrophobicContact CB-CG 4.09Å; M283-R297 HydrophobicContact CG-CB 4.3Å; M283-R297 WeakPolarHBondContact O-CG 3.35Å; M283-R297 PolarHBondContact O-NE 3.3Å; M283-R297 HydrophobicContact SD-CB 4.34Å; Y286-R297 WeakPolarHBondContact O-CD 3.25Å; Y286-R297 PolarHBondContact O-NH1 3.45Å; V287-R297 HydrophobicContact CG2-CB 4.17Å; E289-R297 IonicContact OE1-CZ 3.17Å; E289-R297 IonicContact OE1-NH1 2.73Å; E289-R297 PolarHBondContact OE1-NH1 3.34Å; N294-R297 HydrophobicContact CB-CB 4.2Å; N294-R297 HydrophobicContact CB-CG 4.33Å; N294-R297 PolarHBondContact ND2-NH1 3.27Å; N294-R297 PolarHBondContact O-N 2.99Å; N294-R297 VanDerWaalsContact O-N 3.16Å; N294-R297 WeakPolarHBondContact OD1-CG 3.45Å; N294-R297 PolarHBondContact OD1-N 3.04Å; L295-R297 VanDerWaalsContact C-N 3.34Å; L295-R297 PolarHBondContact O-N 3.22Å; R297-A299 VanDerWaalsContact C-N 3.31Å; R297-A299 PolarHBondContact O-N 3.47Å; R297-I300 WeakPolarHBondContact O-CB 2.88Å; R297-I300 PolarHBondContact O-N 2.86Å; R297-L301 PolarHBondContact O-N 3.2Å; R297-L301 VanDerWaalsContact O-N 3.07Å
298L95.1Very high93.7Very high1 Ų137.5 Ų37.51%0.00519%0.191CC..Hα-helixtrans-59.7-42.1175-179.459.2000111.8F246 V287 L293 N294 L295 I300 L301 F302 F442F246-L298 HydrophobicContact CE1-CD1 3.58Å; F246-L298 HydrophobicContact CE2-CD1 4.38Å; F246-L298 HydrophobicContact CZ-CD1 3.33Å; F246-L298 HydrophobicContact CZ-CD2 4.49Å; V287-L298 HydrophobicContact CG1-CB 3.93Å; V287-L298 HydrophobicContact CG1-CD1 3.82Å; V287-L298 HydrophobicContact CG1-CG 4.46Å; L293-L298 HydrophobicContact CD1-CD2 4.11Å; L293-L298 HydrophobicContact CD2-CD2 4.46Å; N294-L298 WeakPolarHBondContact O-CB 3.49Å; N294-L298 PolarHBondContact O-N 3.32Å; L295-L298 HydrophobicContact CD2-CD2 4.1Å; L295-L298 WeakPolarHBondContact O-CB 3.24Å; L295-L298 PolarHBondContact O-N 2.85Å; L298-I300 VanDerWaalsContact C-N 3.31Å; L298-I300 PolarHBondContact O-N 3.35Å; L298-L301 PolarHBondContact O-N 2.63Å; L298-L301 VanDerWaalsContact O-N 3.15Å; L298-F302 HydrophobicContact CD1-CD1 3.63Å; L298-F302 HydrophobicContact CD1-CD2 4.43Å; L298-F302 HydrophobicContact CD1-CE1 3.38Å; L298-F302 HydrophobicContact CD1-CE2 4.18Å; L298-F302 HydrophobicContact CD1-CG 4.19Å; L298-F302 HydrophobicContact CD1-CZ 3.67Å; L298-F302 HydrophobicContact CD2-CE2 4.33Å; L298-F302 HydrophobicContact CD2-CZ 4.34Å; L298-F302 HydrophobicContact CG-CD1 4.32Å; L298-F302 HydrophobicContact CG-CD2 4.33Å; L298-F302 HydrophobicContact CG-CE1 4.25Å; L298-F302 HydrophobicContact CG-CE2 4.21Å; L298-F302 HydrophobicContact CG-CG 4.39Å; L298-F302 HydrophobicContact CG-CZ 4.19Å; L298-F302 WeakPolarHBondContact O-CB 3.46Å; L298-F302 PolarHBondContact O-N 2.95Å; L298-F442 HydrophobicContact CB-CE2 4.1Å; L298-F442 HydrophobicContact CB-CZ 4.4Å; L298-F442 HydrophobicContact CD2-CE2 3.75Å; L298-F442 HydrophobicContact CD2-CZ 4.11Å; L298-F442 HydrophobicContact CG-CE2 3.83Å; L298-F442 HydrophobicContact CG-CZ 3.86Å
299A93.9Very high93.3Very high21 Ų2137.6 Ų37.617%0.17419%0.191CC..Hα-helixtrans-59.7-40.8176.400000112.1L295 R297 F302 E303 F442 E443L295-A299 PolarHBondContact O-N 3.13Å; R297-A299 VanDerWaalsContact C-N 3.31Å; R297-A299 PolarHBondContact O-N 3.47Å; A299-F302 PolarHBondContact O-N 3.06Å; A299-E303 WeakPolarHBondContact O-CB 3.45Å; A299-E303 PolarHBondContact O-N 3.25Å; A299-F442 HydrophobicContact CB-CE2 4.41Å; A299-F442 HydrophobicContact CB-CZ 4.12Å; A299-E443 HydrophobicContact CB-CG 3.97Å
300I96Very high92.9Very high58 Ų5835.5 Ų35.530%0.29718%0.179SC..Hα-helixtrans-61.8-45.2174.3-64.1168.7000110.9V279 K282 M283 P296 R297 L298 K304V279-I300 HydrophobicContact CB-CG2 4.02Å; V279-I300 HydrophobicContact CG1-CG2 4.5Å; V279-I300 HydrophobicContact CG2-CG2 4.39Å; K282-I300 HydrophobicContact CB-CG2 4.17Å; M283-I300 HydrophobicContact CG-CB 4.08Å; M283-I300 HydrophobicContact CG-CD1 4.41Å; M283-I300 HydrophobicContact CG-CG2 3.84Å; P296-I300 PolarHBondContact O-N 3.27Å; R297-I300 WeakPolarHBondContact O-CB 2.88Å; R297-I300 PolarHBondContact O-N 2.86Å; L298-I300 VanDerWaalsContact C-N 3.31Å; L298-I300 PolarHBondContact O-N 3.35Å; I300-K304 PolarHBondContact O-N 3.33Å
301L95.2Very high92.6Very high2 Ų235.7 Ų35.71%0.0117%0.173CC..Hα-helixtrans-65.3-44.2178.5179.759.9000111.8F246 Y276 V279 M283 V287 R297 L298 E303 K304 L305F246-L301 HydrophobicContact CE1-CD2 4.13Å; Y276-L301 HydrophobicContact CD2-CD1 4.47Å; Y276-L301 HydrophobicContact CD2-CD2 4.33Å; V279-L301 HydrophobicContact CG2-CD1 4Å; M283-L301 HydrophobicContact SD-CB 4.03Å; V287-L301 HydrophobicContact CG2-CD2 4.14Å; R297-L301 PolarHBondContact O-N 3.2Å; R297-L301 VanDerWaalsContact O-N 3.07Å; L298-L301 PolarHBondContact O-N 2.63Å; L298-L301 VanDerWaalsContact O-N 3.15Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-E303 PolarHBondContact O-N 3.3Å; L301-K304 WeakPolarHBondContact O-CB 3.29Å; L301-K304 PolarHBondContact O-N 2.96Å; L301-K304 VanDerWaalsContact O-N 3.15Å; L301-L305 HydrophobicContact CD1-CD1 4.3Å; L301-L305 HydrophobicContact CD1-CG 4.2Å; L301-L305 HydrophobicContact CG-CD1 4Å; L301-L305 HydrophobicContact CG-CG 4.31Å; L301-L305 WeakPolarHBondContact O-CG 3.13Å; L301-L305 PolarHBondContact O-N 3.11Å
302F93.3Very high92.1Very high3 Ų336.4 Ų36.41%0.01318%0.176CC..Hα-helixtrans-65.7-36.8179.2-82.210.7000112.3F246 L250 L298 A299 K304 L305 S306 L410 I436 L439 F442F246-F302 HydrophobicContact CE1-CE1 4.5Å; F246-F302 HydrophobicContact CZ-CE1 4.1Å; F246-F302 HydrophobicContact CZ-CZ 4.29Å; L250-F302 HydrophobicContact CD1-CE1 4.24Å; L250-F302 HydrophobicContact CD2-CE1 4Å; L250-F302 HydrophobicContact CD2-CZ 4.03Å; L298-F302 HydrophobicContact CD1-CD1 3.63Å; L298-F302 HydrophobicContact CD1-CD2 4.43Å; L298-F302 HydrophobicContact CD1-CE1 3.38Å; L298-F302 HydrophobicContact CD1-CE2 4.18Å; L298-F302 HydrophobicContact CD1-CG 4.19Å; L298-F302 HydrophobicContact CD1-CZ 3.67Å; L298-F302 HydrophobicContact CD2-CE2 4.33Å; L298-F302 HydrophobicContact CD2-CZ 4.34Å; L298-F302 HydrophobicContact CG-CD1 4.32Å; L298-F302 HydrophobicContact CG-CD2 4.33Å; L298-F302 HydrophobicContact CG-CE1 4.25Å; L298-F302 HydrophobicContact CG-CE2 4.21Å; L298-F302 HydrophobicContact CG-CG 4.39Å; L298-F302 HydrophobicContact CG-CZ 4.19Å; L298-F302 WeakPolarHBondContact O-CB 3.46Å; L298-F302 PolarHBondContact O-N 2.95Å; A299-F302 PolarHBondContact O-N 3.06Å; F302-K304 VanDerWaalsContact C-N 3.29Å; F302-K304 PolarHBondContact O-N 2.79Å; F302-L305 HydrophobicContact CD1-CD1 4.19Å; F302-L305 HydrophobicContact CE1-CD1 4.48Å; F302-L305 PolarHBondContact O-N 2.78Å; F302-S306 PolarHBondContact O-N 2.73Å; F302-L410 HydrophobicContact CE2-CD1 4.09Å; F302-L410 HydrophobicContact CZ-CD1 3.68Å; F302-I436 HydrophobicContact CB-CG2 4.09Å; F302-I436 HydrophobicContact CD1-CG2 4.37Å; F302-I436 HydrophobicContact CG-CG2 4.12Å; F302-L439 HydrophobicContact CD2-CB 3.76Å; F302-L439 HydrophobicContact CD2-CD1 4.17Å; F302-L439 HydrophobicContact CE2-CB 4Å; F302-L439 HydrophobicContact CE2-CD1 3.66Å; F302-L439 HydrophobicContact CE2-CG 4.47Å; F302-L439 HydrophobicContact CZ-CD1 4.31Å; F302-F442 AromaticContact CD2-CE1 3.69Å; F302-F442 HydrophobicContact CD2-CE1 3.69Å; F302-F442 AromaticContact CD2-CZ 3.7Å; F302-F442 HydrophobicContact CD2-CZ 3.7Å; F302-F442 HydrophobicContact CE2-CE1 4.27Å; F302-F442 HydrophobicContact CE2-CZ 4.23Å; F302-F442 HydrophobicContact CG-CZ 4.41Å
303E94.4Very high91.6Very high93 Ų9331 Ų3144%0.43516%0.156SC..Hα-helixtrans-59.1-42.6171.8-174.359.6-154.900111A299 L301 S306 K440A299-E303 WeakPolarHBondContact O-CB 3.45Å; A299-E303 PolarHBondContact O-N 3.25Å; L301-E303 VanDerWaalsContact C-N 3.34Å; L301-E303 PolarHBondContact O-N 3.3Å; E303-S306 WeakPolarHBondContact O-CB 3.36Å; E303-S306 PolarHBondContact O-N 3.09Å; E303-S306 PolarHBondContact O-OG 3.42Å; E303-K440 IonicContact OE1-NZ 2.69Å; E303-K440 WeakPolarHBondContact OE2-CE 3.43Å; E303-K440 IonicContact OE2-NZ 2.75Å; E303-K440 PolarHBondContact OE2-NZ 3.37Å
304K94Very high91Very high56 Ų5631.3 Ų31.324%0.24316%0.158CC..Hα-helixtrans-66-44.7174.7-17863-175.5171.60112.5A275 S278 V279 I300 L301 F302 S306 E307A275-K304 HydrophobicContact CB-CG 3.98Å; S278-K304 VanDerWaalsContact OG-CE 3.3Å; S278-K304 WeakPolarHBondContact OG-CE 3.09Å; V279-K304 HydrophobicContact CG1-CB 3.7Å; V279-K304 HydrophobicContact CG1-CD 4.14Å; V279-K304 HydrophobicContact CG1-CG 3.82Å; V279-K304 HydrophobicContact CG2-CB 4.48Å; I300-K304 PolarHBondContact O-N 3.33Å; L301-K304 WeakPolarHBondContact O-CB 3.29Å; L301-K304 PolarHBondContact O-N 2.96Å; L301-K304 VanDerWaalsContact O-N 3.15Å; F302-K304 VanDerWaalsContact C-N 3.29Å; F302-K304 PolarHBondContact O-N 2.79Å; K304-S306 PolarHBondContact O-N 3.31Å; K304-E307 WeakPolarHBondContact CD-OE1 3.47Å; K304-E307 VanDerWaalsContact CE-OE2 3.3Å; K304-E307 WeakPolarHBondContact CE-OE2 3.34Å; K304-E307 IonicContact NZ-OE1 3.28Å; K304-E307 PolarHBondContact NZ-OE1 3.49Å; K304-E307 VanDerWaalsContact NZ-OE1 3.07Å; K304-E307 IonicContact NZ-OE2 3.96Å; K304-E307 PolarHBondContact NZ-OE2 3.41Å; K304-E307 WeakPolarHBondContact O-CB 3.17Å; K304-E307 WeakPolarHBondContact O-CG 3.35Å; K304-E307 PolarHBondContact O-N 2.88Å
305L91.9Very high90.3Very high1 Ų133.1 Ų33.11%0.00517%0.167CC..Hα-helixtrans-66.3-22.9179.4-69.3179.1000112.7L250 L272 A275 L301 F302 E307 M308 I436L250-L305 HydrophobicContact CD1-CD1 3.93Å; L272-L305 HydrophobicContact CD2-CD1 4.16Å; L272-L305 HydrophobicContact CD2-CD2 3.55Å; A275-L305 HydrophobicContact CB-CD2 3.62Å; L301-L305 HydrophobicContact CD1-CD1 4.3Å; L301-L305 HydrophobicContact CD1-CG 4.2Å; L301-L305 HydrophobicContact CG-CD1 4Å; L301-L305 HydrophobicContact CG-CG 4.31Å; L301-L305 WeakPolarHBondContact O-CG 3.13Å; L301-L305 PolarHBondContact O-N 3.11Å; F302-L305 HydrophobicContact CD1-CD1 4.19Å; F302-L305 HydrophobicContact CE1-CD1 4.48Å; F302-L305 PolarHBondContact O-N 2.78Å; L305-E307 PolarHBondContact O-N 3.03Å; L305-M308 HydrophobicContact CD2-SD 3.78Å; L305-M308 VanDerWaalsContact O-CB 3.31Å; L305-M308 WeakPolarHBondContact O-CB 3.42Å; L305-M308 PolarHBondContact O-N 3.46Å; L305-I436 HydrophobicContact CB-CD1 4.09Å; L305-I436 HydrophobicContact CB-CG2 3.96Å
306S91.3Very high89.6Confident0 Ų033.9 Ų33.90%017%0.172CC..Hα-helixtrans-61.9-22.8174.180.10000113.3F302 E303 K304 M308 D309 R310F302-S306 PolarHBondContact O-N 2.73Å; E303-S306 WeakPolarHBondContact O-CB 3.36Å; E303-S306 PolarHBondContact O-N 3.09Å; E303-S306 PolarHBondContact O-OG 3.42Å; K304-S306 PolarHBondContact O-N 3.31Å; S306-M308 PolarHBondContact O-N 2.91Å; S306-D309 PolarHBondContact O-N 3.16Å; S306-R310 PolarHBondContact O-N 2.77Å; S306-R310 PolarHBondContact O-NH1 3.1Å; S306-R310 PolarHBondContact OG-NH1 3.23Å; S306-R310 PolarHBondContact OG-NH2 2.95Å
307E89.6Confident88.6Confident73 Ų7330.3 Ų30.334%0.34115%0.149SC..Hα-helixtrans-60-36.5172-65.5173.1-162.500111K304 L305 D309 R310 D311K304-E307 WeakPolarHBondContact CD-OE1 3.47Å; K304-E307 VanDerWaalsContact CE-OE2 3.3Å; K304-E307 WeakPolarHBondContact CE-OE2 3.34Å; K304-E307 IonicContact NZ-OE1 3.28Å; K304-E307 PolarHBondContact NZ-OE1 3.49Å; K304-E307 VanDerWaalsContact NZ-OE1 3.07Å; K304-E307 IonicContact NZ-OE2 3.96Å; K304-E307 PolarHBondContact NZ-OE2 3.41Å; K304-E307 WeakPolarHBondContact O-CB 3.17Å; K304-E307 WeakPolarHBondContact O-CG 3.35Å; K304-E307 PolarHBondContact O-N 2.88Å; L305-E307 PolarHBondContact O-N 3.03Å; E307-D309 VanDerWaalsContact C-N 3.28Å; E307-D309 PolarHBondContact O-N 2.73Å; E307-R310 WeakPolarHBondContact O-CA 3Å; E307-R310 WeakPolarHBondContact O-CB 3.32Å; E307-R310 PolarHBondContact O-N 2.93Å; E307-D311 VanDerWaalsContact O-CG 3.27Å; E307-D311 PolarHBondContact O-N 3.2Å
308M86Confident87.6Confident22 Ų2231 Ų3111%0.10815%0.154CC..Hα-helixtrans-64.1-34.4177.8-59.717863.700112L262 H271 L272 L305 S306 R310 N312L262-M308 HydrophobicContact CD2-CE 3.74Å; L262-M308 HydrophobicContact CD2-SD 4.34Å; H271-M308 HydrophobicContact CB-CE 4.02Å; L272-M308 HydrophobicContact CD2-SD 4.27Å; L305-M308 HydrophobicContact CD2-SD 3.78Å; L305-M308 VanDerWaalsContact O-CB 3.31Å; L305-M308 WeakPolarHBondContact O-CB 3.42Å; L305-M308 PolarHBondContact O-N 3.46Å; S306-M308 PolarHBondContact O-N 2.91Å; M308-R310 VanDerWaalsContact C-N 3.27Å; M308-R310 PolarHBondContact O-N 2.77Å; M308-N312 WeakPolarHBondContact O-CB 3.25Å; M308-N312 PolarHBondContact O-N 3.22Å; M308-N312 PolarHBondContact O-ND2 3.49Å
309D88.1Confident86.6Confident2 Ų235.4 Ų35.41%0.01118%0.178CC..Hα-helixtrans-64.4-37.8175.5-70.7-29.8000111.2S306 E307 F313 F389 F435 I436 T437S306-D309 PolarHBondContact O-N 3.16Å; E307-D309 VanDerWaalsContact C-N 3.28Å; E307-D309 PolarHBondContact O-N 2.73Å; D309-F313 WeakPolarHBondContact O-CB 3.42Å; D309-F313 PolarHBondContact O-N 2.89Å; D309-F389 HydrophobicContact CB-CZ 3.81Å; D309-F435 HydrophobicContact CB-CD1 4.35Å; D309-I436 PolarHBondContact OD2-N 3.05Å; D309-T437 WeakPolarHBondContact CB-OG1 3.46Å; D309-T437 PolarHBondContact OD2-N 2.59Å; D309-T437 PolarHBondContact OD2-OG1 3.35Å
310R86.7Confident85.5Confident49 Ų4935.9 Ų35.919%0.18518%0.176CC..Hα-helixtrans-67.7-47.9177.6-68.5-171.6-78.1-78.26.2111.5S306 E307 M308 N312 F313 I314 W381 F389S306-R310 PolarHBondContact O-N 2.77Å; S306-R310 PolarHBondContact O-NH1 3.1Å; S306-R310 PolarHBondContact OG-NH1 3.23Å; S306-R310 PolarHBondContact OG-NH2 2.95Å; E307-R310 WeakPolarHBondContact O-CA 3Å; E307-R310 WeakPolarHBondContact O-CB 3.32Å; E307-R310 PolarHBondContact O-N 2.93Å; M308-R310 VanDerWaalsContact C-N 3.27Å; M308-R310 PolarHBondContact O-N 2.77Å; R310-N312 VanDerWaalsContact C-N 3.3Å; R310-N312 PolarHBondContact O-N 3.16Å; R310-F313 WeakPolarHBondContact O-CB 3.39Å; R310-F313 PolarHBondContact O-N 3.07Å; R310-I314 WeakPolarHBondContact O-CG1 3.37Å; R310-I314 PolarHBondContact O-N 2.88Å; R310-W381 HydrophobicContact CB-CE3 4.07Å; R310-W381 HydrophobicContact CB-CH2 3.56Å; R310-W381 HydrophobicContact CB-CZ2 4.31Å; R310-W381 HydrophobicContact CB-CZ3 3.41Å; R310-W381 VanDerWaalsContact CB-CZ3 3.41Å; R310-W381 HydrophobicContact CG-CE3 4.39Å; R310-W381 HydrophobicContact CG-CH2 3.36Å; R310-W381 HydrophobicContact CG-CZ2 3.68Å; R310-W381 HydrophobicContact CG-CZ3 3.75Å; R310-F389 HydrophobicContact CG-CD1 4.44Å; R310-F389 HydrophobicContact CG-CE1 4.08Å
311D84.8Confident84.2Confident60 Ų6034.4 Ų34.432%0.32117%0.169SC..Hα-helixtrans-58.7-43.9177.3-60.9-18.2000111.2E307 F313 I314 L315E307-D311 VanDerWaalsContact O-CG 3.27Å; E307-D311 PolarHBondContact O-N 3.2Å; D311-F313 VanDerWaalsContact C-N 3.32Å; D311-F313 PolarHBondContact O-N 3.21Å; D311-I314 PolarHBondContact O-N 3.23Å; D311-L315 WeakPolarHBondContact O-CG 3.33Å; D311-L315 PolarHBondContact O-N 2.87Å; D311-L315 VanDerWaalsContact O-N 3.14Å
312N83.6Confident83Confident15 Ų1541.7 Ų41.78%0.0820%0.203CC..Hα-helixtrans-65.3-35.6176.1-75.5-61.5000112.4N261 H265 M308 R310 L315 V316N261-N312 HydrophobicContact CB-CB 4.04Å; N261-N312 VanDerWaalsContact CB-ND2 3.28Å; N261-N312 WeakPolarHBondContact CB-ND2 3.43Å; H265-N312 PolarHBondContact NE2-OD1 2.8Å; M308-N312 WeakPolarHBondContact O-CB 3.25Å; M308-N312 PolarHBondContact O-N 3.22Å; M308-N312 PolarHBondContact O-ND2 3.49Å; R310-N312 VanDerWaalsContact C-N 3.3Å; R310-N312 PolarHBondContact O-N 3.16Å; N312-L315 PolarHBondContact O-N 2.83Å; N312-V316 VanDerWaalsContact O-CG2 3.31Å; N312-V316 WeakPolarHBondContact O-CG2 3.47Å; N312-V316 PolarHBondContact O-N 3.35Å
313F85.1Confident81.9Confident3 Ų348.3 Ų48.31%0.01324%0.238CC..Hα-helixtrans-65.9-39.2175.7179-111.6000111.7D309 R310 D311 V316 C317 W381 A388 F389 Y392D309-F313 WeakPolarHBondContact O-CB 3.42Å; D309-F313 PolarHBondContact O-N 2.89Å; R310-F313 WeakPolarHBondContact O-CB 3.39Å; R310-F313 PolarHBondContact O-N 3.07Å; D311-F313 VanDerWaalsContact C-N 3.32Å; D311-F313 PolarHBondContact O-N 3.21Å; F313-V316 PolarHBondContact O-N 3.29Å; F313-C317 VanDerWaalsContact CZ-SG 3.57Å; F313-C317 PolarHBondContact O-N 2.98Å; F313-C317 PolarHBondContact O-SG 3.35Å; F313-W381 HydrophobicContact CD1-CH2 4.22Å; F313-A388 HydrophobicContact CE1-CB 4.28Å; F313-A388 HydrophobicContact CZ-CB 4.01Å; F313-F389 HydrophobicContact CB-CD2 3.72Å; F313-F389 HydrophobicContact CB-CE2 3.96Å; F313-F389 HydrophobicContact CD1-CB 3.77Å; F313-F389 AromaticContact CD1-CD2 3.85Å; F313-F389 HydrophobicContact CD1-CD2 3.85Å; F313-F389 HydrophobicContact CD1-CG 4.1Å; F313-F389 AromaticContact CD2-CD2 3.85Å; F313-F389 HydrophobicContact CD2-CD2 3.85Å; F313-F389 HydrophobicContact CE1-CB 3.73Å; F313-F389 HydrophobicContact CE1-CD2 4.43Å; F313-F389 HydrophobicContact CE2-CD2 4.45Å; F313-F389 HydrophobicContact CG-CB 4.31Å; F313-F389 AromaticContact CG-CD2 3.51Å; F313-F389 HydrophobicContact CG-CD2 3.51Å; F313-F389 HydrophobicContact CG-CE2 4.23Å; F313-F389 HydrophobicContact CG-CG 4.24Å; F313-F389 HydrophobicContact CZ-CB 4.24Å; F313-Y392 AromaticContact CD2-CD1 3.66Å; F313-Y392 HydrophobicContact CD2-CD1 3.66Å; F313-Y392 HydrophobicContact CD2-CD2 4.3Å; F313-Y392 HydrophobicContact CD2-CE1 4.15Å; F313-Y392 AromaticContact CD2-CG 3.74Å; F313-Y392 HydrophobicContact CD2-CG 3.74Å; F313-Y392 AromaticContact CE2-CD1 4Å; F313-Y392 HydrophobicContact CE2-CD1 4Å; F313-Y392 HydrophobicContact CE2-CD2 4.06Å; F313-Y392 AromaticContact CE2-CG 3.59Å; F313-Y392 HydrophobicContact CE2-CG 3.59Å
314I83.1Confident80.8Confident21 Ų2146.7 Ų46.711%0.10824%0.235CC..Hα-helixtrans-58.4-50.5174.3-66.3167.9000110.1R310 D311 V316 C317 E318 Y377 W381R310-I314 WeakPolarHBondContact O-CG1 3.37Å; R310-I314 PolarHBondContact O-N 2.88Å; D311-I314 PolarHBondContact O-N 3.23Å; I314-V316 VanDerWaalsContact C-N 3.32Å; I314-V316 PolarHBondContact O-N 3.05Å; I314-C317 WeakPolarHBondContact O-CA 3.19Å; I314-C317 WeakPolarHBondContact O-CB 3.47Å; I314-C317 PolarHBondContact O-N 3.07Å; I314-E318 HydrophobicContact CG2-CG 4.35Å; I314-E318 WeakPolarHBondContact O-CG 3.21Å; I314-E318 PolarHBondContact O-N 3.47Å; I314-Y377 HydrophobicContact CG2-CD1 4.29Å; I314-Y377 HydrophobicContact CG2-CE1 4.33Å; I314-W381 HydrophobicContact CD1-CE3 4.11Å; I314-W381 HydrophobicContact CD1-CZ3 4.2Å; I314-W381 HydrophobicContact CG1-CE3 4.42Å; I314-W381 HydrophobicContact CG1-CZ3 4.11Å
315L81Confident79.1Confident72 Ų7247.4 Ų47.438%0.37726%0.257SS..Hα-helixtrans-57.3-42.7177.4-67.1174.1000112.5D311 N312 C317 E318 D319D311-L315 WeakPolarHBondContact O-CG 3.33Å; D311-L315 PolarHBondContact O-N 2.87Å; D311-L315 VanDerWaalsContact O-N 3.14Å; N312-L315 PolarHBondContact O-N 2.83Å; L315-C317 PolarHBondContact O-N 3.15Å; L315-E318 PolarHBondContact O-N 3.22Å; L315-D319 WeakPolarHBondContact O-CB 3.41Å; L315-D319 PolarHBondContact O-N 3.45Å
316V77.9Confident77.4Confident30 Ų3048.8 Ų48.818%0.18227%0.267CS..Hα-helixtrans-61.6-34.7175.7169.30000111.5N312 F313 I314 F320 I338N312-V316 VanDerWaalsContact O-CG2 3.31Å; N312-V316 WeakPolarHBondContact O-CG2 3.47Å; N312-V316 PolarHBondContact O-N 3.35Å; F313-V316 PolarHBondContact O-N 3.29Å; I314-V316 VanDerWaalsContact C-N 3.32Å; I314-V316 PolarHBondContact O-N 3.05Å; V316-F320 PolarHBondContact O-N 2.95Å; V316-I338 HydrophobicContact CG1-CG2 4.47Å
317C74.6Confident75.5Confident3 Ų355.1 Ų55.12%0.0230%0.301CS..Hα-helixtrans-72.4-44.7177.2-62.90000112.2F313 I314 L315 F320 V321 Y335 I338F313-C317 VanDerWaalsContact CZ-SG 3.57Å; F313-C317 PolarHBondContact O-N 2.98Å; F313-C317 PolarHBondContact O-SG 3.35Å; I314-C317 WeakPolarHBondContact O-CA 3.19Å; I314-C317 WeakPolarHBondContact O-CB 3.47Å; I314-C317 PolarHBondContact O-N 3.07Å; L315-C317 PolarHBondContact O-N 3.15Å; C317-F320 PolarHBondContact O-N 3.28Å; C317-V321 WeakPolarHBondContact O-CG2 3.31Å; C317-V321 PolarHBondContact O-N 3.15Å; C317-Y335 HydrophobicContact CB-CD1 3.97Å; C317-Y335 HydrophobicContact CB-CE1 3.6Å; C317-Y335 VanDerWaalsContact SG-CD1 3.52Å; C317-I338 HydrophobicContact CB-CD1 3.78Å
318E74.5Confident73.6Confident66 Ų6660.1 Ų60.131%0.30833%0.325SS..Hα-helixtrans-59.3-47.7176.6-69.2178.6158.900111.4I314 L315 F320 V321 H322 Y377I314-E318 HydrophobicContact CG2-CG 4.35Å; I314-E318 WeakPolarHBondContact O-CG 3.21Å; I314-E318 PolarHBondContact O-N 3.47Å; L315-E318 PolarHBondContact O-N 3.22Å; E318-F320 VanDerWaalsContact C-N 3.25Å; E318-F320 PolarHBondContact O-N 3.44Å; E318-V321 PolarHBondContact O-N 3.49Å; E318-V321 VanDerWaalsContact O-N 3.16Å; E318-H322 PolarHBondContact O-CD2 2.89Å; E318-H322 PolarHBondContact O-N 3.33Å; E318-Y377 PolarHBondContact OE1-OH 3.22Å
319D73.6Confident71.8Confident93 Ų9366.4 Ų66.450%0.49736%0.357SS..Hα-helixtrans-55.9-41.4176-80.6-16.4000111.7L315 H322 L323L315-D319 WeakPolarHBondContact O-CB 3.41Å; L315-D319 PolarHBondContact O-N 3.45Å; D319-H322 PolarHBondContact O-N 3.13Å; D319-L323 WeakPolarHBondContact O-CB 3.4Å; D319-L323 VanDerWaalsContact O-CG 3.24Å; D319-L323 WeakPolarHBondContact O-CG 3.4Å; D319-L323 PolarHBondContact O-N 3.15Å
320F70.3Confident69.8Low32 Ų3269.6 Ų69.614%0.1437%0.373CS..Hα-helixtrans-70-40178.9-177.1-84.3000112.7V316 C317 E318 H322 L323 T324 T334 A337 I338 F341V316-F320 PolarHBondContact O-N 2.95Å; C317-F320 PolarHBondContact O-N 3.28Å; E318-F320 VanDerWaalsContact C-N 3.25Å; E318-F320 PolarHBondContact O-N 3.44Å; F320-H322 VanDerWaalsContact C-N 3.32Å; F320-L323 PolarHBondContact O-N 2.95Å; F320-T324 HydrophobicContact CD1-CG2 4.03Å; F320-T324 HydrophobicContact CD2-CG2 4.44Å; F320-T324 HydrophobicContact CE1-CG2 3.64Å; F320-T324 HydrophobicContact CE2-CG2 4.05Å; F320-T324 HydrophobicContact CG-CG2 4.45Å; F320-T324 HydrophobicContact CZ-CG2 3.66Å; F320-T324 WeakPolarHBondContact O-CG2 3.08Å; F320-T324 PolarHBondContact O-N 3.11Å; F320-T324 PolarHBondContact O-OG1 3.11Å; F320-T334 HydrophobicContact CD1-CG2 3.27Å; F320-T334 HydrophobicContact CE1-CG2 3.62Å; F320-T334 HydrophobicContact CG-CG2 4.41Å; F320-A337 HydrophobicContact CE1-CB 4.46Å; F320-I338 HydrophobicContact CB-CD1 3.86Å; F320-I338 HydrophobicContact CB-CG1 3.7Å; F320-I338 HydrophobicContact CD1-CD1 3.97Å; F320-I338 HydrophobicContact CD1-CG1 3.43Å; F320-I338 VanDerWaalsContact CD1-CG1 3.43Å; F320-I338 HydrophobicContact CD2-CG1 3.82Å; F320-I338 HydrophobicContact CE1-CG1 3.89Å; F320-I338 HydrophobicContact CE2-CG1 4.27Å; F320-I338 HydrophobicContact CG-CD1 3.99Å; F320-I338 HydrophobicContact CG-CG1 3.35Å; F320-I338 HydrophobicContact CZ-CG1 4.28Å; F320-F341 HydrophobicContact CE2-CB 3.62Å; F320-F341 AromaticContact CE2-CD1 3.73Å; F320-F341 HydrophobicContact CE2-CD1 3.73Å; F320-F341 AromaticContact CE2-CG 3.76Å; F320-F341 HydrophobicContact CE2-CG 3.76Å; F320-F341 HydrophobicContact CZ-CB 3.88Å; F320-F341 HydrophobicContact CZ-CD1 4.25Å; F320-F341 HydrophobicContact CZ-CD2 4.38Å; F320-F341 AromaticContact CZ-CG 3.94Å; F320-F341 HydrophobicContact CZ-CG 3.94Å
321V69.7Low67.8Low26 Ų2668.8 Ų68.816%0.15837%0.374CS..Hα-helixtrans-59.8-46.8174.4172.50000109.7C317 E318 L323 T324 G325 V331 T334C317-V321 WeakPolarHBondContact O-CG2 3.31Å; C317-V321 PolarHBondContact O-N 3.15Å; E318-V321 PolarHBondContact O-N 3.49Å; E318-V321 VanDerWaalsContact O-N 3.16Å; V321-L323 PolarHBondContact O-N 2.87Å; V321-T324 PolarHBondContact O-N 2.9Å; V321-T324 PolarHBondContact O-OG1 2.97Å; V321-G325 PolarHBondContact O-N 3.01Å; V321-V331 HydrophobicContact CG1-CG2 3.96Å; V321-V331 HydrophobicContact CG2-CB 4.46Å; V321-V331 HydrophobicContact CG2-CG1 4.33Å; V321-V331 HydrophobicContact CG2-CG2 3.86Å; V321-T334 HydrophobicContact CG2-CG2 3.55Å
322H70.3Confident66.1Low156 Ų15672.7 Ų72.772%0.72239%0.388SS*.Hα-helixtrans-60.3-43.8176.8-79.8-58.8000113E318 D319 F320E318-H322 PolarHBondContact O-CD2 2.89Å; E318-H322 PolarHBondContact O-N 3.33Å; D319-H322 PolarHBondContact O-N 3.13Å; F320-H322 VanDerWaalsContact C-N 3.32Å
323L69.5Low64.5Low142 Ų14278.4 Ų78.474%0.74342%0.415SS*.Hα-helixtrans-70.8-32.2-178.8-74.7169.1000113.6D319 F320 V321D319-L323 WeakPolarHBondContact O-CB 3.4Å; D319-L323 VanDerWaalsContact O-CG 3.24Å; D319-L323 WeakPolarHBondContact O-CG 3.4Å; D319-L323 PolarHBondContact O-N 3.15Å; F320-L323 PolarHBondContact O-N 2.95Å; V321-L323 PolarHBondContact O-N 2.87Å
324T71.1Confident62.7Low59 Ų5978.4 Ų78.436%0.36242%0.415SS..Hα-helixtrans-88.3-12-178.157.10000113.9F320 V321 S326F320-T324 HydrophobicContact CD1-CG2 4.03Å; F320-T324 HydrophobicContact CD2-CG2 4.44Å; F320-T324 HydrophobicContact CE1-CG2 3.64Å; F320-T324 HydrophobicContact CE2-CG2 4.05Å; F320-T324 HydrophobicContact CG-CG2 4.45Å; F320-T324 HydrophobicContact CZ-CG2 3.66Å; F320-T324 WeakPolarHBondContact O-CG2 3.08Å; F320-T324 PolarHBondContact O-N 3.11Å; F320-T324 PolarHBondContact O-OG1 3.11Å; V321-T324 PolarHBondContact O-N 2.9Å; V321-T324 PolarHBondContact O-OG1 2.97Å; T324-S326 PolarHBondContact O-N 2.96Å; T324-S326 PolarHBondContact OG1-OG 3.38Å
325G59Low61.2Low70 Ų7079.1 Ų79.172%0.72242%0.416SS*.THydrogen-bonded Turntrans64.826.6-179.600000113.4V321V321-G325 PolarHBondContact O-N 3.01Å
326S56Low59.7Low30 Ų3080 Ų8021%0.2142%0.421CS..  trans-83.1134.8-176-59.10000111.3T324 L330T324-S326 PolarHBondContact O-N 2.96Å; T324-S326 PolarHBondContact OG1-OG 3.38Å; S326-L330 VanDerWaalsContact CB-CD2 3.44Å; S326-L330 WeakPolarHBondContact OG-CD2 3.41Å
327D51.1Low58.3Low134 Ų13480.3 Ų80.372%0.71743%0.427SS*.  trans-55.3152.6176.1-80.2-33.1000112.4I329 L330D327-I329 PolarHBondContact O-N 3.07Å; D327-L330 WeakPolarHBondContact O-CA 3.32Å; D327-L330 VanDerWaalsContact O-CB 3.3Å; D327-L330 WeakPolarHBondContact O-CB 3.39Å; D327-L330 PolarHBondContact O-N 3.29Å
328E49.8Very low57.1Low178 Ų17880.4 Ų80.483%0.83243%0.427SS*.G310 helixtrans-47.1-32.8175.9-85.6178.5156.900113.9L330 V331E328-L330 VanDerWaalsContact C-N 3.27Å; E328-L330 PolarHBondContact O-N 2.62Å; E328-V331 VanDerWaalsContact O-CB 3.3Å; E328-V331 WeakPolarHBondContact O-CB 3.46Å; E328-V331 VanDerWaalsContact O-CG2 3.29Å; E328-V331 WeakPolarHBondContact O-CG2 3.44Å; E328-V331 PolarHBondContact O-N 3.2Å
329I49.1Very low55.7Low154 Ų15477.8 Ų77.879%0.7942%0.416SS*.G310 helixtrans-70.3-26.3178.8-64172.7000111.6D327D327-I329 PolarHBondContact O-N 3.07Å
330L44.3Very low54.3Low68 Ų6878.5 Ų78.536%0.35642%0.423SS..G310 helixtrans-80.5-16.5175.4-149.878.2000112.4S326 D327 E328 K332 Q333 T334S326-L330 VanDerWaalsContact CB-CD2 3.44Å; S326-L330 WeakPolarHBondContact OG-CD2 3.41Å; D327-L330 WeakPolarHBondContact O-CA 3.32Å; D327-L330 VanDerWaalsContact O-CB 3.3Å; D327-L330 WeakPolarHBondContact O-CB 3.39Å; D327-L330 PolarHBondContact O-N 3.29Å; E328-L330 VanDerWaalsContact C-N 3.27Å; E328-L330 PolarHBondContact O-N 2.62Å; L330-K332 PolarHBondContact O-N 3.48Å; L330-Q333 HydrophobicContact CD1-CB 4.23Å; L330-Q333 VanDerWaalsContact CD1-OE1 3.26Å; L330-Q333 HydrophobicContact CG-CB 4.27Å; L330-Q333 CarbonylContact O-C 3.58Å; L330-Q333 WeakPolarHBondContact O-CA 3.39Å; L330-Q333 PolarHBondContact O-N 3.15Å; L330-T334 VanDerWaalsContact O-CB 3.3Å; L330-T334 WeakPolarHBondContact O-CB 3.32Å; L330-T334 PolarHBondContact O-N 3.42Å; L330-T334 PolarHBondContact O-OG1 3.35Å
331V46.5Very low53Low33 Ų3382.3 Ų82.320%0.244%0.44CS..Hα-helixtrans-49.5-37.4176.6178.10000111.4V321 E328 T334 Y335V321-V331 HydrophobicContact CG1-CG2 3.96Å; V321-V331 HydrophobicContact CG2-CB 4.46Å; V321-V331 HydrophobicContact CG2-CG1 4.33Å; V321-V331 HydrophobicContact CG2-CG2 3.86Å; E328-V331 VanDerWaalsContact O-CB 3.3Å; E328-V331 WeakPolarHBondContact O-CB 3.46Å; E328-V331 VanDerWaalsContact O-CG2 3.29Å; E328-V331 WeakPolarHBondContact O-CG2 3.44Å; E328-V331 PolarHBondContact O-N 3.2Å; V331-T334 VanDerWaalsContact O-CB 3.31Å; V331-T334 WeakPolarHBondContact O-CB 3.43Å; V331-T334 PolarHBondContact O-N 3.03Å; V331-Y335 HydrophobicContact CG1-CD2 4.45Å; V331-Y335 HydrophobicContact CG1-CE2 3.63Å; V331-Y335 WeakPolarHBondContact O-CD2 3.24Å; V331-Y335 WeakPolarHBondContact O-CE2 3.34Å; V331-Y335 PolarHBondContact O-N 3.13Å; V331-Y335 VanDerWaalsContact O-N 3.07Å
332K47.8Very low51.6Low142 Ų14287.5 Ų87.562%0.61746%0.46SS*.Hα-helixtrans-64.9-37.6174.7-66.1-171.9177.2-169.60114.6L330L330-K332 PolarHBondContact O-N 3.48Å
333Q49.8Very low50.1Low135 Ų13585.4 Ų85.463%0.63146%0.463SS*.Hα-helixtrans-82.2-26.2173.6-65.8-176.5-3.600111.7L330 L336 A337L330-Q333 HydrophobicContact CD1-CB 4.23Å; L330-Q333 VanDerWaalsContact CD1-OE1 3.26Å; L330-Q333 HydrophobicContact CG-CB 4.27Å; L330-Q333 CarbonylContact O-C 3.58Å; L330-Q333 WeakPolarHBondContact O-CA 3.39Å; L330-Q333 PolarHBondContact O-N 3.15Å; Q333-L336 WeakPolarHBondContact O-CB 3.48Å; Q333-L336 PolarHBondContact O-N 3.22Å; Q333-A337 PolarHBondContact O-N 3.09Å
334T47.2Very low48.6Very low3 Ų381.7 Ų81.72%0.01846%0.459CS..Hα-helixtrans-65.2-39.2177.6-65.10000111.9F320 V321 L330 V331 L336 A337 I338F320-T334 HydrophobicContact CD1-CG2 3.27Å; F320-T334 HydrophobicContact CE1-CG2 3.62Å; F320-T334 HydrophobicContact CG-CG2 4.41Å; V321-T334 HydrophobicContact CG2-CG2 3.55Å; L330-T334 VanDerWaalsContact O-CB 3.3Å; L330-T334 WeakPolarHBondContact O-CB 3.32Å; L330-T334 PolarHBondContact O-N 3.42Å; L330-T334 PolarHBondContact O-OG1 3.35Å; V331-T334 VanDerWaalsContact O-CB 3.31Å; V331-T334 WeakPolarHBondContact O-CB 3.43Å; V331-T334 PolarHBondContact O-N 3.03Å; T334-L336 PolarHBondContact O-N 2.85Å; T334-A337 CarbonylContact O-C 3.5Å; T334-A337 PolarHBondContact O-N 3.04Å; T334-I338 HydrophobicContact CG2-CD1 3.76Å; T334-I338 HydrophobicContact CG2-CG1 4.12Å; T334-I338 WeakPolarHBondContact O-CD1 3.44Å; T334-I338 VanDerWaalsContact O-CG1 3.25Å; T334-I338 WeakPolarHBondContact O-CG1 3.42Å; T334-I338 PolarHBondContact O-N 3.15Å
335Y51.6Low46.7Very low35 Ų3584.4 Ų84.414%0.13747%0.47CS..Hα-helixtrans-55.1-38.7172.4-68.7-59.8000112.6C317 V331 C339 M385 A388C317-Y335 HydrophobicContact CB-CD1 3.97Å; C317-Y335 HydrophobicContact CB-CE1 3.6Å; C317-Y335 VanDerWaalsContact SG-CD1 3.52Å; V331-Y335 HydrophobicContact CG1-CD2 4.45Å; V331-Y335 HydrophobicContact CG1-CE2 3.63Å; V331-Y335 WeakPolarHBondContact O-CD2 3.24Å; V331-Y335 WeakPolarHBondContact O-CE2 3.34Å; V331-Y335 PolarHBondContact O-N 3.13Å; V331-Y335 VanDerWaalsContact O-N 3.07Å; Y335-C339 PolarHBondContact O-SG 3.3Å; Y335-M385 HydrophobicContact CE2-CE 4.29Å; Y335-M385 HydrophobicContact CE2-CG 4.39Å; Y335-M385 WeakPolarHBondContact OH-CE 3.49Å; Y335-A388 HydrophobicContact CG-CB 4.43Å
336L49.5Very low45.3Very low92 Ų9289 Ų8948%0.48247%0.472SS..Hα-helixtrans-77.5-35.7174.4-166.373.8000112Q333 T334 C339 K391Q333-L336 WeakPolarHBondContact O-CB 3.48Å; Q333-L336 PolarHBondContact O-N 3.22Å; T334-L336 PolarHBondContact O-N 2.85Å; L336-C339 WeakPolarHBondContact O-CB 3.39Å; L336-C339 PolarHBondContact O-N 3.29Å; L336-K391 HydrophobicContact CD1-CD 3.89Å
337A49.1Very low44.1Very low36 Ų3692.2 Ų92.230%0.29849%0.487SS..Hα-helixtrans-68.8-36.7178.900000112.9F320 Q333 T334 C339 V340 F341F320-A337 HydrophobicContact CE1-CB 4.46Å; Q333-A337 PolarHBondContact O-N 3.09Å; T334-A337 CarbonylContact O-C 3.5Å; T334-A337 PolarHBondContact O-N 3.04Å; A337-C339 PolarHBondContact O-N 2.97Å; A337-V340 CarbonylContact O-C 3.54Å; A337-V340 WeakPolarHBondContact O-CA 3.44Å; A337-V340 PolarHBondContact O-N 3.47Å; A337-F341 WeakPolarHBondContact O-CB 3.41Å; A337-F341 PolarHBondContact O-N 3Å
338I50.1Low43Very low4 Ų493.8 Ų93.82%0.02149%0.491CS..Hα-helixtrans-57.7-38.5173.9-70156.8000110.7V316 C317 F320 T334 V340 F341V316-I338 HydrophobicContact CG1-CG2 4.47Å; C317-I338 HydrophobicContact CB-CD1 3.78Å; F320-I338 HydrophobicContact CB-CD1 3.86Å; F320-I338 HydrophobicContact CB-CG1 3.7Å; F320-I338 HydrophobicContact CD1-CD1 3.97Å; F320-I338 HydrophobicContact CD1-CG1 3.43Å; F320-I338 VanDerWaalsContact CD1-CG1 3.43Å; F320-I338 HydrophobicContact CD2-CG1 3.82Å; F320-I338 HydrophobicContact CE1-CG1 3.89Å; F320-I338 HydrophobicContact CE2-CG1 4.27Å; F320-I338 HydrophobicContact CG-CD1 3.99Å; F320-I338 HydrophobicContact CG-CG1 3.35Å; F320-I338 HydrophobicContact CZ-CG1 4.28Å; T334-I338 HydrophobicContact CG2-CD1 3.76Å; T334-I338 HydrophobicContact CG2-CG1 4.12Å; T334-I338 WeakPolarHBondContact O-CD1 3.44Å; T334-I338 VanDerWaalsContact O-CG1 3.25Å; T334-I338 WeakPolarHBondContact O-CG1 3.42Å; T334-I338 PolarHBondContact O-N 3.15Å; I338-V340 PolarHBondContact O-N 3Å; I338-F341 PolarHBondContact O-N 3.1Å
339C44Very low41.9Very low12 Ų1291 Ų918%0.08149%0.485CS..Hα-helixtrans-65-16.8174.6-59.60000113Y335 L336 A337 A388 K391 N395Y335-C339 PolarHBondContact O-SG 3.3Å; L336-C339 WeakPolarHBondContact O-CB 3.39Å; L336-C339 PolarHBondContact O-N 3.29Å; A337-C339 PolarHBondContact O-N 2.97Å; C339-A388 PolarHBondContact SG-O 3.16Å; C339-A388 VanDerWaalsContact SG-O 3.38Å; C339-K391 HydrophobicContact CB-CB 4.12Å; C339-K391 VanDerWaalsContact SG-CB 3.57Å; C339-N395 PolarHBondContact O-ND2 3.24Å
340V44Very low41.1Very low107 Ų10788.7 Ų88.765%0.64848%0.478SS*.Hα-helixtrans-105.4-31.8178.7-179.50000111.8A337 I338A337-V340 CarbonylContact O-C 3.54Å; A337-V340 WeakPolarHBondContact O-CA 3.44Å; A337-V340 PolarHBondContact O-N 3.47Å; I338-V340 PolarHBondContact O-N 3Å
341F42.6Very low40.2Very low112 Ų11291.9 Ų91.949%0.49150%0.496SS..Hα-helixtrans-83.8-27.2-166.5-142.4-96.1000114.4F320 A337 I338 S343 G344 I345F320-F341 HydrophobicContact CE2-CB 3.62Å; F320-F341 AromaticContact CE2-CD1 3.73Å; F320-F341 HydrophobicContact CE2-CD1 3.73Å; F320-F341 AromaticContact CE2-CG 3.76Å; F320-F341 HydrophobicContact CE2-CG 3.76Å; F320-F341 HydrophobicContact CZ-CB 3.88Å; F320-F341 HydrophobicContact CZ-CD1 4.25Å; F320-F341 HydrophobicContact CZ-CD2 4.38Å; F320-F341 AromaticContact CZ-CG 3.94Å; F320-F341 HydrophobicContact CZ-CG 3.94Å; A337-F341 WeakPolarHBondContact O-CB 3.41Å; A337-F341 PolarHBondContact O-N 3Å; I338-F341 PolarHBondContact O-N 3.1Å; F341-S343 PolarHBondContact O-N 3.02Å; F341-S343 VanDerWaalsContact O-N 3.15Å; F341-G344 PolarHBondContact O-N 3.44Å; F341-I345 HydrophobicContact CD1-CD1 4.15Å; F341-I345 HydrophobicContact CE1-CD1 3.62Å
342K41.9Very low39.7Very low136 Ų13692.4 Ų92.459%0.59150%0.501SS*.THydrogen-bonded Turntrans-71.8-1.2176.9-94.2-166.6175.3-178.40114.7G344K342-G344 PolarHBondContact O-N 2.72Å
343S37.6Very low38.8Very low112 Ų11290.4 Ų90.478%0.78351%0.505SS*.THydrogen-bonded Turntrans-735.1169.1-53.20000114.4F341F341-S343 PolarHBondContact O-N 3.02Å; F341-S343 VanDerWaalsContact O-N 3.15Å
344G37.8Very low38Very low64 Ų6489.8 Ų89.866%0.6651%0.51SS*.SBendtrans-152.76.1-171.900000120.2F341 K342F341-G344 PolarHBondContact O-N 3.44Å; K342-G344 PolarHBondContact O-N 2.72Å
345I32.6Very low37.3Very low116 Ų11697 Ų9760%0.59554%0.544SS*.  trans-126.6112.3178.2-58.9-175.1000111.7F341F341-I345 HydrophobicContact CD1-CD1 4.15Å; F341-I345 HydrophobicContact CE1-CD1 3.62Å
346H28.9Very low36.6Very low165 Ų16597.3 Ų97.376%0.76455%0.554SS**  trans-62.1138.6171.6-115.8-69.3000112.2Q348H346-Q348 PolarHBondContact O-N 2.76Å
347D30.2Very low35.9Very low98 Ų9896.3 Ų96.352%0.52456%0.555SS.*  trans10.898.9156.6-58.7-55.2000117.2
348Q27.8Very low35.5Very low168 Ų16897.1 Ų97.179%0.78556%0.557SS**  trans-111.3117152.8-70.5-167.67.500109.3H346 V350H346-Q348 PolarHBondContact O-N 2.76Å; Q348-V350 PolarHBondContact O-N 2.81Å
349V28.4Very low34.7Very low118 Ų118103.4 Ų103.472%0.71558%0.581SS**  trans-61.1116.6178.2177.20000109D351V349-D351 PolarHBondContact O-N 3.42Å; V349-D351 VanDerWaalsContact O-N 3.12Å
350V31.1Very low34.4Very low107 Ų107106 Ų10665%0.64859%0.592SS**  trans-66.3109.1170-177.40000108.7Q348 S352Q348-V350 PolarHBondContact O-N 2.81Å; V350-S352 PolarHBondContact O-N 3.07Å
351D25.5Very low34.1Very low135 Ų135101.5 Ų101.572%0.72256%0.564SS**  trans-69.8107168.4-17312000108.9V349V349-D351 PolarHBondContact O-N 3.42Å; V349-D351 VanDerWaalsContact O-N 3.12Å
352S35.5Very low33.9Very low44 Ų4498.1 Ų98.131%0.30855%0.548SS..  trans-114.679.2172.737.80000107.7V350 T354 R497V350-S352 PolarHBondContact O-N 3.07Å; S352-T354 VanDerWaalsContact C-N 3.25Å; S352-R497 PolarHBondContact OG-NH2 2.95Å
353S29.2Very low33.8Very low99 Ų9993.3 Ų93.369%0.69253%0.532SS*.  trans-83.67.5175.649.10000113.7E355S353-E355 PolarHBondContact O-N 3.38Å
354T33.2Very low33.6Very low122 Ų12290.2 Ų90.275%0.74852%0.517SS*.  trans-88.893.3169.226.40000110.5S352 A356S352-T354 VanDerWaalsContact C-N 3.25Å; T354-A356 PolarHBondContact O-N 2.96Å
355E33.2Very low33.3Very low154 Ų15493.9 Ų93.972%0.7252%0.515SS*.  trans-59.5106.2166.9-70.8-165.4151.300109.4K219 S353K219-E355 IonicContact NZ-OE1 3.11Å; K219-E355 PolarHBondContact NZ-OE1 3.47Å; K219-E355 IonicContact NZ-OE2 2.63Å; K219-E355 PolarHBondContact NZ-OE2 3.47Å; S353-E355 PolarHBondContact O-N 3.38Å
356A35.8Very low33.4Very low43 Ų4391.3 Ų91.336%0.35551%0.505SS..  trans-60.8139.8170.600000110.3T354T354-A356 PolarHBondContact O-N 2.96Å
357S36.1Very low33.6Very low71 Ų7189.4 Ų89.450%0.49749%0.491SS..  trans-69.3130.7177.2173.30000109.8Y359 E360S357-Y359 PolarHBondContact O-N 2.8Å; S357-E360 PolarHBondContact O-N 3.44Å; S357-E360 VanDerWaalsContact O-N 3.15Å
358P39.1Very low33.8Very low53 Ų5393.2 Ų93.234%0.34450%0.503SS..THydrogen-bonded Turntrans-58.9-5.9-179.2-25.334.7000115.6L222L222-P358 HydrophobicContact CD1-CB 3.55Å; L222-P358 VanDerWaalsContact CD1-O 3.22Å; L222-P358 WeakPolarHBondContact CD1-O 3.5Å; L222-P358 HydrophobicContact CD2-CB 3.9Å; L222-P358 HydrophobicContact CG-CB 4.06Å
359Y34.7Very low34.3Very low136 Ų13689.3 Ų89.353%0.53349%0.487SS..THydrogen-bonded Turntrans-65.2-34.6173.8-148.5-83.4000113.3L222 P223 S357 S363L222-Y359 HydrophobicContact CD2-CD2 4.17Å; P223-Y359 VanDerWaalsContact CD-CE2 3.47Å; P223-Y359 HydrophobicContact CG-CD2 4.1Å; P223-Y359 HydrophobicContact CG-CE2 3.21Å; S357-Y359 PolarHBondContact O-N 2.8Å; Y359-S363 PolarHBondContact O-OG 3.4Å
360E37.7Very low34.6Very low66 Ų6686.2 Ų86.231%0.30847%0.467SS..G310 helixtrans-76.9-31.3-179.4-70.6175.6167.200111.6S357 W362S357-E360 PolarHBondContact O-N 3.44Å; S357-E360 VanDerWaalsContact O-N 3.15Å; E360-W362 PolarHBondContact O-N 2.99Å
361F37.2Very low34.9Very low13 Ų1383.2 Ų83.26%0.05745%0.451CS..G310 helixtrans-61.9-7.4-173.5-174.8-104.2000115L9 Q266 N267 L269 P270L9-F361 HydrophobicContact CD1-CD1 3.55Å; L9-F361 HydrophobicContact CD1-CE1 3.39Å; L9-F361 HydrophobicContact CD1-CG 4.38Å; L9-F361 HydrophobicContact CD1-CZ 4.02Å; L9-F361 HydrophobicContact CD2-CD1 4.13Å; L9-F361 HydrophobicContact CD2-CE1 3.07Å; L9-F361 HydrophobicContact CD2-CE2 4.12Å; L9-F361 HydrophobicContact CD2-CZ 3.09Å; L9-F361 HydrophobicContact CG-CD1 4.07Å; L9-F361 HydrophobicContact CG-CE1 3.4Å; L9-F361 VanDerWaalsContact CG-CE1 3.4Å; L9-F361 HydrophobicContact CG-CZ 3.95Å; Q266-F361 WeakPolarHBondContact O-CE2 3.25Å; N267-F361 HydrophobicContact CB-CD2 4.47Å; N267-F361 WeakPolarHBondContact OD1-CD2 3.23Å; L269-F361 HydrophobicContact CB-CZ 4.5Å; P270-F361 HydrophobicContact CG-CD2 3.9Å; P270-F361 HydrophobicContact CG-CE2 3.83Å; P270-F361 HydrophobicContact CG-CG 4.35Å; P270-F361 HydrophobicContact CG-CZ 4.15Å; P270-F361 WeakPolarHBondContact CG-O 3.42Å
362W37.8Very low35.2Very low40 Ų4081.5 Ų81.515%0.15244%0.441CS..G310 helixtrans-165.129.6168.6-2849.5000115.2F6 L9 R13 E360F6-W362 HydrophobicContact CE2-CH2 4.05Å; F6-W362 HydrophobicContact CE2-CZ2 4.4Å; L9-W362 HydrophobicContact CD2-CZ2 4.35Å; L9-W362 HydrophobicContact CG-CZ2 4.45Å; R13-W362 VanDerWaalsContact NE-CD1 3.26Å; R13-W362 VanDerWaalsContact NH1-CB 3.31Å; R13-W362 VanDerWaalsContact NH2-CG 3.33Å; R13-W362 PolarHBondContact NH2-O 2.75Å; E360-W362 PolarHBondContact O-N 2.99Å
363S41.2Very low35.3Very low36 Ų3682.1 Ų82.125%0.25244%0.441SS..SBendtrans-78-5.7166.959.80000111.8Y359 K365Y359-S363 PolarHBondContact O-OG 3.4Å; S363-K365 PolarHBondContact O-N 3.3Å; S363-K365 VanDerWaalsContact O-N 3.07Å; S363-K365 VanDerWaalsContact OG-CB 3.31Å; S363-K365 WeakPolarHBondContact OG-CB 3.37Å; S363-K365 PolarHBondContact OG-N 3.22Å
364G32.1Very low36Very low47 Ų4780.7 Ų80.749%0.48543%0.43SS..SBendtrans63.52-165.400000112.7
365K32.2Very low36.2Very low141 Ų14182.8 Ų82.861%0.61343%0.432SS*.  trans-90112.1172.7-57.2-174.8174-173.80106.8S363S363-K365 PolarHBondContact O-N 3.3Å; S363-K365 VanDerWaalsContact O-N 3.07Å; S363-K365 VanDerWaalsContact OG-CB 3.31Å; S363-K365 WeakPolarHBondContact OG-CB 3.37Å; S363-K365 PolarHBondContact OG-N 3.22Å
366T34.1Very low36.6Very low62 Ų6280.6 Ų80.638%0.3843%0.425SS..  trans-51.8149.5152.242.50000108K368 D370T366-K368 PolarHBondContact O-N 3.44Å; T366-D370 HydrophobicContact CG2-CB 4.32Å
367R33.8Very low37Very low125 Ų12581.9 Ų81.947%0.47242%0.421SS..  trans-47146.2170.7-166.4174.5157.5175.7-10.4107.6D369 D370 S371R367-D369 HydrophobicContact CG-CB 3.98Å; R367-D369 IonicContact CZ-OD2 3.74Å; R367-D369 IonicContact NE-OD2 2.65Å; R367-D369 PolarHBondContact NE-OD2 2.9Å; R367-D369 IonicContact NH2-OD2 3.07Å; R367-D369 PolarHBondContact NH2-OD2 3.32Å; R367-D369 PolarHBondContact O-N 3.33Å; R367-D369 VanDerWaalsContact O-N 3.1Å; R367-D370 HydrophobicContact CB-CB 3.89Å; R367-D370 WeakPolarHBondContact CB-OD2 3.47Å; R367-D370 CarbonylContact O-C 3.51Å; R367-D370 WeakPolarHBondContact O-CA 3.3Å; R367-D370 PolarHBondContact O-N 3.02Å; R367-S371 PolarHBondContact O-N 3.22Å; R367-S371 PolarHBondContact O-OG 3Å
368K34.8Very low37.6Very low177 Ų17782 Ų8277%0.7743%0.427SS*.Hα-helixtrans-53.6-31.9171-92.3-172.1171.2-169.50111T366 S371 D372T366-K368 PolarHBondContact O-N 3.44Å; K368-S371 PolarHBondContact O-OG 3.04Å; K368-D372 VanDerWaalsContact O-CG 3.3Å; K368-D372 PolarHBondContact O-N 2.79Å
369D36.8Very low38.3Very low86 Ų8684.3 Ų84.346%0.4644%0.444SS..Hα-helixtrans-72.2-24.2172.6-56-19.4000113.6R367 I373R367-D369 HydrophobicContact CG-CB 3.98Å; R367-D369 IonicContact CZ-OD2 3.74Å; R367-D369 IonicContact NE-OD2 2.65Å; R367-D369 PolarHBondContact NE-OD2 2.9Å; R367-D369 IonicContact NH2-OD2 3.07Å; R367-D369 PolarHBondContact NH2-OD2 3.32Å; R367-D369 PolarHBondContact O-N 3.33Å; R367-D369 VanDerWaalsContact O-N 3.1Å; D369-I373 WeakPolarHBondContact O-CG1 3.46Å
370D36Very low39.6Very low53 Ų5383.1 Ų83.128%0.28344%0.444SS..Hα-helixtrans-88.8-28177.5-69.8-17.5000112.1T366 R367 D372 I373T366-D370 HydrophobicContact CG2-CB 4.32Å; R367-D370 HydrophobicContact CB-CB 3.89Å; R367-D370 WeakPolarHBondContact CB-OD2 3.47Å; R367-D370 CarbonylContact O-C 3.51Å; R367-D370 WeakPolarHBondContact O-CA 3.3Å; R367-D370 PolarHBondContact O-N 3.02Å; D370-D372 PolarHBondContact O-N 3.41Å; D370-I373 PolarHBondContact O-N 3.25Å; D370-I373 VanDerWaalsContact O-N 3.16Å
371S36.4Very low41.3Very low45 Ų4582.6 Ų82.632%0.31544%0.439SS..Hα-helixtrans-65.4-28.5168.251.70000112R367 K368 I373R367-S371 PolarHBondContact O-N 3.22Å; R367-S371 PolarHBondContact O-OG 3Å; K368-S371 PolarHBondContact O-OG 3.04Å; S371-I373 VanDerWaalsContact C-N 3.29Å
372D33.4Very low43.4Very low98 Ų9885.1 Ų85.152%0.52445%0.453SS..Hα-helixtrans-74.7-19.9173.8-67.4-9.1000111.5K368 D370K368-D372 VanDerWaalsContact O-CG 3.3Å; K368-D372 PolarHBondContact O-N 2.79Å; D370-D372 PolarHBondContact O-N 3.41Å
373I37.6Very low45.4Very low58 Ų5889.3 Ų89.330%0.29748%0.478SS..Hα-helixtrans-75.1-33.5176-60.8168.7000111.8D369 D370 S371 Y377D369-I373 WeakPolarHBondContact O-CG1 3.46Å; D370-I373 PolarHBondContact O-N 3.25Å; D370-I373 VanDerWaalsContact O-N 3.16Å; S371-I373 VanDerWaalsContact C-N 3.29Å; I373-Y377 HydrophobicContact CB-CD2 4.43Å; I373-Y377 HydrophobicContact CB-CE2 4.45Å; I373-Y377 HydrophobicContact CG1-CE2 4.46Å; I373-Y377 HydrophobicContact CG2-CD2 4.09Å; I373-Y377 HydrophobicContact CG2-CE2 4.26Å; I373-Y377 WeakPolarHBondContact O-CB 3.37Å; I373-Y377 WeakPolarHBondContact O-CD2 3.34Å
374S42.6Very low47.1Very low68 Ų6892.7 Ų92.748%0.47649%0.49SS..Hα-helixtrans-85.2-31.9-172.274.50000115.2A378S374-A378 WeakPolarHBondContact O-CB 3.47Å
375E38.4Very low49.5Very low166 Ų16691.2 Ų91.278%0.77647%0.471SS*.Hα-helixtrans-88.2-38.4-177.3-81.7-174.8175.500112.9
376D39.9Very low52Low108 Ų10888.1 Ų88.158%0.57846%0.461SS*.Hα-helixtrans-73.9-40.6-179.1-76.6-15.8000111.6S379D376-S379 WeakPolarHBondContact O-CB 3.38Å; D376-S379 PolarHBondContact O-N 3.4Å; D376-S379 PolarHBondContact O-OG 2.97Å
377Y45.3Very low54.3Low70 Ų7089.8 Ų89.828%0.27547%0.467SS..Hα-helixtrans-81.7-26.5-175.1-68.7-96.3000114.6I314 E318 I373 S379 E380 W381I314-Y377 HydrophobicContact CG2-CD1 4.29Å; I314-Y377 HydrophobicContact CG2-CE1 4.33Å; E318-Y377 PolarHBondContact OE1-OH 3.22Å; I373-Y377 HydrophobicContact CB-CD2 4.43Å; I373-Y377 HydrophobicContact CB-CE2 4.45Å; I373-Y377 HydrophobicContact CG1-CE2 4.46Å; I373-Y377 HydrophobicContact CG2-CD2 4.09Å; I373-Y377 HydrophobicContact CG2-CE2 4.26Å; I373-Y377 WeakPolarHBondContact O-CB 3.37Å; I373-Y377 WeakPolarHBondContact O-CD2 3.34Å; Y377-S379 PolarHBondContact O-N 3.39Å; Y377-S379 VanDerWaalsContact O-N 3.09Å; Y377-E380 PolarHBondContact O-N 2.93Å; Y377-W381 PolarHBondContact O-N 3.41Å
378A48.6Very low56.6Low75 Ų7584.1 Ų84.162%0.6245%0.447SS*.THydrogen-bonded Turntrans-58.4-24.1172.100000111.7S374S374-A378 WeakPolarHBondContact O-CB 3.47Å
379S52.8Low59.1Low101 Ų10175.9 Ų75.971%0.70641%0.411SS*.THydrogen-bonded Turntrans-79-18.5173.8830000114.3D376 Y377D376-S379 WeakPolarHBondContact O-CB 3.38Å; D376-S379 PolarHBondContact O-N 3.4Å; D376-S379 PolarHBondContact O-OG 2.97Å; Y377-S379 PolarHBondContact O-N 3.39Å; Y377-S379 VanDerWaalsContact O-N 3.09Å
380E63.9Low61.4Low111 Ų11177.3 Ų77.352%0.51941%0.414SS..THydrogen-bonded Turntrans-93.8-19.3-179.1-62.6-167.6162.100113.8Y377 N382 M385Y377-E380 PolarHBondContact O-N 2.93Å; E380-N382 PolarHBondContact O-N 3.13Å; E380-M385 HydrophobicContact CB-CE 4.47Å
381W73.2Confident63.6Low55 Ų5579 Ų7921%0.20842%0.419CS..  trans-61.4120.1178.2-166.8-80.6000111R310 F313 I314 Y377 M385 D386 F389R310-W381 HydrophobicContact CB-CE3 4.07Å; R310-W381 HydrophobicContact CB-CH2 3.56Å; R310-W381 HydrophobicContact CB-CZ2 4.31Å; R310-W381 HydrophobicContact CB-CZ3 3.41Å; R310-W381 VanDerWaalsContact CB-CZ3 3.41Å; R310-W381 HydrophobicContact CG-CE3 4.39Å; R310-W381 HydrophobicContact CG-CH2 3.36Å; R310-W381 HydrophobicContact CG-CZ2 3.68Å; R310-W381 HydrophobicContact CG-CZ3 3.75Å; F313-W381 HydrophobicContact CD1-CH2 4.22Å; I314-W381 HydrophobicContact CD1-CE3 4.11Å; I314-W381 HydrophobicContact CD1-CZ3 4.2Å; I314-W381 HydrophobicContact CG1-CE3 4.42Å; I314-W381 HydrophobicContact CG1-CZ3 4.11Å; Y377-W381 PolarHBondContact O-N 3.41Å; W381-M385 HydrophobicContact CD2-CB 4.4Å; W381-M385 HydrophobicContact CE3-SD 4.41Å; W381-D386 WeakPolarHBondContact CZ2-OD1 3.47Å; W381-D386 PolarHBondContact NE1-OD1 3.05Å; W381-F389 HydrophobicContact CH2-CB 4.07Å; W381-F389 AromaticContact CH2-CD1 3.98Å; W381-F389 HydrophobicContact CH2-CD1 3.98Å; W381-F389 HydrophobicContact CH2-CG 4.05Å; W381-F389 HydrophobicContact CZ2-CB 4.17Å; W381-F389 AromaticContact CZ2-CD1 3.95Å; W381-F389 HydrophobicContact CZ2-CD1 3.95Å; W381-F389 HydrophobicContact CZ2-CG 4.31Å
382N79.6Confident65.8Low65 Ų6578.7 Ų78.735%0.34841%0.411SS..  trans-133.5172.6-174.666.335.7000112.2E380 E384 M385 D386E380-N382 PolarHBondContact O-N 3.13Å; N382-E384 PolarHBondContact O-N 2.96Å; N382-E384 VanDerWaalsContact O-N 3.13Å; N382-E384 WeakPolarHBondContact OD1-CA 3.35Å; N382-E384 VanDerWaalsContact OD1-CB 3.31Å; N382-E384 WeakPolarHBondContact OD1-CB 3.34Å; N382-E384 PolarHBondContact OD1-N 2.91Å; N382-M385 WeakPolarHBondContact O-CB 3.34Å; N382-M385 PolarHBondContact O-N 3.36Å; N382-M385 PolarHBondContact OD1-N 3.43Å; N382-D386 PolarHBondContact O-N 2.96Å
383D80.3Confident68.4Low128 Ų12875.2 Ų75.268%0.68439%0.39SS*.Hα-helixtrans-56.9-29.4-179.4-64.6-20.7000113.3N387D383-N387 WeakPolarHBondContact O-CB 3.37Å; D383-N387 PolarHBondContact O-N 3.17Å; D383-N387 VanDerWaalsContact O-N 3.11Å; D383-N387 PolarHBondContact O-ND2 2.84Å
384E77.8Confident70.5Confident108 Ų10875.5 Ų75.551%0.50539%0.394SS..Hα-helixtrans-70.3-42.9176.3-61.5178.9173.300110.9N382 N387 A388N382-E384 PolarHBondContact O-N 2.96Å; N382-E384 VanDerWaalsContact O-N 3.13Å; N382-E384 WeakPolarHBondContact OD1-CA 3.35Å; N382-E384 VanDerWaalsContact OD1-CB 3.31Å; N382-E384 WeakPolarHBondContact OD1-CB 3.34Å; N382-E384 PolarHBondContact OD1-N 2.91Å; E384-N387 PolarHBondContact O-N 3.27Å; E384-A388 PolarHBondContact O-N 3.44Å
385M81.3Confident72.3Confident16 Ų1675.4 Ų75.48%0.07939%0.389CS..Hα-helixtrans-64.3-41.6174.2-66.2-164.2-167.100111.6Y335 E380 W381 N382 N387 A388 F389Y335-M385 HydrophobicContact CE2-CE 4.29Å; Y335-M385 HydrophobicContact CE2-CG 4.39Å; Y335-M385 WeakPolarHBondContact OH-CE 3.49Å; E380-M385 HydrophobicContact CB-CE 4.47Å; W381-M385 HydrophobicContact CD2-CB 4.4Å; W381-M385 HydrophobicContact CE3-SD 4.41Å; N382-M385 WeakPolarHBondContact O-CB 3.34Å; N382-M385 PolarHBondContact O-N 3.36Å; N382-M385 PolarHBondContact OD1-N 3.43Å; M385-N387 VanDerWaalsContact C-N 3.32Å; M385-N387 PolarHBondContact O-N 3.12Å; M385-A388 PolarHBondContact O-N 3.25Å; M385-F389 WeakPolarHBondContact O-CB 3.17Å; M385-F389 PolarHBondContact O-N 3.36Å
386D84.6Confident74.5Confident76 Ų7668.4 Ų68.441%0.40636%0.355SS..Hα-helixtrans-58.4-44.5174.9-96.3-24.1000111.9W381 N382 F389 F390W381-D386 WeakPolarHBondContact CZ2-OD1 3.47Å; W381-D386 PolarHBondContact NE1-OD1 3.05Å; N382-D386 PolarHBondContact O-N 2.96Å; D386-F389 PolarHBondContact O-N 2.99Å; D386-F390 VanDerWaalsContact O-CB 3.28Å; D386-F390 WeakPolarHBondContact O-CB 3.45Å; D386-F390 PolarHBondContact O-N 3.36Å
387N82.2Confident76.6Confident96 Ų9665.2 Ų65.251%0.51334%0.335SS..Hα-helixtrans-65.8-37.8177.1-80.2-57.7000112.6D383 E384 M385 K391D383-N387 WeakPolarHBondContact O-CB 3.37Å; D383-N387 PolarHBondContact O-N 3.17Å; D383-N387 VanDerWaalsContact O-N 3.11Å; D383-N387 PolarHBondContact O-ND2 2.84Å; E384-N387 PolarHBondContact O-N 3.27Å; M385-N387 VanDerWaalsContact C-N 3.32Å; M385-N387 PolarHBondContact O-N 3.12Å; N387-K391 WeakPolarHBondContact O-CG 3.47Å; N387-K391 PolarHBondContact O-N 2.83Å; N387-K391 VanDerWaalsContact O-N 3.11Å
388A82.2Confident78.1Confident6 Ų666 Ų665%0.0536%0.357CS..Hα-helixtrans-68.7-44.2175.900000111.7F313 Y335 C339 E384 M385 F390 K391 Y392F313-A388 HydrophobicContact CE1-CB 4.28Å; F313-A388 HydrophobicContact CZ-CB 4.01Å; Y335-A388 HydrophobicContact CG-CB 4.43Å; C339-A388 PolarHBondContact SG-O 3.16Å; C339-A388 VanDerWaalsContact SG-O 3.38Å; E384-A388 PolarHBondContact O-N 3.44Å; M385-A388 PolarHBondContact O-N 3.25Å; A388-F390 VanDerWaalsContact C-N 3.34Å; A388-F390 PolarHBondContact O-N 3.42Å; A388-K391 PolarHBondContact O-N 3.33Å; A388-Y392 WeakPolarHBondContact O-CB 3.43Å; A388-Y392 PolarHBondContact O-N 2.88Å
389F88Confident79.5Confident4 Ų468.9 Ų68.92%0.01836%0.357CS..Hα-helixtrans-64-40176.5-178.8-132.7000111.6D309 R310 F313 W381 M385 D386 K391 Y392 R393 T437D309-F389 HydrophobicContact CB-CZ 3.81Å; R310-F389 HydrophobicContact CG-CD1 4.44Å; R310-F389 HydrophobicContact CG-CE1 4.08Å; F313-F389 HydrophobicContact CB-CD2 3.72Å; F313-F389 HydrophobicContact CB-CE2 3.96Å; F313-F389 HydrophobicContact CD1-CB 3.77Å; F313-F389 AromaticContact CD1-CD2 3.85Å; F313-F389 HydrophobicContact CD1-CD2 3.85Å; F313-F389 HydrophobicContact CD1-CG 4.1Å; F313-F389 AromaticContact CD2-CD2 3.85Å; F313-F389 HydrophobicContact CD2-CD2 3.85Å; F313-F389 HydrophobicContact CE1-CB 3.73Å; F313-F389 HydrophobicContact CE1-CD2 4.43Å; F313-F389 HydrophobicContact CE2-CD2 4.45Å; F313-F389 HydrophobicContact CG-CB 4.31Å; F313-F389 AromaticContact CG-CD2 3.51Å; F313-F389 HydrophobicContact CG-CD2 3.51Å; F313-F389 HydrophobicContact CG-CE2 4.23Å; F313-F389 HydrophobicContact CG-CG 4.24Å; F313-F389 HydrophobicContact CZ-CB 4.24Å; W381-F389 HydrophobicContact CH2-CB 4.07Å; W381-F389 AromaticContact CH2-CD1 3.98Å; W381-F389 HydrophobicContact CH2-CD1 3.98Å; W381-F389 HydrophobicContact CH2-CG 4.05Å; W381-F389 HydrophobicContact CZ2-CB 4.17Å; W381-F389 AromaticContact CZ2-CD1 3.95Å; W381-F389 HydrophobicContact CZ2-CD1 3.95Å; W381-F389 HydrophobicContact CZ2-CG 4.31Å; M385-F389 WeakPolarHBondContact O-CB 3.17Å; M385-F389 PolarHBondContact O-N 3.36Å; D386-F389 PolarHBondContact O-N 2.99Å; F389-K391 PolarHBondContact O-N 3.16Å; F389-Y392 HydrophobicContact CD2-CD1 4.13Å; F389-Y392 HydrophobicContact CE2-CD1 4.24Å; F389-Y392 WeakPolarHBondContact O-CB 3.2Å; F389-Y392 PolarHBondContact O-N 3.5Å; F389-R393 HydrophobicContact CD2-CG 4.19Å; F389-R393 HydrophobicContact CE2-CG 3.8Å; F389-R393 VanDerWaalsContact CZ-CD 3.49Å; F389-R393 HydrophobicContact CZ-CG 4.07Å; F389-R393 WeakPolarHBondContact O-CG 3.36Å; F389-R393 PolarHBondContact O-N 2.87Å; F389-T437 HydrophobicContact CE1-CG2 4.03Å
390F84.8Confident80.9Confident116 Ų11666 Ų6651%0.50933%0.332SS..Hα-helixtrans-56.6-49.4171.4177.8-98.4000111.7D386 A388 Y392 R393 V394D386-F390 VanDerWaalsContact O-CB 3.28Å; D386-F390 WeakPolarHBondContact O-CB 3.45Å; D386-F390 PolarHBondContact O-N 3.36Å; A388-F390 VanDerWaalsContact C-N 3.34Å; A388-F390 PolarHBondContact O-N 3.42Å; F390-Y392 PolarHBondContact O-N 2.87Å; F390-R393 PolarHBondContact O-N 3.26Å; F390-V394 HydrophobicContact CD1-CG2 4.13Å; F390-V394 HydrophobicContact CE1-CG2 3.72Å; F390-V394 HydrophobicContact CE2-CG2 4.23Å; F390-V394 HydrophobicContact CZ-CG2 3.78Å; F390-V394 WeakPolarHBondContact O-CG2 3.23Å; F390-V394 PolarHBondContact O-N 3.35Å
391K82.6Confident81.5Confident89 Ų8961.5 Ų61.539%0.38731%0.312SS..Hα-helixtrans-62.9-41177.4-73.3172.7-174.91740112.7L336 C339 N387 A388 F389 R393 V394 N395L336-K391 HydrophobicContact CD1-CD 3.89Å; C339-K391 HydrophobicContact CB-CB 4.12Å; C339-K391 VanDerWaalsContact SG-CB 3.57Å; N387-K391 WeakPolarHBondContact O-CG 3.47Å; N387-K391 PolarHBondContact O-N 2.83Å; N387-K391 VanDerWaalsContact O-N 3.11Å; A388-K391 PolarHBondContact O-N 3.33Å; F389-K391 PolarHBondContact O-N 3.16Å; K391-R393 VanDerWaalsContact C-N 3.32Å; K391-R393 PolarHBondContact O-N 3.29Å; K391-V394 PolarHBondContact O-N 3.49Å; K391-N395 PolarHBondContact O-N 2.74Å; K391-N395 PolarHBondContact O-ND2 3.49Å
392Y83.3Confident80.9Confident38 Ų3866.2 Ų66.215%0.14934%0.341CS..Hα-helixtrans-56.7-45.7175.2173.1-104.3000111.8F313 A388 F389 F390 N395 Y396 F435F313-Y392 AromaticContact CD2-CD1 3.66Å; F313-Y392 HydrophobicContact CD2-CD1 3.66Å; F313-Y392 HydrophobicContact CD2-CD2 4.3Å; F313-Y392 HydrophobicContact CD2-CE1 4.15Å; F313-Y392 AromaticContact CD2-CG 3.74Å; F313-Y392 HydrophobicContact CD2-CG 3.74Å; F313-Y392 AromaticContact CE2-CD1 4Å; F313-Y392 HydrophobicContact CE2-CD1 4Å; F313-Y392 HydrophobicContact CE2-CD2 4.06Å; F313-Y392 AromaticContact CE2-CG 3.59Å; F313-Y392 HydrophobicContact CE2-CG 3.59Å; A388-Y392 WeakPolarHBondContact O-CB 3.43Å; A388-Y392 PolarHBondContact O-N 2.88Å; F389-Y392 HydrophobicContact CD2-CD1 4.13Å; F389-Y392 HydrophobicContact CE2-CD1 4.24Å; F389-Y392 WeakPolarHBondContact O-CB 3.2Å; F389-Y392 PolarHBondContact O-N 3.5Å; F390-Y392 PolarHBondContact O-N 2.87Å; Y392-N395 PolarHBondContact O-N 3.38Å; Y392-Y396 PolarHBondContact O-N 3.27Å; Y392-F435 HydrophobicContact CD1-CZ 4.35Å; Y392-F435 HydrophobicContact CE1-CE1 4.23Å; Y392-F435 AromaticContact CE1-CZ 3.69Å; Y392-F435 HydrophobicContact CE1-CZ 3.69Å
393R86.7Confident79.7Confident26 Ų2666.1 Ų66.110%0.09834%0.343CS..Hα-helixtrans-68.8-41.2176.1-65-176.1-65.8144.64112.5F389 F390 K391 N395 Y396 Y397 F435 D438F389-R393 HydrophobicContact CD2-CG 4.19Å; F389-R393 HydrophobicContact CE2-CG 3.8Å; F389-R393 VanDerWaalsContact CZ-CD 3.49Å; F389-R393 HydrophobicContact CZ-CG 4.07Å; F389-R393 WeakPolarHBondContact O-CG 3.36Å; F389-R393 PolarHBondContact O-N 2.87Å; F390-R393 PolarHBondContact O-N 3.26Å; K391-R393 VanDerWaalsContact C-N 3.32Å; K391-R393 PolarHBondContact O-N 3.29Å; R393-N395 VanDerWaalsContact C-N 3.27Å; R393-N395 PolarHBondContact O-N 2.91Å; R393-Y396 WeakPolarHBondContact O-CB 3.3Å; R393-Y396 PolarHBondContact O-N 3.43Å; R393-Y396 VanDerWaalsContact O-N 3.16Å; R393-Y397 HydrophobicContact CB-CD2 4.49Å; R393-Y397 HydrophobicContact CB-CE2 3.98Å; R393-Y397 WeakPolarHBondContact O-CD2 3.37Å; R393-Y397 PolarHBondContact O-N 2.98Å; R393-F435 HydrophobicContact CB-CD2 4.08Å; R393-F435 HydrophobicContact CB-CE2 4.21Å; R393-F435 HydrophobicContact CG-CD2 3.59Å; R393-F435 HydrophobicContact CG-CE2 3.75Å; R393-F435 HydrophobicContact CG-CG 4.08Å; R393-F435 HydrophobicContact CG-CZ 4.37Å; R393-D438 IonicContact CZ-OD1 3.83Å; R393-D438 IonicContact CZ-OD2 3.94Å; R393-D438 IonicContact NE-OD2 2.58Å; R393-D438 IonicContact NH1-OD1 3.64Å; R393-D438 PolarHBondContact NH1-OD1 2.66Å; R393-D438 IonicContact NH1-OD2 3.61Å; R393-D438 PolarHBondContact NH1-OD2 3.28Å
394V81.4Confident78.1Confident63 Ų6368 Ų6838%0.38235%0.347SS..Hα-helixtrans-57.1-42.3174.3168.40000111.3F390 K391 Y397 A398F390-V394 HydrophobicContact CD1-CG2 4.13Å; F390-V394 HydrophobicContact CE1-CG2 3.72Å; F390-V394 HydrophobicContact CE2-CG2 4.23Å; F390-V394 HydrophobicContact CZ-CG2 3.78Å; F390-V394 WeakPolarHBondContact O-CG2 3.23Å; F390-V394 PolarHBondContact O-N 3.35Å; K391-V394 PolarHBondContact O-N 3.49Å; V394-Y397 PolarHBondContact O-N 3.37Å; V394-A398 WeakPolarHBondContact O-CB 3.3Å; V394-A398 PolarHBondContact O-N 2.89Å
395N80.8Confident77.2Confident66 Ų6667.5 Ų67.535%0.35335%0.345SS..Hα-helixtrans-65.7-43.1176-70.8-23.3000112.3C339 K391 Y392 R393 Y397 A398 E399C339-N395 PolarHBondContact O-ND2 3.24Å; K391-N395 PolarHBondContact O-N 2.74Å; K391-N395 PolarHBondContact O-ND2 3.49Å; Y392-N395 PolarHBondContact O-N 3.38Å; R393-N395 VanDerWaalsContact C-N 3.27Å; R393-N395 PolarHBondContact O-N 2.91Å; N395-Y397 PolarHBondContact O-N 3.38Å; N395-A398 PolarHBondContact O-N 2.63Å; N395-E399 WeakPolarHBondContact O-CB 3.39Å; N395-E399 PolarHBondContact O-N 3.14Å
396Y84.5Confident76.3Confident20 Ų2067.3 Ų67.38%0.07835%0.345CS..Hα-helixtrans-54.6-44.8172.6173.7-84.4000110.9Y392 R393 E399 K400 L401 S433 F435Y392-Y396 PolarHBondContact O-N 3.27Å; R393-Y396 WeakPolarHBondContact O-CB 3.3Å; R393-Y396 PolarHBondContact O-N 3.43Å; R393-Y396 VanDerWaalsContact O-N 3.16Å; Y396-E399 PolarHBondContact O-N 3.12Å; Y396-K400 HydrophobicContact CD2-CD 3.72Å; Y396-K400 HydrophobicContact CE1-CB 4.47Å; Y396-K400 HydrophobicContact CE1-CD 4.49Å; Y396-K400 HydrophobicContact CE2-CD 3.42Å; Y396-K400 VanDerWaalsContact CE2-CD 3.42Å; Y396-K400 HydrophobicContact CG-CD 4.37Å; Y396-K400 WeakPolarHBondContact O-CB 3.45Å; Y396-K400 PolarHBondContact O-N 2.94Å; Y396-L401 HydrophobicContact CE1-CD1 3.92Å; Y396-S433 WeakPolarHBondContact CE1-O 3.33Å; Y396-S433 PolarHBondContact OH-O 3.47Å; Y396-F435 HydrophobicContact CD1-CD2 4.11Å; Y396-F435 AromaticContact CD1-CE2 3.65Å; Y396-F435 HydrophobicContact CD1-CE2 3.65Å; Y396-F435 AromaticContact CD2-CE2 3.87Å; Y396-F435 HydrophobicContact CD2-CE2 3.87Å; Y396-F435 HydrophobicContact CD2-CZ 4.07Å; Y396-F435 HydrophobicContact CE1-CD2 4.5Å; Y396-F435 HydrophobicContact CE1-CE2 4.22Å; Y396-F435 HydrophobicContact CE2-CE2 4.39Å; Y396-F435 HydrophobicContact CG-CD2 4.39Å; Y396-F435 AromaticContact CG-CE2 3.48Å; Y396-F435 HydrophobicContact CG-CE2 3.48Å; Y396-F435 VanDerWaalsContact CG-CE2 3.48Å; Y396-F435 HydrophobicContact CG-CZ 4.14Å
397Y84Confident75.6Confident40 Ų4064.9 Ų64.916%0.15733%0.331CS..Hα-helixtrans-66.5-47.7177.4-62.2-45.3000112.4R393 V394 N395 E399 K400 L401 V403 P434 F435 D438R393-Y397 HydrophobicContact CB-CD2 4.49Å; R393-Y397 HydrophobicContact CB-CE2 3.98Å; R393-Y397 WeakPolarHBondContact O-CD2 3.37Å; R393-Y397 PolarHBondContact O-N 2.98Å; V394-Y397 PolarHBondContact O-N 3.37Å; N395-Y397 PolarHBondContact O-N 3.38Å; Y397-E399 PolarHBondContact O-N 2.97Å; Y397-K400 PolarHBondContact O-N 3.41Å; Y397-L401 HydrophobicContact CD1-CB 4.2Å; Y397-L401 HydrophobicContact CD1-CD1 3.91Å; Y397-L401 HydrophobicContact CE1-CD1 4.01Å; Y397-L401 CarbonylContact O-C 3.53Å; Y397-L401 PolarHBondContact O-N 3.23Å; Y397-V403 HydrophobicContact CD1-CG2 3.99Å; Y397-V403 HydrophobicContact CE1-CG2 4.37Å; Y397-P434 HydrophobicContact CE1-CB 3.77Å; Y397-F435 HydrophobicContact CE1-CD2 4.49Å; Y397-F435 PolarHBondContact OH-N 3.41Å; Y397-F435 VanDerWaalsContact OH-N 3.11Å; Y397-D438 WeakPolarHBondContact CE2-OD2 3.23Å; Y397-D438 WeakPolarHBondContact OH-CB 3.18Å; Y397-D438 VanDerWaalsContact OH-CG 3.28Å; Y397-D438 PolarHBondContact OH-OD2 3.14Å
398A77.9Confident75.7Confident88 Ų8863.6 Ų63.673%0.72732%0.32SS*.Hα-helixtrans-58.2-32.9177.500000113.1V394 N395V394-A398 WeakPolarHBondContact O-CB 3.3Å; V394-A398 PolarHBondContact O-N 2.89Å; N395-A398 PolarHBondContact O-N 2.63Å
399E77.6Confident76.1Confident135 Ų13563.4 Ų63.463%0.63132%0.318SS*.Hα-helixtrans-82.2-36.2177.8-171.1-170.9169.200112.8N395 Y396 Y397N395-E399 WeakPolarHBondContact O-CB 3.39Å; N395-E399 PolarHBondContact O-N 3.14Å; Y396-E399 PolarHBondContact O-N 3.12Å; Y397-E399 PolarHBondContact O-N 2.97Å
400K81.9Confident76.3Confident41 Ų4163.7 Ų63.718%0.17832%0.32CS..Hα-helixtrans-119.2-23.1-163.4-63.6-179.1175.1-176.10115.8Y396 Y397 Y432 N494Y396-K400 HydrophobicContact CD2-CD 3.72Å; Y396-K400 HydrophobicContact CE1-CB 4.47Å; Y396-K400 HydrophobicContact CE1-CD 4.49Å; Y396-K400 HydrophobicContact CE2-CD 3.42Å; Y396-K400 VanDerWaalsContact CE2-CD 3.42Å; Y396-K400 HydrophobicContact CG-CD 4.37Å; Y396-K400 WeakPolarHBondContact O-CB 3.45Å; Y396-K400 PolarHBondContact O-N 2.94Å; Y397-K400 PolarHBondContact O-N 3.41Å; K400-Y432 HydrophobicContact CB-CD1 4.42Å; K400-Y432 HydrophobicContact CB-CD2 3.63Å; K400-Y432 HydrophobicContact CB-CE2 3.99Å; K400-Y432 HydrophobicContact CB-CG 3.86Å; K400-Y432 HydrophobicContact CD-CD1 3.91Å; K400-Y432 HydrophobicContact CD-CE1 3.95Å; K400-Y432 HydrophobicContact CD-CG 4.2Å; K400-Y432 HydrophobicContact CG-CD1 4.4Å; K400-Y432 HydrophobicContact CG-CD2 4.18Å; K400-Y432 HydrophobicContact CG-CE1 4.32Å; K400-Y432 HydrophobicContact CG-CE2 4.12Å; K400-Y432 HydrophobicContact CG-CG 4.31Å; K400-Y432 VanDerWaalsContact O-CD2 3.24Å; K400-Y432 WeakPolarHBondContact O-CD2 3.45Å; K400-N494 PolarHBondContact NZ-OD1 3.01Å
401L76.1Confident76.7Confident16 Ų1658.3 Ų58.38%0.08430%0.296CS..  trans-148.2134.9-168.5-66.8173.5000116.4Y396 Y397 V403 Y430 Y432 P434Y396-L401 HydrophobicContact CE1-CD1 3.92Å; Y397-L401 HydrophobicContact CD1-CB 4.2Å; Y397-L401 HydrophobicContact CD1-CD1 3.91Å; Y397-L401 HydrophobicContact CE1-CD1 4.01Å; Y397-L401 CarbonylContact O-C 3.53Å; Y397-L401 PolarHBondContact O-N 3.23Å; L401-V403 HydrophobicContact CB-CG2 3.36Å; L401-V403 HydrophobicContact CD1-CG2 3.85Å; L401-V403 HydrophobicContact CG-CG2 4.15Å; L401-Y430 HydrophobicContact CD2-CD1 4.07Å; L401-Y430 HydrophobicContact CD2-CG 4.01Å; L401-Y432 WeakPolarHBondContact CD2-O 3.13Å; L401-P434 HydrophobicContact CD1-CB 4.42Å
402D60.8Low77.2Confident154 Ų15454 Ų5482%0.82428%0.277SS*.  trans-10378.5161.3-80.2-34.7000109.6Y430D402-Y430 WeakPolarHBondContact O-CE1 3.38Å; D402-Y430 PolarHBondContact O-OH 3.19Å
403V54.3Low77.6Confident63 Ų6352.2 Ų52.238%0.38227%0.27SS..  trans-79.8145.5-157.7-171.70000115.6Y397 L401Y397-V403 HydrophobicContact CD1-CG2 3.99Å; Y397-V403 HydrophobicContact CE1-CG2 4.37Å; L401-V403 HydrophobicContact CB-CG2 3.36Å; L401-V403 HydrophobicContact CD1-CG2 3.85Å; L401-V403 HydrophobicContact CG-CG2 4.15Å
404E48.4Very low78Confident166 Ų16651 Ų5178%0.77627%0.266SS*.  trans-156.5-7.2143.8-116.2177.9-155.700118.1Y430E404-Y430 PolarHBondContact N-OH 3.09Å
405Q58.4Low78.6Confident98 Ų9849.9 Ų49.946%0.45826%0.255SS..  trans-147.2107.2-172.6-63.6-178.136.400116.2Y428Q405-Y428 WeakPolarHBondContact O-CE2 3.08Å
406V62.6Low79.2Confident13 Ų1346.8 Ų46.88%0.07924%0.238CC..  trans-115.3-32.4174.2174.60000113.5R408 G409 Y428 P434 L439V406-R408 VanDerWaalsContact C-N 3.29Å; V406-R408 PolarHBondContact O-N 3.19Å; V406-G409 WeakPolarHBondContact O-CA 3.32Å; V406-G409 PolarHBondContact O-N 2.91Å; V406-Y428 HydrophobicContact CB-CE2 4.39Å; V406-Y428 HydrophobicContact CG2-CE2 3.75Å; V406-Y428 VanDerWaalsContact CG2-OH 3.27Å; V406-Y428 WeakPolarHBondContact CG2-OH 3.06Å; V406-P434 HydrophobicContact CB-CG 4.29Å; V406-P434 HydrophobicContact CG2-CG 3.46Å; V406-P434 VanDerWaalsContact CG2-CG 3.46Å; V406-L439 HydrophobicContact CB-CD2 3.69Å; V406-L439 HydrophobicContact CG1-CD1 4.27Å; V406-L439 HydrophobicContact CG1-CD2 3.88Å; V406-L439 HydrophobicContact CG2-CD2 4.22Å
407D68.7Low79.5Confident24 Ų2445.9 Ų45.913%0.12824%0.235CC..Hα-helixtrans-65.3-33.5-168.8-43.2-57.4000112.6G409 L410 F442D407-G409 VanDerWaalsContact C-N 3.25Å; D407-G409 PolarHBondContact O-N 3.49Å; D407-L410 PolarHBondContact O-N 2.75Å; D407-F442 HydrophobicContact CB-CB 3.85Å; D407-F442 HydrophobicContact CB-CG 4.18Å; D407-F442 WeakPolarHBondContact OD1-CD1 3.09Å; D407-F442 WeakPolarHBondContact OD2-CB 3.18Å
408R85.2Confident79.9Confident70 Ų7045 Ų4526%0.26423%0.231SC..Hα-helixtrans-63.7-32.4173.2-63.5-176.371.6-1645112V406 Q411 W412 V445 L447 Q448 F449V406-R408 VanDerWaalsContact C-N 3.29Å; V406-R408 PolarHBondContact O-N 3.19Å; R408-Q411 PolarHBondContact O-N 2.94Å; R408-W412 PolarHBondContact O-N 3.23Å; R408-V445 HydrophobicContact CG-CG1 3.91Å; R408-L447 HydrophobicContact CG-CD2 4.43Å; R408-Q448 PolarHBondContact NH2-O 3.32Å; R408-Q448 VanDerWaalsContact NH2-O 3.09Å; R408-F449 HydrophobicContact CB-CE1 4.46Å; R408-F449 HydrophobicContact CB-CZ 4.25Å; R408-F449 VanDerWaalsContact O-CZ 3.27Å; R408-F449 WeakPolarHBondContact O-CZ 3.44Å
409G89.9Confident80.4Confident1 Ų145 Ų451%0.0122%0.216CC..Hα-helixtrans-66.6-42.8-178.800000113.1V406 D407 Q411 W412 N413V406-G409 WeakPolarHBondContact O-CA 3.32Å; V406-G409 PolarHBondContact O-N 2.91Å; D407-G409 VanDerWaalsContact C-N 3.25Å; D407-G409 PolarHBondContact O-N 3.49Å; G409-Q411 VanDerWaalsContact C-N 3.33Å; G409-Q411 PolarHBondContact O-N 3.44Å; G409-W412 PolarHBondContact O-N 3.48Å; G409-N413 WeakPolarHBondContact O-CB 3.3Å; G409-N413 PolarHBondContact O-N 3.36Å
410L92.2Very high80.9Confident11 Ų1138.9 Ų38.96%0.05819%0.188CC..Hα-helixtrans-60.1-44.5177.2-66.3172.4000111.3F246 L250 L256 L293 F302 D407 N413 L414F246-L410 HydrophobicContact CE2-CB 4.5Å; F246-L410 HydrophobicContact CE2-CD1 4.42Å; F246-L410 HydrophobicContact CE2-CD2 4.44Å; L250-L410 HydrophobicContact CD2-CD1 4.41Å; L250-L410 HydrophobicContact CD2-CD2 3.91Å; L256-L410 HydrophobicContact CD1-CD2 3.83Å; L256-L410 HydrophobicContact CD1-CG 4.4Å; L293-L410 HydrophobicContact CD1-CB 3.93Å; F302-L410 HydrophobicContact CE2-CD1 4.09Å; F302-L410 HydrophobicContact CZ-CD1 3.68Å; D407-L410 PolarHBondContact O-N 2.75Å; L410-N413 WeakPolarHBondContact O-CB 3.2Å; L410-N413 PolarHBondContact O-N 3.41Å; L410-L414 PolarHBondContact O-N 2.61Å
411Q93.7Very high81.3Confident2 Ų237.1 Ų37.11%0.00918%0.181CC..Hα-helixtrans-66.2-42.7177-17860.376.100112.5G291 L293 R408 G409 N413 L414 Y415 L447 F449G291-Q411 PolarHBondContact O-NE2 3.04Å; L293-Q411 HydrophobicContact CD1-CB 4.12Å; R408-Q411 PolarHBondContact O-N 2.94Å; G409-Q411 VanDerWaalsContact C-N 3.33Å; G409-Q411 PolarHBondContact O-N 3.44Å; Q411-N413 PolarHBondContact O-N 2.81Å; Q411-L414 PolarHBondContact O-N 3.4Å; Q411-Y415 HydrophobicContact CG-CD2 3.98Å; Q411-Y415 HydrophobicContact CG-CE2 3.5Å; Q411-Y415 VanDerWaalsContact NE2-CE1 3.31Å; Q411-Y415 VanDerWaalsContact NE2-CZ 3.3Å; Q411-Y415 WeakPolarHBondContact O-CD2 3.46Å; Q411-Y415 PolarHBondContact O-N 3.25Å; Q411-L447 HydrophobicContact CB-CD1 4.1Å; Q411-L447 HydrophobicContact CB-CD2 3.83Å; Q411-L447 HydrophobicContact CB-CG 4.39Å; Q411-L447 HydrophobicContact CG-CB 4.05Å; Q411-L447 HydrophobicContact CG-CD1 3.86Å; Q411-L447 HydrophobicContact CG-CD2 4.19Å; Q411-L447 HydrophobicContact CG-CG 4.25Å; Q411-F449 HydrophobicContact CB-CE2 4.41Å; Q411-F449 HydrophobicContact CG-CE2 4.06Å
412W93.7Very high82Confident0 Ų037.1 Ų37.10%018%0.183CC..Hα-helixtrans-58.2-41.1176.2-174.2100.7000110.8P93 A95 F255 R408 G409 Y415 Y416 V421 A422 S423 W426 F449P93-W412 HydrophobicContact CB-CH2 4.07Å; P93-W412 HydrophobicContact CB-CZ2 3.89Å; P93-W412 HydrophobicContact CG-CH2 3.86Å; P93-W412 HydrophobicContact CG-CZ2 4.19Å; A95-W412 HydrophobicContact CB-CH2 3.64Å; A95-W412 HydrophobicContact CB-CZ2 4.01Å; A95-W412 HydrophobicContact CB-CZ3 3.93Å; F255-W412 HydrophobicContact CB-CE3 4.48Å; F255-W412 HydrophobicContact CB-CZ3 4.07Å; F255-W412 HydrophobicContact CD1-CH2 4.06Å; F255-W412 AromaticContact CD1-CZ3 3.73Å; F255-W412 HydrophobicContact CD1-CZ3 3.73Å; F255-W412 AromaticContact CD2-CZ3 3.81Å; F255-W412 HydrophobicContact CD2-CZ3 3.81Å; F255-W412 HydrophobicContact CE1-CH2 4.2Å; F255-W412 HydrophobicContact CE1-CZ3 4.11Å; F255-W412 HydrophobicContact CE2-CZ3 4.23Å; F255-W412 HydrophobicContact CG-CE3 4.38Å; F255-W412 HydrophobicContact CG-CH2 4.35Å; F255-W412 AromaticContact CG-CZ3 3.56Å; F255-W412 HydrophobicContact CG-CZ3 3.56Å; F255-W412 HydrophobicContact CZ-CZ3 4.38Å; R408-W412 PolarHBondContact O-N 3.23Å; G409-W412 PolarHBondContact O-N 3.48Å; W412-Y415 PolarHBondContact O-N 2.87Å; W412-Y416 AromaticContact CH2-CD2 3.97Å; W412-Y416 HydrophobicContact CH2-CD2 3.97Å; W412-Y416 HydrophobicContact CH2-CG 4.49Å; W412-Y416 HydrophobicContact CZ3-CD2 4.19Å; W412-Y416 HydrophobicContact CZ3-CG 4.27Å; W412-Y416 PolarHBondContact O-N 3.29Å; W412-V421 HydrophobicContact CZ2-CG1 4.36Å; W412-A422 HydrophobicContact CG-CB 4.43Å; W412-S423 PolarHBondContact NE1-O 3.38Å; W412-S423 VanDerWaalsContact NE1-O 3.11Å; W412-W426 HydrophobicContact CB-CD2 4.32Å; W412-W426 HydrophobicContact CB-CE3 3.89Å; W412-W426 HydrophobicContact CB-CH2 4.36Å; W412-W426 HydrophobicContact CB-CZ3 3.91Å; W412-W426 AromaticContact CD1-CD2 3.72Å; W412-W426 AromaticContact CD1-CE3 3.44Å; W412-W426 VanDerWaalsContact CD1-CE3 3.44Å; W412-W426 AromaticContact CD1-CG 3.95Å; W412-W426 AromaticContact CD2-CE3 3.58Å; W412-W426 HydrophobicContact CD2-CE3 3.58Å; W412-W426 AromaticContact CD2-CZ3 3.85Å; W412-W426 HydrophobicContact CD2-CZ3 3.85Å; W412-W426 AromaticContact CE2-CE3 3.84Å; W412-W426 HydrophobicContact CE3-CE3 4.26Å; W412-W426 HydrophobicContact CE3-CZ3 4.11Å; W412-W426 AromaticContact CG-CD2 3.96Å; W412-W426 HydrophobicContact CG-CD2 3.96Å; W412-W426 AromaticContact CG-CE3 3.36Å; W412-W426 HydrophobicContact CG-CE3 3.36Å; W412-W426 AromaticContact CG-CZ3 3.75Å; W412-W426 HydrophobicContact CG-CZ3 3.75Å; W412-W426 AromaticContact NE1-CE3 3.7Å; W412-F449 HydrophobicContact CB-CE1 3.9Å; W412-F449 HydrophobicContact CB-CE2 4.31Å; W412-F449 HydrophobicContact CB-CZ 3.72Å; W412-F449 AromaticContact CD1-CD1 3.78Å; W412-F449 AromaticContact CD1-CE1 3.79Å; W412-F449 HydrophobicContact CG-CE1 4.26Å; W412-F449 HydrophobicContact CG-CZ 4.48Å
413N92.1Very high83.5Confident0 Ų030.1 Ų30.10%015%0.147CC..Hα-helixtrans-63.7-44178.9-167.814.4000112.4N253 F255 L256 G409 L410 Q411 Y416 Y417N253-N413 PolarHBondContact ND2-ND2 3.14Å; N253-N413 PolarHBondContact ND2-OD1 3.39Å; F255-N413 WeakPolarHBondContact CD2-OD1 3.3Å; L256-N413 HydrophobicContact CD1-CB 3.98Å; G409-N413 WeakPolarHBondContact O-CB 3.3Å; G409-N413 PolarHBondContact O-N 3.36Å; L410-N413 WeakPolarHBondContact O-CB 3.2Å; L410-N413 PolarHBondContact O-N 3.41Å; Q411-N413 PolarHBondContact O-N 2.81Å; N413-Y416 WeakPolarHBondContact O-CB 3.16Å; N413-Y416 PolarHBondContact O-N 3.38Å; N413-Y417 VanDerWaalsContact O-CD2 3.24Å; N413-Y417 WeakPolarHBondContact O-CD2 3.13Å; N413-Y417 PolarHBondContact O-N 3.23Å; N413-Y417 WeakPolarHBondContact OD1-CE2 3.43Å
414L94.3Very high85.3Confident1 Ų128.2 Ų28.21%0.00513%0.132CC..Hα-helixtrans-64.2-43.4173.6-69.2-178.3000111.9F246 N288 G291 L293 L410 Q411 Y416 Y417 Y418F246-L414 HydrophobicContact CB-CD2 4.39Å; F246-L414 HydrophobicContact CD2-CD1 4.09Å; F246-L414 HydrophobicContact CD2-CD2 4.43Å; N288-L414 HydrophobicContact CB-CD1 4.48Å; G291-L414 WeakPolarHBondContact O-CB 3.32Å; L293-L414 HydrophobicContact CD1-CD1 4.31Å; L293-L414 HydrophobicContact CD2-CD1 3.43Å; L293-L414 VanDerWaalsContact CD2-CD1 3.43Å; L293-L414 HydrophobicContact CG-CD1 3.64Å; L410-L414 PolarHBondContact O-N 2.61Å; Q411-L414 PolarHBondContact O-N 3.4Å; L414-Y416 PolarHBondContact O-N 3.39Å; L414-Y417 PolarHBondContact O-N 3.26Å; L414-Y418 HydrophobicContact CD2-CE2 4.07Å; L414-Y418 WeakPolarHBondContact O-CD2 3.09Å; L414-Y418 PolarHBondContact O-N 2.86Å
415Y93.6Very high87.4Confident39 Ų3925.1 Ų25.115%0.15312%0.118CC..Hα-helixtrans-57.6-40.4174.9-71.2-38.1000112.3R292 Q411 W412 Y417 Y418 E419 S420 A422 F449R292-Y415 HydrophobicContact CG-CE1 4.06Å; Q411-Y415 HydrophobicContact CG-CD2 3.98Å; Q411-Y415 HydrophobicContact CG-CE2 3.5Å; Q411-Y415 VanDerWaalsContact NE2-CE1 3.31Å; Q411-Y415 VanDerWaalsContact NE2-CZ 3.3Å; Q411-Y415 WeakPolarHBondContact O-CD2 3.46Å; Q411-Y415 PolarHBondContact O-N 3.25Å; W412-Y415 PolarHBondContact O-N 2.87Å; Y415-Y417 PolarHBondContact O-N 3.42Å; Y415-Y418 PolarHBondContact O-N 2.86Å; Y415-E419 HydrophobicContact CD1-CG 4.35Å; Y415-E419 CarbonylContact O-C 3.59Å; Y415-E419 WeakPolarHBondContact O-CA 3.45Å; Y415-E419 PolarHBondContact O-N 3.41Å; Y415-S420 CarbonylContact C-O 3.52Å; Y415-S420 CarbonylContact O-C 3.55Å; Y415-S420 PolarHBondContact O-N 3.45Å; Y415-A422 HydrophobicContact CD2-CB 3.61Å; Y415-A422 HydrophobicContact CG-CB 4.04Å; Y415-F449 AromaticContact CD2-CD2 3.86Å; Y415-F449 HydrophobicContact CD2-CD2 3.86Å; Y415-F449 AromaticContact CD2-CE2 3.9Å; Y415-F449 HydrophobicContact CD2-CE2 3.9Å; Y415-F449 AromaticContact CE2-CD2 3.76Å; Y415-F449 HydrophobicContact CE2-CD2 3.76Å; Y415-F449 AromaticContact CE2-CE2 3.79Å; Y415-F449 HydrophobicContact CE2-CE2 3.79Å
416Y92.6Very high89Confident0 Ų022.1 Ų22.10%010%0.103CC..Hα-helixtrans-51.3-54.3175.5176-92.9000111.2P93 E162 E164 H165 F255 W412 N413 L414 S420P93-Y416 HydrophobicContact CG-CE2 4.3Å; E162-Y416 VanDerWaalsContact CD-OH 3.27Å; E162-Y416 PolarHBondContact OE1-OH 3.18Å; E162-Y416 VanDerWaalsContact OE1-OH 3.04Å; E162-Y416 PolarHBondContact OE2-OH 3.31Å; E164-Y416 PolarHBondContact OE1-OH 3.12Å; H165-Y416 AromaticContact CD2-CE1 4Å; H165-Y416 AromaticContact CD2-CE2 3.68Å; H165-Y416 AromaticContact CD2-CZ 3.35Å; H165-Y416 PolarHBondContact CD2-OH 3.25Å; H165-Y416 AromaticContact CE1-CD1 3.81Å; H165-Y416 AromaticContact CE1-CE1 3.61Å; H165-Y416 AromaticContact CE1-CE2 3.89Å; H165-Y416 AromaticContact CE1-CZ 3.65Å; H165-Y416 PolarHBondContact CE1-O 3.46Å; H165-Y416 PolarHBondContact ND1-O 2.92Å; H165-Y416 AromaticContact NE2-CD1 3.66Å; H165-Y416 AromaticContact NE2-CD2 3.98Å; H165-Y416 AromaticContact NE2-CE1 2.99Å; H165-Y416 WeakPolarHBondContact NE2-CE1 3.49Å; H165-Y416 AromaticContact NE2-CE2 3.37Å; H165-Y416 WeakPolarHBondContact NE2-CE2 3.21Å; H165-Y416 AromaticContact NE2-CZ 2.81Å; H165-Y416 PolarHBondContact NE2-OH 3.09Å; F255-Y416 HydrophobicContact CE1-CE2 4.22Å; F255-Y416 AromaticContact CE2-CD1 3.49Å; F255-Y416 HydrophobicContact CE2-CD1 3.49Å; F255-Y416 VanDerWaalsContact CE2-CD1 3.49Å; F255-Y416 HydrophobicContact CE2-CD2 4.23Å; F255-Y416 AromaticContact CE2-CE1 3.5Å; F255-Y416 HydrophobicContact CE2-CE1 3.5Å; F255-Y416 VanDerWaalsContact CE2-CE1 3.5Å; F255-Y416 HydrophobicContact CE2-CE2 4.22Å; F255-Y416 AromaticContact CE2-CG 3.88Å; F255-Y416 HydrophobicContact CE2-CG 3.88Å; F255-Y416 AromaticContact CE2-CZ 3.89Å; F255-Y416 AromaticContact CZ-CD1 3.82Å; F255-Y416 HydrophobicContact CZ-CD1 3.82Å; F255-Y416 AromaticContact CZ-CD2 3.92Å; F255-Y416 HydrophobicContact CZ-CD2 3.92Å; F255-Y416 AromaticContact CZ-CE1 3.46Å; F255-Y416 HydrophobicContact CZ-CE1 3.46Å; F255-Y416 VanDerWaalsContact CZ-CE1 3.46Å; F255-Y416 AromaticContact CZ-CE2 3.55Å; F255-Y416 HydrophobicContact CZ-CE2 3.55Å; F255-Y416 HydrophobicContact CZ-CG 4.04Å; F255-Y416 AromaticContact CZ-CZ 3.32Å; W412-Y416 AromaticContact CH2-CD2 3.97Å; W412-Y416 HydrophobicContact CH2-CD2 3.97Å; W412-Y416 HydrophobicContact CH2-CG 4.49Å; W412-Y416 HydrophobicContact CZ3-CD2 4.19Å; W412-Y416 HydrophobicContact CZ3-CG 4.27Å; W412-Y416 PolarHBondContact O-N 3.29Å; N413-Y416 WeakPolarHBondContact O-CB 3.16Å; N413-Y416 PolarHBondContact O-N 3.38Å; L414-Y416 PolarHBondContact O-N 3.39Å; Y416-S420 WeakPolarHBondContact CA-O 3.17Å; Y416-S420 PolarHBondContact N-O 3.06Å; Y416-S420 WeakPolarHBondContact O-CA 3.42Å; Y416-S420 PolarHBondContact O-N 3.14Å
417Y92.2Very high90.3Very high2 Ų223 Ų231%0.00811%0.105CC..Hα-helixtrans-68.5-42.6-179.6-67.5-72.8000113.8D194 I197 L198 N253 N413 L414 Y415D194-Y417 HydrophobicContact CB-CE1 4.27Å; D194-Y417 PolarHBondContact OD1-OH 3.21Å; I197-Y417 HydrophobicContact CB-CD1 4.35Å; I197-Y417 HydrophobicContact CB-CE1 4.22Å; I197-Y417 HydrophobicContact CG2-CD1 3.75Å; I197-Y417 HydrophobicContact CG2-CE1 3.95Å; I197-Y417 HydrophobicContact CG2-CG 4.07Å; L198-Y417 HydrophobicContact CD2-CD1 3.71Å; L198-Y417 HydrophobicContact CG-CD1 4.14Å; N253-Y417 PolarHBondContact ND2-OH 2.64Å; N413-Y417 VanDerWaalsContact O-CD2 3.24Å; N413-Y417 WeakPolarHBondContact O-CD2 3.13Å; N413-Y417 PolarHBondContact O-N 3.23Å; N413-Y417 WeakPolarHBondContact OD1-CE2 3.43Å; L414-Y417 PolarHBondContact O-N 3.26Å; Y415-Y417 PolarHBondContact O-N 3.42Å
418Y92.6Very high91.4Very high21 Ų2122.4 Ų22.48%0.08210%0.101CC..Hα-helixtrans-86.3-44.4-170.5-73.7-106.7000113.1R172 V201 D242 V245 N288 A290 G291 L414 Y415R172-Y418 WeakPolarHBondContact CD-O 3.32Å; R172-Y418 PolarHBondContact NH1-O 3.18Å; R172-Y418 VanDerWaalsContact NH1-O 3.09Å; V201-Y418 HydrophobicContact CB-CE1 4.38Å; V201-Y418 HydrophobicContact CB-CE2 4.48Å; V201-Y418 HydrophobicContact CG1-CD1 3.45Å; V201-Y418 VanDerWaalsContact CG1-CD1 3.45Å; V201-Y418 HydrophobicContact CG1-CD2 3.78Å; V201-Y418 HydrophobicContact CG1-CE1 3.58Å; V201-Y418 HydrophobicContact CG1-CE2 3.92Å; V201-Y418 HydrophobicContact CG1-CG 3.56Å; V201-Y418 HydrophobicContact CG2-CD2 4.27Å; V201-Y418 HydrophobicContact CG2-CE1 4.15Å; V201-Y418 HydrophobicContact CG2-CE2 3.66Å; D242-Y418 WeakPolarHBondContact CA-OH 3.39Å; D242-Y418 HydrophobicContact CB-CE1 4.43Å; D242-Y418 WeakPolarHBondContact CB-OH 3.45Å; D242-Y418 VanDerWaalsContact CG-OH 3.26Å; D242-Y418 WeakPolarHBondContact OD1-CE1 3.4Å; D242-Y418 PolarHBondContact OD1-OH 3.3Å; V245-Y418 HydrophobicContact CG1-CE2 4.18Å; N288-Y418 PolarHBondContact ND2-OH 3.22Å; A290-Y418 WeakPolarHBondContact O-CD1 3.38Å; G291-Y418 VanDerWaalsContact CA-CG 3.44Å; G291-Y418 VanDerWaalsContact N-CD1 3.3Å; L414-Y418 HydrophobicContact CD2-CE2 4.07Å; L414-Y418 WeakPolarHBondContact O-CD2 3.09Å; L414-Y418 PolarHBondContact O-N 2.86Å; Y415-Y418 PolarHBondContact O-N 2.86Å
419E88.2Confident91.5Very high87 Ų8721.7 Ų21.741%0.40711%0.106SC..THydrogen-bonded Turntrans-111.9-23.1-171.2-59.9-167174.700113.6R292 Y415R292-E419 IonicContact CZ-OE1 3.58Å; R292-E419 IonicContact NH1-OE1 2.73Å; R292-E419 PolarHBondContact NH1-OE1 3.43Å; R292-E419 IonicContact NH2-OE1 3.81Å; R292-E419 PolarHBondContact NH2-OE1 2.86Å; R292-E419 IonicContact NH2-OE2 3.85Å; Y415-E419 HydrophobicContact CD1-CG 4.35Å; Y415-E419 CarbonylContact O-C 3.59Å; Y415-E419 WeakPolarHBondContact O-CA 3.45Å; Y415-E419 PolarHBondContact O-N 3.41Å
420S87.3Confident91.4Very high7 Ų724.2 Ų24.25%0.04912%0.115CC..SBendtrans96.2-169.3-163-163.50000113Y415 Y416 A422Y415-S420 CarbonylContact C-O 3.52Å; Y415-S420 CarbonylContact O-C 3.55Å; Y415-S420 PolarHBondContact O-N 3.45Å; Y416-S420 WeakPolarHBondContact CA-O 3.17Å; Y416-S420 PolarHBondContact N-O 3.06Å; Y416-S420 WeakPolarHBondContact O-CA 3.42Å; Y416-S420 PolarHBondContact O-N 3.14Å; S420-A422 PolarHBondContact O-N 3.18Å; S420-A422 VanDerWaalsContact O-N 3.08Å
421V90.7Very high91.2Very high4 Ų426.2 Ų26.22%0.02412%0.124CC..  trans-59.3112.5-168.3178.90000111.4P93 W412 S423 W424 K451P93-V421 HydrophobicContact CB-CG1 3.91Å; P93-V421 HydrophobicContact CB-CG2 4.22Å; P93-V421 HydrophobicContact CG-CG2 4.11Å; W412-V421 HydrophobicContact CZ2-CG1 4.36Å; V421-S423 VanDerWaalsContact CG1-C 3.46Å; V421-S423 WeakPolarHBondContact CG1-O 3.48Å; V421-W424 HydrophobicContact CB-CD2 4.46Å; V421-W424 HydrophobicContact CB-CZ2 4.34Å; V421-W424 HydrophobicContact CG1-CD2 3.82Å; V421-W424 HydrophobicContact CG1-CE3 4.18Å; V421-W424 HydrophobicContact CG1-CG 4.02Å; V421-W424 HydrophobicContact CG2-CH2 4.07Å; V421-W424 HydrophobicContact CG2-CZ2 4.19Å; V421-W424 HydrophobicContact CG2-CZ3 4.25Å; V421-K451 VanDerWaalsContact O-CD 3.32Å; V421-K451 WeakPolarHBondContact O-CD 3.49Å; V421-K451 VanDerWaalsContact O-CE 3.24Å; V421-K451 WeakPolarHBondContact O-CE 3.42Å; V421-K451 PolarHBondContact O-NZ 3.33Å
422A91.3Very high91Very high16 Ų1626.4 Ų26.413%0.13213%0.125CC..SBendtrans-70.6-35.4176.600000112.9W412 Y415 S420 F449 K451W412-A422 HydrophobicContact CG-CB 4.43Å; Y415-A422 HydrophobicContact CD2-CB 3.61Å; Y415-A422 HydrophobicContact CG-CB 4.04Å; S420-A422 PolarHBondContact O-N 3.18Å; S420-A422 VanDerWaalsContact O-N 3.08Å; A422-F449 HydrophobicContact CB-CB 4.11Å; A422-F449 HydrophobicContact CB-CD2 3.96Å; A422-F449 HydrophobicContact CB-CG 4.03Å; A422-K451 WeakPolarHBondContact O-CA 3.36Å
423S92.5Very high90.6Very high8 Ų826.7 Ų26.76%0.05613%0.127CC..  trans-151.3128.1174.1175.70000110W412 V421 E425 W426 V450 K451W412-S423 PolarHBondContact NE1-O 3.38Å; W412-S423 VanDerWaalsContact NE1-O 3.11Å; V421-S423 VanDerWaalsContact CG1-C 3.46Å; V421-S423 WeakPolarHBondContact CG1-O 3.48Å; S423-E425 VanDerWaalsContact C-N 3.28Å; S423-E425 PolarHBondContact OG-N 3.22Å; S423-W426 WeakPolarHBondContact OG-CB 3.19Å; S423-W426 PolarHBondContact OG-N 3.27Å; S423-W426 VanDerWaalsContact OG-N 3.14Å; S423-V450 WeakPolarHBondContact CB-O 2.97Å; S423-V450 PolarHBondContact OG-O 3.33Å; S423-K451 WeakPolarHBondContact CA-O 3.29Å
424W91.6Very high90.4Very high22 Ų2226.9 Ų26.98%0.08313%0.128CC..SBendtrans-70-26.6176.6-72.1104.2000113V91 P93 R94 V421 K451 A453 S454V91-W424 WeakPolarHBondContact O-CZ3 3.41Å; P93-W424 HydrophobicContact CB-CE3 4.17Å; P93-W424 HydrophobicContact CB-CZ3 4.49Å; R94-W424 VanDerWaalsContact CB-O 3.29Å; R94-W424 WeakPolarHBondContact CB-O 3.43Å; R94-W424 PolarHBondContact N-O 2.9Å; V421-W424 HydrophobicContact CB-CD2 4.46Å; V421-W424 HydrophobicContact CB-CZ2 4.34Å; V421-W424 HydrophobicContact CG1-CD2 3.82Å; V421-W424 HydrophobicContact CG1-CE3 4.18Å; V421-W424 HydrophobicContact CG1-CG 4.02Å; V421-W424 HydrophobicContact CG2-CH2 4.07Å; V421-W424 HydrophobicContact CG2-CZ2 4.19Å; V421-W424 HydrophobicContact CG2-CZ3 4.25Å; W424-K451 PolarHBondContact N-O 3.33Å; W424-A453 VanDerWaalsContact CB-C 3.42Å; W424-A453 VanDerWaalsContact CB-O 3.25Å; W424-A453 WeakPolarHBondContact CB-O 3.28Å; W424-S454 VanDerWaalsContact CE3-CB 3.49Å
425E91.7Very high90.1Very high101 Ų10126.9 Ų26.947%0.47213%0.128SC..SBendtrans-100.3-21.2-173.1-67.3172.7-153.300113.4R94 S423 L511R94-E425 WeakPolarHBondContact CD-O 3.14Å; R94-E425 PolarHBondContact NH1-O 3.01Å; S423-E425 VanDerWaalsContact C-N 3.28Å; S423-E425 PolarHBondContact OG-N 3.22Å; E425-L511 HydrophobicContact CG-CD1 4.5Å
426W91.8Very high89.9Confident35 Ų3525.1 Ų25.113%0.13312%0.121CC..  trans-67.1142.7176.9-172.792.1000111A95 L256 W412 S423 F449A95-W426 PolarHBondContact N-O 2.93Å; L256-W426 HydrophobicContact CD2-CH2 4.3Å; W412-W426 HydrophobicContact CB-CD2 4.32Å; W412-W426 HydrophobicContact CB-CE3 3.89Å; W412-W426 HydrophobicContact CB-CH2 4.36Å; W412-W426 HydrophobicContact CB-CZ3 3.91Å; W412-W426 AromaticContact CD1-CD2 3.72Å; W412-W426 AromaticContact CD1-CE3 3.44Å; W412-W426 VanDerWaalsContact CD1-CE3 3.44Å; W412-W426 AromaticContact CD1-CG 3.95Å; W412-W426 AromaticContact CD2-CE3 3.58Å; W412-W426 HydrophobicContact CD2-CE3 3.58Å; W412-W426 AromaticContact CD2-CZ3 3.85Å; W412-W426 HydrophobicContact CD2-CZ3 3.85Å; W412-W426 AromaticContact CE2-CE3 3.84Å; W412-W426 HydrophobicContact CE3-CE3 4.26Å; W412-W426 HydrophobicContact CE3-CZ3 4.11Å; W412-W426 AromaticContact CG-CD2 3.96Å; W412-W426 HydrophobicContact CG-CD2 3.96Å; W412-W426 AromaticContact CG-CE3 3.36Å; W412-W426 HydrophobicContact CG-CE3 3.36Å; W412-W426 AromaticContact CG-CZ3 3.75Å; W412-W426 HydrophobicContact CG-CZ3 3.75Å; W412-W426 AromaticContact NE1-CE3 3.7Å; S423-W426 WeakPolarHBondContact OG-CB 3.19Å; S423-W426 PolarHBondContact OG-N 3.27Å; S423-W426 VanDerWaalsContact OG-N 3.14Å; W426-F449 HydrophobicContact CB-CD1 4.48Å; W426-F449 AromaticContact CD1-CE1 3.85Å; W426-F449 HydrophobicContact CD2-CE1 4.21Å; W426-F449 HydrophobicContact CG-CD1 4.14Å; W426-F449 HydrophobicContact CG-CE1 4.05Å; W426-F449 AromaticContact NE1-CE1 3.9Å
427F91.4Very high89.8Confident32 Ų3225.8 Ų25.814%0.1413%0.125CC..  trans-153.8159.7170.274.9-67.3000109R94 A95 N98 P429 F508R94-F427 VanDerWaalsContact CD-CD1 3.42Å; R94-F427 HydrophobicContact CG-CB 4.19Å; R94-F427 HydrophobicContact CG-CD1 4.35Å; R94-F427 HydrophobicContact CG-CG 4.36Å; R94-F427 VanDerWaalsContact CZ-CD1 3.43Å; R94-F427 VanDerWaalsContact NE-CD1 3.33Å; A95-F427 HydrophobicContact CB-CB 4.32Å; N98-F427 WeakPolarHBondContact ND2-CD2 3.25Å; F427-P429 HydrophobicContact CD2-CB 4.41Å; F427-P429 HydrophobicContact CE1-CB 4.46Å; F427-P429 VanDerWaalsContact CE2-CA 3.48Å; F427-P429 HydrophobicContact CE2-CB 3.73Å; F427-P429 HydrophobicContact CZ-CB 3.77Å; F427-P429 WeakPolarHBondContact O-CD 3.47Å; F427-F508 HydrophobicContact CD2-CD1 4.09Å; F427-F508 HydrophobicContact CD2-CE1 4.5Å; F427-F508 HydrophobicContact CD2-CG 4.44Å; F427-F508 HydrophobicContact CE2-CB 3.74Å; F427-F508 AromaticContact CE2-CD1 3.64Å; F427-F508 HydrophobicContact CE2-CD1 3.64Å; F427-F508 HydrophobicContact CE2-CD2 4.09Å; F427-F508 HydrophobicContact CE2-CE1 4.25Å; F427-F508 AromaticContact CE2-CG 3.55Å; F427-F508 HydrophobicContact CE2-CG 3.55Å; F427-F508 HydrophobicContact CZ-CB 4.11Å; F427-F508 HydrophobicContact CZ-CG 4.32Å
428Y90.2Very high89.5Confident11 Ų1128.8 Ų28.84%0.04314%0.142CC..  trans-79113.7171.1-173.6-107.7000109.7L256 P257 Q405 V406 Y430 Y432L256-Y428 HydrophobicContact CD2-CD2 4.08Å; L256-Y428 HydrophobicContact CD2-CG 3.97Å; P257-Y428 VanDerWaalsContact CD-CD1 3.44Å; P257-Y428 HydrophobicContact CG-CD1 3.9Å; P257-Y428 HydrophobicContact CG-CE1 3.48Å; P257-Y428 VanDerWaalsContact CG-CE1 3.48Å; Q405-Y428 WeakPolarHBondContact O-CE2 3.08Å; V406-Y428 HydrophobicContact CB-CE2 4.39Å; V406-Y428 HydrophobicContact CG2-CE2 3.75Å; V406-Y428 VanDerWaalsContact CG2-OH 3.27Å; V406-Y428 WeakPolarHBondContact CG2-OH 3.06Å; Y428-Y430 WeakPolarHBondContact CD1-O 3.4Å; Y428-Y430 HydrophobicContact CE1-CD2 4.18Å; Y428-Y430 HydrophobicContact CE1-CG 4.39Å; Y428-Y430 WeakPolarHBondContact CE1-O 3.49Å; Y428-Y430 AromaticContact CE2-CD2 3.97Å; Y428-Y430 HydrophobicContact CE2-CD2 3.97Å; Y428-Y430 AromaticContact CZ-CD2 3.78Å; Y428-Y430 PolarHBondContact O-N 3.05Å; Y428-Y430 VanDerWaalsContact O-N 3.14Å; Y428-Y432 VanDerWaalsContact CE1-O 3.26Å; Y428-Y432 WeakPolarHBondContact CE1-O 3.17Å; Y428-Y432 PolarHBondContact OH-O 2.92Å
429P88.8Confident89.3Confident55 Ų5528.4 Ų28.436%0.35714%0.141SC..  trans-88.430.2-167.637.3-35.9000113.7F427 F508F427-P429 HydrophobicContact CD2-CB 4.41Å; F427-P429 HydrophobicContact CE1-CB 4.46Å; F427-P429 VanDerWaalsContact CE2-CA 3.48Å; F427-P429 HydrophobicContact CE2-CB 3.73Å; F427-P429 HydrophobicContact CZ-CB 3.77Å; F427-P429 WeakPolarHBondContact O-CD 3.47Å; P429-F508 WeakPolarHBondContact O-CE2 3.32Å
430Y87.8Confident89.2Confident54 Ų5429.6 Ų29.621%0.21215%0.145CC..  trans-139.3146.1-179.7-52.1-75.2000110.9L401 D402 E404 Y428 Y432L401-Y430 HydrophobicContact CD2-CD1 4.07Å; L401-Y430 HydrophobicContact CD2-CG 4.01Å; D402-Y430 WeakPolarHBondContact O-CE1 3.38Å; D402-Y430 PolarHBondContact O-OH 3.19Å; E404-Y430 PolarHBondContact N-OH 3.09Å; Y428-Y430 WeakPolarHBondContact CD1-O 3.4Å; Y428-Y430 HydrophobicContact CE1-CD2 4.18Å; Y428-Y430 HydrophobicContact CE1-CG 4.39Å; Y428-Y430 WeakPolarHBondContact CE1-O 3.49Å; Y428-Y430 AromaticContact CE2-CD2 3.97Å; Y428-Y430 HydrophobicContact CE2-CD2 3.97Å; Y428-Y430 AromaticContact CZ-CD2 3.78Å; Y428-Y430 PolarHBondContact O-N 3.05Å; Y428-Y430 VanDerWaalsContact O-N 3.14Å; Y430-Y432 VanDerWaalsContact C-N 3.3Å
431H88Confident89.1Confident53 Ų5332.4 Ų32.425%0.24518%0.175CC..SBendtrans-78.8-17.7177.4-60.195.6000112.9V503 L506 F508H431-V503 HydrophobicContact CB-CG1 3.93Å; H431-L506 PolarHBondContact CE1-O 3.34Å; H431-L506 PolarHBondContact NE2-O 3.35Å; H431-F508 AromaticContact CD2-CZ 3.95Å; H431-F508 AromaticContact CE1-CE2 3.65Å; H431-F508 AromaticContact CE1-CZ 3.64Å; H431-F508 AromaticContact ND1-CZ 3.92Å; H431-F508 AromaticContact NE2-CZ 3.65Å
432Y87.8Confident88.9Confident7 Ų732.3 Ų32.33%0.02717%0.174CC..SBendtrans-127.5160.7-175.9-53.6-87.2000110.9K400 L401 Y428 Y430 D492 N494 V503 K505K400-Y432 HydrophobicContact CB-CD1 4.42Å; K400-Y432 HydrophobicContact CB-CD2 3.63Å; K400-Y432 HydrophobicContact CB-CE2 3.99Å; K400-Y432 HydrophobicContact CB-CG 3.86Å; K400-Y432 HydrophobicContact CD-CD1 3.91Å; K400-Y432 HydrophobicContact CD-CE1 3.95Å; K400-Y432 HydrophobicContact CD-CG 4.2Å; K400-Y432 HydrophobicContact CG-CD1 4.4Å; K400-Y432 HydrophobicContact CG-CD2 4.18Å; K400-Y432 HydrophobicContact CG-CE1 4.32Å; K400-Y432 HydrophobicContact CG-CE2 4.12Å; K400-Y432 HydrophobicContact CG-CG 4.31Å; K400-Y432 VanDerWaalsContact O-CD2 3.24Å; K400-Y432 WeakPolarHBondContact O-CD2 3.45Å; L401-Y432 WeakPolarHBondContact CD2-O 3.13Å; Y428-Y432 VanDerWaalsContact CE1-O 3.26Å; Y428-Y432 WeakPolarHBondContact CE1-O 3.17Å; Y428-Y432 PolarHBondContact OH-O 2.92Å; Y430-Y432 VanDerWaalsContact C-N 3.3Å; Y432-D492 VanDerWaalsContact CE1-OD2 3.23Å; Y432-D492 WeakPolarHBondContact CE1-OD2 3.11Å; Y432-D492 VanDerWaalsContact CZ-OD2 3.27Å; Y432-D492 WeakPolarHBondContact OH-CB 3.36Å; Y432-D492 PolarHBondContact OH-OD2 3.32Å; Y432-N494 HydrophobicContact CE1-CB 4.2Å; Y432-V503 HydrophobicContact CE1-CB 4.47Å; Y432-V503 HydrophobicContact CE1-CG1 4.3Å; Y432-V503 HydrophobicContact CE1-CG2 4.29Å; Y432-K505 WeakPolarHBondContact OH-CE 3.42Å
433S87Confident88.7Confident5 Ų535.3 Ų35.34%0.03519%0.186CC..  trans-104.4150.5174.151.20000109.4H258 L259 P260 Y396H258-S433 PolarHBondContact O-OG 2.7Å; L259-S433 VanDerWaalsContact CA-OG 3.32Å; L259-S433 WeakPolarHBondContact CA-OG 3.08Å; P260-S433 WeakPolarHBondContact CD-OG 3.41Å; Y396-S433 WeakPolarHBondContact CE1-O 3.33Å; Y396-S433 PolarHBondContact OH-O 3.47Å
434P87.6Confident88.4Confident4 Ų442.7 Ų42.73%0.02622%0.224CC..  trans-73.4168.2170.836.5-38.6000111.3P260 Y397 L401 V406 L439P260-P434 WeakPolarHBondContact CD-O 3.42Å; Y397-P434 HydrophobicContact CE1-CB 3.77Å; L401-P434 HydrophobicContact CD1-CB 4.42Å; V406-P434 HydrophobicContact CB-CG 4.29Å; V406-P434 HydrophobicContact CG2-CG 3.46Å; V406-P434 VanDerWaalsContact CG2-CG 3.46Å; P434-L439 HydrophobicContact CG-CD2 3.56Å; P434-L439 HydrophobicContact CG-CG 4.25Å
435F88Confident88.1Confident2 Ų244 Ų441%0.00923%0.234CC..  trans-63146.4171.1-73.7-84.1000111P260 D309 Y392 R393 Y396 Y397 T437 D438 L439P260-F435 HydrophobicContact CB-CD1 3.71Å; P260-F435 HydrophobicContact CB-CE1 3.57Å; P260-F435 HydrophobicContact CB-CG 4.37Å; P260-F435 HydrophobicContact CB-CZ 4.13Å; P260-F435 HydrophobicContact CG-CD1 4.02Å; P260-F435 HydrophobicContact CG-CD2 4.5Å; P260-F435 HydrophobicContact CG-CE1 4.2Å; P260-F435 HydrophobicContact CG-CG 4.18Å; D309-F435 HydrophobicContact CB-CD1 4.35Å; Y392-F435 HydrophobicContact CD1-CZ 4.35Å; Y392-F435 HydrophobicContact CE1-CE1 4.23Å; Y392-F435 AromaticContact CE1-CZ 3.69Å; Y392-F435 HydrophobicContact CE1-CZ 3.69Å; R393-F435 HydrophobicContact CB-CD2 4.08Å; R393-F435 HydrophobicContact CB-CE2 4.21Å; R393-F435 HydrophobicContact CG-CD2 3.59Å; R393-F435 HydrophobicContact CG-CE2 3.75Å; R393-F435 HydrophobicContact CG-CG 4.08Å; R393-F435 HydrophobicContact CG-CZ 4.37Å; Y396-F435 HydrophobicContact CD1-CD2 4.11Å; Y396-F435 AromaticContact CD1-CE2 3.65Å; Y396-F435 HydrophobicContact CD1-CE2 3.65Å; Y396-F435 AromaticContact CD2-CE2 3.87Å; Y396-F435 HydrophobicContact CD2-CE2 3.87Å; Y396-F435 HydrophobicContact CD2-CZ 4.07Å; Y396-F435 HydrophobicContact CE1-CD2 4.5Å; Y396-F435 HydrophobicContact CE1-CE2 4.22Å; Y396-F435 HydrophobicContact CE2-CE2 4.39Å; Y396-F435 HydrophobicContact CG-CD2 4.39Å; Y396-F435 AromaticContact CG-CE2 3.48Å; Y396-F435 HydrophobicContact CG-CE2 3.48Å; Y396-F435 VanDerWaalsContact CG-CE2 3.48Å; Y396-F435 HydrophobicContact CG-CZ 4.14Å; Y397-F435 HydrophobicContact CE1-CD2 4.49Å; Y397-F435 PolarHBondContact OH-N 3.41Å; Y397-F435 VanDerWaalsContact OH-N 3.11Å; F435-T437 PolarHBondContact O-N 2.93Å; F435-D438 PolarHBondContact O-N 3.15Å; F435-L439 PolarHBondContact O-N 3.43Å
436I88.9Confident87.8Confident1 Ų143.9 Ų43.91%0.00524%0.237CC..G310 helixtrans-60.4-35.3176.5-59.5174.9000110L259 L262 F302 L305 D309 D438 L439L259-I436 HydrophobicContact CB-CD1 4.35Å; L259-I436 HydrophobicContact CB-CG1 4.18Å; L259-I436 HydrophobicContact CD1-CD1 3.77Å; L259-I436 HydrophobicContact CD1-CG1 3.71Å; L259-I436 HydrophobicContact CD2-CG1 3.99Å; L259-I436 HydrophobicContact CG-CG1 4.16Å; L262-I436 HydrophobicContact CD1-CD1 4.21Å; L262-I436 HydrophobicContact CD2-CD1 4.5Å; L262-I436 HydrophobicContact CG-CD1 4.45Å; F302-I436 HydrophobicContact CB-CG2 4.09Å; F302-I436 HydrophobicContact CD1-CG2 4.37Å; F302-I436 HydrophobicContact CG-CG2 4.12Å; L305-I436 HydrophobicContact CB-CD1 4.09Å; L305-I436 HydrophobicContact CB-CG2 3.96Å; D309-I436 PolarHBondContact OD2-N 3.05Å; I436-D438 PolarHBondContact O-N 3.15Å; I436-D438 VanDerWaalsContact O-N 3.12Å; I436-L439 WeakPolarHBondContact O-CB 3.44Å; I436-L439 PolarHBondContact O-N 3.05Å
437T89.5Confident87.7Confident14 Ų1443.4 Ų43.49%0.08624%0.237CC..G310 helixtrans-53.3-31174.7-560000113.5D309 F389 F435 K440D309-T437 WeakPolarHBondContact CB-OG1 3.46Å; D309-T437 PolarHBondContact OD2-N 2.59Å; D309-T437 PolarHBondContact OD2-OG1 3.35Å; F389-T437 HydrophobicContact CE1-CG2 4.03Å; F435-T437 PolarHBondContact O-N 2.93Å; T437-K440 VanDerWaalsContact O-CE 3.23Å; T437-K440 WeakPolarHBondContact O-CE 3.48Å
438D87.8Confident87.6Confident66 Ų6648.8 Ų48.835%0.35326%0.263SS..G310 helixtrans-93.2-8.3179-70.3-55.9000113.8R393 Y397 F435 I436 K440R393-D438 IonicContact CZ-OD1 3.83Å; R393-D438 IonicContact CZ-OD2 3.94Å; R393-D438 IonicContact NE-OD2 2.58Å; R393-D438 IonicContact NH1-OD1 3.64Å; R393-D438 PolarHBondContact NH1-OD1 2.66Å; R393-D438 IonicContact NH1-OD2 3.61Å; R393-D438 PolarHBondContact NH1-OD2 3.28Å; Y397-D438 WeakPolarHBondContact CE2-OD2 3.23Å; Y397-D438 WeakPolarHBondContact OH-CB 3.18Å; Y397-D438 VanDerWaalsContact OH-CG 3.28Å; Y397-D438 PolarHBondContact OH-OD2 3.14Å; F435-D438 PolarHBondContact O-N 3.15Å; I436-D438 PolarHBondContact O-N 3.15Å; I436-D438 VanDerWaalsContact O-N 3.12Å; D438-K440 VanDerWaalsContact C-N 3.32Å; D438-K440 PolarHBondContact O-N 3.46Å
439L87.8Confident87.7Confident13 Ų1350 Ų507%0.06827%0.268CS..  trans-78.885.6172.7-61.5179.8000108.5L259 F302 V406 P434 F435 I436 F442L259-L439 HydrophobicContact CD2-CD1 3.89Å; F302-L439 HydrophobicContact CD2-CB 3.76Å; F302-L439 HydrophobicContact CD2-CD1 4.17Å; F302-L439 HydrophobicContact CE2-CB 4Å; F302-L439 HydrophobicContact CE2-CD1 3.66Å; F302-L439 HydrophobicContact CE2-CG 4.47Å; F302-L439 HydrophobicContact CZ-CD1 4.31Å; V406-L439 HydrophobicContact CB-CD2 3.69Å; V406-L439 HydrophobicContact CG1-CD1 4.27Å; V406-L439 HydrophobicContact CG1-CD2 3.88Å; V406-L439 HydrophobicContact CG2-CD2 4.22Å; P434-L439 HydrophobicContact CG-CD2 3.56Å; P434-L439 HydrophobicContact CG-CG 4.25Å; F435-L439 PolarHBondContact O-N 3.43Å; I436-L439 WeakPolarHBondContact O-CB 3.44Å; I436-L439 PolarHBondContact O-N 3.05Å; L439-F442 HydrophobicContact CB-CE1 4.36Å; L439-F442 VanDerWaalsContact O-CE1 3.29Å; L439-F442 WeakPolarHBondContact O-CE1 3.47Å
440K86Confident87.9Confident112 Ų11253.1 Ų53.149%0.48729%0.286SS..  trans-140.5160.1179.7-63.4-172.1173.5-163.60110.6E303 T437 D438 F442E303-K440 IonicContact OE1-NZ 2.69Å; E303-K440 WeakPolarHBondContact OE2-CE 3.43Å; E303-K440 IonicContact OE2-NZ 2.75Å; E303-K440 PolarHBondContact OE2-NZ 3.37Å; T437-K440 VanDerWaalsContact O-CE 3.23Å; T437-K440 WeakPolarHBondContact O-CE 3.48Å; D438-K440 VanDerWaalsContact C-N 3.32Å; D438-K440 PolarHBondContact O-N 3.46Å; K440-F442 VanDerWaalsContact C-N 3.29Å; K440-F442 PolarHBondContact O-N 2.86Å
441G84.1Confident87.9Confident66 Ų6654.5 Ų54.568%0.6829%0.293SS*.SBendtrans72.420.817400000114.2E443G441-E443 WeakPolarHBondContact CA-OE2 3.45Å; G441-E443 PolarHBondContact N-OE2 3.43Å
442F87.1Confident87.9Confident1 Ų153.7 Ų53.70%0.00430%0.299CS..  trans-97.41.6-177.959.7-103000113.6L295 L298 A299 F302 D407 L439 K440 D444 V445L295-F442 HydrophobicContact CB-CD2 4.36Å; L295-F442 HydrophobicContact CB-CE2 4.42Å; L295-F442 WeakPolarHBondContact CD1-O 3.47Å; L295-F442 HydrophobicContact CD2-CD2 4.07Å; L295-F442 HydrophobicContact CD2-CE2 4.25Å; L298-F442 HydrophobicContact CB-CE2 4.1Å; L298-F442 HydrophobicContact CB-CZ 4.4Å; L298-F442 HydrophobicContact CD2-CE2 3.75Å; L298-F442 HydrophobicContact CD2-CZ 4.11Å; L298-F442 HydrophobicContact CG-CE2 3.83Å; L298-F442 HydrophobicContact CG-CZ 3.86Å; A299-F442 HydrophobicContact CB-CE2 4.41Å; A299-F442 HydrophobicContact CB-CZ 4.12Å; F302-F442 AromaticContact CD2-CE1 3.69Å; F302-F442 HydrophobicContact CD2-CE1 3.69Å; F302-F442 AromaticContact CD2-CZ 3.7Å; F302-F442 HydrophobicContact CD2-CZ 3.7Å; F302-F442 HydrophobicContact CE2-CE1 4.27Å; F302-F442 HydrophobicContact CE2-CZ 4.23Å; F302-F442 HydrophobicContact CG-CZ 4.41Å; D407-F442 HydrophobicContact CB-CB 3.85Å; D407-F442 HydrophobicContact CB-CG 4.18Å; D407-F442 WeakPolarHBondContact OD1-CD1 3.09Å; D407-F442 WeakPolarHBondContact OD2-CB 3.18Å; L439-F442 HydrophobicContact CB-CE1 4.36Å; L439-F442 VanDerWaalsContact O-CE1 3.29Å; L439-F442 WeakPolarHBondContact O-CE1 3.47Å; K440-F442 VanDerWaalsContact C-N 3.29Å; K440-F442 PolarHBondContact O-N 2.86Å; F442-D444 PolarHBondContact O-N 2.73Å; F442-D444 VanDerWaalsContact O-N 3.1Å; F442-V445 HydrophobicContact CB-CG2 3.9Å; F442-V445 VanDerWaalsContact O-CB 3.31Å; F442-V445 WeakPolarHBondContact O-CB 3.44Å; F442-V445 WeakPolarHBondContact O-CG2 3.23Å; F442-V445 PolarHBondContact O-N 3.15Å
443E87.8Confident87.8Confident80 Ų8055.4 Ų55.437%0.37432%0.315SS..THydrogen-bonded Turntrans-58.2-29.3-171.2-63.992.3145.900113.4L295 A299 G441L295-E443 WeakPolarHBondContact CD1-O 3.4Å; A299-E443 HydrophobicContact CB-CG 3.97Å; G441-E443 WeakPolarHBondContact CA-OE2 3.45Å; G441-E443 PolarHBondContact N-OE2 3.43Å
444D84.9Confident87.9Confident162 Ų16255.7 Ų55.787%0.86632%0.317SS*.THydrogen-bonded Turntrans-104.79.5-179.5-63.1-44.8000113.4F442 N446F442-D444 PolarHBondContact O-N 2.73Å; F442-D444 VanDerWaalsContact O-N 3.1Å; D444-N446 PolarHBondContact O-N 2.98Å
445V86.4Confident88Confident49 Ų4956.6 Ų56.630%0.29732%0.321SS..  trans-63.8134.4-177.4167.10000111.2R408 F442 L447R408-V445 HydrophobicContact CG-CG1 3.91Å; F442-V445 HydrophobicContact CB-CG2 3.9Å; F442-V445 VanDerWaalsContact O-CB 3.31Å; F442-V445 WeakPolarHBondContact O-CB 3.44Å; F442-V445 WeakPolarHBondContact O-CG2 3.23Å; F442-V445 PolarHBondContact O-N 3.15Å; V445-L447 HydrophobicContact CG1-CD2 4.17Å; V445-L447 PolarHBondContact O-N 3.48Å
446N85.8Confident87.9Confident99 Ų9959.1 Ų59.153%0.52934%0.335SS..  trans-72.9111.6173.8-174.5-1.1000111.3D444 Q448D444-N446 PolarHBondContact O-N 2.98Å; N446-Q448 VanDerWaalsContact C-N 3.33Å; N446-Q448 PolarHBondContact O-N 2.72Å; N446-Q448 VanDerWaalsContact OD1-CB 3.23Å; N446-Q448 WeakPolarHBondContact OD1-CB 3.27Å; N446-Q448 WeakPolarHBondContact OD1-CG 3.47Å; N446-Q448 PolarHBondContact OD1-N 2.98Å
447L89.3Confident87.8Confident25 Ų2560.5 Ų60.513%0.13134%0.344CS..  trans-91.318.1179.5-66.2-176.4000114.4L295 R408 Q411 V445 F449L295-L447 HydrophobicContact CD1-CD1 3.89Å; L295-L447 HydrophobicContact CD1-CG 4.26Å; L295-L447 HydrophobicContact CD2-CD1 4.05Å; L295-L447 HydrophobicContact CG-CD1 4.13Å; R408-L447 HydrophobicContact CG-CD2 4.43Å; Q411-L447 HydrophobicContact CB-CD1 4.1Å; Q411-L447 HydrophobicContact CB-CD2 3.83Å; Q411-L447 HydrophobicContact CB-CG 4.39Å; Q411-L447 HydrophobicContact CG-CB 4.05Å; Q411-L447 HydrophobicContact CG-CD1 3.86Å; Q411-L447 HydrophobicContact CG-CD2 4.19Å; Q411-L447 HydrophobicContact CG-CG 4.25Å; V445-L447 HydrophobicContact CG1-CD2 4.17Å; V445-L447 PolarHBondContact O-N 3.48Å; L447-F449 VanDerWaalsContact O-CD2 3.23Å; L447-F449 WeakPolarHBondContact O-CD2 3.43Å; L447-F449 WeakPolarHBondContact O-CE2 3.46Å
448Q89.9Confident87.6Confident145 Ų14560.3 Ų60.368%0.67834%0.342SS*.  trans-77.1141.3174.8-68.8175.210.900112R408 N446R408-Q448 PolarHBondContact NH2-O 3.32Å; R408-Q448 VanDerWaalsContact NH2-O 3.09Å; N446-Q448 VanDerWaalsContact C-N 3.33Å; N446-Q448 PolarHBondContact O-N 2.72Å; N446-Q448 VanDerWaalsContact OD1-CB 3.23Å; N446-Q448 WeakPolarHBondContact OD1-CB 3.27Å; N446-Q448 WeakPolarHBondContact OD1-CG 3.47Å; N446-Q448 PolarHBondContact OD1-N 2.98Å
449F91.9Very high87.5Confident36 Ų3657.3 Ų57.316%0.15833%0.326CS..  trans-123.4138.1177.9-66.1-80.1000110.5R408 Q411 W412 Y415 A422 W426 L447R408-F449 HydrophobicContact CB-CE1 4.46Å; R408-F449 HydrophobicContact CB-CZ 4.25Å; R408-F449 VanDerWaalsContact O-CZ 3.27Å; R408-F449 WeakPolarHBondContact O-CZ 3.44Å; Q411-F449 HydrophobicContact CB-CE2 4.41Å; Q411-F449 HydrophobicContact CG-CE2 4.06Å; W412-F449 HydrophobicContact CB-CE1 3.9Å; W412-F449 HydrophobicContact CB-CE2 4.31Å; W412-F449 HydrophobicContact CB-CZ 3.72Å; W412-F449 AromaticContact CD1-CD1 3.78Å; W412-F449 AromaticContact CD1-CE1 3.79Å; W412-F449 HydrophobicContact CG-CE1 4.26Å; W412-F449 HydrophobicContact CG-CZ 4.48Å; Y415-F449 AromaticContact CD2-CD2 3.86Å; Y415-F449 HydrophobicContact CD2-CD2 3.86Å; Y415-F449 AromaticContact CD2-CE2 3.9Å; Y415-F449 HydrophobicContact CD2-CE2 3.9Å; Y415-F449 AromaticContact CE2-CD2 3.76Å; Y415-F449 HydrophobicContact CE2-CD2 3.76Å; Y415-F449 AromaticContact CE2-CE2 3.79Å; Y415-F449 HydrophobicContact CE2-CE2 3.79Å; A422-F449 HydrophobicContact CB-CB 4.11Å; A422-F449 HydrophobicContact CB-CD2 3.96Å; A422-F449 HydrophobicContact CB-CG 4.03Å; W426-F449 HydrophobicContact CB-CD1 4.48Å; W426-F449 AromaticContact CD1-CE1 3.85Å; W426-F449 HydrophobicContact CD2-CE1 4.21Å; W426-F449 HydrophobicContact CG-CD1 4.14Å; W426-F449 HydrophobicContact CG-CE1 4.05Å; W426-F449 AromaticContact NE1-CE1 3.9Å; L447-F449 VanDerWaalsContact O-CD2 3.23Å; L447-F449 WeakPolarHBondContact O-CD2 3.43Å; L447-F449 WeakPolarHBondContact O-CE2 3.46Å
450V91.7Very high87.5Confident122 Ų12257.7 Ų57.774%0.73933%0.327SS*.  trans-82.6116.2168.8-179.50000107.4S423 G452S423-V450 WeakPolarHBondContact CB-O 2.97Å; S423-V450 PolarHBondContact OG-O 3.33Å; V450-G452 PolarHBondContact O-N 3.29Å
451K89.5Confident87.3Confident83 Ų8354.5 Ų54.536%0.36131%0.314SS..  trans-51.5-43.4-177.8-171.273.2171.4-164.40111.9V421 A422 S423 W424V421-K451 VanDerWaalsContact O-CD 3.32Å; V421-K451 WeakPolarHBondContact O-CD 3.49Å; V421-K451 VanDerWaalsContact O-CE 3.24Å; V421-K451 WeakPolarHBondContact O-CE 3.42Å; V421-K451 PolarHBondContact O-NZ 3.33Å; A422-K451 WeakPolarHBondContact O-CA 3.36Å; S423-K451 WeakPolarHBondContact CA-O 3.29Å; W424-K451 PolarHBondContact N-O 3.33Å
452G88Confident87.2Confident36 Ų3651.5 Ų51.537%0.37128%0.282SS..  trans60.7-158.7-177.600000112V450V450-G452 PolarHBondContact O-N 3.29Å
453A85.7Confident87.1Confident43 Ų4351.5 Ų51.536%0.35528%0.283SS..  trans-126.6144.8178.600000111.2R158 W424R158-A453 VanDerWaalsContact NH2-CB 3.33Å; W424-A453 VanDerWaalsContact CB-C 3.42Å; W424-A453 VanDerWaalsContact CB-O 3.25Å; W424-A453 WeakPolarHBondContact CB-O 3.28Å
454S88Confident87Confident11 Ų1148.2 Ų48.28%0.07727%0.268CS..PPolyproline II helixtrans-60.1148.6168.172.30000110.3R158 W424R158-S454 VanDerWaalsContact CG-OG 3.25Å; R158-S454 WeakPolarHBondContact CG-OG 3.46Å; W424-S454 VanDerWaalsContact CE3-CB 3.49Å
455L89Confident86.8Confident23 Ų2341.7 Ų41.712%0.1223%0.233CC..PPolyproline II helixtrans-58.6160.8166.2-73.3-179000111.2V91 I97 C459 L511 L514V91-L455 HydrophobicContact CG1-CB 3.99Å; V91-L455 WeakPolarHBondContact CG1-O 3.37Å; I97-L455 HydrophobicContact CD1-CD1 3.71Å; L455-C459 HydrophobicContact CB-CB 4.09Å; L455-C459 HydrophobicContact CD1-CB 4.39Å; L455-C459 HydrophobicContact CD2-CB 4.17Å; L455-C459 HydrophobicContact CG-CB 4.46Å; L455-L511 HydrophobicContact CD1-CD2 4Å; L455-L511 HydrophobicContact CD2-CD2 4.2Å; L455-L514 HydrophobicContact CD1-CD2 3.93Å
456L87.4Confident86.4Confident55 Ų5539.7 Ų39.729%0.28822%0.221SC..PPolyproline II helixtrans-75.3152.4166.4-61.6179000109.9F458 C459 Q460 N533L456-F458 VanDerWaalsContact C-N 3.25Å; L456-F458 PolarHBondContact O-N 3.14Å; L456-F458 VanDerWaalsContact O-N 3.15Å; L456-C459 WeakPolarHBondContact O-CA 3.45Å; L456-C459 WeakPolarHBondContact O-CB 3.34Å; L456-C459 PolarHBondContact O-N 3.33Å; L456-Q460 PolarHBondContact O-N 2.96Å; L456-Q460 VanDerWaalsContact O-N 3.11Å; L456-N533 WeakPolarHBondContact CB-OD1 3.5Å
457P86.1Confident85.9Confident30 Ų3036.3 Ų36.320%0.19521%0.205CC..Hα-helixtrans-49.7-43-178.3-30.536.6000114.1V91 Q460 Q461V91-P457 HydrophobicContact CG2-CB 4.35Å; V91-P457 HydrophobicContact CG2-CG 4.07Å; P457-Q460 PolarHBondContact O-N 3.25Å; P457-Q461 PolarHBondContact O-N 2.92Å
458F84.7Confident85Confident9 Ų937 Ų374%0.03921%0.214CC..Hα-helixtrans-75.3-28.1-179.8-60.9-19.1000113.3L456 Q461 M462 T475 M518 L525 E529 R532 N533L456-F458 VanDerWaalsContact C-N 3.25Å; L456-F458 PolarHBondContact O-N 3.14Å; L456-F458 VanDerWaalsContact O-N 3.15Å; F458-Q461 PolarHBondContact O-N 3.1Å; F458-M462 VanDerWaalsContact O-CB 3.3Å; F458-M462 WeakPolarHBondContact O-CB 3.31Å; F458-M462 PolarHBondContact O-N 3Å; F458-T475 HydrophobicContact CB-CG2 4.06Å; F458-T475 HydrophobicContact CD1-CG2 3.69Å; F458-T475 WeakPolarHBondContact CD1-OG1 3.28Å; F458-T475 HydrophobicContact CD2-CG2 3.08Å; F458-T475 HydrophobicContact CE1-CG2 3.77Å; F458-T475 WeakPolarHBondContact CE1-OG1 3.16Å; F458-T475 HydrophobicContact CE2-CG2 3.17Å; F458-T475 HydrophobicContact CG-CG2 3.35Å; F458-T475 HydrophobicContact CZ-CG2 3.52Å; F458-M518 HydrophobicContact CB-CE 3.55Å; F458-L525 HydrophobicContact CD2-CD1 4.15Å; F458-L525 HydrophobicContact CD2-CD2 4.25Å; F458-L525 HydrophobicContact CE2-CD1 4.23Å; F458-L525 HydrophobicContact CE2-CD2 4.18Å; F458-E529 HydrophobicContact CE2-CB 3.92Å; F458-E529 WeakPolarHBondContact CE2-O 3.48Å; F458-E529 HydrophobicContact CZ-CB 4.19Å; F458-E529 WeakPolarHBondContact CZ-O 3.35Å; F458-R532 HydrophobicContact CE1-CB 4.23Å; F458-R532 HydrophobicContact CZ-CB 3.84Å; F458-N533 WeakPolarHBondContact CB-OD1 3.41Å; F458-N533 HydrophobicContact CD2-CB 3.37Å; F458-N533 WeakPolarHBondContact CD2-OD1 3.24Å; F458-N533 HydrophobicContact CE2-CB 3.46Å; F458-N533 VanDerWaalsContact CE2-CB 3.46Å; F458-N533 HydrophobicContact CG-CB 4Å; F458-N533 WeakPolarHBondContact CG-OD1 3.34Å; F458-N533 HydrophobicContact CZ-CB 4.16Å; F458-N533 PolarHBondContact N-OD1 2.8Å
459C87.1Confident84.2Confident4 Ų431 Ų313%0.02719%0.188CC..Hα-helixtrans-63.5-47.3171.6-59.20000110.2L455 L456 M462 A463 L514 M518L455-C459 HydrophobicContact CB-CB 4.09Å; L455-C459 HydrophobicContact CD1-CB 4.39Å; L455-C459 HydrophobicContact CD2-CB 4.17Å; L455-C459 HydrophobicContact CG-CB 4.46Å; L456-C459 WeakPolarHBondContact O-CA 3.45Å; L456-C459 WeakPolarHBondContact O-CB 3.34Å; L456-C459 PolarHBondContact O-N 3.33Å; C459-M462 PolarHBondContact O-N 3.44Å; C459-A463 WeakPolarHBondContact O-CB 3.32Å; C459-A463 PolarHBondContact O-N 3.33Å; C459-L514 HydrophobicContact CB-CD2 4.32Å; C459-M518 HydrophobicContact CB-CG 4.24Å; C459-M518 VanDerWaalsContact SG-CG 3.52Å
460Q87.7Confident83Confident20 Ų2034.4 Ų34.49%0.09320%0.2CC..Hα-helixtrans-62.7-45.1176174.7172.8-29.500111.7V91 I97 L456 P457 M462 A463 V464V91-Q460 VanDerWaalsContact C-OE1 3.31Å; V91-Q460 HydrophobicContact CG1-CB 4.48Å; I97-Q460 HydrophobicContact CD1-CB 4.28Å; I97-Q460 HydrophobicContact CD1-CG 4.01Å; I97-Q460 HydrophobicContact CG1-CG 4.14Å; L456-Q460 PolarHBondContact O-N 2.96Å; L456-Q460 VanDerWaalsContact O-N 3.11Å; P457-Q460 PolarHBondContact O-N 3.25Å; Q460-M462 PolarHBondContact O-N 2.89Å; Q460-A463 WeakPolarHBondContact O-CB 3.15Å; Q460-A463 PolarHBondContact O-N 3.2Å; Q460-V464 HydrophobicContact CG-CG1 4.32Å; Q460-V464 WeakPolarHBondContact O-CG2 3.41Å; Q460-V464 PolarHBondContact O-N 3.45Å; Q460-V464 VanDerWaalsContact O-N 3.1Å
461Q82Confident81.8Confident46 Ų4634.4 Ų34.422%0.21519%0.192CC..Hα-helixtrans-55.7-43.1177.6-175.9179.561.400111.3P457 F458 A463 L465 T475P457-Q461 PolarHBondContact O-N 2.92Å; F458-Q461 PolarHBondContact O-N 3.1Å; Q461-A463 VanDerWaalsContact C-N 3.33Å; Q461-L465 HydrophobicContact CG-CD1 3.69Å; Q461-L465 HydrophobicContact CG-CG 4.32Å; Q461-L465 WeakPolarHBondContact O-CB 3.34Å; Q461-L465 VanDerWaalsContact O-CG 3.3Å; Q461-L465 WeakPolarHBondContact O-CG 3.49Å; Q461-L465 PolarHBondContact O-N 2.74Å; Q461-T475 PolarHBondContact OE1-OG1 3.44Å
462M81.3Confident80.6Confident2 Ų233.6 Ų33.61%0.0119%0.191CC..Hα-helixtrans-68.3-31.2176.6-177.6178.1-69.800112.9F458 C459 Q460 F476 F480 F483 L514 V517 M518F458-M462 VanDerWaalsContact O-CB 3.3Å; F458-M462 WeakPolarHBondContact O-CB 3.31Å; F458-M462 PolarHBondContact O-N 3Å; C459-M462 PolarHBondContact O-N 3.44Å; Q460-M462 PolarHBondContact O-N 2.89Å; M462-F476 HydrophobicContact CE-CE2 4.4Å; M462-F480 HydrophobicContact CB-CZ 4.01Å; M462-F480 HydrophobicContact CE-CE1 4.46Å; M462-F480 HydrophobicContact CE-CE2 3.94Å; M462-F480 HydrophobicContact CE-CZ 3.76Å; M462-F480 HydrophobicContact CG-CE1 4.46Å; M462-F480 HydrophobicContact CG-CZ 3.93Å; M462-F483 HydrophobicContact CG-CB 3.49Å; M462-F483 VanDerWaalsContact CG-CB 3.49Å; M462-F483 HydrophobicContact SD-CB 3.91Å; M462-L514 HydrophobicContact CB-CD1 4.09Å; M462-L514 HydrophobicContact CG-CD1 3.88Å; M462-L514 HydrophobicContact SD-CD1 3.95Å; M462-V517 HydrophobicContact CE-CG1 4.36Å; M462-V517 HydrophobicContact SD-CG1 3.84Å; M462-M518 HydrophobicContact CB-SD 4.39Å; M462-M518 HydrophobicContact CE-CG 4.41Å; M462-M518 HydrophobicContact CE-SD 3.32Å; M462-M518 WeakPolarHBondContact CE-SD 3.26Å; M462-M518 HydrophobicContact SD-CG 4.05Å; M462-M518 HydrophobicContact SD-SD 3.69Å; M462-M518 VanDerWaalsContact SD-SD 3.69Å
463A85.9Confident79.3Confident1 Ų132.2 Ų32.21%0.00818%0.176CC..Hα-helixtrans-71.9-33.4179.900000113.5I97 R101 C459 Q460 Q461 I509 L514I97-A463 HydrophobicContact CG2-CB 4.02Å; R101-A463 WeakPolarHBondContact CD-O 3.47Å; R101-A463 PolarHBondContact NH1-O 3.41Å; C459-A463 WeakPolarHBondContact O-CB 3.32Å; C459-A463 PolarHBondContact O-N 3.33Å; Q460-A463 WeakPolarHBondContact O-CB 3.15Å; Q460-A463 PolarHBondContact O-N 3.2Å; Q461-A463 VanDerWaalsContact C-N 3.33Å; A463-I509 HydrophobicContact CB-CD1 3.74Å; A463-I509 HydrophobicContact CB-CG1 4.33Å; A463-I509 HydrophobicContact CB-CG2 4.41Å; A463-L514 HydrophobicContact CB-CD1 4.47Å; A463-L514 HydrophobicContact CB-CD2 3.79Å
464V85.7Confident78Confident12 Ų1234 Ų347%0.07318%0.177CC..Hα-helixtrans-98.1-23.7-173.1-570000114.4I97 Q100 R101 R104 Q460I97-V464 HydrophobicContact CG2-CG1 3.74Å; Q100-V464 HydrophobicContact CB-CG1 4.12Å; R101-V464 HydrophobicContact CB-CB 4.38Å; R101-V464 HydrophobicContact CB-CG1 4.28Å; R104-V464 VanDerWaalsContact CB-O 3.3Å; R104-V464 WeakPolarHBondContact CB-O 3.38Å; R104-V464 HydrophobicContact CG-CB 4.4Å; Q460-V464 HydrophobicContact CG-CG1 4.32Å; Q460-V464 WeakPolarHBondContact O-CG2 3.41Å; Q460-V464 PolarHBondContact O-N 3.45Å; Q460-V464 VanDerWaalsContact O-N 3.1Å
465L78.8Confident76.4Confident25 Ų2533.5 Ų33.513%0.13117%0.173CC..  trans-78.8127.1-177.8-73.9178.1000111.4Q461Q461-L465 HydrophobicContact CG-CD1 3.69Å; Q461-L465 HydrophobicContact CG-CG 4.32Å; Q461-L465 WeakPolarHBondContact O-CB 3.34Å; Q461-L465 VanDerWaalsContact O-CG 3.3Å; Q461-L465 WeakPolarHBondContact O-CG 3.49Å; Q461-L465 PolarHBondContact O-N 2.74Å
466P79Confident74.8Confident7 Ų732.6 Ų32.65%0.04517%0.168CC..  trans-71156.3170.726.8-30.6000111.4F105 A108 A468 S469F105-P466 HydrophobicContact CD1-CB 3.88Å; F105-P466 HydrophobicContact CD2-CB 3.85Å; F105-P466 HydrophobicContact CD2-CG 4.26Å; F105-P466 HydrophobicContact CE1-CB 3.79Å; F105-P466 HydrophobicContact CE2-CB 3.76Å; F105-P466 HydrophobicContact CE2-CG 4.47Å; F105-P466 HydrophobicContact CG-CB 3.93Å; F105-P466 HydrophobicContact CG-CG 4.47Å; F105-P466 HydrophobicContact CZ-CB 3.74Å; A108-P466 HydrophobicContact CB-CB 4.27Å; A108-P466 HydrophobicContact CB-CG 3.41Å; A108-P466 VanDerWaalsContact CB-CG 3.41Å; P466-A468 PolarHBondContact O-N 3.01Å; P466-A468 VanDerWaalsContact O-N 3.15Å; P466-S469 PolarHBondContact O-N 2.97Å
467P75.6Confident73.3Confident28 Ų2832 Ų3218%0.18218%0.176CC..G310 helixtrans-52.8-36.6177.7-27.234.3000114.1S469 R470P467-S469 VanDerWaalsContact C-N 3.29Å; P467-S469 PolarHBondContact O-N 2.81Å; P467-R470 WeakPolarHBondContact O-CB 3.35Å; P467-R470 PolarHBondContact O-N 3.42Å
468A69.8Low71.7Confident40 Ų4037.9 Ų37.933%0.33121%0.205SC..G310 helixtrans-60.9-34.9177.400000113.3E112 P466 R470 H471E112-A468 WeakPolarHBondContact OE1-CB 3.42Å; P466-A468 PolarHBondContact O-N 3.01Å; P466-A468 VanDerWaalsContact O-N 3.15Å; A468-R470 VanDerWaalsContact C-N 3.28Å; A468-R470 PolarHBondContact O-N 2.92Å; A468-H471 PolarHBondContact O-CE1 3.35Å; A468-H471 PolarHBondContact O-ND1 3.44Å
469S74Confident70.4Confident19 Ų1944.6 Ų44.613%0.13323%0.23CC..G310 helixtrans-88.815.5-179-58.50000113.4P466 P467 H471 L472P466-S469 PolarHBondContact O-N 2.97Å; P467-S469 VanDerWaalsContact C-N 3.29Å; P467-S469 PolarHBondContact O-N 2.81Å; S469-H471 PolarHBondContact O-N 2.97Å; S469-L472 WeakPolarHBondContact O-CB 3.32Å; S469-L472 PolarHBondContact O-N 2.94Å
470R65.9Low68.9Low107 Ų10744.7 Ų44.740%0.40423%0.23SC..G310 helixtrans-52.2-33.1-177.866.8176.8-70.5134.12.1114.4P467 A468 L472 S473 N478 F480P467-R470 WeakPolarHBondContact O-CB 3.35Å; P467-R470 PolarHBondContact O-N 3.42Å; A468-R470 VanDerWaalsContact C-N 3.28Å; A468-R470 PolarHBondContact O-N 2.92Å; R470-L472 PolarHBondContact O-N 2.93Å; R470-S473 WeakPolarHBondContact O-CB 3.49Å; R470-S473 PolarHBondContact O-N 3.26Å; R470-N478 PolarHBondContact NH2-O 3.04Å; R470-F480 PolarHBondContact NH1-O 2.97Å; R470-F480 PolarHBondContact NH2-O 3.05Å
471H65.5Low67.3Low122 Ų12248.7 Ų48.757%0.56525%0.251SS*.G310 helixtrans-69.8-15-176.260.5-86.3000112.5A468 S469 S473A468-H471 PolarHBondContact O-CE1 3.35Å; A468-H471 PolarHBondContact O-ND1 3.44Å; S469-H471 PolarHBondContact O-N 2.97Å; H471-S473 VanDerWaalsContact C-N 3.32Å
472L64.6Low66.2Low65 Ų6547.7 Ų47.734%0.3425%0.249SC..G310 helixtrans-82.6-6.6175.1-56.6-179.7000113.1S469 R470 H474S469-L472 WeakPolarHBondContact O-CB 3.32Å; S469-L472 PolarHBondContact O-N 2.94Å; R470-L472 PolarHBondContact O-N 2.93Å; L472-H474 PolarHBondContact O-N 2.86Å
473S61.3Low65.5Low8 Ų848 Ų486%0.05625%0.251CS..  trans-77.6111.2-180-175.30000111.8R470 H471 T475 F480R470-S473 WeakPolarHBondContact O-CB 3.49Å; R470-S473 PolarHBondContact O-N 3.26Å; H471-S473 VanDerWaalsContact C-N 3.32Å; S473-T475 PolarHBondContact O-N 3.32Å; S473-F480 WeakPolarHBondContact OG-CD2 3.39Å; S473-F480 WeakPolarHBondContact OG-CE2 3.49Å
474H59.1Low64.7Low81 Ų8152.1 Ų52.138%0.37528%0.277SS..THydrogen-bonded Turntrans-75.7-3.2175.9-69.1-72.4000114.8L472L472-H474 PolarHBondContact O-N 2.86Å
475T54.3Low64.1Low0 Ų052.6 Ų52.60%028%0.284CS..THydrogen-bonded Turntrans-98.4-17.9-160.6-56.60000113.6F458 Q461 S473 L525 E529F458-T475 HydrophobicContact CB-CG2 4.06Å; F458-T475 HydrophobicContact CD1-CG2 3.69Å; F458-T475 WeakPolarHBondContact CD1-OG1 3.28Å; F458-T475 HydrophobicContact CD2-CG2 3.08Å; F458-T475 HydrophobicContact CE1-CG2 3.77Å; F458-T475 WeakPolarHBondContact CE1-OG1 3.16Å; F458-T475 HydrophobicContact CE2-CG2 3.17Å; F458-T475 HydrophobicContact CG-CG2 3.35Å; F458-T475 HydrophobicContact CZ-CG2 3.52Å; Q461-T475 PolarHBondContact OE1-OG1 3.44Å; S473-T475 PolarHBondContact O-N 3.32Å; T475-L525 HydrophobicContact CG2-CD2 4.03Å; T475-E529 VanDerWaalsContact C-OE1 3.22Å
476F55.2Low64.1Low3 Ų353 Ų531%0.01329%0.288CS..THydrogen-bonded Turntrans-142.92-175.1-63.3-83.3000112.8M462 N478 R479 F480 M518 R521 L525M462-F476 HydrophobicContact CE-CE2 4.4Å; F476-N478 PolarHBondContact O-N 3.42Å; F476-R479 HydrophobicContact CB-CB 4.29Å; F476-R479 WeakPolarHBondContact O-CA 3.31Å; F476-R479 WeakPolarHBondContact O-CB 3.35Å; F476-R479 VanDerWaalsContact O-CG 3.32Å; F476-R479 WeakPolarHBondContact O-CG 3.5Å; F476-R479 PolarHBondContact O-N 3.03Å; F476-F480 HydrophobicContact CB-CB 4.27Å; F476-F480 HydrophobicContact CB-CD2 3.98Å; F476-F480 AromaticContact CD2-CD2 3.34Å; F476-F480 HydrophobicContact CD2-CD2 3.34Å; F476-F480 AromaticContact CD2-CE2 3.56Å; F476-F480 HydrophobicContact CD2-CE2 3.56Å; F476-F480 HydrophobicContact CE2-CD2 4.14Å; F476-F480 AromaticContact CE2-CE2 3.95Å; F476-F480 HydrophobicContact CE2-CE2 3.95Å; F476-F480 AromaticContact CG-CD2 4Å; F476-F480 HydrophobicContact CG-CD2 4Å; F476-M518 HydrophobicContact CZ-CE 4.4Å; F476-R521 HydrophobicContact CE1-CB 3.99Å; F476-R521 HydrophobicContact CZ-CB 4.27Å; F476-L525 HydrophobicContact CD1-CD2 4.09Å; F476-L525 HydrophobicContact CE1-CD2 3.38Å; F476-L525 HydrophobicContact CE1-CG 4.38Å; F476-L525 HydrophobicContact CE2-CD2 4.41Å; F476-L525 HydrophobicContact CZ-CD2 3.61Å
477G54.8Low64.1Low44 Ų4460.1 Ų60.145%0.45432%0.321SS..G310 helixtrans48.5-137.6-166.400000111.3R479G477-R479 PolarHBondContact O-N 3.42Å; G477-R479 VanDerWaalsContact O-N 3.12Å
478N54.2Low64.3Low153 Ų15365.6 Ų65.682%0.81835%0.349SS*.G310 helixtrans-67.8-5.8174.9-72.5-12.2000114.5R470 F476 F480R470-N478 PolarHBondContact NH2-O 3.04Å; F476-N478 PolarHBondContact O-N 3.42Å; N478-F480 PolarHBondContact O-N 3.5Å
479R56.8Low65.1Low150 Ų15064.9 Ų64.957%0.56634%0.338SS*.G310 helixtrans-79.3-1.6-178.8-47.4177.7-133.7158.25.9113.8F476 G477 I481 R521F476-R479 HydrophobicContact CB-CB 4.29Å; F476-R479 WeakPolarHBondContact O-CA 3.31Å; F476-R479 WeakPolarHBondContact O-CB 3.35Å; F476-R479 VanDerWaalsContact O-CG 3.32Å; F476-R479 WeakPolarHBondContact O-CG 3.5Å; F476-R479 PolarHBondContact O-N 3.03Å; G477-R479 PolarHBondContact O-N 3.42Å; G477-R479 VanDerWaalsContact O-N 3.12Å; R479-I481 PolarHBondContact O-N 3.45Å; R479-I481 VanDerWaalsContact O-N 3.15Å; R479-R521 PolarHBondContact O-NH1 3.45Å; R479-R521 VanDerWaalsContact O-NH1 3.15Å
480F54.8Low65.7Low5 Ų570.2 Ų70.22%0.02236%0.361CS..  trans-60.8114.4177.7-151.6-99.4000110.2M462 R470 S473 F476 N478 C482M462-F480 HydrophobicContact CB-CZ 4.01Å; M462-F480 HydrophobicContact CE-CE1 4.46Å; M462-F480 HydrophobicContact CE-CE2 3.94Å; M462-F480 HydrophobicContact CE-CZ 3.76Å; M462-F480 HydrophobicContact CG-CE1 4.46Å; M462-F480 HydrophobicContact CG-CZ 3.93Å; R470-F480 PolarHBondContact NH1-O 2.97Å; R470-F480 PolarHBondContact NH2-O 3.05Å; S473-F480 WeakPolarHBondContact OG-CD2 3.39Å; S473-F480 WeakPolarHBondContact OG-CE2 3.49Å; F476-F480 HydrophobicContact CB-CB 4.27Å; F476-F480 HydrophobicContact CB-CD2 3.98Å; F476-F480 AromaticContact CD2-CD2 3.34Å; F476-F480 HydrophobicContact CD2-CD2 3.34Å; F476-F480 AromaticContact CD2-CE2 3.56Å; F476-F480 HydrophobicContact CD2-CE2 3.56Å; F476-F480 HydrophobicContact CE2-CD2 4.14Å; F476-F480 AromaticContact CE2-CE2 3.95Å; F476-F480 HydrophobicContact CE2-CE2 3.95Å; F476-F480 AromaticContact CG-CD2 4Å; F476-F480 HydrophobicContact CG-CD2 4Å; N478-F480 PolarHBondContact O-N 3.5Å; F480-C482 HydrophobicContact CD1-CB 4.4Å; F480-C482 HydrophobicContact CE1-CB 4.41Å
481I54.7Low66.7Low104 Ų10468.4 Ų68.453%0.53336%0.362SS..PPolyproline II helixtrans-92.6119155.3-59.7-166.5000104.3R479 R521R479-I481 PolarHBondContact O-N 3.45Å; R479-I481 VanDerWaalsContact O-N 3.15Å; I481-R521 VanDerWaalsContact CB-NH2 3.3Å
482C59.2Low67.6Low25 Ų2564.1 Ų64.117%0.16934%0.343CS..PPolyproline II helixtrans-59.3144.1-179.7-162.60000109.4F480F480-C482 HydrophobicContact CD1-CB 4.4Å; F480-C482 HydrophobicContact CE1-CB 4.41Å
483F67.1Low68.3Low10 Ų1062.7 Ų62.74%0.04434%0.335CS..PPolyproline II helixtrans-54.1133.4159.4176.8-100.7000107.8M462 G485 I509 D510 L513 L514M462-F483 HydrophobicContact CG-CB 3.49Å; M462-F483 VanDerWaalsContact CG-CB 3.49Å; M462-F483 HydrophobicContact SD-CB 3.91Å; F483-G485 PolarHBondContact O-N 3.05Å; F483-I509 HydrophobicContact CE1-CG2 4.43Å; F483-I509 HydrophobicContact CZ-CG2 4.33Å; F483-D510 HydrophobicContact CZ-CB 4.4Å; F483-L513 HydrophobicContact CE2-CB 4Å; F483-L513 HydrophobicContact CE2-CD2 3.88Å; F483-L513 HydrophobicContact CE2-CG 3.74Å; F483-L513 HydrophobicContact CZ-CB 4.49Å; F483-L513 HydrophobicContact CZ-CD2 4.14Å; F483-L513 HydrophobicContact CZ-CG 4.4Å; F483-L514 HydrophobicContact CB-CD1 4.34Å; F483-L514 HydrophobicContact CD2-CB 4.05Å; F483-L514 HydrophobicContact CD2-CD1 3.72Å; F483-L514 VanDerWaalsContact CE2-CA 3.48Å; F483-L514 HydrophobicContact CE2-CB 3.7Å; F483-L514 HydrophobicContact CE2-CD1 4.22Å; F483-L514 HydrophobicContact CG-CD1 4.08Å; F483-L514 HydrophobicContact CZ-CB 4.36Å
484P68.6Low69.2Low87 Ų8763.3 Ų63.357%0.56534%0.338SS*.PPolyproline II helixtrans-52.4117.7178.2-25.234.2000109.5L513P484-L513 HydrophobicContact CG-CD2 4.32Å
485G72.7Confident69.7Low22 Ų2262 Ų6223%0.22735%0.346CS..  trans-138152.6-178.600000109.2F483F483-G485 PolarHBondContact O-N 3.05Å
486P79.5Confident70.6Confident33 Ų3363.9 Ų63.921%0.21435%0.354CS..  trans-66.6143.3179.532.3-37.9000110.3F105 D488 L506 P507F105-P486 HydrophobicContact CE1-CG 4.28Å; P486-D488 WeakPolarHBondContact CB-O 3.47Å; P486-L506 HydrophobicContact CG-CD2 3.48Å; P486-L506 VanDerWaalsContact CG-CD2 3.48Å; P486-P507 HydrophobicContact CG-CG 4.47Å
487H77.8Confident71.1Confident157 Ų15770.5 Ų70.573%0.72738%0.38SS*.SBendtrans-77.7-34.8172-73.6-79.9000111.5
488D80.8Confident71.8Confident143 Ų14370.8 Ų70.877%0.76537%0.371SS*.  trans-124.3152.7178.6-69-53.7000110.8P486P486-D488 WeakPolarHBondContact CB-O 3.47Å
489F86.5Confident72.4Confident25 Ų2569.5 Ų69.511%0.1136%0.364CS..  trans-147.7149.1177.657.5-91.5000111.1F105 M106 K109 T491 I504 L506F105-F489 HydrophobicContact CB-CE1 3.9Å; F105-F489 HydrophobicContact CB-CZ 4.16Å; F105-F489 HydrophobicContact CD1-CD1 4.06Å; F105-F489 HydrophobicContact CD1-CE1 4.03Å; F105-F489 HydrophobicContact CG-CE1 4.49Å; M106-F489 HydrophobicContact SD-CE2 4.06Å; M106-F489 HydrophobicContact SD-CZ 4.25Å; K109-F489 HydrophobicContact CB-CE1 4.28Å; K109-F489 HydrophobicContact CB-CZ 3.94Å; K109-F489 HydrophobicContact CD-CE1 4.04Å; K109-F489 HydrophobicContact CD-CE2 3.96Å; K109-F489 HydrophobicContact CD-CZ 3.5Å; K109-F489 HydrophobicContact CG-CZ 4.35Å; F489-T491 HydrophobicContact CD2-CG2 4.12Å; F489-T491 HydrophobicContact CE2-CG2 3.95Å; F489-I504 HydrophobicContact CD2-CG2 3.65Å; F489-I504 HydrophobicContact CE2-CG1 4.45Å; F489-I504 HydrophobicContact CE2-CG2 3.8Å; F489-I504 HydrophobicContact CG-CG2 4.39Å; F489-L506 HydrophobicContact CB-CD2 3.68Å; F489-L506 HydrophobicContact CB-CG 4.23Å; F489-L506 HydrophobicContact CD1-CD2 4Å; F489-L506 HydrophobicContact CG-CD2 3.93Å; F489-L506 HydrophobicContact CG-CG 4.35Å
490E87.1Confident72.9Confident130 Ų13071.7 Ų71.761%0.60737%0.372SS*.EExtended strand (participates in β ladder)trans-80.6150175.7-67.3178.8-171.400111.4K505E490-K505 HydrophobicContact CB-CB 4.19Å; E490-K505 HydrophobicContact CB-CD 4.11Å; E490-K505 PolarHBondContact O-N 2.86Å; E490-K505 IonicContact OE2-NZ 3.04Å
491T86.2Confident73.7Confident69 Ų6974.2 Ų74.242%0.42338%0.384SS..EExtended strand (participates in β ladder)trans-126.4133.3174.352.10000109M106 F489 V503 I504M106-T491 HydrophobicContact SD-CG2 4.39Å; F489-T491 HydrophobicContact CD2-CG2 4.12Å; F489-T491 HydrophobicContact CE2-CG2 3.95Å; T491-V503 CarbonylContact C-O 3.52Å; T491-V503 WeakPolarHBondContact CA-O 3.23Å; T491-I504 HydrophobicContact CG2-CG1 4.32Å
492D84.4Confident74.9Confident32 Ų3270 Ų7017%0.17137%0.365CS..EExtended strand (participates in β ladder)trans-120120.9176.8172.115.8000109.7Y432 N494 A502 V503Y432-D492 VanDerWaalsContact CE1-OD2 3.23Å; Y432-D492 WeakPolarHBondContact CE1-OD2 3.11Å; Y432-D492 VanDerWaalsContact CZ-OD2 3.27Å; Y432-D492 WeakPolarHBondContact OH-CB 3.36Å; Y432-D492 PolarHBondContact OH-OD2 3.32Å; D492-N494 PolarHBondContact O-N 2.91Å; D492-N494 WeakPolarHBondContact OD1-CA 3.47Å; D492-N494 PolarHBondContact OD1-N 2.83Å; D492-A502 CarbonylContact O-C 3.47Å; D492-A502 WeakPolarHBondContact O-CA 3.14Å; D492-V503 HydrophobicContact CB-CB 4.47Å; D492-V503 PolarHBondContact N-O 3.03Å; D492-V503 PolarHBondContact O-N 3.27Å
493L79Confident76.2Confident35 Ų3570 Ų7018%0.18336%0.364CS..  trans-61.3-28176.9-74.9173.6000112.1G495 K496 A502L493-G495 VanDerWaalsContact C-N 3.25Å; L493-G495 PolarHBondContact O-N 3.27Å; L493-G495 VanDerWaalsContact O-N 3.14Å; L493-K496 WeakPolarHBondContact O-CB 3.36Å; L493-K496 WeakPolarHBondContact O-CG 3.04Å; L493-K496 PolarHBondContact O-N 2.88Å; L493-A502 HydrophobicContact CD2-CB 4.21Å
494N80.3Confident77.1Confident21 Ų2170.9 Ų70.911%0.11237%0.369CS..THydrogen-bonded Turntrans44.847.2176.1-165.532.8000113.4H258 H263 K400 Y432 D492 K496 V503H258-N494 PolarHBondContact CE1-ND2 3.12Å; H263-N494 PolarHBondContact NE2-O 3.42Å; K400-N494 PolarHBondContact NZ-OD1 3.01Å; Y432-N494 HydrophobicContact CE1-CB 4.2Å; D492-N494 PolarHBondContact O-N 2.91Å; D492-N494 WeakPolarHBondContact OD1-CA 3.47Å; D492-N494 PolarHBondContact OD1-N 2.83Å; N494-K496 VanDerWaalsContact C-N 3.32Å; N494-K496 PolarHBondContact O-N 3.05Å; N494-V503 HydrophobicContact CB-CG2 3.85Å
495G69.7Low77.9Confident53 Ų5369.7 Ų69.755%0.54636%0.355SS..THydrogen-bonded Turntrans79.82.4-179.400000115.8L493L493-G495 VanDerWaalsContact C-N 3.25Å; L493-G495 PolarHBondContact O-N 3.27Å; L493-G495 VanDerWaalsContact O-N 3.14Å
496K73.2Confident78.7Confident40 Ų4069.1 Ų69.117%0.17435%0.346CS..  trans-81.3160.5173.6-51.6-66173.9-174.40111.3H258 H263 L493 N494 E501H258-K496 PolarHBondContact CD2-NZ 2.81Å; H258-K496 WeakPolarHBondContact NE2-CE 3.34Å; H258-K496 PolarHBondContact NE2-NZ 3.11Å; H263-K496 VanDerWaalsContact CG-NZ 3.26Å; L493-K496 WeakPolarHBondContact O-CB 3.36Å; L493-K496 WeakPolarHBondContact O-CG 3.04Å; L493-K496 PolarHBondContact O-N 2.88Å; N494-K496 VanDerWaalsContact C-N 3.32Å; N494-K496 PolarHBondContact O-N 3.05Å; K496-E501 HydrophobicContact CB-CB 3.68Å; K496-E501 HydrophobicContact CD-CB 4.26Å; K496-E501 HydrophobicContact CG-CB 3.81Å
497R66.2Low79.1Confident143 Ų14371.3 Ų71.354%0.5436%0.361SS..SBendtrans-91.9-23.5-176.6-64.2-174.3-174.7-168.8-1.3113.7S352S352-R497 PolarHBondContact OG-NH2 2.95Å
498N69.3Low79.7Confident50 Ų5066.9 Ų66.927%0.26734%0.339SS..SBendtrans-125.5140.9-169.3-51.1-71.7000111W500 E501N498-W500 HydrophobicContact CB-CD2 3.54Å; N498-W500 HydrophobicContact CB-CE3 3.72Å; N498-W500 HydrophobicContact CB-CG 4.29Å; N498-W500 HydrophobicContact CB-CH2 3.5Å; N498-W500 VanDerWaalsContact CB-CH2 3.5Å; N498-W500 HydrophobicContact CB-CZ2 3.31Å; N498-W500 HydrophobicContact CB-CZ3 3.69Å; N498-W500 WeakPolarHBondContact ND2-CZ2 3.31Å; N498-W500 PolarHBondContact O-N 3.14Å; N498-W500 VanDerWaalsContact O-N 3.16Å; N498-W500 WeakPolarHBondContact OD1-CH2 3.38Å; N498-W500 WeakPolarHBondContact OD1-CZ2 3.06Å; N498-E501 HydrophobicContact CB-CG 4.38Å; N498-E501 PolarHBondContact ND2-OE2 2.7Å; N498-E501 WeakPolarHBondContact O-CA 3.44Å; N498-E501 WeakPolarHBondContact O-CB 3.2Å; N498-E501 PolarHBondContact O-N 3.32Å
499D67.2Low80.1Confident125 Ų12560.2 Ų60.267%0.66830%0.304SS*.G310 helixtrans-58.2-31.1-178.4-61.5-22000113.5E501 A502D499-E501 PolarHBondContact O-N 2.99Å; D499-A502 WeakPolarHBondContact O-CB 3.29Å; D499-A502 PolarHBondContact O-N 3.4Å; D499-A502 VanDerWaalsContact O-N 3.16Å
500W66.3Low80.2Confident196 Ų19662.8 Ų62.874%0.74232%0.318SS*.G310 helixtrans-73.5-11.6176.865.278.9000113.7N498N498-W500 HydrophobicContact CB-CD2 3.54Å; N498-W500 HydrophobicContact CB-CE3 3.72Å; N498-W500 HydrophobicContact CB-CG 4.29Å; N498-W500 HydrophobicContact CB-CH2 3.5Å; N498-W500 VanDerWaalsContact CB-CH2 3.5Å; N498-W500 HydrophobicContact CB-CZ2 3.31Å; N498-W500 HydrophobicContact CB-CZ3 3.69Å; N498-W500 WeakPolarHBondContact ND2-CZ2 3.31Å; N498-W500 PolarHBondContact O-N 3.14Å; N498-W500 VanDerWaalsContact O-N 3.16Å; N498-W500 WeakPolarHBondContact OD1-CH2 3.38Å; N498-W500 WeakPolarHBondContact OD1-CZ2 3.06Å
501E71.2Confident80.3Confident58 Ų5857.5 Ų57.527%0.27130%0.295SS..G310 helixtrans-94.1-3.2172.4-62.5178.8129.300111.9K5 K496 N498 D499K5-E501 IonicContact NZ-OE1 2.74Å; K496-E501 HydrophobicContact CB-CB 3.68Å; K496-E501 HydrophobicContact CD-CB 4.26Å; K496-E501 HydrophobicContact CG-CB 3.81Å; N498-E501 HydrophobicContact CB-CG 4.38Å; N498-E501 PolarHBondContact ND2-OE2 2.7Å; N498-E501 WeakPolarHBondContact O-CA 3.44Å; N498-E501 WeakPolarHBondContact O-CB 3.2Å; N498-E501 PolarHBondContact O-N 3.32Å; D499-E501 PolarHBondContact O-N 2.99Å
502A81.3Confident80.4Confident16 Ų1662.1 Ų62.113%0.13231%0.311CS..SBendtrans-63.4144.9-177.800000112.6D492 L493 D499 I504D492-A502 CarbonylContact O-C 3.47Å; D492-A502 WeakPolarHBondContact O-CA 3.14Å; L493-A502 HydrophobicContact CD2-CB 4.21Å; D499-A502 WeakPolarHBondContact O-CB 3.29Å; D499-A502 PolarHBondContact O-N 3.4Å; D499-A502 VanDerWaalsContact O-N 3.16Å; A502-I504 PolarHBondContact O-N 3.09Å
503V85Confident80.7Confident26 Ų2663.8 Ų63.816%0.15832%0.32CS..EExtended strand (participates in β ladder)trans-70.8120.1169.7-179.10000108.6H431 Y432 T491 D492 N494H431-V503 HydrophobicContact CB-CG1 3.93Å; Y432-V503 HydrophobicContact CE1-CB 4.47Å; Y432-V503 HydrophobicContact CE1-CG1 4.3Å; Y432-V503 HydrophobicContact CE1-CG2 4.29Å; T491-V503 CarbonylContact C-O 3.52Å; T491-V503 WeakPolarHBondContact CA-O 3.23Å; D492-V503 HydrophobicContact CB-CB 4.47Å; D492-V503 PolarHBondContact N-O 3.03Å; D492-V503 PolarHBondContact O-N 3.27Å; N494-V503 HydrophobicContact CB-CG2 3.85Å
504I86Confident81.2Confident27 Ų2762.1 Ų62.114%0.13831%0.311CS..EExtended strand (participates in β ladder)trans-91.5110.6178.7-66.5161.8000108.7A102 M106 F489 T491 A502 L506A102-I504 HydrophobicContact CB-CB 4.15Å; A102-I504 HydrophobicContact CB-CD1 3.96Å; A102-I504 HydrophobicContact CB-CG2 4.28Å; A102-I504 WeakPolarHBondContact O-CD1 3.44Å; M106-I504 HydrophobicContact CB-CD1 3.69Å; M106-I504 HydrophobicContact CG-CD1 4.06Å; M106-I504 HydrophobicContact SD-CD1 4.13Å; M106-I504 HydrophobicContact SD-CG1 4.38Å; F489-I504 HydrophobicContact CD2-CG2 3.65Å; F489-I504 HydrophobicContact CE2-CG1 4.45Å; F489-I504 HydrophobicContact CE2-CG2 3.8Å; F489-I504 HydrophobicContact CG-CG2 4.39Å; T491-I504 HydrophobicContact CG2-CG1 4.32Å; A502-I504 PolarHBondContact O-N 3.09Å; I504-L506 VanDerWaalsContact C-N 3.27Å; I504-L506 HydrophobicContact CG2-CB 4.48Å; I504-L506 HydrophobicContact CG2-CD1 3.69Å; I504-L506 HydrophobicContact CG2-CG 3.67Å; I504-L506 PolarHBondContact O-N 2.83Å
505K87.2Confident81.6Confident62 Ų6264.7 Ų64.727%0.2733%0.325SS..EExtended strand (participates in β ladder)trans-82.767.6-178.2-64.1-175.5-179.4178.40111.5Y432 E490Y432-K505 WeakPolarHBondContact OH-CE 3.42Å; E490-K505 HydrophobicContact CB-CB 4.19Å; E490-K505 HydrophobicContact CB-CD 4.11Å; E490-K505 PolarHBondContact O-N 2.86Å; E490-K505 IonicContact OE2-NZ 3.04Å
506L88.5Confident82.5Confident10 Ų1065.3 Ų65.35%0.05232%0.321CS..PPolyproline II helixtrans-86.4141.1170.9-76.8166000110.8R101 F105 H431 P486 F489 I504 F508R101-L506 HydrophobicContact CG-CD1 4.24Å; F105-L506 HydrophobicContact CB-CD1 3.76Å; F105-L506 HydrophobicContact CD1-CD1 4Å; F105-L506 HydrophobicContact CD1-CD2 3.69Å; F105-L506 HydrophobicContact CD2-CD1 4.07Å; F105-L506 HydrophobicContact CE1-CD2 3.94Å; F105-L506 HydrophobicContact CG-CD1 3.67Å; F105-L506 HydrophobicContact CG-CD2 4.24Å; H431-L506 PolarHBondContact CE1-O 3.34Å; H431-L506 PolarHBondContact NE2-O 3.35Å; P486-L506 HydrophobicContact CG-CD2 3.48Å; P486-L506 VanDerWaalsContact CG-CD2 3.48Å; F489-L506 HydrophobicContact CB-CD2 3.68Å; F489-L506 HydrophobicContact CB-CG 4.23Å; F489-L506 HydrophobicContact CD1-CD2 4Å; F489-L506 HydrophobicContact CG-CD2 3.93Å; F489-L506 HydrophobicContact CG-CG 4.35Å; I504-L506 VanDerWaalsContact C-N 3.27Å; I504-L506 HydrophobicContact CG2-CB 4.48Å; I504-L506 HydrophobicContact CG2-CD1 3.69Å; I504-L506 HydrophobicContact CG2-CG 3.67Å; I504-L506 PolarHBondContact O-N 2.83Å; L506-F508 PolarHBondContact O-N 3.31Å
507P89Confident83.2Confident79 Ų7964.7 Ų64.751%0.51332%0.32SS..PPolyproline II helixtrans-54.8132.5163.9-21.632.6000110.1R101 P486R101-P507 PolarHBondContact NH2-O 3.01Å; P486-P507 HydrophobicContact CG-CG 4.47Å
508F89.7Confident84.1Confident64 Ų6458.5 Ų58.528%0.28130%0.298SS..PPolyproline II helixtrans-63149.7175.7-61.3-69.3000110.8F427 P429 H431 L506 D510F427-F508 HydrophobicContact CD2-CD1 4.09Å; F427-F508 HydrophobicContact CD2-CE1 4.5Å; F427-F508 HydrophobicContact CD2-CG 4.44Å; F427-F508 HydrophobicContact CE2-CB 3.74Å; F427-F508 AromaticContact CE2-CD1 3.64Å; F427-F508 HydrophobicContact CE2-CD1 3.64Å; F427-F508 HydrophobicContact CE2-CD2 4.09Å; F427-F508 HydrophobicContact CE2-CE1 4.25Å; F427-F508 AromaticContact CE2-CG 3.55Å; F427-F508 HydrophobicContact CE2-CG 3.55Å; F427-F508 HydrophobicContact CZ-CB 4.11Å; F427-F508 HydrophobicContact CZ-CG 4.32Å; P429-F508 WeakPolarHBondContact O-CE2 3.32Å; H431-F508 AromaticContact CD2-CZ 3.95Å; H431-F508 AromaticContact CE1-CE2 3.65Å; H431-F508 AromaticContact CE1-CZ 3.64Å; H431-F508 AromaticContact ND1-CZ 3.92Å; H431-F508 AromaticContact NE2-CZ 3.65Å; L506-F508 PolarHBondContact O-N 3.31Å; F508-D510 PolarHBondContact O-N 2.87Å
509I88.5Confident84.9Confident3 Ų359 Ų592%0.01531%0.308CS..PPolyproline II helixtrans-67.2125.8-177.9-64.8148.6000110.2R94 I97 R101 A463 F483 L511 L514R94-I509 PolarHBondContact NH2-O 3.49Å; I97-I509 HydrophobicContact CG2-CD1 3.45Å; I97-I509 VanDerWaalsContact CG2-CD1 3.45Å; R101-I509 VanDerWaalsContact NH1-CG1 3.3Å; A463-I509 HydrophobicContact CB-CD1 3.74Å; A463-I509 HydrophobicContact CB-CG1 4.33Å; A463-I509 HydrophobicContact CB-CG2 4.41Å; F483-I509 HydrophobicContact CE1-CG2 4.43Å; F483-I509 HydrophobicContact CZ-CG2 4.33Å; I509-L511 HydrophobicContact CG2-CD2 4.1Å; I509-L511 PolarHBondContact O-N 3.05Å; I509-L514 HydrophobicContact CG2-CB 4.43Å; I509-L514 HydrophobicContact CG2-CD2 4.07Å
510D89Confident85.9Confident79 Ų7957.3 Ų57.342%0.42231%0.307SS..  trans-75.3106.8163.2-177.2-18.9000109.4F483 F508 E512 L513 L514F483-D510 HydrophobicContact CZ-CB 4.4Å; F508-D510 PolarHBondContact O-N 2.87Å; D510-E512 PolarHBondContact OD1-N 2.91Å; D510-L513 HydrophobicContact CB-CB 3.92Å; D510-L513 VanDerWaalsContact CG-CB 3.47Å; D510-L513 PolarHBondContact OD1-N 2.94Å; D510-L514 VanDerWaalsContact O-CB 3.29Å; D510-L514 WeakPolarHBondContact O-CB 3.31Å; D510-L514 PolarHBondContact O-N 2.98Å
511L88.2Confident86.6Confident20 Ų2050.4 Ų50.411%0.10528%0.281CS..Hα-helixtrans-70.9-32.5-179.3-73.7-172.2000112.9R94 E425 L455 I509 L514 N515R94-L511 HydrophobicContact CG-CD1 4.33Å; E425-L511 HydrophobicContact CG-CD1 4.5Å; L455-L511 HydrophobicContact CD1-CD2 4Å; L455-L511 HydrophobicContact CD2-CD2 4.2Å; I509-L511 HydrophobicContact CG2-CD2 4.1Å; I509-L511 PolarHBondContact O-N 3.05Å; L511-L514 HydrophobicContact CD2-CD2 4.18Å; L511-L514 PolarHBondContact O-N 2.54Å; L511-N515 VanDerWaalsContact O-CB 3.31Å; L511-N515 WeakPolarHBondContact O-CB 3.35Å; L511-N515 VanDerWaalsContact O-CG 3.24Å; L511-N515 PolarHBondContact O-N 2.93Å; L511-N515 PolarHBondContact O-ND2 3.3Å
512E89.8Confident87.1Confident166 Ų16652.3 Ų52.378%0.77629%0.29SS*.Hα-helixtrans-68.8-46.1179.8-65.4-173.9177.700109.7D510 L514 N515 S516D510-E512 PolarHBondContact OD1-N 2.91Å; E512-L514 PolarHBondContact O-N 3.14Å; E512-N515 PolarHBondContact O-N 2.98Å; E512-S516 WeakPolarHBondContact O-CB 3.37Å; E512-S516 PolarHBondContact O-N 3.48Å; E512-S516 PolarHBondContact O-OG 3.17Å
513L90.3Very high87.4Confident67 Ų6759.1 Ų59.135%0.35132%0.324SS..Hα-helixtrans-60.4-45.9173-17761.6000110.9F483 P484 D510 N515 S516 V517F483-L513 HydrophobicContact CE2-CB 4Å; F483-L513 HydrophobicContact CE2-CD2 3.88Å; F483-L513 HydrophobicContact CE2-CG 3.74Å; F483-L513 HydrophobicContact CZ-CB 4.49Å; F483-L513 HydrophobicContact CZ-CD2 4.14Å; F483-L513 HydrophobicContact CZ-CG 4.4Å; P484-L513 HydrophobicContact CG-CD2 4.32Å; D510-L513 HydrophobicContact CB-CB 3.92Å; D510-L513 VanDerWaalsContact CG-CB 3.47Å; D510-L513 PolarHBondContact OD1-N 2.94Å; L513-N515 PolarHBondContact O-N 2.94Å; L513-S516 PolarHBondContact O-N 3.4Å; L513-S516 PolarHBondContact O-OG 3.43Å; L513-V517 HydrophobicContact CD1-CG2 4.23Å; L513-V517 HydrophobicContact CG-CG2 4.48Å; L513-V517 VanDerWaalsContact O-CG2 3.3Å; L513-V517 WeakPolarHBondContact O-CG2 3.11Å; L513-V517 PolarHBondContact O-N 3.47Å
514L89.4Confident87.3Confident0 Ų060.4 Ų60.40%033%0.334CS..Hα-helixtrans-59.8-47.4-178.8177.767000111.2L455 C459 M462 A463 F483 I509 D510 L511 E512 V517 M518L455-L514 HydrophobicContact CD1-CD2 3.93Å; C459-L514 HydrophobicContact CB-CD2 4.32Å; M462-L514 HydrophobicContact CB-CD1 4.09Å; M462-L514 HydrophobicContact CG-CD1 3.88Å; M462-L514 HydrophobicContact SD-CD1 3.95Å; A463-L514 HydrophobicContact CB-CD1 4.47Å; A463-L514 HydrophobicContact CB-CD2 3.79Å; F483-L514 HydrophobicContact CB-CD1 4.34Å; F483-L514 HydrophobicContact CD2-CB 4.05Å; F483-L514 HydrophobicContact CD2-CD1 3.72Å; F483-L514 VanDerWaalsContact CE2-CA 3.48Å; F483-L514 HydrophobicContact CE2-CB 3.7Å; F483-L514 HydrophobicContact CE2-CD1 4.22Å; F483-L514 HydrophobicContact CG-CD1 4.08Å; F483-L514 HydrophobicContact CZ-CB 4.36Å; I509-L514 HydrophobicContact CG2-CB 4.43Å; I509-L514 HydrophobicContact CG2-CD2 4.07Å; D510-L514 VanDerWaalsContact O-CB 3.29Å; D510-L514 WeakPolarHBondContact O-CB 3.31Å; D510-L514 PolarHBondContact O-N 2.98Å; L511-L514 HydrophobicContact CD2-CD2 4.18Å; L511-L514 PolarHBondContact O-N 2.54Å; E512-L514 PolarHBondContact O-N 3.14Å; L514-V517 PolarHBondContact O-N 3.01Å; L514-M518 WeakPolarHBondContact O-CB 3.27Å; L514-M518 WeakPolarHBondContact O-CG 3.32Å; L514-M518 PolarHBondContact O-N 3.16Å
515N88.8Confident87.3Confident74 Ų7459.7 Ų59.740%0.39633%0.33SS..Hα-helixtrans-65.7-40179.4-73.9-39.3000111.6L511 E512 L513 M518 A519L511-N515 VanDerWaalsContact O-CB 3.31Å; L511-N515 WeakPolarHBondContact O-CB 3.35Å; L511-N515 VanDerWaalsContact O-CG 3.24Å; L511-N515 PolarHBondContact O-N 2.93Å; L511-N515 PolarHBondContact O-ND2 3.3Å; E512-N515 PolarHBondContact O-N 2.98Å; L513-N515 PolarHBondContact O-N 2.94Å; N515-M518 PolarHBondContact O-N 3.27Å; N515-A519 VanDerWaalsContact O-CB 3.32Å; N515-A519 WeakPolarHBondContact O-CB 3.37Å; N515-A519 PolarHBondContact O-N 3.21Å
516S89.2Confident87.2Confident66 Ų6659.7 Ų59.746%0.46234%0.335SS..Hα-helixtrans-63.6-41.8177.174.60000112.4E512 L513 M518 A519 S520E512-S516 WeakPolarHBondContact O-CB 3.37Å; E512-S516 PolarHBondContact O-N 3.48Å; E512-S516 PolarHBondContact O-OG 3.17Å; L513-S516 PolarHBondContact O-N 3.4Å; L513-S516 PolarHBondContact O-OG 3.43Å; S516-M518 PolarHBondContact O-N 3.02Å; S516-A519 PolarHBondContact O-N 3.33Å; S516-S520 PolarHBondContact O-N 2.97Å
517V86.3Confident87.1Confident28 Ų2863.1 Ų63.117%0.1737%0.366CS..Hα-helixtrans-63.4-43.3176.3172.30000110.4M462 L513 L514 S520M462-V517 HydrophobicContact CE-CG1 4.36Å; M462-V517 HydrophobicContact SD-CG1 3.84Å; L513-V517 HydrophobicContact CD1-CG2 4.23Å; L513-V517 HydrophobicContact CG-CG2 4.48Å; L513-V517 VanDerWaalsContact O-CG2 3.3Å; L513-V517 WeakPolarHBondContact O-CG2 3.11Å; L513-V517 PolarHBondContact O-N 3.47Å; L514-V517 PolarHBondContact O-N 3.01Å; V517-S520 PolarHBondContact O-N 3.44Å; V517-S520 PolarHBondContact O-OG 2.8Å
518M85.8Confident86.7Confident12 Ų1263.7 Ų63.76%0.05936%0.361CS..Hα-helixtrans-67.1-43.6178.3-74.9-63.6-52.400112.7F458 C459 M462 F476 L514 N515 S516 S520 R521 E522F458-M518 HydrophobicContact CB-CE 3.55Å; C459-M518 HydrophobicContact CB-CG 4.24Å; C459-M518 VanDerWaalsContact SG-CG 3.52Å; M462-M518 HydrophobicContact CB-SD 4.39Å; M462-M518 HydrophobicContact CE-CG 4.41Å; M462-M518 HydrophobicContact CE-SD 3.32Å; M462-M518 WeakPolarHBondContact CE-SD 3.26Å; M462-M518 HydrophobicContact SD-CG 4.05Å; M462-M518 HydrophobicContact SD-SD 3.69Å; M462-M518 VanDerWaalsContact SD-SD 3.69Å; F476-M518 HydrophobicContact CZ-CE 4.4Å; L514-M518 WeakPolarHBondContact O-CB 3.27Å; L514-M518 WeakPolarHBondContact O-CG 3.32Å; L514-M518 PolarHBondContact O-N 3.16Å; N515-M518 PolarHBondContact O-N 3.27Å; S516-M518 PolarHBondContact O-N 3.02Å; M518-S520 VanDerWaalsContact C-N 3.3Å; M518-S520 PolarHBondContact O-N 3.37Å; M518-R521 PolarHBondContact O-N 2.97Å; M518-E522 PolarHBondContact O-N 2.87Å; M518-E522 VanDerWaalsContact O-N 3.14Å
519A86.9Confident86.4Confident60 Ų6061.6 Ų61.650%0.49635%0.352SS..Hα-helixtrans-60.2-39.5176.400000111.9N515 S516 R521 E522N515-A519 VanDerWaalsContact O-CB 3.32Å; N515-A519 WeakPolarHBondContact O-CB 3.37Å; N515-A519 PolarHBondContact O-N 3.21Å; S516-A519 PolarHBondContact O-N 3.33Å; A519-R521 PolarHBondContact O-N 3.48Å; A519-E522 PolarHBondContact O-N 2.58Å
520S86.7Confident86.3Confident91 Ų9164.8 Ų64.864%0.63637%0.367SS*.THydrogen-bonded Turntrans-62-15.9177.178.30000114.1S516 V517 M518S516-S520 PolarHBondContact O-N 2.97Å; V517-S520 PolarHBondContact O-N 3.44Å; V517-S520 PolarHBondContact O-OG 2.8Å; M518-S520 VanDerWaalsContact C-N 3.3Å; M518-S520 PolarHBondContact O-N 3.37Å
521R81.2Confident85.9Confident50 Ų5065.4 Ų65.419%0.18936%0.364CS..THydrogen-bonded Turntrans-116.6-8.4-173.8-66.2-178.5179.5-86-23.5114.2F476 R479 I481 M518 A519 N523 S524F476-R521 HydrophobicContact CE1-CB 3.99Å; F476-R521 HydrophobicContact CZ-CB 4.27Å; R479-R521 PolarHBondContact O-NH1 3.45Å; R479-R521 VanDerWaalsContact O-NH1 3.15Å; I481-R521 VanDerWaalsContact CB-NH2 3.3Å; M518-R521 PolarHBondContact O-N 2.97Å; A519-R521 PolarHBondContact O-N 3.48Å; R521-N523 PolarHBondContact O-N 3.13Å; R521-S524 WeakPolarHBondContact O-CA 3.33Å; R521-S524 WeakPolarHBondContact O-CB 3.18Å; R521-S524 PolarHBondContact O-N 2.69Å; R521-S524 PolarHBondContact O-OG 2.52Å
522E83.3Confident85.6Confident99 Ų9967.9 Ų67.946%0.46337%0.372SS..G310 helixtrans-56.4-38.2-173.7-170.1170.5-172.400112.4M518 A519 S524 L525M518-E522 PolarHBondContact O-N 2.87Å; M518-E522 VanDerWaalsContact O-N 3.14Å; A519-E522 PolarHBondContact O-N 2.58Å; E522-S524 PolarHBondContact O-N 3.11Å; E522-L525 WeakPolarHBondContact O-CB 3.29Å; E522-L525 WeakPolarHBondContact O-CG 3.3Å; E522-L525 PolarHBondContact O-N 3.01Å
523N85.7Confident85.4Confident159 Ų15960.3 Ų60.385%0.8534%0.337SS*.G310 helixtrans-68.6-14.7176.7-67.1-28.5000114.3R521R521-N523 PolarHBondContact O-N 3.13Å
524S84.7Confident85.1Confident53 Ų5362.8 Ų62.837%0.37134%0.344SS..G310 helixtrans-89.9-8.8179.974.10000113.7R521 E522R521-S524 WeakPolarHBondContact O-CA 3.33Å; R521-S524 WeakPolarHBondContact O-CB 3.18Å; R521-S524 PolarHBondContact O-N 2.69Å; R521-S524 PolarHBondContact O-OG 2.52Å; E522-S524 PolarHBondContact O-N 3.11Å
525L84.9Confident84.6Confident11 Ų1166 Ų666%0.05837%0.365CS..SBendtrans-71137178.9-63178.6000110.4F458 T475 F476 E522 E529 Q530 N533F458-L525 HydrophobicContact CD2-CD1 4.15Å; F458-L525 HydrophobicContact CD2-CD2 4.25Å; F458-L525 HydrophobicContact CE2-CD1 4.23Å; F458-L525 HydrophobicContact CE2-CD2 4.18Å; T475-L525 HydrophobicContact CG2-CD2 4.03Å; F476-L525 HydrophobicContact CD1-CD2 4.09Å; F476-L525 HydrophobicContact CE1-CD2 3.38Å; F476-L525 HydrophobicContact CE1-CG 4.38Å; F476-L525 HydrophobicContact CE2-CD2 4.41Å; F476-L525 HydrophobicContact CZ-CD2 3.61Å; E522-L525 WeakPolarHBondContact O-CB 3.29Å; E522-L525 WeakPolarHBondContact O-CG 3.3Å; E522-L525 PolarHBondContact O-N 3.01Å; L525-E529 HydrophobicContact CB-CB 4.03Å; L525-E529 HydrophobicContact CD2-CB 4.07Å; L525-Q530 HydrophobicContact CB-CG 3.6Å; L525-Q530 HydrophobicContact CD1-CG 4.33Å; L525-Q530 PolarHBondContact O-NE2 3.49Å; L525-N533 HydrophobicContact CD1-CB 4.5Å
526T85.1Confident84Confident62 Ų6263.7 Ų63.738%0.3836%0.359SS..  trans-63.6161.2167.462.10000110.7E528 E529 Q530T526-E528 PolarHBondContact O-N 2.97Å; T526-E529 WeakPolarHBondContact CB-OE2 3.49Å; T526-E529 WeakPolarHBondContact CG2-OE2 3.23Å; T526-E529 PolarHBondContact N-OE2 3.48Å; T526-E529 PolarHBondContact O-N 3.23Å; T526-E529 VanDerWaalsContact O-N 3.13Å; T526-E529 WeakPolarHBondContact OG1-CB 3.4Å; T526-E529 VanDerWaalsContact OG1-CG 3.25Å; T526-E529 WeakPolarHBondContact OG1-CG 3.42Å; T526-E529 PolarHBondContact OG1-N 2.72Å; T526-E529 PolarHBondContact OG1-OE2 3.01Å; T526-Q530 WeakPolarHBondContact O-CG 2.84Å; T526-Q530 PolarHBondContact O-N 2.84Å
527A85.9Confident83.5Confident83 Ų8361.3 Ų61.369%0.68634%0.342SS*.Hα-helixtrans-56.8-36.8178.300000112.9R531A527-R531 WeakPolarHBondContact O-CB 3.33Å; A527-R531 PolarHBondContact O-N 3.01Å
528E81.2Confident83.4Confident90 Ų9060 Ų6042%0.42133%0.334SS..Hα-helixtrans-70.2-41.2177.117654.1-161.100112T526 R531 R532T526-E528 PolarHBondContact O-N 2.97Å; E528-R531 WeakPolarHBondContact O-CB 3.41Å; E528-R531 PolarHBondContact O-N 3.34Å; E528-R531 IonicContact OE1-CZ 3.83Å; E528-R531 IonicContact OE1-NE 2.78Å; E528-R531 IonicContact OE1-NH2 3.44Å; E528-R531 PolarHBondContact OE1-NH2 3.27Å; E528-R531 IonicContact OE2-CZ 3.58Å; E528-R531 IonicContact OE2-NE 3.17Å; E528-R531 PolarHBondContact OE2-NE 2.9Å; E528-R531 IonicContact OE2-NH2 2.71Å; E528-R531 PolarHBondContact OE2-NH2 3.36Å; E528-R532 WeakPolarHBondContact O-CG 3.35Å; E528-R532 PolarHBondContact O-N 2.8Å; E528-R532 WeakPolarHBondContact OE1-CD 3.48Å
529E84Confident83.4Confident20 Ų2060.9 Ų60.99%0.09334%0.338CS..Hα-helixtrans-64.2-43.5173.8-74.9159.5166.900111.5F458 T475 L525 T526 R531 R532 N533F458-E529 HydrophobicContact CE2-CB 3.92Å; F458-E529 WeakPolarHBondContact CE2-O 3.48Å; F458-E529 HydrophobicContact CZ-CB 4.19Å; F458-E529 WeakPolarHBondContact CZ-O 3.35Å; T475-E529 VanDerWaalsContact C-OE1 3.22Å; L525-E529 HydrophobicContact CB-CB 4.03Å; L525-E529 HydrophobicContact CD2-CB 4.07Å; T526-E529 WeakPolarHBondContact CB-OE2 3.49Å; T526-E529 WeakPolarHBondContact CG2-OE2 3.23Å; T526-E529 PolarHBondContact N-OE2 3.48Å; T526-E529 PolarHBondContact O-N 3.23Å; T526-E529 VanDerWaalsContact O-N 3.13Å; T526-E529 WeakPolarHBondContact OG1-CB 3.4Å; T526-E529 VanDerWaalsContact OG1-CG 3.25Å; T526-E529 WeakPolarHBondContact OG1-CG 3.42Å; T526-E529 PolarHBondContact OG1-N 2.72Å; T526-E529 PolarHBondContact OG1-OE2 3.01Å; E529-R531 PolarHBondContact O-N 3.35Å; E529-R532 PolarHBondContact O-N 3.18Å; E529-R532 VanDerWaalsContact O-N 3.16Å; E529-N533 WeakPolarHBondContact O-CB 3.47Å; E529-N533 PolarHBondContact O-N 3.17Å
530Q85Confident83.4Confident71 Ų7158.9 Ų58.933%0.33232%0.318SS..Hα-helixtrans-59-37.3174.6-71.1179.7-2.300112L525 T526 K534L525-Q530 HydrophobicContact CB-CG 3.6Å; L525-Q530 HydrophobicContact CD1-CG 4.33Å; L525-Q530 PolarHBondContact O-NE2 3.49Å; T526-Q530 WeakPolarHBondContact O-CG 2.84Å; T526-Q530 PolarHBondContact O-N 2.84Å; Q530-K534 WeakPolarHBondContact O-CD 3.42Å; Q530-K534 VanDerWaalsContact O-CG 3.24Å; Q530-K534 WeakPolarHBondContact O-CG 3.42Å
531R81.6Confident83.5Confident91 Ų9154.5 Ų54.534%0.34329%0.288SS..Hα-helixtrans-67-43.6175.9-167.8-170.866.569.816.9111.3W128 A527 E528 E529 N533 K534W128-R531 VanDerWaalsContact CE2-NH1 3.27Å; W128-R531 VanDerWaalsContact CZ2-NH1 3.31Å; A527-R531 WeakPolarHBondContact O-CB 3.33Å; A527-R531 PolarHBondContact O-N 3.01Å; E528-R531 WeakPolarHBondContact O-CB 3.41Å; E528-R531 PolarHBondContact O-N 3.34Å; E528-R531 IonicContact OE1-CZ 3.83Å; E528-R531 IonicContact OE1-NE 2.78Å; E528-R531 IonicContact OE1-NH2 3.44Å; E528-R531 PolarHBondContact OE1-NH2 3.27Å; E528-R531 IonicContact OE2-CZ 3.58Å; E528-R531 IonicContact OE2-NE 3.17Å; E528-R531 PolarHBondContact OE2-NE 2.9Å; E528-R531 IonicContact OE2-NH2 2.71Å; E528-R531 PolarHBondContact OE2-NH2 3.36Å; E529-R531 PolarHBondContact O-N 3.35Å; R531-N533 VanDerWaalsContact C-N 3.31Å; R531-N533 PolarHBondContact O-N 3.16Å; R531-K534 PolarHBondContact O-N 2.92Å
532R81.4Confident83.8Confident73 Ų7353.4 Ų53.428%0.27529%0.287SS..Hα-helixtrans-68.9-26.1177.1-69.7171.363.1-160.21.6113.6F458 E528 E529 K534F458-R532 HydrophobicContact CE1-CB 4.23Å; F458-R532 HydrophobicContact CZ-CB 3.84Å; E528-R532 WeakPolarHBondContact O-CG 3.35Å; E528-R532 PolarHBondContact O-N 2.8Å; E528-R532 WeakPolarHBondContact OE1-CD 3.48Å; E529-R532 PolarHBondContact O-N 3.18Å; E529-R532 VanDerWaalsContact O-N 3.16Å; R532-K534 VanDerWaalsContact C-N 3.28Å
533N85.7Confident84Confident7 Ų751.5 Ų51.54%0.03728%0.276CS..THydrogen-bonded Turntrans-852.9176.8-154.527.9000113.9L456 F458 L525 E529 R531L456-N533 WeakPolarHBondContact CB-OD1 3.5Å; F458-N533 WeakPolarHBondContact CB-OD1 3.41Å; F458-N533 HydrophobicContact CD2-CB 3.37Å; F458-N533 WeakPolarHBondContact CD2-OD1 3.24Å; F458-N533 HydrophobicContact CE2-CB 3.46Å; F458-N533 VanDerWaalsContact CE2-CB 3.46Å; F458-N533 HydrophobicContact CG-CB 4Å; F458-N533 WeakPolarHBondContact CG-OD1 3.34Å; F458-N533 HydrophobicContact CZ-CB 4.16Å; F458-N533 PolarHBondContact N-OD1 2.8Å; L525-N533 HydrophobicContact CD1-CB 4.5Å; E529-N533 WeakPolarHBondContact O-CB 3.47Å; E529-N533 PolarHBondContact O-N 3.17Å; R531-N533 VanDerWaalsContact C-N 3.31Å; R531-N533 PolarHBondContact O-N 3.16Å
534K83.6Confident83.9Confident118 Ų11847 Ų4751%0.51325%0.252SS..SBendtrans-103.4149.6-178.8-79.2170.6-174.9178.10111.1Q530 R531 R532 G536Q530-K534 WeakPolarHBondContact O-CD 3.42Å; Q530-K534 VanDerWaalsContact O-CG 3.24Å; Q530-K534 WeakPolarHBondContact O-CG 3.42Å; R531-K534 PolarHBondContact O-N 2.92Å; R532-K534 VanDerWaalsContact C-N 3.28Å; K534-G536 PolarHBondContact O-N 3.2Å
535P78.8Confident83.7Confident68 Ų6853.4 Ų53.444%0.44227%0.268SS..  trans-53.7131.7165.2-28.538000111.6D156 R158D156-P535 WeakPolarHBondContact O-CA 3.42Å; R158-P535 HydrophobicContact CB-CB 4.06Å; R158-P535 HydrophobicContact CB-CG 4.49Å; R158-P535 HydrophobicContact CG-CG 4.4Å
536G77.9Confident83.6Confident25 Ų2560 Ų6026%0.25830%0.303SS..BIsolated β-bridgetrans-115-152.516900000111.6D156 K534D156-G536 PolarHBondContact O-N 3Å; D156-G536 VanDerWaalsContact OD2-CA 3.3Å; D156-G536 WeakPolarHBondContact OD2-CA 3.35Å; K534-G536 PolarHBondContact O-N 3.2Å
537C78.8Confident83.1Confident16 Ų1659.7 Ų59.711%0.10830%0.298CS..  trans-148161.8-166.367.60000114.3F539 T573C537-F539 WeakPolarHBondContact O-CD2 3.46Å; C537-F539 WeakPolarHBondContact O-CE2 3.47Å; C537-T573 HydrophobicContact CB-CG2 3.32Å; C537-T573 WeakPolarHBondContact SG-CG2 3.38Å
538C83.5Confident82.6Confident1 Ų164.1 Ų64.11%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-79.7143172.3-51.60000110Y152 S153 L574 F577Y152-C538 WeakPolarHBondContact O-CA 3Å; S153-C538 PolarHBondContact OG-SG 3.21Å; C538-L574 HydrophobicContact CB-CB 4.01Å; C538-L574 HydrophobicContact CB-CD1 4.14Å; C538-L574 HydrophobicContact CB-CG 4.2Å; C538-L574 PolarHBondContact N-O 2.8Å; C538-L574 PolarHBondContact O-N 3.31Å; C538-F577 HydrophobicContact CB-CZ 4.46Å
539F84.7Confident82.3Confident30 Ų3060.6 Ų60.613%0.13229%0.292CS..EExtended strand (participates in β ladder)trans-109.1124.2177.6-61.1-84.9000110M132 I151 Y152 C537 Y541 I570M132-F539 HydrophobicContact CE-CD1 4.39Å; M132-F539 HydrophobicContact CE-CE1 4.32Å; I151-F539 WeakPolarHBondContact CA-O 3.4Å; Y152-F539 HydrophobicContact CD1-CD2 4.02Å; Y152-F539 PolarHBondContact N-O 3.22Å; Y152-F539 PolarHBondContact O-N 3.38Å; C537-F539 WeakPolarHBondContact O-CD2 3.46Å; C537-F539 WeakPolarHBondContact O-CE2 3.47Å; F539-Y541 HydrophobicContact CB-CD2 4.27Å; F539-Y541 HydrophobicContact CB-CE2 3.4Å; F539-I570 HydrophobicContact CD1-CD1 4.01Å; F539-I570 HydrophobicContact CD1-CG2 4.2Å; F539-I570 HydrophobicContact CE1-CD1 4.5Å
540L88.6Confident82Confident18 Ų1866.7 Ų66.79%0.09432%0.321CS..EExtended strand (participates in β ladder)trans-102.1117.9172.6170.663.1000109.9K149 I151 I570 I571 A572 L574K149-L540 HydrophobicContact CB-CD1 4.07Å; K149-L540 HydrophobicContact CG-CD1 4.48Å; I151-L540 HydrophobicContact CD1-CD1 4.22Å; I151-L540 HydrophobicContact CG1-CB 4.47Å; I151-L540 HydrophobicContact CG1-CD1 3.63Å; L540-I570 CarbonylContact O-C 3.48Å; L540-I570 VanDerWaalsContact O-CA 3.3Å; L540-I570 WeakPolarHBondContact O-CA 3.48Å; L540-I571 HydrophobicContact CD2-CB 3.81Å; L540-I571 HydrophobicContact CD2-CD1 3.97Å; L540-I571 HydrophobicContact CD2-CG1 4.42Å; L540-I571 HydrophobicContact CD2-CG2 3.93Å; L540-I571 HydrophobicContact CG-CB 4.02Å; L540-I571 HydrophobicContact CG-CD1 4.18Å; L540-I571 HydrophobicContact CG-CG1 4.48Å; L540-I571 PolarHBondContact O-N 2.85Å; L540-A572 PolarHBondContact N-O 3.3Å; L540-L574 HydrophobicContact CB-CD2 4.48Å
541Y87.2Confident81.7Confident0 Ų067.9 Ų67.90%033%0.33CS..EExtended strand (participates in β ladder)trans-105.7138.9179.8-56.5-96.9000111.6M132 V135 V150 F539 F569 I570M132-Y541 VanDerWaalsContact CE-OH 3.32Å; M132-Y541 WeakPolarHBondContact CE-OH 3.32Å; M132-Y541 WeakPolarHBondContact CG-OH 3.36Å; V135-Y541 HydrophobicContact CG1-CD1 4.05Å; V135-Y541 HydrophobicContact CG1-CD2 3.88Å; V135-Y541 HydrophobicContact CG1-CE1 4.45Å; V135-Y541 HydrophobicContact CG1-CE2 4.28Å; V135-Y541 HydrophobicContact CG1-CG 3.76Å; V150-Y541 PolarHBondContact N-O 3.43Å; V150-Y541 PolarHBondContact O-N 2.87Å; F539-Y541 HydrophobicContact CB-CD2 4.27Å; F539-Y541 HydrophobicContact CB-CE2 3.4Å; Y541-F569 WeakPolarHBondContact CA-O 3.37Å; Y541-I570 HydrophobicContact CD1-CG1 4.23Å; Y541-I570 HydrophobicContact CE1-CD1 4.43Å; Y541-I570 HydrophobicContact CE1-CG1 3.93Å
542T88.2Confident81.4Confident27 Ų2765 Ų6517%0.16632%0.322CS..EExtended strand (participates in β ladder)trans-141152.8167.551.20000111K149 E568 F569 I571K149-T542 HydrophobicContact CG-CG2 3.81Å; T542-E568 WeakPolarHBondContact O-CA 3.34Å; T542-F569 PolarHBondContact N-O 3.43Å; T542-F569 VanDerWaalsContact N-O 3.11Å; T542-F569 PolarHBondContact O-N 3.43Å; T542-I571 HydrophobicContact CG2-CD1 3.32Å; T542-I571 HydrophobicContact CG2-CG1 4.25Å; T542-I571 VanDerWaalsContact OG1-CD1 3.25Å; T542-I571 WeakPolarHBondContact OG1-CD1 3.5Å; T542-I571 WeakPolarHBondContact OG1-CG1 3.46Å
543Y87Confident81Confident59 Ų5965.9 Ų65.923%0.23134%0.335CS..EExtended strand (participates in β ladder)trans-93.2130.7175.4-178.1-99.9000111.2M139 K146 R545 K567M139-Y543 VanDerWaalsContact CE-N 3.31Å; M139-Y543 WeakPolarHBondContact O-CD2 3.03Å; K146-Y543 HydrophobicContact CB-CD1 4.06Å; K146-Y543 HydrophobicContact CB-CG 4.14Å; K146-Y543 HydrophobicContact CD-CD1 4.22Å; K146-Y543 HydrophobicContact CD-CD2 4.48Å; K146-Y543 HydrophobicContact CD-CE1 4.06Å; K146-Y543 HydrophobicContact CD-CE2 4.33Å; K146-Y543 HydrophobicContact CD-CG 4.43Å; K146-Y543 HydrophobicContact CG-CD1 3.92Å; K146-Y543 HydrophobicContact CG-CD2 4.01Å; K146-Y543 HydrophobicContact CG-CE1 4.27Å; K146-Y543 HydrophobicContact CG-CE2 4.34Å; K146-Y543 HydrophobicContact CG-CG 3.79Å; Y543-R545 HydrophobicContact CE1-CB 4.09Å; Y543-K567 HydrophobicContact CD2-CB 4.44Å; Y543-K567 HydrophobicContact CE2-CB 3.88Å
544D83.8Confident80.2Confident65 Ų6565.9 Ų65.935%0.34834%0.336SS..  trans-127.9113.1171-178.4-2000110.8N546 M547 K567D544-N546 PolarHBondContact O-N 3.45Å; D544-N546 WeakPolarHBondContact OD1-CB 3.31Å; D544-N546 PolarHBondContact OD1-N 2.9Å; D544-M547 HydrophobicContact CB-CB 4.2Å; D544-M547 HydrophobicContact CB-CE 4.48Å; D544-M547 PolarHBondContact O-N 3.3Å; D544-K567 PolarHBondContact N-O 3.47Å; D544-K567 VanDerWaalsContact N-O 3.12Å; D544-K567 WeakPolarHBondContact O-CB 3.24Å
545R81.3Confident79.3Confident186 Ų18663.6 Ų63.670%0.70233%0.334SS*.THydrogen-bonded Turntrans-61.5-28.3-178.8-162.2179-159.6-177.95.2113.2Y543 K567Y543-R545 HydrophobicContact CE1-CB 4.09Å; R545-K567 WeakPolarHBondContact O-CD 3.4Å; R545-K567 PolarHBondContact O-NZ 3.06Å
546N82.9Confident78.8Confident149 Ų14963.2 Ų63.280%0.79733%0.329SS*.THydrogen-bonded Turntrans-88.5-6.1-173.8-61.6-33.7000112.8D544D544-N546 PolarHBondContact O-N 3.45Å; D544-N546 WeakPolarHBondContact OD1-CB 3.31Å; D544-N546 PolarHBondContact OD1-N 2.9Å
547M74.9Confident78.3Confident56 Ų5665.4 Ų65.428%0.27634%0.339SS..SBendtrans-76.9149179.7-163.3173.5-74.900112.2D544 G549 F569D544-M547 HydrophobicContact CB-CB 4.2Å; D544-M547 HydrophobicContact CB-CE 4.48Å; D544-M547 PolarHBondContact O-N 3.3Å; M547-G549 PolarHBondContact O-N 2.96Å; M547-F569 HydrophobicContact CE-CB 3.78Å; M547-F569 HydrophobicContact CE-CD1 4.49Å; M547-F569 HydrophobicContact CE-CD2 3.34Å; M547-F569 HydrophobicContact CE-CE2 4.01Å; M547-F569 HydrophobicContact CE-CG 3.65Å; M547-F569 HydrophobicContact SD-CB 4.12Å; M547-F569 HydrophobicContact SD-CD2 3.81Å; M547-F569 HydrophobicContact SD-CG 4.33Å
548Q75.4Confident77.8Confident177 Ų17772.3 Ų72.383%0.82737%0.374SS*.PPolyproline II helixtrans-69.3117.2167.3-173.7174.912.400108.6
549G74.3Confident77Confident15 Ų1575.6 Ų75.616%0.15539%0.392CS..PPolyproline II helixtrans-72.1154.4-177.800000112.6M547 N565 C566M547-G549 PolarHBondContact O-N 2.96Å; G549-N565 WeakPolarHBondContact CA-OD1 3.25Å; G549-N565 PolarHBondContact N-OD1 3.11Å; G549-C566 CarbonylContact C-O 3.51Å; G549-C566 WeakPolarHBondContact CA-O 3.3Å
550Q76.9Confident76.5Confident148 Ų14875.7 Ų75.769%0.69239%0.393SS*.EExtended strand (participates in β ladder)trans-119.5147.7175.7-64.1-1789.200109.8C566Q550-C566 PolarHBondContact N-O 3.41Å; Q550-C566 WeakPolarHBondContact O-CA 3.3Å; Q550-C566 WeakPolarHBondContact O-CB 3.38Å; Q550-C566 PolarHBondContact O-N 3.37Å
551D79.9Confident75.9Confident97 Ų9779 Ų7952%0.51942%0.415SS..EExtended strand (participates in β ladder)trans-79.8125.3174.9-72.1-1.8000109.2T562 V563 K564 N565D551-T562 HydrophobicContact CB-CG2 4Å; D551-V563 WeakPolarHBondContact CA-O 3.29Å; D551-K564 VanDerWaalsContact OD1-CA 3.25Å; D551-K564 WeakPolarHBondContact OD1-CA 3.3Å; D551-N565 PolarHBondContact OD1-N 2.79Å
552V75.5Confident75.6Confident31 Ų3181.2 Ų81.219%0.18843%0.429CS..EExtended strand (participates in β ladder)trans-95.8108.6174-1790000108.1C136 T562 V563 C566C136-V552 HydrophobicContact CB-CG1 4.41Å; C136-V552 HydrophobicContact CB-CG2 4.17Å; V552-T562 CarbonylContact O-C 3.58Å; V552-T562 WeakPolarHBondContact O-CA 3.31Å; V552-T562 WeakPolarHBondContact O-CG2 3.4Å; V552-V563 HydrophobicContact CB-CB 4.22Å; V552-V563 PolarHBondContact N-O 3.19Å; V552-V563 PolarHBondContact O-N 3.41Å; V552-C566 HydrophobicContact CG2-CB 3.75Å
553V71.5Confident75Confident90 Ų9080.7 Ų80.755%0.54543%0.426SS..  trans-84.7129.1178.6-173.60000108.9T562V553-T562 HydrophobicContact CG2-CG2 4.21Å
554S68.7Low74.5Confident7 Ų785.6 Ų85.65%0.04945%0.449CS..  trans-73.6150.9172.9174.80000111.1D556 L560S554-D556 WeakPolarHBondContact CB-O 3.43Å; S554-D556 PolarHBondContact O-N 3.25Å; S554-D556 VanDerWaalsContact OG-C 3.28Å; S554-D556 PolarHBondContact OG-N 3.07Å; S554-D556 PolarHBondContact OG-O 3.21Å; S554-L560 WeakPolarHBondContact CB-O 3.37Å; S554-L560 VanDerWaalsContact OG-CB 3.28Å; S554-L560 WeakPolarHBondContact OG-CB 3.2Å; S554-L560 PolarHBondContact OG-O 2.8Å
555S66.1Low74.1Confident70 Ų7086.8 Ų86.849%0.4946%0.455SS..SBendtrans-62-23.8165.9530000113.1
556D68.2Low73.7Confident61 Ų6178.2 Ų78.233%0.32642%0.423SS..  trans-130.190.9175.2-165.9-44.1000109.2S554 D558 L559 L560S554-D556 WeakPolarHBondContact CB-O 3.43Å; S554-D556 PolarHBondContact O-N 3.25Å; S554-D556 VanDerWaalsContact OG-C 3.28Å; S554-D556 PolarHBondContact OG-N 3.07Å; S554-D556 PolarHBondContact OG-O 3.21Å; D556-D558 VanDerWaalsContact C-N 3.26Å; D556-D558 PolarHBondContact O-N 3.47Å; D556-D558 PolarHBondContact OD1-N 3.41Å; D556-L559 HydrophobicContact CB-CB 4.32Å; D556-L559 PolarHBondContact O-N 2.99Å; D556-L559 PolarHBondContact OD1-N 2.83Å; D556-L559 WeakPolarHBondContact OD2-CD1 3.45Å; D556-L560 PolarHBondContact O-N 3.23Å
557P66.3Low73.2Confident71 Ų7173.6 Ų73.646%0.46140%0.396SS..THydrogen-bonded Turntrans-66.9-25.2-178-21.733.7000113.9
558D69Low72.7Confident161 Ų16172.3 Ų72.386%0.86139%0.39SS*.THydrogen-bonded Turntrans-73.2-35.7-179.4-68.9-29.9000110.8D556D556-D558 VanDerWaalsContact C-N 3.26Å; D556-D558 PolarHBondContact O-N 3.47Å; D556-D558 PolarHBondContact OD1-N 3.41Å
559L67.6Low72.1Confident70 Ų7066.4 Ų66.437%0.36636%0.361SS..THydrogen-bonded Turntrans-91-34.9178-77.1169.1000114Y61 D556Y61-L559 HydrophobicContact CD2-CD2 4.32Å; Y61-L559 HydrophobicContact CG-CD1 4.35Å; Y61-L559 HydrophobicContact CG-CD2 4.05Å; D556-L559 HydrophobicContact CB-CB 4.32Å; D556-L559 PolarHBondContact O-N 2.99Å; D556-L559 PolarHBondContact OD1-N 2.83Å; D556-L559 WeakPolarHBondContact OD2-CD1 3.45Å
560L73.2Confident71.4Confident31 Ų3168 Ų6816%0.16237%0.366CS..SBendtrans-130.697.2-175.5-64.5176000108.5F68 Y133 S554 D556F68-L560 HydrophobicContact CE2-CD2 4.37Å; Y133-L560 HydrophobicContact CD1-CB 4.12Å; Y133-L560 HydrophobicContact CD1-CD1 3.88Å; Y133-L560 HydrophobicContact CD1-CD2 4.04Å; Y133-L560 HydrophobicContact CD1-CG 4.24Å; Y133-L560 HydrophobicContact CD2-CB 4.39Å; Y133-L560 HydrophobicContact CE1-CB 3.75Å; Y133-L560 HydrophobicContact CE1-CD1 4.26Å; Y133-L560 HydrophobicContact CE1-CD2 3.68Å; Y133-L560 HydrophobicContact CE1-CG 4.09Å; Y133-L560 HydrophobicContact CE2-CB 3.99Å; Y133-L560 HydrophobicContact CG-CB 4.44Å; Y133-L560 HydrophobicContact CG-CD1 4.26Å; S554-L560 WeakPolarHBondContact CB-O 3.37Å; S554-L560 VanDerWaalsContact OG-CB 3.28Å; S554-L560 WeakPolarHBondContact OG-CB 3.2Å; S554-L560 PolarHBondContact OG-O 2.8Å; D556-L560 PolarHBondContact O-N 3.23Å
561P77.2Confident70.2Confident87 Ų8763.4 Ų63.457%0.56535%0.345SS*.  trans-66.2143.9-173.626.8-35.1000111.4Y133 V563Y133-P561 WeakPolarHBondContact CE2-O 3.41Å; Y133-P561 VanDerWaalsContact CZ-O 3.29Å; Y133-P561 WeakPolarHBondContact OH-CD 3.01Å; Y133-P561 PolarHBondContact OH-O 3.03Å; P561-V563 PolarHBondContact O-N 3.15Å
562T79.2Confident69.1Low48 Ų4858.8 Ų58.829%0.29432%0.321SS..  trans-46.5125.3176.6-590000112.1D551 V552 V553 K564D551-T562 HydrophobicContact CB-CG2 4Å; V552-T562 CarbonylContact O-C 3.58Å; V552-T562 WeakPolarHBondContact O-CA 3.31Å; V552-T562 WeakPolarHBondContact O-CG2 3.4Å; V553-T562 HydrophobicContact CG2-CG2 4.21Å; T562-K564 PolarHBondContact O-N 2.98Å
563V76.9Confident68.1Low16 Ų1658 Ų5810%0.09732%0.316CS..EExtended strand (participates in β ladder)trans-78.6105.4173.2-175.30000107.7Y133 M137 N140 D551 V552 P561 C566Y133-V563 HydrophobicContact CD2-CG2 4.1Å; Y133-V563 HydrophobicContact CE2-CG2 3.57Å; M137-V563 HydrophobicContact CB-CG2 3.94Å; N140-V563 HydrophobicContact CB-CG1 4.41Å; D551-V563 WeakPolarHBondContact CA-O 3.29Å; V552-V563 HydrophobicContact CB-CB 4.22Å; V552-V563 PolarHBondContact N-O 3.19Å; V552-V563 PolarHBondContact O-N 3.41Å; P561-V563 PolarHBondContact O-N 3.15Å; V563-C566 HydrophobicContact CG1-CB 4.38Å
564K76.8Confident67.4Low162 Ų16253.9 Ų53.970%0.70429%0.291SS*.EExtended strand (participates in β ladder)trans-77.7144.1-178.5-62.7-170.3178.6-176.70112.2D551 T562 C566D551-K564 VanDerWaalsContact OD1-CA 3.25Å; D551-K564 WeakPolarHBondContact OD1-CA 3.3Å; T562-K564 PolarHBondContact O-N 2.98Å; K564-C566 PolarHBondContact O-N 3.35Å
565N74.5Confident66.5Low90 Ų9056.6 Ų56.648%0.48131%0.305SS..EExtended strand (participates in β ladder)trans51.443.4172.6-167.635.6000112.6G549 D551 K567G549-N565 WeakPolarHBondContact CA-OD1 3.25Å; G549-N565 PolarHBondContact N-OD1 3.11Å; D551-N565 PolarHBondContact OD1-N 2.79Å; N565-K567 PolarHBondContact O-N 3.28Å; N565-K567 VanDerWaalsContact O-N 3.16Å
566C72.5Confident65.9Low5 Ų554.1 Ų54.13%0.03429%0.288CS..EExtended strand (participates in β ladder)trans-60.6114.5176.9-177.20000109.6N140 G549 Q550 V552 V563 K564 E568N140-C566 WeakPolarHBondContact ND2-CA 3.26Å; N140-C566 PolarHBondContact ND2-SG 3.44Å; N140-C566 WeakPolarHBondContact OD1-CA 3.13Å; G549-C566 CarbonylContact C-O 3.51Å; G549-C566 WeakPolarHBondContact CA-O 3.3Å; Q550-C566 PolarHBondContact N-O 3.41Å; Q550-C566 WeakPolarHBondContact O-CA 3.3Å; Q550-C566 WeakPolarHBondContact O-CB 3.38Å; Q550-C566 PolarHBondContact O-N 3.37Å; V552-C566 HydrophobicContact CG2-CB 3.75Å; V563-C566 HydrophobicContact CG1-CB 4.38Å; K564-C566 PolarHBondContact O-N 3.35Å; C566-E568 VanDerWaalsContact C-N 3.27Å; C566-E568 PolarHBondContact O-N 3Å; C566-E568 WeakPolarHBondContact SG-CG 3.34Å; C566-E568 PolarHBondContact SG-OE1 2.9Å
567K71.8Confident65.2Low53 Ų5351.9 Ų51.923%0.2328%0.276CS..  trans-96.127.8178.3-61.8-169.7172.2-171.30112.9N140 Y543 D544 R545 N565N140-K567 PolarHBondContact OD1-N 3.27Å; Y543-K567 HydrophobicContact CD2-CB 4.44Å; Y543-K567 HydrophobicContact CE2-CB 3.88Å; D544-K567 PolarHBondContact N-O 3.47Å; D544-K567 VanDerWaalsContact N-O 3.12Å; D544-K567 WeakPolarHBondContact O-CB 3.24Å; R545-K567 WeakPolarHBondContact O-CD 3.4Å; R545-K567 PolarHBondContact O-NZ 3.06Å; N565-K567 PolarHBondContact O-N 3.28Å; N565-K567 VanDerWaalsContact O-N 3.16Å
568E66Low64.4Low29 Ų2953.4 Ų53.414%0.13628%0.277CS..EExtended strand (participates in β ladder)trans-80.3159.9172.785.6-164.2148.300110.6C136 T542 C566C136-E568 WeakPolarHBondContact CA-OE2 3.28Å; C136-E568 WeakPolarHBondContact CB-OE1 3.5Å; C136-E568 WeakPolarHBondContact CB-OE2 3.32Å; C136-E568 PolarHBondContact SG-OE1 3.11Å; C136-E568 PolarHBondContact SG-OE2 2.92Å; T542-E568 WeakPolarHBondContact O-CA 3.34Å; C566-E568 VanDerWaalsContact C-N 3.27Å; C566-E568 PolarHBondContact O-N 3Å; C566-E568 WeakPolarHBondContact SG-CG 3.34Å; C566-E568 PolarHBondContact SG-OE1 2.9Å
569F61.6Low63.4Low52 Ų5251 Ų5123%0.22827%0.272CS..EExtended strand (participates in β ladder)trans-129.9126.5172.8-172-120.3000109Y541 T542 M547 I571Y541-F569 WeakPolarHBondContact CA-O 3.37Å; T542-F569 PolarHBondContact N-O 3.43Å; T542-F569 VanDerWaalsContact N-O 3.11Å; T542-F569 PolarHBondContact O-N 3.43Å; M547-F569 HydrophobicContact CE-CB 3.78Å; M547-F569 HydrophobicContact CE-CD1 4.49Å; M547-F569 HydrophobicContact CE-CD2 3.34Å; M547-F569 HydrophobicContact CE-CE2 4.01Å; M547-F569 HydrophobicContact CE-CG 3.65Å; M547-F569 HydrophobicContact SD-CB 4.12Å; M547-F569 HydrophobicContact SD-CD2 3.81Å; M547-F569 HydrophobicContact SD-CG 4.33Å; F569-I571 HydrophobicContact CD1-CB 4.13Å; F569-I571 HydrophobicContact CD1-CG1 3.53Å; F569-I571 VanDerWaalsContact CE1-CA 3.46Å; F569-I571 HydrophobicContact CE1-CB 4.23Å; F569-I571 HydrophobicContact CE1-CG1 3.99Å; F569-I571 PolarHBondContact O-N 3.23Å
570I59.8Low62.1Low50 Ų5052.9 Ų52.926%0.25629%0.291SS..EExtended strand (participates in β ladder)trans-75100159-62.2170.5000105.5M132 F539 L540 Y541 A572M132-I570 HydrophobicContact CE-CD1 4.22Å; F539-I570 HydrophobicContact CD1-CD1 4.01Å; F539-I570 HydrophobicContact CD1-CG2 4.2Å; F539-I570 HydrophobicContact CE1-CD1 4.5Å; L540-I570 CarbonylContact O-C 3.48Å; L540-I570 VanDerWaalsContact O-CA 3.3Å; L540-I570 WeakPolarHBondContact O-CA 3.48Å; Y541-I570 HydrophobicContact CD1-CG1 4.23Å; Y541-I570 HydrophobicContact CE1-CD1 4.43Å; Y541-I570 HydrophobicContact CE1-CG1 3.93Å; I570-A572 PolarHBondContact O-N 3.24Å
571I52.8Low60.4Low51 Ų5157.5 Ų57.526%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-57.9-41.3179.2-71.8175.2000110.1L540 T542 F569L540-I571 HydrophobicContact CD2-CB 3.81Å; L540-I571 HydrophobicContact CD2-CD1 3.97Å; L540-I571 HydrophobicContact CD2-CG1 4.42Å; L540-I571 HydrophobicContact CD2-CG2 3.93Å; L540-I571 HydrophobicContact CG-CB 4.02Å; L540-I571 HydrophobicContact CG-CD1 4.18Å; L540-I571 HydrophobicContact CG-CG1 4.48Å; L540-I571 PolarHBondContact O-N 2.85Å; T542-I571 HydrophobicContact CG2-CD1 3.32Å; T542-I571 HydrophobicContact CG2-CG1 4.25Å; T542-I571 VanDerWaalsContact OG1-CD1 3.25Å; T542-I571 WeakPolarHBondContact OG1-CD1 3.5Å; T542-I571 WeakPolarHBondContact OG1-CG1 3.46Å; F569-I571 HydrophobicContact CD1-CB 4.13Å; F569-I571 HydrophobicContact CD1-CG1 3.53Å; F569-I571 VanDerWaalsContact CE1-CA 3.46Å; F569-I571 HydrophobicContact CE1-CB 4.23Å; F569-I571 HydrophobicContact CE1-CG1 3.99Å; F569-I571 PolarHBondContact O-N 3.23Å
572A56.7Low58.9Low0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-167.8150.9-177.900000113.3L540 I570 L574 F584L540-A572 PolarHBondContact N-O 3.3Å; I570-A572 PolarHBondContact O-N 3.24Å; A572-L574 HydrophobicContact CB-CD2 3.85Å; A572-F584 HydrophobicContact CB-CB 4.41Å; A572-F584 HydrophobicContact CB-CD1 3.36Å; A572-F584 HydrophobicContact CB-CE1 4.04Å; A572-F584 HydrophobicContact CB-CG 4.36Å
573T53.7Low57Low15 Ų1558.1 Ų58.19%0.09231%0.309CS..EExtended strand (participates in β ladder)trans-76113.7155.4-71.20000107.9C537 L575 V585 V587C537-T573 HydrophobicContact CB-CG2 3.32Å; C537-T573 WeakPolarHBondContact SG-CG2 3.38Å; T573-L575 HydrophobicContact CG2-CD2 4.33Å; T573-V585 PolarHBondContact N-O 3.36Å; T573-V587 WeakPolarHBondContact OG1-CG2 3.43Å
574L56.4Low55.3Low3 Ų362.6 Ų62.62%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-86.9113.7174.4-39178.1000107.6C538 L540 A572 F577 F582 F584C538-L574 HydrophobicContact CB-CB 4.01Å; C538-L574 HydrophobicContact CB-CD1 4.14Å; C538-L574 HydrophobicContact CB-CG 4.2Å; C538-L574 PolarHBondContact N-O 2.8Å; C538-L574 PolarHBondContact O-N 3.31Å; L540-L574 HydrophobicContact CB-CD2 4.48Å; A572-L574 HydrophobicContact CB-CD2 3.85Å; L574-F577 HydrophobicContact CB-CZ 4.46Å; L574-F577 HydrophobicContact CD1-CE1 3.66Å; L574-F577 HydrophobicContact CD1-CZ 3.62Å; L574-F582 HydrophobicContact CB-CD1 4.49Å; L574-F582 HydrophobicContact CB-CE1 3.71Å; L574-F582 HydrophobicContact CB-CZ 4.46Å; L574-F582 HydrophobicContact CD1-CE1 3.86Å; L574-F582 HydrophobicContact CD1-CZ 4.2Å; L574-F582 HydrophobicContact CD2-CD1 4Å; L574-F582 HydrophobicContact CD2-CE1 3.39Å; L574-F582 HydrophobicContact CD2-CZ 4.45Å; L574-F582 HydrophobicContact CG-CE1 3.78Å; L574-F584 HydrophobicContact CD2-CD1 4.16Å; L574-F584 HydrophobicContact CD2-CE1 3.76Å
575L50.5Low53.5Low64 Ų6458.1 Ų58.134%0.33531%0.314SS..  trans-74.4-50-178.8-75.4170.2000111.3Y159 T573 L583 V585Y159-L575 WeakPolarHBondContact CD2-O 3.41Å; Y159-L575 WeakPolarHBondContact CE2-O 3.41Å; T573-L575 HydrophobicContact CG2-CD2 4.33Å; L575-L583 HydrophobicContact CD1-CB 3.82Å; L575-L583 HydrophobicContact CD1-CD1 4.43Å; L575-V585 HydrophobicContact CD1-CG2 4.13Å
576A52.9Low51.5Low17 Ų1758.9 Ų58.914%0.1432%0.318CS..  trans-150.1151.817900000112Y159Y159-A576 HydrophobicContact CD1-CB 3.74Å; Y159-A576 HydrophobicContact CD2-CB 3.82Å; Y159-A576 HydrophobicContact CE1-CB 4.06Å; Y159-A576 HydrophobicContact CE2-CB 4.13Å; Y159-A576 HydrophobicContact CG-CB 3.59Å
577F55.2Low49.9Very low15 Ų1560.4 Ų60.47%0.06633%0.327CS..  trans-10552.7167.6-54.8-76.6000109.6F85 Y170 Y173 C538 L574 F582F85-F577 HydrophobicContact CE2-CZ 4.39Å; Y170-F577 HydrophobicContact CD2-CD1 4.16Å; Y170-F577 AromaticContact CD2-CE1 3.48Å; Y170-F577 HydrophobicContact CD2-CE1 3.48Å; Y170-F577 VanDerWaalsContact CD2-CE1 3.48Å; Y170-F577 AromaticContact CD2-CZ 3.91Å; Y170-F577 HydrophobicContact CD2-CZ 3.91Å; Y170-F577 HydrophobicContact CE2-CE1 4.26Å; Y170-F577 HydrophobicContact CG-CE1 4.42Å; Y173-F577 HydrophobicContact CD1-CD1 4.4Å; C538-F577 HydrophobicContact CB-CZ 4.46Å; L574-F577 HydrophobicContact CB-CZ 4.46Å; L574-F577 HydrophobicContact CD1-CE1 3.66Å; L574-F577 HydrophobicContact CD1-CZ 3.62Å; F577-F582 AromaticContact CD1-CE2 3.83Å; F577-F582 HydrophobicContact CD1-CE2 3.83Å; F577-F582 AromaticContact CD1-CZ 3.47Å; F577-F582 HydrophobicContact CD1-CZ 3.47Å; F577-F582 VanDerWaalsContact CD1-CZ 3.47Å; F577-F582 HydrophobicContact CE1-CE1 4.31Å; F577-F582 HydrophobicContact CE1-CE2 4.3Å; F577-F582 AromaticContact CE1-CZ 3.5Å; F577-F582 HydrophobicContact CE1-CZ 3.5Å; F577-F582 VanDerWaalsContact CE1-CZ 3.5Å
578E48.6Very low48Very low103 Ų10366 Ų6648%0.48135%0.351SS..BIsolated β-bridgetrans-87.7147.5169.2-72.3-169.8164.900109.5S580 I581E578-S580 PolarHBondContact O-N 2.7Å; E578-I581 PolarHBondContact O-N 2.86Å
579S47Very low46.5Very low109 Ų10975.2 Ų75.276%0.76239%0.385SS*.THydrogen-bonded Turntrans-56.411.2-149.535.70000119.1
580S40.4Very low45.1Very low111 Ų11181.1 Ų81.178%0.77641%0.411SS*.THydrogen-bonded Turntrans-161.9-3.3166.7-75.50000116.7E578E578-S580 PolarHBondContact O-N 2.7Å
581I38.5Very low43.6Very low128 Ų12889.5 Ų89.566%0.65644%0.439SS*.BIsolated β-bridgetrans-126111.8-170-58.6177.8000111.6E578E578-I581 PolarHBondContact O-N 2.86Å
582F45.1Very low42.5Very low35 Ų3595.5 Ų95.515%0.15447%0.468CS..  trans-91.3127.5160.1-99.5-100.9000110.4Y173 L574 F577 F584Y173-F582 AromaticContact CD1-CE2 3.63Å; Y173-F582 HydrophobicContact CD1-CE2 3.63Å; Y173-F582 HydrophobicContact CD1-CZ 4.05Å; Y173-F582 AromaticContact CD2-CD2 3.83Å; Y173-F582 HydrophobicContact CD2-CD2 3.83Å; Y173-F582 AromaticContact CD2-CE2 3.42Å; Y173-F582 HydrophobicContact CD2-CE2 3.42Å; Y173-F582 VanDerWaalsContact CD2-CE2 3.42Å; Y173-F582 HydrophobicContact CE1-CD2 4.15Å; Y173-F582 AromaticContact CE1-CE2 3.34Å; Y173-F582 HydrophobicContact CE1-CE2 3.34Å; Y173-F582 AromaticContact CE1-CZ 3.68Å; Y173-F582 HydrophobicContact CE1-CZ 3.68Å; Y173-F582 AromaticContact CE2-CD2 3.22Å; Y173-F582 HydrophobicContact CE2-CD2 3.22Å; Y173-F582 AromaticContact CE2-CE2 3.12Å; Y173-F582 HydrophobicContact CE2-CE2 3.12Å; Y173-F582 HydrophobicContact CE2-CG 4.41Å; Y173-F582 HydrophobicContact CE2-CZ 4.23Å; Y173-F582 HydrophobicContact CG-CD2 4.49Å; Y173-F582 AromaticContact CG-CE2 3.64Å; Y173-F582 HydrophobicContact CG-CE2 3.64Å; Y173-F582 HydrophobicContact CG-CZ 4.45Å; Y173-F582 AromaticContact CZ-CD2 3.38Å; Y173-F582 AromaticContact CZ-CE2 3.04Å; Y173-F582 AromaticContact CZ-CZ 3.75Å; L574-F582 HydrophobicContact CB-CD1 4.49Å; L574-F582 HydrophobicContact CB-CE1 3.71Å; L574-F582 HydrophobicContact CB-CZ 4.46Å; L574-F582 HydrophobicContact CD1-CE1 3.86Å; L574-F582 HydrophobicContact CD1-CZ 4.2Å; L574-F582 HydrophobicContact CD2-CD1 4Å; L574-F582 HydrophobicContact CD2-CE1 3.39Å; L574-F582 HydrophobicContact CD2-CZ 4.45Å; L574-F582 HydrophobicContact CG-CE1 3.78Å; F577-F582 AromaticContact CD1-CE2 3.83Å; F577-F582 HydrophobicContact CD1-CE2 3.83Å; F577-F582 AromaticContact CD1-CZ 3.47Å; F577-F582 HydrophobicContact CD1-CZ 3.47Å; F577-F582 VanDerWaalsContact CD1-CZ 3.47Å; F577-F582 HydrophobicContact CE1-CE1 4.31Å; F577-F582 HydrophobicContact CE1-CE2 4.3Å; F577-F582 AromaticContact CE1-CZ 3.5Å; F577-F582 HydrophobicContact CE1-CZ 3.5Å; F577-F582 VanDerWaalsContact CE1-CZ 3.5Å; F582-F584 HydrophobicContact CB-CD2 3.62Å; F582-F584 HydrophobicContact CB-CE2 3.45Å; F582-F584 VanDerWaalsContact CB-CE2 3.45Å; F582-F584 HydrophobicContact CB-CZ 4.23Å; F582-F584 HydrophobicContact CD1-CD1 4.22Å; F582-F584 AromaticContact CD1-CD2 3.99Å; F582-F584 HydrophobicContact CD1-CD2 3.99Å; F582-F584 AromaticContact CD1-CE1 3.79Å; F582-F584 HydrophobicContact CD1-CE1 3.79Å; F582-F584 AromaticContact CD1-CE2 3.53Å; F582-F584 HydrophobicContact CD1-CE2 3.53Å; F582-F584 HydrophobicContact CD1-CG 4.31Å; F582-F584 AromaticContact CD1-CZ 3.41Å; F582-F584 HydrophobicContact CD1-CZ 3.41Å; F582-F584 VanDerWaalsContact CD1-CZ 3.41Å; F582-F584 HydrophobicContact CE1-CE1 4.15Å; F582-F584 HydrophobicContact CE1-CE2 4.43Å; F582-F584 AromaticContact CE1-CZ 3.9Å; F582-F584 HydrophobicContact CE1-CZ 3.9Å; F582-F584 HydrophobicContact CG-CD2 4.13Å; F582-F584 AromaticContact CG-CE2 3.59Å; F582-F584 HydrophobicContact CG-CE2 3.59Å; F582-F584 AromaticContact CG-CZ 3.87Å; F582-F584 HydrophobicContact CG-CZ 3.87Å
583L40.4Very low41.8Very low112 Ų112100.3 Ų100.359%0.58649%0.491SS*.  trans-93.599.3151.8-88.7149.5000107.7L575 V585L575-L583 HydrophobicContact CD1-CB 3.82Å; L575-L583 HydrophobicContact CD1-CD1 4.43Å; L583-V585 PolarHBondContact O-N 3.04Å
584F39.7Very low41.2Very low110 Ų110104.7 Ų104.748%0.48251%0.513SS..EExtended strand (participates in β ladder)trans-77.3101.3166.9-76-80.6000108.2A572 L574 F582 N586A572-F584 HydrophobicContact CB-CB 4.41Å; A572-F584 HydrophobicContact CB-CD1 3.36Å; A572-F584 HydrophobicContact CB-CE1 4.04Å; A572-F584 HydrophobicContact CB-CG 4.36Å; L574-F584 HydrophobicContact CD2-CD1 4.16Å; L574-F584 HydrophobicContact CD2-CE1 3.76Å; F582-F584 HydrophobicContact CB-CD2 3.62Å; F582-F584 HydrophobicContact CB-CE2 3.45Å; F582-F584 VanDerWaalsContact CB-CE2 3.45Å; F582-F584 HydrophobicContact CB-CZ 4.23Å; F582-F584 HydrophobicContact CD1-CD1 4.22Å; F582-F584 AromaticContact CD1-CD2 3.99Å; F582-F584 HydrophobicContact CD1-CD2 3.99Å; F582-F584 AromaticContact CD1-CE1 3.79Å; F582-F584 HydrophobicContact CD1-CE1 3.79Å; F582-F584 AromaticContact CD1-CE2 3.53Å; F582-F584 HydrophobicContact CD1-CE2 3.53Å; F582-F584 HydrophobicContact CD1-CG 4.31Å; F582-F584 AromaticContact CD1-CZ 3.41Å; F582-F584 HydrophobicContact CD1-CZ 3.41Å; F582-F584 VanDerWaalsContact CD1-CZ 3.41Å; F582-F584 HydrophobicContact CE1-CE1 4.15Å; F582-F584 HydrophobicContact CE1-CE2 4.43Å; F582-F584 AromaticContact CE1-CZ 3.9Å; F582-F584 HydrophobicContact CE1-CZ 3.9Å; F582-F584 HydrophobicContact CG-CD2 4.13Å; F582-F584 AromaticContact CG-CE2 3.59Å; F582-F584 HydrophobicContact CG-CE2 3.59Å; F582-F584 AromaticContact CG-CZ 3.87Å; F582-F584 HydrophobicContact CG-CZ 3.87Å; F584-N586 PolarHBondContact O-N 2.82Å
585V39.1Very low40.3Very low68 Ų68110.4 Ų110.441%0.41254%0.54SS..EExtended strand (participates in β ladder)trans-84.9110.1165-174.40000107.2T573 L575 L583 V587T573-V585 PolarHBondContact N-O 3.36Å; L575-V585 HydrophobicContact CD1-CG2 4.13Å; L583-V585 PolarHBondContact O-N 3.04Å; V585-V587 HydrophobicContact CB-CG2 4.45Å; V585-V587 HydrophobicContact CG1-CG2 4Å; V585-V587 PolarHBondContact O-N 2.77Å
586N32.5Very low39.7Very low107 Ų107113.1 Ų113.157%0.57255%0.552SS**  trans-74.793.2175.1-153.2-35.6000107.9F584 K588F584-N586 PolarHBondContact O-N 2.82Å; N586-K588 VanDerWaalsContact C-N 3.31Å; N586-K588 PolarHBondContact O-N 2.71Å
587V38.9Very low38.9Very low37 Ų37119.1 Ų119.122%0.22458%0.578CS.*  trans-82.478.8-178.3-171.80000109.7T573 V585 R589 F590T573-V587 WeakPolarHBondContact OG1-CG2 3.43Å; V585-V587 HydrophobicContact CB-CG2 4.45Å; V585-V587 HydrophobicContact CG1-CG2 4Å; V585-V587 PolarHBondContact O-N 2.77Å; V587-R589 PolarHBondContact O-N 2.93Å; V587-F590 HydrophobicContact CG1-CD2 3.47Å; V587-F590 VanDerWaalsContact CG1-CD2 3.47Å; V587-F590 HydrophobicContact CG1-CE2 4.08Å; V587-F590 HydrophobicContact CG1-CG 4.41Å
588K33.4Very low37.8Very low171 Ų171126.1 Ų126.174%0.74361%0.612SS**  trans-74.2102155.5-76.9-172.8178.1-179.60107.2N586N586-K588 VanDerWaalsContact C-N 3.31Å; N586-K588 PolarHBondContact O-N 2.71Å
589R34Very low37.1Very low222 Ų222127.7 Ų127.784%0.83862%0.621SS**  trans98.481.8174.9-56.6168.7171.9176.9-2115.4V587V587-R589 PolarHBondContact O-N 2.93Å
590F31Very low36.3Very low175 Ų175129.2 Ų129.277%0.76861%0.611SS**  trans-93.8108133-99.2-81.9000106.2V587 M592V587-F590 HydrophobicContact CG1-CD2 3.47Å; V587-F590 VanDerWaalsContact CG1-CD2 3.47Å; V587-F590 HydrophobicContact CG1-CE2 4.08Å; V587-F590 HydrophobicContact CG1-CG 4.41Å; F590-M592 PolarHBondContact O-N 2.81Å
591R29.3Very low36Very low226 Ų226130.7 Ų130.785%0.85360%0.597SS**  trans-73.2112.6156.9-77.5-178.1171.6175.3-4.4104.7
592M29.7Very low35.7Very low177 Ų177130.9 Ų130.987%0.87259%0.591SS**  trans-64.80157.3-78.2-168.4-175.500109W128 M132 F590W128-M592 HydrophobicContact CH2-CE 3.63Å; W128-M592 HydrophobicContact CZ3-CE 3.54Å; M132-M592 HydrophobicContact CE-CE 4.12Å; M132-M592 HydrophobicContact SD-CE 4.07Å; F590-M592 PolarHBondContact O-N 2.81Å

Retrieved 592 of 592 residues in 256.6 ms (Link to these results)

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