A0A077ZFB6_TRITR Loading...

T2SE domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFB6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 319 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
1M58.6Low79.8Confident214 Ų21486.8 Ų86.8100%1.05445%0.445SS*.  0-54.30-99.4-162.4-86.500112.5A3 L4 S5M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.49Å; M1-L4 PolarHBondContact O-N 2.67Å; M1-S5 PolarHBondContact O-N 2.94Å; M1-S5 PolarHBondContact O-OG 2.75Å
2M66Low80.4Confident138 Ų13887 Ų8768%0.6844%0.443SS*.Hα-helixtrans-49.8-44.4-177.8-86.2177155.800114.8L4 S5 D6M2-L4 VanDerWaalsContact C-N 3.35Å; M2-L4 PolarHBondContact O-N 3.26Å; M2-S5 VanDerWaalsContact CA-OG 3.3Å; M2-S5 WeakPolarHBondContact CA-OG 3.46Å; M2-S5 PolarHBondContact O-N 3.42Å; M2-S5 PolarHBondContact O-OG 3.31Å; M2-D6 VanDerWaalsContact O-CB 3.29Å; M2-D6 WeakPolarHBondContact O-CB 3.45Å; M2-D6 PolarHBondContact O-N 3.5Å
3A78Confident81Confident80 Ų8080.4 Ų80.466%0.66141%0.409SS*.Hα-helixtrans-61.9-39.6179.400000113.5M1 E7M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.49Å; A3-E7 VanDerWaalsContact O-CB 3.24Å; A3-E7 WeakPolarHBondContact O-CB 3.38Å; A3-E7 PolarHBondContact O-N 3.01Å; A3-E7 VanDerWaalsContact O-N 3.11Å
4L80.2Confident81.6Confident79 Ų7975.9 Ų75.941%0.41439%0.387SS..Hα-helixtrans-74-39.3179.7-17966.1000111.4M1 M2 E7 L8 Y37M1-L4 PolarHBondContact O-N 2.67Å; M2-L4 VanDerWaalsContact C-N 3.35Å; M2-L4 PolarHBondContact O-N 3.26Å; L4-E7 PolarHBondContact O-N 3.41Å; L4-L8 HydrophobicContact CD1-CD1 3.86Å; L4-L8 HydrophobicContact CD1-CG 4.01Å; L4-L8 HydrophobicContact CD2-CD1 4.41Å; L4-L8 HydrophobicContact CG-CD1 3.82Å; L4-L8 HydrophobicContact CG-CG 4.3Å; L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 VanDerWaalsContact O-CG 3.27Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.4Å; L4-Y37 HydrophobicContact CD1-CE1 4.19Å
5S80Confident82.2Confident15 Ų1576 Ų7611%0.10539%0.394CS..Hα-helixtrans-66.7-42.2176.6530000111.8M1 M2 E7 L8 F9 L14M1-S5 PolarHBondContact O-N 2.94Å; M1-S5 PolarHBondContact O-OG 2.75Å; M2-S5 VanDerWaalsContact CA-OG 3.3Å; M2-S5 WeakPolarHBondContact CA-OG 3.46Å; M2-S5 PolarHBondContact O-N 3.42Å; M2-S5 PolarHBondContact O-OG 3.31Å; S5-E7 VanDerWaalsContact C-N 3.27Å; S5-E7 PolarHBondContact O-N 3.17Å; S5-L8 PolarHBondContact O-N 2.98Å; S5-F9 WeakPolarHBondContact O-CA 3.24Å; S5-F9 WeakPolarHBondContact O-CB 3.4Å; S5-F9 WeakPolarHBondContact O-CD2 3.31Å; S5-F9 PolarHBondContact O-N 3.41Å; S5-L14 WeakPolarHBondContact OG-CD1 3.41Å
6D85.3Confident82.8Confident53 Ų5378.6 Ų78.628%0.28340%0.397SS..Hα-helixtrans-64.3-37.7178.2-71.3-0.9000110.9M2 G10 R11M2-D6 VanDerWaalsContact O-CB 3.29Å; M2-D6 WeakPolarHBondContact O-CB 3.45Å; M2-D6 PolarHBondContact O-N 3.5Å; D6-G10 CarbonylContact O-C 3.55Å; D6-G10 WeakPolarHBondContact O-CA 3.26Å; D6-G10 PolarHBondContact O-N 3.02Å; D6-R11 HydrophobicContact CB-CG 3.96Å
7E84.1Confident83.3Confident103 Ų10373.9 Ų73.948%0.48137%0.374SS..Hα-helixtrans-68.7-45.9175.5179176.4-169.100112.7A3 L4 S5 R36 Y37A3-E7 VanDerWaalsContact O-CB 3.24Å; A3-E7 WeakPolarHBondContact O-CB 3.38Å; A3-E7 PolarHBondContact O-N 3.01Å; A3-E7 VanDerWaalsContact O-N 3.11Å; L4-E7 PolarHBondContact O-N 3.41Å; S5-E7 VanDerWaalsContact C-N 3.27Å; S5-E7 PolarHBondContact O-N 3.17Å; E7-R36 IonicContact OE1-CZ 3.9Å; E7-R36 IonicContact OE1-NH1 3.87Å; E7-R36 PolarHBondContact OE1-NH1 3.44Å; E7-R36 IonicContact OE1-NH2 2.69Å; E7-R36 IonicContact OE2-CZ 2.77Å; E7-R36 IonicContact OE2-NH1 3.72Å; E7-R36 PolarHBondContact OE2-NH1 2.8Å; E7-R36 IonicContact OE2-NH2 3.95Å; E7-R36 PolarHBondContact OE2-NH2 2.59Å; E7-Y37 PolarHBondContact OE1-OH 3.48Å
8L85.8Confident83.7Confident36 Ų3674.2 Ų74.219%0.18838%0.376CS..Hα-helixtrans-77-42.4-175.9-72177.5000112.6L4 S5 I27 V29 Y37L4-L8 HydrophobicContact CD1-CD1 3.86Å; L4-L8 HydrophobicContact CD1-CG 4.01Å; L4-L8 HydrophobicContact CD2-CD1 4.41Å; L4-L8 HydrophobicContact CG-CD1 3.82Å; L4-L8 HydrophobicContact CG-CG 4.3Å; L4-L8 WeakPolarHBondContact O-CB 3.46Å; L4-L8 VanDerWaalsContact O-CG 3.27Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.4Å; S5-L8 PolarHBondContact O-N 2.98Å; L8-I27 HydrophobicContact CB-CD1 4.29Å; L8-I27 HydrophobicContact CD2-CD1 4.43Å; L8-I27 VanDerWaalsContact O-CG2 3.3Å; L8-I27 WeakPolarHBondContact O-CG2 3.14Å; L8-V29 HydrophobicContact CD2-CG2 4.2Å; L8-Y37 HydrophobicContact CD2-CE1 4.22Å
9F85.6Confident84.2Confident16 Ų1674.2 Ų74.27%0.0738%0.383CS..Hα-helixtrans-108.8-20.7-169.4-53.6-64.3000113.3S5 V13 R25 I27 C49 L51 V65 M67S5-F9 WeakPolarHBondContact O-CA 3.24Å; S5-F9 WeakPolarHBondContact O-CB 3.4Å; S5-F9 WeakPolarHBondContact O-CD2 3.31Å; S5-F9 PolarHBondContact O-N 3.41Å; F9-V13 HydrophobicContact CB-CB 3.96Å; F9-V13 HydrophobicContact CB-CG1 4.03Å; F9-V13 HydrophobicContact CB-CG2 4.04Å; F9-V13 WeakPolarHBondContact O-CG2 3.39Å; F9-R25 PolarHBondContact O-NH1 2.98Å; F9-I27 HydrophobicContact CD1-CD1 4.33Å; F9-I27 HydrophobicContact CD1-CG2 4.12Å; F9-I27 HydrophobicContact CE1-CD1 3.95Å; F9-C49 HydrophobicContact CD1-CB 4.34Å; F9-C49 HydrophobicContact CE1-CB 3.8Å; F9-L51 HydrophobicContact CD1-CD1 4.07Å; F9-L51 HydrophobicContact CD1-CD2 4.29Å; F9-L51 HydrophobicContact CD2-CD2 3.92Å; F9-L51 HydrophobicContact CE1-CD1 4.26Å; F9-L51 HydrophobicContact CE1-CD2 4.44Å; F9-L51 HydrophobicContact CE2-CD2 4.09Å; F9-L51 HydrophobicContact CG-CD2 4.04Å; F9-L51 HydrophobicContact CZ-CD2 4.36Å; F9-V65 HydrophobicContact CE1-CG1 4.46Å; F9-V65 HydrophobicContact CZ-CG1 3.84Å; F9-M67 HydrophobicContact CE1-CE 4.12Å; F9-M67 HydrophobicContact CZ-CE 4.06Å
10G85.7Confident84.5Confident19 Ų1973 Ų7320%0.19639%0.39CS..  trans98148.8-170.500000112.4D6 E12 V13D6-G10 CarbonylContact O-C 3.55Å; D6-G10 WeakPolarHBondContact O-CA 3.26Å; D6-G10 PolarHBondContact O-N 3.02Å; G10-E12 VanDerWaalsContact C-OE2 3.3Å; G10-E12 PolarHBondContact O-N 3.33Å; G10-V13 PolarHBondContact O-N 2.92Å
11R88.2Confident84.9Confident202 Ų20274.8 Ų74.876%0.76240%0.396SS*.THydrogen-bonded Turntrans-65.6-21.6-173.5-68.5-179.1176.8179.20.2113.7D6 P15D6-R11 HydrophobicContact CB-CG 3.96Å; R11-P15 VanDerWaalsContact O-CD 3.23Å; R11-P15 WeakPolarHBondContact O-CD 3.43Å
12E87.4Confident86.5Confident89 Ų8967.9 Ų67.942%0.41637%0.367SS..THydrogen-bonded Turntrans-85.2-16.9-178.778.1-72.5-179.600113.4G10 R16 R25G10-E12 VanDerWaalsContact C-OE2 3.3Å; G10-E12 PolarHBondContact O-N 3.33Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.24Å; E12-R16 PolarHBondContact O-N 3.49Å; E12-R25 IonicContact OE1-CZ 3.93Å; E12-R25 IonicContact OE1-NH1 3.51Å; E12-R25 PolarHBondContact OE1-NH1 2.99Å; E12-R25 IonicContact OE1-NH2 2.8Å; E12-R25 PolarHBondContact OE1-NH2 3.13Å
13V88.3Confident87.6Confident1 Ų161.6 Ų61.61%0.00634%0.336CS..Hα-helixtrans-72-50.2-172.91740000111.4F9 G10 R16 V17 V23 R25 L51F9-V13 HydrophobicContact CB-CB 3.96Å; F9-V13 HydrophobicContact CB-CG1 4.03Å; F9-V13 HydrophobicContact CB-CG2 4.04Å; F9-V13 WeakPolarHBondContact O-CG2 3.39Å; G10-V13 PolarHBondContact O-N 2.92Å; V13-R16 PolarHBondContact O-N 3.12Å; V13-V17 HydrophobicContact CG1-CG2 4.15Å; V13-V17 WeakPolarHBondContact O-CG2 3.32Å; V13-V17 PolarHBondContact O-N 3.45Å; V13-V23 HydrophobicContact CG1-CB 4.19Å; V13-V23 HydrophobicContact CG1-CG1 4.1Å; V13-V23 HydrophobicContact CG1-CG2 4.34Å; V13-V23 HydrophobicContact CG2-CG1 4.41Å; V13-R25 VanDerWaalsContact CG2-CZ 3.48Å; V13-L51 HydrophobicContact CG1-CD1 4.2Å; V13-L51 HydrophobicContact CG1-CD2 3.86Å; V13-L51 HydrophobicContact CG1-CG 4.48Å
14L88.8Confident88Confident18 Ų1861.1 Ų61.19%0.09432%0.322CS..Hα-helixtrans-61.7-45.8-177.6-69.9-163.5000113.4S5 R16 V17 L18 L51 I63S5-L14 WeakPolarHBondContact OG-CD1 3.41Å; L14-R16 VanDerWaalsContact C-N 3.28Å; L14-R16 PolarHBondContact O-N 3.1Å; L14-V17 PolarHBondContact O-N 3.16Å; L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.32Å; L14-L18 PolarHBondContact O-N 3.04Å; L14-L51 HydrophobicContact CD2-CD2 4.47Å; L14-I63 HydrophobicContact CD1-CD1 4.41Å; L14-I63 HydrophobicContact CD2-CD1 3.71Å; L14-I63 HydrophobicContact CD2-CG2 4.5Å
15P91Very high88.1Confident77 Ų7759.4 Ų59.450%0.531%0.31SS..Hα-helixtrans-56.7-40.5174.5-26.835.6000113.1R11 L18 S19R11-P15 VanDerWaalsContact O-CD 3.23Å; R11-P15 WeakPolarHBondContact O-CD 3.43Å; P15-L18 PolarHBondContact O-N 3.3Å; P15-S19 WeakPolarHBondContact O-CB 3.25Å; P15-S19 PolarHBondContact O-N 3.5Å; P15-S19 PolarHBondContact O-OG 3.07Å
16R91.4Very high88.4Confident117 Ų11759.3 Ų59.344%0.44231%0.31SS..Hα-helixtrans-63.4-48.6176.8-74.5179.667.2-176.6-0.4111.7E12 V13 L14 L18 S19 H21 V23E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.24Å; E12-R16 PolarHBondContact O-N 3.49Å; V13-R16 PolarHBondContact O-N 3.12Å; L14-R16 VanDerWaalsContact C-N 3.28Å; L14-R16 PolarHBondContact O-N 3.1Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 PolarHBondContact O-N 3.46Å; R16-S19 WeakPolarHBondContact CA-OG 3.25Å; R16-S19 PolarHBondContact O-N 3.21Å; R16-S19 VanDerWaalsContact O-N 3.11Å; R16-S19 PolarHBondContact O-OG 3.35Å; R16-H21 CarbonylContact C-O 3.55Å; R16-H21 WeakPolarHBondContact O-CB 3.39Å; R16-H21 PolarHBondContact O-N 3.08Å; R16-H21 VanDerWaalsContact O-N 3.11Å; R16-V23 HydrophobicContact CB-CG2 4.16Å
17V92.4Very high88.5Confident0 Ų057.5 Ų57.50%030%0.299CS..Hα-helixtrans-61-44.5178.7177.10000111V13 L14 S19 G20 H21 V23 L51 Q53 I63V13-V17 HydrophobicContact CG1-CG2 4.15Å; V13-V17 WeakPolarHBondContact O-CG2 3.32Å; V13-V17 PolarHBondContact O-N 3.45Å; L14-V17 PolarHBondContact O-N 3.16Å; V17-S19 PolarHBondContact O-N 3.47Å; V17-G20 PolarHBondContact O-N 3.25Å; V17-H21 VanDerWaalsContact CA-O 3.31Å; V17-H21 WeakPolarHBondContact CA-O 3.38Å; V17-V23 HydrophobicContact CG2-CB 4.06Å; V17-V23 HydrophobicContact CG2-CG2 3.76Å; V17-L51 HydrophobicContact CG1-CB 4.5Å; V17-L51 HydrophobicContact CG2-CB 3.7Å; V17-Q53 HydrophobicContact CG1-CB 4.09Å; V17-Q53 WeakPolarHBondContact O-CB 3.46Å; V17-Q53 PolarHBondContact O-OE1 2.99Å; V17-Q53 VanDerWaalsContact O-OE1 3.1Å; V17-I63 HydrophobicContact CG1-CG1 4.26Å; V17-I63 HydrophobicContact CG1-CG2 4.32Å
18L90.7Very high88.6Confident79 Ų7957 Ų5741%0.41430%0.297SS..Hα-helixtrans-68.7-16.9177.4-70.3172.4000114.3L14 P15 R16 G20 Q53 I63L14-L18 WeakPolarHBondContact O-CB 3.33Å; L14-L18 VanDerWaalsContact O-CG 3.3Å; L14-L18 WeakPolarHBondContact O-CG 3.32Å; L14-L18 PolarHBondContact O-N 3.04Å; P15-L18 PolarHBondContact O-N 3.3Å; R16-L18 VanDerWaalsContact C-N 3.34Å; R16-L18 PolarHBondContact O-N 3.46Å; L18-G20 VanDerWaalsContact C-N 3.28Å; L18-Q53 VanDerWaalsContact CA-OE1 3.24Å; L18-Q53 PolarHBondContact O-OE1 3.18Å; L18-I63 HydrophobicContact CD2-CD1 4.01Å; L18-I63 HydrophobicContact CD2-CG1 4.03Å; L18-I63 HydrophobicContact CG-CD1 4.19Å; L18-I63 HydrophobicContact CG-CG1 4.48Å
19S92.3Very high88.7Confident74 Ų7455.9 Ų55.952%0.51729%0.292SS..THydrogen-bonded Turntrans-88.58.7171.265.60000113.3P15 R16 V17 H21P15-S19 WeakPolarHBondContact O-CB 3.25Å; P15-S19 PolarHBondContact O-N 3.5Å; P15-S19 PolarHBondContact O-OG 3.07Å; R16-S19 WeakPolarHBondContact CA-OG 3.25Å; R16-S19 PolarHBondContact O-N 3.21Å; R16-S19 VanDerWaalsContact O-N 3.11Å; R16-S19 PolarHBondContact O-OG 3.35Å; V17-S19 PolarHBondContact O-N 3.47Å; S19-H21 PolarHBondContact OG-CD2 2.96Å; S19-H21 VanDerWaalsContact OG-CD2 3.3Å
20G91Very high88.8Confident50 Ų5057.7 Ų57.752%0.51531%0.306SS..THydrogen-bonded Turntrans84.418.5178.600000114.5V17 L18 P22V17-G20 PolarHBondContact O-N 3.25Å; L18-G20 VanDerWaalsContact C-N 3.28Å; G20-P22 WeakPolarHBondContact O-CD 3.49Å
21H92.2Very high88.8Confident111 Ų11157.3 Ų57.351%0.51430%0.303SS..  trans-109.3103175.8-61.9-58.8000110.3R16 V17 S19R16-H21 CarbonylContact C-O 3.55Å; R16-H21 WeakPolarHBondContact O-CB 3.39Å; R16-H21 PolarHBondContact O-N 3.08Å; R16-H21 VanDerWaalsContact O-N 3.11Å; V17-H21 VanDerWaalsContact CA-O 3.31Å; V17-H21 WeakPolarHBondContact CA-O 3.38Å; S19-H21 PolarHBondContact OG-CD2 2.96Å; S19-H21 VanDerWaalsContact OG-CD2 3.3Å
22P92.5Very high88.7Confident68 Ų6850.2 Ų50.244%0.44228%0.28SS..  trans-54.9147.8172.3-21.731.9000111.3G20 L51 I52G20-P22 WeakPolarHBondContact O-CD 3.49Å; P22-L51 CarbonylContact C-O 3.53Å; P22-L51 VanDerWaalsContact CA-O 3.31Å; P22-L51 WeakPolarHBondContact CA-O 3.45Å; P22-I52 HydrophobicContact CB-CB 4.41Å; P22-I52 HydrophobicContact CB-CD1 4.4Å; P22-I52 HydrophobicContact CB-CG1 4.34Å; P22-I52 HydrophobicContact CG-CD1 3.92Å; P22-I52 HydrophobicContact CG-CG1 4.04Å
23V89.3Confident88.7Confident7 Ų750.8 Ų50.84%0.04230%0.3CS..EExtended strand (participates in β ladder)trans-128.3117.9-179.8178.30000109.3V13 R16 V17 R25 L51V13-V23 HydrophobicContact CG1-CB 4.19Å; V13-V23 HydrophobicContact CG1-CG1 4.1Å; V13-V23 HydrophobicContact CG1-CG2 4.34Å; V13-V23 HydrophobicContact CG2-CG1 4.41Å; R16-V23 HydrophobicContact CB-CG2 4.16Å; V17-V23 HydrophobicContact CG2-CB 4.06Å; V17-V23 HydrophobicContact CG2-CG2 3.76Å; V23-R25 HydrophobicContact CG1-CB 4.35Å; V23-L51 PolarHBondContact N-O 2.94Å; V23-L51 PolarHBondContact O-N 3.36Å
24D86.9Confident88.6Confident69 Ų6955.2 Ų55.237%0.36933%0.331SS..EExtended strand (participates in β ladder)trans-91.3134161.4-72-70.1000109.1C49 H50D24-C49 WeakPolarHBondContact CA-O 3.16Å; D24-H50 VanDerWaalsContact CG-ND1 3.32Å; D24-H50 IonicContact OD1-CE1 3.74Å; D24-H50 IonicContact OD1-CG 2.65Å; D24-H50 IonicContact OD1-ND1 3.05Å; D24-H50 PolarHBondContact OD1-ND1 3.16Å; D24-H50 IonicContact OD2-CE1 3.49Å; D24-H50 IonicContact OD2-ND1 2.64Å; D24-H50 PolarHBondContact OD2-ND1 3.05Å
25R82.2Confident88.3Confident43 Ų4355.8 Ų55.816%0.16234%0.341CS..EExtended strand (participates in β ladder)trans-154.2142.8179-174.9168.4-70.5-158.1-4.2111.3F9 E12 V13 V23 I27 C49F9-R25 PolarHBondContact O-NH1 2.98Å; E12-R25 IonicContact OE1-CZ 3.93Å; E12-R25 IonicContact OE1-NH1 3.51Å; E12-R25 PolarHBondContact OE1-NH1 2.99Å; E12-R25 IonicContact OE1-NH2 2.8Å; E12-R25 PolarHBondContact OE1-NH2 3.13Å; V13-R25 VanDerWaalsContact CG2-CZ 3.48Å; V23-R25 HydrophobicContact CG1-CB 4.35Å; R25-I27 HydrophobicContact CG-CG2 4.14Å; R25-C49 PolarHBondContact N-O 3.5Å; R25-C49 WeakPolarHBondContact O-CB 3.18Å; R25-C49 PolarHBondContact O-N 3.48Å
26T84.6Confident87.9Confident14 Ų1458 Ų589%0.08634%0.34CS..EExtended strand (participates in β ladder)trans-93.3130.1164.2-640000110.7L47 I70 P133 V134T26-L47 WeakPolarHBondContact CA-O 3.39Å; T26-I70 HydrophobicContact CG2-CD1 3.45Å; T26-I70 VanDerWaalsContact CG2-CD1 3.45Å; T26-P133 VanDerWaalsContact OG1-CB 3.29Å; T26-P133 WeakPolarHBondContact OG1-CB 3.21Å; T26-P133 WeakPolarHBondContact OG1-CG 3.45Å; T26-V134 PolarHBondContact OG1-O 3.41Å
27I87.3Confident87.5Confident14 Ų1455.9 Ų55.97%0.07233%0.332CS..EExtended strand (participates in β ladder)trans-117.6154.317570171.7000110.4L8 F9 R25 V29 R46 L47 M67L8-I27 HydrophobicContact CB-CD1 4.29Å; L8-I27 HydrophobicContact CD2-CD1 4.43Å; L8-I27 VanDerWaalsContact O-CG2 3.3Å; L8-I27 WeakPolarHBondContact O-CG2 3.14Å; F9-I27 HydrophobicContact CD1-CD1 4.33Å; F9-I27 HydrophobicContact CD1-CG2 4.12Å; F9-I27 HydrophobicContact CE1-CD1 3.95Å; R25-I27 HydrophobicContact CG-CG2 4.14Å; I27-V29 HydrophobicContact CD1-CG2 4.2Å; I27-R46 WeakPolarHBondContact O-CA 3.38Å; I27-L47 HydrophobicContact CD1-CB 4.47Å; I27-L47 HydrophobicContact CD1-CD1 4.37Å; I27-L47 HydrophobicContact CG1-CB 3.9Å; I27-L47 PolarHBondContact N-O 2.89Å; I27-L47 PolarHBondContact O-N 2.99Å; I27-M67 HydrophobicContact CD1-CE 3.6Å
28Q87.4Confident87.3Confident92 Ų9259.2 Ų59.243%0.4337%0.366SS..EExtended strand (participates in β ladder)trans-117.5114171.9-176.6179.9-80.600109.5R44 R46Q28-R44 HydrophobicContact CG-CB 4.31Å; Q28-R46 HydrophobicContact CB-CG 4.29Å; Q28-R46 HydrophobicContact CG-CG 4.19Å
29V88.3Confident87Confident14 Ų1456.7 Ų56.79%0.08535%0.353CS..EExtended strand (participates in β ladder)trans-90.3121.5173.1-1730000107.8L8 I27 Y37 L39 R44 V45 L47L8-V29 HydrophobicContact CD2-CG2 4.2Å; I27-V29 HydrophobicContact CD1-CG2 4.2Å; V29-Y37 HydrophobicContact CG1-CD1 4.1Å; V29-Y37 HydrophobicContact CG1-CD2 3.25Å; V29-Y37 HydrophobicContact CG1-CE2 3.77Å; V29-Y37 HydrophobicContact CG1-CG 3.44Å; V29-Y37 VanDerWaalsContact CG1-CG 3.44Å; V29-L39 HydrophobicContact CB-CD1 4.3Å; V29-L39 HydrophobicContact CG1-CD1 4.04Å; V29-R44 WeakPolarHBondContact O-CA 3.2Å; V29-V45 PolarHBondContact N-O 3.23Å; V29-V45 PolarHBondContact O-N 3.49Å; V29-L47 HydrophobicContact CG2-CD1 3.9Å
30S87.7Confident86.7Confident53 Ų5359.8 Ų59.837%0.37136%0.359SS..EExtended strand (participates in β ladder)trans-104.4137.2177.3-56.70000109.9
31G85.8Confident86.5Confident12 Ų1267.9 Ų67.912%0.12437%0.374CS..  trans-70.8148.1173.700000112.3L39 Q40 Q43G31-L39 VanDerWaalsContact CA-CB 3.41Å; G31-L39 WeakPolarHBondContact CA-O 3.5Å; G31-Q40 WeakPolarHBondContact CA-O 3.43Å; G31-Q43 PolarHBondContact N-O 3.45Å
32D86.4Confident86Confident53 Ų5365.8 Ų65.828%0.28338%0.382SS..  trans-123.7176.1178.463.633.9000110.7S34 G35 R36 L39 R41D32-S34 VanDerWaalsContact CG-OG 3.3Å; D32-S34 PolarHBondContact O-N 3.26Å; D32-S34 WeakPolarHBondContact OD1-CA 2.98Å; D32-S34 WeakPolarHBondContact OD1-CB 3.33Å; D32-S34 PolarHBondContact OD1-N 3.24Å; D32-S34 PolarHBondContact OD1-OG 2.96Å; D32-S34 PolarHBondContact OD2-OG 3.37Å; D32-G35 PolarHBondContact O-N 2.93Å; D32-G35 PolarHBondContact OD1-N 3.3Å; D32-R36 PolarHBondContact OD1-N 2.88Å; D32-R36 VanDerWaalsContact OD2-CB 3.29Å; D32-R36 WeakPolarHBondContact OD2-CB 3.39Å; D32-L39 PolarHBondContact N-O 3.1Å; D32-R41 PolarHBondContact O-N 3.38Å
33A85.4Confident85.7Confident100 Ų10066.9 Ų66.983%0.82638%0.382SS*.THydrogen-bonded Turntrans-65.6-18.1179.800000113.3
34S86.8Confident85.6Confident94 Ų9474.5 Ų74.566%0.65741%0.41SS*.THydrogen-bonded Turntrans-88.9-9.4178.273.60000113.2D32 R36D32-S34 VanDerWaalsContact CG-OG 3.3Å; D32-S34 PolarHBondContact O-N 3.26Å; D32-S34 WeakPolarHBondContact OD1-CA 2.98Å; D32-S34 WeakPolarHBondContact OD1-CB 3.33Å; D32-S34 PolarHBondContact OD1-N 3.24Å; D32-S34 PolarHBondContact OD1-OG 2.96Å; D32-S34 PolarHBondContact OD2-OG 3.37Å; S34-R36 VanDerWaalsContact C-N 3.26Å; S34-R36 PolarHBondContact O-N 2.84Å
35G83.2Confident85.6Confident31 Ų3173.3 Ų73.332%0.3241%0.405SS..  trans65.329.8-175.500000112.6D32 Y37 G38D32-G35 PolarHBondContact O-N 2.93Å; D32-G35 PolarHBondContact OD1-N 3.3Å; G35-Y37 PolarHBondContact O-N 3.36Å; G35-G38 PolarHBondContact O-N 2.86Å
36R82.7Confident85.9Confident122 Ų12273 Ų7346%0.4640%0.404SS..THydrogen-bonded Turntrans-49.2-35.6-169.4-177.3175.2-179.2-168.1-7.6114.8E7 D32 S34E7-R36 IonicContact OE1-CZ 3.9Å; E7-R36 IonicContact OE1-NH1 3.87Å; E7-R36 PolarHBondContact OE1-NH1 3.44Å; E7-R36 IonicContact OE1-NH2 2.69Å; E7-R36 IonicContact OE2-CZ 2.77Å; E7-R36 IonicContact OE2-NH1 3.72Å; E7-R36 PolarHBondContact OE2-NH1 2.8Å; E7-R36 IonicContact OE2-NH2 3.95Å; E7-R36 PolarHBondContact OE2-NH2 2.59Å; D32-R36 PolarHBondContact OD1-N 2.88Å; D32-R36 VanDerWaalsContact OD2-CB 3.29Å; D32-R36 WeakPolarHBondContact OD2-CB 3.39Å; S34-R36 VanDerWaalsContact C-N 3.26Å; S34-R36 PolarHBondContact O-N 2.84Å
37Y83.2Confident86.2Confident74 Ų7473.6 Ų73.629%0.2941%0.406SS..THydrogen-bonded Turntrans-110.116.1-178.8-56-67.7000113.4L4 E7 L8 V29 G35 L39L4-Y37 HydrophobicContact CD1-CE1 4.19Å; E7-Y37 PolarHBondContact OE1-OH 3.48Å; L8-Y37 HydrophobicContact CD2-CE1 4.22Å; V29-Y37 HydrophobicContact CG1-CD1 4.1Å; V29-Y37 HydrophobicContact CG1-CD2 3.25Å; V29-Y37 HydrophobicContact CG1-CE2 3.77Å; V29-Y37 HydrophobicContact CG1-CG 3.44Å; V29-Y37 VanDerWaalsContact CG1-CG 3.44Å; G35-Y37 PolarHBondContact O-N 3.36Å; Y37-L39 PolarHBondContact O-N 2.85Å
38G86.9Confident86.2Confident69 Ų6976.2 Ų76.271%0.71142%0.415SS*.SBendtrans71.710.9-167.900000113.7G35G35-G38 PolarHBondContact O-N 2.86Å
39L85.8Confident86.3Confident26 Ų2671.9 Ų71.914%0.13640%0.395CS..  trans-107.7129.4177.9-62.3177.8000110.1V29 G31 D32 Y37 Q43 V45V29-L39 HydrophobicContact CB-CD1 4.3Å; V29-L39 HydrophobicContact CG1-CD1 4.04Å; G31-L39 VanDerWaalsContact CA-CB 3.41Å; G31-L39 WeakPolarHBondContact CA-O 3.5Å; D32-L39 PolarHBondContact N-O 3.1Å; Y37-L39 PolarHBondContact O-N 2.85Å; L39-Q43 HydrophobicContact CB-CB 4.21Å; L39-Q43 HydrophobicContact CD2-CB 4.26Å; L39-V45 HydrophobicContact CD1-CB 4.12Å; L39-V45 HydrophobicContact CD1-CG2 3.88Å; L39-V45 HydrophobicContact CD2-CG2 3.65Å; L39-V45 HydrophobicContact CG-CG2 4.39Å
40Q86.2Confident86.5Confident139 Ų13974 Ų7465%0.6540%0.403SS*.  trans-76.9159.8174.3-61.3-176.70.100111.3G31 G42 Q43G31-Q40 WeakPolarHBondContact CA-O 3.43Å; Q40-G42 PolarHBondContact O-N 2.76Å; Q40-Q43 HydrophobicContact CB-CG 4.34Å; Q40-Q43 VanDerWaalsContact O-CB 3.32Å; Q40-Q43 WeakPolarHBondContact O-CB 3.5Å; Q40-Q43 PolarHBondContact O-N 3.29Å
41R85.2Confident86.8Confident221 Ų22171.4 Ų71.483%0.83439%0.386SS*.THydrogen-bonded Turntrans-50.6123.9175-173.9179.5179.8-176.7-0.3110.9D32D32-R41 PolarHBondContact O-N 3.38Å
42G82.4Confident87.2Confident66 Ų6674 Ų7468%0.6840%0.396SS*.THydrogen-bonded Turntrans96.4-20.6-178.800000114.2Q40Q40-G42 PolarHBondContact O-N 2.76Å
43Q86.5Confident87.6Confident91 Ų9173.9 Ų73.943%0.42539%0.394SS..  trans-75142.9171.4-63.5-179-30.700110.3G31 L39 Q40G31-Q43 PolarHBondContact N-O 3.45Å; L39-Q43 HydrophobicContact CB-CB 4.21Å; L39-Q43 HydrophobicContact CD2-CB 4.26Å; Q40-Q43 HydrophobicContact CB-CG 4.34Å; Q40-Q43 VanDerWaalsContact O-CB 3.32Å; Q40-Q43 WeakPolarHBondContact O-CB 3.5Å; Q40-Q43 PolarHBondContact O-N 3.29Å
44R86.6Confident87.9Confident168 Ų16870.8 Ų70.863%0.63437%0.372SS*.EExtended strand (participates in β ladder)trans-138.6140.8178.6-62.7174.7-179.2178.74.8108.5Q28 V29Q28-R44 HydrophobicContact CG-CB 4.31Å; V29-R44 WeakPolarHBondContact O-CA 3.2Å
45V87.8Confident88.2Confident44 Ų4471 Ų7127%0.26737%0.37SS..EExtended strand (participates in β ladder)trans-127.3130.6171.6175.20000108V29 L39 L47 V69V29-V45 PolarHBondContact N-O 3.23Å; V29-V45 PolarHBondContact O-N 3.49Å; L39-V45 HydrophobicContact CD1-CB 4.12Å; L39-V45 HydrophobicContact CD1-CG2 3.88Å; L39-V45 HydrophobicContact CD2-CG2 3.65Å; L39-V45 HydrophobicContact CG-CG2 4.39Å; V45-L47 HydrophobicContact CG1-CD2 3.71Å; V45-L47 HydrophobicContact CG1-CG 4.14Å; V45-V69 HydrophobicContact CG1-CG1 4.27Å
46R88.7Confident88.5Confident37 Ų3773 Ų7314%0.1438%0.378CS..EExtended strand (participates in β ladder)trans-95.9135.8172.1-65.1-174.171.6-140.41.8109.3I27 Q28 I70 V134 E135 I137I27-R46 WeakPolarHBondContact O-CA 3.38Å; Q28-R46 HydrophobicContact CB-CG 4.29Å; Q28-R46 HydrophobicContact CG-CG 4.19Å; R46-I70 HydrophobicContact CB-CB 4.21Å; R46-I70 HydrophobicContact CB-CD1 4.28Å; R46-I70 PolarHBondContact O-N 2.88Å; R46-V134 PolarHBondContact NH2-O 3.19Å; R46-E135 PolarHBondContact NH1-O 2.88Å; R46-I137 VanDerWaalsContact NH1-CD1 3.29Å
47L89.5Confident88.9Confident25 Ų2571.9 Ų71.913%0.13140%0.395CS..EExtended strand (participates in β ladder)trans-126.9130-177.3-58.4173.2000108.7T26 I27 V29 V45 M67 R68 V69T26-L47 WeakPolarHBondContact CA-O 3.39Å; I27-L47 HydrophobicContact CD1-CB 4.47Å; I27-L47 HydrophobicContact CD1-CD1 4.37Å; I27-L47 HydrophobicContact CG1-CB 3.9Å; I27-L47 PolarHBondContact N-O 2.89Å; I27-L47 PolarHBondContact O-N 2.99Å; V29-L47 HydrophobicContact CG2-CD1 3.9Å; V45-L47 HydrophobicContact CG1-CD2 3.71Å; V45-L47 HydrophobicContact CG1-CG 4.14Å; L47-M67 HydrophobicContact CB-CE 4.38Å; L47-M67 HydrophobicContact CD1-CE 3.44Å; L47-M67 VanDerWaalsContact CD1-CE 3.44Å; L47-R68 CarbonylContact C-O 3.55Å; L47-R68 WeakPolarHBondContact CA-O 3.36Å; L47-V69 HydrophobicContact CD2-CB 4.41Å; L47-V69 HydrophobicContact CD2-CG2 3.88Å
48R87.7Confident89.3Confident70 Ų7075 Ų7526%0.26442%0.422SS..EExtended strand (participates in β ladder)trans-82.9122.2163.9-179.5172.7-179.8165.35.7107.5M67 R68 I70 P133 E135R48-M67 CarbonylContact O-C 3.49Å; R48-M67 WeakPolarHBondContact O-CA 3.48Å; R48-R68 PolarHBondContact N-O 3.44Å; R48-R68 PolarHBondContact O-N 3.2Å; R48-I70 HydrophobicContact CB-CD1 3.97Å; R48-I70 HydrophobicContact CB-CG1 3.96Å; R48-P133 HydrophobicContact CG-CG 4.06Å; R48-P133 VanDerWaalsContact CZ-CD 3.42Å; R48-E135 IonicContact NH1-OE1 3.21Å; R48-E135 PolarHBondContact NH1-OE1 3.48Å; R48-E135 VanDerWaalsContact NH1-OE1 3.13Å
49C90.4Very high89.5Confident0 Ų077.7 Ų77.70%042%0.416CS..EExtended strand (participates in β ladder)trans-117.4128.9-176.3-59.90000109.6F9 D24 R25 L51 T66 M67F9-C49 HydrophobicContact CD1-CB 4.34Å; F9-C49 HydrophobicContact CE1-CB 3.8Å; D24-C49 WeakPolarHBondContact CA-O 3.16Å; R25-C49 PolarHBondContact N-O 3.5Å; R25-C49 WeakPolarHBondContact O-CB 3.18Å; R25-C49 PolarHBondContact O-N 3.48Å; C49-L51 HydrophobicContact CB-CD1 4.08Å; C49-T66 CarbonylContact C-O 3.58Å; C49-T66 VanDerWaalsContact CA-O 3.31Å; C49-T66 WeakPolarHBondContact CA-O 3.36Å; C49-M67 VanDerWaalsContact SG-CE 3.51Å
50H92.1Very high89.6Confident58 Ų5883.9 Ų83.927%0.26944%0.444SS..EExtended strand (participates in β ladder)trans-113.8122169.1-177.577.9000108.4D24 V65 T66D24-H50 VanDerWaalsContact CG-ND1 3.32Å; D24-H50 IonicContact OD1-CE1 3.74Å; D24-H50 IonicContact OD1-CG 2.65Å; D24-H50 IonicContact OD1-ND1 3.05Å; D24-H50 PolarHBondContact OD1-ND1 3.16Å; D24-H50 IonicContact OD2-CE1 3.49Å; D24-H50 IonicContact OD2-ND1 2.64Å; D24-H50 PolarHBondContact OD2-ND1 3.05Å; H50-V65 WeakPolarHBondContact O-CA 3.38Å; H50-T66 PolarHBondContact N-O 3.06Å; H50-T66 PolarHBondContact O-N 2.93Å
51L93.6Very high89.7Confident0 Ų084 Ų840%044%0.443CS..EExtended strand (participates in β ladder)trans-116.6127.6179.1-59.692.9000109.9F9 V13 L14 V17 P22 V23 C49 S64 V65F9-L51 HydrophobicContact CD1-CD1 4.07Å; F9-L51 HydrophobicContact CD1-CD2 4.29Å; F9-L51 HydrophobicContact CD2-CD2 3.92Å; F9-L51 HydrophobicContact CE1-CD1 4.26Å; F9-L51 HydrophobicContact CE1-CD2 4.44Å; F9-L51 HydrophobicContact CE2-CD2 4.09Å; F9-L51 HydrophobicContact CG-CD2 4.04Å; F9-L51 HydrophobicContact CZ-CD2 4.36Å; V13-L51 HydrophobicContact CG1-CD1 4.2Å; V13-L51 HydrophobicContact CG1-CD2 3.86Å; V13-L51 HydrophobicContact CG1-CG 4.48Å; L14-L51 HydrophobicContact CD2-CD2 4.47Å; V17-L51 HydrophobicContact CG1-CB 4.5Å; V17-L51 HydrophobicContact CG2-CB 3.7Å; P22-L51 CarbonylContact C-O 3.53Å; P22-L51 VanDerWaalsContact CA-O 3.31Å; P22-L51 WeakPolarHBondContact CA-O 3.45Å; V23-L51 PolarHBondContact N-O 2.94Å; V23-L51 PolarHBondContact O-N 3.36Å; C49-L51 HydrophobicContact CB-CD1 4.08Å; L51-S64 WeakPolarHBondContact CA-O 3.37Å; L51-V65 HydrophobicContact CD2-CG2 3.94Å; L51-V65 HydrophobicContact CG-CG1 4.26Å; L51-V65 HydrophobicContact CG-CG2 4.13Å
52I95Very high90Very high67 Ų6775.4 Ų75.434%0.34442%0.415SS..EExtended strand (participates in β ladder)trans-142.7142.7179.1-173.3163.1000110.6P22 S64P22-I52 HydrophobicContact CB-CB 4.41Å; P22-I52 HydrophobicContact CB-CD1 4.4Å; P22-I52 HydrophobicContact CB-CG1 4.34Å; P22-I52 HydrophobicContact CG-CD1 3.92Å; P22-I52 HydrophobicContact CG-CG1 4.04Å; I52-S64 PolarHBondContact N-O 3.5Å; I52-S64 PolarHBondContact O-N 2.88Å
53Q93.8Very high90.3Very high49 Ų4974.8 Ų74.823%0.22940%0.395CS..EExtended strand (participates in β ladder)trans-85.7136.9171.8-178.5-166.9-17.600109.8V17 L18 K61 V62V17-Q53 HydrophobicContact CG1-CB 4.09Å; V17-Q53 WeakPolarHBondContact O-CB 3.46Å; V17-Q53 PolarHBondContact O-OE1 2.99Å; V17-Q53 VanDerWaalsContact O-OE1 3.1Å; L18-Q53 VanDerWaalsContact CA-OE1 3.24Å; L18-Q53 PolarHBondContact O-OE1 3.18Å; Q53-K61 HydrophobicContact CG-CB 4.29Å; Q53-K61 VanDerWaalsContact NE2-CB 3.3Å; Q53-V62 CarbonylContact C-O 3.57Å; Q53-V62 WeakPolarHBondContact CA-O 3.48Å
54G92.3Very high90.6Very high36 Ų3673.6 Ų73.637%0.37140%0.397SS..EExtended strand (participates in β ladder)trans-155.7-168.7174.100000112.5K61 V62G54-K61 CarbonylContact O-C 3.52Å; G54-K61 WeakPolarHBondContact O-CA 3.44Å; G54-K61 PolarHBondContact O-N 3.13Å; G54-K61 VanDerWaalsContact O-N 3.15Å; G54-V62 PolarHBondContact N-O 3.31Å; G54-V62 PolarHBondContact O-N 3.5Å
55T92.2Very high90.9Very high99 Ų9968.5 Ų68.561%0.60738%0.384SS*.EExtended strand (participates in β ladder)trans-104131.3170.7-60.40000107.8E59 E60T55-E59 WeakPolarHBondContact CA-O 3.32Å; T55-E59 WeakPolarHBondContact CG2-O 3.37Å; T55-E60 HydrophobicContact CG2-CG 4.41Å
56S90.1Very high91.1Very high72 Ų7269.2 Ų69.250%0.50339%0.389SS..EExtended strand (participates in β ladder)trans-125.7116.8176.5-179.30000108.7T58 E59S56-T58 PolarHBondContact O-N 3.2Å; S56-T58 VanDerWaalsContact O-N 3.13Å; S56-E59 PolarHBondContact N-O 2.82Å; S56-E59 PolarHBondContact O-N 3.42Å
57A90.5Very high91.3Very high98 Ų9871.3 Ų71.381%0.8140%0.401SS*.THydrogen-bonded Turntrans51-115.1-172.400000111.9
58T91.8Very high91.2Very high140 Ų14077.8 Ų77.886%0.85942%0.424SS*.THydrogen-bonded Turntrans-930.1-17853.50000113.9S56S56-T58 PolarHBondContact O-N 3.2Å; S56-T58 VanDerWaalsContact O-N 3.13Å
59E90.6Very high91.2Very high126 Ų12679.7 Ų79.759%0.58944%0.443SS*.EExtended strand (participates in β ladder)trans-104.7121-176.5-66-175.7-170.100111T55 S56 V62T55-E59 WeakPolarHBondContact CA-O 3.32Å; T55-E59 WeakPolarHBondContact CG2-O 3.37Å; S56-E59 PolarHBondContact N-O 2.82Å; S56-E59 PolarHBondContact O-N 3.42Å; E59-V62 HydrophobicContact CB-CG2 3.35Å; E59-V62 WeakPolarHBondContact O-CG2 3.22Å
60E89Confident90.9Very high155 Ų15580.3 Ų80.372%0.72445%0.446SS*.EExtended strand (participates in β ladder)trans-83.4151169.9-64.1-173.9173.600111T55 V62T55-E60 HydrophobicContact CG2-CG 4.41Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 2.81Å
61K87.5Confident90.3Very high142 Ų14281 Ų8162%0.61746%0.456SS*.EExtended strand (participates in β ladder)trans6233.1176.4-46.4-168177.1177.30114.7Q53 G54Q53-K61 HydrophobicContact CG-CB 4.29Å; Q53-K61 VanDerWaalsContact NE2-CB 3.3Å; G54-K61 CarbonylContact O-C 3.52Å; G54-K61 WeakPolarHBondContact O-CA 3.44Å; G54-K61 PolarHBondContact O-N 3.13Å; G54-K61 VanDerWaalsContact O-N 3.15Å
62V91Very high89.6Confident40 Ų4085.4 Ų85.424%0.24249%0.487CS..EExtended strand (participates in β ladder)trans-76144.3172.3-176.90000109.8Q53 G54 E59 E60Q53-V62 CarbonylContact C-O 3.57Å; Q53-V62 WeakPolarHBondContact CA-O 3.48Å; G54-V62 PolarHBondContact N-O 3.31Å; G54-V62 PolarHBondContact O-N 3.5Å; E59-V62 HydrophobicContact CB-CG2 3.35Å; E59-V62 WeakPolarHBondContact O-CG2 3.22Å; E60-V62 VanDerWaalsContact C-N 3.32Å; E60-V62 PolarHBondContact O-N 2.81Å
63I90.4Very high89.3Confident54 Ų5488.4 Ų88.428%0.27750%0.503SS..EExtended strand (participates in β ladder)trans-90.4122.1173.1-63.9151.9000108.8L14 V17 L18 V65L14-I63 HydrophobicContact CD1-CD1 4.41Å; L14-I63 HydrophobicContact CD2-CD1 3.71Å; L14-I63 HydrophobicContact CD2-CG2 4.5Å; V17-I63 HydrophobicContact CG1-CG1 4.26Å; V17-I63 HydrophobicContact CG1-CG2 4.32Å; L18-I63 HydrophobicContact CD2-CD1 4.01Å; L18-I63 HydrophobicContact CD2-CG1 4.03Å; L18-I63 HydrophobicContact CG-CD1 4.19Å; L18-I63 HydrophobicContact CG-CG1 4.48Å; I63-V65 HydrophobicContact CG2-CG2 3.89Å
64S92.2Very high89.2Confident65 Ų6587.9 Ų87.946%0.45550%0.502SS..EExtended strand (participates in β ladder)trans-94.8134.2167.5-176.80000109.5L51 I52L51-S64 WeakPolarHBondContact CA-O 3.37Å; I52-S64 PolarHBondContact N-O 3.5Å; I52-S64 PolarHBondContact O-N 2.88Å
65V92.3Very high89.3Confident61 Ų6188.2 Ų88.237%0.3750%0.497SS..EExtended strand (participates in β ladder)trans-125.1121.1177.5-174.90000108.7F9 H50 L51 I63 M67F9-V65 HydrophobicContact CE1-CG1 4.46Å; F9-V65 HydrophobicContact CZ-CG1 3.84Å; H50-V65 WeakPolarHBondContact O-CA 3.38Å; L51-V65 HydrophobicContact CD2-CG2 3.94Å; L51-V65 HydrophobicContact CG-CG1 4.26Å; L51-V65 HydrophobicContact CG-CG2 4.13Å; I63-V65 HydrophobicContact CG2-CG2 3.89Å; V65-M67 HydrophobicContact CG1-CG 3.78Å; V65-M67 HydrophobicContact CG1-SD 4.38Å
66T93.2Very high89.4Confident59 Ų5987.5 Ų87.536%0.36249%0.49SS..EExtended strand (participates in β ladder)trans-107.1123.1169.3-60.30000108.7C49 H50 R68C49-T66 CarbonylContact C-O 3.58Å; C49-T66 VanDerWaalsContact CA-O 3.31Å; C49-T66 WeakPolarHBondContact CA-O 3.36Å; H50-T66 PolarHBondContact N-O 3.06Å; H50-T66 PolarHBondContact O-N 2.93Å; T66-R68 HydrophobicContact CG2-CG 4.45Å
67M91.8Very high89.7Confident81 Ų8184.2 Ų84.240%0.39947%0.466SS..EExtended strand (participates in β ladder)trans-116.5128.5177.7-52.2179.987.200109.4F9 I27 L47 R48 C49 V65F9-M67 HydrophobicContact CE1-CE 4.12Å; F9-M67 HydrophobicContact CZ-CE 4.06Å; I27-M67 HydrophobicContact CD1-CE 3.6Å; L47-M67 HydrophobicContact CB-CE 4.38Å; L47-M67 HydrophobicContact CD1-CE 3.44Å; L47-M67 VanDerWaalsContact CD1-CE 3.44Å; R48-M67 CarbonylContact O-C 3.49Å; R48-M67 WeakPolarHBondContact O-CA 3.48Å; C49-M67 VanDerWaalsContact SG-CE 3.51Å; V65-M67 HydrophobicContact CG1-CG 3.78Å; V65-M67 HydrophobicContact CG1-SD 4.38Å
68R88.5Confident89.9Confident162 Ų16284.2 Ų84.261%0.61145%0.452SS*.EExtended strand (participates in β ladder)trans-122131176.7-64.9179.3-177152.72109.3L47 R48 T66 I70L47-R68 CarbonylContact C-O 3.55Å; L47-R68 WeakPolarHBondContact CA-O 3.36Å; R48-R68 PolarHBondContact N-O 3.44Å; R48-R68 PolarHBondContact O-N 3.2Å; T66-R68 HydrophobicContact CG2-CG 4.45Å; R68-I70 PolarHBondContact O-N 2.78Å
69V87.6Confident90.1Very high109 Ų10982 Ų8266%0.66144%0.439SS*.EExtended strand (participates in β ladder)trans-63.5130.3174.91800000109.1V45 L47V45-V69 HydrophobicContact CG1-CG1 4.27Å; L47-V69 HydrophobicContact CD2-CB 4.41Å; L47-V69 HydrophobicContact CD2-CG2 3.88Å
70I83.8Confident90.3Very high13 Ų1377.4 Ų77.47%0.06742%0.418CS..EExtended strand (participates in β ladder)trans-96.9125.1171.4-49.9168.7000107.7T26 R46 R48 R68 S72 E135T26-I70 HydrophobicContact CG2-CD1 3.45Å; T26-I70 VanDerWaalsContact CG2-CD1 3.45Å; R46-I70 HydrophobicContact CB-CB 4.21Å; R46-I70 HydrophobicContact CB-CD1 4.28Å; R46-I70 PolarHBondContact O-N 2.88Å; R48-I70 HydrophobicContact CB-CD1 3.97Å; R48-I70 HydrophobicContact CB-CG1 3.96Å; R68-I70 PolarHBondContact O-N 2.78Å; I70-S72 PolarHBondContact O-N 2.68Å; I70-E135 HydrophobicContact CG2-CB 4.06Å; I70-E135 WeakPolarHBondContact CG2-O 3.28Å
71P79.8Confident90.5Very high73 Ų7376 Ų7647%0.47442%0.415SS..PPolyproline II helixtrans-55.9135.3175.1-23.333.7000110.9Y136P71-Y136 HydrophobicContact CB-CE1 4.06Å
72S79.5Confident90.9Very high93 Ų9370.2 Ų70.265%0.6539%0.391SS*.  trans-79.3-34.1173.549.80000112.1I70I70-S72 PolarHBondContact O-N 2.68Å
73D86.8Confident91.1Very high129 Ų12970.3 Ų70.369%0.6939%0.388SS*.PPolyproline II helixtrans-88.3120.9-166.6-57.5-11.6000109.4
74I93Very high91.4Very high39 Ų3972.3 Ų72.320%0.241%0.405CS..PPolyproline II helixtrans-84.1119172.4-60.1168.4000106.7A112 A113 R116 Y136 L138I74-A112 HydrophobicContact CG1-CB 4.4Å; I74-A112 HydrophobicContact CG2-CB 4.2Å; I74-A113 HydrophobicContact CG2-CB 4.23Å; I74-R116 HydrophobicContact CG2-CB 4.03Å; I74-R116 HydrophobicContact CG2-CG 4.49Å; I74-Y136 HydrophobicContact CG1-CD1 3.64Å; I74-Y136 HydrophobicContact CG1-CE1 4.49Å; I74-Y136 HydrophobicContact CG1-CG 4.11Å; I74-L138 HydrophobicContact CD1-CD2 3.78Å
75P93Very high91.7Very high43 Ų4372.9 Ų72.928%0.27940%0.403SS..PPolyproline II helixtrans-64.8149.3177.327.3-32.9000110.5I77 M80 T109 A113P75-I77 PolarHBondContact O-N 2.74Å; P75-M80 HydrophobicContact CG-SD 4.01Å; P75-T109 HydrophobicContact CG-CG2 3.57Å; P75-A113 HydrophobicContact CG-CB 4.34Å; P75-A113 VanDerWaalsContact O-CB 3.26Å; P75-A113 WeakPolarHBondContact O-CB 3.39Å
76D94.8Very high92Very high84 Ų8470 Ų7045%0.44939%0.385SS..PPolyproline II helixtrans-68.2123.4168.7-179.5-0.1000109L78 T79D76-L78 PolarHBondContact O-N 3.42Å; D76-L78 VanDerWaalsContact O-N 3.12Å; D76-L78 PolarHBondContact OD1-N 3Å; D76-T79 HydrophobicContact CB-CG2 4.1Å; D76-T79 WeakPolarHBondContact O-CB 3.41Å; D76-T79 PolarHBondContact O-N 3.4Å; D76-T79 PolarHBondContact O-OG1 3.38Å
77I96.2Very high92.2Very high2 Ų268.2 Ų68.21%0.0137%0.374CS..G310 helixtrans-55.8-30.5179.8-165.1165.4000112.2P75 T79 M80 I82 L87 L110 A113 L114 Y117P75-I77 PolarHBondContact O-N 2.74Å; I77-T79 PolarHBondContact O-N 3.34Å; I77-M80 WeakPolarHBondContact O-CB 3.37Å; I77-M80 PolarHBondContact O-N 2.78Å; I77-I82 HydrophobicContact CG1-CG1 3.9Å; I77-L87 HydrophobicContact CD1-CD1 3.78Å; I77-L87 HydrophobicContact CG1-CD1 4.36Å; I77-L110 HydrophobicContact CD1-CD1 4.18Å; I77-L110 HydrophobicContact CG1-CD1 4.34Å; I77-A113 HydrophobicContact CB-CB 4.08Å; I77-L114 HydrophobicContact CD1-CB 3.87Å; I77-L114 HydrophobicContact CD1-CD1 3.98Å; I77-Y117 HydrophobicContact CG2-CD1 4.39Å; I77-Y117 HydrophobicContact CG2-CD2 3.34Å; I77-Y117 HydrophobicContact CG2-CE2 4.13Å; I77-Y117 HydrophobicContact CG2-CG 3.5Å; I77-Y117 VanDerWaalsContact CG2-CG 3.5Å
78L95.5Very high92.4Very high98 Ų9869.3 Ų69.351%0.51338%0.381SS..G310 helixtrans-66.9-19.7178.5-59.8-177.3000112.8D76 L87 Y117D76-L78 PolarHBondContact O-N 3.42Å; D76-L78 VanDerWaalsContact O-N 3.12Å; D76-L78 PolarHBondContact OD1-N 3Å; L78-L87 HydrophobicContact CD2-CD2 4.18Å; L78-Y117 HydrophobicContact CD1-CE2 4.13Å; L78-Y117 HydrophobicContact CD2-CE2 3.86Å; L78-Y117 HydrophobicContact CG-CD2 4.37Å; L78-Y117 HydrophobicContact CG-CE2 3.96Å
79T94.8Very high92.9Very high93 Ų9361.6 Ų61.657%0.57135%0.352SS*.G310 helixtrans-91-6.3175.469.40000113.2D76 I77 N81D76-T79 HydrophobicContact CB-CG2 4.1Å; D76-T79 WeakPolarHBondContact O-CB 3.41Å; D76-T79 PolarHBondContact O-N 3.4Å; D76-T79 PolarHBondContact O-OG1 3.38Å; I77-T79 PolarHBondContact O-N 3.34Å; T79-N81 VanDerWaalsContact C-N 3.28Å; T79-N81 PolarHBondContact O-N 3Å
80M94.8Very high93.4Very high31 Ų3156.4 Ų56.415%0.15332%0.321CS..SBendtrans-87.26.1-175-61.2-175.369.700113.8P75 I77 I82 L110 A113 R254P75-M80 HydrophobicContact CG-SD 4.01Å; I77-M80 WeakPolarHBondContact O-CB 3.37Å; I77-M80 PolarHBondContact O-N 2.78Å; M80-I82 VanDerWaalsContact C-N 3.33Å; M80-I82 HydrophobicContact CB-CD1 4.11Å; M80-I82 HydrophobicContact CB-CG1 4.11Å; M80-I82 PolarHBondContact O-N 3.03Å; M80-L110 HydrophobicContact CE-CB 4.1Å; M80-L110 HydrophobicContact CE-CD1 3.94Å; M80-L110 HydrophobicContact SD-CD1 4.07Å; M80-A113 HydrophobicContact SD-CB 3.59Å; M80-A113 VanDerWaalsContact SD-CB 3.59Å; M80-R254 PolarHBondContact O-NH1 2.98Å; M80-R254 PolarHBondContact O-NH2 3.5Å
81N93.7Very high94Very high124 Ų12457 Ų5766%0.66332%0.324SS*.  trans50.451.1-177.9-59.2-42000111.8T79 R254T79-N81 VanDerWaalsContact C-N 3.28Å; T79-N81 PolarHBondContact O-N 3Å; N81-R254 PolarHBondContact O-NH1 2.93Å
82I96.2Very high94.8Very high22 Ų2259.4 Ų59.411%0.11332%0.323CS..  trans-78.2136.6173.9-51.5-63.9000108.7I77 M80 L86 L87 L110 R254I77-I82 HydrophobicContact CG1-CG1 3.9Å; M80-I82 VanDerWaalsContact C-N 3.33Å; M80-I82 HydrophobicContact CB-CD1 4.11Å; M80-I82 HydrophobicContact CB-CG1 4.11Å; M80-I82 PolarHBondContact O-N 3.03Å; I82-L86 HydrophobicContact CG2-CB 4.3Å; I82-L86 HydrophobicContact CG2-CD2 4.17Å; I82-L86 HydrophobicContact CG2-CG 4.2Å; I82-L87 HydrophobicContact CG2-CB 3.96Å; I82-L110 HydrophobicContact CD1-CD1 3.6Å; I82-L110 HydrophobicContact CD1-CD2 4.49Å; I82-L110 HydrophobicContact CG1-CD1 4.33Å; I82-R254 VanDerWaalsContact CD1-NH2 3.29Å
83E96.2Very high95.5Very high41 Ų4162.8 Ų62.819%0.19233%0.327CS..  trans-61.5133.9175.2-62.786.4164.200110.4D85 L86 L87 Y256E83-D85 PolarHBondContact O-N 3.29Å; E83-L86 HydrophobicContact CB-CB 4.15Å; E83-L86 WeakPolarHBondContact O-CB 3.22Å; E83-L86 PolarHBondContact O-N 2.85Å; E83-L86 VanDerWaalsContact O-N 3.11Å; E83-L87 PolarHBondContact O-N 3.15Å; E83-Y256 HydrophobicContact CB-CE1 3.98Å; E83-Y256 WeakPolarHBondContact CB-OH 3.41Å; E83-Y256 VanDerWaalsContact CD-CE1 3.42Å; E83-Y256 HydrophobicContact CG-CE1 3.58Å
84P96.8Very high95.9Very high97 Ų9759.4 Ų59.463%0.6331%0.31SS*.Hα-helixtrans-57.3-42.2-171.8-2935.7000114.7L86 L87 D88P84-L86 VanDerWaalsContact C-N 3.34Å; P84-L86 PolarHBondContact O-N 2.79Å; P84-L87 PolarHBondContact O-N 3.04Å; P84-D88 VanDerWaalsContact O-CG 3.32Å; P84-D88 PolarHBondContact O-N 3.05Å
85D97.3Very high96.1Very high76 Ų7657.6 Ų57.641%0.40630%0.301SS..Hα-helixtrans-66.8-35.2178.464.1-41.3000112.4E83 A89 Y256E83-D85 PolarHBondContact O-N 3.29Å; D85-A89 WeakPolarHBondContact O-CB 3.45Å; D85-A89 PolarHBondContact O-N 2.99Å; D85-Y256 PolarHBondContact OD1-OH 2.72Å; D85-Y256 VanDerWaalsContact OD1-OH 3.11Å; D85-Y256 PolarHBondContact OD2-OH 2.77Å
86L98.1Very high96.4Very high0 Ų055.7 Ų55.70%029%0.289CS..Hα-helixtrans-67.7-44.6172.9-179.959.6000111.5I82 E83 P84 D88 A89 M90 F236 L238 Y256I82-L86 HydrophobicContact CG2-CB 4.3Å; I82-L86 HydrophobicContact CG2-CD2 4.17Å; I82-L86 HydrophobicContact CG2-CG 4.2Å; E83-L86 HydrophobicContact CB-CB 4.15Å; E83-L86 WeakPolarHBondContact O-CB 3.22Å; E83-L86 PolarHBondContact O-N 2.85Å; E83-L86 VanDerWaalsContact O-N 3.11Å; P84-L86 VanDerWaalsContact C-N 3.34Å; P84-L86 PolarHBondContact O-N 2.79Å; L86-D88 VanDerWaalsContact C-N 3.33Å; L86-D88 PolarHBondContact O-N 3.45Å; L86-A89 PolarHBondContact O-N 3.07Å; L86-M90 HydrophobicContact CD1-CE 3.85Å; L86-M90 HydrophobicContact CD2-CE 3.94Å; L86-M90 HydrophobicContact CG-CE 3.68Å; L86-M90 HydrophobicContact CG-SD 4.4Å; L86-M90 VanDerWaalsContact O-CG 3.31Å; L86-M90 WeakPolarHBondContact O-CG 3.43Å; L86-M90 PolarHBondContact O-N 3.15Å; L86-F236 HydrophobicContact CD1-CB 3.9Å; L86-F236 HydrophobicContact CD1-CD2 3.78Å; L86-F236 HydrophobicContact CD1-CG 3.97Å; L86-L238 HydrophobicContact CD1-CB 4.5Å; L86-L238 HydrophobicContact CD2-CB 4.44Å; L86-L238 HydrophobicContact CD2-CD1 4.14Å; L86-L238 HydrophobicContact CD2-CD2 4.24Å; L86-L238 HydrophobicContact CD2-CG 4.5Å; L86-Y256 HydrophobicContact CB-CD2 3.96Å; L86-Y256 HydrophobicContact CB-CE2 3.91Å; L86-Y256 HydrophobicContact CB-CG 4.49Å; L86-Y256 HydrophobicContact CD1-CD2 3.93Å; L86-Y256 HydrophobicContact CD1-CG 4.26Å; L86-Y256 HydrophobicContact CD2-CD1 4.11Å; L86-Y256 HydrophobicContact CD2-CD2 4.1Å; L86-Y256 HydrophobicContact CD2-CG 3.82Å; L86-Y256 HydrophobicContact CG-CD2 4.22Å; L86-Y256 HydrophobicContact CG-CG 4.42Å
87L97.8Very high96.6Very high23 Ų2351.7 Ų51.712%0.1227%0.267CS..Hα-helixtrans-61.3-42.9176.3-178.959.3000111.1I77 L78 I82 E83 P84 A89 M90 L91I77-L87 HydrophobicContact CD1-CD1 3.78Å; I77-L87 HydrophobicContact CG1-CD1 4.36Å; L78-L87 HydrophobicContact CD2-CD2 4.18Å; I82-L87 HydrophobicContact CG2-CB 3.96Å; E83-L87 PolarHBondContact O-N 3.15Å; P84-L87 PolarHBondContact O-N 3.04Å; L87-A89 VanDerWaalsContact C-N 3.31Å; L87-A89 PolarHBondContact O-N 3.31Å; L87-M90 WeakPolarHBondContact O-CB 3.46Å; L87-M90 PolarHBondContact O-N 3.1Å; L87-M90 VanDerWaalsContact O-N 3.1Å; L87-L91 HydrophobicContact CD1-CD1 4.4Å; L87-L91 HydrophobicContact CG-CD1 4.36Å; L87-L91 WeakPolarHBondContact O-CG 3.23Å; L87-L91 PolarHBondContact O-N 3.32Å
88D97.3Very high96.7Very high104 Ų10451.7 Ų51.756%0.55627%0.268SS*.Hα-helixtrans-60.9-40.2174.9-74.2-15.8000111.7P84 L86 M90 L91P84-D88 VanDerWaalsContact O-CG 3.32Å; P84-D88 PolarHBondContact O-N 3.05Å; L86-D88 VanDerWaalsContact C-N 3.33Å; L86-D88 PolarHBondContact O-N 3.45Å; D88-M90 VanDerWaalsContact C-N 3.31Å; D88-M90 PolarHBondContact O-N 2.78Å; D88-L91 PolarHBondContact O-N 2.89Å
89A98Very high96.8Very high0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-67.5-28.6175.100000113.2D85 L86 L87 L91 R92 F236 V258D85-A89 WeakPolarHBondContact O-CB 3.45Å; D85-A89 PolarHBondContact O-N 2.99Å; L86-A89 PolarHBondContact O-N 3.07Å; L87-A89 VanDerWaalsContact C-N 3.31Å; L87-A89 PolarHBondContact O-N 3.31Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 2.92Å; A89-R92 WeakPolarHBondContact O-CG 3.35Å; A89-F236 HydrophobicContact CB-CB 3.96Å; A89-F236 HydrophobicContact CB-CD1 4.27Å; A89-F236 HydrophobicContact CB-CG 4.47Å; A89-V258 HydrophobicContact CB-CB 4.48Å; A89-V258 HydrophobicContact CB-CG1 3.85Å; A89-V258 HydrophobicContact CB-CG2 3.86Å
90M97.9Very high97Very high0 Ų042.6 Ų42.60%022%0.216CC..Hα-helixtrans-74.3-13174.5-72.4174.4177.500113.8L86 L87 D88 L110 L114 F197 F236 L238L86-M90 HydrophobicContact CD1-CE 3.85Å; L86-M90 HydrophobicContact CD2-CE 3.94Å; L86-M90 HydrophobicContact CG-CE 3.68Å; L86-M90 HydrophobicContact CG-SD 4.4Å; L86-M90 VanDerWaalsContact O-CG 3.31Å; L86-M90 WeakPolarHBondContact O-CG 3.43Å; L86-M90 PolarHBondContact O-N 3.15Å; L87-M90 WeakPolarHBondContact O-CB 3.46Å; L87-M90 PolarHBondContact O-N 3.1Å; L87-M90 VanDerWaalsContact O-N 3.1Å; D88-M90 VanDerWaalsContact C-N 3.31Å; D88-M90 PolarHBondContact O-N 2.78Å; M90-L110 HydrophobicContact CE-CD2 4.15Å; M90-L114 HydrophobicContact CB-CD1 3.93Å; M90-L114 HydrophobicContact CB-CD2 3.89Å; M90-L114 HydrophobicContact CG-CD2 4.2Å; M90-L114 HydrophobicContact SD-CD2 4.32Å; M90-F197 VanDerWaalsContact O-CE1 3.28Å; M90-F197 WeakPolarHBondContact O-CE1 3.16Å; M90-F236 HydrophobicContact CB-CE1 4.16Å; M90-F236 HydrophobicContact CE-CD2 4.31Å; M90-F236 HydrophobicContact CE-CE2 3.83Å; M90-F236 HydrophobicContact CE-CZ 4.19Å; M90-F236 HydrophobicContact CG-CD1 4.04Å; M90-F236 HydrophobicContact CG-CD2 4.47Å; M90-F236 HydrophobicContact CG-CE1 3.56Å; M90-F236 HydrophobicContact CG-CE2 4.06Å; M90-F236 HydrophobicContact CG-CG 4.48Å; M90-F236 HydrophobicContact CG-CZ 3.58Å; M90-L238 HydrophobicContact CE-CD2 3.76Å
91L96.9Very high97.1Very high25 Ų2541.2 Ų41.213%0.13121%0.209CC..THydrogen-bonded Turntrans-107.610.5-177-63.9173.8000113.7L87 D88 A89 L114 Y117 I118 F122 R125L87-L91 HydrophobicContact CD1-CD1 4.4Å; L87-L91 HydrophobicContact CG-CD1 4.36Å; L87-L91 WeakPolarHBondContact O-CG 3.23Å; L87-L91 PolarHBondContact O-N 3.32Å; D88-L91 PolarHBondContact O-N 2.89Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 2.92Å; L91-L114 HydrophobicContact CD2-CD1 3.92Å; L91-Y117 HydrophobicContact CD1-CD1 4.45Å; L91-Y117 HydrophobicContact CD1-CE1 3.79Å; L91-Y117 HydrophobicContact CD2-CD1 4.01Å; L91-Y117 HydrophobicContact CD2-CE1 4.12Å; L91-I118 HydrophobicContact CD2-CD1 4.14Å; L91-I118 HydrophobicContact CD2-CG1 3.61Å; L91-F122 HydrophobicContact CD1-CE2 4.33Å; L91-F122 HydrophobicContact CD2-CE2 4.11Å; L91-R125 PolarHBondContact O-NH1 2.95Å
92R96.2Very high97Very high123 Ų12340 Ų4046%0.46420%0.2SC..  trans-58.6152.8179.2-66-72.7-179.1-179.10.1111.7A89 F197 Q235A89-R92 WeakPolarHBondContact O-CG 3.35Å; R92-F197 HydrophobicContact CB-CD2 4.42Å; R92-F197 HydrophobicContact CB-CE2 4.09Å; R92-F197 HydrophobicContact CB-CZ 4.22Å; R92-Q235 HydrophobicContact CB-CG 4.04Å; R92-Q235 HydrophobicContact CG-CB 4.2Å; R92-Q235 HydrophobicContact CG-CG 3.97Å
93K94Very high96.7Very high165 Ų16544.6 Ų44.672%0.71723%0.229SC*.SBendtrans-71.4-38-178.6-172.7-178.3177179.50112.4
94T95.9Very high96.3Very high57 Ų5745.2 Ų45.235%0.3525%0.247SC..SBendtrans-146.8159.4-171.465.80000110.6G195T94-G195 VanDerWaalsContact CG2-O 3.24Å; T94-G195 WeakPolarHBondContact CG2-O 3.48Å
95G97.5Very high96.2Very high1 Ų140.9 Ų40.91%0.0122%0.219CC..EExtended strand (participates in β ladder)trans116.1-159.5175.600000113.5H196 F197 C198 L233G95-H196 PolarHBondContact N-O 2.95Å; G95-F197 WeakPolarHBondContact O-CA 3.33Å; G95-F197 WeakPolarHBondContact O-CD2 3.43Å; G95-C198 PolarHBondContact O-N 2.88Å; G95-L233 CarbonylContact C-O 3.55Å; G95-L233 VanDerWaalsContact CA-O 3.22Å; G95-L233 WeakPolarHBondContact CA-O 3.42Å
96L98.4Very high95.9Very high3 Ų338 Ų382%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-121136-177.8-57.3176.8000111F98 A188 V189 C198 L233 V234 Q235L96-F98 HydrophobicContact CB-CE2 3.78Å; L96-F98 HydrophobicContact CB-CZ 4.06Å; L96-F98 HydrophobicContact CD1-CE2 4.47Å; L96-F98 HydrophobicContact CD1-CZ 4.18Å; L96-A188 HydrophobicContact CD2-CB 4.34Å; L96-A188 WeakPolarHBondContact CD2-O 3.22Å; L96-V189 HydrophobicContact CD1-CG2 4.04Å; L96-C198 CarbonylContact C-O 3.57Å; L96-C198 WeakPolarHBondContact CA-O 3.49Å; L96-C198 HydrophobicContact CD2-CB 3.73Å; L96-L233 HydrophobicContact CB-CB 4.49Å; L96-L233 HydrophobicContact CD1-CB 4.01Å; L96-L233 HydrophobicContact CD1-CD1 4.18Å; L96-L233 HydrophobicContact CG-CB 3.82Å; L96-L233 HydrophobicContact CG-CD1 4.34Å; L96-L233 PolarHBondContact N-O 2.96Å; L96-V234 HydrophobicContact CB-CG2 4.47Å; L96-V234 CarbonylContact O-C 3.56Å; L96-V234 WeakPolarHBondContact O-CA 3.49Å; L96-Q235 PolarHBondContact O-N 3.09Å
97G98.4Very high95.8Very high0 Ų038.7 Ų38.70%021%0.209CC..EExtended strand (participates in β ladder)trans-126.2141.6170.800000110.7C198 I199 G200 F236G97-C198 PolarHBondContact N-O 2.71Å; G97-I199 CarbonylContact O-C 3.53Å; G97-I199 WeakPolarHBondContact O-CA 3.21Å; G97-G200 PolarHBondContact O-N 3.26Å; G97-F236 VanDerWaalsContact CA-CE1 3.43Å
98F98.6Very high95.6Very high3 Ų339.9 Ų39.91%0.01322%0.219CC..EExtended strand (participates in β ladder)trans-123.9119.8-178.5-60.4-87.7000111.3L96 I179 G200 M202 T210 L214 V234 F236 I237 L238L96-F98 HydrophobicContact CB-CE2 3.78Å; L96-F98 HydrophobicContact CB-CZ 4.06Å; L96-F98 HydrophobicContact CD1-CE2 4.47Å; L96-F98 HydrophobicContact CD1-CZ 4.18Å; F98-I179 HydrophobicContact CD1-CD1 4.38Å; F98-I179 HydrophobicContact CE1-CD1 3.75Å; F98-G200 WeakPolarHBondContact CA-O 3.4Å; F98-M202 HydrophobicContact CD1-CG 4.27Å; F98-M202 HydrophobicContact CD1-SD 3.91Å; F98-M202 HydrophobicContact CE1-SD 4.07Å; F98-T210 HydrophobicContact CB-CG2 4.21Å; F98-T210 HydrophobicContact CG-CG2 4.35Å; F98-L214 HydrophobicContact CE1-CD1 4.44Å; F98-L214 HydrophobicContact CE1-CD2 3.97Å; F98-L214 HydrophobicContact CE2-CD2 4.04Å; F98-L214 HydrophobicContact CZ-CD2 3.43Å; F98-L214 VanDerWaalsContact CZ-CD2 3.43Å; F98-V234 HydrophobicContact CD2-CG1 4.34Å; F98-V234 HydrophobicContact CE2-CG1 4.33Å; F98-V234 HydrophobicContact CE2-CG2 3.89Å; F98-F236 PolarHBondContact N-O 2.77Å; F98-F236 VanDerWaalsContact N-O 3.11Å; F98-F236 WeakPolarHBondContact O-CE2 3.29Å; F98-I237 HydrophobicContact CB-CG1 4.27Å; F98-I237 HydrophobicContact CB-CG2 4.3Å; F98-I237 HydrophobicContact CD2-CG1 3.95Å; F98-L238 PolarHBondContact O-N 2.88Å
99I98.3Very high95.4Very high0 Ų036.6 Ų36.60%020%0.203CC..EExtended strand (participates in β ladder)trans-104.2108.9171.1-59.5169.4000107.4K107 L110 A111 I199 G200 T201 F236 L238I99-K107 HydrophobicContact CG2-CB 3.88Å; I99-K107 HydrophobicContact CG2-CG 4.17Å; I99-K107 WeakPolarHBondContact O-CD 3.36Å; I99-L110 HydrophobicContact CD1-CD2 4.34Å; I99-L110 HydrophobicContact CD1-CG 4.23Å; I99-L110 HydrophobicContact CG2-CD2 4.09Å; I99-A111 HydrophobicContact CD1-CB 4.06Å; I99-I199 HydrophobicContact CD1-CG2 3.86Å; I99-I199 HydrophobicContact CG1-CG2 4.24Å; I99-G200 PolarHBondContact N-O 2.9Å; I99-T201 WeakPolarHBondContact O-CA 3.4Å; I99-T201 WeakPolarHBondContact O-CB 3.28Å; I99-F236 HydrophobicContact CG1-CE2 4.05Å; I99-F236 HydrophobicContact CG1-CZ 4.29Å; I99-L238 HydrophobicContact CG2-CD2 4.42Å
100C98.4Very high95.3Very high0 Ų036.6 Ų36.60%020%0.203CC..EExtended strand (participates in β ladder)trans-120.1168.7-166.3-62.20000112.2M202 T204 L238 V239 Q240C100-M202 WeakPolarHBondContact CA-O 3.28Å; C100-M202 WeakPolarHBondContact CB-O 3.45Å; C100-T204 WeakPolarHBondContact CB-OG1 3.28Å; C100-L238 WeakPolarHBondContact CA-O 3.45Å; C100-L238 VanDerWaalsContact CB-O 3.22Å; C100-L238 WeakPolarHBondContact CB-O 3.4Å; C100-L238 PolarHBondContact N-O 3.17Å; C100-V239 HydrophobicContact CB-CB 4.46Å; C100-V239 HydrophobicContact CB-CG2 3.78Å; C100-V239 WeakPolarHBondContact O-CA 3.39Å; C100-Q240 PolarHBondContact O-N 3.29Å
101G96.7Very high95.3Very high1 Ų137 Ų371%0.0121%0.206CC..  trans132.8172.9-178.700000112K107 M202 H203 T204G101-K107 PolarHBondContact O-NZ 3.1Å; G101-M202 PolarHBondContact N-O 2.76Å; G101-H203 PolarHBondContact O-CD2 3.07Å; G101-H203 VanDerWaalsContact O-CD2 3.23Å; G101-T204 WeakPolarHBondContact CA-O 3.5Å; G101-T204 PolarHBondContact N-O 3.48Å
102E92.5Very high95.3Very high100 Ų10036 Ų3647%0.46720%0.202SC..SBendtrans-72.4172.8-178.1-59.6-176.8178.600112.5G104 S105 K107 K205E102-G104 PolarHBondContact O-N 3.08Å; E102-S105 WeakPolarHBondContact O-CB 3.26Å; E102-S105 PolarHBondContact O-N 3.5Å; E102-S105 PolarHBondContact O-OG 2.97Å; E102-K107 PolarHBondContact O-NZ 2.83Å; E102-K205 VanDerWaalsContact OE1-CE 3.23Å; E102-K205 WeakPolarHBondContact OE1-CE 3.43Å; E102-K205 IonicContact OE1-NZ 2.69Å; E102-K205 PolarHBondContact OE1-NZ 2.75Å
103T89.3Confident95.3Very high117 Ų11730.2 Ų30.272%0.71818%0.181SC*.THydrogen-bonded Turntrans-59.7134.6173.6-59.20000110.3S105T103-S105 VanDerWaalsContact C-N 3.34Å
104G88.3Confident95.5Very high55 Ų5522.4 Ų22.457%0.56715%0.146SC*.THydrogen-bonded Turntrans82.16.9-179.800000115E102 G106 L242E102-G104 PolarHBondContact O-N 3.08Å; G104-G106 PolarHBondContact O-N 3.06Å; G104-L242 WeakPolarHBondContact O-CD1 3.31Å
105S93.6Very high95.5Very high6 Ų620.3 Ų20.34%0.04213%0.132CC..SBendtrans-791.5175.370.30000115.2E102 T103 K107 Q240E102-S105 WeakPolarHBondContact O-CB 3.26Å; E102-S105 PolarHBondContact O-N 3.5Å; E102-S105 PolarHBondContact O-OG 2.97Å; T103-S105 VanDerWaalsContact C-N 3.34Å; S105-K107 VanDerWaalsContact OG-CG 3.28Å; S105-K107 WeakPolarHBondContact OG-CG 3.38Å; S105-Q240 WeakPolarHBondContact CB-O 3.32Å; S105-Q240 PolarHBondContact O-NE2 2.68Å; S105-Q240 PolarHBondContact OG-O 3.33Å
106G92.7Very high95.4Very high14 Ų1423 Ų2314%0.14414%0.142CC..SBendtrans84.417.8178.900000115.4G104 T109 L110G104-G106 PolarHBondContact O-N 3.06Å; G106-T109 WeakPolarHBondContact O-CB 3.33Å; G106-T109 PolarHBondContact O-N 3.09Å; G106-L110 PolarHBondContact O-N 3.37Å
107K94.9Very high95.3Very high15 Ų1524.7 Ų24.77%0.06515%0.148CC..Hα-helixtrans-55.9-53.1177.1-52.5-172.9-65.7-83.10112.6I99 G101 E102 S105 T109 L110 A111 H203I99-K107 HydrophobicContact CG2-CB 3.88Å; I99-K107 HydrophobicContact CG2-CG 4.17Å; I99-K107 WeakPolarHBondContact O-CD 3.36Å; G101-K107 PolarHBondContact O-NZ 3.1Å; E102-K107 PolarHBondContact O-NZ 2.83Å; S105-K107 VanDerWaalsContact OG-CG 3.28Å; S105-K107 WeakPolarHBondContact OG-CG 3.38Å; K107-T109 VanDerWaalsContact C-N 3.27Å; K107-T109 PolarHBondContact O-N 3.43Å; K107-L110 PolarHBondContact O-N 2.94Å; K107-A111 WeakPolarHBondContact O-CB 3.49Å; K107-A111 PolarHBondContact O-N 3.5Å; K107-H203 PolarHBondContact NZ-CD2 2.75Å; K107-H203 VanDerWaalsContact NZ-CD2 3.3Å; K107-H203 PolarHBondContact NZ-NE2 2.69Å
108S92.9Very high95.2Very high48 Ų4824.7 Ų24.734%0.33615%0.148SC..Hα-helixtrans-60.7-39.4179.5-39.80000111.6A111 A112 E135S108-A111 PolarHBondContact O-N 3.25Å; S108-A112 VanDerWaalsContact O-CB 3.28Å; S108-A112 WeakPolarHBondContact O-CB 3.41Å; S108-A112 PolarHBondContact O-N 3.26Å; S108-E135 WeakPolarHBondContact CB-OE2 3.49Å; S108-E135 PolarHBondContact OG-OE2 2.93Å
109T94.4Very high95Very high36 Ų3624.8 Ų24.822%0.22115%0.149CC..Hα-helixtrans-61.9-47.7176.4-51.20000111.4P75 G106 K107 A112 A113 Y136P75-T109 HydrophobicContact CG-CG2 3.57Å; G106-T109 WeakPolarHBondContact O-CB 3.33Å; G106-T109 PolarHBondContact O-N 3.09Å; K107-T109 VanDerWaalsContact C-N 3.27Å; K107-T109 PolarHBondContact O-N 3.43Å; T109-A112 PolarHBondContact O-N 2.95Å; T109-A113 WeakPolarHBondContact O-CB 3.37Å; T109-A113 PolarHBondContact O-N 3.43Å; T109-Y136 PolarHBondContact OG1-OH 2.84Å
110L96.6Very high94.8Very high0 Ų028.5 Ų28.50%017%0.172CC..Hα-helixtrans-64.4-43.7177.6177.559000111.8I77 M80 I82 M90 I99 G106 K107 A113 L114 L238I77-L110 HydrophobicContact CD1-CD1 4.18Å; I77-L110 HydrophobicContact CG1-CD1 4.34Å; M80-L110 HydrophobicContact CE-CB 4.1Å; M80-L110 HydrophobicContact CE-CD1 3.94Å; M80-L110 HydrophobicContact SD-CD1 4.07Å; I82-L110 HydrophobicContact CD1-CD1 3.6Å; I82-L110 HydrophobicContact CD1-CD2 4.49Å; I82-L110 HydrophobicContact CG1-CD1 4.33Å; M90-L110 HydrophobicContact CE-CD2 4.15Å; I99-L110 HydrophobicContact CD1-CD2 4.34Å; I99-L110 HydrophobicContact CD1-CG 4.23Å; I99-L110 HydrophobicContact CG2-CD2 4.09Å; G106-L110 PolarHBondContact O-N 3.37Å; K107-L110 PolarHBondContact O-N 2.94Å; L110-A113 PolarHBondContact O-N 3.19Å; L110-L114 WeakPolarHBondContact O-CB 3.28Å; L110-L114 PolarHBondContact O-N 3.48Å; L110-L238 HydrophobicContact CD2-CD2 3.29Å
111A97.2Very high94.6Very high7 Ų733 Ų336%0.05819%0.192CC..Hα-helixtrans-60.9-46.2176.800000111.3I99 K107 S108 A113 L114 Y115I99-A111 HydrophobicContact CD1-CB 4.06Å; K107-A111 WeakPolarHBondContact O-CB 3.49Å; K107-A111 PolarHBondContact O-N 3.5Å; S108-A111 PolarHBondContact O-N 3.25Å; A111-A113 PolarHBondContact O-N 3.46Å; A111-L114 WeakPolarHBondContact O-CB 3.45Å; A111-L114 PolarHBondContact O-N 3.46Å; A111-Y115 HydrophobicContact CB-CE2 3.88Å; A111-Y115 WeakPolarHBondContact O-CD2 3.41Å; A111-Y115 WeakPolarHBondContact O-CE2 3.27Å; A111-Y115 PolarHBondContact O-N 3.35Å
112A96.1Very high94.5Very high6 Ų635.9 Ų35.95%0.0521%0.205CC..Hα-helixtrans-61.6-43.3176.800000112.3I74 S108 T109 L114 Y115 R116 Y136 L138I74-A112 HydrophobicContact CG1-CB 4.4Å; I74-A112 HydrophobicContact CG2-CB 4.2Å; S108-A112 VanDerWaalsContact O-CB 3.28Å; S108-A112 WeakPolarHBondContact O-CB 3.41Å; S108-A112 PolarHBondContact O-N 3.26Å; T109-A112 PolarHBondContact O-N 2.95Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.47Å; A112-Y115 PolarHBondContact O-N 3.36Å; A112-R116 WeakPolarHBondContact O-CB 3.5Å; A112-R116 PolarHBondContact O-N 3.38Å; A112-Y136 HydrophobicContact CB-CD1 4.45Å; A112-Y136 HydrophobicContact CB-CD2 3.59Å; A112-Y136 HydrophobicContact CB-CE2 4.33Å; A112-Y136 HydrophobicContact CB-CG 3.66Å; A112-L138 HydrophobicContact CB-CD2 4.1Å
113A96.8Very high94.6Very high1 Ų133.8 Ų33.81%0.00820%0.2CC..Hα-helixtrans-60.4-43.1175.400000111.8I74 P75 I77 M80 T109 L110 A111 R116 Y117I74-A113 HydrophobicContact CG2-CB 4.23Å; P75-A113 HydrophobicContact CG-CB 4.34Å; P75-A113 VanDerWaalsContact O-CB 3.26Å; P75-A113 WeakPolarHBondContact O-CB 3.39Å; I77-A113 HydrophobicContact CB-CB 4.08Å; M80-A113 HydrophobicContact SD-CB 3.59Å; M80-A113 VanDerWaalsContact SD-CB 3.59Å; T109-A113 WeakPolarHBondContact O-CB 3.37Å; T109-A113 PolarHBondContact O-N 3.43Å; L110-A113 PolarHBondContact O-N 3.19Å; A111-A113 PolarHBondContact O-N 3.46Å; A113-R116 PolarHBondContact O-N 2.96Å; A113-Y117 WeakPolarHBondContact O-CB 3.33Å; A113-Y117 PolarHBondContact O-N 3.22Å
114L97.4Very high94.9Very high0 Ų033.5 Ų33.50%019%0.194CC..Hα-helixtrans-62.3-47.8175.4177.159.8000111.8I77 M90 L91 L110 A111 A112 R116 Y117 I118 I199I77-L114 HydrophobicContact CD1-CB 3.87Å; I77-L114 HydrophobicContact CD1-CD1 3.98Å; M90-L114 HydrophobicContact CB-CD1 3.93Å; M90-L114 HydrophobicContact CB-CD2 3.89Å; M90-L114 HydrophobicContact CG-CD2 4.2Å; M90-L114 HydrophobicContact SD-CD2 4.32Å; L91-L114 HydrophobicContact CD2-CD1 3.92Å; L110-L114 WeakPolarHBondContact O-CB 3.28Å; L110-L114 PolarHBondContact O-N 3.48Å; A111-L114 WeakPolarHBondContact O-CB 3.45Å; A111-L114 PolarHBondContact O-N 3.46Å; A112-L114 VanDerWaalsContact C-N 3.34Å; A112-L114 PolarHBondContact O-N 3.47Å; L114-R116 VanDerWaalsContact C-N 3.35Å; L114-R116 PolarHBondContact O-N 3.19Å; L114-Y117 WeakPolarHBondContact O-CB 3.28Å; L114-Y117 PolarHBondContact O-N 3.15Å; L114-I118 HydrophobicContact CD1-CD1 3.99Å; L114-I118 HydrophobicContact CD1-CG1 4.27Å; L114-I118 HydrophobicContact CG-CD1 3.99Å; L114-I118 WeakPolarHBondContact O-CG1 3.3Å; L114-I118 PolarHBondContact O-N 3.3Å; L114-I199 HydrophobicContact CD2-CD1 3.6Å
115Y96.9Very high95.2Very high13 Ų1333.2 Ų33.25%0.05118%0.176CC..Hα-helixtrans-63.2-41.1179.4-57.4-34.9000112.1A111 A112 I118 Q119 T127 T129 L138 I173 G175 I199A111-Y115 HydrophobicContact CB-CE2 3.88Å; A111-Y115 WeakPolarHBondContact O-CD2 3.41Å; A111-Y115 WeakPolarHBondContact O-CE2 3.27Å; A111-Y115 PolarHBondContact O-N 3.35Å; A112-Y115 PolarHBondContact O-N 3.36Å; Y115-I118 PolarHBondContact O-N 2.94Å; Y115-Q119 VanDerWaalsContact O-CD 3.28Å; Y115-Q119 VanDerWaalsContact O-CG 3.26Å; Y115-Q119 WeakPolarHBondContact O-CG 3.3Å; Y115-Q119 PolarHBondContact O-N 3.21Å; Y115-Q119 PolarHBondContact O-NE2 3.28Å; Y115-T127 HydrophobicContact CD1-CG2 4.2Å; Y115-T127 HydrophobicContact CG-CG2 4.22Å; Y115-T129 HydrophobicContact CD2-CG2 3.87Å; Y115-T129 HydrophobicContact CE2-CG2 3.69Å; Y115-L138 HydrophobicContact CD2-CD1 3.72Å; Y115-L138 HydrophobicContact CG-CD1 4.21Å; Y115-I173 HydrophobicContact CD1-CG2 4.12Å; Y115-I173 HydrophobicContact CE1-CG2 3.94Å; Y115-G175 WeakPolarHBondContact OH-CA 3.31Å; Y115-I199 HydrophobicContact CE1-CD1 3.88Å
116R95.8Very high95.3Very high57 Ų5736.3 Ų36.322%0.21519%0.189CC..Hα-helixtrans-63.7-42.7174.5-178.259-105.7168.9-16.8111.6I74 A112 A113 L114 I118 Q119 T120 D143I74-R116 HydrophobicContact CG2-CB 4.03Å; I74-R116 HydrophobicContact CG2-CG 4.49Å; A112-R116 WeakPolarHBondContact O-CB 3.5Å; A112-R116 PolarHBondContact O-N 3.38Å; A113-R116 PolarHBondContact O-N 2.96Å; L114-R116 VanDerWaalsContact C-N 3.35Å; L114-R116 PolarHBondContact O-N 3.19Å; R116-I118 VanDerWaalsContact C-N 3.33Å; R116-I118 PolarHBondContact O-N 3.34Å; R116-Q119 PolarHBondContact O-N 3.18Å; R116-T120 PolarHBondContact NE-OG1 2.9Å; R116-T120 PolarHBondContact NH2-OG1 3.05Å; R116-T120 PolarHBondContact O-N 3.31Å; R116-T120 PolarHBondContact O-OG1 3.48Å; R116-T120 VanDerWaalsContact O-OG1 3.1Å; R116-D143 IonicContact CZ-OD1 2.75Å; R116-D143 IonicContact CZ-OD2 2.7Å; R116-D143 VanDerWaalsContact NH1-CG 3.28Å; R116-D143 IonicContact NH1-OD1 3.2Å; R116-D143 PolarHBondContact NH1-OD1 2.84Å; R116-D143 IonicContact NH1-OD2 2.72Å; R116-D143 PolarHBondContact NH1-OD2 3.49Å; R116-D143 IonicContact NH2-OD1 2.96Å; R116-D143 PolarHBondContact NH2-OD1 2.89Å; R116-D143 IonicContact NH2-OD2 3.3Å
117Y96Very high95.5Very high39 Ų3935.8 Ų35.815%0.15318%0.183CC..Hα-helixtrans-59.5-45.3175.3-179.6-90.6000111.5I77 L78 L91 A113 L114 T120 H121 F122I77-Y117 HydrophobicContact CG2-CD1 4.39Å; I77-Y117 HydrophobicContact CG2-CD2 3.34Å; I77-Y117 HydrophobicContact CG2-CE2 4.13Å; I77-Y117 HydrophobicContact CG2-CG 3.5Å; I77-Y117 VanDerWaalsContact CG2-CG 3.5Å; L78-Y117 HydrophobicContact CD1-CE2 4.13Å; L78-Y117 HydrophobicContact CD2-CE2 3.86Å; L78-Y117 HydrophobicContact CG-CD2 4.37Å; L78-Y117 HydrophobicContact CG-CE2 3.96Å; L91-Y117 HydrophobicContact CD1-CD1 4.45Å; L91-Y117 HydrophobicContact CD1-CE1 3.79Å; L91-Y117 HydrophobicContact CD2-CD1 4.01Å; L91-Y117 HydrophobicContact CD2-CE1 4.12Å; A113-Y117 WeakPolarHBondContact O-CB 3.33Å; A113-Y117 PolarHBondContact O-N 3.22Å; L114-Y117 WeakPolarHBondContact O-CB 3.28Å; L114-Y117 PolarHBondContact O-N 3.15Å; Y117-T120 PolarHBondContact O-N 2.98Å; Y117-H121 AromaticContact CD2-CE1 3.43Å; Y117-H121 VanDerWaalsContact CD2-CE1 3.43Å; Y117-H121 WeakPolarHBondContact CD2-CE1 3.44Å; Y117-H121 AromaticContact CD2-ND1 3.4Å; Y117-H121 WeakPolarHBondContact CD2-ND1 3.34Å; Y117-H121 HydrophobicContact CE1-CB 4.37Å; Y117-H121 AromaticContact CE1-ND1 4Å; Y117-H121 AromaticContact CE2-CE1 3.21Å; Y117-H121 WeakPolarHBondContact CE2-CE1 3.36Å; Y117-H121 AromaticContact CE2-ND1 3.35Å; Y117-H121 VanDerWaalsContact CE2-ND1 3.35Å; Y117-H121 WeakPolarHBondContact CE2-ND1 3.47Å; Y117-H121 AromaticContact CE2-NE2 3.8Å; Y117-H121 AromaticContact CG-ND1 3.77Å; Y117-H121 AromaticContact CZ-CE1 3.88Å; Y117-H121 AromaticContact CZ-CG 3.89Å; Y117-H121 AromaticContact CZ-ND1 3.66Å; Y117-H121 PolarHBondContact O-N 3.3Å; Y117-H121 PolarHBondContact O-ND1 3.14Å; Y117-F122 HydrophobicContact CE1-CE2 4.26Å
118I95.5Very high95.7Very high0 Ų035.1 Ų35.10%018%0.18CC..Hα-helixtrans-60.5-47.7176.7-69.4167000110.9L91 L114 Y115 R116 T120 H121 F122 R125 I173L91-I118 HydrophobicContact CD2-CD1 4.14Å; L91-I118 HydrophobicContact CD2-CG1 3.61Å; L114-I118 HydrophobicContact CD1-CD1 3.99Å; L114-I118 HydrophobicContact CD1-CG1 4.27Å; L114-I118 HydrophobicContact CG-CD1 3.99Å; L114-I118 WeakPolarHBondContact O-CG1 3.3Å; L114-I118 PolarHBondContact O-N 3.3Å; Y115-I118 PolarHBondContact O-N 2.94Å; R116-I118 VanDerWaalsContact C-N 3.33Å; R116-I118 PolarHBondContact O-N 3.34Å; I118-T120 VanDerWaalsContact C-N 3.28Å; I118-T120 PolarHBondContact O-N 3.48Å; I118-H121 PolarHBondContact O-N 3.38Å; I118-F122 HydrophobicContact CG2-CB 4.44Å; I118-F122 HydrophobicContact CG2-CD2 4.5Å; I118-F122 CarbonylContact O-C 3.55Å; I118-F122 WeakPolarHBondContact O-CA 3.39Å; I118-F122 WeakPolarHBondContact O-CB 3.16Å; I118-F122 PolarHBondContact O-N 2.94Å; I118-R125 HydrophobicContact CG2-CB 3.98Å; I118-I173 HydrophobicContact CD1-CD1 4.12Å; I118-I173 HydrophobicContact CD1-CG1 4.1Å; I118-I173 HydrophobicContact CG2-CG1 4.26Å
119Q93.9Very high95.9Very high6 Ų632.9 Ų32.93%0.02816%0.164CC..Hα-helixtrans-58.4-40.1178.1-73.3154.320.800112.5Y115 R116 P123 P147Y115-Q119 VanDerWaalsContact O-CD 3.28Å; Y115-Q119 VanDerWaalsContact O-CG 3.26Å; Y115-Q119 WeakPolarHBondContact O-CG 3.3Å; Y115-Q119 PolarHBondContact O-N 3.21Å; Y115-Q119 PolarHBondContact O-NE2 3.28Å; R116-Q119 PolarHBondContact O-N 3.18Å; Q119-P123 WeakPolarHBondContact O-CA 3.43Å; Q119-P147 VanDerWaalsContact NE2-CB 3.28Å
120T94Very high96Very high77 Ų7731.4 Ų31.447%0.47215%0.154SC..Hα-helixtrans-71.8-43180-60.40000112.5R116 Y117 I118R116-T120 PolarHBondContact NE-OG1 2.9Å; R116-T120 PolarHBondContact NH2-OG1 3.05Å; R116-T120 PolarHBondContact O-N 3.31Å; R116-T120 PolarHBondContact O-OG1 3.48Å; R116-T120 VanDerWaalsContact O-OG1 3.1Å; Y117-T120 PolarHBondContact O-N 2.98Å; I118-T120 VanDerWaalsContact C-N 3.28Å; I118-T120 PolarHBondContact O-N 3.48Å
121H95.1Very high96Very high94 Ų9432.7 Ų32.744%0.43516%0.16SC..Hα-helixtrans-98.6-20.5-170.1-63.986.1000114.2Y117 I118Y117-H121 AromaticContact CD2-CE1 3.43Å; Y117-H121 VanDerWaalsContact CD2-CE1 3.43Å; Y117-H121 WeakPolarHBondContact CD2-CE1 3.44Å; Y117-H121 AromaticContact CD2-ND1 3.4Å; Y117-H121 WeakPolarHBondContact CD2-ND1 3.34Å; Y117-H121 HydrophobicContact CE1-CB 4.37Å; Y117-H121 AromaticContact CE1-ND1 4Å; Y117-H121 AromaticContact CE2-CE1 3.21Å; Y117-H121 WeakPolarHBondContact CE2-CE1 3.36Å; Y117-H121 AromaticContact CE2-ND1 3.35Å; Y117-H121 VanDerWaalsContact CE2-ND1 3.35Å; Y117-H121 WeakPolarHBondContact CE2-ND1 3.47Å; Y117-H121 AromaticContact CE2-NE2 3.8Å; Y117-H121 AromaticContact CG-ND1 3.77Å; Y117-H121 AromaticContact CZ-CE1 3.88Å; Y117-H121 AromaticContact CZ-CG 3.89Å; Y117-H121 AromaticContact CZ-ND1 3.66Å; Y117-H121 PolarHBondContact O-N 3.3Å; Y117-H121 PolarHBondContact O-ND1 3.14Å; I118-H121 PolarHBondContact O-N 3.38Å
122F95.6Very high95.6Very high62 Ų6236 Ų3627%0.27218%0.177SC..  trans-13365.1178.4-49.6-78.9000109.2L91 Y117 I118 D124 R125L91-F122 HydrophobicContact CD1-CE2 4.33Å; L91-F122 HydrophobicContact CD2-CE2 4.11Å; Y117-F122 HydrophobicContact CE1-CE2 4.26Å; I118-F122 HydrophobicContact CG2-CB 4.44Å; I118-F122 HydrophobicContact CG2-CD2 4.5Å; I118-F122 CarbonylContact O-C 3.55Å; I118-F122 WeakPolarHBondContact O-CA 3.39Å; I118-F122 WeakPolarHBondContact O-CB 3.16Å; I118-F122 PolarHBondContact O-N 2.94Å; F122-D124 PolarHBondContact O-N 3.46Å; F122-R125 HydrophobicContact CB-CB 4.29Å; F122-R125 HydrophobicContact CB-CG 3.78Å; F122-R125 WeakPolarHBondContact O-CB 3.45Å; F122-R125 PolarHBondContact O-N 2.86Å
123P94.3Very high95.2Very high57 Ų5735.9 Ų35.937%0.3718%0.176SC..THydrogen-bonded Turntrans-64.8-13.7-169.727.4-36.9000114.2Q119 L144Q119-P123 WeakPolarHBondContact O-CA 3.43Å; P123-L144 HydrophobicContact CB-CB 4.06Å; P123-L144 HydrophobicContact CB-CD2 4.45Å
124D94.6Very high94.8Very high110 Ų11036 Ų3659%0.58818%0.177SC*.THydrogen-bonded Turntrans-83-9.3173.464.1-33.6000113.5F122 K126 L145F122-D124 PolarHBondContact O-N 3.46Å; D124-K126 PolarHBondContact O-N 3.07Å; D124-L145 VanDerWaalsContact O-CD1 3.26Å; D124-L145 WeakPolarHBondContact O-CD1 3.29Å
125R95.1Very high94.2Very high50 Ų5038.1 Ų38.119%0.18919%0.186CC..SBendtrans-83.5113.2176.2-67.9-172.7-172-1704.8111.8L91 I118 F122 T127 D172L91-R125 PolarHBondContact O-NH1 2.95Å; I118-R125 HydrophobicContact CG2-CB 3.98Å; F122-R125 HydrophobicContact CB-CB 4.29Å; F122-R125 HydrophobicContact CB-CG 3.78Å; F122-R125 WeakPolarHBondContact O-CB 3.45Å; F122-R125 PolarHBondContact O-N 2.86Å; R125-T127 PolarHBondContact O-N 3.47Å; R125-D172 WeakPolarHBondContact CA-OD2 3.1Å; R125-D172 HydrophobicContact CB-CB 3.95Å; R125-D172 HydrophobicContact CG-CB 4.15Å
126K96.2Very high94Very high71 Ų7138.2 Ų38.231%0.30919%0.187SC..  trans-74.9115.2177.7-179.2175.2-175172.70110.8D124 L145 R169 P171 D172 I173D124-K126 PolarHBondContact O-N 3.07Å; K126-L145 HydrophobicContact CB-CD1 4.27Å; K126-R169 WeakPolarHBondContact CE-O 3.43Å; K126-R169 PolarHBondContact NZ-O 3.34Å; K126-P171 HydrophobicContact CG-CB 4.32Å; K126-P171 WeakPolarHBondContact O-CB 3.35Å; K126-D172 PolarHBondContact N-OD2 2.94Å; K126-D172 PolarHBondContact O-N 3.33Å; K126-I173 PolarHBondContact O-N 2.82Å; K126-I173 VanDerWaalsContact O-N 3.14Å
127T97Very high93.7Very high3 Ų339.8 Ų39.82%0.01820%0.199CC..EExtended strand (participates in β ladder)trans-99.8131.4176.9-580000111.3Y115 R125 T129 P147 H148 I173Y115-T127 HydrophobicContact CD1-CG2 4.2Å; Y115-T127 HydrophobicContact CG-CG2 4.22Å; R125-T127 PolarHBondContact O-N 3.47Å; T127-T129 HydrophobicContact CG2-CG2 4.21Å; T127-P147 HydrophobicContact CG2-CB 4.45Å; T127-P147 WeakPolarHBondContact O-CA 3.47Å; T127-H148 PolarHBondContact O-N 2.9Å; T127-H148 VanDerWaalsContact O-N 3.13Å; T127-I173 HydrophobicContact CG2-CB 4.33Å; T127-I173 HydrophobicContact CG2-CG2 4.37Å
128V97.6Very high93.6Very high0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-127139.8168.7-59.10000110Y130 H148 A166 P171 I173 I174 G175V128-Y130 HydrophobicContact CG2-CE2 4.38Å; V128-H148 CarbonylContact C-O 3.56Å; V128-H148 VanDerWaalsContact CA-O 3.28Å; V128-H148 WeakPolarHBondContact CA-O 3.29Å; V128-H148 HydrophobicContact CG1-CB 4.25Å; V128-A166 HydrophobicContact CG2-CB 3.76Å; V128-P171 HydrophobicContact CB-CB 4.49Å; V128-P171 HydrophobicContact CG1-CB 4.03Å; V128-P171 HydrophobicContact CG2-CB 3.71Å; V128-P171 HydrophobicContact CG2-CG 3.82Å; V128-I173 PolarHBondContact N-O 3.37Å; V128-I174 HydrophobicContact CG2-CB 4.31Å; V128-I174 HydrophobicContact CG2-CG1 3.93Å; V128-I174 HydrophobicContact CG2-CG2 4.19Å; V128-I174 CarbonylContact O-C 3.54Å; V128-I174 WeakPolarHBondContact O-CA 3.31Å; V128-G175 PolarHBondContact O-N 3.25Å
129T97.8Very high93.3Very high1 Ų140.1 Ų40.11%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-128.9147.3177.570.80000111.7Y115 T127 E131 L138 H148 Q149 A150 G175Y115-T129 HydrophobicContact CD2-CG2 3.87Å; Y115-T129 HydrophobicContact CE2-CG2 3.69Å; T127-T129 HydrophobicContact CG2-CG2 4.21Å; T129-E131 WeakPolarHBondContact CB-OE1 3.39Å; T129-E131 PolarHBondContact OG1-OE1 3.31Å; T129-L138 HydrophobicContact CG2-CD1 3.93Å; T129-H148 PolarHBondContact N-O 3.44Å; T129-Q149 WeakPolarHBondContact OG1-CA 3.5Å; T129-Q149 WeakPolarHBondContact OG1-CB 3.42Å; T129-Q149 VanDerWaalsContact OG1-CG 3.3Å; T129-Q149 WeakPolarHBondContact OG1-CG 3.42Å; T129-A150 PolarHBondContact O-N 3.11Å; T129-G175 CarbonylContact C-O 3.57Å; T129-G175 VanDerWaalsContact CA-O 3.31Å; T129-G175 WeakPolarHBondContact CA-O 3.13Å
130Y97.6Very high92.9Very high5 Ų541.7 Ų41.72%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-123.7119.8171.9-59.8-77.5000107.7V128 A150 V156 F159 G162 A166 I174 G175 I176 G177V128-Y130 HydrophobicContact CG2-CE2 4.38Å; Y130-A150 CarbonylContact C-O 3.59Å; Y130-A150 VanDerWaalsContact CA-O 3.31Å; Y130-A150 WeakPolarHBondContact CA-O 3.29Å; Y130-A150 HydrophobicContact CD1-CB 3.67Å; Y130-A150 HydrophobicContact CE1-CB 3.85Å; Y130-V156 HydrophobicContact CD1-CG1 3.8Å; Y130-V156 HydrophobicContact CE1-CG1 4.26Å; Y130-F159 WeakPolarHBondContact O-CE1 3.35Å; Y130-G162 VanDerWaalsContact CE2-O 3.27Å; Y130-G162 WeakPolarHBondContact CE2-O 3.32Å; Y130-G162 VanDerWaalsContact CZ-CA 3.47Å; Y130-G162 PolarHBondContact OH-O 3.32Å; Y130-A166 HydrophobicContact CE2-CB 3.6Å; Y130-A166 VanDerWaalsContact OH-CB 3.32Å; Y130-A166 WeakPolarHBondContact OH-CB 3.48Å; Y130-A166 PolarHBondContact OH-N 2.93Å; Y130-I174 HydrophobicContact CD2-CG2 4.39Å; Y130-I174 HydrophobicContact CE2-CG2 4.3Å; Y130-G175 PolarHBondContact N-O 3.46Å; Y130-I176 HydrophobicContact CD2-CD1 3.81Å; Y130-G177 WeakPolarHBondContact O-CA 3.4Å; Y130-G177 PolarHBondContact O-N 2.98Å
131E94.9Very high92.5Very high27 Ų2747.6 Ų47.613%0.12625%0.251CS..EExtended strand (participates in β ladder)trans-136.4156.4-166.8-63.2173.7-125.500111.4T129 V134 E135 Q149 A150 E151 I152T129-E131 WeakPolarHBondContact CB-OE1 3.39Å; T129-E131 PolarHBondContact OG1-OE1 3.31Å; E131-V134 HydrophobicContact CB-CG2 4Å; E131-E135 PolarHBondContact OE2-N 3.1Å; E131-Q149 PolarHBondContact OE1-NE2 3.23Å; E131-A150 PolarHBondContact N-O 2.86Å; E131-E151 CarbonylContact O-C 3.59Å; E131-E151 VanDerWaalsContact O-CA 3.31Å; E131-E151 WeakPolarHBondContact O-CA 3.32Å; E131-I152 PolarHBondContact O-N 2.68Å
132D90.5Very high92.2Very high76 Ų7650.6 Ų50.641%0.40627%0.27SS..SBendtrans-140.188.8178.6-171.86.8000111.7I152 F159D132-I152 HydrophobicContact CB-CB 4.14Å; D132-I152 HydrophobicContact CB-CG1 4.26Å; D132-F159 HydrophobicContact CB-CE2 4.39Å; D132-F159 HydrophobicContact CB-CZ 3.76Å
133P86.4Confident92.1Very high4 Ų448.9 Ų48.93%0.02626%0.264CS..SBendcis-90179.3-9.438.1-35.4000112.2T26 R48 E135 E151T26-P133 VanDerWaalsContact OG1-CB 3.29Å; T26-P133 WeakPolarHBondContact OG1-CB 3.21Å; T26-P133 WeakPolarHBondContact OG1-CG 3.45Å; R48-P133 HydrophobicContact CG-CG 4.06Å; R48-P133 VanDerWaalsContact CZ-CD 3.42Å; P133-E135 PolarHBondContact O-N 3.02Å; P133-E135 VanDerWaalsContact O-N 3.12Å; P133-E151 HydrophobicContact CB-CG 4.25Å; P133-E151 WeakPolarHBondContact CB-OE2 3.43Å
134V89.2Confident92Very high5 Ų552 Ų523%0.0328%0.277CS..  trans-67.6110.3173.21740000110.2T26 R46 E131 Y136 I137 Q149 E151T26-V134 PolarHBondContact OG1-O 3.41Å; R46-V134 PolarHBondContact NH2-O 3.19Å; E131-V134 HydrophobicContact CB-CG2 4Å; V134-Y136 WeakPolarHBondContact CG1-O 3.43Å; V134-I137 HydrophobicContact CG1-CD1 4.32Å; V134-Q149 HydrophobicContact CG1-CB 4.37Å; V134-Q149 HydrophobicContact CG2-CB 4.17Å; V134-E151 HydrophobicContact CG2-CB 4.1Å; V134-E151 PolarHBondContact N-OE2 2.94Å
135E85.2Confident92Very high43 Ų4350 Ų5020%0.20127%0.266CS..  trans-87.2-52.3-176-66.1-168.3147.200111.7R46 R48 I70 S108 E131 P133R46-E135 PolarHBondContact NH1-O 2.88Å; R48-E135 IonicContact NH1-OE1 3.21Å; R48-E135 PolarHBondContact NH1-OE1 3.48Å; R48-E135 VanDerWaalsContact NH1-OE1 3.13Å; I70-E135 HydrophobicContact CG2-CB 4.06Å; I70-E135 WeakPolarHBondContact CG2-O 3.28Å; S108-E135 WeakPolarHBondContact CB-OE2 3.49Å; S108-E135 PolarHBondContact OG-OE2 2.93Å; E131-E135 PolarHBondContact OE2-N 3.1Å; P133-E135 PolarHBondContact O-N 3.02Å; P133-E135 VanDerWaalsContact O-N 3.12Å
136Y90.9Very high91.9Very high15 Ų1552.2 Ų52.26%0.05929%0.286CS..SBendtrans-101.2143.1177.1-65.6-89.1000110.5P71 I74 T109 A112 V134 Q149P71-Y136 HydrophobicContact CB-CE1 4.06Å; I74-Y136 HydrophobicContact CG1-CD1 3.64Å; I74-Y136 HydrophobicContact CG1-CE1 4.49Å; I74-Y136 HydrophobicContact CG1-CG 4.11Å; T109-Y136 PolarHBondContact OG1-OH 2.84Å; A112-Y136 HydrophobicContact CB-CD1 4.45Å; A112-Y136 HydrophobicContact CB-CD2 3.59Å; A112-Y136 HydrophobicContact CB-CE2 4.33Å; A112-Y136 HydrophobicContact CB-CG 3.66Å; V134-Y136 WeakPolarHBondContact CG1-O 3.43Å; Y136-Q149 PolarHBondContact O-NE2 3.2Å; Y136-Q149 PolarHBondContact O-OE1 3.43Å
137I91Very high91.9Very high91 Ų9149.7 Ų49.747%0.46728%0.277SS..  trans-86.7113.9167-59.8-55.3000107.1R46 V134R46-I137 VanDerWaalsContact NH1-CD1 3.29Å; V134-I137 HydrophobicContact CG1-CD1 4.32Å
138L92.5Very high91.8Very high12 Ų1253 Ų536%0.06329%0.292CS..  trans-83.5155.5173.2-55.3174000109.5I74 A112 Y115 T129 P147 Q149I74-L138 HydrophobicContact CD1-CD2 3.78Å; A112-L138 HydrophobicContact CB-CD2 4.1Å; Y115-L138 HydrophobicContact CD2-CD1 3.72Å; Y115-L138 HydrophobicContact CG-CD1 4.21Å; T129-L138 HydrophobicContact CG2-CD1 3.93Å; L138-P147 HydrophobicContact CB-CB 4Å; L138-P147 HydrophobicContact CB-CG 3.41Å; L138-P147 VanDerWaalsContact CB-CG 3.41Å; L138-P147 HydrophobicContact CD1-CB 4.37Å; L138-Q149 HydrophobicContact CB-CG 4.41Å; L138-Q149 HydrophobicContact CD1-CG 4.07Å; L138-Q149 HydrophobicContact CG-CG 4.36Å
139G89.4Confident91.8Very high34 Ų3454.6 Ų54.635%0.35130%0.3SS..  trans103.7144.2177.300000113.9D143G139-D143 WeakPolarHBondContact CA-OD2 3.26Å
140G86.9Confident91.6Very high38 Ų3854.7 Ų54.739%0.39230%0.301SS..  trans-127.2166171.400000111.5N142 D143G140-N142 PolarHBondContact O-N 3.38Å; G140-N142 VanDerWaalsContact O-N 3.07Å; G140-D143 PolarHBondContact N-OD2 2.82Å; G140-D143 PolarHBondContact O-N 2.79Å
141E85.3Confident91.5Very high201 Ų20154.8 Ų54.894%0.93930%0.302SS*.THydrogen-bonded Turntrans-58.5-24.8-176-64.6-176.416400113.8
142N88.2Confident91.4Very high157 Ų15754.7 Ų54.784%0.8430%0.302SS*.THydrogen-bonded Turntrans-106.48.8-175.1-60.8-45.8000114G140 L144G140-N142 PolarHBondContact O-N 3.38Å; G140-N142 VanDerWaalsContact O-N 3.07Å; N142-L144 PolarHBondContact O-N 3.16Å
143D92.6Very high91.2Very high26 Ų2654.2 Ų54.214%0.13931%0.314CS..  trans-70.4127.4179.6-72.1-18.9000111.2R116 G139 G140 L145R116-D143 IonicContact CZ-OD1 2.75Å; R116-D143 IonicContact CZ-OD2 2.7Å; R116-D143 VanDerWaalsContact NH1-CG 3.28Å; R116-D143 IonicContact NH1-OD1 3.2Å; R116-D143 PolarHBondContact NH1-OD1 2.84Å; R116-D143 IonicContact NH1-OD2 2.72Å; R116-D143 PolarHBondContact NH1-OD2 3.49Å; R116-D143 IonicContact NH2-OD1 2.96Å; R116-D143 PolarHBondContact NH2-OD1 2.89Å; R116-D143 IonicContact NH2-OD2 3.3Å; G139-D143 WeakPolarHBondContact CA-OD2 3.26Å; G140-D143 PolarHBondContact N-OD2 2.82Å; G140-D143 PolarHBondContact O-N 2.79Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 2.86Å
144L93.4Very high91.2Very high123 Ų12359.7 Ų59.764%0.64433%0.334SS*.SBendtrans-61.3-43.1177.8-179.665.2000111.9P123 N142P123-L144 HydrophobicContact CB-CB 4.06Å; P123-L144 HydrophobicContact CB-CD2 4.45Å; N142-L144 PolarHBondContact O-N 3.16Å
145L94.2Very high91.4Very high69 Ų6963.4 Ų63.436%0.36135%0.354SS..SBendtrans-124.390.8176.6-63.8179.4000109.4D124 K126 D143D124-L145 VanDerWaalsContact O-CD1 3.26Å; D124-L145 WeakPolarHBondContact O-CD1 3.29Å; K126-L145 HydrophobicContact CB-CD1 4.27Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 2.86Å
146P93.5Very high91.8Very high95 Ų9562.8 Ų62.862%0.61735%0.353SS*.  trans-57.2132177.7-26.635.4000111.2
147P95.5Very high92Very high18 Ų1870 Ų7012%0.11739%0.388CS..  trans-62.1144.9177.225.8-35.9000111.4Q119 T127 L138Q119-P147 VanDerWaalsContact NE2-CB 3.28Å; T127-P147 HydrophobicContact CG2-CB 4.45Å; T127-P147 WeakPolarHBondContact O-CA 3.47Å; L138-P147 HydrophobicContact CB-CB 4Å; L138-P147 HydrophobicContact CB-CG 3.41Å; L138-P147 VanDerWaalsContact CB-CG 3.41Å; L138-P147 HydrophobicContact CD1-CB 4.37Å
148H95.9Very high92.3Very high72 Ų7267.6 Ų67.633%0.33338%0.379SS..EExtended strand (participates in β ladder)trans-106.5114.5173.7174.9-78.3000110.2T127 V128 T129 R169T127-H148 PolarHBondContact O-N 2.9Å; T127-H148 VanDerWaalsContact O-N 3.13Å; V128-H148 CarbonylContact C-O 3.56Å; V128-H148 VanDerWaalsContact CA-O 3.28Å; V128-H148 WeakPolarHBondContact CA-O 3.29Å; V128-H148 HydrophobicContact CG1-CB 4.25Å; T129-H148 PolarHBondContact N-O 3.44Å; H148-R169 PolarHBondContact CD2-NH2 3.02Å; H148-R169 PolarHBondContact NE2-NH2 3.3Å
149Q96Very high92.5Very high35 Ų3567.4 Ų67.416%0.16438%0.377CS..EExtended strand (participates in β ladder)trans-104.7134.9177.2-51.6-176.2-96.800110T129 E131 V134 Y136 L138T129-Q149 WeakPolarHBondContact OG1-CA 3.5Å; T129-Q149 WeakPolarHBondContact OG1-CB 3.42Å; T129-Q149 VanDerWaalsContact OG1-CG 3.3Å; T129-Q149 WeakPolarHBondContact OG1-CG 3.42Å; E131-Q149 PolarHBondContact OE1-NE2 3.23Å; V134-Q149 HydrophobicContact CG1-CB 4.37Å; V134-Q149 HydrophobicContact CG2-CB 4.17Å; Y136-Q149 PolarHBondContact O-NE2 3.2Å; Y136-Q149 PolarHBondContact O-OE1 3.43Å; L138-Q149 HydrophobicContact CB-CG 4.41Å; L138-Q149 HydrophobicContact CD1-CG 4.07Å; L138-Q149 HydrophobicContact CG-CG 4.36Å
150A95.5Very high92.9Very high3 Ų365.9 Ų65.93%0.02536%0.362CS..EExtended strand (participates in β ladder)trans-125.6133175.700000110.5T129 Y130 E131 D155 V156T129-A150 PolarHBondContact O-N 3.11Å; Y130-A150 CarbonylContact C-O 3.59Å; Y130-A150 VanDerWaalsContact CA-O 3.31Å; Y130-A150 WeakPolarHBondContact CA-O 3.29Å; Y130-A150 HydrophobicContact CD1-CB 3.67Å; Y130-A150 HydrophobicContact CE1-CB 3.85Å; E131-A150 PolarHBondContact N-O 2.86Å; A150-D155 HydrophobicContact CB-CB 3.91Å; A150-V156 HydrophobicContact CB-CG1 4.38Å
151E93.7Very high93.3Very high7 Ų765.2 Ų65.23%0.03335%0.352CS..EExtended strand (participates in β ladder)trans-90.2131.6175.2-176167.2110.700110.8E131 P133 V134 R154 D155 V156E131-E151 CarbonylContact O-C 3.59Å; E131-E151 VanDerWaalsContact O-CA 3.31Å; E131-E151 WeakPolarHBondContact O-CA 3.32Å; P133-E151 HydrophobicContact CB-CG 4.25Å; P133-E151 WeakPolarHBondContact CB-OE2 3.43Å; V134-E151 HydrophobicContact CG2-CB 4.1Å; V134-E151 PolarHBondContact N-OE2 2.94Å; E151-R154 HydrophobicContact CB-CB 4.16Å; E151-R154 VanDerWaalsContact CB-CZ 3.49Å; E151-R154 VanDerWaalsContact CB-NH2 3.34Å; E151-R154 HydrophobicContact CG-CB 4.25Å; E151-R154 PolarHBondContact O-N 2.94Å; E151-R154 IonicContact OE1-CZ 3.1Å; E151-R154 IonicContact OE1-NH1 3.46Å; E151-R154 PolarHBondContact OE1-NH1 2.61Å; E151-R154 IonicContact OE2-CZ 2.68Å; E151-R154 IonicContact OE2-NH1 3.47Å; E151-R154 PolarHBondContact OE2-NH1 2.92Å; E151-R154 IonicContact OE2-NH2 2.71Å; E151-D155 PolarHBondContact N-OD2 3.48Å; E151-D155 PolarHBondContact O-N 3.35Å; E151-V156 PolarHBondContact O-N 3.36Å
152I93.2Very high93.9Very high25 Ų2555.7 Ų55.713%0.12831%0.308CS..BIsolated β-bridgetrans-64.9136.9175.8-56.3-49000110.1E131 D132 R154 V156 F159E131-I152 PolarHBondContact O-N 2.68Å; D132-I152 HydrophobicContact CB-CB 4.14Å; D132-I152 HydrophobicContact CB-CG1 4.26Å; I152-R154 PolarHBondContact O-N 2.71Å; I152-V156 CarbonylContact C-O 3.59Å; I152-V156 WeakPolarHBondContact CA-O 3.4Å; I152-V156 HydrophobicContact CD1-CG1 3.5Å; I152-F159 HydrophobicContact CD1-CD1 3.67Å; I152-F159 HydrophobicContact CD1-CE1 3.93Å; I152-F159 HydrophobicContact CD1-CG 4.05Å; I152-F159 HydrophobicContact CG1-CD1 3.65Å; I152-F159 HydrophobicContact CG1-CD2 4.16Å; I152-F159 HydrophobicContact CG1-CE1 3.42Å; I152-F159 VanDerWaalsContact CG1-CE1 3.42Å; I152-F159 HydrophobicContact CG1-CE2 3.96Å; I152-F159 HydrophobicContact CG1-CG 4.02Å; I152-F159 HydrophobicContact CG1-CZ 3.59Å
153G87.5Confident94.2Very high65 Ų6548.2 Ų48.267%0.6727%0.268SS*.THydrogen-bonded Turntrans79.3-16.1-177.300000115V156G153-V156 PolarHBondContact N-O 3.28Å
154R86.1Confident94.3Very high119 Ų11953.4 Ų53.445%0.44929%0.285SS..THydrogen-bonded Turntrans-105.4-55.1174.2-173.1-173.672-142.7-1.7112.4E151 I152E151-R154 HydrophobicContact CB-CB 4.16Å; E151-R154 VanDerWaalsContact CB-CZ 3.49Å; E151-R154 VanDerWaalsContact CB-NH2 3.34Å; E151-R154 HydrophobicContact CG-CB 4.25Å; E151-R154 PolarHBondContact O-N 2.94Å; E151-R154 IonicContact OE1-CZ 3.1Å; E151-R154 IonicContact OE1-NH1 3.46Å; E151-R154 PolarHBondContact OE1-NH1 2.61Å; E151-R154 IonicContact OE2-CZ 2.68Å; E151-R154 IonicContact OE2-NH1 3.47Å; E151-R154 PolarHBondContact OE2-NH1 2.92Å; E151-R154 IonicContact OE2-NH2 2.71Å; I152-R154 PolarHBondContact O-N 2.71Å
155D93.4Very high94.4Very high84 Ų8450 Ų5045%0.44927%0.272SS..THydrogen-bonded Turntrans-103.3-26.4-171.8-52.3-36.7000111.7A150 E151A150-D155 HydrophobicContact CB-CB 3.91Å; E151-D155 PolarHBondContact N-OD2 3.48Å; E151-D155 PolarHBondContact O-N 3.35Å
156V94.4Very high94.4Very high29 Ų2946.7 Ų46.718%0.17626%0.255CS..BIsolated β-bridgetrans-147.6148.617466.80000110.4Y130 A150 E151 I152 G153 S158 A161Y130-V156 HydrophobicContact CD1-CG1 3.8Å; Y130-V156 HydrophobicContact CE1-CG1 4.26Å; A150-V156 HydrophobicContact CB-CG1 4.38Å; E151-V156 PolarHBondContact O-N 3.36Å; I152-V156 CarbonylContact C-O 3.59Å; I152-V156 WeakPolarHBondContact CA-O 3.4Å; I152-V156 HydrophobicContact CD1-CG1 3.5Å; G153-V156 PolarHBondContact N-O 3.28Å; V156-S158 PolarHBondContact O-N 2.84Å; V156-A161 HydrophobicContact CG2-CB 3.92Å
157E94.6Very high94.4Very high168 Ų16844.6 Ų44.679%0.78524%0.24SC*.SBendtrans-64.3-41-173.8-176.1-177.9-177.200114
158S96.4Very high94.2Very high40 Ų4054.3 Ų54.328%0.2827%0.274SS..  trans-153.4161.9-174.761.20000111.7V156 A160 A161 G162V156-S158 PolarHBondContact O-N 2.84Å; S158-A160 VanDerWaalsContact C-N 3.32Å; S158-A160 PolarHBondContact O-N 3.23Å; S158-A161 PolarHBondContact O-N 3.48Å; S158-A161 WeakPolarHBondContact OG-CB 3.4Å; S158-A161 PolarHBondContact OG-N 3.12Å; S158-G162 PolarHBondContact O-N 3.44Å
159F97.5Very high94Very high7 Ų755 Ų553%0.03127%0.274CS..Hα-helixtrans-57.7-44.3174.3-68.7-69.3000112Y130 D132 I152 A161 G162 L163 I176 E178 T184Y130-F159 WeakPolarHBondContact O-CE1 3.35Å; D132-F159 HydrophobicContact CB-CE2 4.39Å; D132-F159 HydrophobicContact CB-CZ 3.76Å; I152-F159 HydrophobicContact CD1-CD1 3.67Å; I152-F159 HydrophobicContact CD1-CE1 3.93Å; I152-F159 HydrophobicContact CD1-CG 4.05Å; I152-F159 HydrophobicContact CG1-CD1 3.65Å; I152-F159 HydrophobicContact CG1-CD2 4.16Å; I152-F159 HydrophobicContact CG1-CE1 3.42Å; I152-F159 VanDerWaalsContact CG1-CE1 3.42Å; I152-F159 HydrophobicContact CG1-CE2 3.96Å; I152-F159 HydrophobicContact CG1-CG 4.02Å; I152-F159 HydrophobicContact CG1-CZ 3.59Å; F159-A161 PolarHBondContact O-N 3.11Å; F159-G162 CarbonylContact O-C 3.56Å; F159-G162 WeakPolarHBondContact O-CA 3.26Å; F159-G162 PolarHBondContact O-N 3.03Å; F159-G162 VanDerWaalsContact O-N 3.16Å; F159-L163 PolarHBondContact O-N 3.29Å; F159-I176 HydrophobicContact CB-CG2 4.35Å; F159-I176 HydrophobicContact CD1-CG2 4.02Å; F159-I176 HydrophobicContact CG-CG2 4.35Å; F159-E178 HydrophobicContact CE2-CB 4.25Å; F159-E178 HydrophobicContact CZ-CB 4.39Å; F159-T184 HydrophobicContact CB-CG2 3.61Å
160A96.8Very high93.8Very high3 Ų359.3 Ų59.33%0.02530%0.299CS..Hα-helixtrans-61-41.1176.800000112.7S158 L163 R164 E183S158-A160 VanDerWaalsContact C-N 3.32Å; S158-A160 PolarHBondContact O-N 3.23Å; A160-L163 PolarHBondContact O-N 3.37Å; A160-R164 WeakPolarHBondContact O-CG 3.48Å; A160-R164 PolarHBondContact O-N 2.99Å; A160-R164 VanDerWaalsContact O-N 3.08Å; A160-E183 HydrophobicContact CB-CB 3.83Å
161A96.6Very high93.8Very high24 Ų2459.4 Ų59.420%0.19830%0.299CS..Hα-helixtrans-65.5-40.417400000111.7V156 S158 F159 R164 S165V156-A161 HydrophobicContact CG2-CB 3.92Å; S158-A161 PolarHBondContact O-N 3.48Å; S158-A161 WeakPolarHBondContact OG-CB 3.4Å; S158-A161 PolarHBondContact OG-N 3.12Å; F159-A161 PolarHBondContact O-N 3.11Å; A161-R164 PolarHBondContact O-N 2.88Å; A161-S165 WeakPolarHBondContact O-CB 3.3Å; A161-S165 PolarHBondContact O-N 2.79Å
162G96.7Very high93.9Very high0 Ų062 Ų620%031%0.313CS..Hα-helixtrans-57-53.6172.200000112.1Y130 S158 F159 R164 S165 A166Y130-G162 VanDerWaalsContact CE2-O 3.27Å; Y130-G162 WeakPolarHBondContact CE2-O 3.32Å; Y130-G162 VanDerWaalsContact CZ-CA 3.47Å; Y130-G162 PolarHBondContact OH-O 3.32Å; S158-G162 PolarHBondContact O-N 3.44Å; F159-G162 CarbonylContact O-C 3.56Å; F159-G162 WeakPolarHBondContact O-CA 3.26Å; F159-G162 PolarHBondContact O-N 3.03Å; F159-G162 VanDerWaalsContact O-N 3.16Å; G162-R164 PolarHBondContact O-N 3.15Å; G162-S165 CarbonylContact O-C 3.54Å; G162-S165 WeakPolarHBondContact O-CA 3.47Å; G162-S165 WeakPolarHBondContact O-CB 3.44Å; G162-S165 PolarHBondContact O-N 3.39Å; G162-A166 PolarHBondContact O-N 2.69Å
163L96Very high94.1Very high1 Ų160.8 Ų60.81%0.00531%0.307CS..Hα-helixtrans-53-51.2176.7-85.4158000112.5F159 A160 S165 A166 V167 I174 I176 T184 A187 A188 A191F159-L163 PolarHBondContact O-N 3.29Å; A160-L163 PolarHBondContact O-N 3.37Å; L163-S165 VanDerWaalsContact C-N 3.26Å; L163-S165 PolarHBondContact O-N 2.99Å; L163-A166 WeakPolarHBondContact O-CB 3.06Å; L163-A166 PolarHBondContact O-N 3.32Å; L163-A166 VanDerWaalsContact O-N 3.1Å; L163-V167 PolarHBondContact O-N 3.47Å; L163-V167 VanDerWaalsContact O-N 3.15Å; L163-I174 HydrophobicContact CD2-CG2 3.89Å; L163-I176 HydrophobicContact CD1-CD1 3.83Å; L163-I176 HydrophobicContact CD1-CG1 4.09Å; L163-I176 HydrophobicContact CD2-CD1 3.48Å; L163-I176 VanDerWaalsContact CD2-CD1 3.48Å; L163-I176 HydrophobicContact CD2-CG1 3.84Å; L163-I176 HydrophobicContact CG-CD1 3.38Å; L163-I176 HydrophobicContact CG-CG1 4.06Å; L163-T184 HydrophobicContact CD1-CG2 3.82Å; L163-A187 HydrophobicContact CB-CB 3.74Å; L163-A187 HydrophobicContact CD1-CB 3.82Å; L163-A187 HydrophobicContact CG-CB 4.35Å; L163-A188 HydrophobicContact CD1-CB 4.29Å; L163-A191 HydrophobicContact CD2-CB 4.33Å
164R94.5Very high94.6Very high134 Ų13457.7 Ų57.751%0.50628%0.275SS..Hα-helixtrans-61.4-34.7178.3-72.1-173.6-70-96.63112.7A160 A161 G162A160-R164 WeakPolarHBondContact O-CG 3.48Å; A160-R164 PolarHBondContact O-N 2.99Å; A160-R164 VanDerWaalsContact O-N 3.08Å; A161-R164 PolarHBondContact O-N 2.88Å; G162-R164 PolarHBondContact O-N 3.15Å
165S94.2Very high95.1Very high52 Ų5252.1 Ų52.136%0.36425%0.254SS..Hα-helixtrans-70.8-40.7173.9-1730000111.8A161 G162 L163 V167 R168A161-S165 WeakPolarHBondContact O-CB 3.3Å; A161-S165 PolarHBondContact O-N 2.79Å; G162-S165 CarbonylContact O-C 3.54Å; G162-S165 WeakPolarHBondContact O-CA 3.47Å; G162-S165 WeakPolarHBondContact O-CB 3.44Å; G162-S165 PolarHBondContact O-N 3.39Å; L163-S165 VanDerWaalsContact C-N 3.26Å; L163-S165 PolarHBondContact O-N 2.99Å; S165-V167 PolarHBondContact O-N 2.7Å; S165-R168 WeakPolarHBondContact O-CB 3.48Å; S165-R168 PolarHBondContact O-N 3.46Å
166A94.9Very high95.3Very high0 Ų048.3 Ų48.30%023%0.234CC..Hα-helixtrans-60-45.3179.900000112.5V128 Y130 G162 L163 R168 R169 P171 I174V128-A166 HydrophobicContact CG2-CB 3.76Å; Y130-A166 HydrophobicContact CE2-CB 3.6Å; Y130-A166 VanDerWaalsContact OH-CB 3.32Å; Y130-A166 WeakPolarHBondContact OH-CB 3.48Å; Y130-A166 PolarHBondContact OH-N 2.93Å; G162-A166 PolarHBondContact O-N 2.69Å; L163-A166 WeakPolarHBondContact O-CB 3.06Å; L163-A166 PolarHBondContact O-N 3.32Å; L163-A166 VanDerWaalsContact O-N 3.1Å; A166-R168 PolarHBondContact O-N 3.4Å; A166-R169 WeakPolarHBondContact O-CA 3.31Å; A166-R169 WeakPolarHBondContact O-CB 3.4Å; A166-R169 PolarHBondContact O-N 2.78Å; A166-P171 HydrophobicContact CB-CG 4.31Å; A166-P171 WeakPolarHBondContact O-CD 3.38Å; A166-P171 WeakPolarHBondContact O-CG 3.41Å; A166-I174 HydrophobicContact CB-CD1 3.93Å; A166-I174 HydrophobicContact CB-CG1 4.25Å; A166-I174 HydrophobicContact CB-CG2 4.26Å
167V92.5Very high95.4Very high51 Ų5148 Ų4831%0.30924%0.237SC..Hα-helixtrans-55.9-28.3179.7172.90000112.3L163 S165 R169 A191L163-V167 PolarHBondContact O-N 3.47Å; L163-V167 VanDerWaalsContact O-N 3.15Å; S165-V167 PolarHBondContact O-N 2.7Å; V167-R169 VanDerWaalsContact C-N 3.3Å; V167-R169 PolarHBondContact O-N 2.77Å; V167-A191 HydrophobicContact CG2-CB 3.78Å
168R92.4Very high95.4Very high221 Ų22142.3 Ų42.383%0.83421%0.21SC*.THydrogen-bonded Turntrans-78.5-13176.2-59.4178-179.1176.6-0.7114S165 A166S165-R168 WeakPolarHBondContact O-CB 3.48Å; S165-R168 PolarHBondContact O-N 3.46Å; A166-R168 PolarHBondContact O-N 3.4Å
169R90.3Very high95.5Very high86 Ų8640.7 Ų40.733%0.32520%0.198SC..THydrogen-bonded Turntrans-94.4-0.3-178.2-60.5170.766116.8-0.6112K126 H148 A166 V167 P171K126-R169 WeakPolarHBondContact CE-O 3.43Å; K126-R169 PolarHBondContact NZ-O 3.34Å; H148-R169 PolarHBondContact CD2-NH2 3.02Å; H148-R169 PolarHBondContact NE2-NH2 3.3Å; A166-R169 WeakPolarHBondContact O-CA 3.31Å; A166-R169 WeakPolarHBondContact O-CB 3.4Å; A166-R169 PolarHBondContact O-N 2.78Å; V167-R169 VanDerWaalsContact C-N 3.3Å; V167-R169 PolarHBondContact O-N 2.77Å; R169-P171 VanDerWaalsContact C-CD 3.44Å
170N92.2Very high95.4Very high127 Ų12747.1 Ų47.168%0.67922%0.222SC*.  trans48.152.3-175.8-165.861.5000113.6
171P95.9Very high95.4Very high5 Ų549 Ų493%0.03223%0.232CC..  trans-76156173.533.9-34.5000110.9K126 V128 A166 R169 I174 H196K126-P171 HydrophobicContact CG-CB 4.32Å; K126-P171 WeakPolarHBondContact O-CB 3.35Å; V128-P171 HydrophobicContact CB-CB 4.49Å; V128-P171 HydrophobicContact CG1-CB 4.03Å; V128-P171 HydrophobicContact CG2-CB 3.71Å; V128-P171 HydrophobicContact CG2-CG 3.82Å; A166-P171 HydrophobicContact CB-CG 4.31Å; A166-P171 WeakPolarHBondContact O-CD 3.38Å; A166-P171 WeakPolarHBondContact O-CG 3.41Å; R169-P171 VanDerWaalsContact C-CD 3.44Å; P171-I174 HydrophobicContact CB-CG1 4.25Å; P171-I174 HydrophobicContact CG-CD1 3.85Å; P171-I174 HydrophobicContact CG-CG1 3.58Å; P171-H196 PolarHBondContact O-CD2 3.17Å
172D95.6Very high95.4Very high60 Ų6051.7 Ų51.732%0.32124%0.238SC..SBendtrans-87.1-39.4169.2-60.1-88.7000110.3R125 K126 F197R125-D172 WeakPolarHBondContact CA-OD2 3.1Å; R125-D172 HydrophobicContact CB-CB 3.95Å; R125-D172 HydrophobicContact CG-CB 4.15Å; K126-D172 PolarHBondContact N-OD2 2.94Å; K126-D172 PolarHBondContact O-N 3.33Å; D172-F197 PolarHBondContact O-N 3.02Å
173I97Very high95.5Very high1 Ų156.6 Ų56.61%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-119.9129.8-177.8-49.7-63.4000110Y115 I118 K126 T127 V128 F197 I199Y115-I173 HydrophobicContact CD1-CG2 4.12Å; Y115-I173 HydrophobicContact CE1-CG2 3.94Å; I118-I173 HydrophobicContact CD1-CD1 4.12Å; I118-I173 HydrophobicContact CD1-CG1 4.1Å; I118-I173 HydrophobicContact CG2-CG1 4.26Å; K126-I173 PolarHBondContact O-N 2.82Å; K126-I173 VanDerWaalsContact O-N 3.14Å; T127-I173 HydrophobicContact CG2-CB 4.33Å; T127-I173 HydrophobicContact CG2-CG2 4.37Å; V128-I173 PolarHBondContact N-O 3.37Å; I173-F197 WeakPolarHBondContact CA-O 3.45Å; I173-F197 HydrophobicContact CD1-CB 4.02Å; I173-F197 HydrophobicContact CD1-CD1 3.92Å; I173-F197 HydrophobicContact CD1-CG 4.47Å; I173-I199 HydrophobicContact CG2-CD1 4.14Å
174I97.9Very high95.6Very high0 Ų056.6 Ų56.60%026%0.261CS..EExtended strand (participates in β ladder)trans-119.7110.6173.6-53.6175000109.3V128 Y130 L163 A166 P171 I176 A191 H196 F197 C198 I199V128-I174 HydrophobicContact CG2-CB 4.31Å; V128-I174 HydrophobicContact CG2-CG1 3.93Å; V128-I174 HydrophobicContact CG2-CG2 4.19Å; V128-I174 CarbonylContact O-C 3.54Å; V128-I174 WeakPolarHBondContact O-CA 3.31Å; Y130-I174 HydrophobicContact CD2-CG2 4.39Å; Y130-I174 HydrophobicContact CE2-CG2 4.3Å; L163-I174 HydrophobicContact CD2-CG2 3.89Å; A166-I174 HydrophobicContact CB-CD1 3.93Å; A166-I174 HydrophobicContact CB-CG1 4.25Å; A166-I174 HydrophobicContact CB-CG2 4.26Å; P171-I174 HydrophobicContact CB-CG1 4.25Å; P171-I174 HydrophobicContact CG-CD1 3.85Å; P171-I174 HydrophobicContact CG-CG1 3.58Å; I174-I176 HydrophobicContact CG2-CD1 3.71Å; I174-I176 HydrophobicContact CG2-CG1 4.26Å; I174-A191 HydrophobicContact CD1-CB 4.16Å; I174-H196 HydrophobicContact CD1-CB 3.81Å; I174-H196 HydrophobicContact CG1-CB 4.4Å; I174-F197 PolarHBondContact N-O 2.96Å; I174-C198 CarbonylContact O-C 3.57Å; I174-C198 VanDerWaalsContact O-CA 3.3Å; I174-C198 WeakPolarHBondContact O-CA 3.43Å; I174-I199 PolarHBondContact O-N 3.23Å
175G97.9Very high95.7Very high2 Ų250.3 Ų50.32%0.02124%0.237CC..EExtended strand (participates in β ladder)trans-89.5127.6173.600000112.2Y115 V128 T129 Y130 I199Y115-G175 WeakPolarHBondContact OH-CA 3.31Å; V128-G175 PolarHBondContact O-N 3.25Å; T129-G175 CarbonylContact C-O 3.57Å; T129-G175 VanDerWaalsContact CA-O 3.31Å; T129-G175 WeakPolarHBondContact CA-O 3.13Å; Y130-G175 PolarHBondContact N-O 3.46Å; G175-I199 CarbonylContact C-O 3.55Å; G175-I199 WeakPolarHBondContact CA-O 3.43Å
176I97.6Very high95.9Very high3 Ų349.6 Ų49.62%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-119.1116.6-179.8-53.5-58.4000109.9Y130 F159 L163 I174 E178 I179 T184 I199 G200 T201Y130-I176 HydrophobicContact CD2-CD1 3.81Å; F159-I176 HydrophobicContact CB-CG2 4.35Å; F159-I176 HydrophobicContact CD1-CG2 4.02Å; F159-I176 HydrophobicContact CG-CG2 4.35Å; L163-I176 HydrophobicContact CD1-CD1 3.83Å; L163-I176 HydrophobicContact CD1-CG1 4.09Å; L163-I176 HydrophobicContact CD2-CD1 3.48Å; L163-I176 VanDerWaalsContact CD2-CD1 3.48Å; L163-I176 HydrophobicContact CD2-CG1 3.84Å; L163-I176 HydrophobicContact CG-CD1 3.38Å; L163-I176 HydrophobicContact CG-CG1 4.06Å; I174-I176 HydrophobicContact CG2-CD1 3.71Å; I174-I176 HydrophobicContact CG2-CG1 4.26Å; I176-E178 VanDerWaalsContact C-N 3.31Å; I176-E178 PolarHBondContact O-N 3.13Å; I176-I179 HydrophobicContact CG2-CG1 4Å; I176-T184 HydrophobicContact CG2-CG2 4.03Å; I176-I199 PolarHBondContact N-O 3.4Å; I176-G200 WeakPolarHBondContact O-CA 3.34Å; I176-T201 PolarHBondContact O-N 3.06Å; I176-T201 VanDerWaalsContact O-N 3.16Å
177G95.7Very high96Very high23 Ų2350 Ų5024%0.23723%0.232CC..SBendtrans-56.6-41.3-175.400000113Y130 T201Y130-G177 WeakPolarHBondContact O-CA 3.4Å; Y130-G177 PolarHBondContact O-N 2.98Å; G177-T201 WeakPolarHBondContact O-CB 3.37Å; G177-T201 WeakPolarHBondContact O-CG2 3.31Å; G177-T201 PolarHBondContact O-OG1 3.47Å
178E95.2Very high96.2Very high49 Ų4947.6 Ų47.623%0.22922%0.218CC..  trans-155.9142.1174.4-169.9178.3-157.200111.6F159 I176 R180 T201 H203F159-E178 HydrophobicContact CE2-CB 4.25Å; F159-E178 HydrophobicContact CZ-CB 4.39Å; I176-E178 VanDerWaalsContact C-N 3.31Å; I176-E178 PolarHBondContact O-N 3.13Å; E178-R180 HydrophobicContact CG-CB 4.32Å; E178-T201 CarbonylContact C-O 3.53Å; E178-T201 WeakPolarHBondContact CA-O 3.41Å; E178-H203 IonicContact OE1-ND1 3.48Å
179I97.2Very high96.4Very high5 Ų537.2 Ų37.23%0.02618%0.179CC..  trans-110.4106.3168.3-59.5171.5000108.3F98 I176 T184 A185 A188 T201 M202 L214 L217F98-I179 HydrophobicContact CD1-CD1 4.38Å; F98-I179 HydrophobicContact CE1-CD1 3.75Å; I176-I179 HydrophobicContact CG2-CG1 4Å; I179-T184 HydrophobicContact CG1-CG2 4.09Å; I179-A185 HydrophobicContact CG2-CB 3.81Å; I179-A188 HydrophobicContact CD1-CB 4.26Å; I179-T201 PolarHBondContact N-O 3.29Å; I179-M202 HydrophobicContact CB-CG 4.12Å; I179-L214 HydrophobicContact CG2-CD1 4.22Å; I179-L217 HydrophobicContact CG2-CD1 3.99Å
180R95.8Very high96.7Very high143 Ų14337.5 Ų37.554%0.5418%0.184SC..  trans-124.3-17.8-174.571.9-178.6-171.8-176.51.2115E178 L217E178-R180 HydrophobicContact CG-CB 4.32Å; R180-L217 VanDerWaalsContact O-CD2 3.26Å; R180-L217 WeakPolarHBondContact O-CD2 3.46Å
181D97Very high96.8Very high42 Ų4231.4 Ų31.423%0.22515%0.152CC..SBendtrans-133.9164.2-171.252.149.9000111.2E183 T184 A185D181-E183 VanDerWaalsContact C-N 3.34Å; D181-E183 PolarHBondContact O-N 3.37Å; D181-T184 PolarHBondContact O-N 3.36Å; D181-T184 WeakPolarHBondContact OD1-CB 3.33Å; D181-T184 PolarHBondContact OD1-N 3.47Å; D181-T184 PolarHBondContact OD1-OG1 3.24Å; D181-A185 WeakPolarHBondContact O-CB 3.42Å; D181-A185 PolarHBondContact O-N 3.45Å; D181-A185 VanDerWaalsContact O-N 3.09Å
182Y97.3Very high96.8Very high81 Ų8131.4 Ų31.432%0.31815%0.152SC..Hα-helixtrans-57.8-46.8-178.2166-112.2000111.5T184 A185 D186 L217 F218 P219 I222Y182-T184 VanDerWaalsContact C-N 3.32Å; Y182-T184 PolarHBondContact O-N 2.9Å; Y182-A185 PolarHBondContact O-N 2.9Å; Y182-D186 HydrophobicContact CE2-CB 4.21Å; Y182-D186 WeakPolarHBondContact O-CB 3.43Å; Y182-D186 PolarHBondContact O-N 2.66Å; Y182-L217 WeakPolarHBondContact CB-O 3.44Å; Y182-F218 AromaticContact CD2-CD1 3.64Å; Y182-F218 HydrophobicContact CD2-CD1 3.64Å; Y182-F218 HydrophobicContact CD2-CE1 4.15Å; Y182-F218 AromaticContact CE2-CD1 3.7Å; Y182-F218 HydrophobicContact CE2-CD1 3.7Å; Y182-F218 HydrophobicContact CE2-CE1 4.22Å; Y182-P219 HydrophobicContact CE2-CG 4.49Å; Y182-I222 HydrophobicContact CE2-CD1 3.99Å
183E97.7Very high96.7Very high102 Ų10232.5 Ų32.548%0.47716%0.158SC..Hα-helixtrans-63.9-38.8-173.7-64.179.4-178.600111.8A160 D181 A187A160-E183 HydrophobicContact CB-CB 3.83Å; D181-E183 VanDerWaalsContact C-N 3.34Å; D181-E183 PolarHBondContact O-N 3.37Å; E183-A187 WeakPolarHBondContact O-CB 3.17Å; E183-A187 PolarHBondContact O-N 3.31Å; E183-A187 VanDerWaalsContact O-N 3.1Å
184T97.8Very high96.5Very high2 Ų236.5 Ų36.51%0.01218%0.183CC..Hα-helixtrans-73.7-41.7177.1-54.40000111F159 L163 I176 I179 D181 Y182 A187 A188F159-T184 HydrophobicContact CB-CG2 3.61Å; L163-T184 HydrophobicContact CD1-CG2 3.82Å; I176-T184 HydrophobicContact CG2-CG2 4.03Å; I179-T184 HydrophobicContact CG1-CG2 4.09Å; D181-T184 PolarHBondContact O-N 3.36Å; D181-T184 WeakPolarHBondContact OD1-CB 3.33Å; D181-T184 PolarHBondContact OD1-N 3.47Å; D181-T184 PolarHBondContact OD1-OG1 3.24Å; Y182-T184 VanDerWaalsContact C-N 3.32Å; Y182-T184 PolarHBondContact O-N 2.9Å; T184-A187 PolarHBondContact O-N 2.92Å; T184-A188 WeakPolarHBondContact O-CB 3.19Å; T184-A188 PolarHBondContact O-N 3.49Å
185A97.8Very high96.3Very high1 Ų138.4 Ų38.41%0.00820%0.203CC..Hα-helixtrans-63.1-46.3177.700000112I179 D181 Y182 A188 V189 L214 L217 F218I179-A185 HydrophobicContact CG2-CB 3.81Å; D181-A185 WeakPolarHBondContact O-CB 3.42Å; D181-A185 PolarHBondContact O-N 3.45Å; D181-A185 VanDerWaalsContact O-N 3.09Å; Y182-A185 PolarHBondContact O-N 2.9Å; A185-A188 PolarHBondContact O-N 3.11Å; A185-V189 WeakPolarHBondContact O-CG2 3.38Å; A185-V189 PolarHBondContact O-N 3.3Å; A185-L214 HydrophobicContact CB-CD1 3.92Å; A185-L217 HydrophobicContact CB-CB 4.37Å; A185-L217 HydrophobicContact CB-CD1 3.86Å; A185-F218 HydrophobicContact CB-CE1 4.02Å; A185-F218 HydrophobicContact CB-CZ 3.82Å
186D97.3Very high96.3Very high37 Ų3738.8 Ų38.820%0.19820%0.204CC..Hα-helixtrans-60-50.3174.8177.963.8000110.6Y182 A188 V189 Q190 F218Y182-D186 HydrophobicContact CE2-CB 4.21Å; Y182-D186 WeakPolarHBondContact O-CB 3.43Å; Y182-D186 PolarHBondContact O-N 2.66Å; D186-A188 PolarHBondContact O-N 3.34Å; D186-V189 PolarHBondContact O-N 2.92Å; D186-Q190 WeakPolarHBondContact O-CG 3.48Å; D186-Q190 PolarHBondContact O-N 3.11Å; D186-Q190 PolarHBondContact OD1-NE2 2.79Å; D186-F218 HydrophobicContact CB-CE1 4.33Å
187A97Very high96.3Very high8 Ų838.7 Ų38.77%0.06620%0.203CC..Hα-helixtrans-58.9-35.2179.500000113L163 E183 T184 A191L163-A187 HydrophobicContact CB-CB 3.74Å; L163-A187 HydrophobicContact CD1-CB 3.82Å; L163-A187 HydrophobicContact CG-CB 4.35Å; E183-A187 WeakPolarHBondContact O-CB 3.17Å; E183-A187 PolarHBondContact O-N 3.31Å; E183-A187 VanDerWaalsContact O-N 3.1Å; T184-A187 PolarHBondContact O-N 2.92Å; A187-A191 WeakPolarHBondContact O-CB 3.22Å; A187-A191 PolarHBondContact O-N 3.48Å
188A97.5Very high96.4Very high2 Ų237.7 Ų37.72%0.01719%0.193CC..Hα-helixtrans-66.9-46.4174.300000111.7L96 L163 I179 T184 A185 D186 Q190 A191 G192L96-A188 HydrophobicContact CD2-CB 4.34Å; L96-A188 WeakPolarHBondContact CD2-O 3.22Å; L163-A188 HydrophobicContact CD1-CB 4.29Å; I179-A188 HydrophobicContact CD1-CB 4.26Å; T184-A188 WeakPolarHBondContact O-CB 3.19Å; T184-A188 PolarHBondContact O-N 3.49Å; A185-A188 PolarHBondContact O-N 3.11Å; D186-A188 PolarHBondContact O-N 3.34Å; A188-Q190 VanDerWaalsContact C-N 3.34Å; A188-Q190 PolarHBondContact O-N 2.92Å; A188-A191 PolarHBondContact O-N 3.39Å; A188-G192 PolarHBondContact O-N 3.3Å
189V97Very high96.5Very high2 Ų235.4 Ų35.41%0.01218%0.182CC..Hα-helixtrans-59.6-43.8175.91720000111L96 A185 D186 A191 G192 N193 F218 M226 A229 L233L96-V189 HydrophobicContact CD1-CG2 4.04Å; A185-V189 WeakPolarHBondContact O-CG2 3.38Å; A185-V189 PolarHBondContact O-N 3.3Å; D186-V189 PolarHBondContact O-N 2.92Å; V189-A191 PolarHBondContact O-N 2.86Å; V189-G192 PolarHBondContact O-N 2.88Å; V189-N193 PolarHBondContact O-N 3.31Å; V189-N193 PolarHBondContact O-ND2 2.76Å; V189-F218 HydrophobicContact CG2-CZ 4.24Å; V189-M226 HydrophobicContact CB-CE 3.98Å; V189-M226 HydrophobicContact CG1-CE 3.81Å; V189-M226 HydrophobicContact CG2-CE 4.14Å; V189-A229 HydrophobicContact CG1-CB 4Å; V189-L233 HydrophobicContact CB-CD1 4.47Å; V189-L233 HydrophobicContact CG1-CD1 3.94Å; V189-L233 WeakPolarHBondContact O-CD1 3.35Å
190Q95.5Very high96.5Very high92 Ų9235.2 Ų35.243%0.4318%0.182SC..Hα-helixtrans-63.4-40.7176.3-61-57.1-19.400112.5D186 A188 N193 T194D186-Q190 WeakPolarHBondContact O-CG 3.48Å; D186-Q190 PolarHBondContact O-N 3.11Å; D186-Q190 PolarHBondContact OD1-NE2 2.79Å; A188-Q190 VanDerWaalsContact C-N 3.34Å; A188-Q190 PolarHBondContact O-N 2.92Å; Q190-N193 PolarHBondContact O-N 2.87Å; Q190-T194 WeakPolarHBondContact O-CG2 3.35Å; Q190-T194 PolarHBondContact O-N 2.85Å; Q190-T194 VanDerWaalsContact O-N 3.1Å; Q190-T194 PolarHBondContact O-OG1 2.97Å
191A95.7Very high96.6Very high0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-63.5-42175.500000111.7L163 V167 I174 A187 A188 V189 T194 G195 H196 C198L163-A191 HydrophobicContact CD2-CB 4.33Å; V167-A191 HydrophobicContact CG2-CB 3.78Å; I174-A191 HydrophobicContact CD1-CB 4.16Å; A187-A191 WeakPolarHBondContact O-CB 3.22Å; A187-A191 PolarHBondContact O-N 3.48Å; A188-A191 PolarHBondContact O-N 3.39Å; V189-A191 PolarHBondContact O-N 2.86Å; A191-T194 WeakPolarHBondContact CA-OG1 3.45Å; A191-T194 PolarHBondContact O-N 2.56Å; A191-T194 PolarHBondContact O-OG1 2.69Å; A191-G195 PolarHBondContact O-N 2.87Å; A191-H196 WeakPolarHBondContact O-CB 3.39Å; A191-H196 PolarHBondContact O-N 3.3Å; A191-H196 VanDerWaalsContact O-N 3.16Å; A191-H196 PolarHBondContact O-ND1 3.22Å; A191-C198 WeakPolarHBondContact CB-SG 3.4Å
192G95.6Very high96.6Very high4 Ų427.2 Ų27.24%0.04115%0.15CC..Hα-helixtrans-59.7-46.1173.200000112.9A188 V189 T194 G195 L233A188-G192 PolarHBondContact O-N 3.3Å; V189-G192 PolarHBondContact O-N 2.88Å; G192-T194 PolarHBondContact O-N 3.16Å; G192-G195 PolarHBondContact O-N 2.71Å; G192-L233 VanDerWaalsContact C-CD2 3.49Å
193N93.7Very high96.5Very high84 Ų8426.6 Ų26.645%0.44915%0.15SC..Hα-helixtrans-62.1-27.5177.2-79.6-27.5000113.6V189 Q190 G195V189-N193 PolarHBondContact O-N 3.31Å; V189-N193 PolarHBondContact O-ND2 2.76Å; Q190-N193 PolarHBondContact O-N 2.87Å; N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 PolarHBondContact O-N 2.77Å
194T93.1Very high96.5Very high84 Ų8421.8 Ų21.852%0.51513%0.127SC..THydrogen-bonded Turntrans-889.8177.449.70000113.3Q190 A191 G192 H196Q190-T194 WeakPolarHBondContact O-CG2 3.35Å; Q190-T194 PolarHBondContact O-N 2.85Å; Q190-T194 VanDerWaalsContact O-N 3.1Å; Q190-T194 PolarHBondContact O-OG1 2.97Å; A191-T194 WeakPolarHBondContact CA-OG1 3.45Å; A191-T194 PolarHBondContact O-N 2.56Å; A191-T194 PolarHBondContact O-OG1 2.69Å; G192-T194 PolarHBondContact O-N 3.16Å; T194-H196 PolarHBondContact OG1-CE1 3.46Å; T194-H196 VanDerWaalsContact OG1-CE1 3.25Å; T194-H196 PolarHBondContact OG1-ND1 3.41Å
195G93.6Very high96.4Very high41 Ų4127.9 Ų27.942%0.42315%0.154SC..THydrogen-bonded Turntrans88.621.3172.200000114.9T94 A191 G192 N193T94-G195 VanDerWaalsContact CG2-O 3.24Å; T94-G195 WeakPolarHBondContact CG2-O 3.48Å; A191-G195 PolarHBondContact O-N 2.87Å; G192-G195 PolarHBondContact O-N 2.71Å; N193-G195 VanDerWaalsContact C-N 3.26Å; N193-G195 PolarHBondContact O-N 2.77Å
196H96.2Very high96.4Very high10 Ų1028.6 Ų28.65%0.04616%0.159CC..  trans-95.5153.7172.8-50.978.8000110.1G95 P171 I174 A191 T194G95-H196 PolarHBondContact N-O 2.95Å; P171-H196 PolarHBondContact O-CD2 3.17Å; I174-H196 HydrophobicContact CD1-CB 3.81Å; I174-H196 HydrophobicContact CG1-CB 4.4Å; A191-H196 WeakPolarHBondContact O-CB 3.39Å; A191-H196 PolarHBondContact O-N 3.3Å; A191-H196 VanDerWaalsContact O-N 3.16Å; A191-H196 PolarHBondContact O-ND1 3.22Å; T194-H196 PolarHBondContact OG1-CE1 3.46Å; T194-H196 VanDerWaalsContact OG1-CE1 3.25Å; T194-H196 PolarHBondContact OG1-ND1 3.41Å
197F97.9Very high96.5Very high0 Ų026.8 Ų26.80%015%0.149CC..EExtended strand (participates in β ladder)trans-98.2113.4166.5-167.4-128.7000110.4M90 R92 G95 D172 I173 I174 I199 Q235 F236M90-F197 VanDerWaalsContact O-CE1 3.28Å; M90-F197 WeakPolarHBondContact O-CE1 3.16Å; R92-F197 HydrophobicContact CB-CD2 4.42Å; R92-F197 HydrophobicContact CB-CE2 4.09Å; R92-F197 HydrophobicContact CB-CZ 4.22Å; G95-F197 WeakPolarHBondContact O-CA 3.33Å; G95-F197 WeakPolarHBondContact O-CD2 3.43Å; D172-F197 PolarHBondContact O-N 3.02Å; I173-F197 WeakPolarHBondContact CA-O 3.45Å; I173-F197 HydrophobicContact CD1-CB 4.02Å; I173-F197 HydrophobicContact CD1-CD1 3.92Å; I173-F197 HydrophobicContact CD1-CG 4.47Å; I174-F197 PolarHBondContact N-O 2.96Å; F197-I199 HydrophobicContact CD1-CD1 3.98Å; F197-I199 HydrophobicContact CD1-CG1 4.04Å; F197-I199 HydrophobicContact CE1-CD1 3.76Å; F197-I199 HydrophobicContact CE1-CG1 3.72Å; F197-I199 HydrophobicContact CZ-CG1 4.33Å; F197-Q235 HydrophobicContact CD2-CG 4.5Å; F197-Q235 HydrophobicContact CE2-CB 4.08Å; F197-Q235 HydrophobicContact CE2-CG 3.66Å; F197-Q235 HydrophobicContact CZ-CB 4.43Å; F197-Q235 HydrophobicContact CZ-CG 4.43Å; F197-F236 HydrophobicContact CE1-CE1 4.48Å; F197-F236 HydrophobicContact CZ-CD1 4.37Å; F197-F236 AromaticContact CZ-CE1 3.9Å; F197-F236 HydrophobicContact CZ-CE1 3.9Å
198C97.8Very high96.5Very high3 Ų326.5 Ų26.52%0.0215%0.147CC..EExtended strand (participates in β ladder)trans-104125.8-179.4-55.30000110.3G95 L96 G97 I174 A191G95-C198 PolarHBondContact O-N 2.88Å; L96-C198 CarbonylContact C-O 3.57Å; L96-C198 WeakPolarHBondContact CA-O 3.49Å; L96-C198 HydrophobicContact CD2-CB 3.73Å; G97-C198 PolarHBondContact N-O 2.71Å; I174-C198 CarbonylContact O-C 3.57Å; I174-C198 VanDerWaalsContact O-CA 3.3Å; I174-C198 WeakPolarHBondContact O-CA 3.43Å; A191-C198 WeakPolarHBondContact CB-SG 3.4Å
199I98.2Very high96.5Very high1 Ų129.8 Ų29.81%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-111.2110.6175.1-64157.9000107.7G97 I99 L114 Y115 I173 I174 G175 I176 F197G97-I199 CarbonylContact O-C 3.53Å; G97-I199 WeakPolarHBondContact O-CA 3.21Å; I99-I199 HydrophobicContact CD1-CG2 3.86Å; I99-I199 HydrophobicContact CG1-CG2 4.24Å; L114-I199 HydrophobicContact CD2-CD1 3.6Å; Y115-I199 HydrophobicContact CE1-CD1 3.88Å; I173-I199 HydrophobicContact CG2-CD1 4.14Å; I174-I199 PolarHBondContact O-N 3.23Å; G175-I199 CarbonylContact C-O 3.55Å; G175-I199 WeakPolarHBondContact CA-O 3.43Å; I176-I199 PolarHBondContact N-O 3.4Å; F197-I199 HydrophobicContact CD1-CD1 3.98Å; F197-I199 HydrophobicContact CD1-CG1 4.04Å; F197-I199 HydrophobicContact CE1-CD1 3.76Å; F197-I199 HydrophobicContact CE1-CG1 3.72Å; F197-I199 HydrophobicContact CZ-CG1 4.33Å
200G97.6Very high96.5Very high1 Ų129.8 Ų29.81%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-106.4158178.300000112.4G97 F98 I99 I176G97-G200 PolarHBondContact O-N 3.26Å; F98-G200 WeakPolarHBondContact CA-O 3.4Å; I99-G200 PolarHBondContact N-O 2.9Å; I176-G200 WeakPolarHBondContact O-CA 3.34Å
201T97.5Very high96.6Very high16 Ų1625.5 Ų25.510%0.09814%0.142CC..EExtended strand (participates in β ladder)trans-108.9149.2165.497.80000112I99 I176 G177 E178 I179I99-T201 WeakPolarHBondContact O-CA 3.4Å; I99-T201 WeakPolarHBondContact O-CB 3.28Å; I176-T201 PolarHBondContact O-N 3.06Å; I176-T201 VanDerWaalsContact O-N 3.16Å; G177-T201 WeakPolarHBondContact O-CB 3.37Å; G177-T201 WeakPolarHBondContact O-CG2 3.31Å; G177-T201 PolarHBondContact O-OG1 3.47Å; E178-T201 CarbonylContact C-O 3.53Å; E178-T201 WeakPolarHBondContact CA-O 3.41Å; I179-T201 PolarHBondContact N-O 3.29Å
202M97.4Very high96.6Very high1 Ų128.5 Ų28.51%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-142.5152.4174-59-178.473.800110.5F98 C100 G101 I179 T204 T210 R213 L214 L217F98-M202 HydrophobicContact CD1-CG 4.27Å; F98-M202 HydrophobicContact CD1-SD 3.91Å; F98-M202 HydrophobicContact CE1-SD 4.07Å; C100-M202 WeakPolarHBondContact CA-O 3.28Å; C100-M202 WeakPolarHBondContact CB-O 3.45Å; G101-M202 PolarHBondContact N-O 2.76Å; I179-M202 HydrophobicContact CB-CG 4.12Å; M202-T204 PolarHBondContact O-N 3.2Å; M202-T210 HydrophobicContact SD-CG2 3.89Å; M202-R213 HydrophobicContact CE-CB 4.19Å; M202-R213 HydrophobicContact CE-CG 3.84Å; M202-L214 HydrophobicContact CE-CB 4.07Å; M202-L214 HydrophobicContact CE-CD1 4.46Å; M202-L214 HydrophobicContact SD-CB 4.21Å; M202-L214 HydrophobicContact SD-CD1 4.37Å; M202-L217 HydrophobicContact CE-CD1 4.49Å
203H95.6Very high96.7Very high67 Ų6733.3 Ų33.331%0.3118%0.184SC..  trans-92.689.1174.1-70.3-178.8000110.7G101 K107 E178 R213G101-H203 PolarHBondContact O-CD2 3.07Å; G101-H203 VanDerWaalsContact O-CD2 3.23Å; K107-H203 PolarHBondContact NZ-CD2 2.75Å; K107-H203 VanDerWaalsContact NZ-CD2 3.3Å; K107-H203 PolarHBondContact NZ-NE2 2.69Å; E178-H203 IonicContact OE1-ND1 3.48Å; H203-R213 PolarHBondContact O-NH1 2.87Å
204T97.1Very high96.9Very high1 Ų129.5 Ų29.51%0.00616%0.163CC..  trans-138.7161177.849.90000110.4C100 G101 M202 E209 T210 R213C100-T204 WeakPolarHBondContact CB-OG1 3.28Å; G101-T204 WeakPolarHBondContact CA-O 3.5Å; G101-T204 PolarHBondContact N-O 3.48Å; M202-T204 PolarHBondContact O-N 3.2Å; T204-E209 HydrophobicContact CG2-CG 4.05Å; T204-T210 WeakPolarHBondContact CB-OG1 3.38Å; T204-T210 PolarHBondContact OG1-OG1 3.06Å; T204-R213 HydrophobicContact CG2-CB 3.94Å; T204-R213 HydrophobicContact CG2-CG 4.28Å
205K95.8Very high97.1Very high130 Ų13025.7 Ų25.757%0.56514%0.14SC*.SBendtrans-110.3-11.1-172.9-52.8-170.2-172.7-1370113.9E102 E209E102-K205 VanDerWaalsContact OE1-CE 3.23Å; E102-K205 WeakPolarHBondContact OE1-CE 3.43Å; E102-K205 IonicContact OE1-NZ 2.69Å; E102-K205 PolarHBondContact OE1-NZ 2.75Å; K205-E209 WeakPolarHBondContact CA-OE2 3.46Å; K205-E209 WeakPolarHBondContact CB-OE2 3.23Å; K205-E209 PolarHBondContact N-OE2 3.47Å
206S97.7Very high97.3Very high16 Ų1626 Ų2611%0.11214%0.144CC..SBendtrans-143.4158.8169.173.10000112.1G208 E209 T210 V239 D280S206-G208 PolarHBondContact O-N 2.9Å; S206-E209 PolarHBondContact O-N 2.89Å; S206-E209 WeakPolarHBondContact OG-CB 3.34Å; S206-E209 PolarHBondContact OG-N 2.94Å; S206-T210 PolarHBondContact O-N 3.07Å; S206-T210 PolarHBondContact O-OG1 3.23Å; S206-V239 VanDerWaalsContact C-CG2 3.4Å; S206-D280 WeakPolarHBondContact CB-OD1 3.3Å; S206-D280 WeakPolarHBondContact CB-OD2 3.38Å; S206-D280 PolarHBondContact OG-OD1 3.2Å; S206-D280 PolarHBondContact OG-OD2 3.27Å
207P98.1Very high97.4Very high0 Ų027.3 Ų27.30%015%0.151CC..Hα-helixtrans-57.1-36.9170.9-30.740.1000113.2T210 F211 I237 V239 E255 I257 I279 I283P207-T210 WeakPolarHBondContact O-CB 3.33Å; P207-T210 PolarHBondContact O-N 3.1Å; P207-F211 PolarHBondContact O-N 3.05Å; P207-I237 HydrophobicContact CB-CB 4.16Å; P207-I237 HydrophobicContact CB-CG2 3.88Å; P207-I237 HydrophobicContact CG-CG2 4.4Å; P207-V239 HydrophobicContact CG-CG2 4.34Å; P207-E255 HydrophobicContact CG-CB 4.28Å; P207-I257 HydrophobicContact CB-CB 4.42Å; P207-I257 HydrophobicContact CB-CG2 3.83Å; P207-I279 HydrophobicContact CB-CG2 3.9Å; P207-I283 HydrophobicContact CB-CD1 3.91Å; P207-I283 HydrophobicContact CG-CD1 3.56Å
208G97.8Very high97.4Very high2 Ų227.4 Ų27.42%0.02115%0.151CC..Hα-helixtrans-66.3-41.6175.600000113.8S206 T210 F211 A212 G276 D280S206-G208 PolarHBondContact O-N 2.9Å; G208-T210 PolarHBondContact O-N 3.12Å; G208-F211 PolarHBondContact O-N 3.31Å; G208-A212 PolarHBondContact O-N 2.95Å; G208-G276 VanDerWaalsContact CA-CA 3.43Å; G208-G276 WeakPolarHBondContact CA-O 3.37Å; G208-G276 WeakPolarHBondContact O-CA 3.35Å; G208-D280 VanDerWaalsContact CA-OD1 3.29Å; G208-D280 WeakPolarHBondContact CA-OD1 3.36Å; G208-D280 PolarHBondContact N-OD1 2.89Å
209E97.7Very high97.3Very high71 Ų7129.6 Ų29.633%0.33217%0.165SC..Hα-helixtrans-61.5-35.7173.1-172.5-170.2166.400111.3T204 K205 S206 F211 A212 R213T204-E209 HydrophobicContact CG2-CG 4.05Å; K205-E209 WeakPolarHBondContact CA-OE2 3.46Å; K205-E209 WeakPolarHBondContact CB-OE2 3.23Å; K205-E209 PolarHBondContact N-OE2 3.47Å; S206-E209 PolarHBondContact O-N 2.89Å; S206-E209 WeakPolarHBondContact OG-CB 3.34Å; S206-E209 PolarHBondContact OG-N 2.94Å; E209-F211 PolarHBondContact O-N 2.84Å; E209-A212 PolarHBondContact O-N 3.35Å; E209-R213 VanDerWaalsContact O-CB 3.29Å; E209-R213 WeakPolarHBondContact O-CB 3.24Å; E209-R213 PolarHBondContact O-N 3.48Å
210T98Very high97.3Very high1 Ų133.6 Ų33.61%0.00619%0.191CC..Hα-helixtrans-59.7-46.5178-52.40000111.8F98 M202 T204 S206 P207 G208 L214 I237F98-T210 HydrophobicContact CB-CG2 4.21Å; F98-T210 HydrophobicContact CG-CG2 4.35Å; M202-T210 HydrophobicContact SD-CG2 3.89Å; T204-T210 WeakPolarHBondContact CB-OG1 3.38Å; T204-T210 PolarHBondContact OG1-OG1 3.06Å; S206-T210 PolarHBondContact O-N 3.07Å; S206-T210 PolarHBondContact O-OG1 3.23Å; P207-T210 WeakPolarHBondContact O-CB 3.33Å; P207-T210 PolarHBondContact O-N 3.1Å; G208-T210 PolarHBondContact O-N 3.12Å; T210-L214 VanDerWaalsContact O-CB 3.23Å; T210-L214 WeakPolarHBondContact O-CB 3.15Å; T210-L214 PolarHBondContact O-N 3.02Å; T210-I237 HydrophobicContact CG2-CD1 4.18Å; T210-I237 HydrophobicContact CG2-CG2 3.77Å
211F96.7Very high97.2Very high2 Ų241.2 Ų41.21%0.00923%0.226CC..Hα-helixtrans-59.9-49.8172.5-92.7-69.1000111.7P207 G208 E209 R213 L214 L215 T230 V234 I237 I259 W275 I279P207-F211 PolarHBondContact O-N 3.05Å; G208-F211 PolarHBondContact O-N 3.31Å; E209-F211 PolarHBondContact O-N 2.84Å; F211-R213 VanDerWaalsContact C-N 3.33Å; F211-R213 PolarHBondContact O-N 2.86Å; F211-L214 PolarHBondContact O-N 3.47Å; F211-L215 WeakPolarHBondContact O-CB 3.44Å; F211-L215 VanDerWaalsContact O-CG 3.28Å; F211-L215 WeakPolarHBondContact O-CG 3.17Å; F211-L215 PolarHBondContact O-N 3.26Å; F211-T230 HydrophobicContact CE1-CG2 4.47Å; F211-V234 HydrophobicContact CE1-CG2 4Å; F211-V234 HydrophobicContact CZ-CB 4.22Å; F211-V234 HydrophobicContact CZ-CG1 4.18Å; F211-V234 HydrophobicContact CZ-CG2 4.05Å; F211-I237 HydrophobicContact CD2-CD1 3.36Å; F211-I237 HydrophobicContact CE2-CD1 3.3Å; F211-I237 HydrophobicContact CE2-CG1 4.46Å; F211-I237 HydrophobicContact CG-CD1 4.08Å; F211-I237 HydrophobicContact CZ-CD1 3.97Å; F211-I259 HydrophobicContact CE2-CD1 4.07Å; F211-I259 HydrophobicContact CZ-CD1 4.3Å; F211-W275 AromaticContact CD1-CE3 4Å; F211-W275 HydrophobicContact CD1-CE3 4Å; F211-W275 HydrophobicContact CD1-CZ3 4.44Å; F211-W275 HydrophobicContact CE1-CE3 4.21Å; F211-W275 HydrophobicContact CE1-CZ3 4.44Å; F211-I279 HydrophobicContact CD2-CD1 3.34Å; F211-I279 HydrophobicContact CE2-CD1 3.39Å; F211-I279 HydrophobicContact CG-CD1 4.46Å
212A96.6Very high97.2Very high64 Ų6443.5 Ų43.553%0.52924%0.237SC..Hα-helixtrans-59.6-43.6-178.500000112.1G208 E209 G216G208-A212 PolarHBondContact O-N 2.95Å; E209-A212 PolarHBondContact O-N 3.35Å; A212-G216 PolarHBondContact O-N 3.38Å
213R97.2Very high97.2Very high104 Ų10446.8 Ų46.839%0.39225%0.25SC..Hα-helixtrans-66.1-47.5178.1-174.4178-179.9108.63111.5M202 H203 T204 E209 F211 G216 L217M202-R213 HydrophobicContact CE-CB 4.19Å; M202-R213 HydrophobicContact CE-CG 3.84Å; H203-R213 PolarHBondContact O-NH1 2.87Å; T204-R213 HydrophobicContact CG2-CB 3.94Å; T204-R213 HydrophobicContact CG2-CG 4.28Å; E209-R213 VanDerWaalsContact O-CB 3.29Å; E209-R213 WeakPolarHBondContact O-CB 3.24Å; E209-R213 PolarHBondContact O-N 3.48Å; F211-R213 VanDerWaalsContact C-N 3.33Å; F211-R213 PolarHBondContact O-N 2.86Å; R213-G216 PolarHBondContact O-N 2.92Å; R213-L217 PolarHBondContact O-N 2.8Å
214L97.6Very high97.2Very high4 Ų449.1 Ų49.12%0.02126%0.264CS..Hα-helixtrans-60.2-48.2179.4178.862.4000111.1F98 I179 A185 M202 T210 F211 G216 L217 T230F98-L214 HydrophobicContact CE1-CD1 4.44Å; F98-L214 HydrophobicContact CE1-CD2 3.97Å; F98-L214 HydrophobicContact CE2-CD2 4.04Å; F98-L214 HydrophobicContact CZ-CD2 3.43Å; F98-L214 VanDerWaalsContact CZ-CD2 3.43Å; I179-L214 HydrophobicContact CG2-CD1 4.22Å; A185-L214 HydrophobicContact CB-CD1 3.92Å; M202-L214 HydrophobicContact CE-CB 4.07Å; M202-L214 HydrophobicContact CE-CD1 4.46Å; M202-L214 HydrophobicContact SD-CB 4.21Å; M202-L214 HydrophobicContact SD-CD1 4.37Å; T210-L214 VanDerWaalsContact O-CB 3.23Å; T210-L214 WeakPolarHBondContact O-CB 3.15Å; T210-L214 PolarHBondContact O-N 3.02Å; F211-L214 PolarHBondContact O-N 3.47Å; L214-G216 VanDerWaalsContact C-N 3.25Å; L214-G216 PolarHBondContact O-N 3.44Å; L214-L217 HydrophobicContact CD1-CD1 4.41Å; L214-L217 WeakPolarHBondContact O-CB 3.23Å; L214-L217 PolarHBondContact O-N 3.35Å; L214-L217 VanDerWaalsContact O-N 3.15Å; L214-T230 HydrophobicContact CD2-CG2 3.58Å
215L97.4Very high97.1Very high4 Ų453 Ų532%0.02129%0.292CS..Hα-helixtrans-68.2-27.6178.6-61.7-177.2000112.8F211 L217 F218 R223 A227 H272 W275F211-L215 WeakPolarHBondContact O-CB 3.44Å; F211-L215 VanDerWaalsContact O-CG 3.28Å; F211-L215 WeakPolarHBondContact O-CG 3.17Å; F211-L215 PolarHBondContact O-N 3.26Å; L215-L217 PolarHBondContact O-N 3.41Å; L215-F218 HydrophobicContact CD2-CD2 4.27Å; L215-F218 HydrophobicContact CD2-CE2 4.35Å; L215-F218 PolarHBondContact O-N 3.45Å; L215-R223 PolarHBondContact O-NE 2.92Å; L215-A227 HydrophobicContact CD1-CB 3.92Å; L215-A227 HydrophobicContact CD2-CB 3.79Å; L215-A227 HydrophobicContact CG-CB 4.49Å; L215-H272 HydrophobicContact CD1-CB 3.86Å; L215-W275 HydrophobicContact CD1-CE3 3.96Å; L215-W275 HydrophobicContact CD1-CZ3 3.89Å
216G97.3Very high97.2Very high49 Ų4947.6 Ų47.651%0.50527%0.269SS..Hα-helixtrans-66.2-19173.300000114.2A212 R213 L214 F218A212-G216 PolarHBondContact O-N 3.38Å; R213-G216 PolarHBondContact O-N 2.92Å; L214-G216 VanDerWaalsContact C-N 3.25Å; L214-G216 PolarHBondContact O-N 3.44Å; G216-F218 VanDerWaalsContact C-N 3.27Å
217L97.6Very high97.2Very high37 Ų3746.9 Ų46.919%0.19426%0.264CS..THydrogen-bonded Turntrans-73.5-20.4173.5-59176.2000112.2I179 R180 Y182 A185 M202 R213 L214 L215I179-L217 HydrophobicContact CG2-CD1 3.99Å; R180-L217 VanDerWaalsContact O-CD2 3.26Å; R180-L217 WeakPolarHBondContact O-CD2 3.46Å; Y182-L217 WeakPolarHBondContact CB-O 3.44Å; A185-L217 HydrophobicContact CB-CB 4.37Å; A185-L217 HydrophobicContact CB-CD1 3.86Å; M202-L217 HydrophobicContact CE-CD1 4.49Å; R213-L217 PolarHBondContact O-N 2.8Å; L214-L217 HydrophobicContact CD1-CD1 4.41Å; L214-L217 WeakPolarHBondContact O-CB 3.23Å; L214-L217 PolarHBondContact O-N 3.35Å; L214-L217 VanDerWaalsContact O-N 3.15Å; L215-L217 PolarHBondContact O-N 3.41Å
218F97.9Very high97.1Very high2 Ų249.9 Ų49.91%0.00929%0.288CS..SBendtrans-87.3136.3180-59.2-60.3000111.8Y182 A185 D186 V189 L215 G216 R223 M226Y182-F218 AromaticContact CD2-CD1 3.64Å; Y182-F218 HydrophobicContact CD2-CD1 3.64Å; Y182-F218 HydrophobicContact CD2-CE1 4.15Å; Y182-F218 AromaticContact CE2-CD1 3.7Å; Y182-F218 HydrophobicContact CE2-CD1 3.7Å; Y182-F218 HydrophobicContact CE2-CE1 4.22Å; A185-F218 HydrophobicContact CB-CE1 4.02Å; A185-F218 HydrophobicContact CB-CZ 3.82Å; D186-F218 HydrophobicContact CB-CE1 4.33Å; V189-F218 HydrophobicContact CG2-CZ 4.24Å; L215-F218 HydrophobicContact CD2-CD2 4.27Å; L215-F218 HydrophobicContact CD2-CE2 4.35Å; L215-F218 PolarHBondContact O-N 3.45Å; G216-F218 VanDerWaalsContact C-N 3.27Å; F218-R223 PolarHBondContact O-NE 2.9Å; F218-R223 PolarHBondContact O-NH2 3.23Å; F218-M226 HydrophobicContact CB-CB 4.28Å; F218-M226 HydrophobicContact CB-CG 4.41Å; F218-M226 HydrophobicContact CD1-CB 4.04Å; F218-M226 HydrophobicContact CD1-CE 4.06Å; F218-M226 HydrophobicContact CD1-CG 3.82Å; F218-M226 HydrophobicContact CD2-CB 3.55Å; F218-M226 HydrophobicContact CD2-CG 4.26Å; F218-M226 HydrophobicContact CE1-CB 4.31Å; F218-M226 HydrophobicContact CE1-CE 3.43Å; F218-M226 VanDerWaalsContact CE1-CE 3.43Å; F218-M226 HydrophobicContact CE1-CG 4.16Å; F218-M226 HydrophobicContact CE2-CB 3.84Å; F218-M226 HydrophobicContact CE2-CE 4.36Å; F218-M226 HydrophobicContact CG-CB 3.68Å; F218-M226 HydrophobicContact CG-CG 3.9Å; F218-M226 HydrophobicContact CZ-CB 4.22Å; F218-M226 HydrophobicContact CZ-CE 3.61Å
219P97.4Very high97.1Very high48 Ų4850.8 Ų50.831%0.31230%0.296SS..  trans-53.3142.7171-2533.2000111.6Y182 E221 I222 R223Y182-P219 HydrophobicContact CE2-CG 4.49Å; P219-E221 WeakPolarHBondContact CB-OE2 3.26Å; P219-E221 PolarHBondContact O-N 2.95Å; P219-E221 VanDerWaalsContact O-N 3.08Å; P219-I222 HydrophobicContact CB-CG1 4.4Å; P219-I222 PolarHBondContact O-N 3.37Å; P219-R223 PolarHBondContact O-N 2.72Å; P219-R223 VanDerWaalsContact O-N 3.12Å
220P96.7Very high97.1Very high86 Ų8647.4 Ų47.456%0.55828%0.28SS*.THydrogen-bonded Turntrans-52.4-33.6-177.4-26.634.7000114.3I222 R223P220-I222 VanDerWaalsContact C-N 3.29Å; P220-I222 PolarHBondContact O-N 3.2Å; P220-R223 PolarHBondContact O-N 2.91Å
221E97.2Very high97.1Very high160 Ų16047.6 Ų47.675%0.74828%0.281SS*.THydrogen-bonded Turntrans-67.7-28.3-173.5-55.873.1-157.100113P219P219-E221 WeakPolarHBondContact CB-OE2 3.26Å; P219-E221 PolarHBondContact O-N 2.95Å; P219-E221 VanDerWaalsContact O-N 3.08Å
222I96.6Very high97.1Very high64 Ų6450.5 Ų50.533%0.32830%0.302SS..THydrogen-bonded Turntrans-114.5-1.9-179.365.7170.3000112.9Y182 P219 P220 D224 S225 M226Y182-I222 HydrophobicContact CE2-CD1 3.99Å; P219-I222 HydrophobicContact CB-CG1 4.4Å; P219-I222 PolarHBondContact O-N 3.37Å; P220-I222 VanDerWaalsContact C-N 3.29Å; P220-I222 PolarHBondContact O-N 3.2Å; I222-D224 VanDerWaalsContact C-N 3.33Å; I222-D224 PolarHBondContact O-N 2.9Å; I222-S225 PolarHBondContact O-N 2.84Å; I222-S225 VanDerWaalsContact O-N 3.16Å; I222-M226 HydrophobicContact CB-CG 4.46Å; I222-M226 HydrophobicContact CD1-CG 4.02Å; I222-M226 HydrophobicContact CG1-CG 4.13Å; I222-M226 WeakPolarHBondContact O-CG 3.35Å; I222-M226 PolarHBondContact O-N 2.86Å
223R96.4Very high97.2Very high70 Ų7048.1 Ų48.126%0.26428%0.28SS..Hα-helixtrans-58.9-41.3-170.6-173.3177.9-63.9152.83.1112.7L215 F218 P219 P220 S225 M226 A227 H272L215-R223 PolarHBondContact O-NE 2.92Å; F218-R223 PolarHBondContact O-NE 2.9Å; F218-R223 PolarHBondContact O-NH2 3.23Å; P219-R223 PolarHBondContact O-N 2.72Å; P219-R223 VanDerWaalsContact O-N 3.12Å; P220-R223 PolarHBondContact O-N 2.91Å; R223-S225 PolarHBondContact O-N 3.23Å; R223-M226 PolarHBondContact O-N 3.42Å; R223-A227 WeakPolarHBondContact O-CB 3.46Å; R223-A227 PolarHBondContact O-N 2.68Å; R223-H272 VanDerWaalsContact CD-CE1 3.5Å; R223-H272 WeakPolarHBondContact CD-CE1 3.49Å
224D96.2Very high97.2Very high116 Ų11643.2 Ų43.262%0.6226%0.261SS*.Hα-helixtrans-62.4-44.5178.7-72.8-17.5000111.7I222 A227 A228 H272I222-D224 VanDerWaalsContact C-N 3.33Å; I222-D224 PolarHBondContact O-N 2.9Å; D224-A227 PolarHBondContact O-N 2.91Å; D224-A228 PolarHBondContact O-N 3.23Å; D224-H272 IonicContact OD1-CD2 3.36Å; D224-H272 PolarHBondContact OD1-CD2 3.07Å; D224-H272 IonicContact OD1-NE2 2.75Å; D224-H272 PolarHBondContact OD1-NE2 3.3Å; D224-H272 VanDerWaalsContact OD1-NE2 3.1Å
225S96.2Very high97.3Very high83 Ų8344.5 Ų44.558%0.5827%0.267SS*.Hα-helixtrans-64.8-43.9176.8-173.90000111.3I222 R223 A227 A228 A229I222-S225 PolarHBondContact O-N 2.84Å; I222-S225 VanDerWaalsContact O-N 3.16Å; R223-S225 PolarHBondContact O-N 3.23Å; S225-A227 VanDerWaalsContact C-N 3.31Å; S225-A227 PolarHBondContact O-N 2.78Å; S225-A228 PolarHBondContact O-N 3.21Å; S225-A229 WeakPolarHBondContact O-CB 2.98Å; S225-A229 PolarHBondContact O-N 2.72Å
226M97.2Very high97.3Very high16 Ų1644.3 Ų44.38%0.07927%0.266CS..Hα-helixtrans-68.7-31.6177.8-67.2-53-6900112V189 F218 I222 R223 T230V189-M226 HydrophobicContact CB-CE 3.98Å; V189-M226 HydrophobicContact CG1-CE 3.81Å; V189-M226 HydrophobicContact CG2-CE 4.14Å; F218-M226 HydrophobicContact CB-CB 4.28Å; F218-M226 HydrophobicContact CB-CG 4.41Å; F218-M226 HydrophobicContact CD1-CB 4.04Å; F218-M226 HydrophobicContact CD1-CE 4.06Å; F218-M226 HydrophobicContact CD1-CG 3.82Å; F218-M226 HydrophobicContact CD2-CB 3.55Å; F218-M226 HydrophobicContact CD2-CG 4.26Å; F218-M226 HydrophobicContact CE1-CB 4.31Å; F218-M226 HydrophobicContact CE1-CE 3.43Å; F218-M226 VanDerWaalsContact CE1-CE 3.43Å; F218-M226 HydrophobicContact CE1-CG 4.16Å; F218-M226 HydrophobicContact CE2-CB 3.84Å; F218-M226 HydrophobicContact CE2-CE 4.36Å; F218-M226 HydrophobicContact CG-CB 3.68Å; F218-M226 HydrophobicContact CG-CG 3.9Å; F218-M226 HydrophobicContact CZ-CB 4.22Å; F218-M226 HydrophobicContact CZ-CE 3.61Å; I222-M226 HydrophobicContact CB-CG 4.46Å; I222-M226 HydrophobicContact CD1-CG 4.02Å; I222-M226 HydrophobicContact CG1-CG 4.13Å; I222-M226 WeakPolarHBondContact O-CG 3.35Å; I222-M226 PolarHBondContact O-N 2.86Å; R223-M226 PolarHBondContact O-N 3.42Å; M226-T230 WeakPolarHBondContact O-CB 3.47Å; M226-T230 PolarHBondContact O-N 3.2Å; M226-T230 PolarHBondContact O-OG1 2.91Å
227A97.6Very high97.4Very high2 Ų242 Ų422%0.01724%0.242CC..Hα-helixtrans-65.5-47.517400000111L215 R223 D224 S225 T230 L231 H272 W275L215-A227 HydrophobicContact CD1-CB 3.92Å; L215-A227 HydrophobicContact CD2-CB 3.79Å; L215-A227 HydrophobicContact CG-CB 4.49Å; R223-A227 WeakPolarHBondContact O-CB 3.46Å; R223-A227 PolarHBondContact O-N 2.68Å; D224-A227 PolarHBondContact O-N 2.91Å; S225-A227 VanDerWaalsContact C-N 3.31Å; S225-A227 PolarHBondContact O-N 2.78Å; A227-T230 PolarHBondContact O-N 3.3Å; A227-L231 VanDerWaalsContact O-CB 3.25Å; A227-L231 WeakPolarHBondContact O-CB 3.32Å; A227-L231 PolarHBondContact O-N 2.7Å; A227-H272 HydrophobicContact CB-CB 3.72Å; A227-W275 HydrophobicContact CB-CH2 3.77Å; A227-W275 HydrophobicContact CB-CZ3 3.96Å; A227-W275 WeakPolarHBondContact O-CH2 2.94Å
228A96.8Very high97.4Very high62 Ų6240.2 Ų40.251%0.51223%0.233SC..Hα-helixtrans-61.2-45.9175.500000111.9D224 S225 L231 S232D224-A228 PolarHBondContact O-N 3.23Å; S225-A228 PolarHBondContact O-N 3.21Å; A228-L231 PolarHBondContact O-N 2.8Å; A228-S232 PolarHBondContact O-N 3.45Å
229A97.2Very high97.5Very high21 Ų2140.2 Ų40.217%0.17423%0.233CC..Hα-helixtrans-61.1-48.3176.800000111.6V189 S225 L231 S232 L233V189-A229 HydrophobicContact CG1-CB 4Å; S225-A229 WeakPolarHBondContact O-CB 2.98Å; S225-A229 PolarHBondContact O-N 2.72Å; A229-L231 PolarHBondContact O-N 2.7Å; A229-S232 PolarHBondContact O-N 3.3Å; A229-S232 VanDerWaalsContact O-N 3.13Å; A229-S232 PolarHBondContact O-OG 3.41Å; A229-L233 WeakPolarHBondContact O-CG 3.02Å; A229-L233 PolarHBondContact O-N 3.31Å
230T97.7Very high97.5Very high0 Ų038 Ų380%022%0.219CC..Hα-helixtrans-59.4-50.5177-60.90000110.6F211 L214 M226 A227 S232 L233 V234F211-T230 HydrophobicContact CE1-CG2 4.47Å; L214-T230 HydrophobicContact CD2-CG2 3.58Å; M226-T230 WeakPolarHBondContact O-CB 3.47Å; M226-T230 PolarHBondContact O-N 3.2Å; M226-T230 PolarHBondContact O-OG1 2.91Å; A227-T230 PolarHBondContact O-N 3.3Å; T230-S232 PolarHBondContact O-N 3.35Å; T230-L233 PolarHBondContact O-N 2.86Å; T230-V234 HydrophobicContact CG2-CG2 3.74Å; T230-V234 VanDerWaalsContact O-CG2 3.25Å; T230-V234 WeakPolarHBondContact O-CG2 3.39Å; T230-V234 PolarHBondContact O-N 2.66Å
231L97.9Very high97.5Very high5 Ų535.2 Ų35.23%0.02620%0.2CC..Hα-helixtrans-60.7-27.3178.1179.562.7000111.9A227 A228 A229 L233 I259 R264 L267 W275A227-L231 VanDerWaalsContact O-CB 3.25Å; A227-L231 WeakPolarHBondContact O-CB 3.32Å; A227-L231 PolarHBondContact O-N 2.7Å; A228-L231 PolarHBondContact O-N 2.8Å; A229-L231 PolarHBondContact O-N 2.7Å; L231-L233 VanDerWaalsContact C-N 3.29Å; L231-L233 PolarHBondContact O-N 2.75Å; L231-I259 HydrophobicContact CD1-CG2 4.42Å; L231-R264 HydrophobicContact CD1-CG 4.16Å; L231-R264 HydrophobicContact CG-CG 4.04Å; L231-R264 WeakPolarHBondContact O-CG 3.29Å; L231-R264 PolarHBondContact O-NH1 3.44Å; L231-L267 HydrophobicContact CD1-CB 3.91Å; L231-L267 HydrophobicContact CD1-CD1 3.77Å; L231-L267 HydrophobicContact CD2-CB 3.72Å; L231-W275 HydrophobicContact CB-CH2 3.6Å; L231-W275 HydrophobicContact CB-CZ2 4.37Å; L231-W275 HydrophobicContact CB-CZ3 3.83Å; L231-W275 HydrophobicContact CD2-CH2 3.65Å; L231-W275 HydrophobicContact CD2-CZ2 3.52Å; L231-W275 HydrophobicContact CD2-CZ3 4.34Å; L231-W275 HydrophobicContact CG-CH2 4.15Å; L231-W275 HydrophobicContact CG-CZ2 4.47Å; L231-W275 HydrophobicContact CG-CZ3 4.48Å
232S97Very high97.5Very high64 Ų6430.1 Ų30.145%0.44818%0.178SC..Hα-helixtrans-72.7-21.9174.377.30000113.6A228 A229 T230 R264A228-S232 PolarHBondContact O-N 3.45Å; A229-S232 PolarHBondContact O-N 3.3Å; A229-S232 VanDerWaalsContact O-N 3.13Å; A229-S232 PolarHBondContact O-OG 3.41Å; T230-S232 PolarHBondContact O-N 3.35Å; S232-R264 PolarHBondContact O-NH1 2.66Å
233L97.8Very high97.5Very high14 Ų1427.1 Ų27.17%0.07316%0.162CC..Hα-helixtrans-104.2-33.7-172.1-63.9169.1000114.1G95 L96 V189 G192 A229 T230 L231 Q235G95-L233 CarbonylContact C-O 3.55Å; G95-L233 VanDerWaalsContact CA-O 3.22Å; G95-L233 WeakPolarHBondContact CA-O 3.42Å; L96-L233 HydrophobicContact CB-CB 4.49Å; L96-L233 HydrophobicContact CD1-CB 4.01Å; L96-L233 HydrophobicContact CD1-CD1 4.18Å; L96-L233 HydrophobicContact CG-CB 3.82Å; L96-L233 HydrophobicContact CG-CD1 4.34Å; L96-L233 PolarHBondContact N-O 2.96Å; V189-L233 HydrophobicContact CB-CD1 4.47Å; V189-L233 HydrophobicContact CG1-CD1 3.94Å; V189-L233 WeakPolarHBondContact O-CD1 3.35Å; G192-L233 VanDerWaalsContact C-CD2 3.49Å; A229-L233 WeakPolarHBondContact O-CG 3.02Å; A229-L233 PolarHBondContact O-N 3.31Å; T230-L233 PolarHBondContact O-N 2.86Å; L231-L233 VanDerWaalsContact C-N 3.29Å; L231-L233 PolarHBondContact O-N 2.75Å; L233-Q235 PolarHBondContact O-N 2.85Å; L233-Q235 PolarHBondContact O-NE2 3.49Å; L233-Q235 VanDerWaalsContact O-NE2 3.09Å
234V98.3Very high97.4Very high0 Ų029.8 Ų29.80%017%0.172CC..EExtended strand (participates in β ladder)trans-58.4127.5-175-177.10000110.5L96 F98 F211 T230 I237 I259 R264L96-V234 HydrophobicContact CB-CG2 4.47Å; L96-V234 CarbonylContact O-C 3.56Å; L96-V234 WeakPolarHBondContact O-CA 3.49Å; F98-V234 HydrophobicContact CD2-CG1 4.34Å; F98-V234 HydrophobicContact CE2-CG1 4.33Å; F98-V234 HydrophobicContact CE2-CG2 3.89Å; F211-V234 HydrophobicContact CE1-CG2 4Å; F211-V234 HydrophobicContact CZ-CB 4.22Å; F211-V234 HydrophobicContact CZ-CG1 4.18Å; F211-V234 HydrophobicContact CZ-CG2 4.05Å; T230-V234 HydrophobicContact CG2-CG2 3.74Å; T230-V234 VanDerWaalsContact O-CG2 3.25Å; T230-V234 WeakPolarHBondContact O-CG2 3.39Å; T230-V234 PolarHBondContact O-N 2.66Å; V234-I237 HydrophobicContact CG1-CD1 4.31Å; V234-I237 HydrophobicContact CG1-CG1 3.93Å; V234-I259 HydrophobicContact CB-CG1 4.18Å; V234-I259 HydrophobicContact CG1-CG1 3.72Å; V234-I259 WeakPolarHBondContact O-CB 3.34Å; V234-R264 PolarHBondContact O-NH1 3.11Å; V234-R264 PolarHBondContact O-NH2 2.91Å
235Q98.4Very high97.4Very high31 Ų3125 Ų2515%0.14515%0.148CC..EExtended strand (participates in β ladder)trans-101.3-43.6176.2-60.6-57.8-56.100110.9R92 L96 F197 L233 I259R92-Q235 HydrophobicContact CB-CG 4.04Å; R92-Q235 HydrophobicContact CG-CB 4.2Å; R92-Q235 HydrophobicContact CG-CG 3.97Å; L96-Q235 PolarHBondContact O-N 3.09Å; F197-Q235 HydrophobicContact CD2-CG 4.5Å; F197-Q235 HydrophobicContact CE2-CB 4.08Å; F197-Q235 HydrophobicContact CE2-CG 3.66Å; F197-Q235 HydrophobicContact CZ-CB 4.43Å; F197-Q235 HydrophobicContact CZ-CG 4.43Å; L233-Q235 PolarHBondContact O-N 2.85Å; L233-Q235 PolarHBondContact O-NE2 3.49Å; L233-Q235 VanDerWaalsContact O-NE2 3.09Å; Q235-I259 PolarHBondContact O-N 3.12Å
236F98.6Very high97.4Very high0 Ų024.8 Ų24.80%014%0.139CC..EExtended strand (participates in β ladder)trans-150.4155.9176.973.3-88.2000111.9L86 A89 M90 G97 F98 I99 F197 L238 I257L86-F236 HydrophobicContact CD1-CB 3.9Å; L86-F236 HydrophobicContact CD1-CD2 3.78Å; L86-F236 HydrophobicContact CD1-CG 3.97Å; A89-F236 HydrophobicContact CB-CB 3.96Å; A89-F236 HydrophobicContact CB-CD1 4.27Å; A89-F236 HydrophobicContact CB-CG 4.47Å; M90-F236 HydrophobicContact CB-CE1 4.16Å; M90-F236 HydrophobicContact CE-CD2 4.31Å; M90-F236 HydrophobicContact CE-CE2 3.83Å; M90-F236 HydrophobicContact CE-CZ 4.19Å; M90-F236 HydrophobicContact CG-CD1 4.04Å; M90-F236 HydrophobicContact CG-CD2 4.47Å; M90-F236 HydrophobicContact CG-CE1 3.56Å; M90-F236 HydrophobicContact CG-CE2 4.06Å; M90-F236 HydrophobicContact CG-CG 4.48Å; M90-F236 HydrophobicContact CG-CZ 3.58Å; G97-F236 VanDerWaalsContact CA-CE1 3.43Å; F98-F236 PolarHBondContact N-O 2.77Å; F98-F236 VanDerWaalsContact N-O 3.11Å; F98-F236 WeakPolarHBondContact O-CE2 3.29Å; I99-F236 HydrophobicContact CG1-CE2 4.05Å; I99-F236 HydrophobicContact CG1-CZ 4.29Å; F197-F236 HydrophobicContact CE1-CE1 4.48Å; F197-F236 HydrophobicContact CZ-CD1 4.37Å; F197-F236 AromaticContact CZ-CE1 3.9Å; F197-F236 HydrophobicContact CZ-CE1 3.9Å; F236-L238 HydrophobicContact CD2-CB 4.26Å; F236-L238 HydrophobicContact CE2-CB 4.41Å; F236-I257 VanDerWaalsContact CA-O 3.3Å; F236-I257 WeakPolarHBondContact CA-O 3.48Å
237I98.6Very high97.3Very high1 Ų130.5 Ų30.51%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-130.7127.7163.3-58.4175.8000107.4F98 P207 T210 F211 V234 Y256 I257F98-I237 HydrophobicContact CB-CG1 4.27Å; F98-I237 HydrophobicContact CB-CG2 4.3Å; F98-I237 HydrophobicContact CD2-CG1 3.95Å; P207-I237 HydrophobicContact CB-CB 4.16Å; P207-I237 HydrophobicContact CB-CG2 3.88Å; P207-I237 HydrophobicContact CG-CG2 4.4Å; T210-I237 HydrophobicContact CG2-CD1 4.18Å; T210-I237 HydrophobicContact CG2-CG2 3.77Å; F211-I237 HydrophobicContact CD2-CD1 3.36Å; F211-I237 HydrophobicContact CE2-CD1 3.3Å; F211-I237 HydrophobicContact CE2-CG1 4.46Å; F211-I237 HydrophobicContact CG-CD1 4.08Å; F211-I237 HydrophobicContact CZ-CD1 3.97Å; V234-I237 HydrophobicContact CG1-CD1 4.31Å; V234-I237 HydrophobicContact CG1-CG1 3.93Å; I237-Y256 CarbonylContact O-C 3.33Å; I237-Y256 WeakPolarHBondContact O-CA 3.41Å; I237-Y256 WeakPolarHBondContact O-CB 3.21Å; I237-I257 HydrophobicContact CB-CG2 4.08Å; I237-I257 PolarHBondContact N-O 2.84Å; I237-I257 PolarHBondContact O-N 3.31Å
238L98.3Very high96.9Very high0 Ų033.2 Ų33.20%020%0.198CC..EExtended strand (participates in β ladder)trans-123.3131.6176.7160.467.2000108.4L86 M90 F98 I99 C100 L110 F236 R254 E255L86-L238 HydrophobicContact CD1-CB 4.5Å; L86-L238 HydrophobicContact CD2-CB 4.44Å; L86-L238 HydrophobicContact CD2-CD1 4.14Å; L86-L238 HydrophobicContact CD2-CD2 4.24Å; L86-L238 HydrophobicContact CD2-CG 4.5Å; M90-L238 HydrophobicContact CE-CD2 3.76Å; F98-L238 PolarHBondContact O-N 2.88Å; I99-L238 HydrophobicContact CG2-CD2 4.42Å; C100-L238 WeakPolarHBondContact CA-O 3.45Å; C100-L238 VanDerWaalsContact CB-O 3.22Å; C100-L238 WeakPolarHBondContact CB-O 3.4Å; C100-L238 PolarHBondContact N-O 3.17Å; L110-L238 HydrophobicContact CD2-CD2 3.29Å; F236-L238 HydrophobicContact CD2-CB 4.26Å; F236-L238 HydrophobicContact CE2-CB 4.41Å; L238-R254 HydrophobicContact CD1-CB 3.42Å; L238-R254 VanDerWaalsContact CD1-CB 3.42Å; L238-R254 HydrophobicContact CD1-CG 3.55Å; L238-E255 CarbonylContact C-O 3.55Å
239V98.5Very high96.7Very high2 Ų231.7 Ų31.71%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-110.7128.8164.1-179.80000108.8C100 S206 P207 R254 E255 I290C100-V239 HydrophobicContact CB-CB 4.46Å; C100-V239 HydrophobicContact CB-CG2 3.78Å; C100-V239 WeakPolarHBondContact O-CA 3.39Å; S206-V239 VanDerWaalsContact C-CG2 3.4Å; P207-V239 HydrophobicContact CG-CG2 4.34Å; V239-R254 CarbonylContact O-C 3.58Å; V239-R254 WeakPolarHBondContact O-CA 3.29Å; V239-E255 HydrophobicContact CB-CB 4.34Å; V239-E255 PolarHBondContact N-O 2.78Å; V239-E255 PolarHBondContact O-N 2.81Å; V239-I290 HydrophobicContact CG1-CD1 4.11Å
240Q97.9Very high96.4Very high2 Ų238.2 Ų38.21%0.00921%0.209CC..EExtended strand (participates in β ladder)trans-121.4148.7-178.1-171.3173.7-81.400111.5C100 S105 A252 V253 R254C100-Q240 PolarHBondContact O-N 3.29Å; S105-Q240 WeakPolarHBondContact CB-O 3.32Å; S105-Q240 PolarHBondContact O-NE2 2.68Å; S105-Q240 PolarHBondContact OG-O 3.33Å; Q240-A252 HydrophobicContact CG-CB 4.02Å; Q240-V253 WeakPolarHBondContact CA-O 3.4Å; Q240-R254 HydrophobicContact CB-CG 4.37Å; Q240-R254 HydrophobicContact CG-CG 4.06Å
241V97.3Very high96.2Very high26 Ų2642.1 Ų42.116%0.15823%0.228CC..EExtended strand (participates in β ladder)trans-131.1161163.6-63.80000109.9V243 A252 V253 I290 F311V241-V243 HydrophobicContact CG2-CG2 4.21Å; V241-A252 WeakPolarHBondContact O-CA 3.48Å; V241-V253 HydrophobicContact CG2-CB 4.03Å; V241-V253 PolarHBondContact N-O 2.69Å; V241-V253 PolarHBondContact O-N 2.71Å; V241-I290 HydrophobicContact CG1-CD1 4.04Å; V241-I290 HydrophobicContact CG2-CD1 4.14Å; V241-I290 HydrophobicContact CG2-CG1 4.18Å; V241-I290 HydrophobicContact CG2-CG2 3.57Å; V241-F311 HydrophobicContact CB-CE1 4.01Å; V241-F311 HydrophobicContact CG1-CE1 4.2Å; V241-F311 HydrophobicContact CG2-CD1 4.45Å; V241-F311 HydrophobicContact CG2-CE1 3.72Å; V241-F311 HydrophobicContact CG2-CZ 4.27Å
242L96Very high96.1Very high54 Ų5442.9 Ų42.928%0.28324%0.235SC..EExtended strand (participates in β ladder)trans-107.6124.9170.1-64.7-177.7000109.3G104 R250 Q251 A252G104-L242 WeakPolarHBondContact O-CD1 3.31Å; L242-R250 HydrophobicContact CB-CB 4.42Å; L242-Q251 WeakPolarHBondContact CA-O 3.41Å; L242-A252 HydrophobicContact CD2-CB 3.94Å
243V96.5Very high96.1Very high0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-108.4132.5179.4-175.50000108.7V241 R250 Q251 V253 V294 M297 I303 E307 F311V241-V243 HydrophobicContact CG2-CG2 4.21Å; V243-R250 CarbonylContact O-C 3.56Å; V243-R250 VanDerWaalsContact O-CA 3.25Å; V243-R250 WeakPolarHBondContact O-CA 3.33Å; V243-Q251 PolarHBondContact N-O 2.99Å; V243-Q251 PolarHBondContact O-N 3.35Å; V243-V253 HydrophobicContact CB-CG2 4.26Å; V243-V253 HydrophobicContact CG2-CB 4.2Å; V243-V253 HydrophobicContact CG2-CG2 3.55Å; V243-V294 HydrophobicContact CG2-CG2 3.89Å; V243-M297 HydrophobicContact CB-CE 4.32Å; V243-M297 HydrophobicContact CG1-CE 4.27Å; V243-I303 HydrophobicContact CG1-CD1 4.05Å; V243-I303 HydrophobicContact CG1-CG2 3.84Å; V243-E307 HydrophobicContact CG1-CG 3.64Å; V243-F311 HydrophobicContact CG1-CE2 4.38Å; V243-F311 HydrophobicContact CG2-CE2 3.97Å; V243-F311 HydrophobicContact CG2-CZ 3.93Å
244R96.2Very high96.1Very high127 Ų12739.7 Ų39.748%0.47921%0.212SC..EExtended strand (participates in β ladder)trans-71.6129.5176.6-174.3-178.4-60.2-82.94.4110.9I303 E307R244-I303 VanDerWaalsContact O-CG2 3.31Å; R244-I303 WeakPolarHBondContact O-CG2 3.47Å; R244-E307 HydrophobicContact CB-CG 4.14Å; R244-E307 PolarHBondContact N-OE1 3.13Å
245T96.3Very high96.1Very high16 Ų1640.6 Ų40.610%0.09822%0.216CC..  trans-99157178.746.20000111.8D247 G248 G249 Q251 M297 I303T245-D247 VanDerWaalsContact CB-OD1 3.23Å; T245-D247 WeakPolarHBondContact CB-OD1 3.46Å; T245-D247 PolarHBondContact O-N 3.28Å; T245-D247 PolarHBondContact OG1-OD1 2.94Å; T245-G248 PolarHBondContact O-N 2.98Å; T245-G249 PolarHBondContact N-O 3.1Å; T245-G249 VanDerWaalsContact N-O 3.16Å; T245-G249 WeakPolarHBondContact OG1-CA 3.34Å; T245-G249 PolarHBondContact OG1-N 2.86Å; T245-G249 PolarHBondContact OG1-O 3.36Å; T245-Q251 HydrophobicContact CG2-CB 3.8Å; T245-M297 HydrophobicContact CG2-CE 4.31Å; T245-I303 HydrophobicContact CG2-CG2 4.37Å
246N95.5Very high96.1Very high77 Ų7740.2 Ų40.241%0.41221%0.213SC..THydrogen-bonded Turntrans-65.4-20.1-176.6-69.8-10.3000113.7G248 G301 S302 I303 E304N246-G248 PolarHBondContact O-N 2.83Å; N246-G301 PolarHBondContact ND2-O 3.2Å; N246-S302 PolarHBondContact N-O 3Å; N246-I303 VanDerWaalsContact OD1-C 3.23Å; N246-I303 VanDerWaalsContact OD1-CA 3.28Å; N246-I303 WeakPolarHBondContact OD1-CA 3.29Å; N246-E304 WeakPolarHBondContact OD1-CG 3.31Å; N246-E304 PolarHBondContact OD1-N 3.3Å
247D94.2Very high96.1Very high137 Ų13740.7 Ų40.773%0.73322%0.216SC*.THydrogen-bonded Turntrans-77.62.2173.466.3-3.7000113.7T245 G249T245-D247 VanDerWaalsContact CB-OD1 3.23Å; T245-D247 WeakPolarHBondContact CB-OD1 3.46Å; T245-D247 PolarHBondContact O-N 3.28Å; T245-D247 PolarHBondContact OG1-OD1 2.94Å; D247-G249 VanDerWaalsContact C-N 3.31Å; D247-G249 PolarHBondContact OD1-N 3.42Å
248G90.1Very high96.1Very high58 Ų5841.8 Ų41.860%0.59822%0.222SC*.SBendtrans87.3-3.6-178.400000114.2T245 N246T245-G248 PolarHBondContact O-N 2.98Å; N246-G248 PolarHBondContact O-N 2.83Å
249G91.5Very high96.1Very high31 Ų3142 Ų4232%0.3222%0.223SC..  trans-80.9-166.2176.800000114.3T245 D247T245-G249 PolarHBondContact N-O 3.1Å; T245-G249 VanDerWaalsContact N-O 3.16Å; T245-G249 WeakPolarHBondContact OG1-CA 3.34Å; T245-G249 PolarHBondContact OG1-N 2.86Å; T245-G249 PolarHBondContact OG1-O 3.36Å; D247-G249 VanDerWaalsContact C-N 3.31Å; D247-G249 PolarHBondContact OD1-N 3.42Å
250R92Very high96Very high158 Ų15844.9 Ų44.960%0.59624%0.241SC*.EExtended strand (participates in β ladder)trans-137.5137.1168.8-67-177.8-179.9-177.4-1.8109.3L242 V243L242-R250 HydrophobicContact CB-CB 4.42Å; V243-R250 CarbonylContact O-C 3.56Å; V243-R250 VanDerWaalsContact O-CA 3.25Å; V243-R250 WeakPolarHBondContact O-CA 3.33Å
251Q93.8Very high95.9Very high82 Ų8250.3 Ų50.338%0.38327%0.271SS..EExtended strand (participates in β ladder)trans-110.8136.2174-179.1172.8-15.800110.1L242 V243 T245 M297L242-Q251 WeakPolarHBondContact CA-O 3.41Å; V243-Q251 PolarHBondContact N-O 2.99Å; V243-Q251 PolarHBondContact O-N 3.35Å; T245-Q251 HydrophobicContact CG2-CB 3.8Å; Q251-M297 HydrophobicContact CB-CE 4.05Å; Q251-M297 HydrophobicContact CG-CE 4.22Å
252A96Very high96Very high21 Ų2155.4 Ų55.417%0.17429%0.293CS..EExtended strand (participates in β ladder)trans-75.6131.1171.100000110.4Q240 V241 L242Q240-A252 HydrophobicContact CG-CB 4.02Å; V241-A252 WeakPolarHBondContact O-CA 3.48Å; L242-A252 HydrophobicContact CD2-CB 3.94Å
253V97Very high96.1Very high2 Ų253.7 Ų53.71%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-120135.8174.8-178.20000108.6Q240 V241 V243 I290 Q293 V294 M297Q240-V253 WeakPolarHBondContact CA-O 3.4Å; V241-V253 HydrophobicContact CG2-CB 4.03Å; V241-V253 PolarHBondContact N-O 2.69Å; V241-V253 PolarHBondContact O-N 2.71Å; V243-V253 HydrophobicContact CB-CG2 4.26Å; V243-V253 HydrophobicContact CG2-CB 4.2Å; V243-V253 HydrophobicContact CG2-CG2 3.55Å; V253-I290 HydrophobicContact CG1-CB 4.35Å; V253-I290 HydrophobicContact CG1-CG1 4.19Å; V253-I290 HydrophobicContact CG1-CG2 4.27Å; V253-Q293 HydrophobicContact CG1-CB 3.6Å; V253-Q293 HydrophobicContact CG1-CG 4.35Å; V253-V294 HydrophobicContact CG1-CG2 4.42Å; V253-M297 HydrophobicContact CG2-CE 4.32Å; V253-M297 HydrophobicContact CG2-SD 3.53Å; V253-M297 VanDerWaalsContact CG2-SD 3.53Å
254R97.7Very high96.1Very high8 Ų855.2 Ų55.23%0.0329%0.289CS..EExtended strand (participates in β ladder)trans-132.2123.7-161.6-65.9-171.6-166.794.72.8113.3M80 N81 I82 L238 V239 Q240 Q293M80-R254 PolarHBondContact O-NH1 2.98Å; M80-R254 PolarHBondContact O-NH2 3.5Å; N81-R254 PolarHBondContact O-NH1 2.93Å; I82-R254 VanDerWaalsContact CD1-NH2 3.29Å; L238-R254 HydrophobicContact CD1-CB 3.42Å; L238-R254 VanDerWaalsContact CD1-CB 3.42Å; L238-R254 HydrophobicContact CD1-CG 3.55Å; V239-R254 CarbonylContact O-C 3.58Å; V239-R254 WeakPolarHBondContact O-CA 3.29Å; Q240-R254 HydrophobicContact CB-CG 4.37Å; Q240-R254 HydrophobicContact CG-CG 4.06Å; R254-Q293 PolarHBondContact O-NE2 2.9Å
255E97.7Very high96.2Very high20 Ų2053.1 Ų53.19%0.09329%0.288CS..EExtended strand (participates in β ladder)trans-95.9121.3160.6-92.4176.9-142.300109P207 L238 V239 I283 R288 R289 I290P207-E255 HydrophobicContact CG-CB 4.28Å; L238-E255 CarbonylContact C-O 3.55Å; V239-E255 HydrophobicContact CB-CB 4.34Å; V239-E255 PolarHBondContact N-O 2.78Å; V239-E255 PolarHBondContact O-N 2.81Å; E255-I283 HydrophobicContact CG-CG2 4.06Å; E255-R288 WeakPolarHBondContact CG-O 3.46Å; E255-R289 VanDerWaalsContact CG-CA 3.46Å; E255-R289 HydrophobicContact CG-CB 4.37Å; E255-R289 WeakPolarHBondContact OE1-CA 3.39Å; E255-R289 VanDerWaalsContact OE1-CB 3.24Å; E255-R289 WeakPolarHBondContact OE1-CB 3.18Å; E255-I290 HydrophobicContact CB-CD1 4.29Å; E255-I290 HydrophobicContact CB-CG1 4.24Å; E255-I290 HydrophobicContact CG-CB 4.38Å; E255-I290 HydrophobicContact CG-CD1 4.29Å; E255-I290 HydrophobicContact CG-CG1 3.9Å; E255-I290 VanDerWaalsContact CG-N 3.27Å; E255-I290 PolarHBondContact OE1-N 3.07Å
256Y98.4Very high96.3Very high22 Ų2254.3 Ų54.39%0.08630%0.295CS..EExtended strand (participates in β ladder)trans-142160.9179.774.9-84.2000113.5E83 D85 L86 I237 V258 R288E83-Y256 HydrophobicContact CB-CE1 3.98Å; E83-Y256 WeakPolarHBondContact CB-OH 3.41Å; E83-Y256 VanDerWaalsContact CD-CE1 3.42Å; E83-Y256 HydrophobicContact CG-CE1 3.58Å; D85-Y256 PolarHBondContact OD1-OH 2.72Å; D85-Y256 VanDerWaalsContact OD1-OH 3.11Å; D85-Y256 PolarHBondContact OD2-OH 2.77Å; L86-Y256 HydrophobicContact CB-CD2 3.96Å; L86-Y256 HydrophobicContact CB-CE2 3.91Å; L86-Y256 HydrophobicContact CB-CG 4.49Å; L86-Y256 HydrophobicContact CD1-CD2 3.93Å; L86-Y256 HydrophobicContact CD1-CG 4.26Å; L86-Y256 HydrophobicContact CD2-CD1 4.11Å; L86-Y256 HydrophobicContact CD2-CD2 4.1Å; L86-Y256 HydrophobicContact CD2-CG 3.82Å; L86-Y256 HydrophobicContact CG-CD2 4.22Å; L86-Y256 HydrophobicContact CG-CG 4.42Å; I237-Y256 CarbonylContact O-C 3.33Å; I237-Y256 WeakPolarHBondContact O-CA 3.41Å; I237-Y256 WeakPolarHBondContact O-CB 3.21Å; Y256-V258 HydrophobicContact CD2-CG2 4.25Å; Y256-V258 HydrophobicContact CE2-CG2 4.24Å; Y256-R288 PolarHBondContact O-NH1 3.43Å
257I98.5Very high96.4Very high11 Ų1150.6 Ų50.66%0.05628%0.275CS..EExtended strand (participates in β ladder)trans-137.9133.1169.6-165.367.3000109.1P207 F236 I237 I259 L263 I279 I282P207-I257 HydrophobicContact CB-CB 4.42Å; P207-I257 HydrophobicContact CB-CG2 3.83Å; F236-I257 VanDerWaalsContact CA-O 3.3Å; F236-I257 WeakPolarHBondContact CA-O 3.48Å; I237-I257 HydrophobicContact CB-CG2 4.08Å; I237-I257 PolarHBondContact N-O 2.84Å; I237-I257 PolarHBondContact O-N 3.31Å; I257-I259 HydrophobicContact CG1-CD1 4.21Å; I257-I259 HydrophobicContact CG2-CD1 3.95Å; I257-L263 HydrophobicContact CD1-CD2 3.9Å; I257-L263 HydrophobicContact CG1-CD2 3.62Å; I257-I279 HydrophobicContact CB-CG2 4.1Å; I257-I279 HydrophobicContact CG1-CG2 4.19Å; I257-I279 HydrophobicContact CG2-CG2 3.96Å; I257-I282 HydrophobicContact CD1-CG2 4.48Å
258V98.4Very high96.5Very high23 Ų2347.5 Ų47.514%0.13926%0.264CS..EExtended strand (participates in β ladder)trans-96.7128.4167.2176.60000107.5A89 Y256 T260A89-V258 HydrophobicContact CB-CB 4.48Å; A89-V258 HydrophobicContact CB-CG1 3.85Å; A89-V258 HydrophobicContact CB-CG2 3.86Å; Y256-V258 HydrophobicContact CD2-CG2 4.25Å; Y256-V258 HydrophobicContact CE2-CG2 4.24Å; V258-T260 HydrophobicContact CG1-CG2 4.46Å; V258-T260 PolarHBondContact O-N 3.39Å
259I97.8Very high96.8Very high4 Ų453.1 Ų53.12%0.02127%0.267CS..  trans-87.686.8-179.7-50.3-57.7000108.4F211 L231 V234 Q235 I257 L263 R264F211-I259 HydrophobicContact CE2-CD1 4.07Å; F211-I259 HydrophobicContact CZ-CD1 4.3Å; L231-I259 HydrophobicContact CD1-CG2 4.42Å; V234-I259 HydrophobicContact CB-CG1 4.18Å; V234-I259 HydrophobicContact CG1-CG1 3.72Å; V234-I259 WeakPolarHBondContact O-CB 3.34Å; Q235-I259 PolarHBondContact O-N 3.12Å; I257-I259 HydrophobicContact CG1-CD1 4.21Å; I257-I259 HydrophobicContact CG2-CD1 3.95Å; I259-L263 HydrophobicContact CD1-CD2 3.88Å; I259-R264 HydrophobicContact CG2-CB 3.97Å; I259-R264 HydrophobicContact CG2-CG 4.3Å; I259-R264 PolarHBondContact O-NH2 3.31Å
260T97.3Very high97Very high63 Ų6354.8 Ų54.839%0.38727%0.267SS..  trans-69.3167.4171.5770000110.8V258 E262 L263 R264V258-T260 HydrophobicContact CG1-CG2 4.46Å; V258-T260 PolarHBondContact O-N 3.39Å; T260-E262 VanDerWaalsContact C-N 3.27Å; T260-E262 VanDerWaalsContact CB-OE2 3.24Å; T260-E262 WeakPolarHBondContact CB-OE2 3.5Å; T260-E262 PolarHBondContact O-N 2.89Å; T260-E262 PolarHBondContact OG1-N 3.34Å; T260-E262 PolarHBondContact OG1-OE2 3.49Å; T260-L263 PolarHBondContact O-N 3.3Å; T260-L263 PolarHBondContact OG1-N 3.42Å; T260-R264 VanDerWaalsContact O-CB 3.26Å; T260-R264 WeakPolarHBondContact O-CB 3.08Å; T260-R264 PolarHBondContact O-N 2.8Å
261D96.8Very high97.2Very high117 Ų11750.6 Ų50.663%0.62626%0.261SS*.Hα-helixtrans-61.8-36.9177.5-67.2-22.6000111.5R264 D265D261-R264 PolarHBondContact O-N 3.4Å; D261-D265 VanDerWaalsContact O-CB 3.31Å; D261-D265 WeakPolarHBondContact O-CB 3.38Å; D261-D265 PolarHBondContact O-N 2.92Å
262E97.7Very high97.4Very high133 Ų13348.6 Ų48.662%0.62125%0.252SS*.Hα-helixtrans-65.9-42.4176.8-5776.6-167.400112.3T260 T266T260-E262 VanDerWaalsContact C-N 3.27Å; T260-E262 VanDerWaalsContact CB-OE2 3.24Å; T260-E262 WeakPolarHBondContact CB-OE2 3.5Å; T260-E262 PolarHBondContact O-N 2.89Å; T260-E262 PolarHBondContact OG1-N 3.34Å; T260-E262 PolarHBondContact OG1-OE2 3.49Å; E262-T266 WeakPolarHBondContact O-CB 3.36Å; E262-T266 PolarHBondContact O-N 2.91Å; E262-T266 PolarHBondContact O-OG1 2.9Å
263L97.8Very high97.4Very high18 Ų1851.4 Ų51.49%0.09428%0.275CS..Hα-helixtrans-68.6-41.2176.4-179.456.7000110.4I257 I259 T260 D265 T266 L267 Y278 I282I257-L263 HydrophobicContact CD1-CD2 3.9Å; I257-L263 HydrophobicContact CG1-CD2 3.62Å; I259-L263 HydrophobicContact CD1-CD2 3.88Å; T260-L263 PolarHBondContact O-N 3.3Å; T260-L263 PolarHBondContact OG1-N 3.42Å; L263-D265 PolarHBondContact O-N 3.04Å; L263-T266 WeakPolarHBondContact O-CB 3.3Å; L263-T266 PolarHBondContact O-N 2.91Å; L263-T266 VanDerWaalsContact O-N 3.17Å; L263-L267 HydrophobicContact CD1-CD1 4.2Å; L263-L267 HydrophobicContact CD1-CG 4.08Å; L263-L267 HydrophobicContact CG-CD1 4.05Å; L263-L267 HydrophobicContact CG-CG 4.37Å; L263-L267 VanDerWaalsContact O-CG 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.48Å; L263-L267 PolarHBondContact O-N 3.19Å; L263-Y278 HydrophobicContact CD1-CD1 4.37Å; L263-Y278 HydrophobicContact CD1-CE1 3.82Å; L263-I282 HydrophobicContact CD1-CD1 4.05Å
264R97.9Very high97.4Very high32 Ų3254.1 Ų54.112%0.12129%0.292CS..Hα-helixtrans-58.8-48.2176.4-162.8-178.7-51.9-77.7-4.2111.3L231 S232 V234 I259 T260 D261 T266 L267 S268L231-R264 HydrophobicContact CD1-CG 4.16Å; L231-R264 HydrophobicContact CG-CG 4.04Å; L231-R264 WeakPolarHBondContact O-CG 3.29Å; L231-R264 PolarHBondContact O-NH1 3.44Å; S232-R264 PolarHBondContact O-NH1 2.66Å; V234-R264 PolarHBondContact O-NH1 3.11Å; V234-R264 PolarHBondContact O-NH2 2.91Å; I259-R264 HydrophobicContact CG2-CB 3.97Å; I259-R264 HydrophobicContact CG2-CG 4.3Å; I259-R264 PolarHBondContact O-NH2 3.31Å; T260-R264 VanDerWaalsContact O-CB 3.26Å; T260-R264 WeakPolarHBondContact O-CB 3.08Å; T260-R264 PolarHBondContact O-N 2.8Å; D261-R264 PolarHBondContact O-N 3.4Å; R264-T266 VanDerWaalsContact C-N 3.3Å; R264-T266 PolarHBondContact O-N 3.4Å; R264-L267 PolarHBondContact O-N 3Å; R264-S268 WeakPolarHBondContact O-CB 3.5Å; R264-S268 PolarHBondContact O-N 3.11Å
265D97.8Very high97.4Very high82 Ų8254.2 Ų54.244%0.43929%0.292SS..Hα-helixtrans-56.8-44.7173.8-93.614.2000111.8D261 L263 S268 R269D261-D265 VanDerWaalsContact O-CB 3.31Å; D261-D265 WeakPolarHBondContact O-CB 3.38Å; D261-D265 PolarHBondContact O-N 2.92Å; L263-D265 PolarHBondContact O-N 3.04Å; D265-S268 PolarHBondContact O-N 3.46Å; D265-S268 PolarHBondContact O-OG 2.85Å; D265-R269 WeakPolarHBondContact O-CG 3.38Å; D265-R269 PolarHBondContact O-N 2.89Å; D265-R269 IonicContact OD2-NH2 3.06Å; D265-R269 PolarHBondContact OD2-NH2 3.41Å
266T98Very high97.4Very high41 Ų4153.8 Ų53.825%0.25229%0.294SS..Hα-helixtrans-65.7-41.3-179.9-60.80000112.4E262 L263 R264 Q270 Y278E262-T266 WeakPolarHBondContact O-CB 3.36Å; E262-T266 PolarHBondContact O-N 2.91Å; E262-T266 PolarHBondContact O-OG1 2.9Å; L263-T266 WeakPolarHBondContact O-CB 3.3Å; L263-T266 PolarHBondContact O-N 2.91Å; L263-T266 VanDerWaalsContact O-N 3.17Å; R264-T266 VanDerWaalsContact C-N 3.3Å; R264-T266 PolarHBondContact O-N 3.4Å; T266-Q270 PolarHBondContact O-NE2 3.24Å; T266-Y278 HydrophobicContact CG2-CE1 3.96Å; T266-Y278 HydrophobicContact CG2-CE2 4.47Å; T266-Y278 WeakPolarHBondContact CG2-OH 3.39Å
267L97.9Very high97.3Very high0 Ų059 Ų590%032%0.318CS..Hα-helixtrans-69.6-38.9176.6-67.3174.6000111.2L231 L263 R264 R269 Q270 W275 Y278 I279L231-L267 HydrophobicContact CD1-CB 3.91Å; L231-L267 HydrophobicContact CD1-CD1 3.77Å; L231-L267 HydrophobicContact CD2-CB 3.72Å; L263-L267 HydrophobicContact CD1-CD1 4.2Å; L263-L267 HydrophobicContact CD1-CG 4.08Å; L263-L267 HydrophobicContact CG-CD1 4.05Å; L263-L267 HydrophobicContact CG-CG 4.37Å; L263-L267 VanDerWaalsContact O-CG 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.48Å; L263-L267 PolarHBondContact O-N 3.19Å; R264-L267 PolarHBondContact O-N 3Å; L267-R269 PolarHBondContact O-N 3.18Å; L267-R269 VanDerWaalsContact O-N 3.13Å; L267-Q270 PolarHBondContact O-N 3.12Å; L267-W275 HydrophobicContact CB-CD2 4.47Å; L267-W275 HydrophobicContact CB-CG 4.42Å; L267-W275 HydrophobicContact CD2-CB 4.05Å; L267-W275 HydrophobicContact CD2-CG 3.91Å; L267-W275 PolarHBondContact O-NE1 2.96Å; L267-Y278 HydrophobicContact CD2-CD1 3.75Å; L267-Y278 HydrophobicContact CD2-CE1 4.42Å; L267-Y278 HydrophobicContact CD2-CG 4.43Å; L267-I279 HydrophobicContact CD1-CD1 4.13Å; L267-I279 HydrophobicContact CD1-CG1 4.49Å; L267-I279 HydrophobicContact CD2-CG1 4.45Å
268S96.9Very high97.3Very high71 Ų7162.4 Ų62.450%0.49733%0.331SS..Hα-helixtrans-61.5-24.1-178.276.10000114.2R264 D265 Q270R264-S268 WeakPolarHBondContact O-CB 3.5Å; R264-S268 PolarHBondContact O-N 3.11Å; D265-S268 PolarHBondContact O-N 3.46Å; D265-S268 PolarHBondContact O-OG 2.85Å; S268-Q270 VanDerWaalsContact C-N 3.35Å
269R96.7Very high97.3Very high177 Ų17761.3 Ų61.367%0.66833%0.325SS*.THydrogen-bonded Turntrans-87.4-2.8178.1-62.4176.7-162.6118.67.4113.5D265 L267D265-R269 WeakPolarHBondContact O-CG 3.38Å; D265-R269 PolarHBondContact O-N 2.89Å; D265-R269 IonicContact OD2-NH2 3.06Å; D265-R269 PolarHBondContact OD2-NH2 3.41Å; L267-R269 PolarHBondContact O-N 3.18Å; L267-R269 VanDerWaalsContact O-N 3.13Å
270Q95.5Very high97.3Very high65 Ų6563.3 Ų63.330%0.30434%0.335SS..SBendtrans-114.5158.4-177.8-63.5178.36600110.6T266 L267 S268 H272 T274 W275T266-Q270 PolarHBondContact O-NE2 3.24Å; L267-Q270 PolarHBondContact O-N 3.12Å; S268-Q270 VanDerWaalsContact C-N 3.35Å; Q270-H272 PolarHBondContact O-N 3.15Å; Q270-T274 PolarHBondContact OE1-OG1 2.83Å; Q270-W275 PolarHBondContact O-NE1 3.33Å
271S96.4Very high97.3Very high70 Ų7062.5 Ų62.549%0.4933%0.327SS..  trans-61.5136.1169.9175.90000109.9A273 T274S271-A273 PolarHBondContact O-N 3Å; S271-A273 PolarHBondContact OG-N 2.81Å; S271-T274 PolarHBondContact O-N 2.8Å; S271-T274 PolarHBondContact O-OG1 2.87Å
272H96.5Very high97.4Very high41 Ų4158.7 Ų58.719%0.1931%0.306CS..THydrogen-bonded Turntrans-58.8-20.2177.874.372.6000113.3L215 R223 D224 A227 Q270 T274 W275L215-H272 HydrophobicContact CD1-CB 3.86Å; R223-H272 VanDerWaalsContact CD-CE1 3.5Å; R223-H272 WeakPolarHBondContact CD-CE1 3.49Å; D224-H272 IonicContact OD1-CD2 3.36Å; D224-H272 PolarHBondContact OD1-CD2 3.07Å; D224-H272 IonicContact OD1-NE2 2.75Å; D224-H272 PolarHBondContact OD1-NE2 3.3Å; D224-H272 VanDerWaalsContact OD1-NE2 3.1Å; A227-H272 HydrophobicContact CB-CB 3.72Å; Q270-H272 PolarHBondContact O-N 3.15Å; H272-T274 PolarHBondContact O-N 3.22Å; H272-W275 VanDerWaalsContact CA-CE2 3.44Å; H272-W275 HydrophobicContact CB-CD2 3.93Å; H272-W275 HydrophobicContact CB-CE3 3.97Å; H272-W275 HydrophobicContact CB-CH2 3.78Å; H272-W275 HydrophobicContact CB-CZ2 3.74Å; H272-W275 HydrophobicContact CB-CZ3 3.9Å
273A95.8Very high97.4Very high79 Ų7952.4 Ų52.465%0.65328%0.277SS*.THydrogen-bonded Turntrans-66.8-21.8174.700000113.4S271S271-A273 PolarHBondContact O-N 3Å; S271-A273 PolarHBondContact OG-N 2.81Å
274T97.2Very high97.3Very high60 Ų6056.6 Ų56.637%0.36829%0.292SS..THydrogen-bonded Turntrans-98.4-11.9-178.567.30000113.6Q270 S271 H272 G276 H277 Y278Q270-T274 PolarHBondContact OE1-OG1 2.83Å; S271-T274 PolarHBondContact O-N 2.8Å; S271-T274 PolarHBondContact O-OG1 2.87Å; H272-T274 PolarHBondContact O-N 3.22Å; T274-G276 VanDerWaalsContact C-N 3.31Å; T274-G276 PolarHBondContact O-N 3.35Å; T274-H277 PolarHBondContact O-N 2.92Å; T274-Y278 WeakPolarHBondContact O-CB 3.48Å; T274-Y278 PolarHBondContact O-N 2.84Å
275W97.9Very high97.3Very high9 Ų962.3 Ų62.33%0.03432%0.317CS..Hα-helixtrans-56.5-44.5-175.7-66-6.5000112.6F211 L215 A227 L231 L267 Q270 H272 H277 Y278 I279F211-W275 AromaticContact CD1-CE3 4Å; F211-W275 HydrophobicContact CD1-CE3 4Å; F211-W275 HydrophobicContact CD1-CZ3 4.44Å; F211-W275 HydrophobicContact CE1-CE3 4.21Å; F211-W275 HydrophobicContact CE1-CZ3 4.44Å; L215-W275 HydrophobicContact CD1-CE3 3.96Å; L215-W275 HydrophobicContact CD1-CZ3 3.89Å; A227-W275 HydrophobicContact CB-CH2 3.77Å; A227-W275 HydrophobicContact CB-CZ3 3.96Å; A227-W275 WeakPolarHBondContact O-CH2 2.94Å; L231-W275 HydrophobicContact CB-CH2 3.6Å; L231-W275 HydrophobicContact CB-CZ2 4.37Å; L231-W275 HydrophobicContact CB-CZ3 3.83Å; L231-W275 HydrophobicContact CD2-CH2 3.65Å; L231-W275 HydrophobicContact CD2-CZ2 3.52Å; L231-W275 HydrophobicContact CD2-CZ3 4.34Å; L231-W275 HydrophobicContact CG-CH2 4.15Å; L231-W275 HydrophobicContact CG-CZ2 4.47Å; L231-W275 HydrophobicContact CG-CZ3 4.48Å; L267-W275 HydrophobicContact CB-CD2 4.47Å; L267-W275 HydrophobicContact CB-CG 4.42Å; L267-W275 HydrophobicContact CD2-CB 4.05Å; L267-W275 HydrophobicContact CD2-CG 3.91Å; L267-W275 PolarHBondContact O-NE1 2.96Å; Q270-W275 PolarHBondContact O-NE1 3.33Å; H272-W275 VanDerWaalsContact CA-CE2 3.44Å; H272-W275 HydrophobicContact CB-CD2 3.93Å; H272-W275 HydrophobicContact CB-CE3 3.97Å; H272-W275 HydrophobicContact CB-CH2 3.78Å; H272-W275 HydrophobicContact CB-CZ2 3.74Å; H272-W275 HydrophobicContact CB-CZ3 3.9Å; W275-H277 PolarHBondContact O-N 2.91Å; W275-Y278 PolarHBondContact O-N 3.3Å; W275-I279 WeakPolarHBondContact O-CB 3.23Å; W275-I279 WeakPolarHBondContact O-CG1 3.33Å; W275-I279 PolarHBondContact O-N 3.17Å
276G97.3Very high97.3Very high12 Ų1263.6 Ų63.612%0.12432%0.321CS..Hα-helixtrans-59.4-49.2-178.900000112.3G208 T274 Y278 I279 D280G208-G276 VanDerWaalsContact CA-CA 3.43Å; G208-G276 WeakPolarHBondContact CA-O 3.37Å; G208-G276 WeakPolarHBondContact O-CA 3.35Å; T274-G276 VanDerWaalsContact C-N 3.31Å; T274-G276 PolarHBondContact O-N 3.35Å; G276-Y278 PolarHBondContact O-N 2.89Å; G276-I279 PolarHBondContact O-N 2.97Å; G276-D280 WeakPolarHBondContact O-CB 3.43Å; G276-D280 PolarHBondContact O-N 2.89Å
277H97.4Very high97.1Very high130 Ų13069.2 Ų69.260%0.60234%0.342SS*.Hα-helixtrans-63.1-42.7177-178.159.8000112.2T274 W275 I279 D280 E281T274-H277 PolarHBondContact O-N 2.92Å; W275-H277 PolarHBondContact O-N 2.91Å; H277-I279 PolarHBondContact O-N 3.2Å; H277-D280 PolarHBondContact O-N 2.89Å; H277-E281 IonicContact CE1-OE1 3.45Å; H277-E281 VanDerWaalsContact O-CB 3.32Å; H277-E281 WeakPolarHBondContact O-CB 3.31Å; H277-E281 VanDerWaalsContact O-CG 3.29Å; H277-E281 WeakPolarHBondContact O-CG 3.48Å; H277-E281 PolarHBondContact O-N 3.03Å
278Y98Very high97.1Very high84 Ų8471.7 Ų71.733%0.32935%0.351SS..Hα-helixtrans-60.6-45179.4-175.3-94000112.2L263 T266 L267 T274 W275 G276 E281 I282L263-Y278 HydrophobicContact CD1-CD1 4.37Å; L263-Y278 HydrophobicContact CD1-CE1 3.82Å; T266-Y278 HydrophobicContact CG2-CE1 3.96Å; T266-Y278 HydrophobicContact CG2-CE2 4.47Å; T266-Y278 WeakPolarHBondContact CG2-OH 3.39Å; L267-Y278 HydrophobicContact CD2-CD1 3.75Å; L267-Y278 HydrophobicContact CD2-CE1 4.42Å; L267-Y278 HydrophobicContact CD2-CG 4.43Å; T274-Y278 WeakPolarHBondContact O-CB 3.48Å; T274-Y278 PolarHBondContact O-N 2.84Å; W275-Y278 PolarHBondContact O-N 3.3Å; G276-Y278 PolarHBondContact O-N 2.89Å; Y278-E281 PolarHBondContact O-N 3.33Å; Y278-I282 HydrophobicContact CD1-CD1 3.89Å; Y278-I282 HydrophobicContact CE1-CD1 3.48Å; Y278-I282 VanDerWaalsContact CE1-CD1 3.48Å; Y278-I282 HydrophobicContact CE1-CG1 4.4Å; Y278-I282 WeakPolarHBondContact O-CG1 3.35Å; Y278-I282 PolarHBondContact O-N 3.24Å
279I98Very high97.1Very high0 Ų071.1 Ų71.10%034%0.338CS..Hα-helixtrans-65-48.8178.1-71.5167.4000110.9P207 F211 I257 L267 W275 G276 H277 E281 I282 I283P207-I279 HydrophobicContact CB-CG2 3.9Å; F211-I279 HydrophobicContact CD2-CD1 3.34Å; F211-I279 HydrophobicContact CE2-CD1 3.39Å; F211-I279 HydrophobicContact CG-CD1 4.46Å; I257-I279 HydrophobicContact CB-CG2 4.1Å; I257-I279 HydrophobicContact CG1-CG2 4.19Å; I257-I279 HydrophobicContact CG2-CG2 3.96Å; L267-I279 HydrophobicContact CD1-CD1 4.13Å; L267-I279 HydrophobicContact CD1-CG1 4.49Å; L267-I279 HydrophobicContact CD2-CG1 4.45Å; W275-I279 WeakPolarHBondContact O-CB 3.23Å; W275-I279 WeakPolarHBondContact O-CG1 3.33Å; W275-I279 PolarHBondContact O-N 3.17Å; G276-I279 PolarHBondContact O-N 2.97Å; H277-I279 PolarHBondContact O-N 3.2Å; I279-E281 PolarHBondContact O-N 2.87Å; I279-I282 WeakPolarHBondContact O-CB 3.46Å; I279-I282 PolarHBondContact O-N 2.99Å; I279-I282 VanDerWaalsContact O-N 3.11Å; I279-I283 HydrophobicContact CG2-CD1 3.96Å; I279-I283 WeakPolarHBondContact O-CG1 3.49Å; I279-I283 PolarHBondContact O-N 3.1Å; I279-I283 VanDerWaalsContact O-N 3.12Å
280D98Very high97.1Very high46 Ų4663.3 Ų63.325%0.24631%0.309CS..Hα-helixtrans-65.6-30.6-178.7-71.3-10.6000111.5S206 G208 G276 H277 I283 R284S206-D280 WeakPolarHBondContact CB-OD1 3.3Å; S206-D280 WeakPolarHBondContact CB-OD2 3.38Å; S206-D280 PolarHBondContact OG-OD1 3.2Å; S206-D280 PolarHBondContact OG-OD2 3.27Å; G208-D280 VanDerWaalsContact CA-OD1 3.29Å; G208-D280 WeakPolarHBondContact CA-OD1 3.36Å; G208-D280 PolarHBondContact N-OD1 2.89Å; G276-D280 WeakPolarHBondContact O-CB 3.43Å; G276-D280 PolarHBondContact O-N 2.89Å; H277-D280 PolarHBondContact O-N 2.89Å; D280-I283 PolarHBondContact O-N 2.99Å; D280-R284 WeakPolarHBondContact O-CB 3.29Å; D280-R284 PolarHBondContact O-N 3.09Å
281E97.8Very high97.1Very high46 Ų4664.1 Ų64.122%0.21531%0.309CS..Hα-helixtrans-66.5-37.9172.2-82.1-66119.400113.3H277 Y278 I279 R284 K285H277-E281 IonicContact CE1-OE1 3.45Å; H277-E281 VanDerWaalsContact O-CB 3.32Å; H277-E281 WeakPolarHBondContact O-CB 3.31Å; H277-E281 VanDerWaalsContact O-CG 3.29Å; H277-E281 WeakPolarHBondContact O-CG 3.48Å; H277-E281 PolarHBondContact O-N 3.03Å; Y278-E281 PolarHBondContact O-N 3.33Å; I279-E281 PolarHBondContact O-N 2.87Å; E281-R284 IonicContact OE1-CZ 3.59Å; E281-R284 IonicContact OE1-NE 3.51Å; E281-R284 PolarHBondContact OE1-NE 3.18Å; E281-R284 IonicContact OE1-NH2 3.1Å; E281-R284 PolarHBondContact OE1-NH2 2.83Å; E281-R284 IonicContact OE2-CZ 3.76Å; E281-R284 IonicContact OE2-NE 2.8Å; E281-R284 PolarHBondContact OE2-NE 3.02Å; E281-R284 IonicContact OE2-NH2 3.07Å; E281-R284 PolarHBondContact OE2-NH2 2.91Å; E281-K285 WeakPolarHBondContact O-CB 3.34Å; E281-K285 VanDerWaalsContact O-CG 3.28Å; E281-K285 WeakPolarHBondContact O-CG 3.24Å; E281-K285 PolarHBondContact O-N 3.03Å
282I97.8Very high97.1Very high36 Ų3661.9 Ų61.919%0.18529%0.292CS..Hα-helixtrans-60.4-54.2172.5-69.5166.6000109.3I257 L263 Y278 I279 R284 K285 E286I257-I282 HydrophobicContact CD1-CG2 4.48Å; L263-I282 HydrophobicContact CD1-CD1 4.05Å; Y278-I282 HydrophobicContact CD1-CD1 3.89Å; Y278-I282 HydrophobicContact CE1-CD1 3.48Å; Y278-I282 VanDerWaalsContact CE1-CD1 3.48Å; Y278-I282 HydrophobicContact CE1-CG1 4.4Å; Y278-I282 WeakPolarHBondContact O-CG1 3.35Å; Y278-I282 PolarHBondContact O-N 3.24Å; I279-I282 WeakPolarHBondContact O-CB 3.46Å; I279-I282 PolarHBondContact O-N 2.99Å; I279-I282 VanDerWaalsContact O-N 3.11Å; I282-R284 VanDerWaalsContact C-N 3.27Å; I282-R284 PolarHBondContact O-N 3.34Å; I282-K285 PolarHBondContact O-N 2.94Å; I282-K285 VanDerWaalsContact O-N 3.15Å; I282-E286 WeakPolarHBondContact CG2-OE1 3.36Å; I282-E286 WeakPolarHBondContact O-CG 3.25Å; I282-E286 PolarHBondContact O-N 2.85Å
283I97.9Very high97.1Very high1 Ų162.4 Ų62.41%0.00530%0.295CS..Hα-helixtrans-58.3-41.9-178.3-63.6170.4000110.7P207 E255 I279 D280 K287 R288 R289P207-I283 HydrophobicContact CB-CD1 3.91Å; P207-I283 HydrophobicContact CG-CD1 3.56Å; E255-I283 HydrophobicContact CG-CG2 4.06Å; I279-I283 HydrophobicContact CG2-CD1 3.96Å; I279-I283 WeakPolarHBondContact O-CG1 3.49Å; I279-I283 PolarHBondContact O-N 3.1Å; I279-I283 VanDerWaalsContact O-N 3.12Å; D280-I283 PolarHBondContact O-N 2.99Å; I283-K287 PolarHBondContact O-N 2.54Å; I283-R288 HydrophobicContact CG2-CB 4.05Å; I283-R288 PolarHBondContact O-N 3.44Å; I283-R289 HydrophobicContact CG2-CG 3.86Å
284R96.8Very high97.1Very high107 Ų10758.6 Ų58.640%0.40426%0.263SS..Hα-helixtrans-62.8-47.1176.5-175.6-179.874.675.60.4112.5D280 E281 I282 E286 K287D280-R284 WeakPolarHBondContact O-CB 3.29Å; D280-R284 PolarHBondContact O-N 3.09Å; E281-R284 IonicContact OE1-CZ 3.59Å; E281-R284 IonicContact OE1-NE 3.51Å; E281-R284 PolarHBondContact OE1-NE 3.18Å; E281-R284 IonicContact OE1-NH2 3.1Å; E281-R284 PolarHBondContact OE1-NH2 2.83Å; E281-R284 IonicContact OE2-CZ 3.76Å; E281-R284 IonicContact OE2-NE 2.8Å; E281-R284 PolarHBondContact OE2-NE 3.02Å; E281-R284 IonicContact OE2-NH2 3.07Å; E281-R284 PolarHBondContact OE2-NH2 2.91Å; I282-R284 VanDerWaalsContact C-N 3.27Å; I282-R284 PolarHBondContact O-N 3.34Å; R284-E286 VanDerWaalsContact C-N 3.29Å; R284-E286 PolarHBondContact O-N 2.94Å; R284-K287 PolarHBondContact O-N 3.27Å
285K97.5Very high97Very high151 Ų15157.6 Ų57.666%0.65726%0.256SS*.Hα-helixtrans-65.9-34.8-178.8-76.1173.2-176.6173.90112E281 I282 K287E281-K285 WeakPolarHBondContact O-CB 3.34Å; E281-K285 VanDerWaalsContact O-CG 3.28Å; E281-K285 WeakPolarHBondContact O-CG 3.24Å; E281-K285 PolarHBondContact O-N 3.03Å; I282-K285 PolarHBondContact O-N 2.94Å; I282-K285 VanDerWaalsContact O-N 3.15Å; K285-K287 PolarHBondContact O-N 3.11Å
286E96.8Very high96.9Very high110 Ų11060.8 Ų60.851%0.51428%0.276SS..THydrogen-bonded Turntrans-81.60.5177.4-66.1174.3-177.200113.2I282 R284 R288I282-E286 WeakPolarHBondContact CG2-OE1 3.36Å; I282-E286 WeakPolarHBondContact O-CG 3.25Å; I282-E286 PolarHBondContact O-N 2.85Å; R284-E286 VanDerWaalsContact C-N 3.29Å; R284-E286 PolarHBondContact O-N 2.94Å; E286-R288 HydrophobicContact CB-CG 4.04Å; E286-R288 PolarHBondContact O-N 3.46Å; E286-R288 IonicContact OE2-CZ 3.51Å; E286-R288 IonicContact OE2-NE 3.67Å; E286-R288 PolarHBondContact OE2-NE 3.48Å; E286-R288 IonicContact OE2-NH2 3.26Å; E286-R288 PolarHBondContact OE2-NH2 2.89Å
287K95.8Very high96.9Very high159 Ų15961 Ų6169%0.69127%0.274SS*.THydrogen-bonded Turntrans55.535.5-177.6-56.6-177.2179.1-178.90113.2I283 R284 K285 D292I283-K287 PolarHBondContact O-N 2.54Å; R284-K287 PolarHBondContact O-N 3.27Å; K285-K287 PolarHBondContact O-N 3.11Å; K287-D292 WeakPolarHBondContact CA-OD2 3.41Å; K287-D292 HydrophobicContact CB-CB 4.21Å; K287-D292 VanDerWaalsContact O-CB 3.23Å; K287-D292 WeakPolarHBondContact O-CB 3.23Å
288R96.5Very high96.8Very high52 Ų5258.2 Ų58.220%0.19626%0.259CS..  trans-97.48.5179.8-65.6-169.4-63.6112.52.3113E255 Y256 I283 E286 Q293E255-R288 WeakPolarHBondContact CG-O 3.46Å; Y256-R288 PolarHBondContact O-NH1 3.43Å; I283-R288 HydrophobicContact CG2-CB 4.05Å; I283-R288 PolarHBondContact O-N 3.44Å; E286-R288 HydrophobicContact CB-CG 4.04Å; E286-R288 PolarHBondContact O-N 3.46Å; E286-R288 IonicContact OE2-CZ 3.51Å; E286-R288 IonicContact OE2-NE 3.67Å; E286-R288 PolarHBondContact OE2-NE 3.48Å; E286-R288 IonicContact OE2-NH2 3.26Å; E286-R288 PolarHBondContact OE2-NH2 2.89Å; R288-Q293 PolarHBondContact O-NE2 3.26Å
289R97.2Very high96.6Very high58 Ų5859.9 Ų59.922%0.21927%0.269CS..SBendtrans-65.1151.6175.9-58.4174-64.6169.46110.6E255 I283 R291 D292 Q293E255-R289 VanDerWaalsContact CG-CA 3.46Å; E255-R289 HydrophobicContact CG-CB 4.37Å; E255-R289 WeakPolarHBondContact OE1-CA 3.39Å; E255-R289 VanDerWaalsContact OE1-CB 3.24Å; E255-R289 WeakPolarHBondContact OE1-CB 3.18Å; I283-R289 HydrophobicContact CG2-CG 3.86Å; R289-R291 HydrophobicContact CB-CG 3.8Å; R289-R291 PolarHBondContact O-N 3.06Å; R289-D292 HydrophobicContact CB-CB 4.38Å; R289-D292 WeakPolarHBondContact CB-OD2 3.29Å; R289-D292 WeakPolarHBondContact CG-OD2 3.27Å; R289-D292 IonicContact CZ-OD1 3.79Å; R289-D292 IonicContact CZ-OD2 2.81Å; R289-D292 PolarHBondContact N-OD2 3.37Å; R289-D292 IonicContact NE-OD1 3.13Å; R289-D292 PolarHBondContact NE-OD1 3.01Å; R289-D292 IonicContact NE-OD2 3.21Å; R289-D292 PolarHBondContact NE-OD2 2.94Å; R289-D292 IonicContact NH2-OD1 3.3Å; R289-D292 PolarHBondContact NH2-OD1 2.84Å; R289-D292 IonicContact NH2-OD2 2.68Å; R289-D292 WeakPolarHBondContact O-CB 3.4Å; R289-D292 PolarHBondContact O-N 3.36Å; R289-Q293 PolarHBondContact O-N 3.03Å
290I96.8Very high96.5Very high14 Ų1464.4 Ų64.47%0.07230%0.297CS..Hα-helixtrans-51.8-44.8172.4-79.4159.4000108.1V239 V241 V253 E255 D292 Q293 V294 F311V239-I290 HydrophobicContact CG1-CD1 4.11Å; V241-I290 HydrophobicContact CG1-CD1 4.04Å; V241-I290 HydrophobicContact CG2-CD1 4.14Å; V241-I290 HydrophobicContact CG2-CG1 4.18Å; V241-I290 HydrophobicContact CG2-CG2 3.57Å; V253-I290 HydrophobicContact CG1-CB 4.35Å; V253-I290 HydrophobicContact CG1-CG1 4.19Å; V253-I290 HydrophobicContact CG1-CG2 4.27Å; E255-I290 HydrophobicContact CB-CD1 4.29Å; E255-I290 HydrophobicContact CB-CG1 4.24Å; E255-I290 HydrophobicContact CG-CB 4.38Å; E255-I290 HydrophobicContact CG-CD1 4.29Å; E255-I290 HydrophobicContact CG-CG1 3.9Å; E255-I290 VanDerWaalsContact CG-N 3.27Å; E255-I290 PolarHBondContact OE1-N 3.07Å; I290-D292 VanDerWaalsContact C-N 3.35Å; I290-D292 PolarHBondContact O-N 3.16Å; I290-Q293 PolarHBondContact O-N 3.3Å; I290-V294 HydrophobicContact CG2-CG2 4.2Å; I290-V294 WeakPolarHBondContact O-CB 3.3Å; I290-V294 WeakPolarHBondContact O-CG2 3.36Å; I290-V294 PolarHBondContact O-N 2.81Å; I290-F311 HydrophobicContact CG2-CD1 3.89Å; I290-F311 HydrophobicContact CG2-CE1 4.38Å
291R95.4Very high96.4Very high81 Ų8164.5 Ų64.531%0.30631%0.309SS..Hα-helixtrans-62.4-37176.767.7168.766.2-171.50.4114R289 L295 E316R289-R291 HydrophobicContact CB-CG 3.8Å; R289-R291 PolarHBondContact O-N 3.06Å; R291-L295 VanDerWaalsContact O-CB 3.29Å; R291-L295 WeakPolarHBondContact O-CB 3.33Å; R291-L295 PolarHBondContact O-N 2.81Å; R291-E316 IonicContact NH1-OE1 3.49Å; R291-E316 PolarHBondContact NH1-OE1 3.38Å; R291-E316 IonicContact NH1-OE2 3.32Å; R291-E316 PolarHBondContact NH1-OE2 2.89Å
292D95.6Very high96.2Very high23 Ų2364.6 Ų64.612%0.12332%0.315CS..Hα-helixtrans-70.4-39.2-178.7-61.2-40.1000109.8K287 R289 I290 T296K287-D292 WeakPolarHBondContact CA-OD2 3.41Å; K287-D292 HydrophobicContact CB-CB 4.21Å; K287-D292 VanDerWaalsContact O-CB 3.23Å; K287-D292 WeakPolarHBondContact O-CB 3.23Å; R289-D292 HydrophobicContact CB-CB 4.38Å; R289-D292 WeakPolarHBondContact CB-OD2 3.29Å; R289-D292 WeakPolarHBondContact CG-OD2 3.27Å; R289-D292 IonicContact CZ-OD1 3.79Å; R289-D292 IonicContact CZ-OD2 2.81Å; R289-D292 PolarHBondContact N-OD2 3.37Å; R289-D292 IonicContact NE-OD1 3.13Å; R289-D292 PolarHBondContact NE-OD1 3.01Å; R289-D292 IonicContact NE-OD2 3.21Å; R289-D292 PolarHBondContact NE-OD2 2.94Å; R289-D292 IonicContact NH2-OD1 3.3Å; R289-D292 PolarHBondContact NH2-OD1 2.84Å; R289-D292 IonicContact NH2-OD2 2.68Å; R289-D292 WeakPolarHBondContact O-CB 3.4Å; R289-D292 PolarHBondContact O-N 3.36Å; I290-D292 VanDerWaalsContact C-N 3.35Å; I290-D292 PolarHBondContact O-N 3.16Å; D292-T296 PolarHBondContact O-N 2.85Å; D292-T296 VanDerWaalsContact O-N 3.07Å; D292-T296 PolarHBondContact O-OG1 2.82Å
293Q96.5Very high96.2Very high52 Ų5263 Ų6324%0.24331%0.307CS..Hα-helixtrans-69.4-44.8175.3-67.1177.958.200112V253 R254 R288 R289 I290 L295 T296 M297V253-Q293 HydrophobicContact CG1-CB 3.6Å; V253-Q293 HydrophobicContact CG1-CG 4.35Å; R254-Q293 PolarHBondContact O-NE2 2.9Å; R288-Q293 PolarHBondContact O-NE2 3.26Å; R289-Q293 PolarHBondContact O-N 3.03Å; I290-Q293 PolarHBondContact O-N 3.3Å; Q293-L295 VanDerWaalsContact C-N 3.3Å; Q293-L295 PolarHBondContact O-N 3.18Å; Q293-T296 WeakPolarHBondContact O-CA 3.31Å; Q293-T296 WeakPolarHBondContact O-CB 3.28Å; Q293-T296 PolarHBondContact O-N 3.07Å; Q293-T296 VanDerWaalsContact O-N 3.1Å; Q293-M297 WeakPolarHBondContact O-CG 3.1Å; Q293-M297 PolarHBondContact O-N 3.42Å
294V97Very high96Very high0 Ų068.4 Ų68.40%033%0.332CS..Hα-helixtrans-61.2-40.3175.1172.30000111.1V243 V253 I290 T296 M297 Y298 I303 A308 F311 I312V243-V294 HydrophobicContact CG2-CG2 3.89Å; V253-V294 HydrophobicContact CG1-CG2 4.42Å; I290-V294 HydrophobicContact CG2-CG2 4.2Å; I290-V294 WeakPolarHBondContact O-CB 3.3Å; I290-V294 WeakPolarHBondContact O-CG2 3.36Å; I290-V294 PolarHBondContact O-N 2.81Å; V294-T296 VanDerWaalsContact C-N 3.3Å; V294-T296 PolarHBondContact O-N 3.42Å; V294-M297 PolarHBondContact O-N 3.15Å; V294-Y298 PolarHBondContact O-N 3.48Å; V294-I303 HydrophobicContact CG1-CD1 3.64Å; V294-A308 HydrophobicContact CG1-CB 4.19Å; V294-F311 HydrophobicContact CB-CB 4.29Å; V294-F311 HydrophobicContact CG1-CB 4.02Å; V294-F311 HydrophobicContact CG1-CD2 3.98Å; V294-F311 HydrophobicContact CG1-CG 4.26Å; V294-F311 HydrophobicContact CG2-CB 4.21Å; V294-F311 HydrophobicContact CG2-CD2 4.12Å; V294-F311 HydrophobicContact CG2-CG 4.02Å; V294-I312 HydrophobicContact CG1-CD1 4.12Å; V294-I312 HydrophobicContact CG1-CG1 4.34Å
295L95.7Very high95.8Very high39 Ų3965.3 Ų65.320%0.20433%0.329CS..Hα-helixtrans-60.2-42.6174176.760.1000111.2R291 Q293 Y298 Q299 I312 P318R291-L295 VanDerWaalsContact O-CB 3.29Å; R291-L295 WeakPolarHBondContact O-CB 3.33Å; R291-L295 PolarHBondContact O-N 2.81Å; Q293-L295 VanDerWaalsContact C-N 3.3Å; Q293-L295 PolarHBondContact O-N 3.18Å; L295-Y298 PolarHBondContact O-N 2.92Å; L295-Q299 HydrophobicContact CD1-CG 4.27Å; L295-Q299 WeakPolarHBondContact O-CB 3.33Å; L295-Q299 VanDerWaalsContact O-CG 3.29Å; L295-Q299 WeakPolarHBondContact O-CG 3.44Å; L295-Q299 PolarHBondContact O-N 2.64Å; L295-I312 HydrophobicContact CB-CD1 3.72Å; L295-I312 HydrophobicContact CD1-CD1 4.05Å; L295-I312 HydrophobicContact CG-CD1 4.48Å; L295-P318 HydrophobicContact CD1-CG 4.24Å
296T95.4Very high95.7Very high76 Ų7662.4 Ų62.447%0.46633%0.328SS..Hα-helixtrans-61.9-46.7175.2-55.80000110.9D292 Q293 V294 Y298 Q299 T300D292-T296 PolarHBondContact O-N 2.85Å; D292-T296 VanDerWaalsContact O-N 3.07Å; D292-T296 PolarHBondContact O-OG1 2.82Å; Q293-T296 WeakPolarHBondContact O-CA 3.31Å; Q293-T296 WeakPolarHBondContact O-CB 3.28Å; Q293-T296 PolarHBondContact O-N 3.07Å; Q293-T296 VanDerWaalsContact O-N 3.1Å; V294-T296 VanDerWaalsContact C-N 3.3Å; V294-T296 PolarHBondContact O-N 3.42Å; T296-Y298 VanDerWaalsContact C-N 3.28Å; T296-Y298 PolarHBondContact O-N 3.41Å; T296-Q299 PolarHBondContact O-N 3.05Å; T296-Q299 VanDerWaalsContact O-N 3.17Å; T296-T300 HydrophobicContact CG2-CG2 4.38Å; T296-T300 WeakPolarHBondContact O-CG2 3.4Å; T296-T300 PolarHBondContact O-N 2.65Å; T296-T300 PolarHBondContact O-OG1 3.34Å; T296-T300 VanDerWaalsContact O-OG1 3.12Å
297M96.4Very high95.7Very high15 Ų1558.6 Ų58.67%0.07431%0.31CS..Hα-helixtrans-59.4-37.6177.3-68.417273.400112.7V243 T245 Q251 V253 Q293 V294 T300 G301 S302 I303V243-M297 HydrophobicContact CB-CE 4.32Å; V243-M297 HydrophobicContact CG1-CE 4.27Å; T245-M297 HydrophobicContact CG2-CE 4.31Å; Q251-M297 HydrophobicContact CB-CE 4.05Å; Q251-M297 HydrophobicContact CG-CE 4.22Å; V253-M297 HydrophobicContact CG2-CE 4.32Å; V253-M297 HydrophobicContact CG2-SD 3.53Å; V253-M297 VanDerWaalsContact CG2-SD 3.53Å; Q293-M297 WeakPolarHBondContact O-CG 3.1Å; Q293-M297 PolarHBondContact O-N 3.42Å; V294-M297 PolarHBondContact O-N 3.15Å; M297-T300 WeakPolarHBondContact CA-OG1 3.32Å; M297-T300 PolarHBondContact O-OG1 3.04Å; M297-G301 PolarHBondContact O-N 3.17Å; M297-S302 WeakPolarHBondContact O-CB 3.18Å; M297-S302 PolarHBondContact O-N 3.48Å; M297-I303 HydrophobicContact CB-CD1 3.94Å; M297-I303 HydrophobicContact CB-CG1 4.07Å; M297-I303 HydrophobicContact CB-CG2 4.21Å; M297-I303 HydrophobicContact CE-CG2 3.7Å
298Y95.6Very high95.6Very high73 Ų7351 Ų5129%0.28628%0.277SS..Hα-helixtrans-67.1-48.1174.5172.1-115.4000111.1V294 L295 T296 T300 G301 A305 A308 F317 P318V294-Y298 PolarHBondContact O-N 3.48Å; L295-Y298 PolarHBondContact O-N 2.92Å; T296-Y298 VanDerWaalsContact C-N 3.28Å; T296-Y298 PolarHBondContact O-N 3.41Å; Y298-T300 VanDerWaalsContact C-N 3.25Å; Y298-T300 PolarHBondContact O-N 3.35Å; Y298-G301 PolarHBondContact O-N 3.03Å; Y298-A305 HydrophobicContact CD2-CB 4.44Å; Y298-A305 HydrophobicContact CE2-CB 3.64Å; Y298-A308 HydrophobicContact CD2-CB 4.25Å; Y298-A308 HydrophobicContact CG-CB 4.12Å; Y298-F317 HydrophobicContact CD1-CD1 4.27Å; Y298-F317 HydrophobicContact CD1-CE1 4.21Å; Y298-F317 AromaticContact CE1-CD1 3.91Å; Y298-F317 HydrophobicContact CE1-CD1 3.91Å; Y298-F317 HydrophobicContact CE1-CE1 4.12Å; Y298-P318 HydrophobicContact CD1-CG 4.43Å; Y298-P318 HydrophobicContact CE1-CG 4.1Å
299Q94.8Very high95.6Very high118 Ų11851.2 Ų51.255%0.55129%0.29SS*.Hα-helixtrans-62.8-30.3179.1-72.4174.2-18.600113L295 T296 G301 P318L295-Q299 HydrophobicContact CD1-CG 4.27Å; L295-Q299 WeakPolarHBondContact O-CB 3.33Å; L295-Q299 VanDerWaalsContact O-CG 3.29Å; L295-Q299 WeakPolarHBondContact O-CG 3.44Å; L295-Q299 PolarHBondContact O-N 2.64Å; T296-Q299 PolarHBondContact O-N 3.05Å; T296-Q299 VanDerWaalsContact O-N 3.17Å; Q299-G301 VanDerWaalsContact C-N 3.33Å; Q299-P318 HydrophobicContact CG-CG 4.39Å
300T95.3Very high95.4Very high95 Ų9554.5 Ų54.558%0.58331%0.311SS*.THydrogen-bonded Turntrans-85.5-1.3175.5590000113.8T296 M297 Y298 S302T296-T300 HydrophobicContact CG2-CG2 4.38Å; T296-T300 WeakPolarHBondContact O-CG2 3.4Å; T296-T300 PolarHBondContact O-N 2.65Å; T296-T300 PolarHBondContact O-OG1 3.34Å; T296-T300 VanDerWaalsContact O-OG1 3.12Å; M297-T300 WeakPolarHBondContact CA-OG1 3.32Å; M297-T300 PolarHBondContact O-OG1 3.04Å; Y298-T300 VanDerWaalsContact C-N 3.25Å; Y298-T300 PolarHBondContact O-N 3.35Å; T300-S302 VanDerWaalsContact C-N 3.35Å; T300-S302 PolarHBondContact OG1-OG 3.23Å
301G94.9Very high95.3Very high49 Ų4956.3 Ų56.351%0.50532%0.318SS..THydrogen-bonded Turntrans7519.7178.700000114.8N246 M297 Y298 Q299N246-G301 PolarHBondContact ND2-O 3.2Å; M297-G301 PolarHBondContact O-N 3.17Å; Y298-G301 PolarHBondContact O-N 3.03Å; Q299-G301 VanDerWaalsContact C-N 3.33Å
302S95.1Very high95.2Very high47 Ų4752.8 Ų52.833%0.32931%0.306SS..SBendtrans-81.3-22179.3-53.50000112.9N246 M297 T300N246-S302 PolarHBondContact N-O 3Å; M297-S302 WeakPolarHBondContact O-CB 3.18Å; M297-S302 PolarHBondContact O-N 3.48Å; T300-S302 VanDerWaalsContact C-N 3.35Å; T300-S302 PolarHBondContact OG1-OG 3.23Å
303I96.6Very high94.8Very high4 Ų454.4 Ų54.42%0.02132%0.317CS..SBendtrans-137.1153.8-179.367.4176000111.2V243 R244 T245 N246 V294 M297 A308V243-I303 HydrophobicContact CG1-CD1 4.05Å; V243-I303 HydrophobicContact CG1-CG2 3.84Å; R244-I303 VanDerWaalsContact O-CG2 3.31Å; R244-I303 WeakPolarHBondContact O-CG2 3.47Å; T245-I303 HydrophobicContact CG2-CG2 4.37Å; N246-I303 VanDerWaalsContact OD1-C 3.23Å; N246-I303 VanDerWaalsContact OD1-CA 3.28Å; N246-I303 WeakPolarHBondContact OD1-CA 3.29Å; V294-I303 HydrophobicContact CG1-CD1 3.64Å; M297-I303 HydrophobicContact CB-CD1 3.94Å; M297-I303 HydrophobicContact CB-CG1 4.07Å; M297-I303 HydrophobicContact CB-CG2 4.21Å; M297-I303 HydrophobicContact CE-CG2 3.7Å; I303-A308 HydrophobicContact CD1-CB 3.88Å; I303-A308 HydrophobicContact CG1-CB 4.48Å
304E94.5Very high94.2Very high114 Ų11456.4 Ų56.453%0.53334%0.343SS..  trans-72.6155.1173.5-70.3-58.4151.300112.4N246 S306 E307 A308N246-E304 WeakPolarHBondContact OD1-CG 3.31Å; N246-E304 PolarHBondContact OD1-N 3.3Å; E304-S306 PolarHBondContact O-N 2.99Å; E304-E307 PolarHBondContact O-N 2.97Å; E304-A308 PolarHBondContact O-N 3.2Å; E304-A308 VanDerWaalsContact O-N 3.07Å
305A93.4Very high93.7Very high41 Ų4160.2 Ų60.234%0.33938%0.382SS..Hα-helixtrans-58.7-34.7175.900000112.9Y298 E307 A308 A309Y298-A305 HydrophobicContact CD2-CB 4.44Å; Y298-A305 HydrophobicContact CE2-CB 3.64Å; A305-E307 VanDerWaalsContact C-N 3.35Å; A305-A308 PolarHBondContact O-N 2.94Å; A305-A309 WeakPolarHBondContact O-CB 3.37Å; A305-A309 PolarHBondContact O-N 3.23Å
306S94.5Very high93Very high90 Ų9062.8 Ų62.863%0.62939%0.393SS*.Hα-helixtrans-65.8-36.4179540000112.7E304E304-S306 PolarHBondContact O-N 2.99Å
307E95.9Very high92.4Very high31 Ų3161.4 Ų61.415%0.14538%0.381CS..Hα-helixtrans-72.6-46174.9-17671.9-175.400110.3V243 R244 E304 A305 A309 L310 F311V243-E307 HydrophobicContact CG1-CG 3.64Å; R244-E307 HydrophobicContact CB-CG 4.14Å; R244-E307 PolarHBondContact N-OE1 3.13Å; E304-E307 PolarHBondContact O-N 2.97Å; A305-E307 VanDerWaalsContact C-N 3.35Å; E307-A309 PolarHBondContact O-N 3.01Å; E307-L310 WeakPolarHBondContact O-CB 3.41Å; E307-L310 WeakPolarHBondContact O-CG 3.45Å; E307-L310 PolarHBondContact O-N 3.13Å; E307-L310 VanDerWaalsContact O-N 3.09Å; E307-F311 WeakPolarHBondContact O-CD2 3.41Å
308A95.5Very high91.5Very high0 Ų063.5 Ų63.50%040%0.396CS..Hα-helixtrans-57.1-34.8177.200000112.2V294 Y298 I303 E304 A305 L310 F311 I312 F317V294-A308 HydrophobicContact CG1-CB 4.19Å; Y298-A308 HydrophobicContact CD2-CB 4.25Å; Y298-A308 HydrophobicContact CG-CB 4.12Å; I303-A308 HydrophobicContact CD1-CB 3.88Å; I303-A308 HydrophobicContact CG1-CB 4.48Å; E304-A308 PolarHBondContact O-N 3.2Å; E304-A308 VanDerWaalsContact O-N 3.07Å; A305-A308 PolarHBondContact O-N 2.94Å; A308-L310 PolarHBondContact O-N 2.88Å; A308-F311 PolarHBondContact O-N 3.19Å; A308-I312 HydrophobicContact CB-CD1 4.23Å; A308-I312 PolarHBondContact O-N 3.44Å; A308-F317 HydrophobicContact CB-CE1 3.88Å; A308-F317 HydrophobicContact CB-CZ 3.86Å
309A94.9Very high90.2Very high56 Ų5673.2 Ų73.246%0.46344%0.439SS..THydrogen-bonded Turntrans-67.4-15-178.500000113.6A305 E307 F311 F317A305-A309 WeakPolarHBondContact O-CB 3.37Å; A305-A309 PolarHBondContact O-N 3.23Å; E307-A309 PolarHBondContact O-N 3.01Å; A309-F311 VanDerWaalsContact C-N 3.27Å; A309-F317 HydrophobicContact CB-CE2 4.14Å; A309-F317 HydrophobicContact CB-CZ 3.96Å
310L94.4Very high90Very high126 Ų12671 Ų7166%0.6643%0.434SS*.THydrogen-bonded Turntrans-72.1-22.2172.5-58.2177.1000112.4E307 A308E307-L310 WeakPolarHBondContact O-CB 3.41Å; E307-L310 WeakPolarHBondContact O-CG 3.45Å; E307-L310 PolarHBondContact O-N 3.13Å; E307-L310 VanDerWaalsContact O-N 3.09Å; A308-L310 PolarHBondContact O-N 2.88Å
311F94.4Very high89.7Confident52 Ų5269.7 Ų69.723%0.22843%0.426CS..THydrogen-bonded Turntrans-116.2-24.8-174.3-56.7-87000113.6V241 V243 I290 V294 E307 A308 A309V241-F311 HydrophobicContact CB-CE1 4.01Å; V241-F311 HydrophobicContact CG1-CE1 4.2Å; V241-F311 HydrophobicContact CG2-CD1 4.45Å; V241-F311 HydrophobicContact CG2-CE1 3.72Å; V241-F311 HydrophobicContact CG2-CZ 4.27Å; V243-F311 HydrophobicContact CG1-CE2 4.38Å; V243-F311 HydrophobicContact CG2-CE2 3.97Å; V243-F311 HydrophobicContact CG2-CZ 3.93Å; I290-F311 HydrophobicContact CG2-CD1 3.89Å; I290-F311 HydrophobicContact CG2-CE1 4.38Å; V294-F311 HydrophobicContact CB-CB 4.29Å; V294-F311 HydrophobicContact CG1-CB 4.02Å; V294-F311 HydrophobicContact CG1-CD2 3.98Å; V294-F311 HydrophobicContact CG1-CG 4.26Å; V294-F311 HydrophobicContact CG2-CB 4.21Å; V294-F311 HydrophobicContact CG2-CD2 4.12Å; V294-F311 HydrophobicContact CG2-CG 4.02Å; E307-F311 WeakPolarHBondContact O-CD2 3.41Å; A308-F311 PolarHBondContact O-N 3.19Å; A309-F311 VanDerWaalsContact C-N 3.27Å
312I92.2Very high89.4Confident8 Ų870.8 Ų70.84%0.04142%0.421CS..SBendtrans-110.7124-173.7-55171.2000109.6V294 L295 A308 E316 F317V294-I312 HydrophobicContact CG1-CD1 4.12Å; V294-I312 HydrophobicContact CG1-CG1 4.34Å; L295-I312 HydrophobicContact CB-CD1 3.72Å; L295-I312 HydrophobicContact CD1-CD1 4.05Å; L295-I312 HydrophobicContact CG-CD1 4.48Å; A308-I312 HydrophobicContact CB-CD1 4.23Å; A308-I312 PolarHBondContact O-N 3.44Å; I312-E316 HydrophobicContact CG2-CB 3.74Å; I312-F317 HydrophobicContact CB-CD2 4.36Å; I312-F317 HydrophobicContact CB-CE2 3.78Å; I312-F317 HydrophobicContact CB-CZ 4.07Å; I312-F317 HydrophobicContact CD1-CZ 4.39Å; I312-F317 HydrophobicContact CG2-CD2 3.97Å; I312-F317 HydrophobicContact CG2-CE2 3.91Å; I312-F317 HydrophobicContact CG2-CZ 4.46Å; I312-F317 WeakPolarHBondContact O-CE2 3.33Å
313P88.6Confident89.1Confident56 Ų5672.2 Ų72.236%0.36443%0.427SS..  trans-58.9143.5172.3-23.133.9000111.9G315 E316P313-G315 PolarHBondContact O-N 2.62Å; P313-E316 PolarHBondContact O-N 3.38Å
314A84.1Confident88.6Confident94 Ų9476.5 Ų76.578%0.77745%0.452SS*.G310 helixtrans-52.8-31.3-174.700000114.9E316A314-E316 VanDerWaalsContact C-N 3.31Å; A314-E316 PolarHBondContact O-N 2.85Å
315G84.6Confident88.2Confident81 Ų8174 Ų7484%0.83545%0.447SS*.G310 helixtrans-76.9-10.2178.700000115.4P313P313-G315 PolarHBondContact O-N 2.62Å
316E83Confident87.8Confident93 Ų9376.4 Ų76.444%0.43546%0.455SS..G310 helixtrans-100.6-3.3-178.8-68.6178.6-148.100112.6R291 I312 P313 A314R291-E316 IonicContact NH1-OE1 3.49Å; R291-E316 PolarHBondContact NH1-OE1 3.38Å; R291-E316 IonicContact NH1-OE2 3.32Å; R291-E316 PolarHBondContact NH1-OE2 2.89Å; I312-E316 HydrophobicContact CG2-CB 3.74Å; P313-E316 PolarHBondContact O-N 3.38Å; A314-E316 VanDerWaalsContact C-N 3.31Å; A314-E316 PolarHBondContact O-N 2.85Å
317F82.6Confident87.3Confident47 Ų4775.3 Ų75.321%0.20644%0.441CS..SBendtrans-67.6136.1173.5-87-89.5000111.2Y298 A308 A309 I312 K319Y298-F317 HydrophobicContact CD1-CD1 4.27Å; Y298-F317 HydrophobicContact CD1-CE1 4.21Å; Y298-F317 AromaticContact CE1-CD1 3.91Å; Y298-F317 HydrophobicContact CE1-CD1 3.91Å; Y298-F317 HydrophobicContact CE1-CE1 4.12Å; A308-F317 HydrophobicContact CB-CE1 3.88Å; A308-F317 HydrophobicContact CB-CZ 3.86Å; A309-F317 HydrophobicContact CB-CE2 4.14Å; A309-F317 HydrophobicContact CB-CZ 3.96Å; I312-F317 HydrophobicContact CB-CD2 4.36Å; I312-F317 HydrophobicContact CB-CE2 3.78Å; I312-F317 HydrophobicContact CB-CZ 4.07Å; I312-F317 HydrophobicContact CD1-CZ 4.39Å; I312-F317 HydrophobicContact CG2-CD2 3.97Å; I312-F317 HydrophobicContact CG2-CE2 3.91Å; I312-F317 HydrophobicContact CG2-CZ 4.46Å; I312-F317 WeakPolarHBondContact O-CE2 3.33Å; F317-K319 PolarHBondContact O-N 2.98Å
318P76.3Confident86.6Confident59 Ų5979 Ų7938%0.38347%0.466SS..  trans-61.4130.5169.925.2-30.3000108.6L295 Y298 Q299L295-P318 HydrophobicContact CD1-CG 4.24Å; Y298-P318 HydrophobicContact CD1-CG 4.43Å; Y298-P318 HydrophobicContact CE1-CG 4.1Å; Q299-P318 HydrophobicContact CG-CG 4.39Å
319K68.5Low85.8Confident276 Ų27686.2 Ų86.2100%1.251%0.508SS*.  trans-71.10176.9-69.7-174.6179-1790112F317F317-K319 PolarHBondContact O-N 2.98Å

Retrieved 319 of 319 residues in 119.3 ms (Link to these results)

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