A0A3Q0KE53_SCHMA Loading...

Proteasome subunit alpha type

AlphaFold DB , UniProt , Accession A0A3Q0KE53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 254 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
1M61.9Low71.9Confident197 Ų197103.2 Ų103.297%0.9750%0.495SS*.  0124.20-163.6171.8-152.700106.7Y8 P17M1-Y8 WeakPolarHBondContact CG-OH 3.05Å; M1-P17 HydrophobicContact CE-CB 3.74Å; M1-P17 HydrophobicContact CE-CG 3.71Å
2F60.7Low72.9Confident101 Ų10197 Ų9744%0.44347%0.468SS..  trans-66147.8179.2-71.3-63.3000111.1E7 Y8 T14F2-E7 WeakPolarHBondContact CA-OE2 3.19Å; F2-E7 HydrophobicContact CB-CB 3.54Å; F2-E7 HydrophobicContact CB-CG 4.44Å; F2-E7 WeakPolarHBondContact CB-OE2 3.43Å; F2-E7 HydrophobicContact CD1-CB 3.58Å; F2-E7 HydrophobicContact CD1-CG 4.19Å; F2-E7 VanDerWaalsContact CD1-OE2 3.3Å; F2-E7 WeakPolarHBondContact CD1-OE2 3.46Å; F2-E7 HydrophobicContact CD2-CB 4.22Å; F2-E7 HydrophobicContact CE1-CB 4.32Å; F2-E7 HydrophobicContact CG-CB 3.52Å; F2-Y8 HydrophobicContact CB-CD2 4.12Å; F2-Y8 HydrophobicContact CB-CE1 4.21Å; F2-Y8 HydrophobicContact CB-CE2 3.62Å; F2-Y8 AromaticContact CD2-CD1 3.72Å; F2-Y8 HydrophobicContact CD2-CD1 3.72Å; F2-Y8 HydrophobicContact CD2-CD2 4.47Å; F2-Y8 AromaticContact CD2-CE1 3.64Å; F2-Y8 HydrophobicContact CD2-CE1 3.64Å; F2-Y8 HydrophobicContact CD2-CE2 4.42Å; F2-Y8 HydrophobicContact CD2-CG 4.14Å; F2-Y8 AromaticContact CD2-CZ 3.99Å; F2-Y8 HydrophobicContact CE2-CD1 4.47Å; F2-Y8 HydrophobicContact CG-CE1 4.42Å; F2-Y8 PolarHBondContact N-OH 3Å; F2-Y8 PolarHBondContact O-OH 2.97Å; F2-T14 HydrophobicContact CE2-CG2 4.12Å
3L62.8Low73.7Confident167 Ų16795.8 Ų95.887%0.87447%0.466SS*.SBendtrans-82.7-27-171.6-72.1170.8000112.3E7L3-E7 PolarHBondContact N-OE2 3.35Å
4T63.3Low74.7Confident69 Ų6992.4 Ų92.442%0.42345%0.453SS..SBendtrans-124.9153.6-179.965.60000111.7T6 E7T4-T6 PolarHBondContact O-N 3.04Å; T4-T6 PolarHBondContact OG1-OG1 3.38Å; T4-T6 VanDerWaalsContact OG1-OG1 3.04Å; T4-E7 PolarHBondContact O-N 3.18Å
5R66.1Low75.7Confident184 Ų18494.5 Ų94.569%0.69446%0.46SS*.Hα-helixtrans-57.2-33.9176.5-78.7-176.9165.6179-4.1112.7E7 Y8 E18R5-E7 PolarHBondContact O-N 3.24Å; R5-Y8 PolarHBondContact O-N 3.22Å; R5-E18 IonicContact NH2-OE1 3.83Å
6T68.5Low76.6Confident89 Ų8989 Ų8955%0.54643%0.434SS..Hα-helixtrans-75.98.3-178.363.40000114.3T4 D9T4-T6 PolarHBondContact O-N 3.04Å; T4-T6 PolarHBondContact OG1-OG1 3.38Å; T4-T6 VanDerWaalsContact OG1-OG1 3.04Å; T6-D9 WeakPolarHBondContact CA-OD2 3.3Å
7E77.7Confident77.4Confident54 Ų5487.8 Ų87.825%0.25243%0.434SS..Hα-helixtrans-102.4-24.6173.2-76.7-179157.500111.2F2 L3 T4 R5 D9F2-E7 WeakPolarHBondContact CA-OE2 3.19Å; F2-E7 HydrophobicContact CB-CB 3.54Å; F2-E7 HydrophobicContact CB-CG 4.44Å; F2-E7 WeakPolarHBondContact CB-OE2 3.43Å; F2-E7 HydrophobicContact CD1-CB 3.58Å; F2-E7 HydrophobicContact CD1-CG 4.19Å; F2-E7 VanDerWaalsContact CD1-OE2 3.3Å; F2-E7 WeakPolarHBondContact CD1-OE2 3.46Å; F2-E7 HydrophobicContact CD2-CB 4.22Å; F2-E7 HydrophobicContact CE1-CB 4.32Å; F2-E7 HydrophobicContact CG-CB 3.52Å; L3-E7 PolarHBondContact N-OE2 3.35Å; T4-E7 PolarHBondContact O-N 3.18Å; R5-E7 PolarHBondContact O-N 3.24Å; E7-D9 VanDerWaalsContact C-N 3.31Å
8Y81.8Confident78.1Confident21 Ų2188.6 Ų88.68%0.08244%0.436CS..Hα-helixtrans-75.7-20.3175.8-66.5-81.8000112.8M1 F2 R5 R10 T14 F15 P17M1-Y8 WeakPolarHBondContact CG-OH 3.05Å; F2-Y8 HydrophobicContact CB-CD2 4.12Å; F2-Y8 HydrophobicContact CB-CE1 4.21Å; F2-Y8 HydrophobicContact CB-CE2 3.62Å; F2-Y8 AromaticContact CD2-CD1 3.72Å; F2-Y8 HydrophobicContact CD2-CD1 3.72Å; F2-Y8 HydrophobicContact CD2-CD2 4.47Å; F2-Y8 AromaticContact CD2-CE1 3.64Å; F2-Y8 HydrophobicContact CD2-CE1 3.64Å; F2-Y8 HydrophobicContact CD2-CE2 4.42Å; F2-Y8 HydrophobicContact CD2-CG 4.14Å; F2-Y8 AromaticContact CD2-CZ 3.99Å; F2-Y8 HydrophobicContact CE2-CD1 4.47Å; F2-Y8 HydrophobicContact CG-CE1 4.42Å; F2-Y8 PolarHBondContact N-OH 3Å; F2-Y8 PolarHBondContact O-OH 2.97Å; R5-Y8 PolarHBondContact O-N 3.22Å; Y8-R10 VanDerWaalsContact C-N 3.27Å; Y8-R10 PolarHBondContact O-N 2.69Å; Y8-T14 HydrophobicContact CD1-CG2 4.05Å; Y8-F15 VanDerWaalsContact CD1-O 3.27Å; Y8-F15 WeakPolarHBondContact CD1-O 3.4Å; Y8-P17 HydrophobicContact CD2-CG 4.49Å; Y8-P17 HydrophobicContact CE1-CG 4.09Å; Y8-P17 HydrophobicContact CE2-CG 3.73Å
9D82.6Confident78.8Confident33 Ų3386.5 Ų86.518%0.17644%0.441CS..THydrogen-bonded Turntrans-77.9-8.8177.160.110.8000113.2T6 E7 F22 Q23 Y26T6-D9 WeakPolarHBondContact CA-OD2 3.3Å; E7-D9 VanDerWaalsContact C-N 3.31Å; D9-F22 HydrophobicContact CB-CB 4.09Å; D9-F22 HydrophobicContact CB-CD2 4.14Å; D9-Q23 WeakPolarHBondContact O-CG 3.45Å; D9-Q23 PolarHBondContact O-NE2 3.47Å; D9-Y26 HydrophobicContact CB-CE2 3.93Å
10R82.4Confident79.5Confident197 Ų19788.1 Ų88.174%0.74344%0.441SS*.THydrogen-bonded Turntrans-75.1-30-176.5-66.7-174.1176.5-176.2-0.4113.9Y8Y8-R10 VanDerWaalsContact C-N 3.27Å; Y8-R10 PolarHBondContact O-N 2.69Å
11G82.9Confident80.1Confident23 Ų2385.9 Ų85.924%0.23743%0.43CS..  trans-103.4131.1-178.600000111.2N13 T14G11-N13 PolarHBondContact O-N 2.88Å; G11-T14 PolarHBondContact O-N 2.88Å
12V84.1Confident81.6Confident29 Ų2977.5 Ų77.518%0.17639%0.389CS..THydrogen-bonded Turntrans-64.8-27.7176.8-64.40000112.8Q23 F123 S134 R135V12-Q23 HydrophobicContact CB-CB 4.47Å; V12-Q23 HydrophobicContact CG1-CB 4.13Å; V12-Q23 HydrophobicContact CG1-CG 4.01Å; V12-F123 HydrophobicContact CB-CD2 4.08Å; V12-F123 HydrophobicContact CB-CE2 4.35Å; V12-F123 HydrophobicContact CG2-CD2 4.23Å; V12-S134 WeakPolarHBondContact CG1-O 3.42Å; V12-R135 HydrophobicContact CG1-CB 4.39Å
13N83.8Confident83.1Confident81 Ų8175.3 Ų75.343%0.43338%0.38SS..THydrogen-bonded Turntrans-108.314.3-179.7-63.6-13.6000112.8G11 G124G11-N13 PolarHBondContact O-N 2.88Å; N13-G124 PolarHBondContact ND2-O 3.42Å; N13-G124 VanDerWaalsContact ND2-O 3.09Å
14T87.7Confident84.6Confident48 Ų4868 Ų6829%0.29434%0.342SS..  trans-94.9113.4-179-61.10000110.5F2 Y8 G11F2-T14 HydrophobicContact CE2-CG2 4.12Å; Y8-T14 HydrophobicContact CD1-CG2 4.05Å; G11-T14 PolarHBondContact O-N 2.88Å
15F89.4Confident86.1Confident125 Ų12567.3 Ų67.355%0.54833%0.334SS..  trans-72.7138.1173.3-76.2-88.6000111.7Y8 R20 L21Y8-F15 VanDerWaalsContact CD1-O 3.27Å; Y8-F15 WeakPolarHBondContact CD1-O 3.4Å; F15-R20 WeakPolarHBondContact CA-O 3.27Å; F15-L21 HydrophobicContact CD1-CD2 4.04Å; F15-L21 HydrophobicContact CD1-CG 4.1Å; F15-L21 HydrophobicContact CD2-CD2 4.03Å; F15-L21 HydrophobicContact CE1-CD1 4.18Å; F15-L21 HydrophobicContact CE1-CD2 4.06Å; F15-L21 HydrophobicContact CE1-CG 3.79Å; F15-L21 HydrophobicContact CE2-CD2 4.03Å; F15-L21 HydrophobicContact CE2-CG 4.49Å; F15-L21 HydrophobicContact CG-CD2 4.03Å; F15-L21 HydrophobicContact CZ-CD1 3.99Å; F15-L21 HydrophobicContact CZ-CD2 4.05Å; F15-L21 HydrophobicContact CZ-CG 4.01Å
16S89.9Confident87.5Confident6 Ų663.9 Ų63.94%0.04232%0.322CS..  trans-70.3164.8167.491.50000111.4E18 G19 R20 F22S16-E18 WeakPolarHBondContact CB-OE2 3.36Å; S16-E18 PolarHBondContact O-N 3.11Å; S16-E18 VanDerWaalsContact O-N 3.11Å; S16-E18 PolarHBondContact OG-N 3.37Å; S16-E18 VanDerWaalsContact OG-N 3.17Å; S16-E18 PolarHBondContact OG-OE2 3.28Å; S16-G19 PolarHBondContact O-N 3.31Å; S16-R20 PolarHBondContact N-O 2.71Å; S16-R20 PolarHBondContact OG-N 3.17Å; S16-F22 VanDerWaalsContact CB-CZ 3.41Å
17P90Very high88.8Confident69 Ų6960.2 Ų60.245%0.44830%0.3SS..THydrogen-bonded Turntrans-57.5-23.3173.2-25.737.2000113.9M1 Y8 G19M1-P17 HydrophobicContact CE-CB 3.74Å; M1-P17 HydrophobicContact CE-CG 3.71Å; Y8-P17 HydrophobicContact CD2-CG 4.49Å; Y8-P17 HydrophobicContact CE1-CG 4.09Å; Y8-P17 HydrophobicContact CE2-CG 3.73Å; P17-G19 VanDerWaalsContact C-N 3.34Å
18E91Very high89.7Confident101 Ų10159.9 Ų59.947%0.47230%0.3SS..THydrogen-bonded Turntrans-87.72.4175.4-54.282.6-177.500113.6R5 S16 R20R5-E18 IonicContact NH2-OE1 3.83Å; S16-E18 WeakPolarHBondContact CB-OE2 3.36Å; S16-E18 PolarHBondContact O-N 3.11Å; S16-E18 VanDerWaalsContact O-N 3.11Å; S16-E18 PolarHBondContact OG-N 3.37Å; S16-E18 VanDerWaalsContact OG-N 3.17Å; S16-E18 PolarHBondContact OG-OE2 3.28Å; E18-R20 HydrophobicContact CB-CG 4.48Å
19G91.1Very high90.4Very high50 Ų5063.6 Ų63.652%0.51532%0.318SS..SBendtrans79.926.3178.800000114.6S16 P17S16-G19 PolarHBondContact O-N 3.31Å; P17-G19 VanDerWaalsContact C-N 3.34Å
20R92.5Very high91.1Very high118 Ų11863.4 Ų63.445%0.44532%0.321SS..  trans-105.1151.9-177.6-63.4170.567.5-176.45.2112.4F15 S16 E18 F22 E25F15-R20 WeakPolarHBondContact CA-O 3.27Å; S16-R20 PolarHBondContact N-O 2.71Å; S16-R20 PolarHBondContact OG-N 3.17Å; E18-R20 HydrophobicContact CB-CG 4.48Å; R20-F22 HydrophobicContact CB-CD1 4.16Å; R20-F22 HydrophobicContact CB-CE1 3.84Å; R20-E25 IonicContact CZ-OE1 3.42Å; R20-E25 IonicContact CZ-OE2 3.83Å; R20-E25 VanDerWaalsContact CZ-OE2 3.26Å; R20-E25 IonicContact NE-OE1 3.96Å; R20-E25 PolarHBondContact NE-OE1 2.72Å; R20-E25 IonicContact NE-OE2 3.72Å; R20-E25 PolarHBondContact NE-OE2 3.21Å; R20-E25 VanDerWaalsContact NH2-CD 3.26Å; R20-E25 IonicContact NH2-OE1 3.51Å; R20-E25 PolarHBondContact NH2-OE1 3.27Å; R20-E25 IonicContact NH2-OE2 2.98Å; R20-E25 PolarHBondContact NH2-OE2 2.92Å
21L91.7Very high91.8Very high42 Ų4254.6 Ų54.622%0.2229%0.289CS..  trans-108.794.5170.6-69.5175000109.6F15 Q23 V24 E25F15-L21 HydrophobicContact CD1-CD2 4.04Å; F15-L21 HydrophobicContact CD1-CG 4.1Å; F15-L21 HydrophobicContact CD2-CD2 4.03Å; F15-L21 HydrophobicContact CE1-CD1 4.18Å; F15-L21 HydrophobicContact CE1-CD2 4.06Å; F15-L21 HydrophobicContact CE1-CG 3.79Å; F15-L21 HydrophobicContact CE2-CD2 4.03Å; F15-L21 HydrophobicContact CE2-CG 4.49Å; F15-L21 HydrophobicContact CG-CD2 4.03Å; F15-L21 HydrophobicContact CZ-CD1 3.99Å; F15-L21 HydrophobicContact CZ-CD2 4.05Å; F15-L21 HydrophobicContact CZ-CG 4.01Å; L21-Q23 VanDerWaalsContact C-N 3.3Å; L21-Q23 PolarHBondContact O-N 3.48Å; L21-V24 HydrophobicContact CB-CB 4.2Å; L21-V24 HydrophobicContact CB-CG2 3.97Å; L21-V24 HydrophobicContact CD1-CG2 4.28Å; L21-V24 PolarHBondContact O-N 3.46Å; L21-V24 VanDerWaalsContact O-N 3.14Å; L21-E25 PolarHBondContact O-N 3.27Å
22F93.2Very high92.4Very high21 Ų2157 Ų579%0.09229%0.293CS..Hα-helixtrans-62.9-33-172.1-63.7-38.7000113.7D9 S16 R20 V24 E25 Y26D9-F22 HydrophobicContact CB-CB 4.09Å; D9-F22 HydrophobicContact CB-CD2 4.14Å; S16-F22 VanDerWaalsContact CB-CZ 3.41Å; R20-F22 HydrophobicContact CB-CD1 4.16Å; R20-F22 HydrophobicContact CB-CE1 3.84Å; F22-V24 VanDerWaalsContact C-N 3.32Å; F22-V24 PolarHBondContact O-N 3.42Å; F22-E25 PolarHBondContact O-N 3.24Å; F22-Y26 HydrophobicContact CB-CE2 4.17Å; F22-Y26 WeakPolarHBondContact O-CD2 3.43Å; F22-Y26 PolarHBondContact O-N 2.85Å
23Q92.7Very high93Very high55 Ų5562 Ų6226%0.25732%0.318SS..Hα-helixtrans-64.9-35.3177-72.5-62.6-39.100112.8D9 V12 L21 A27 P136D9-Q23 WeakPolarHBondContact O-CG 3.45Å; D9-Q23 PolarHBondContact O-NE2 3.47Å; V12-Q23 HydrophobicContact CB-CB 4.47Å; V12-Q23 HydrophobicContact CG1-CB 4.13Å; V12-Q23 HydrophobicContact CG1-CG 4.01Å; L21-Q23 VanDerWaalsContact C-N 3.3Å; L21-Q23 PolarHBondContact O-N 3.48Å; Q23-A27 WeakPolarHBondContact O-CB 3.46Å; Q23-A27 PolarHBondContact O-N 3.21Å; Q23-P136 HydrophobicContact CB-CG 4.49Å
24V93.9Very high93.5Very high14 Ų1458.4 Ų58.49%0.08530%0.301CS..Hα-helixtrans-68-43.1174.2176.90000110.2L21 F22 Y26 A27 I28 F123 P136L21-V24 HydrophobicContact CB-CB 4.2Å; L21-V24 HydrophobicContact CB-CG2 3.97Å; L21-V24 HydrophobicContact CD1-CG2 4.28Å; L21-V24 PolarHBondContact O-N 3.46Å; L21-V24 VanDerWaalsContact O-N 3.14Å; F22-V24 VanDerWaalsContact C-N 3.32Å; F22-V24 PolarHBondContact O-N 3.42Å; V24-Y26 PolarHBondContact O-N 2.72Å; V24-A27 WeakPolarHBondContact O-CB 3.43Å; V24-A27 PolarHBondContact O-N 3.32Å; V24-I28 HydrophobicContact CG1-CD1 4.14Å; V24-I28 WeakPolarHBondContact O-CG1 3.45Å; V24-I28 PolarHBondContact O-N 3.48Å; V24-F123 HydrophobicContact CG2-CE1 4.33Å; V24-F123 HydrophobicContact CG2-CE2 4.27Å; V24-F123 HydrophobicContact CG2-CZ 3.59Å; V24-P136 HydrophobicContact CG2-CG 3.85Å
25E95.4Very high94Very high53 Ų5356.3 Ų56.325%0.24829%0.288CS..Hα-helixtrans-64.4-40.5177.7-64176.8178.400112.2R20 L21 F22 A27 I28 E29R20-E25 IonicContact CZ-OE1 3.42Å; R20-E25 IonicContact CZ-OE2 3.83Å; R20-E25 VanDerWaalsContact CZ-OE2 3.26Å; R20-E25 IonicContact NE-OE1 3.96Å; R20-E25 PolarHBondContact NE-OE1 2.72Å; R20-E25 IonicContact NE-OE2 3.72Å; R20-E25 PolarHBondContact NE-OE2 3.21Å; R20-E25 VanDerWaalsContact NH2-CD 3.26Å; R20-E25 IonicContact NH2-OE1 3.51Å; R20-E25 PolarHBondContact NH2-OE1 3.27Å; R20-E25 IonicContact NH2-OE2 2.98Å; R20-E25 PolarHBondContact NH2-OE2 2.92Å; L21-E25 PolarHBondContact O-N 3.27Å; F22-E25 PolarHBondContact O-N 3.24Å; E25-A27 VanDerWaalsContact C-N 3.31Å; E25-A27 PolarHBondContact O-N 2.88Å; E25-I28 WeakPolarHBondContact O-CB 3.42Å; E25-I28 PolarHBondContact O-N 3.34Å; E25-E29 WeakPolarHBondContact O-CG 3.39Å; E25-E29 PolarHBondContact O-N 2.6Å
26Y95.4Very high94.4Very high113 Ų11350.3 Ų50.344%0.44326%0.261SS..Hα-helixtrans-64-37.5174-63.1-22.2000112.1D9 F22 V24 E29 A30D9-Y26 HydrophobicContact CB-CE2 3.93Å; F22-Y26 HydrophobicContact CB-CE2 4.17Å; F22-Y26 WeakPolarHBondContact O-CD2 3.43Å; F22-Y26 PolarHBondContact O-N 2.85Å; V24-Y26 PolarHBondContact O-N 2.72Å; Y26-E29 PolarHBondContact O-N 2.71Å; Y26-A30 WeakPolarHBondContact O-CB 3.46Å; Y26-A30 PolarHBondContact O-N 2.87Å
27A96Very high94.8Very high11 Ų1150 Ų509%0.09126%0.259CS..Hα-helixtrans-64.5-41.5173.200000111.5Q23 V24 E25 A30 T31 P136 P158Q23-A27 WeakPolarHBondContact O-CB 3.46Å; Q23-A27 PolarHBondContact O-N 3.21Å; V24-A27 WeakPolarHBondContact O-CB 3.43Å; V24-A27 PolarHBondContact O-N 3.32Å; E25-A27 VanDerWaalsContact C-N 3.31Å; E25-A27 PolarHBondContact O-N 2.88Å; A27-A30 WeakPolarHBondContact O-CB 3.38Å; A27-A30 PolarHBondContact O-N 3.09Å; A27-T31 VanDerWaalsContact O-CG2 3.32Å; A27-T31 WeakPolarHBondContact O-CG2 3.4Å; A27-T31 PolarHBondContact O-N 2.93Å; A27-T31 VanDerWaalsContact O-N 3.15Å; A27-P136 HydrophobicContact CB-CB 3.8Å; A27-P158 HydrophobicContact CB-CB 3.62Å; A27-P158 HydrophobicContact CB-CG 4.03Å
28I96.9Very high95.2Very high47 Ų4746.8 Ų46.824%0.24124%0.238CC..Hα-helixtrans-59.8-47.2173.8-69164.7000110.4V24 E25 A30 T31 P158V24-I28 HydrophobicContact CG1-CD1 4.14Å; V24-I28 WeakPolarHBondContact O-CG1 3.45Å; V24-I28 PolarHBondContact O-N 3.48Å; E25-I28 WeakPolarHBondContact O-CB 3.42Å; E25-I28 PolarHBondContact O-N 3.34Å; I28-A30 VanDerWaalsContact C-N 3.29Å; I28-A30 PolarHBondContact O-N 2.93Å; I28-T31 WeakPolarHBondContact O-CB 3.41Å; I28-T31 PolarHBondContact O-N 3.04Å; I28-T31 VanDerWaalsContact O-N 3.13Å; I28-T31 PolarHBondContact O-OG1 3.34Å; I28-P158 HydrophobicContact CG1-CB 4.19Å; I28-P158 HydrophobicContact CG1-CG 4.18Å
29E96.7Very high95.6Very high99 Ų9942 Ų4246%0.46322%0.216SC..Hα-helixtrans-63-35.7176.4-67.9-53.7136.900112.1E25 Y26 T31 K32E25-E29 WeakPolarHBondContact O-CG 3.39Å; E25-E29 PolarHBondContact O-N 2.6Å; Y26-E29 PolarHBondContact O-N 2.71Å; E29-T31 VanDerWaalsContact C-N 3.25Å; E29-T31 PolarHBondContact O-N 2.92Å; E29-K32 WeakPolarHBondContact O-CB 3.49Å; E29-K32 PolarHBondContact O-N 3.15Å; E29-K32 VanDerWaalsContact O-N 3.07Å; E29-K32 IonicContact OE1-NZ 3.8Å; E29-K32 PolarHBondContact OE1-NZ 3.09Å; E29-K32 WeakPolarHBondContact OE2-CD 3.32Å; E29-K32 IonicContact OE2-NZ 3.75Å; E29-K32 PolarHBondContact OE2-NZ 3Å
30A96.3Very high95.9Very high30 Ų3039.8 Ų39.825%0.24819%0.192CC..Hα-helixtrans-62.3-31.517500000112.6Y26 A27 I28 K32 L33Y26-A30 WeakPolarHBondContact O-CB 3.46Å; Y26-A30 PolarHBondContact O-N 2.87Å; A27-A30 WeakPolarHBondContact O-CB 3.38Å; A27-A30 PolarHBondContact O-N 3.09Å; I28-A30 VanDerWaalsContact C-N 3.29Å; I28-A30 PolarHBondContact O-N 2.93Å; A30-K32 PolarHBondContact O-N 2.71Å; A30-L33 WeakPolarHBondContact O-CB 3.38Å; A30-L33 PolarHBondContact O-N 3.14Å; A30-L33 VanDerWaalsContact O-N 3.09Å
31T97.4Very high96Very high11 Ų1135.7 Ų35.77%0.06718%0.177CC..Hα-helixtrans-62.6-32.4174.7750000112.3A27 I28 E29 L33 G34 V139 A140 P158A27-T31 VanDerWaalsContact O-CG2 3.32Å; A27-T31 WeakPolarHBondContact O-CG2 3.4Å; A27-T31 PolarHBondContact O-N 2.93Å; A27-T31 VanDerWaalsContact O-N 3.15Å; I28-T31 WeakPolarHBondContact O-CB 3.41Å; I28-T31 PolarHBondContact O-N 3.04Å; I28-T31 VanDerWaalsContact O-N 3.13Å; I28-T31 PolarHBondContact O-OG1 3.34Å; E29-T31 VanDerWaalsContact C-N 3.25Å; E29-T31 PolarHBondContact O-N 2.92Å; T31-L33 PolarHBondContact O-N 3.21Å; T31-G34 PolarHBondContact O-N 3.38Å; T31-V139 VanDerWaalsContact CG2-C 3.44Å; T31-A140 HydrophobicContact CG2-CB 4.02Å; T31-P158 HydrophobicContact CG2-CG 3.56Å
32K96.1Very high96Very high73 Ų7334 Ų3432%0.31717%0.169SC..THydrogen-bonded Turntrans-72.2-9.8177.4-57.4-178.7-171.2163.30113E29 A30 G34 S172E29-K32 WeakPolarHBondContact O-CB 3.49Å; E29-K32 PolarHBondContact O-N 3.15Å; E29-K32 VanDerWaalsContact O-N 3.07Å; E29-K32 IonicContact OE1-NZ 3.8Å; E29-K32 PolarHBondContact OE1-NZ 3.09Å; E29-K32 WeakPolarHBondContact OE2-CD 3.32Å; E29-K32 IonicContact OE2-NZ 3.75Å; E29-K32 PolarHBondContact OE2-NZ 3Å; A30-K32 PolarHBondContact O-N 2.71Å; K32-G34 VanDerWaalsContact C-N 3.3Å; K32-S172 WeakPolarHBondContact O-CA 3.49Å; K32-S172 WeakPolarHBondContact O-CB 3.43Å; K32-S172 PolarHBondContact O-N 3.2Å
33L95.2Very high95.9Very high134 Ų13435.4 Ų35.470%0.70218%0.182SC*.THydrogen-bonded Turntrans-83.4-14.2170.1-56.2179.2000111.8A30 T31 R53A30-L33 WeakPolarHBondContact O-CB 3.38Å; A30-L33 PolarHBondContact O-N 3.14Å; A30-L33 VanDerWaalsContact O-N 3.09Å; T31-L33 PolarHBondContact O-N 3.21Å; L33-R53 PolarHBondContact O-NH1 2.86Å
34G95.6Very high95.9Very high7 Ų736.7 Ų36.77%0.07219%0.188CC..SBendtrans-68.4164.1176.300000113.8T31 K32 S79 S172T31-G34 PolarHBondContact O-N 3.38Å; K32-G34 VanDerWaalsContact C-N 3.3Å; G34-S79 WeakPolarHBondContact CA-OG 2.95Å; G34-S172 WeakPolarHBondContact O-CB 3.43Å; G34-S172 PolarHBondContact O-N 3.31Å; G34-S172 PolarHBondContact O-OG 3.37Å
35S96.6Very high96Very high3 Ų336 Ų362%0.02118%0.184CC..PPolyproline II helixtrans-69.1151.2175.357.20000111.5G37 E51 K66 S79S35-G37 PolarHBondContact O-N 3.07Å; S35-E51 WeakPolarHBondContact CB-O 3.01Å; S35-E51 PolarHBondContact OG-O 3.31Å; S35-K66 WeakPolarHBondContact OG-CE 3.48Å; S35-K66 PolarHBondContact OG-NZ 3.13Å; S35-S79 WeakPolarHBondContact O-CB 3.17Å; S35-S79 PolarHBondContact O-OG 3.09Å
36T98.7Very high96.2Very high0 Ų033.5 Ų33.50%017%0.172CC..PPolyproline II helixtrans-73.4128.3-171.7-49.30000111.1V50 E51 I170 G173 A177 L210 V213T36-V50 WeakPolarHBondContact O-CA 3.12Å; T36-E51 PolarHBondContact N-OE2 3.39Å; T36-E51 WeakPolarHBondContact O-CB 3.42Å; T36-E51 PolarHBondContact O-N 3.12Å; T36-E51 PolarHBondContact OG1-OE2 3.23Å; T36-I170 CarbonylContact C-O 3.52Å; T36-I170 WeakPolarHBondContact CA-O 3.43Å; T36-G173 VanDerWaalsContact OG1-CA 3.32Å; T36-G173 WeakPolarHBondContact OG1-CA 2.95Å; T36-G173 PolarHBondContact OG1-N 3.4Å; T36-A177 HydrophobicContact CG2-CB 4.34Å; T36-L210 HydrophobicContact CG2-CD2 4.06Å; T36-V213 HydrophobicContact CG2-CG2 3.97Å
37G98.6Very high96.3Very high0 Ų028.2 Ų28.20%015%0.151CC..EExtended strand (participates in β ladder)trans-122.1144176.300000111.4S35 A49 A169 I170S35-G37 PolarHBondContact O-N 3.07Å; G37-A49 CarbonylContact C-O 3.52Å; G37-A49 WeakPolarHBondContact CA-O 3.05Å; G37-A169 CarbonylContact O-C 3.56Å; G37-A169 VanDerWaalsContact O-CA 3.25Å; G37-A169 WeakPolarHBondContact O-CA 3.47Å; G37-I170 PolarHBondContact N-O 2.64Å; G37-I170 PolarHBondContact O-N 3.04Å
38I98.8Very high96.4Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-130.6132.5-178.7-62.4178.2000109.2I40 M48 A49 A169 A177 L181 A206 I209 L210I38-I40 HydrophobicContact CG2-CD1 4.14Å; I38-I40 HydrophobicContact CG2-CG1 3.82Å; I38-M48 CarbonylContact O-C 3.5Å; I38-M48 VanDerWaalsContact O-CA 3.31Å; I38-M48 WeakPolarHBondContact O-CA 3.24Å; I38-A49 PolarHBondContact N-O 3.39Å; I38-A49 PolarHBondContact O-N 3.5Å; I38-A169 HydrophobicContact CG1-CB 4.32Å; I38-A177 HydrophobicContact CD1-CB 4.15Å; I38-A177 HydrophobicContact CG1-CB 4.39Å; I38-L181 HydrophobicContact CG2-CD1 4.15Å; I38-L181 HydrophobicContact CG2-CD2 4.1Å; I38-A206 HydrophobicContact CG2-CB 4.36Å; I38-I209 HydrophobicContact CD1-CB 3.71Å; I38-I209 HydrophobicContact CD1-CG2 3.48Å; I38-I209 VanDerWaalsContact CD1-CG2 3.48Å; I38-L210 HydrophobicContact CD1-CD2 3.83Å; I38-L210 HydrophobicContact CD1-CG 3.9Å; I38-L210 HydrophobicContact CG1-CD2 4.12Å
39G98.5Very high96.5Very high0 Ų025.4 Ų25.40%014%0.135CC..EExtended strand (participates in β ladder)trans-117.8135.3167.900000110.8V47 L153 A167 K168G39-V47 CarbonylContact C-O 3.57Å; G39-V47 WeakPolarHBondContact CA-O 3.12Å; G39-L153 VanDerWaalsContact C-CD2 3.47Å; G39-L153 WeakPolarHBondContact O-CD2 3.36Å; G39-A167 CarbonylContact O-C 3.56Å; G39-A167 WeakPolarHBondContact O-CA 3.48Å; G39-A167 WeakPolarHBondContact O-CB 3.39Å; G39-K168 PolarHBondContact N-O 2.8Å; G39-K168 PolarHBondContact O-N 2.94Å
40I96.9Very high96.6Very high4 Ų420.7 Ų20.72%0.02111%0.113CC..EExtended strand (participates in β ladder)trans-134116.2178.5-51.3-178.9000109.2I38 V46 V47 A167 L181 Y185 C202 H205 A206I38-I40 HydrophobicContact CG2-CD1 4.14Å; I38-I40 HydrophobicContact CG2-CG1 3.82Å; I40-V46 WeakPolarHBondContact O-CA 3.13Å; I40-V46 WeakPolarHBondContact O-CG1 3.5Å; I40-V47 HydrophobicContact CB-CB 4.48Å; I40-V47 PolarHBondContact N-O 3.03Å; I40-V47 PolarHBondContact O-N 3.16Å; I40-A167 HydrophobicContact CG1-CB 4.35Å; I40-A167 HydrophobicContact CG2-CB 4.42Å; I40-L181 HydrophobicContact CD1-CD2 3.75Å; I40-L181 HydrophobicContact CG1-CD2 3.87Å; I40-Y185 HydrophobicContact CG2-CE2 4.17Å; I40-Y185 VanDerWaalsContact CG2-OH 3.28Å; I40-Y185 WeakPolarHBondContact CG2-OH 3.4Å; I40-C202 HydrophobicContact CB-CB 4.39Å; I40-C202 HydrophobicContact CG2-CB 4.03Å; I40-H205 HydrophobicContact CD1-CB 4.47Å; I40-A206 HydrophobicContact CD1-CB 4Å
41K95.3Very high96.7Very high32 Ų3219.9 Ų19.914%0.13910%0.104CC..EExtended strand (participates in β ladder)trans-80137.9172.8-178.6-174.7148.2-145.90110V46 P151 L153 E166 Y185K41-V46 HydrophobicContact CG-CG2 4.45Å; K41-P151 VanDerWaalsContact CD-O 3.26Å; K41-P151 WeakPolarHBondContact CD-O 3.4Å; K41-P151 WeakPolarHBondContact CE-O 3.36Å; K41-P151 HydrophobicContact CG-CB 3.95Å; K41-L153 HydrophobicContact CB-CB 4.39Å; K41-E166 VanDerWaalsContact CB-O 3.24Å; K41-E166 WeakPolarHBondContact CB-O 3.32Å; K41-E166 WeakPolarHBondContact CD-OE2 3.12Å; K41-E166 WeakPolarHBondContact CE-OE2 3.25Å; K41-E166 PolarHBondContact N-O 2.99Å; K41-E166 VanDerWaalsContact NZ-CD 3.27Å; K41-E166 IonicContact NZ-OE1 2.88Å; K41-E166 PolarHBondContact NZ-OE1 2.85Å; K41-E166 IonicContact NZ-OE2 3.48Å; K41-E166 PolarHBondContact NZ-OE2 3.29Å; K41-Y185 PolarHBondContact O-OH 3.26Å; K41-Y185 VanDerWaalsContact O-OH 3.09Å
42T92.7Very high96.6Very high7 Ų720.2 Ų20.24%0.04311%0.105CC..  trans-129.3179.7175.985.40000110E44 G45 P151 L197 L199 C202T42-E44 VanDerWaalsContact C-N 3.33Å; T42-E44 PolarHBondContact OG1-N 3.47Å; T42-G45 CarbonylContact C-O 3.56Å; T42-G45 WeakPolarHBondContact CA-O 3.13Å; T42-G45 PolarHBondContact N-O 3.47Å; T42-G45 PolarHBondContact OG1-N 3.05Å; T42-G45 VanDerWaalsContact OG1-N 3.12Å; T42-G45 PolarHBondContact OG1-O 3.15Å; T42-G45 VanDerWaalsContact OG1-O 3.11Å; T42-P151 WeakPolarHBondContact O-CB 3.3Å; T42-P151 WeakPolarHBondContact O-CG 3.39Å; T42-L197 VanDerWaalsContact CB-O 3.32Å; T42-L197 WeakPolarHBondContact CB-O 3.48Å; T42-L199 HydrophobicContact CG2-CD1 4.33Å; T42-C202 HydrophobicContact CG2-CB 3.75Å; T42-C202 WeakPolarHBondContact CG2-SG 3.42Å
43S89.6Confident96.4Very high51 Ų5120.4 Ų20.436%0.35710%0.103SC..SBendtrans-77.5-19.2170.944.10000113.8V195 I230S43-V195 WeakPolarHBondContact CB-O 3.35Å; S43-V195 PolarHBondContact OG-O 3.47Å; S43-I230 WeakPolarHBondContact O-CD1 3.14Å
44E93.6Very high96Very high82 Ų8215.5 Ų15.538%0.3838%0.079SC..SBendtrans-92.3-18.8-179.8-66.8177.1171.200112.2T42 K198 L199 S229 I230T42-E44 VanDerWaalsContact C-N 3.33Å; T42-E44 PolarHBondContact OG1-N 3.47Å; E44-K198 WeakPolarHBondContact OE2-CA 3.34Å; E44-L199 HydrophobicContact CB-CB 4.13Å; E44-L199 VanDerWaalsContact OE2-CB 3.29Å; E44-L199 WeakPolarHBondContact OE2-CB 3.39Å; E44-L199 PolarHBondContact OE2-N 3.43Å; E44-S229 WeakPolarHBondContact O-CA 3.44Å; E44-I230 PolarHBondContact O-N 3.03Å
45G96.6Very high95.6Very high0 Ų021.1 Ų21.10%011%0.107CC..EExtended strand (participates in β ladder)trans161.8-154.2-17300000112.8T42 V228T42-G45 CarbonylContact C-O 3.56Å; T42-G45 WeakPolarHBondContact CA-O 3.13Å; T42-G45 PolarHBondContact N-O 3.47Å; T42-G45 PolarHBondContact OG1-N 3.05Å; T42-G45 VanDerWaalsContact OG1-N 3.12Å; T42-G45 PolarHBondContact OG1-O 3.15Å; T42-G45 VanDerWaalsContact OG1-O 3.11Å; G45-V228 CarbonylContact C-O 3.58Å; G45-V228 WeakPolarHBondContact CA-O 3.32Å
46V98Very high95.3Very high0 Ų023.2 Ų23.20%012%0.122CC..EExtended strand (participates in β ladder)trans-130.3135.2176.1-170.20000108.9I40 K41 A144 P151 Q152 L153 T227 V228I40-V46 WeakPolarHBondContact O-CA 3.13Å; I40-V46 WeakPolarHBondContact O-CG1 3.5Å; K41-V46 HydrophobicContact CG-CG2 4.45Å; V46-A144 HydrophobicContact CB-CB 3.89Å; V46-A144 HydrophobicContact CG1-CB 3.54Å; V46-P151 HydrophobicContact CG2-CB 3.86Å; V46-Q152 WeakPolarHBondContact CG2-O 3.46Å; V46-L153 HydrophobicContact CG1-CB 4.19Å; V46-L153 HydrophobicContact CG1-CD1 4.14Å; V46-T227 CarbonylContact O-C 3.56Å; V46-T227 VanDerWaalsContact O-CA 3.27Å; V46-T227 WeakPolarHBondContact O-CA 3.48Å; V46-V228 PolarHBondContact N-O 2.88Å; V46-V228 PolarHBondContact O-N 3.32Å
47V98.4Very high94.8Very high1 Ų130.1 Ų30.11%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-99.2141.4174.2179.80000109.2G39 I40 L199 C202 C203 A206 M225 T227G39-V47 CarbonylContact C-O 3.57Å; G39-V47 WeakPolarHBondContact CA-O 3.12Å; I40-V47 HydrophobicContact CB-CB 4.48Å; I40-V47 PolarHBondContact N-O 3.03Å; I40-V47 PolarHBondContact O-N 3.16Å; V47-L199 HydrophobicContact CG2-CD1 3.52Å; V47-L199 HydrophobicContact CG2-CG 4Å; V47-L199 WeakPolarHBondContact CG2-O 3.4Å; V47-C202 HydrophobicContact CB-CB 4.41Å; V47-C202 HydrophobicContact CG2-CB 3.67Å; V47-C203 HydrophobicContact CG1-CB 4.41Å; V47-A206 HydrophobicContact CG1-CB 4.26Å; V47-M225 HydrophobicContact CG1-CE 4.41Å; V47-T227 HydrophobicContact CG2-CG2 4.11Å
48M98.8Very high94.6Very high0 Ų037.5 Ų37.50%020%0.203CC..EExtended strand (participates in β ladder)trans-128.4136.8170.8-51.8-169.491.200109.9I38 I67 A75 A77 L142 A144 M225 A226I38-M48 CarbonylContact O-C 3.5Å; I38-M48 VanDerWaalsContact O-CA 3.31Å; I38-M48 WeakPolarHBondContact O-CA 3.24Å; M48-I67 HydrophobicContact CB-CD1 3.9Å; M48-I67 HydrophobicContact SD-CG2 4.03Å; M48-A75 HydrophobicContact SD-CB 3.9Å; M48-A77 HydrophobicContact CE-CB 3.2Å; M48-A77 HydrophobicContact SD-CB 4.18Å; M48-L142 HydrophobicContact CE-CB 3.63Å; M48-L142 WeakPolarHBondContact CE-O 3.32Å; M48-A144 HydrophobicContact CE-CB 3.82Å; M48-A144 HydrophobicContact CG-CB 3.78Å; M48-A144 HydrophobicContact SD-CB 3.45Å; M48-A144 WeakPolarHBondContact SD-CB 3.42Å; M48-M225 WeakPolarHBondContact O-CA 3.49Å; M48-A226 PolarHBondContact N-O 2.88Å; M48-A226 PolarHBondContact O-N 3.5Å
49A98.8Very high94.2Very high0 Ų040.5 Ų40.50%022%0.218CC..EExtended strand (participates in β ladder)trans-140.1132.8170.900000109.8G37 I38 A206 L207 L210 E224 M225G37-A49 CarbonylContact C-O 3.52Å; G37-A49 WeakPolarHBondContact CA-O 3.05Å; I38-A49 PolarHBondContact N-O 3.39Å; I38-A49 PolarHBondContact O-N 3.5Å; A49-A206 HydrophobicContact CB-CB 3.84Å; A49-L207 HydrophobicContact CB-CD2 4.46Å; A49-L210 HydrophobicContact CB-CD1 3.62Å; A49-E224 CarbonylContact C-O 3.53Å; A49-E224 VanDerWaalsContact CA-O 3.31Å; A49-E224 WeakPolarHBondContact CA-O 3.45Å; A49-M225 HydrophobicContact CB-CE 3.83Å
50V98.7Very high93.8Very high0 Ų045.8 Ų45.80%025%0.245CC..EExtended strand (participates in β ladder)trans-134.7130.9-177.3-167.60000110.6T36 K66 I67 A77 V223 E224T36-V50 WeakPolarHBondContact O-CA 3.12Å; V50-K66 HydrophobicContact CB-CB 3.9Å; V50-K66 HydrophobicContact CG1-CB 3.7Å; V50-K66 HydrophobicContact CG1-CD 4.46Å; V50-K66 HydrophobicContact CG1-CG 4.06Å; V50-K66 HydrophobicContact CG2-CB 4.39Å; V50-I67 HydrophobicContact CB-CG1 4.42Å; V50-I67 HydrophobicContact CG2-CD1 4.01Å; V50-I67 HydrophobicContact CG2-CG1 3.69Å; V50-A77 HydrophobicContact CG2-CB 3.69Å; V50-V223 CarbonylContact O-C 3.57Å; V50-V223 WeakPolarHBondContact O-CA 3.37Å; V50-V223 WeakPolarHBondContact O-CG2 3.08Å; V50-E224 PolarHBondContact N-O 3.02Å; V50-E224 PolarHBondContact O-N 3.1Å
51E98Very high93.4Very high12 Ų1247.8 Ų47.86%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-60.7135.5169.8174.1-161.7166.300110.7S35 T36 R53 M214S35-E51 WeakPolarHBondContact CB-O 3.01Å; S35-E51 PolarHBondContact OG-O 3.31Å; T36-E51 PolarHBondContact N-OE2 3.39Å; T36-E51 WeakPolarHBondContact O-CB 3.42Å; T36-E51 PolarHBondContact O-N 3.12Å; T36-E51 PolarHBondContact OG1-OE2 3.23Å; E51-R53 HydrophobicContact CG-CG 4.43Å; E51-R53 VanDerWaalsContact OE1-CG 3.24Å; E51-R53 WeakPolarHBondContact OE1-CG 3.46Å; E51-R53 IonicContact OE1-CZ 3.27Å; E51-R53 IonicContact OE1-NE 3.76Å; E51-R53 PolarHBondContact OE1-NE 2.98Å; E51-R53 IonicContact OE1-NH2 2.92Å; E51-R53 IonicContact OE2-NH2 2.72Å; E51-M214 HydrophobicContact CB-CG 4.2Å; E51-M214 HydrophobicContact CB-SD 4.26Å; E51-M214 HydrophobicContact CG-CE 4.1Å; E51-M214 HydrophobicContact CG-CG 3.94Å; E51-M214 HydrophobicContact CG-SD 4.23Å
52K95.8Very high93.1Very high18 Ų1850.8 Ų50.88%0.07828%0.284CS..  trans-111117.2168.8-65-169-68.3-172.50109.5V54 P61 I64 K66 T221 N222 V223 E224K52-V54 PolarHBondContact O-N 2.87Å; K52-P61 PolarHBondContact NZ-O 2.9Å; K52-I64 HydrophobicContact CB-CG2 4.29Å; K52-I64 HydrophobicContact CD-CB 4.24Å; K52-I64 HydrophobicContact CD-CG2 4.14Å; K52-I64 WeakPolarHBondContact CD-O 3.26Å; K52-I64 HydrophobicContact CG-CG2 4.14Å; K52-K66 HydrophobicContact CG-CG 4.17Å; K52-T221 VanDerWaalsContact CE-O 3.28Å; K52-T221 WeakPolarHBondContact CE-O 3.27Å; K52-N222 PolarHBondContact N-O 3.02Å; K52-V223 VanDerWaalsContact CE-O 3.32Å; K52-V223 WeakPolarHBondContact CE-O 3.08Å; K52-E224 HydrophobicContact CD-CB 4.09Å; K52-E224 HydrophobicContact CG-CB 4.3Å; K52-E224 IonicContact NZ-OE2 3.77Å
53R91.6Very high93Very high78 Ų7854.3 Ų54.329%0.29431%0.308SS..  trans-83.6105.8175.8-70.4-176.8-177.8158.95110.6L33 E51 S172L33-R53 PolarHBondContact O-NH1 2.86Å; E51-R53 HydrophobicContact CG-CG 4.43Å; E51-R53 VanDerWaalsContact OE1-CG 3.24Å; E51-R53 WeakPolarHBondContact OE1-CG 3.46Å; E51-R53 IonicContact OE1-CZ 3.27Å; E51-R53 IonicContact OE1-NE 3.76Å; E51-R53 PolarHBondContact OE1-NE 2.98Å; E51-R53 IonicContact OE1-NH2 2.92Å; E51-R53 IonicContact OE2-NH2 2.72Å; R53-S172 PolarHBondContact NH2-OG 2.8Å
54V87.2Confident93.1Very high30 Ų3053.4 Ų53.418%0.18230%0.299CS..  trans-104.973.8-179.9-170.60000109.3K52 S56 I59 P61 I64K52-V54 PolarHBondContact O-N 2.87Å; V54-S56 PolarHBondContact O-N 3.13Å; V54-I59 HydrophobicContact CG1-CB 4.24Å; V54-I59 HydrophobicContact CG1-CG2 4.31Å; V54-P61 HydrophobicContact CG1-CG 4.04Å; V54-P61 HydrophobicContact CG2-CB 4.09Å; V54-P61 HydrophobicContact CG2-CG 4.42Å; V54-I64 HydrophobicContact CG2-CD1 4.1Å
55N86.4Confident93.1Very high126 Ų12654.6 Ų54.667%0.67431%0.305SS*.  trans-75.54.8-169.8-61.14.7000114.5
56S90.4Very high93.2Very high46 Ų4655.7 Ų55.732%0.32231%0.309SS..  trans-152.5138.7-179.9173.10000110.5V54 L58 I59V54-S56 PolarHBondContact O-N 3.13Å; S56-L58 PolarHBondContact O-N 2.98Å; S56-L58 VanDerWaalsContact O-N 3.16Å; S56-L58 PolarHBondContact OG-N 2.78Å; S56-L58 VanDerWaalsContact OG-N 3.15Å; S56-I59 WeakPolarHBondContact O-CB 3.32Å; S56-I59 PolarHBondContact O-N 3.31Å
57T88.7Confident93.2Very high145 Ų14555.9 Ų55.989%0.8931%0.311SS*.THydrogen-bonded Turntrans-64.7-14.8173.456.10000113.1
58L95.1Very high93.2Very high155 Ų15556.5 Ų56.581%0.81231%0.313SS*.THydrogen-bonded Turntrans-84.6-12.9175.8-56179.8000112.7S56S56-L58 PolarHBondContact O-N 2.98Å; S56-L58 VanDerWaalsContact O-N 3.16Å; S56-L58 PolarHBondContact OG-N 2.78Å; S56-L58 VanDerWaalsContact OG-N 3.15Å
59I89.7Confident93.2Very high63 Ų6360.4 Ų60.432%0.32333%0.331SS..SBendtrans-79129.9175.3-67.5169.5000108.5V54 S56 P61 I64V54-I59 HydrophobicContact CG1-CB 4.24Å; V54-I59 HydrophobicContact CG1-CG2 4.31Å; S56-I59 WeakPolarHBondContact O-CB 3.32Å; S56-I59 PolarHBondContact O-N 3.31Å; I59-P61 WeakPolarHBondContact O-CD 3.26Å; I59-I64 HydrophobicContact CG2-CD1 3.58Å; I59-I64 HydrophobicContact CG2-CG1 4.15Å
60I90.8Very high93.2Very high112 Ų11260.9 Ų60.957%0.57433%0.334SS*.  trans-77.8109.7170.9-63.1170.4000107.6S62 S63I60-S62 VanDerWaalsContact CG2-OG 3.31Å; I60-S62 WeakPolarHBondContact CG2-OG 3.13Å; I60-S62 PolarHBondContact O-N 3.37Å; I60-S62 VanDerWaalsContact O-N 3.16Å; I60-S63 WeakPolarHBondContact O-CB 3.35Å; I60-S63 PolarHBondContact O-N 2.83Å; I60-S63 PolarHBondContact O-OG 3.26Å
61P87.6Confident93.2Very high45 Ų4562.9 Ų62.929%0.29235%0.345SS..G310 helixtrans-64.6-25.9-170.6-24.336.4000114.1K52 V54 I59 S63 I64K52-P61 PolarHBondContact NZ-O 2.9Å; V54-P61 HydrophobicContact CG1-CG 4.04Å; V54-P61 HydrophobicContact CG2-CB 4.09Å; V54-P61 HydrophobicContact CG2-CG 4.42Å; I59-P61 WeakPolarHBondContact O-CD 3.26Å; P61-S63 PolarHBondContact O-N 2.66Å; P61-I64 PolarHBondContact O-N 2.93Å
62S88.1Confident93.2Very high96 Ų9668.9 Ų68.967%0.67137%0.371SS*.G310 helixtrans-73.9-12.1176.159.70000113.6I60 I64I60-S62 VanDerWaalsContact CG2-OG 3.31Å; I60-S62 WeakPolarHBondContact CG2-OG 3.13Å; I60-S62 PolarHBondContact O-N 3.37Å; I60-S62 VanDerWaalsContact O-N 3.16Å; S62-I64 VanDerWaalsContact C-N 3.34Å
63S90.5Very high93.3Very high80 Ų8068 Ų6856%0.55937%0.367SS*.G310 helixtrans-85.2-9.8173.970.60000113.2I60 P61 E65I60-S63 WeakPolarHBondContact O-CB 3.35Å; I60-S63 PolarHBondContact O-N 2.83Å; I60-S63 PolarHBondContact O-OG 3.26Å; P61-S63 PolarHBondContact O-N 2.66Å; S63-E65 PolarHBondContact O-N 3.46Å
64I92.7Very high93.7Very high32 Ų3264.3 Ų64.316%0.16435%0.353CS..  trans-91.198174.5-60.8165.8000107.7K52 V54 I59 P61 S62 K66K52-I64 HydrophobicContact CB-CG2 4.29Å; K52-I64 HydrophobicContact CD-CB 4.24Å; K52-I64 HydrophobicContact CD-CG2 4.14Å; K52-I64 WeakPolarHBondContact CD-O 3.26Å; K52-I64 HydrophobicContact CG-CG2 4.14Å; V54-I64 HydrophobicContact CG2-CD1 4.1Å; I59-I64 HydrophobicContact CG2-CD1 3.58Å; I59-I64 HydrophobicContact CG2-CG1 4.15Å; P61-I64 PolarHBondContact O-N 2.93Å; S62-I64 VanDerWaalsContact C-N 3.34Å; I64-K66 HydrophobicContact CG2-CG 4.27Å
65E93.9Very high94.2Very high108 Ų10862.9 Ų62.951%0.50535%0.345SS..  trans-95.4137.9172.5-64.3173178.300109.8S63 F68S63-E65 PolarHBondContact O-N 3.46Å; E65-F68 HydrophobicContact CB-CE1 3.88Å; E65-F68 HydrophobicContact CB-CZ 3.91Å
66K97.6Very high94.8Very high22 Ų2256.9 Ų56.910%0.09631%0.313CS..  trans-131.9-18.8-179.6-68.2-65.8-173.8164.40112.7S35 V50 K52 I64 A77 V78 V82 E224S35-K66 WeakPolarHBondContact OG-CE 3.48Å; S35-K66 PolarHBondContact OG-NZ 3.13Å; V50-K66 HydrophobicContact CB-CB 3.9Å; V50-K66 HydrophobicContact CG1-CB 3.7Å; V50-K66 HydrophobicContact CG1-CD 4.46Å; V50-K66 HydrophobicContact CG1-CG 4.06Å; V50-K66 HydrophobicContact CG2-CB 4.39Å; K52-K66 HydrophobicContact CG-CG 4.17Å; I64-K66 HydrophobicContact CG2-CG 4.27Å; K66-A77 WeakPolarHBondContact O-CA 3.24Å; K66-V78 HydrophobicContact CD-CG2 4.29Å; K66-V78 PolarHBondContact O-N 2.84Å; K66-V82 HydrophobicContact CD-CG2 4.47Å; K66-E224 WeakPolarHBondContact CA-OE1 3.22Å; K66-E224 PolarHBondContact N-OE1 2.96Å
67I98.6Very high95.2Very high5 Ų554.7 Ų54.73%0.02630%0.297CS..EExtended strand (participates in β ladder)trans-120.2121.2175-50177.8000108.7M48 V50 A75 C76 A77 E224 A226 Y234M48-I67 HydrophobicContact CB-CD1 3.9Å; M48-I67 HydrophobicContact SD-CG2 4.03Å; V50-I67 HydrophobicContact CB-CG1 4.42Å; V50-I67 HydrophobicContact CG2-CD1 4.01Å; V50-I67 HydrophobicContact CG2-CG1 3.69Å; I67-A75 HydrophobicContact CG2-CB 4.31Å; I67-C76 CarbonylContact C-O 3.57Å; I67-C76 WeakPolarHBondContact CA-O 3.43Å; I67-A77 HydrophobicContact CG1-CB 4.19Å; I67-E224 HydrophobicContact CB-CG 4.45Å; I67-E224 HydrophobicContact CD1-CB 4.37Å; I67-E224 HydrophobicContact CD1-CG 4.07Å; I67-E224 HydrophobicContact CG1-CG 4.16Å; I67-E224 PolarHBondContact N-OE1 3.24Å; I67-A226 HydrophobicContact CD1-CB 3.98Å; I67-A226 HydrophobicContact CG2-CB 3.8Å; I67-Y234 HydrophobicContact CG2-CE2 4.3Å
68F98.5Very high95.7Very high13 Ų1347.9 Ų47.96%0.05726%0.255CS..EExtended strand (participates in β ladder)trans-114.1134.3-175.3-59.9-92.6000110.3E65 V70 A75 C76 V78 I89E65-F68 HydrophobicContact CB-CE1 3.88Å; E65-F68 HydrophobicContact CB-CZ 3.91Å; F68-V70 PolarHBondContact O-N 3.18Å; F68-A75 CarbonylContact O-C 3.57Å; F68-A75 WeakPolarHBondContact O-CA 3.17Å; F68-C76 PolarHBondContact N-O 3.29Å; F68-C76 PolarHBondContact O-N 3.03Å; F68-V78 HydrophobicContact CD2-CG1 3.89Å; F68-V78 HydrophobicContact CE2-CG1 3.87Å; F68-V78 HydrophobicContact CE2-CG2 3.89Å; F68-I89 HydrophobicContact CB-CD1 3.94Å; F68-I89 HydrophobicContact CB-CG1 4.47Å; F68-I89 HydrophobicContact CB-CG2 4.04Å; F68-I89 HydrophobicContact CD1-CD1 4.15Å; F68-I89 HydrophobicContact CD2-CD1 3.23Å; F68-I89 HydrophobicContact CD2-CG1 4.46Å; F68-I89 HydrophobicContact CE2-CD1 3.69Å; F68-I89 HydrophobicContact CG-CD1 3.49Å; F68-I89 VanDerWaalsContact CG-CD1 3.49Å; F68-I89 HydrophobicContact CG-CG1 4.5Å; F68-I89 HydrophobicContact CG-CG2 4.44Å; F68-I89 HydrophobicContact CZ-CD1 4.31Å
69E98.6Very high95.8Very high82 Ų8240.5 Ų40.538%0.38322%0.217SC..EExtended strand (participates in β ladder)trans-68.4125.6164.3-167.3177.4-172.900109.2R93 Y234E69-R93 VanDerWaalsContact O-CZ 3.3Å; E69-R93 PolarHBondContact O-NE 3.27Å; E69-R93 PolarHBondContact O-NH2 3.37Å; E69-Y234 HydrophobicContact CB-CD1 3.76Å; E69-Y234 HydrophobicContact CB-CE1 3.59Å; E69-Y234 HydrophobicContact CB-CG 4.38Å; E69-Y234 HydrophobicContact CG-CD1 3.59Å; E69-Y234 HydrophobicContact CG-CE1 3.98Å; E69-Y234 HydrophobicContact CG-CG 4.04Å
70V98.7Very high96.2Very high11 Ų1138.1 Ų38.17%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-97.4-46173.7173.40000109.8F68 I74 C76 A92 R93 V112 F143F68-V70 PolarHBondContact O-N 3.18Å; V70-I74 HydrophobicContact CB-CB 4.1Å; V70-I74 HydrophobicContact CB-CG2 3.96Å; V70-I74 HydrophobicContact CG1-CB 4.46Å; V70-I74 HydrophobicContact CG1-CG2 4.29Å; V70-I74 HydrophobicContact CG2-CG2 4.41Å; V70-I74 PolarHBondContact N-O 2.82Å; V70-C76 HydrophobicContact CG2-CB 3.76Å; V70-A92 HydrophobicContact CG1-CB 3.61Å; V70-A92 HydrophobicContact CG2-CB 4.2Å; V70-R93 HydrophobicContact CG1-CG 4.39Å; V70-R93 WeakPolarHBondContact O-CG 3.43Å; V70-V112 HydrophobicContact CG1-CG1 4.23Å; V70-F143 HydrophobicContact CG2-CE1 4.17Å
71D98.5Very high96.4Very high41 Ų4136.7 Ų36.722%0.21920%0.201CC..EExtended strand (participates in β ladder)trans-150.5171.1170.3-165.4-5.7000106.8H73 I74 A96D71-H73 PolarHBondContact O-N 3.34Å; D71-H73 IonicContact OD2-CE1 2.98Å; D71-H73 PolarHBondContact OD2-CE1 3.01Å; D71-H73 VanDerWaalsContact OD2-CE1 3.24Å; D71-H73 IonicContact OD2-ND1 3.75Å; D71-I74 PolarHBondContact N-O 2.54Å; D71-I74 VanDerWaalsContact N-O 3.17Å; D71-I74 CarbonylContact O-C 3.56Å; D71-I74 PolarHBondContact O-N 2.89Å; D71-A96 HydrophobicContact CB-CB 4.17Å
72K98.1Very high96.6Very high138 Ų13836.3 Ų36.360%0.620%0.198SC*.THydrogen-bonded Turntrans-51.6-38.1-178.3-64.4180-178.5175.30111.6N233 Y234K72-N233 VanDerWaalsContact O-CB 3.25Å; K72-N233 WeakPolarHBondContact O-CB 3.31Å; K72-Y234 VanDerWaalsContact O-CB 3.3Å; K72-Y234 WeakPolarHBondContact O-CB 3.44Å; K72-Y234 PolarHBondContact O-N 3.03Å
73H98.6Very high96.8Very high1 Ų134.9 Ų34.91%0.00519%0.192CC..THydrogen-bonded Turntrans-99.310-17969.2-66.3000114.5D71 K106 M107 G145 V146 V228D71-H73 PolarHBondContact O-N 3.34Å; D71-H73 IonicContact OD2-CE1 2.98Å; D71-H73 PolarHBondContact OD2-CE1 3.01Å; D71-H73 VanDerWaalsContact OD2-CE1 3.24Å; D71-H73 IonicContact OD2-ND1 3.75Å; H73-K106 HydrophobicContact CB-CD 4.24Å; H73-M107 PolarHBondContact NE2-O 2.99Å; H73-G145 CarbonylContact O-C 3.58Å; H73-G145 WeakPolarHBondContact O-CA 3.13Å; H73-V146 WeakPolarHBondContact CB-O 3.38Å; H73-V146 PolarHBondContact CD2-O 3.36Å; H73-V146 PolarHBondContact O-N 3.1Å; H73-V228 WeakPolarHBondContact O-CG1 3.44Å
74I98.8Very high97Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-140.8127.6-176.9-48.9-178.2000111.2V70 D71 I109 V112 F143 A144V70-I74 HydrophobicContact CB-CB 4.1Å; V70-I74 HydrophobicContact CB-CG2 3.96Å; V70-I74 HydrophobicContact CG1-CB 4.46Å; V70-I74 HydrophobicContact CG1-CG2 4.29Å; V70-I74 HydrophobicContact CG2-CG2 4.41Å; V70-I74 PolarHBondContact N-O 2.82Å; D71-I74 PolarHBondContact N-O 2.54Å; D71-I74 VanDerWaalsContact N-O 3.17Å; D71-I74 CarbonylContact O-C 3.56Å; D71-I74 PolarHBondContact O-N 2.89Å; I74-I109 HydrophobicContact CD1-CD1 4.47Å; I74-I109 HydrophobicContact CD1-CG1 4.25Å; I74-I109 HydrophobicContact CG1-CD1 4.21Å; I74-I109 HydrophobicContact CG1-CG1 4.06Å; I74-V112 HydrophobicContact CD1-CB 4.29Å; I74-V112 HydrophobicContact CD1-CG2 3.64Å; I74-F143 HydrophobicContact CG2-CD1 4.24Å; I74-A144 CarbonylContact C-O 3.57Å; I74-A144 WeakPolarHBondContact CA-O 3.29Å
75A98.9Very high97.2Very high0 Ų029.8 Ų29.80%016%0.159CC..EExtended strand (participates in β ladder)trans-118.7155.3169.100000111.2M48 I67 F68 F143 A144 V228 Y234M48-A75 HydrophobicContact SD-CB 3.9Å; I67-A75 HydrophobicContact CG2-CB 4.31Å; F68-A75 CarbonylContact O-C 3.57Å; F68-A75 WeakPolarHBondContact O-CA 3.17Å; A75-F143 WeakPolarHBondContact O-CA 3.44Å; A75-A144 PolarHBondContact N-O 3.39Å; A75-A144 PolarHBondContact O-N 3.46Å; A75-V228 HydrophobicContact CB-CG2 3.61Å; A75-Y234 HydrophobicContact CB-CD2 3.59Å; A75-Y234 HydrophobicContact CB-CE2 3.67Å
76C98.9Very high97.2Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-129.6121.6176.6-169.90000110.7I67 F68 V70 I89 L142 F143I67-C76 CarbonylContact C-O 3.57Å; I67-C76 WeakPolarHBondContact CA-O 3.43Å; F68-C76 PolarHBondContact N-O 3.29Å; F68-C76 PolarHBondContact O-N 3.03Å; V70-C76 HydrophobicContact CG2-CB 3.76Å; C76-I89 HydrophobicContact CB-CG1 4.45Å; C76-L142 CarbonylContact C-O 3.57Å; C76-L142 VanDerWaalsContact CA-O 3.28Å; C76-L142 WeakPolarHBondContact CA-O 3.42Å; C76-F143 HydrophobicContact CB-CD1 3.93Å; C76-F143 HydrophobicContact CB-CE1 3.78Å; C76-F143 HydrophobicContact CB-CZ 4.47Å
77A98.8Very high97.1Very high0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-99.4143170.300000110.1M48 V50 K66 I67 L141 L142M48-A77 HydrophobicContact CE-CB 3.2Å; M48-A77 HydrophobicContact SD-CB 4.18Å; V50-A77 HydrophobicContact CG2-CB 3.69Å; K66-A77 WeakPolarHBondContact O-CA 3.24Å; I67-A77 HydrophobicContact CG1-CB 4.19Å; A77-L141 WeakPolarHBondContact O-CA 3.29Å; A77-L142 HydrophobicContact CB-CB 4.32Å; A77-L142 PolarHBondContact N-O 3.1Å; A77-L142 PolarHBondContact O-N 2.84Å
78V98.5Very high97Very high1 Ų133 Ų331%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-122.9141.6-170.6-46.30000111.6K66 F68 V82 A85 I89 V139 L141K66-V78 HydrophobicContact CD-CG2 4.29Å; K66-V78 PolarHBondContact O-N 2.84Å; F68-V78 HydrophobicContact CD2-CG1 3.89Å; F68-V78 HydrophobicContact CE2-CG1 3.87Å; F68-V78 HydrophobicContact CE2-CG2 3.89Å; V78-V82 HydrophobicContact CG2-CG2 4.34Å; V78-A85 HydrophobicContact CB-CB 3.92Å; V78-A85 HydrophobicContact CG1-CB 3.81Å; V78-A85 HydrophobicContact CG2-CB 4.23Å; V78-I89 HydrophobicContact CG1-CD1 3.75Å; V78-V139 HydrophobicContact CB-CG2 4.16Å; V78-L141 HydrophobicContact CB-CD2 4.15Å; V78-L141 HydrophobicContact CG1-CD2 3.7Å
79S98.2Very high96.9Very high0 Ų032.4 Ų32.40%017%0.168CC..EExtended strand (participates in β ladder)trans-138.5138.6167.1-165.10000111.5G34 S35 V139 A140 G171G34-S79 WeakPolarHBondContact CA-OG 2.95Å; S35-S79 WeakPolarHBondContact O-CB 3.17Å; S35-S79 PolarHBondContact O-OG 3.09Å; S79-V139 CarbonylContact O-C 3.53Å; S79-V139 WeakPolarHBondContact O-CA 3.31Å; S79-V139 WeakPolarHBondContact O-CG2 3.42Å; S79-A140 PolarHBondContact N-O 3.26Å; S79-A140 PolarHBondContact O-N 3.49Å; S79-G171 WeakPolarHBondContact OG-CA 3.45Å
80G97Very high96.9Very high14 Ų1433.1 Ų33.114%0.14417%0.171CC..EExtended strand (participates in β ladder)trans109.1-142.7-171.400000111.9V82 G138G80-V82 PolarHBondContact O-N 3.11Å; G80-V82 VanDerWaalsContact O-N 3.12Å; G80-G138 WeakPolarHBondContact CA-O 3.17Å
81L95.2Very high96.7Very high82 Ų8235 Ų3543%0.42918%0.177SC..  trans-73100.3-178.1-61.1-178.8000110.9A83 D84 A85 G138L81-A83 PolarHBondContact O-N 2.95Å; L81-D84 HydrophobicContact CB-CB 4.1Å; L81-D84 WeakPolarHBondContact O-CB 3.31Å; L81-D84 PolarHBondContact O-N 3.34Å; L81-D84 VanDerWaalsContact O-N 3.1Å; L81-A85 PolarHBondContact O-N 3.22Å; L81-A85 VanDerWaalsContact O-N 3.13Å; L81-G138 PolarHBondContact N-O 3.45Å
82V92.6Very high96.8Very high36 Ų3633 Ų3322%0.21817%0.167CC..Hα-helixtrans-60.6-29.3-178.4-179.20000112.5K66 V78 G80 A85 R86K66-V82 HydrophobicContact CD-CG2 4.47Å; V78-V82 HydrophobicContact CG2-CG2 4.34Å; G80-V82 PolarHBondContact O-N 3.11Å; G80-V82 VanDerWaalsContact O-N 3.12Å; V82-A85 WeakPolarHBondContact O-CB 3.35Å; V82-A85 PolarHBondContact O-N 3.35Å; V82-R86 PolarHBondContact O-N 3.06Å; V82-R86 VanDerWaalsContact O-N 3.15Å
83A92Very high96.8Very high67 Ų6730.4 Ų30.455%0.55415%0.153SC*.Hα-helixtrans-62.3-45.1175.600000111.9L81 A85 R86L81-A83 PolarHBondContact O-N 2.95Å; A83-A85 VanDerWaalsContact C-N 3.3Å; A83-A85 PolarHBondContact O-N 3.45Å; A83-R86 PolarHBondContact O-N 3.33Å
84D94.7Very high96.8Very high5 Ų534.2 Ų34.23%0.02718%0.177CC..Hα-helixtrans-63.2-40174.7-72.114.8000110.7L81 R86 T87 L88 R135 F137 G138 V139L81-D84 HydrophobicContact CB-CB 4.1Å; L81-D84 WeakPolarHBondContact O-CB 3.31Å; L81-D84 PolarHBondContact O-N 3.34Å; L81-D84 VanDerWaalsContact O-N 3.1Å; D84-R86 VanDerWaalsContact C-N 3.3Å; D84-R86 PolarHBondContact O-N 3.13Å; D84-T87 PolarHBondContact O-N 3.36Å; D84-L88 PolarHBondContact O-N 2.81Å; D84-R135 IonicContact OD1-CZ 3.79Å; D84-R135 IonicContact OD1-NH1 3.26Å; D84-R135 IonicContact OD1-NH2 2.72Å; D84-R135 PolarHBondContact OD1-NH2 3Å; D84-R135 IonicContact OD2-CZ 3.34Å; D84-R135 IonicContact OD2-NH1 2.6Å; D84-R135 PolarHBondContact OD2-NH1 2.77Å; D84-R135 IonicContact OD2-NH2 3.4Å; D84-R135 PolarHBondContact OD2-NH2 2.75Å; D84-F137 HydrophobicContact CB-CB 4.24Å; D84-F137 HydrophobicContact CB-CD1 3.89Å; D84-F137 WeakPolarHBondContact OD2-CA 3.38Å; D84-G138 PolarHBondContact OD2-N 2.91Å; D84-V139 HydrophobicContact CB-CG1 4.4Å
85A96Very high96.7Very high0 Ų036.1 Ų36.10%019%0.185CC..Hα-helixtrans-58.3-39.5178.800000113V78 L81 V82 A83 T87 L88 I89 V139V78-A85 HydrophobicContact CB-CB 3.92Å; V78-A85 HydrophobicContact CG1-CB 3.81Å; V78-A85 HydrophobicContact CG2-CB 4.23Å; L81-A85 PolarHBondContact O-N 3.22Å; L81-A85 VanDerWaalsContact O-N 3.13Å; V82-A85 WeakPolarHBondContact O-CB 3.35Å; V82-A85 PolarHBondContact O-N 3.35Å; A83-A85 VanDerWaalsContact C-N 3.3Å; A83-A85 PolarHBondContact O-N 3.45Å; A85-T87 VanDerWaalsContact C-N 3.32Å; A85-T87 PolarHBondContact O-N 2.65Å; A85-L88 PolarHBondContact O-N 3.16Å; A85-L88 VanDerWaalsContact O-N 3.15Å; A85-I89 HydrophobicContact CB-CD1 4.34Å; A85-I89 WeakPolarHBondContact O-CD1 3.34Å; A85-I89 VanDerWaalsContact O-CG1 3.3Å; A85-I89 WeakPolarHBondContact O-CG1 3.28Å; A85-I89 PolarHBondContact O-N 2.93Å; A85-V139 HydrophobicContact CB-CB 4.4Å; A85-V139 HydrophobicContact CB-CG2 3.71Å
86R94.7Very high96.7Very high154 Ų15436.1 Ų36.158%0.58119%0.186SC*.Hα-helixtrans-58.9-43.5-179.6-73.9174.9176.9157.6-1.3111.9V82 A83 D84 L88 I89 E90V82-R86 PolarHBondContact O-N 3.06Å; V82-R86 VanDerWaalsContact O-N 3.15Å; A83-R86 PolarHBondContact O-N 3.33Å; D84-R86 VanDerWaalsContact C-N 3.3Å; D84-R86 PolarHBondContact O-N 3.13Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3Å; R86-I89 PolarHBondContact O-N 3.09Å; R86-E90 WeakPolarHBondContact O-CG 3.34Å; R86-E90 PolarHBondContact O-N 3.07Å
87T94.6Very high96.7Very high45 Ų4538.9 Ų38.928%0.27621%0.209SC..Hα-helixtrans-60.5-43177-590000111.6D84 A85 E90 R91 L119 G131 F137D84-T87 PolarHBondContact O-N 3.36Å; A85-T87 VanDerWaalsContact C-N 3.32Å; A85-T87 PolarHBondContact O-N 2.65Å; T87-E90 PolarHBondContact O-N 2.97Å; T87-R91 PolarHBondContact O-N 3.39Å; T87-L119 HydrophobicContact CG2-CD2 4.47Å; T87-G131 WeakPolarHBondContact CG2-O 3.39Å; T87-F137 HydrophobicContact CG2-CE1 4.01Å; T87-F137 HydrophobicContact CG2-CZ 4.33Å
88L96.6Very high96.7Very high2 Ų243.7 Ų43.71%0.0123%0.231CC..Hα-helixtrans-68.6-36.6178-62.6-175.5000112.6D84 A85 R86 R91 A92 V116 L119 F137 V139 L141D84-L88 PolarHBondContact O-N 2.81Å; A85-L88 PolarHBondContact O-N 3.16Å; A85-L88 VanDerWaalsContact O-N 3.15Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3Å; L88-R91 WeakPolarHBondContact O-CB 3.43Å; L88-R91 PolarHBondContact O-N 3.15Å; L88-A92 PolarHBondContact O-N 3.21Å; L88-V116 HydrophobicContact CB-CG1 3.76Å; L88-V116 HydrophobicContact CD1-CG1 4.29Å; L88-V116 HydrophobicContact CD2-CG1 3.97Å; L88-V116 HydrophobicContact CG-CG1 4.21Å; L88-L119 HydrophobicContact CD2-CD2 3.97Å; L88-L119 HydrophobicContact CD2-CG 4.24Å; L88-F137 HydrophobicContact CD1-CB 4.04Å; L88-F137 HydrophobicContact CD1-CD1 4.21Å; L88-F137 HydrophobicContact CD1-CG 4.02Å; L88-F137 HydrophobicContact CD2-CD1 3.99Å; L88-F137 HydrophobicContact CD2-CD2 3.97Å; L88-F137 HydrophobicContact CD2-CE1 3.88Å; L88-F137 HydrophobicContact CD2-CE2 3.86Å; L88-F137 HydrophobicContact CD2-CG 4.04Å; L88-F137 HydrophobicContact CD2-CZ 3.81Å; L88-F137 HydrophobicContact CG-CD1 3.93Å; L88-F137 HydrophobicContact CG-CE1 4.15Å; L88-F137 HydrophobicContact CG-CG 4.16Å; L88-V139 HydrophobicContact CD1-CG1 3.53Å; L88-L141 HydrophobicContact CB-CD1 4.05Å; L88-L141 HydrophobicContact CD1-CD1 3.8Å
89I97.9Very high96.7Very high1 Ų144.9 Ų44.91%0.00524%0.236CC..Hα-helixtrans-69.1-40.7176.6-70157.7000111.2F68 C76 V78 A85 R86 R91 A92 R93F68-I89 HydrophobicContact CB-CD1 3.94Å; F68-I89 HydrophobicContact CB-CG1 4.47Å; F68-I89 HydrophobicContact CB-CG2 4.04Å; F68-I89 HydrophobicContact CD1-CD1 4.15Å; F68-I89 HydrophobicContact CD2-CD1 3.23Å; F68-I89 HydrophobicContact CD2-CG1 4.46Å; F68-I89 HydrophobicContact CE2-CD1 3.69Å; F68-I89 HydrophobicContact CG-CD1 3.49Å; F68-I89 VanDerWaalsContact CG-CD1 3.49Å; F68-I89 HydrophobicContact CG-CG1 4.5Å; F68-I89 HydrophobicContact CG-CG2 4.44Å; F68-I89 HydrophobicContact CZ-CD1 4.31Å; C76-I89 HydrophobicContact CB-CG1 4.45Å; V78-I89 HydrophobicContact CG1-CD1 3.75Å; A85-I89 HydrophobicContact CB-CD1 4.34Å; A85-I89 WeakPolarHBondContact O-CD1 3.34Å; A85-I89 VanDerWaalsContact O-CG1 3.3Å; A85-I89 WeakPolarHBondContact O-CG1 3.28Å; A85-I89 PolarHBondContact O-N 2.93Å; R86-I89 PolarHBondContact O-N 3.09Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 3.45Å; I89-A92 WeakPolarHBondContact O-CB 3.44Å; I89-A92 PolarHBondContact O-N 3.18Å; I89-R93 HydrophobicContact CG2-CG 4.47Å; I89-R93 WeakPolarHBondContact O-CG 3.42Å; I89-R93 PolarHBondContact O-N 2.62Å
90E96.9Very high96.7Very high97 Ų9751.6 Ų51.645%0.45326%0.262SS..Hα-helixtrans-64.7-37.3175.2-70.4-52.3124.100111.6R86 T87 R93 T94R86-E90 WeakPolarHBondContact O-CG 3.34Å; R86-E90 PolarHBondContact O-N 3.07Å; T87-E90 PolarHBondContact O-N 2.97Å; E90-R93 PolarHBondContact O-N 3.29Å; E90-R93 IonicContact OE1-CZ 3.76Å; E90-R93 IonicContact OE1-NH1 2.67Å; E90-R93 PolarHBondContact OE1-NH1 3.33Å; E90-T94 WeakPolarHBondContact O-CB 3.43Å; E90-T94 PolarHBondContact O-N 3.39Å; E90-T94 PolarHBondContact O-OG1 2.85Å
91R96.4Very high96.7Very high50 Ų5058.9 Ų58.919%0.18929%0.289CS..Hα-helixtrans-58.7-48.3170-177.964.3172.3136.28111.1T87 L88 I89 R93 T94 E95 L119 E129T87-R91 PolarHBondContact O-N 3.39Å; L88-R91 WeakPolarHBondContact O-CB 3.43Å; L88-R91 PolarHBondContact O-N 3.15Å; I89-R91 VanDerWaalsContact C-N 3.31Å; I89-R91 PolarHBondContact O-N 3.45Å; R91-R93 PolarHBondContact O-N 3.49Å; R91-T94 PolarHBondContact O-N 2.8Å; R91-E95 IonicContact CZ-OE1 2.81Å; R91-E95 IonicContact NH1-OE1 3.67Å; R91-E95 PolarHBondContact NH1-OE1 2.98Å; R91-E95 IonicContact NH2-OE1 2.93Å; R91-E95 PolarHBondContact NH2-OE1 2.86Å; R91-E95 WeakPolarHBondContact O-CB 3.48Å; R91-E95 WeakPolarHBondContact O-CG 3.46Å; R91-E95 PolarHBondContact O-N 3.06Å; R91-L119 HydrophobicContact CB-CD2 3.58Å; R91-L119 HydrophobicContact CG-CB 4.18Å; R91-L119 HydrophobicContact CG-CD2 3.59Å; R91-E129 IonicContact CZ-OE1 2.73Å; R91-E129 IonicContact NE-OE1 2.58Å; R91-E129 IonicContact NH1-OE1 2.81Å; R91-E129 IonicContact NH2-OE1 2.96Å
92A98.7Very high96.9Very high0 Ų058.4 Ų58.40%029%0.29CS..Hα-helixtrans-59.2-46178.900000112.3V70 L88 I89 E95 A96 V112 V116 F143V70-A92 HydrophobicContact CG1-CB 3.61Å; V70-A92 HydrophobicContact CG2-CB 4.2Å; L88-A92 PolarHBondContact O-N 3.21Å; I89-A92 WeakPolarHBondContact O-CB 3.44Å; I89-A92 PolarHBondContact O-N 3.18Å; A92-E95 PolarHBondContact O-N 2.86Å; A92-A96 WeakPolarHBondContact O-CB 3.44Å; A92-A96 PolarHBondContact O-N 3.27Å; A92-V112 HydrophobicContact CB-CG1 3.77Å; A92-V116 HydrophobicContact CB-CG2 3.66Å; A92-F143 HydrophobicContact CB-CE1 4.02Å; A92-F143 HydrophobicContact CB-CZ 4.35Å
93R98.7Very high97.1Very high83 Ų8363.4 Ų63.431%0.31331%0.306SS..Hα-helixtrans-61.9-44.9177.7-75.1171.2173.2165.8-3.7111.9E69 V70 I89 E90 R91 A97E69-R93 VanDerWaalsContact O-CZ 3.3Å; E69-R93 PolarHBondContact O-NE 3.27Å; E69-R93 PolarHBondContact O-NH2 3.37Å; V70-R93 HydrophobicContact CG1-CG 4.39Å; V70-R93 WeakPolarHBondContact O-CG 3.43Å; I89-R93 HydrophobicContact CG2-CG 4.47Å; I89-R93 WeakPolarHBondContact O-CG 3.42Å; I89-R93 PolarHBondContact O-N 2.62Å; E90-R93 PolarHBondContact O-N 3.29Å; E90-R93 IonicContact OE1-CZ 3.76Å; E90-R93 IonicContact OE1-NH1 2.67Å; E90-R93 PolarHBondContact OE1-NH1 3.33Å; R91-R93 PolarHBondContact O-N 3.49Å; R93-A97 VanDerWaalsContact O-CB 3.29Å; R93-A97 WeakPolarHBondContact O-CB 3.42Å; R93-A97 PolarHBondContact O-N 3.26Å
94T98.3Very high97.4Very high82 Ų8266.4 Ų66.450%0.50331%0.312SS..Hα-helixtrans-62.3-45.7179.5-58.80000111.1E90 R91 H98E90-T94 WeakPolarHBondContact O-CB 3.43Å; E90-T94 PolarHBondContact O-N 3.39Å; E90-T94 PolarHBondContact O-OG1 2.85Å; R91-T94 PolarHBondContact O-N 2.8Å; T94-H98 WeakPolarHBondContact O-CB 3.38Å; T94-H98 PolarHBondContact O-N 2.98Å
95E98.3Very high97.5Very high39 Ų3971.2 Ų71.218%0.18234%0.335CS..Hα-helixtrans-65.9-45179.2-75.4-69.1157.700112.2R91 A92 A97 H98 H99 M107 A115R91-E95 IonicContact CZ-OE1 2.81Å; R91-E95 IonicContact NH1-OE1 3.67Å; R91-E95 PolarHBondContact NH1-OE1 2.98Å; R91-E95 IonicContact NH2-OE1 2.93Å; R91-E95 PolarHBondContact NH2-OE1 2.86Å; R91-E95 WeakPolarHBondContact O-CB 3.48Å; R91-E95 WeakPolarHBondContact O-CG 3.46Å; R91-E95 PolarHBondContact O-N 3.06Å; A92-E95 PolarHBondContact O-N 2.86Å; E95-A97 PolarHBondContact O-N 3.21Å; E95-H98 PolarHBondContact O-N 3.47Å; E95-H99 WeakPolarHBondContact O-CB 3.45Å; E95-H99 PolarHBondContact O-N 2.91Å; E95-M107 HydrophobicContact CB-CE 4.31Å; E95-M107 HydrophobicContact CB-SD 4.17Å; E95-A115 HydrophobicContact CB-CB 4.21Å; E95-A115 HydrophobicContact CG-CB 3.76Å
96A98.6Very high97.5Very high1 Ų176.2 Ų76.21%0.00836%0.356CS..Hα-helixtrans-61.1-46.4176.300000112.1D71 A92 H99 W100 V112D71-A96 HydrophobicContact CB-CB 4.17Å; A92-A96 WeakPolarHBondContact O-CB 3.44Å; A92-A96 PolarHBondContact O-N 3.27Å; A96-H99 PolarHBondContact O-N 3.42Å; A96-W100 PolarHBondContact O-N 3.35Å; A96-V112 HydrophobicContact CB-CG2 4.24Å
97A98.6Very high97.6Very high58 Ų5869.4 Ų69.448%0.47933%0.332SS..Hα-helixtrans-65.4-40.217800000112.3R93 E95 W100 F101R93-A97 VanDerWaalsContact O-CB 3.29Å; R93-A97 WeakPolarHBondContact O-CB 3.42Å; R93-A97 PolarHBondContact O-N 3.26Å; E95-A97 PolarHBondContact O-N 3.21Å; A97-W100 PolarHBondContact O-N 3.23Å; A97-F101 WeakPolarHBondContact O-CB 3.34Å; A97-F101 PolarHBondContact O-N 2.95Å
98H98.5Very high97.8Very high101 Ų10167.9 Ų67.947%0.46832%0.322SS..Hα-helixtrans-65.7-45.3177177.1-100.3000111.8T94 E95 W100 F101 V102T94-H98 WeakPolarHBondContact O-CB 3.38Å; T94-H98 PolarHBondContact O-N 2.98Å; E95-H98 PolarHBondContact O-N 3.47Å; H98-W100 VanDerWaalsContact C-N 3.32Å; H98-W100 PolarHBondContact O-N 3.12Å; H98-F101 PolarHBondContact O-N 2.86Å; H98-F101 VanDerWaalsContact O-N 3.14Å; H98-V102 WeakPolarHBondContact NE2-CG2 3.18Å; H98-V102 WeakPolarHBondContact O-CG2 3.36Å; H98-V102 PolarHBondContact O-N 2.61Å
99H98.6Very high97.9Very high25 Ų2567.8 Ų67.812%0.11632%0.321CS..Hα-helixtrans-57.7-46.8175.6-170.4103.7000111E95 A96 F101 V102 Y103 E105 M107E95-H99 WeakPolarHBondContact O-CB 3.45Å; E95-H99 PolarHBondContact O-N 2.91Å; A96-H99 PolarHBondContact O-N 3.42Å; H99-F101 VanDerWaalsContact C-N 3.33Å; H99-F101 PolarHBondContact O-N 2.86Å; H99-V102 PolarHBondContact O-N 3.36Å; H99-Y103 HydrophobicContact CB-CD2 4.39Å; H99-Y103 AromaticContact CD2-CD2 3.73Å; H99-Y103 AromaticContact CE1-CD2 3.52Å; H99-Y103 AromaticContact CE1-CE2 3.97Å; H99-Y103 AromaticContact CG-CD2 3.67Å; H99-Y103 AromaticContact ND1-CD2 3.56Å; H99-Y103 AromaticContact ND1-CE2 3.83Å; H99-Y103 AromaticContact NE2-CD2 3.63Å; H99-Y103 WeakPolarHBondContact O-CB 3.24Å; H99-Y103 WeakPolarHBondContact O-CD2 3.3Å; H99-Y103 PolarHBondContact O-N 3.21Å; H99-E105 IonicContact CE1-OE1 3.32Å; H99-E105 WeakPolarHBondContact NE2-CG 3.39Å; H99-E105 IonicContact NE2-OE1 2.87Å; H99-E105 PolarHBondContact NE2-OE1 3.27Å; H99-M107 HydrophobicContact CB-CB 3.84Å; H99-M107 HydrophobicContact CB-CG 3.9Å; H99-M107 HydrophobicContact CB-SD 3.82Å
100W97.6Very high98Very high142 Ų14270.4 Ų70.454%0.53833%0.334SS..Hα-helixtrans-61.2-41.2176.1179.673.6000112.3A96 A97 H98 N104 E105A96-W100 PolarHBondContact O-N 3.35Å; A97-W100 PolarHBondContact O-N 3.23Å; H98-W100 VanDerWaalsContact C-N 3.32Å; H98-W100 PolarHBondContact O-N 3.12Å; W100-N104 WeakPolarHBondContact O-CA 3.25Å; W100-N104 PolarHBondContact O-N 2.85Å; W100-E105 VanDerWaalsContact CA-O 3.32Å; W100-E105 WeakPolarHBondContact CA-O 3.33Å
101F98.1Very high98.1Very high166 Ų16668.5 Ų68.573%0.72833%0.327SS*.Hα-helixtrans-64.6-42.3178177.9-101.1000113A97 H98 H99A97-F101 WeakPolarHBondContact O-CB 3.34Å; A97-F101 PolarHBondContact O-N 2.95Å; H98-F101 PolarHBondContact O-N 2.86Å; H98-F101 VanDerWaalsContact O-N 3.14Å; H99-F101 VanDerWaalsContact C-N 3.33Å; H99-F101 PolarHBondContact O-N 2.86Å
102V98.5Very high98.2Very high72 Ų7266.1 Ų66.144%0.43632%0.318SS..Hα-helixtrans-80.3-42.6-175.51750000112.1H98 H99H98-V102 WeakPolarHBondContact NE2-CG2 3.18Å; H98-V102 WeakPolarHBondContact O-CG2 3.36Å; H98-V102 PolarHBondContact O-N 2.61Å; H99-V102 PolarHBondContact O-N 3.36Å
103Y97.7Very high98.2Very high142 Ų14266.1 Ų66.156%0.55732%0.318SS*.Hα-helixtrans-106.3-9.6-170.9-56.5-68000113.5H99 E105H99-Y103 HydrophobicContact CB-CD2 4.39Å; H99-Y103 AromaticContact CD2-CD2 3.73Å; H99-Y103 AromaticContact CE1-CD2 3.52Å; H99-Y103 AromaticContact CE1-CE2 3.97Å; H99-Y103 AromaticContact CG-CD2 3.67Å; H99-Y103 AromaticContact ND1-CD2 3.56Å; H99-Y103 AromaticContact ND1-CE2 3.83Å; H99-Y103 AromaticContact NE2-CD2 3.63Å; H99-Y103 WeakPolarHBondContact O-CB 3.24Å; H99-Y103 WeakPolarHBondContact O-CD2 3.3Å; H99-Y103 PolarHBondContact O-N 3.21Å; Y103-E105 PolarHBondContact O-N 2.95Å
104N96.7Very high98.2Very high129 Ų12966.9 Ų66.969%0.6932%0.323SS*.SBendtrans54.935.7-177.1-170.450.3000113.2W100W100-N104 WeakPolarHBondContact O-CA 3.25Å; W100-N104 PolarHBondContact O-N 2.85Å
105E96.6Very high98.1Very high107 Ų10763.4 Ų63.450%0.530%0.303SS..SBendtrans-141.3162.8177.668.1-177.6-168.700110.7H99 W100 Y103H99-E105 IonicContact CE1-OE1 3.32Å; H99-E105 WeakPolarHBondContact NE2-CG 3.39Å; H99-E105 IonicContact NE2-OE1 2.87Å; H99-E105 PolarHBondContact NE2-OE1 3.27Å; W100-E105 VanDerWaalsContact CA-O 3.32Å; W100-E105 WeakPolarHBondContact CA-O 3.33Å; Y103-E105 PolarHBondContact O-N 2.95Å
106K96.6Very high98.1Very high104 Ų10461.6 Ų61.645%0.45229%0.294SS..PPolyproline II helixtrans-74.4129.9176.8-70.4-179.6176.3-172.10109.5H73 N233H73-K106 HydrophobicContact CB-CD 4.24Å; K106-N233 PolarHBondContact NZ-OD1 2.9Å
107M98.3Very high97.9Very high12 Ų1261.8 Ų61.86%0.05930%0.296CS..PPolyproline II helixtrans-63.6140.7173.4-161171.5-169.600110.5H73 E95 H99 D111 V112H73-M107 PolarHBondContact NE2-O 2.99Å; E95-M107 HydrophobicContact CB-CE 4.31Å; E95-M107 HydrophobicContact CB-SD 4.17Å; H99-M107 HydrophobicContact CB-CB 3.84Å; H99-M107 HydrophobicContact CB-CG 3.9Å; H99-M107 HydrophobicContact CB-SD 3.82Å; M107-D111 HydrophobicContact CE-CB 3.66Å; M107-D111 HydrophobicContact CG-CB 4Å; M107-V112 HydrophobicContact CB-CG2 3.93Å; M107-V112 HydrophobicContact CE-CG2 4.47Å; M107-V112 HydrophobicContact CG-CG2 3.69Å; M107-V112 HydrophobicContact SD-CB 4.44Å; M107-V112 HydrophobicContact SD-CG2 3.41Å; M107-V112 WeakPolarHBondContact SD-CG2 3.47Å
108T98.6Very high97.7Very high12 Ų1263.1 Ų63.17%0.07430%0.295CS..PPolyproline II helixtrans-69.2153.1176.177.20000110.6E110 D111 V112 D147T108-E110 PolarHBondContact O-N 2.84Å; T108-D111 PolarHBondContact O-N 3.34Å; T108-D111 WeakPolarHBondContact OG1-CB 3.33Å; T108-D111 PolarHBondContact OG1-N 2.87Å; T108-D111 VanDerWaalsContact OG1-N 3.08Å; T108-D111 PolarHBondContact OG1-OD2 2.96Å; T108-V112 PolarHBondContact O-N 3.39Å; T108-V112 VanDerWaalsContact O-N 3.12Å; T108-D147 WeakPolarHBondContact CB-OD2 3.24Å
109I98.7Very high97.5Very high0 Ų058.4 Ų58.40%027%0.273CS..Hα-helixtrans-64-34.5179.4-70.270.5000109.7I74 T113 F143 D147 Q152 Y154I74-I109 HydrophobicContact CD1-CD1 4.47Å; I74-I109 HydrophobicContact CD1-CG1 4.25Å; I74-I109 HydrophobicContact CG1-CD1 4.21Å; I74-I109 HydrophobicContact CG1-CG1 4.06Å; I109-T113 WeakPolarHBondContact O-CB 3.33Å; I109-T113 PolarHBondContact O-N 2.9Å; I109-T113 PolarHBondContact O-OG1 2.82Å; I109-F143 HydrophobicContact CG2-CB 3.95Å; I109-D147 HydrophobicContact CD1-CB 3.6Å; I109-D147 VanDerWaalsContact CD1-OD2 3.29Å; I109-D147 WeakPolarHBondContact CD1-OD2 3.33Å; I109-D147 PolarHBondContact N-OD2 2.91Å; I109-Q152 HydrophobicContact CB-CB 3.9Å; I109-Q152 HydrophobicContact CB-CG 4.28Å; I109-Q152 HydrophobicContact CD1-CB 4.42Å; I109-Q152 HydrophobicContact CD1-CG 4.34Å; I109-Q152 HydrophobicContact CG1-CB 4.12Å; I109-Q152 HydrophobicContact CG2-CB 4.15Å; I109-Y154 HydrophobicContact CB-CD2 4.38Å; I109-Y154 HydrophobicContact CG2-CD2 3.6Å; I109-Y154 HydrophobicContact CG2-CE2 4.21Å
110E98.7Very high97.1Very high57 Ų5757.3 Ų57.327%0.26627%0.268SS..Hα-helixtrans-63.4-46.1177.1-172.1175.6-168.900111.6T108 T113 K114 R149 Y154 Y162T108-E110 PolarHBondContact O-N 2.84Å; E110-T113 PolarHBondContact O-N 3.46Å; E110-K114 VanDerWaalsContact O-CB 3.29Å; E110-K114 WeakPolarHBondContact O-CB 3.32Å; E110-K114 PolarHBondContact O-N 2.92Å; E110-R149 IonicContact OE2-CZ 3.61Å; E110-R149 IonicContact OE2-NH1 3.32Å; E110-R149 PolarHBondContact OE2-NH1 2.87Å; E110-Y154 HydrophobicContact CB-CE1 4.46Å; E110-Y154 HydrophobicContact CB-CE2 4.08Å; E110-Y154 HydrophobicContact CG-CE1 4.21Å; E110-Y162 HydrophobicContact CG-CE2 4.13Å
111D98.6Very high96.8Very high57 Ų5754.7 Ų54.731%0.30526%0.264SS..Hα-helixtrans-67.5-39.9-178.4-65.4-42.6000111.6M107 T108 K114 A115M107-D111 HydrophobicContact CE-CB 3.66Å; M107-D111 HydrophobicContact CG-CB 4Å; T108-D111 PolarHBondContact O-N 3.34Å; T108-D111 WeakPolarHBondContact OG1-CB 3.33Å; T108-D111 PolarHBondContact OG1-N 2.87Å; T108-D111 VanDerWaalsContact OG1-N 3.08Å; T108-D111 PolarHBondContact OG1-OD2 2.96Å; D111-K114 PolarHBondContact O-N 3.37Å; D111-A115 WeakPolarHBondContact O-CB 3.48Å; D111-A115 PolarHBondContact O-N 3.01Å
112V98.7Very high96.3Very high0 Ų047.4 Ų47.40%024%0.235CC..Hα-helixtrans-59.6-48.4172.1172.40000110.4V70 I74 A92 A96 M107 T108 K114 A115 V116 F143V70-V112 HydrophobicContact CG1-CG1 4.23Å; I74-V112 HydrophobicContact CD1-CB 4.29Å; I74-V112 HydrophobicContact CD1-CG2 3.64Å; A92-V112 HydrophobicContact CB-CG1 3.77Å; A96-V112 HydrophobicContact CB-CG2 4.24Å; M107-V112 HydrophobicContact CB-CG2 3.93Å; M107-V112 HydrophobicContact CE-CG2 4.47Å; M107-V112 HydrophobicContact CG-CG2 3.69Å; M107-V112 HydrophobicContact SD-CB 4.44Å; M107-V112 HydrophobicContact SD-CG2 3.41Å; M107-V112 WeakPolarHBondContact SD-CG2 3.47Å; T108-V112 PolarHBondContact O-N 3.39Å; T108-V112 VanDerWaalsContact O-N 3.12Å; V112-K114 VanDerWaalsContact C-N 3.29Å; V112-K114 PolarHBondContact O-N 3.37Å; V112-A115 PolarHBondContact O-N 2.96Å; V112-V116 WeakPolarHBondContact O-CG2 3.31Å; V112-V116 PolarHBondContact O-N 3.25Å; V112-V116 VanDerWaalsContact O-N 3.1Å; V112-F143 HydrophobicContact CG1-CD1 4.4Å; V112-F143 HydrophobicContact CG1-CE1 4.17Å
113T98.7Very high95.5Very high0 Ų044.7 Ų44.70%022%0.217CC..Hα-helixtrans-60.9-41179.4-55.10000111I109 E110 V116 S117 F143 M156 Y162I109-T113 WeakPolarHBondContact O-CB 3.33Å; I109-T113 PolarHBondContact O-N 2.9Å; I109-T113 PolarHBondContact O-OG1 2.82Å; E110-T113 PolarHBondContact O-N 3.46Å; T113-V116 PolarHBondContact O-N 3.45Å; T113-S117 VanDerWaalsContact O-CB 3.32Å; T113-S117 WeakPolarHBondContact O-CB 3.36Å; T113-S117 PolarHBondContact O-N 3.12Å; T113-F143 HydrophobicContact CG2-CD2 3.99Å; T113-F143 HydrophobicContact CG2-CE2 4.44Å; T113-M156 HydrophobicContact CG2-CB 4.24Å; T113-Y162 HydrophobicContact CG2-CD2 4.03Å; T113-Y162 HydrophobicContact CG2-CG 3.8Å
114K98.4Very high94.2Very high99 Ų9939.1 Ų39.143%0.4320%0.203SC..Hα-helixtrans-65.3-41177.6-176.1179.8178.5-177.50112.2E110 D111 V112 V116 S117 N118 Y162E110-K114 VanDerWaalsContact O-CB 3.29Å; E110-K114 WeakPolarHBondContact O-CB 3.32Å; E110-K114 PolarHBondContact O-N 2.92Å; D111-K114 PolarHBondContact O-N 3.37Å; V112-K114 VanDerWaalsContact C-N 3.29Å; V112-K114 PolarHBondContact O-N 3.37Å; K114-V116 VanDerWaalsContact C-N 3.32Å; K114-V116 PolarHBondContact O-N 3.41Å; K114-S117 WeakPolarHBondContact O-CB 3.28Å; K114-S117 PolarHBondContact O-N 3.4Å; K114-N118 VanDerWaalsContact O-CG 3.26Å; K114-N118 PolarHBondContact O-N 3.49Å; K114-N118 PolarHBondContact O-ND2 3.02Å; K114-Y162 HydrophobicContact CB-CE1 4.19Å; K114-Y162 HydrophobicContact CG-CE1 4.27Å
115A97.2Very high93.2Very high9 Ų937.3 Ų37.37%0.07419%0.194CC..Hα-helixtrans-65-38.3177.500000111.9E95 D111 V112 L119E95-A115 HydrophobicContact CB-CB 4.21Å; E95-A115 HydrophobicContact CG-CB 3.76Å; D111-A115 WeakPolarHBondContact O-CB 3.48Å; D111-A115 PolarHBondContact O-N 3.01Å; V112-A115 PolarHBondContact O-N 2.96Å; A115-L119 PolarHBondContact O-N 3.43Å
116V97.5Very high91.8Very high0 Ų040.3 Ų40.30%021%0.213CC..Hα-helixtrans-68.6-40173.2-179.70000111.2L88 A92 V112 T113 K114 N118 L119 A120 L141 F143 M156L88-V116 HydrophobicContact CB-CG1 3.76Å; L88-V116 HydrophobicContact CD1-CG1 4.29Å; L88-V116 HydrophobicContact CD2-CG1 3.97Å; L88-V116 HydrophobicContact CG-CG1 4.21Å; A92-V116 HydrophobicContact CB-CG2 3.66Å; V112-V116 WeakPolarHBondContact O-CG2 3.31Å; V112-V116 PolarHBondContact O-N 3.25Å; V112-V116 VanDerWaalsContact O-N 3.1Å; T113-V116 PolarHBondContact O-N 3.45Å; K114-V116 VanDerWaalsContact C-N 3.32Å; K114-V116 PolarHBondContact O-N 3.41Å; V116-N118 PolarHBondContact O-N 2.84Å; V116-L119 PolarHBondContact O-N 3.09Å; V116-A120 PolarHBondContact O-N 3.42Å; V116-L141 HydrophobicContact CG1-CD1 3.98Å; V116-F143 HydrophobicContact CB-CE2 4.49Å; V116-F143 HydrophobicContact CB-CZ 4.31Å; V116-F143 HydrophobicContact CG1-CE2 4.41Å; V116-F143 HydrophobicContact CG1-CZ 4.25Å; V116-F143 HydrophobicContact CG2-CZ 3.93Å; V116-M156 HydrophobicContact CB-SD 4.13Å; V116-M156 HydrophobicContact CG1-CE 4Å; V116-M156 HydrophobicContact CG1-SD 3.74Å
117S96.2Very high90.5Very high6 Ų643 Ų434%0.04223%0.232CC..Hα-helixtrans-56.7-45.9173166.90000112.6T113 K114 L119 A120 L121 G160T113-S117 VanDerWaalsContact O-CB 3.32Å; T113-S117 WeakPolarHBondContact O-CB 3.36Å; T113-S117 PolarHBondContact O-N 3.12Å; K114-S117 WeakPolarHBondContact O-CB 3.28Å; K114-S117 PolarHBondContact O-N 3.4Å; S117-L119 VanDerWaalsContact C-N 3.34Å; S117-L119 PolarHBondContact O-N 3.47Å; S117-A120 CarbonylContact O-C 3.58Å; S117-A120 PolarHBondContact O-N 3.07Å; S117-A120 VanDerWaalsContact O-N 3.12Å; S117-L121 WeakPolarHBondContact O-CG 3.13Å; S117-L121 PolarHBondContact O-N 3.43Å; S117-G160 WeakPolarHBondContact CB-O 3.4Å; S117-G160 PolarHBondContact OG-O 2.94Å
118N93.9Very high88.8Confident86 Ų8645.5 Ų45.546%0.4625%0.245SC..Hα-helixtrans-60.8-42.5176.3-67.5-20.9000111.9K114 V116 A120 L121 A122K114-N118 VanDerWaalsContact O-CG 3.26Å; K114-N118 PolarHBondContact O-N 3.49Å; K114-N118 PolarHBondContact O-ND2 3.02Å; V116-N118 PolarHBondContact O-N 2.84Å; N118-A120 VanDerWaalsContact C-N 3.32Å; N118-A120 PolarHBondContact O-N 3.48Å; N118-L121 PolarHBondContact O-N 3.5Å; N118-A122 PolarHBondContact O-N 2.91Å
119L92.7Very high87.4Confident2 Ų249.1 Ų49.11%0.0126%0.261CS..Hα-helixtrans-63.5-39.5174.6177.861.8000111.7T87 L88 R91 A115 V116 S117 L121 A122 A132 F137T87-L119 HydrophobicContact CG2-CD2 4.47Å; L88-L119 HydrophobicContact CD2-CD2 3.97Å; L88-L119 HydrophobicContact CD2-CG 4.24Å; R91-L119 HydrophobicContact CB-CD2 3.58Å; R91-L119 HydrophobicContact CG-CB 4.18Å; R91-L119 HydrophobicContact CG-CD2 3.59Å; A115-L119 PolarHBondContact O-N 3.43Å; V116-L119 PolarHBondContact O-N 3.09Å; S117-L119 VanDerWaalsContact C-N 3.34Å; S117-L119 PolarHBondContact O-N 3.47Å; L119-L121 PolarHBondContact O-N 3.44Å; L119-A122 PolarHBondContact O-N 3.35Å; L119-A132 HydrophobicContact CD1-CB 3.96Å; L119-F137 HydrophobicContact CG-CE2 4.49Å; L119-F137 HydrophobicContact CG-CZ 4.39Å
120A92Very high86.1Confident1 Ų155 Ų551%0.00830%0.301CS..Hα-helixtrans-69.4-19.4177.700000113.6V116 S117 N118 F123 F137 M156V116-A120 PolarHBondContact O-N 3.42Å; S117-A120 CarbonylContact O-C 3.58Å; S117-A120 PolarHBondContact O-N 3.07Å; S117-A120 VanDerWaalsContact O-N 3.12Å; N118-A120 VanDerWaalsContact C-N 3.32Å; N118-A120 PolarHBondContact O-N 3.48Å; A120-F123 WeakPolarHBondContact O-CD1 3.26Å; A120-F123 WeakPolarHBondContact O-CE1 3.35Å; A120-F137 HydrophobicContact CB-CD2 4.14Å; A120-M156 HydrophobicContact CB-CE 3.24Å
121L89.9Confident84.7Confident88 Ų8853.9 Ų53.946%0.46131%0.306SS..Hα-helixtrans-86-20.6173.9-73.9170.3000113.2S117 N118 L119 F123 S159S117-L121 WeakPolarHBondContact O-CG 3.13Å; S117-L121 PolarHBondContact O-N 3.43Å; N118-L121 PolarHBondContact O-N 3.5Å; L119-L121 PolarHBondContact O-N 3.44Å; L121-F123 PolarHBondContact O-N 3.27Å; L121-S159 VanDerWaalsContact CD2-O 3.26Å; L121-S159 WeakPolarHBondContact CD2-O 3.32Å
122A87.5Confident83.7Confident13 Ų1352 Ų5211%0.10730%0.298CS..  trans-73.19.5-175.200000114.5N118 L119 M128 A132N118-A122 PolarHBondContact O-N 2.91Å; L119-A122 PolarHBondContact O-N 3.35Å; A122-M128 WeakPolarHBondContact O-CE 3.44Å; A122-A132 HydrophobicContact CB-CB 3.99Å
123F81.4Confident82.6Confident14 Ų1454 Ų546%0.06131%0.308CS..THydrogen-bonded Turntrans-69.5140.9176.663.9-98.5000111V12 V24 A120 L121 D125 M133 P136V12-F123 HydrophobicContact CB-CD2 4.08Å; V12-F123 HydrophobicContact CB-CE2 4.35Å; V12-F123 HydrophobicContact CG2-CD2 4.23Å; V24-F123 HydrophobicContact CG2-CE1 4.33Å; V24-F123 HydrophobicContact CG2-CE2 4.27Å; V24-F123 HydrophobicContact CG2-CZ 3.59Å; A120-F123 WeakPolarHBondContact O-CD1 3.26Å; A120-F123 WeakPolarHBondContact O-CE1 3.35Å; L121-F123 PolarHBondContact O-N 3.27Å; F123-D125 PolarHBondContact O-N 3.47Å; F123-M133 VanDerWaalsContact CA-O 3.25Å; F123-M133 WeakPolarHBondContact CA-O 3.44Å; F123-M133 WeakPolarHBondContact CB-O 3.45Å; F123-P136 HydrophobicContact CD1-CB 4.13Å; F123-P136 HydrophobicContact CD1-CG 4.02Å; F123-P136 HydrophobicContact CD2-CG 4.08Å; F123-P136 HydrophobicContact CE1-CB 4.11Å; F123-P136 HydrophobicContact CE1-CG 3.88Å; F123-P136 HydrophobicContact CE2-CG 3.94Å; F123-P136 HydrophobicContact CG-CG 4.15Å; F123-P136 HydrophobicContact CZ-CG 3.86Å
124G71.8Confident81.9Confident26 Ų2658.4 Ų58.427%0.26834%0.339SS..THydrogen-bonded Turntrans71.54.2178.300000115.4N13N13-G124 PolarHBondContact ND2-O 3.42Å; N13-G124 VanDerWaalsContact ND2-O 3.09Å
125D74.6Confident81.6Confident91 Ų9158.2 Ų58.249%0.48734%0.335SS..  trans-71.1141.7165.8-75.2-22.3000109.9F123 D127 M128F123-D125 PolarHBondContact O-N 3.47Å; D125-D127 VanDerWaalsContact C-N 3.3Å; D125-D127 PolarHBondContact O-N 2.74Å; D125-M128 WeakPolarHBondContact O-CG 3.3Å
126D67.8Low81.5Confident169 Ų16958 Ų5890%0.90433%0.333SS*.THydrogen-bonded Turntrans-69.1-32.8179-69.6-40.3000111.6M128D126-M128 PolarHBondContact O-N 3.18Å
127D68.5Low81.4Confident160 Ų16058 Ų5886%0.85633%0.333SS*.THydrogen-bonded Turntrans-97.553.2179.2-67.1-40.8000111.4D125 E129D125-D127 VanDerWaalsContact C-N 3.3Å; D125-D127 PolarHBondContact O-N 2.74Å; D127-E129 PolarHBondContact O-N 2.86Å
128M63.1Low81.4Confident66 Ų6657.9 Ų57.933%0.32533%0.332SS..PPolyproline II helixtrans-52.6122.9-176-61.1-149.885.100112.6A122 D125 D126 A132 M133A122-M128 WeakPolarHBondContact O-CE 3.44Å; D125-M128 WeakPolarHBondContact O-CG 3.3Å; D126-M128 PolarHBondContact O-N 3.18Å; M128-A132 HydrophobicContact CB-CB 4.23Å; M128-A132 HydrophobicContact CE-CB 3.39Å; M128-M133 WeakPolarHBondContact CE-O 3.3Å
129E69Low81.6Confident88 Ų8853.9 Ų53.941%0.41131%0.311SS..PPolyproline II helixtrans-58147.8167.2-170179.9175.600109.6R91 D127 G131 A132R91-E129 IonicContact CZ-OE1 2.73Å; R91-E129 IonicContact NE-OE1 2.58Å; R91-E129 IonicContact NH1-OE1 2.81Å; R91-E129 IonicContact NH2-OE1 2.96Å; D127-E129 PolarHBondContact O-N 2.86Å; E129-G131 PolarHBondContact O-N 2.99Å; E129-A132 VanDerWaalsContact O-CB 3.31Å; E129-A132 WeakPolarHBondContact O-CB 3.42Å; E129-A132 PolarHBondContact O-N 3.15Å
130S71.7Confident81.9Confident122 Ų12253.9 Ų53.985%0.85331%0.311SS*.THydrogen-bonded Turntrans-52.7119.5175.41770000110.9
131G70.1Confident82.2Confident35 Ų3553.9 Ų53.936%0.36131%0.311SS..THydrogen-bonded Turntrans99.6-15.3-179.400000114.4T87 E129T87-G131 WeakPolarHBondContact CG2-O 3.39Å; E129-G131 PolarHBondContact O-N 2.99Å
132A76.1Confident82.6Confident16 Ų1649.7 Ų49.713%0.13229%0.289CS..  trans-64.414317100000109.9L119 A122 M128 E129L119-A132 HydrophobicContact CD1-CB 3.96Å; A122-A132 HydrophobicContact CB-CB 3.99Å; M128-A132 HydrophobicContact CB-CB 4.23Å; M128-A132 HydrophobicContact CE-CB 3.39Å; E129-A132 VanDerWaalsContact O-CB 3.31Å; E129-A132 WeakPolarHBondContact O-CB 3.42Å; E129-A132 PolarHBondContact O-N 3.15Å
133M76.8Confident83.1Confident43 Ų4349.1 Ų49.121%0.21228%0.284CS..  trans-105.9152.9-179.4-66-169.3-174.800111.2F123 M128 R135 F137F123-M133 VanDerWaalsContact CA-O 3.25Å; F123-M133 WeakPolarHBondContact CA-O 3.44Å; F123-M133 WeakPolarHBondContact CB-O 3.45Å; M128-M133 WeakPolarHBondContact CE-O 3.3Å; M133-R135 HydrophobicContact CB-CG 4.41Å; M133-R135 WeakPolarHBondContact CB-O 3.35Å; M133-R135 PolarHBondContact O-N 2.81Å; M133-F137 HydrophobicContact CE-CD1 4.11Å; M133-F137 HydrophobicContact CE-CE1 3.8Å; M133-F137 HydrophobicContact CG-CE1 3.95Å; M133-F137 HydrophobicContact CG-CZ 4.11Å; M133-F137 HydrophobicContact SD-CD1 4.15Å; M133-F137 HydrophobicContact SD-CE1 4.04Å
134S84.7Confident84Confident93 Ų9348.4 Ų48.465%0.6528%0.281SS*.SBendtrans-67.75173.456.40000114.3V12V12-S134 WeakPolarHBondContact CG1-O 3.42Å
135R91.6Very high85.3Confident95 Ų9547.2 Ų47.236%0.35827%0.268SS..SBendtrans-143.4158.8177.960166.1-178.6771.9110.4V12 D84 M133V12-R135 HydrophobicContact CG1-CB 4.39Å; D84-R135 IonicContact OD1-CZ 3.79Å; D84-R135 IonicContact OD1-NH1 3.26Å; D84-R135 IonicContact OD1-NH2 2.72Å; D84-R135 PolarHBondContact OD1-NH2 3Å; D84-R135 IonicContact OD2-CZ 3.34Å; D84-R135 IonicContact OD2-NH1 2.6Å; D84-R135 PolarHBondContact OD2-NH1 2.77Å; D84-R135 IonicContact OD2-NH2 3.4Å; D84-R135 PolarHBondContact OD2-NH2 2.75Å; M133-R135 HydrophobicContact CB-CG 4.41Å; M133-R135 WeakPolarHBondContact CB-O 3.35Å; M133-R135 PolarHBondContact O-N 2.81Å
136P93.9Very high86.4Confident3 Ų343.7 Ų43.72%0.01925%0.25CS..  trans-57.5147.5170.8-21.932.4000112Q23 V24 A27 F123 G138Q23-P136 HydrophobicContact CB-CG 4.49Å; V24-P136 HydrophobicContact CG2-CG 3.85Å; A27-P136 HydrophobicContact CB-CB 3.8Å; F123-P136 HydrophobicContact CD1-CB 4.13Å; F123-P136 HydrophobicContact CD1-CG 4.02Å; F123-P136 HydrophobicContact CD2-CG 4.08Å; F123-P136 HydrophobicContact CE1-CB 4.11Å; F123-P136 HydrophobicContact CE1-CG 3.88Å; F123-P136 HydrophobicContact CE2-CG 3.94Å; F123-P136 HydrophobicContact CG-CG 4.15Å; F123-P136 HydrophobicContact CZ-CG 3.86Å; P136-G138 PolarHBondContact O-N 2.95Å
137F95.5Very high87.8Confident2 Ų236.6 Ų36.61%0.00921%0.212CC..  trans-71.3125.6174.4-65.7-94.3000109.5D84 T87 L88 L119 A120 M133 V139 P158D84-F137 HydrophobicContact CB-CB 4.24Å; D84-F137 HydrophobicContact CB-CD1 3.89Å; D84-F137 WeakPolarHBondContact OD2-CA 3.38Å; T87-F137 HydrophobicContact CG2-CE1 4.01Å; T87-F137 HydrophobicContact CG2-CZ 4.33Å; L88-F137 HydrophobicContact CD1-CB 4.04Å; L88-F137 HydrophobicContact CD1-CD1 4.21Å; L88-F137 HydrophobicContact CD1-CG 4.02Å; L88-F137 HydrophobicContact CD2-CD1 3.99Å; L88-F137 HydrophobicContact CD2-CD2 3.97Å; L88-F137 HydrophobicContact CD2-CE1 3.88Å; L88-F137 HydrophobicContact CD2-CE2 3.86Å; L88-F137 HydrophobicContact CD2-CG 4.04Å; L88-F137 HydrophobicContact CD2-CZ 3.81Å; L88-F137 HydrophobicContact CG-CD1 3.93Å; L88-F137 HydrophobicContact CG-CE1 4.15Å; L88-F137 HydrophobicContact CG-CG 4.16Å; L119-F137 HydrophobicContact CG-CE2 4.49Å; L119-F137 HydrophobicContact CG-CZ 4.39Å; A120-F137 HydrophobicContact CB-CD2 4.14Å; M133-F137 HydrophobicContact CE-CD1 4.11Å; M133-F137 HydrophobicContact CE-CE1 3.8Å; M133-F137 HydrophobicContact CG-CE1 3.95Å; M133-F137 HydrophobicContact CG-CZ 4.11Å; M133-F137 HydrophobicContact SD-CD1 4.15Å; M133-F137 HydrophobicContact SD-CE1 4.04Å; F137-V139 HydrophobicContact CB-CG1 4.08Å; F137-V139 PolarHBondContact O-N 2.9Å; F137-P158 WeakPolarHBondContact O-CB 3.35Å; F137-P158 WeakPolarHBondContact O-CG 3.28Å
138G96.4Very high89.1Confident2 Ų236.7 Ų36.72%0.02121%0.208CC..  trans-82.245.7-178.200000113.5G80 L81 D84 P136G80-G138 WeakPolarHBondContact CA-O 3.17Å; L81-G138 PolarHBondContact N-O 3.45Å; D84-G138 PolarHBondContact OD2-N 2.91Å; P136-G138 PolarHBondContact O-N 2.95Å
139V98Very high90.6Very high3 Ų339.1 Ų39.12%0.01821%0.213CC..EExtended strand (participates in β ladder)trans-136.8139.5-174.565.90000111.9T31 V78 S79 D84 A85 L88 F137 L141 P158T31-V139 VanDerWaalsContact CG2-C 3.44Å; V78-V139 HydrophobicContact CB-CG2 4.16Å; S79-V139 CarbonylContact O-C 3.53Å; S79-V139 WeakPolarHBondContact O-CA 3.31Å; S79-V139 WeakPolarHBondContact O-CG2 3.42Å; D84-V139 HydrophobicContact CB-CG1 4.4Å; A85-V139 HydrophobicContact CB-CB 4.4Å; A85-V139 HydrophobicContact CB-CG2 3.71Å; L88-V139 HydrophobicContact CD1-CG1 3.53Å; F137-V139 HydrophobicContact CB-CG1 4.08Å; F137-V139 PolarHBondContact O-N 2.9Å; V139-L141 HydrophobicContact CG1-CD2 4.32Å; V139-L141 HydrophobicContact CG1-CG 4.48Å; V139-L141 HydrophobicContact CG2-CD2 3.68Å; V139-L141 HydrophobicContact CG2-CG 4.41Å; V139-P158 WeakPolarHBondContact O-CD 3.44Å
140A98.6Very high91.9Very high2 Ų235.9 Ų35.92%0.01720%0.204CC..EExtended strand (participates in β ladder)trans-102.2137.8164.200000109.2T31 S79 M156 I170T31-A140 HydrophobicContact CG2-CB 4.02Å; S79-A140 PolarHBondContact N-O 3.26Å; S79-A140 PolarHBondContact O-N 3.49Å; A140-M156 WeakPolarHBondContact CA-O 3.49Å; A140-I170 HydrophobicContact CB-CB 4.29Å; A140-I170 HydrophobicContact CB-CD1 4.41Å; A140-I170 HydrophobicContact CB-CG2 4.16Å
141L98.8Very high93.1Very high1 Ų130.7 Ų30.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-119.1141.4-176.3-57.4177.3000110.3A77 V78 L88 V116 V139 F143 H155 M156A77-L141 WeakPolarHBondContact O-CA 3.29Å; V78-L141 HydrophobicContact CB-CD2 4.15Å; V78-L141 HydrophobicContact CG1-CD2 3.7Å; L88-L141 HydrophobicContact CB-CD1 4.05Å; L88-L141 HydrophobicContact CD1-CD1 3.8Å; V116-L141 HydrophobicContact CG1-CD1 3.98Å; V139-L141 HydrophobicContact CG1-CD2 4.32Å; V139-L141 HydrophobicContact CG1-CG 4.48Å; V139-L141 HydrophobicContact CG2-CD2 3.68Å; V139-L141 HydrophobicContact CG2-CG 4.41Å; L141-F143 HydrophobicContact CB-CD2 4.28Å; L141-F143 HydrophobicContact CB-CE2 3.9Å; L141-F143 HydrophobicContact CD1-CE2 3.67Å; L141-F143 HydrophobicContact CD1-CZ 3.88Å; L141-F143 HydrophobicContact CG-CE2 4.44Å; L141-H155 WeakPolarHBondContact O-CA 3.16Å; L141-M156 HydrophobicContact CB-CB 4.45Å; L141-M156 HydrophobicContact CD1-SD 4.37Å; L141-M156 PolarHBondContact N-O 3.48Å; L141-M156 PolarHBondContact O-N 2.84Å
142L98.9Very high94.5Very high0 Ų029.1 Ų29.10%015%0.15CC..EExtended strand (participates in β ladder)trans-112.5112163-66.7176000108.3M48 C76 A77 L153 Y154 H155 K168 I170M48-L142 HydrophobicContact CE-CB 3.63Å; M48-L142 WeakPolarHBondContact CE-O 3.32Å; C76-L142 CarbonylContact C-O 3.57Å; C76-L142 VanDerWaalsContact CA-O 3.28Å; C76-L142 WeakPolarHBondContact CA-O 3.42Å; A77-L142 HydrophobicContact CB-CB 4.32Å; A77-L142 PolarHBondContact N-O 3.1Å; A77-L142 PolarHBondContact O-N 2.84Å; L142-L153 HydrophobicContact CB-CD1 4.2Å; L142-L153 HydrophobicContact CD2-CD1 4.38Å; L142-Y154 CarbonylContact C-O 3.42Å; L142-Y154 VanDerWaalsContact CA-O 3.29Å; L142-Y154 WeakPolarHBondContact CA-O 3.33Å; L142-H155 HydrophobicContact CD2-CB 3.82Å; L142-K168 HydrophobicContact CD2-CB 3.93Å; L142-K168 HydrophobicContact CD2-CG 3.72Å; L142-I170 HydrophobicContact CD1-CD1 4.15Å; L142-I170 HydrophobicContact CD1-CG1 4.02Å; L142-I170 HydrophobicContact CD1-CG2 4.49Å; L142-I170 HydrophobicContact CD2-CG2 4.13Å; L142-I170 HydrophobicContact CG-CD1 3.91Å; L142-I170 HydrophobicContact CG-CG1 4.2Å; L142-I170 HydrophobicContact CG-CG2 4.17Å
143F98.9Very high95.5Very high0 Ų028.3 Ų28.30%014%0.144CC..EExtended strand (participates in β ladder)trans-90.7117.8169.4-72.7-81.7000109.3V70 I74 A75 C76 A92 I109 V112 T113 V116 L141 L153 Y154V70-F143 HydrophobicContact CG2-CE1 4.17Å; I74-F143 HydrophobicContact CG2-CD1 4.24Å; A75-F143 WeakPolarHBondContact O-CA 3.44Å; C76-F143 HydrophobicContact CB-CD1 3.93Å; C76-F143 HydrophobicContact CB-CE1 3.78Å; C76-F143 HydrophobicContact CB-CZ 4.47Å; A92-F143 HydrophobicContact CB-CE1 4.02Å; A92-F143 HydrophobicContact CB-CZ 4.35Å; I109-F143 HydrophobicContact CG2-CB 3.95Å; V112-F143 HydrophobicContact CG1-CD1 4.4Å; V112-F143 HydrophobicContact CG1-CE1 4.17Å; T113-F143 HydrophobicContact CG2-CD2 3.99Å; T113-F143 HydrophobicContact CG2-CE2 4.44Å; V116-F143 HydrophobicContact CB-CE2 4.49Å; V116-F143 HydrophobicContact CB-CZ 4.31Å; V116-F143 HydrophobicContact CG1-CE2 4.41Å; V116-F143 HydrophobicContact CG1-CZ 4.25Å; V116-F143 HydrophobicContact CG2-CZ 3.93Å; L141-F143 HydrophobicContact CB-CD2 4.28Å; L141-F143 HydrophobicContact CB-CE2 3.9Å; L141-F143 HydrophobicContact CD1-CE2 3.67Å; L141-F143 HydrophobicContact CD1-CZ 3.88Å; L141-F143 HydrophobicContact CG-CE2 4.44Å; F143-L153 CarbonylContact O-C 3.48Å; F143-L153 WeakPolarHBondContact O-CA 3.36Å; F143-Y154 PolarHBondContact N-O 2.8Å; F143-Y154 PolarHBondContact O-N 3.32Å
144A98.8Very high96.6Very high0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-115.8133.6178.500000109.1V46 M48 I74 A75 Q152 L153V46-A144 HydrophobicContact CB-CB 3.89Å; V46-A144 HydrophobicContact CG1-CB 3.54Å; M48-A144 HydrophobicContact CE-CB 3.82Å; M48-A144 HydrophobicContact CG-CB 3.78Å; M48-A144 HydrophobicContact SD-CB 3.45Å; M48-A144 WeakPolarHBondContact SD-CB 3.42Å; I74-A144 CarbonylContact C-O 3.57Å; I74-A144 WeakPolarHBondContact CA-O 3.29Å; A75-A144 PolarHBondContact N-O 3.39Å; A75-A144 PolarHBondContact O-N 3.46Å; A144-Q152 WeakPolarHBondContact CA-O 3.21Å; A144-L153 HydrophobicContact CB-CD1 4.25Å
145G98.6Very high97.3Very high0 Ų023.2 Ų23.20%011%0.109CC..EExtended strand (participates in β ladder)trans-169.6-179.7177.200000114.3H73 P151 Q152H73-G145 CarbonylContact O-C 3.58Å; H73-G145 WeakPolarHBondContact O-CA 3.13Å; G145-P151 CarbonylContact O-C 3.58Å; G145-P151 WeakPolarHBondContact O-CA 3.32Å; G145-Q152 PolarHBondContact N-O 3.1Å; G145-Q152 PolarHBondContact O-N 3.25Å
146V98.5Very high97.6Very high18 Ų1818.9 Ų18.911%0.1099%0.092CC..EExtended strand (participates in β ladder)trans-129.3115.5174.5179.50000108.7H73 P151 V228 I230H73-V146 WeakPolarHBondContact CB-O 3.38Å; H73-V146 PolarHBondContact CD2-O 3.36Å; H73-V146 PolarHBondContact O-N 3.1Å; V146-P151 HydrophobicContact CG2-CB 4.45Å; V146-P151 HydrophobicContact CG2-CG 4.24Å; V146-V228 HydrophobicContact CG2-CG1 4.34Å; V146-I230 HydrophobicContact CG1-CB 4.43Å; V146-I230 HydrophobicContact CG1-CG1 3.73Å; V146-I230 HydrophobicContact CG2-CG1 4.23Å
147D97.5Very high97.8Very high19 Ų1920.2 Ų20.210%0.10210%0.099CC..EExtended strand (participates in β ladder)trans-118.8-167.2172.859.628.5000110.8T108 I109 R149 G150T108-D147 WeakPolarHBondContact CB-OD2 3.24Å; I109-D147 HydrophobicContact CD1-CB 3.6Å; I109-D147 VanDerWaalsContact CD1-OD2 3.29Å; I109-D147 WeakPolarHBondContact CD1-OD2 3.33Å; I109-D147 PolarHBondContact N-OD2 2.91Å; D147-R149 PolarHBondContact O-N 2.82Å; D147-R149 VanDerWaalsContact O-N 3.09Å; D147-R149 WeakPolarHBondContact OD1-CA 3.4Å; D147-R149 WeakPolarHBondContact OD1-CB 3.29Å; D147-R149 PolarHBondContact OD1-N 2.89Å; D147-G150 PolarHBondContact N-O 2.9Å; D147-G150 WeakPolarHBondContact O-CA 3.39Å; D147-G150 PolarHBondContact O-N 2.92Å
148E95.8Very high97.8Very high162 Ų16220.2 Ų20.276%0.75710%0.1SC*.THydrogen-bonded Turntrans-55.3-22.9177.262.9175.1-162.900113.9G150E148-G150 VanDerWaalsContact C-N 3.27Å
149R95.4Very high97.7Very high118 Ų11821.6 Ų21.645%0.44511%0.109SC..THydrogen-bonded Turntrans-91.57.7179.1-47.5-178.6-168.1164.56.5111.7E110 D147 Q152E110-R149 IonicContact OE2-CZ 3.61Å; E110-R149 IonicContact OE2-NH1 3.32Å; E110-R149 PolarHBondContact OE2-NH1 2.87Å; D147-R149 PolarHBondContact O-N 2.82Å; D147-R149 VanDerWaalsContact O-N 3.09Å; D147-R149 WeakPolarHBondContact OD1-CA 3.4Å; D147-R149 WeakPolarHBondContact OD1-CB 3.29Å; D147-R149 PolarHBondContact OD1-N 2.89Å; R149-Q152 PolarHBondContact O-NE2 3.39Å; R149-Q152 VanDerWaalsContact O-NE2 3.11Å
150G95.9Very high97.5Very high20 Ų2021.7 Ų21.721%0.20611%0.11CC..EExtended strand (participates in β ladder)trans80.9-161.7-175.700000112.7D147 E148 Q152D147-G150 PolarHBondContact N-O 2.9Å; D147-G150 WeakPolarHBondContact O-CA 3.39Å; D147-G150 PolarHBondContact O-N 2.92Å; E148-G150 VanDerWaalsContact C-N 3.27Å; G150-Q152 WeakPolarHBondContact O-CG 3.24Å; G150-Q152 PolarHBondContact O-N 2.93Å; G150-Q152 PolarHBondContact O-NE2 3.08Å; G150-Q152 VanDerWaalsContact O-NE2 3.16Å
151P97.2Very high97.4Very high13 Ų1324.8 Ų24.88%0.08413%0.129CC..EExtended strand (participates in β ladder)trans-58.8129179.9-27.237.3000113.5K41 T42 V46 G145 V146 R164 I230K41-P151 VanDerWaalsContact CD-O 3.26Å; K41-P151 WeakPolarHBondContact CD-O 3.4Å; K41-P151 WeakPolarHBondContact CE-O 3.36Å; K41-P151 HydrophobicContact CG-CB 3.95Å; T42-P151 WeakPolarHBondContact O-CB 3.3Å; T42-P151 WeakPolarHBondContact O-CG 3.39Å; V46-P151 HydrophobicContact CG2-CB 3.86Å; G145-P151 CarbonylContact O-C 3.58Å; G145-P151 WeakPolarHBondContact O-CA 3.32Å; V146-P151 HydrophobicContact CG2-CB 4.45Å; V146-P151 HydrophobicContact CG2-CG 4.24Å; P151-R164 PolarHBondContact O-NH2 2.8Å; P151-I230 HydrophobicContact CG-CD1 4.21Å; P151-I230 HydrophobicContact CG-CG1 4.31Å
152Q98Very high97.3Very high1 Ų127.8 Ų27.81%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-126.2135.7-179.6-54.5-59.2-53.100110.7V46 I109 A144 G145 R149 G150 Y154 R164V46-Q152 WeakPolarHBondContact CG2-O 3.46Å; I109-Q152 HydrophobicContact CB-CB 3.9Å; I109-Q152 HydrophobicContact CB-CG 4.28Å; I109-Q152 HydrophobicContact CD1-CB 4.42Å; I109-Q152 HydrophobicContact CD1-CG 4.34Å; I109-Q152 HydrophobicContact CG1-CB 4.12Å; I109-Q152 HydrophobicContact CG2-CB 4.15Å; A144-Q152 WeakPolarHBondContact CA-O 3.21Å; G145-Q152 PolarHBondContact N-O 3.1Å; G145-Q152 PolarHBondContact O-N 3.25Å; R149-Q152 PolarHBondContact O-NE2 3.39Å; R149-Q152 VanDerWaalsContact O-NE2 3.11Å; G150-Q152 WeakPolarHBondContact O-CG 3.24Å; G150-Q152 PolarHBondContact O-N 2.93Å; G150-Q152 PolarHBondContact O-NE2 3.08Å; G150-Q152 VanDerWaalsContact O-NE2 3.16Å; Q152-Y154 HydrophobicContact CB-CD2 4.23Å; Q152-Y154 HydrophobicContact CB-CE2 4.02Å; Q152-Y154 HydrophobicContact CG-CE2 4.47Å; Q152-R164 VanDerWaalsContact CD-NH2 3.32Å
153L98.7Very high97.3Very high0 Ų031.5 Ų31.50%016%0.16CC..EExtended strand (participates in β ladder)trans-127.8118.8169.3175.968.6000108.5G39 K41 V46 L142 F143 A144 R164 Y165 K168G39-L153 VanDerWaalsContact C-CD2 3.47Å; G39-L153 WeakPolarHBondContact O-CD2 3.36Å; K41-L153 HydrophobicContact CB-CB 4.39Å; V46-L153 HydrophobicContact CG1-CB 4.19Å; V46-L153 HydrophobicContact CG1-CD1 4.14Å; L142-L153 HydrophobicContact CB-CD1 4.2Å; L142-L153 HydrophobicContact CD2-CD1 4.38Å; F143-L153 CarbonylContact O-C 3.48Å; F143-L153 WeakPolarHBondContact O-CA 3.36Å; A144-L153 HydrophobicContact CB-CD1 4.25Å; L153-R164 CarbonylContact O-C 3.56Å; L153-R164 WeakPolarHBondContact O-CA 3.4Å; L153-Y165 PolarHBondContact O-N 3.15Å; L153-K168 HydrophobicContact CD2-CB 4.43Å
154Y98.9Very high97.3Very high12 Ų1236.6 Ų36.65%0.04718%0.179CC..EExtended strand (participates in β ladder)trans-115139.6175-77.3-92.7000110.2I109 E110 L142 F143 Q152 Y162 I163 R164I109-Y154 HydrophobicContact CB-CD2 4.38Å; I109-Y154 HydrophobicContact CG2-CD2 3.6Å; I109-Y154 HydrophobicContact CG2-CE2 4.21Å; E110-Y154 HydrophobicContact CB-CE1 4.46Å; E110-Y154 HydrophobicContact CB-CE2 4.08Å; E110-Y154 HydrophobicContact CG-CE1 4.21Å; L142-Y154 CarbonylContact C-O 3.42Å; L142-Y154 VanDerWaalsContact CA-O 3.29Å; L142-Y154 WeakPolarHBondContact CA-O 3.33Å; F143-Y154 PolarHBondContact N-O 2.8Å; F143-Y154 PolarHBondContact O-N 3.32Å; Q152-Y154 HydrophobicContact CB-CD2 4.23Å; Q152-Y154 HydrophobicContact CB-CE2 4.02Å; Q152-Y154 HydrophobicContact CG-CE2 4.47Å; Y154-Y162 AromaticContact CD1-CD2 3.89Å; Y154-Y162 HydrophobicContact CD1-CD2 3.89Å; Y154-Y162 HydrophobicContact CE1-CD2 4.1Å; Y154-Y162 HydrophobicContact CE1-CE2 4.35Å; Y154-I163 WeakPolarHBondContact CA-O 3.46Å; Y154-R164 HydrophobicContact CD1-CB 4.02Å; Y154-R164 HydrophobicContact CE1-CB 3.63Å; Y154-R164 HydrophobicContact CE1-CG 4.27Å; Y154-R164 HydrophobicContact CE2-CB 4.49Å; Y154-R164 HydrophobicContact CE2-CG 4.26Å
155H98.8Very high97.2Very high17 Ų1739.5 Ų39.58%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-108.3134.6168.3166.9-103.3000108.9L141 L142 Y162 I163 Y165 K168 I170L141-H155 WeakPolarHBondContact O-CA 3.16Å; L142-H155 HydrophobicContact CD2-CB 3.82Å; H155-Y162 CarbonylContact O-C 3.59Å; H155-Y162 WeakPolarHBondContact O-CA 3.37Å; H155-I163 PolarHBondContact N-O 2.88Å; H155-I163 PolarHBondContact O-N 2.82Å; H155-Y165 HydrophobicContact CB-CD2 3.74Å; H155-Y165 HydrophobicContact CB-CE2 3.64Å; H155-K168 HydrophobicContact CB-CG 3.98Å; H155-I170 WeakPolarHBondContact CD2-CG2 3.27Å
156M98.6Very high97Very high3 Ų343.9 Ų43.92%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-128.9138174.8178.6-171.416200109.2T113 V116 A120 A140 L141 T161T113-M156 HydrophobicContact CG2-CB 4.24Å; V116-M156 HydrophobicContact CB-SD 4.13Å; V116-M156 HydrophobicContact CG1-CE 4Å; V116-M156 HydrophobicContact CG1-SD 3.74Å; A120-M156 HydrophobicContact CB-CE 3.24Å; A140-M156 WeakPolarHBondContact CA-O 3.49Å; L141-M156 HydrophobicContact CB-CB 4.45Å; L141-M156 HydrophobicContact CD1-SD 4.37Å; L141-M156 PolarHBondContact N-O 3.48Å; L141-M156 PolarHBondContact O-N 2.84Å; M156-T161 WeakPolarHBondContact CA-O 3.46Å
157D97.2Very high96.9Very high32 Ų3243.5 Ų43.517%0.17121%0.21CC..  trans-120.1174.217972.838.7000112S159 G160 T161D157-S159 PolarHBondContact O-N 3.43Å; D157-S159 VanDerWaalsContact OD1-CB 3.24Å; D157-S159 WeakPolarHBondContact OD1-CB 3.39Å; D157-S159 PolarHBondContact OD1-N 3.35Å; D157-S159 PolarHBondContact OD1-OG 2.9Å; D157-G160 PolarHBondContact O-N 3.2Å; D157-T161 PolarHBondContact N-O 3.42Å
158P96Very high96.9Very high2 Ų244.6 Ų44.61%0.01321%0.214CC..THydrogen-bonded Turntrans-57.2-16.7-177.7-31.439.1000116.3A27 I28 T31 F137 V139 G160A27-P158 HydrophobicContact CB-CB 3.62Å; A27-P158 HydrophobicContact CB-CG 4.03Å; I28-P158 HydrophobicContact CG1-CB 4.19Å; I28-P158 HydrophobicContact CG1-CG 4.18Å; T31-P158 HydrophobicContact CG2-CG 3.56Å; F137-P158 WeakPolarHBondContact O-CB 3.35Å; F137-P158 WeakPolarHBondContact O-CG 3.28Å; V139-P158 WeakPolarHBondContact O-CD 3.44Å; P158-G160 PolarHBondContact O-N 3.09Å
159S94.2Very high97Very high31 Ų3137 Ų3722%0.21718%0.178CC..THydrogen-bonded Turntrans-76.1-5.4176.473.30000113.4L121 D157 T161L121-S159 VanDerWaalsContact CD2-O 3.26Å; L121-S159 WeakPolarHBondContact CD2-O 3.32Å; D157-S159 PolarHBondContact O-N 3.43Å; D157-S159 VanDerWaalsContact OD1-CB 3.24Å; D157-S159 WeakPolarHBondContact OD1-CB 3.39Å; D157-S159 PolarHBondContact OD1-N 3.35Å; D157-S159 PolarHBondContact OD1-OG 2.9Å; S159-T161 PolarHBondContact O-N 2.86Å; S159-T161 WeakPolarHBondContact OG-CB 3.5Å; S159-T161 PolarHBondContact OG-N 3.17Å; S159-T161 PolarHBondContact OG-OG1 2.7Å
160G93.2Very high97.2Very high4 Ų431.6 Ų31.64%0.04116%0.158CC..SBendtrans79.8-8.6-169.100000113S117 D157 P158 Y162S117-G160 WeakPolarHBondContact CB-O 3.4Å; S117-G160 PolarHBondContact OG-O 2.94Å; D157-G160 PolarHBondContact O-N 3.2Å; P158-G160 PolarHBondContact O-N 3.09Å; G160-Y162 PolarHBondContact O-N 3.4Å
161T96.8Very high97.3Very high68 Ų6830.8 Ų30.842%0.41715%0.15SC..  trans-63.6130.1175-58.10000109.8M156 D157 S159 I163M156-T161 WeakPolarHBondContact CA-O 3.46Å; D157-T161 PolarHBondContact N-O 3.42Å; S159-T161 PolarHBondContact O-N 2.86Å; S159-T161 WeakPolarHBondContact OG-CB 3.5Å; S159-T161 PolarHBondContact OG-N 3.17Å; S159-T161 PolarHBondContact OG-OG1 2.7Å; T161-I163 HydrophobicContact CG2-CD1 4.15Å; T161-I163 HydrophobicContact CG2-CG1 4.09Å
162Y98.2Very high97.3Very high63 Ų6332.9 Ų32.925%0.24717%0.165CC..EExtended strand (participates in β ladder)trans-126.4140.6170.568.8-89.7000111.5E110 T113 K114 Y154 H155 G160E110-Y162 HydrophobicContact CG-CE2 4.13Å; T113-Y162 HydrophobicContact CG2-CD2 4.03Å; T113-Y162 HydrophobicContact CG2-CG 3.8Å; K114-Y162 HydrophobicContact CB-CE1 4.19Å; K114-Y162 HydrophobicContact CG-CE1 4.27Å; Y154-Y162 AromaticContact CD1-CD2 3.89Å; Y154-Y162 HydrophobicContact CD1-CD2 3.89Å; Y154-Y162 HydrophobicContact CE1-CD2 4.1Å; Y154-Y162 HydrophobicContact CE1-CE2 4.35Å; H155-Y162 CarbonylContact O-C 3.59Å; H155-Y162 WeakPolarHBondContact O-CA 3.37Å; G160-Y162 PolarHBondContact O-N 3.4Å
163I98.5Very high97.3Very high79 Ų7933.5 Ų33.541%0.40517%0.171SC..EExtended strand (participates in β ladder)trans-140.3140.5-175.5-61.1172.7000109.1Y154 H155 T161 Y165Y154-I163 WeakPolarHBondContact CA-O 3.46Å; H155-I163 PolarHBondContact N-O 2.88Å; H155-I163 PolarHBondContact O-N 2.82Å; T161-I163 HydrophobicContact CG2-CD1 4.15Å; T161-I163 HydrophobicContact CG2-CG1 4.09Å; I163-Y165 HydrophobicContact CB-CD2 4.37Å; I163-Y165 HydrophobicContact CB-CE2 3.61Å; I163-Y165 HydrophobicContact CG2-CD2 4.15Å; I163-Y165 HydrophobicContact CG2-CE2 3.55Å; I163-Y165 VanDerWaalsContact O-CD2 3.24Å; I163-Y165 WeakPolarHBondContact O-CD2 3.38Å
164R98.2Very high97.2Very high106 Ų10634.6 Ų34.640%0.418%0.179SC..EExtended strand (participates in β ladder)trans-80.4138.2174-169.5-179.6173.9-174.45.1111.3P151 Q152 L153 Y154P151-R164 PolarHBondContact O-NH2 2.8Å; Q152-R164 VanDerWaalsContact CD-NH2 3.32Å; L153-R164 CarbonylContact O-C 3.56Å; L153-R164 WeakPolarHBondContact O-CA 3.4Å; Y154-R164 HydrophobicContact CD1-CB 4.02Å; Y154-R164 HydrophobicContact CE1-CB 3.63Å; Y154-R164 HydrophobicContact CE1-CG 4.27Å; Y154-R164 HydrophobicContact CE2-CB 4.49Å; Y154-R164 HydrophobicContact CE2-CG 4.26Å
165Y97.1Very high97.1Very high62 Ų6240.5 Ų40.524%0.24321%0.207CC..  trans-129.9153.9-179.9-73.3-89.1000112.6L153 H155 I163 K168L153-Y165 PolarHBondContact O-N 3.15Å; H155-Y165 HydrophobicContact CB-CD2 3.74Å; H155-Y165 HydrophobicContact CB-CE2 3.64Å; I163-Y165 HydrophobicContact CB-CD2 4.37Å; I163-Y165 HydrophobicContact CB-CE2 3.61Å; I163-Y165 HydrophobicContact CG2-CD2 4.15Å; I163-Y165 HydrophobicContact CG2-CE2 3.55Å; I163-Y165 VanDerWaalsContact O-CD2 3.24Å; I163-Y165 WeakPolarHBondContact O-CD2 3.38Å; Y165-K168 HydrophobicContact CD1-CB 4.31Å; Y165-K168 HydrophobicContact CD1-CD 4.24Å; Y165-K168 HydrophobicContact CD2-CB 4.23Å; Y165-K168 HydrophobicContact CD2-CD 4.41Å; Y165-K168 HydrophobicContact CD2-CG 4.31Å; Y165-K168 HydrophobicContact CE1-CD 4.1Å; Y165-K168 HydrophobicContact CE2-CD 4.24Å; Y165-K168 HydrophobicContact CG-CB 3.93Å; Y165-K168 HydrophobicContact CG-CD 4.42Å; Y165-K168 HydrophobicContact CG-CG 4.4Å
166E93.9Very high97.1Very high92 Ų9241.2 Ų41.243%0.4322%0.22SC..SBendtrans-79.5-38.7162.4-64.5-60.3157.800110.7K41 Y185K41-E166 VanDerWaalsContact CB-O 3.24Å; K41-E166 WeakPolarHBondContact CB-O 3.32Å; K41-E166 WeakPolarHBondContact CD-OE2 3.12Å; K41-E166 WeakPolarHBondContact CE-OE2 3.25Å; K41-E166 PolarHBondContact N-O 2.99Å; K41-E166 VanDerWaalsContact NZ-CD 3.27Å; K41-E166 IonicContact NZ-OE1 2.88Å; K41-E166 PolarHBondContact NZ-OE1 2.85Å; K41-E166 IonicContact NZ-OE2 3.48Å; K41-E166 PolarHBondContact NZ-OE2 3.29Å; E166-Y185 HydrophobicContact CB-CE1 3.89Å; E166-Y185 PolarHBondContact O-OH 3.42Å; E166-Y185 VanDerWaalsContact O-OH 3.04Å
167A96.2Very high97.1Very high10 Ų1041.1 Ų41.18%0.08322%0.219CC..EExtended strand (participates in β ladder)trans-152.8147.7167.400000110.7G39 I40 L181 Y185G39-A167 CarbonylContact O-C 3.56Å; G39-A167 WeakPolarHBondContact O-CA 3.48Å; G39-A167 WeakPolarHBondContact O-CB 3.39Å; I40-A167 HydrophobicContact CG1-CB 4.35Å; I40-A167 HydrophobicContact CG2-CB 4.42Å; A167-L181 HydrophobicContact CB-CD1 4.12Å; A167-L181 HydrophobicContact CB-CD2 3.98Å; A167-L181 HydrophobicContact CB-CG 4.45Å; A167-Y185 HydrophobicContact CB-CD2 4.29Å; A167-Y185 HydrophobicContact CB-CE2 3.45Å; A167-Y185 VanDerWaalsContact CB-CE2 3.45Å
168K97.9Very high97.1Very high41 Ų4141.5 Ų41.518%0.17822%0.22CC..EExtended strand (participates in β ladder)trans-149.3139.1-176.6-179.764.4173.7178.40111G39 L142 L153 H155 Y165 I170G39-K168 PolarHBondContact N-O 2.8Å; G39-K168 PolarHBondContact O-N 2.94Å; L142-K168 HydrophobicContact CD2-CB 3.93Å; L142-K168 HydrophobicContact CD2-CG 3.72Å; L153-K168 HydrophobicContact CD2-CB 4.43Å; H155-K168 HydrophobicContact CB-CG 3.98Å; Y165-K168 HydrophobicContact CD1-CB 4.31Å; Y165-K168 HydrophobicContact CD1-CD 4.24Å; Y165-K168 HydrophobicContact CD2-CB 4.23Å; Y165-K168 HydrophobicContact CD2-CD 4.41Å; Y165-K168 HydrophobicContact CD2-CG 4.31Å; Y165-K168 HydrophobicContact CE1-CD 4.1Å; Y165-K168 HydrophobicContact CE2-CD 4.24Å; Y165-K168 HydrophobicContact CG-CB 3.93Å; Y165-K168 HydrophobicContact CG-CD 4.42Å; Y165-K168 HydrophobicContact CG-CG 4.4Å; K168-I170 HydrophobicContact CG-CG2 4.46Å
169A98.7Very high97.2Very high2 Ų247.2 Ų47.22%0.01725%0.246CC..EExtended strand (participates in β ladder)trans-107.9148.4167.100000111.8G37 I38 A177 Q178 L181G37-A169 CarbonylContact O-C 3.56Å; G37-A169 VanDerWaalsContact O-CA 3.25Å; G37-A169 WeakPolarHBondContact O-CA 3.47Å; I38-A169 HydrophobicContact CG1-CB 4.32Å; A169-A177 HydrophobicContact CB-CB 3.58Å; A169-Q178 HydrophobicContact CB-CB 4.49Å; A169-Q178 VanDerWaalsContact N-OE1 3.08Å; A169-L181 HydrophobicContact CB-CD1 4.18Å
170I98.6Very high97.3Very high5 Ų546.2 Ų46.23%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-135.9163.3175.959.6167.7000110.6T36 G37 A140 L142 H155 K168T36-I170 CarbonylContact C-O 3.52Å; T36-I170 WeakPolarHBondContact CA-O 3.43Å; G37-I170 PolarHBondContact N-O 2.64Å; G37-I170 PolarHBondContact O-N 3.04Å; A140-I170 HydrophobicContact CB-CB 4.29Å; A140-I170 HydrophobicContact CB-CD1 4.41Å; A140-I170 HydrophobicContact CB-CG2 4.16Å; L142-I170 HydrophobicContact CD1-CD1 4.15Å; L142-I170 HydrophobicContact CD1-CG1 4.02Å; L142-I170 HydrophobicContact CD1-CG2 4.49Å; L142-I170 HydrophobicContact CD2-CG2 4.13Å; L142-I170 HydrophobicContact CG-CD1 3.91Å; L142-I170 HydrophobicContact CG-CG1 4.2Å; L142-I170 HydrophobicContact CG-CG2 4.17Å; H155-I170 WeakPolarHBondContact CD2-CG2 3.27Å; K168-I170 HydrophobicContact CG-CG2 4.46Å
171G98.2Very high97.3Very high3 Ų346.1 Ų46.13%0.03124%0.239CC..SBendtrans87.9-169.5-179.400000114.3S79 G173 S174S79-G171 WeakPolarHBondContact OG-CA 3.45Å; G171-G173 PolarHBondContact O-N 3.31Å; G171-S174 WeakPolarHBondContact O-CB 3.46Å; G171-S174 PolarHBondContact O-N 3.02Å; G171-S174 VanDerWaalsContact O-N 3.1Å; G171-S174 PolarHBondContact O-OG 3.24Å
172S97.2Very high97.1Very high58 Ų5848.5 Ų48.541%0.40625%0.245SC..THydrogen-bonded Turntrans-64.6-36.2-16967.30000115K32 G34 R53 S174K32-S172 WeakPolarHBondContact O-CA 3.49Å; K32-S172 WeakPolarHBondContact O-CB 3.43Å; K32-S172 PolarHBondContact O-N 3.2Å; G34-S172 WeakPolarHBondContact O-CB 3.43Å; G34-S172 PolarHBondContact O-N 3.31Å; G34-S172 PolarHBondContact O-OG 3.37Å; R53-S172 PolarHBondContact NH2-OG 2.8Å; S172-S174 VanDerWaalsContact C-N 3.27Å; S172-S174 PolarHBondContact O-N 3.24Å
173G97.2Very high96.6Very high13 Ų1350.9 Ų50.913%0.13426%0.258CS..THydrogen-bonded Turntrans-86.79.9177.200000113.7T36 G171 E175 G176 A177T36-G173 VanDerWaalsContact OG1-CA 3.32Å; T36-G173 WeakPolarHBondContact OG1-CA 2.95Å; T36-G173 PolarHBondContact OG1-N 3.4Å; G171-G173 PolarHBondContact O-N 3.31Å; G173-E175 VanDerWaalsContact C-N 3.33Å; G173-E175 PolarHBondContact O-N 2.78Å; G173-G176 PolarHBondContact O-N 3.42Å; G173-A177 VanDerWaalsContact O-CB 3.31Å; G173-A177 WeakPolarHBondContact O-CB 3.43Å; G173-A177 PolarHBondContact O-N 3.4Å
174S98.1Very high95.9Very high23 Ų2348.5 Ų48.516%0.16125%0.246CC..Hα-helixtrans-63-34.8-16865.70000113.9G171 S172 Q178G171-S174 WeakPolarHBondContact O-CB 3.46Å; G171-S174 PolarHBondContact O-N 3.02Å; G171-S174 VanDerWaalsContact O-N 3.1Å; G171-S174 PolarHBondContact O-OG 3.24Å; S172-S174 VanDerWaalsContact C-N 3.27Å; S172-S174 PolarHBondContact O-N 3.24Å; S174-Q178 WeakPolarHBondContact O-CB 3.17Å; S174-Q178 PolarHBondContact O-N 3.15Å
175E97.3Very high94.9Very high136 Ų13645 Ų4564%0.63623%0.233SC*.Hα-helixtrans-66-50.7-178.2-66.8-176.1175.800111.4G173 Q178 Q179G173-E175 VanDerWaalsContact C-N 3.33Å; G173-E175 PolarHBondContact O-N 2.78Å; E175-Q178 PolarHBondContact O-N 3.09Å; E175-Q179 WeakPolarHBondContact O-CG 3.45Å; E175-Q179 PolarHBondContact O-N 3.28Å; E175-Q179 VanDerWaalsContact O-N 3.13Å
176G98.2Very high93.8Very high33 Ų3347.5 Ų47.534%0.3425%0.247SC..Hα-helixtrans-63.5-41.6175.500000112.1G173 Q178 Q179 A180G173-G176 PolarHBondContact O-N 3.42Å; G176-Q178 VanDerWaalsContact C-N 3.34Å; G176-Q178 PolarHBondContact O-N 3.32Å; G176-Q179 PolarHBondContact O-N 3.14Å; G176-A180 PolarHBondContact O-N 3.29Å
177A98.5Very high92.4Very high0 Ų049.4 Ų49.40%025%0.254CS..Hα-helixtrans-64.8-38.3177.500000112.3T36 I38 A169 G173 A180 L181 I209 V213T36-A177 HydrophobicContact CG2-CB 4.34Å; I38-A177 HydrophobicContact CD1-CB 4.15Å; I38-A177 HydrophobicContact CG1-CB 4.39Å; A169-A177 HydrophobicContact CB-CB 3.58Å; G173-A177 VanDerWaalsContact O-CB 3.31Å; G173-A177 WeakPolarHBondContact O-CB 3.43Å; G173-A177 PolarHBondContact O-N 3.4Å; A177-A180 PolarHBondContact O-N 2.99Å; A177-L181 VanDerWaalsContact O-CG 3.3Å; A177-L181 WeakPolarHBondContact O-CG 3.41Å; A177-L181 PolarHBondContact O-N 3.35Å; A177-I209 HydrophobicContact CB-CG2 3.66Å; A177-V213 HydrophobicContact CB-CG1 4.25Å; A177-V213 HydrophobicContact CB-CG2 4.38Å
178Q97.9Very high90.6Very high40 Ų4050 Ų5019%0.18726%0.255CS..Hα-helixtrans-66.3-38.4177.9-170.865.254.400111.9A169 S174 E175 G176 L181 Q182A169-Q178 HydrophobicContact CB-CB 4.49Å; A169-Q178 VanDerWaalsContact N-OE1 3.08Å; S174-Q178 WeakPolarHBondContact O-CB 3.17Å; S174-Q178 PolarHBondContact O-N 3.15Å; E175-Q178 PolarHBondContact O-N 3.09Å; G176-Q178 VanDerWaalsContact C-N 3.34Å; G176-Q178 PolarHBondContact O-N 3.32Å; Q178-L181 PolarHBondContact O-N 2.9Å; Q178-Q182 WeakPolarHBondContact O-CG 3.45Å; Q178-Q182 PolarHBondContact O-N 2.81Å
179Q97.3Very high88.7Confident122 Ų12250.7 Ų50.757%0.5727%0.265SS*.Hα-helixtrans-63.6-47.4173.8-69.9174.210.600111E175 G176 L181 Q182 E183E175-Q179 WeakPolarHBondContact O-CG 3.45Å; E175-Q179 PolarHBondContact O-N 3.28Å; E175-Q179 VanDerWaalsContact O-N 3.13Å; G176-Q179 PolarHBondContact O-N 3.14Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 2.8Å; Q179-Q182 WeakPolarHBondContact O-CB 3.32Å; Q179-Q182 PolarHBondContact O-N 2.95Å; Q179-Q182 VanDerWaalsContact O-N 3.09Å; Q179-E183 PolarHBondContact O-N 3.43Å
180A95.6Very high86.7Confident11 Ų1155.8 Ų55.89%0.09129%0.292CS..Hα-helixtrans-60.7-39.417700000112.4G176 A177 E183 I184 I209G176-A180 PolarHBondContact O-N 3.29Å; A177-A180 PolarHBondContact O-N 2.99Å; A180-E183 PolarHBondContact O-N 3.44Å; A180-I184 WeakPolarHBondContact O-CD1 3.46Å; A180-I184 WeakPolarHBondContact O-CG1 3.31Å; A180-I184 PolarHBondContact O-N 3.18Å; A180-I184 VanDerWaalsContact O-N 3.12Å; A180-I209 HydrophobicContact CB-CD1 4.29Å; A180-I209 HydrophobicContact CB-CG1 3.92Å; A180-I209 HydrophobicContact CB-CG2 3.92Å
181L94.4Very high84.5Confident2 Ų260.7 Ų60.71%0.0132%0.319CS..Hα-helixtrans-60.1-46.7172.4-75169.5000111.4I38 I40 A167 A169 A177 Q178 Q179 E183 I184 Y185 I209I38-L181 HydrophobicContact CG2-CD1 4.15Å; I38-L181 HydrophobicContact CG2-CD2 4.1Å; I40-L181 HydrophobicContact CD1-CD2 3.75Å; I40-L181 HydrophobicContact CG1-CD2 3.87Å; A167-L181 HydrophobicContact CB-CD1 4.12Å; A167-L181 HydrophobicContact CB-CD2 3.98Å; A167-L181 HydrophobicContact CB-CG 4.45Å; A169-L181 HydrophobicContact CB-CD1 4.18Å; A177-L181 VanDerWaalsContact O-CG 3.3Å; A177-L181 WeakPolarHBondContact O-CG 3.41Å; A177-L181 PolarHBondContact O-N 3.35Å; Q178-L181 PolarHBondContact O-N 2.9Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 2.8Å; L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.99Å; L181-I184 PolarHBondContact O-N 2.73Å; L181-Y185 WeakPolarHBondContact O-CD2 3.44Å; L181-Y185 PolarHBondContact O-N 2.81Å; L181-I209 HydrophobicContact CD2-CD1 3.48Å; L181-I209 VanDerWaalsContact CD2-CD1 3.48Å; L181-I209 HydrophobicContact CG-CD1 3.76Å
182Q91.8Very high82.2Confident118 Ų11868.1 Ų68.155%0.55136%0.356SS*.Hα-helixtrans-60.3-41.4178.6-74.6172.6-7.700112.1Q178 Q179 I184 Y185 H186Q178-Q182 WeakPolarHBondContact O-CG 3.45Å; Q178-Q182 PolarHBondContact O-N 2.81Å; Q179-Q182 WeakPolarHBondContact O-CB 3.32Å; Q179-Q182 PolarHBondContact O-N 2.95Å; Q179-Q182 VanDerWaalsContact O-N 3.09Å; Q182-I184 PolarHBondContact O-N 3.47Å; Q182-Y185 PolarHBondContact O-N 2.89Å; Q182-H186 VanDerWaalsContact O-CB 3.32Å; Q182-H186 WeakPolarHBondContact O-CB 3.5Å; Q182-H186 PolarHBondContact O-N 2.58Å
183E88.6Confident79.9Confident113 Ų11369.6 Ų69.653%0.52836%0.36SS..Hα-helixtrans-62.6-42.2176.7-70.5-177.8-169.600112.6Q179 A180 L181 H186 K187Q179-E183 PolarHBondContact O-N 3.43Å; A180-E183 PolarHBondContact O-N 3.44Å; L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.99Å; E183-H186 PolarHBondContact O-N 3.33Å; E183-K187 WeakPolarHBondContact O-CB 3.49Å; E183-K187 VanDerWaalsContact O-CG 3.28Å; E183-K187 WeakPolarHBondContact O-CG 3.35Å; E183-K187 PolarHBondContact O-N 2.96Å
184I82.2Confident77.7Confident28 Ų2870.9 Ų70.914%0.14437%0.365CS..Hα-helixtrans-61.9-50.3176.6-70163.6000109.3A180 L181 Q182 H186 K187 I188 H205 I209A180-I184 WeakPolarHBondContact O-CD1 3.46Å; A180-I184 WeakPolarHBondContact O-CG1 3.31Å; A180-I184 PolarHBondContact O-N 3.18Å; A180-I184 VanDerWaalsContact O-N 3.12Å; L181-I184 PolarHBondContact O-N 2.73Å; Q182-I184 PolarHBondContact O-N 3.47Å; I184-H186 VanDerWaalsContact C-N 3.34Å; I184-H186 PolarHBondContact O-N 2.82Å; I184-K187 PolarHBondContact O-N 3.1Å; I184-I188 HydrophobicContact CG2-CD1 3.51Å; I184-I188 WeakPolarHBondContact O-CD1 3.4Å; I184-I188 WeakPolarHBondContact O-CG1 3.48Å; I184-I188 PolarHBondContact O-N 2.91Å; I184-I188 VanDerWaalsContact O-N 3.14Å; I184-H205 HydrophobicContact CD1-CB 4.08Å; I184-I209 HydrophobicContact CD1-CD1 3.55Å; I184-I209 HydrophobicContact CD1-CG1 3.94Å
185Y78.8Confident75.5Confident33 Ų3374.3 Ų74.313%0.12938%0.384CS..Hα-helixtrans-63.3-37.3178.9-88.2-97.8000112.8I40 K41 E166 A167 L181 Q182 I188 S189 V194I40-Y185 HydrophobicContact CG2-CE2 4.17Å; I40-Y185 VanDerWaalsContact CG2-OH 3.28Å; I40-Y185 WeakPolarHBondContact CG2-OH 3.4Å; K41-Y185 PolarHBondContact O-OH 3.26Å; K41-Y185 VanDerWaalsContact O-OH 3.09Å; E166-Y185 HydrophobicContact CB-CE1 3.89Å; E166-Y185 PolarHBondContact O-OH 3.42Å; E166-Y185 VanDerWaalsContact O-OH 3.04Å; A167-Y185 HydrophobicContact CB-CD2 4.29Å; A167-Y185 HydrophobicContact CB-CE2 3.45Å; A167-Y185 VanDerWaalsContact CB-CE2 3.45Å; L181-Y185 WeakPolarHBondContact O-CD2 3.44Å; L181-Y185 PolarHBondContact O-N 2.81Å; Q182-Y185 PolarHBondContact O-N 2.89Å; Y185-I188 PolarHBondContact O-N 3.45Å; Y185-S189 WeakPolarHBondContact O-CB 3.4Å; Y185-S189 PolarHBondContact O-N 2.8Å; Y185-S189 PolarHBondContact O-OG 2.87Å; Y185-V194 HydrophobicContact CD1-CG1 3.63Å; Y185-V194 HydrophobicContact CD1-CG2 4.38Å; Y185-V194 HydrophobicContact CE1-CG1 3.49Å; Y185-V194 VanDerWaalsContact CE1-CG1 3.49Å
186H73.1Confident73.6Confident115 Ų11575.8 Ų75.853%0.53239%0.385SS..Hα-helixtrans-66.7-43.4177.8-171.170.7000112.4Q182 E183 I184 I188 S189 N190Q182-H186 VanDerWaalsContact O-CB 3.32Å; Q182-H186 WeakPolarHBondContact O-CB 3.5Å; Q182-H186 PolarHBondContact O-N 2.58Å; E183-H186 PolarHBondContact O-N 3.33Å; I184-H186 VanDerWaalsContact C-N 3.34Å; I184-H186 PolarHBondContact O-N 2.82Å; H186-I188 PolarHBondContact O-N 3.38Å; H186-S189 WeakPolarHBondContact CA-OG 3.48Å; H186-S189 PolarHBondContact O-N 2.87Å; H186-S189 PolarHBondContact O-OG 2.95Å; H186-S189 VanDerWaalsContact O-OG 3.09Å; H186-N190 PolarHBondContact CD2-ND2 2.9Å; H186-N190 PolarHBondContact NE2-ND2 3.24Å; H186-N190 PolarHBondContact O-N 3.04Å; H186-N190 VanDerWaalsContact O-N 3.15Å; H186-N190 PolarHBondContact O-ND2 3.2Å
187K65.1Low72.4Confident132 Ų13275.1 Ų75.157%0.57437%0.374SS*.Hα-helixtrans-60.3-32.7174.9-73.5169.2-176.5166.70111.8E183 I184 N191E183-K187 WeakPolarHBondContact O-CB 3.49Å; E183-K187 VanDerWaalsContact O-CG 3.28Å; E183-K187 WeakPolarHBondContact O-CG 3.35Å; E183-K187 PolarHBondContact O-N 2.96Å; I184-K187 PolarHBondContact O-N 3.1Å; K187-N191 PolarHBondContact O-ND2 3.25Å
188I58.4Low71.9Confident22 Ų2281.1 Ų81.111%0.11340%0.4CS..Hα-helixtrans-85.6-38.1-178.3-62.8160.2000111.5I184 Y185 H186 N191 L192 L193 V194 L197I184-I188 HydrophobicContact CG2-CD1 3.51Å; I184-I188 WeakPolarHBondContact O-CD1 3.4Å; I184-I188 WeakPolarHBondContact O-CG1 3.48Å; I184-I188 PolarHBondContact O-N 2.91Å; I184-I188 VanDerWaalsContact O-N 3.14Å; Y185-I188 PolarHBondContact O-N 3.45Å; H186-I188 PolarHBondContact O-N 3.38Å; I188-N191 CarbonylContact O-C 3.52Å; I188-N191 WeakPolarHBondContact O-CA 2.88Å; I188-N191 PolarHBondContact O-N 3.48Å; I188-L192 PolarHBondContact O-N 2.94Å; I188-L193 HydrophobicContact CG2-CB 3.74Å; I188-L193 PolarHBondContact O-N 3.38Å; I188-L193 VanDerWaalsContact O-N 3.15Å; I188-V194 HydrophobicContact CB-CG2 4.14Å; I188-V194 HydrophobicContact CG2-CB 4.23Å; I188-V194 HydrophobicContact CG2-CG2 3.72Å; I188-V194 VanDerWaalsContact CG2-N 3.28Å; I188-L197 HydrophobicContact CD1-CD1 3.67Å; I188-L197 HydrophobicContact CD1-CD2 3.58Å; I188-L197 HydrophobicContact CD1-CG 4.16Å; I188-L197 HydrophobicContact CG1-CD2 4.26Å; I188-L197 HydrophobicContact CG2-CD1 4.33Å; I188-L197 HydrophobicContact CG2-CD2 4.15Å; I188-L197 HydrophobicContact CG2-CG 4.26Å
189S57.1Low71.6Confident56 Ų5680.3 Ų80.339%0.39240%0.397SS..Hα-helixtrans-65.9-37.817965.50000112.3Y185 H186 N191 L192Y185-S189 WeakPolarHBondContact O-CB 3.4Å; Y185-S189 PolarHBondContact O-N 2.8Å; Y185-S189 PolarHBondContact O-OG 2.87Å; H186-S189 WeakPolarHBondContact CA-OG 3.48Å; H186-S189 PolarHBondContact O-N 2.87Å; H186-S189 PolarHBondContact O-OG 2.95Å; H186-S189 VanDerWaalsContact O-OG 3.09Å; S189-N191 PolarHBondContact O-N 2.83Å; S189-N191 VanDerWaalsContact O-N 3.08Å; S189-L192 PolarHBondContact O-N 3.13Å
190N57.2Low71.4Confident108 Ų10878.2 Ų78.258%0.57839%0.389SS*.THydrogen-bonded Turntrans-61.5-16.6172.7-70.9-21.8000112.5H186H186-N190 PolarHBondContact CD2-ND2 2.9Å; H186-N190 PolarHBondContact NE2-ND2 3.24Å; H186-N190 PolarHBondContact O-N 3.04Å; H186-N190 VanDerWaalsContact O-N 3.15Å; H186-N190 PolarHBondContact O-ND2 3.2Å
191N52.2Low71.3Confident109 Ų10980.4 Ų80.458%0.58340%0.401SS*.THydrogen-bonded Turntrans-108.214.6176.5-68.8-47.4000113.7K187 I188 S189 L193K187-N191 PolarHBondContact O-ND2 3.25Å; I188-N191 CarbonylContact O-C 3.52Å; I188-N191 WeakPolarHBondContact O-CA 2.88Å; I188-N191 PolarHBondContact O-N 3.48Å; S189-N191 PolarHBondContact O-N 2.83Å; S189-N191 VanDerWaalsContact O-N 3.08Å; N191-L193 HydrophobicContact CB-CB 4.48Å; N191-L193 HydrophobicContact CB-CD1 4.07Å; N191-L193 HydrophobicContact CB-CG 4.49Å; N191-L193 WeakPolarHBondContact O-CG 3.26Å; N191-L193 PolarHBondContact O-N 3.38Å
192L50.5Low71.3Confident158 Ų15880.4 Ų80.483%0.82740%0.401SS*.THydrogen-bonded Turntrans58.210.7-177.4-72.7152.8000115I188 S189I188-L192 PolarHBondContact O-N 2.94Å; S189-L192 PolarHBondContact O-N 3.13Å
193L49.3Very low71.5Confident90 Ų9074.8 Ų74.847%0.47138%0.375SS..  trans-98.22.4-163.8-87.8167.4000115.1I188 N191 V195 Y196I188-L193 HydrophobicContact CG2-CB 3.74Å; I188-L193 PolarHBondContact O-N 3.38Å; I188-L193 VanDerWaalsContact O-N 3.15Å; N191-L193 HydrophobicContact CB-CB 4.48Å; N191-L193 HydrophobicContact CB-CD1 4.07Å; N191-L193 HydrophobicContact CB-CG 4.49Å; N191-L193 WeakPolarHBondContact O-CG 3.26Å; N191-L193 PolarHBondContact O-N 3.38Å; L193-V195 PolarHBondContact O-N 3.35Å; L193-V195 VanDerWaalsContact O-N 3.14Å; L193-Y196 HydrophobicContact CD2-CD2 4.33Å; L193-Y196 PolarHBondContact O-N 3.37Å
194V50.5Low71.9Confident40 Ų4072.2 Ų72.224%0.24236%0.362CS..G310 helixtrans-59.7-34.2-174.8-178.60000110.4Y185 I188 Y196Y185-V194 HydrophobicContact CD1-CG1 3.63Å; Y185-V194 HydrophobicContact CD1-CG2 4.38Å; Y185-V194 HydrophobicContact CE1-CG1 3.49Å; Y185-V194 VanDerWaalsContact CE1-CG1 3.49Å; I188-V194 HydrophobicContact CB-CG2 4.14Å; I188-V194 HydrophobicContact CG2-CB 4.23Å; I188-V194 HydrophobicContact CG2-CG2 3.72Å; I188-V194 VanDerWaalsContact CG2-N 3.28Å; V194-Y196 PolarHBondContact O-N 3.38Å
195V51.7Low72.5Confident94 Ų9473.5 Ų73.557%0.5737%0.367SS*.G310 helixtrans-69.9-13.5179.3-170.40000112.6S43 L193S43-V195 WeakPolarHBondContact CB-O 3.35Å; S43-V195 PolarHBondContact OG-O 3.47Å; L193-V195 PolarHBondContact O-N 3.35Å; L193-V195 VanDerWaalsContact O-N 3.14Å
196Y58Low73.4Confident168 Ų16872 Ų7266%0.65936%0.361SS*.G310 helixtrans-120.318.2-172.5-62.5-75.1000114.2L193 V194 K198L193-Y196 HydrophobicContact CD2-CD2 4.33Å; L193-Y196 PolarHBondContact O-N 3.37Å; V194-Y196 PolarHBondContact O-N 3.38Å; Y196-K198 PolarHBondContact O-N 2.99Å; Y196-K198 VanDerWaalsContact O-N 3.16Å
197L73.5Confident74.6Confident19 Ų1966.5 Ų66.510%0.09934%0.336CS..  trans-67.9117.8173.7-66.1168.7000110.1T42 I188T42-L197 VanDerWaalsContact CB-O 3.32Å; T42-L197 WeakPolarHBondContact CB-O 3.48Å; I188-L197 HydrophobicContact CD1-CD1 3.67Å; I188-L197 HydrophobicContact CD1-CD2 3.58Å; I188-L197 HydrophobicContact CD1-CG 4.16Å; I188-L197 HydrophobicContact CG1-CD2 4.26Å; I188-L197 HydrophobicContact CG2-CD1 4.33Å; I188-L197 HydrophobicContact CG2-CD2 4.15Å; I188-L197 HydrophobicContact CG2-CG 4.26Å
198K87.9Confident76.1Confident126 Ų12661.7 Ų61.755%0.54832%0.319SS..  trans-66.8142.7173-63.6-172.6176.3-176.40109.7E44 Y196 I200 V201 C202E44-K198 WeakPolarHBondContact OE2-CA 3.34Å; Y196-K198 PolarHBondContact O-N 2.99Å; Y196-K198 VanDerWaalsContact O-N 3.16Å; K198-I200 VanDerWaalsContact C-N 3.25Å; K198-I200 HydrophobicContact CB-CG2 4.28Å; K198-I200 PolarHBondContact O-N 2.97Å; K198-V201 HydrophobicContact CB-CG2 4.15Å; K198-V201 WeakPolarHBondContact O-CB 3.42Å; K198-V201 PolarHBondContact O-N 3.12Å; K198-C202 PolarHBondContact O-N 3.08Å; K198-C202 VanDerWaalsContact O-N 3.15Å
199L91.6Very high77.9Confident23 Ų2360.7 Ų60.712%0.1231%0.314CS..Hα-helixtrans-51.7-45.4-179.5-165.571.2000111.6T42 E44 V47 V201 C202 C203 T227T42-L199 HydrophobicContact CG2-CD1 4.33Å; E44-L199 HydrophobicContact CB-CB 4.13Å; E44-L199 VanDerWaalsContact OE2-CB 3.29Å; E44-L199 WeakPolarHBondContact OE2-CB 3.39Å; E44-L199 PolarHBondContact OE2-N 3.43Å; V47-L199 HydrophobicContact CG2-CD1 3.52Å; V47-L199 HydrophobicContact CG2-CG 4Å; V47-L199 WeakPolarHBondContact CG2-O 3.4Å; L199-V201 VanDerWaalsContact C-N 3.31Å; L199-V201 PolarHBondContact O-N 3.11Å; L199-C202 WeakPolarHBondContact O-CB 3.28Å; L199-C202 PolarHBondContact O-N 3.25Å; L199-C202 VanDerWaalsContact O-N 3.14Å; L199-C203 PolarHBondContact O-N 3.25Å; L199-C203 PolarHBondContact O-SG 2.96Å; L199-C203 VanDerWaalsContact O-SG 3.33Å; L199-T227 HydrophobicContact CD1-CG2 4.05Å; L199-T227 HydrophobicContact CD2-CG2 3.75Å; L199-T227 HydrophobicContact CG-CG2 3.79Å
200I93.2Very high79.9Confident78 Ų7858 Ų5840%0.430%0.295SS..Hα-helixtrans-64.5-31.8179.4-168.658.8000113.6K198 C203 K204 I245K198-I200 VanDerWaalsContact C-N 3.25Å; K198-I200 HydrophobicContact CB-CG2 4.28Å; K198-I200 PolarHBondContact O-N 2.97Å; I200-C203 HydrophobicContact CD1-CB 4.44Å; I200-C203 WeakPolarHBondContact O-CB 3.17Å; I200-C203 PolarHBondContact O-N 2.71Å; I200-K204 PolarHBondContact O-N 2.9Å; I200-I245 HydrophobicContact CD1-CD1 4Å; I200-I245 HydrophobicContact CD1-CG1 4.22Å
201V92.4Very high81.8Confident56 Ų5657.2 Ų57.234%0.33929%0.286SS..Hα-helixtrans-70.4-40.1175.8176.30000109.4K198 L199 K204 H205K198-V201 HydrophobicContact CB-CG2 4.15Å; K198-V201 WeakPolarHBondContact O-CB 3.42Å; K198-V201 PolarHBondContact O-N 3.12Å; L199-V201 VanDerWaalsContact C-N 3.31Å; L199-V201 PolarHBondContact O-N 3.11Å; V201-K204 WeakPolarHBondContact O-CB 3.42Å; V201-K204 PolarHBondContact O-N 2.85Å; V201-H205 PolarHBondContact O-CD2 3.48Å; V201-H205 VanDerWaalsContact O-CD2 3.25Å; V201-H205 PolarHBondContact O-N 3.18Å
202C94.1Very high83.9Confident2 Ų258.6 Ų58.61%0.01429%0.289CS..Hα-helixtrans-66.6-33.8174-69.70000112.9I40 T42 V47 K198 L199 K204 H205 A206I40-C202 HydrophobicContact CB-CB 4.39Å; I40-C202 HydrophobicContact CG2-CB 4.03Å; T42-C202 HydrophobicContact CG2-CB 3.75Å; T42-C202 WeakPolarHBondContact CG2-SG 3.42Å; V47-C202 HydrophobicContact CB-CB 4.41Å; V47-C202 HydrophobicContact CG2-CB 3.67Å; K198-C202 PolarHBondContact O-N 3.08Å; K198-C202 VanDerWaalsContact O-N 3.15Å; L199-C202 WeakPolarHBondContact O-CB 3.28Å; L199-C202 PolarHBondContact O-N 3.25Å; L199-C202 VanDerWaalsContact O-N 3.14Å; C202-K204 VanDerWaalsContact C-N 3.31Å; C202-K204 PolarHBondContact O-N 3.21Å; C202-H205 PolarHBondContact O-N 3.33Å; C202-A206 WeakPolarHBondContact O-CB 3.5Å; C202-A206 PolarHBondContact O-N 3.44Å
203C96.8Very high86.1Confident1 Ų152.9 Ų52.91%0.00726%0.261CS..Hα-helixtrans-57.6-45.2169.1-63.50000111.4V47 L199 I200 H205 A206 L207 M225 I245V47-C203 HydrophobicContact CG1-CB 4.41Å; L199-C203 PolarHBondContact O-N 3.25Å; L199-C203 PolarHBondContact O-SG 2.96Å; L199-C203 VanDerWaalsContact O-SG 3.33Å; I200-C203 HydrophobicContact CD1-CB 4.44Å; I200-C203 WeakPolarHBondContact O-CB 3.17Å; I200-C203 PolarHBondContact O-N 2.71Å; C203-H205 PolarHBondContact O-N 3.32Å; C203-A206 PolarHBondContact O-N 2.93Å; C203-L207 PolarHBondContact O-N 3.03Å; C203-L207 VanDerWaalsContact O-N 3.09Å; C203-M225 HydrophobicContact CB-CE 3.95Å; C203-M225 HydrophobicContact CB-SD 3.74Å; C203-I245 HydrophobicContact CB-CD1 3.96Å
204K95.8Very high88.3Confident58 Ų5849.4 Ų49.425%0.25224%0.242SC..Hα-helixtrans-62-44.6177.1-68176.5-177.2-168.80112.3I200 V201 C202 S208 I245 E248 I249I200-K204 PolarHBondContact O-N 2.9Å; V201-K204 WeakPolarHBondContact O-CB 3.42Å; V201-K204 PolarHBondContact O-N 2.85Å; C202-K204 VanDerWaalsContact C-N 3.31Å; C202-K204 PolarHBondContact O-N 3.21Å; K204-S208 VanDerWaalsContact O-CB 3.3Å; K204-S208 WeakPolarHBondContact O-CB 3.42Å; K204-S208 PolarHBondContact O-N 3.4Å; K204-S208 PolarHBondContact O-OG 3.45Å; K204-I245 HydrophobicContact CB-CG2 4.49Å; K204-I245 HydrophobicContact CG-CG2 3.73Å; K204-E248 WeakPolarHBondContact CE-OE2 3.29Å; K204-E248 IonicContact NZ-OE2 3.54Å; K204-E248 PolarHBondContact NZ-OE2 3.46Å; K204-I249 HydrophobicContact CB-CD1 4.36Å; K204-I249 HydrophobicContact CB-CG1 4.03Å; K204-I249 HydrophobicContact CG-CG1 4.15Å; K204-I249 WeakPolarHBondContact O-CD1 3.09Å
205H95Very high90.3Very high56 Ų5656 Ų5626%0.25927%0.27SS..Hα-helixtrans-62.7-45.7176.8-75.4-53.6000111.8I40 I184 V201 C202 C203 L207 S208 I209I40-H205 HydrophobicContact CD1-CB 4.47Å; I184-H205 HydrophobicContact CD1-CB 4.08Å; V201-H205 PolarHBondContact O-CD2 3.48Å; V201-H205 VanDerWaalsContact O-CD2 3.25Å; V201-H205 PolarHBondContact O-N 3.18Å; C202-H205 PolarHBondContact O-N 3.33Å; C203-H205 PolarHBondContact O-N 3.32Å; H205-L207 PolarHBondContact O-N 3.28Å; H205-S208 PolarHBondContact O-N 2.86Å; H205-S208 VanDerWaalsContact O-N 3.17Å; H205-I209 VanDerWaalsContact O-CG1 3.24Å; H205-I209 WeakPolarHBondContact O-CG1 3.39Å; H205-I209 PolarHBondContact O-N 3.17Å
206A97.6Very high92.2Very high1 Ų156.1 Ų56.11%0.00827%0.265CS..Hα-helixtrans-57.9-48.6179.300000111.8I38 I40 V47 A49 C202 C203 I209 L210 M225I38-A206 HydrophobicContact CG2-CB 4.36Å; I40-A206 HydrophobicContact CD1-CB 4Å; V47-A206 HydrophobicContact CG1-CB 4.26Å; A49-A206 HydrophobicContact CB-CB 3.84Å; C202-A206 WeakPolarHBondContact O-CB 3.5Å; C202-A206 PolarHBondContact O-N 3.44Å; C203-A206 PolarHBondContact O-N 2.93Å; A206-I209 PolarHBondContact O-N 2.67Å; A206-L210 WeakPolarHBondContact O-CG 3.3Å; A206-L210 PolarHBondContact O-N 3.09Å; A206-M225 HydrophobicContact CB-CE 4.38Å
207L98.2Very high94Very high0 Ų056.9 Ų56.90%027%0.272CS..Hα-helixtrans-66.8-36.4175.8-69-177.3000113.1A49 C203 H205 I209 L210 K211 L218 V223 M225 I245 I246 I249A49-L207 HydrophobicContact CB-CD2 4.46Å; C203-L207 PolarHBondContact O-N 3.03Å; C203-L207 VanDerWaalsContact O-N 3.09Å; H205-L207 PolarHBondContact O-N 3.28Å; L207-I209 VanDerWaalsContact C-N 3.31Å; L207-I209 PolarHBondContact O-N 2.78Å; L207-L210 HydrophobicContact CD2-CD1 4.46Å; L207-L210 PolarHBondContact O-N 3.25Å; L207-K211 WeakPolarHBondContact O-CB 3.45Å; L207-K211 PolarHBondContact O-N 2.81Å; L207-L218 HydrophobicContact CB-CD2 3.98Å; L207-L218 HydrophobicContact CD2-CD1 4.38Å; L207-L218 HydrophobicContact CD2-CD2 4.37Å; L207-V223 HydrophobicContact CD2-CB 4.4Å; L207-V223 HydrophobicContact CD2-CG1 4Å; L207-V223 HydrophobicContact CD2-CG2 3.66Å; L207-M225 HydrophobicContact CD1-CE 3.97Å; L207-M225 HydrophobicContact CD1-SD 4.49Å; L207-M225 HydrophobicContact CD2-CE 3.73Å; L207-M225 HydrophobicContact CG-CE 3.47Å; L207-M225 VanDerWaalsContact CG-CE 3.47Å; L207-I245 HydrophobicContact CD1-CB 3.97Å; L207-I245 HydrophobicContact CD1-CG2 3.7Å; L207-I246 HydrophobicContact CD1-CG1 3.93Å; L207-I249 HydrophobicContact CB-CD1 3.53Å; L207-I249 HydrophobicContact CD1-CD1 4.24Å; L207-I249 HydrophobicContact CG-CD1 4.49Å
208S96.7Very high95Very high30 Ų3056.7 Ų56.721%0.2127%0.27CS..Hα-helixtrans-63.6-38.9176.7-600000111.8K204 H205 Q212 I249K204-S208 VanDerWaalsContact O-CB 3.3Å; K204-S208 WeakPolarHBondContact O-CB 3.42Å; K204-S208 PolarHBondContact O-N 3.4Å; K204-S208 PolarHBondContact O-OG 3.45Å; H205-S208 PolarHBondContact O-N 2.86Å; H205-S208 VanDerWaalsContact O-N 3.17Å; S208-Q212 WeakPolarHBondContact O-CG 3.16Å; S208-Q212 PolarHBondContact O-N 3Å; S208-I249 WeakPolarHBondContact OG-CG2 3.21Å
209I97.7Very high95.3Very high2 Ų253.6 Ų53.61%0.0126%0.26CS..Hα-helixtrans-70.5-45.4176.4-62.7166.9000110.1I38 A177 A180 L181 I184 H205 A206 L207 K211 Q212 V213I38-I209 HydrophobicContact CD1-CB 3.71Å; I38-I209 HydrophobicContact CD1-CG2 3.48Å; I38-I209 VanDerWaalsContact CD1-CG2 3.48Å; A177-I209 HydrophobicContact CB-CG2 3.66Å; A180-I209 HydrophobicContact CB-CD1 4.29Å; A180-I209 HydrophobicContact CB-CG1 3.92Å; A180-I209 HydrophobicContact CB-CG2 3.92Å; L181-I209 HydrophobicContact CD2-CD1 3.48Å; L181-I209 VanDerWaalsContact CD2-CD1 3.48Å; L181-I209 HydrophobicContact CG-CD1 3.76Å; I184-I209 HydrophobicContact CD1-CD1 3.55Å; I184-I209 HydrophobicContact CD1-CG1 3.94Å; H205-I209 VanDerWaalsContact O-CG1 3.24Å; H205-I209 WeakPolarHBondContact O-CG1 3.39Å; H205-I209 PolarHBondContact O-N 3.17Å; A206-I209 PolarHBondContact O-N 2.67Å; L207-I209 VanDerWaalsContact C-N 3.31Å; L207-I209 PolarHBondContact O-N 2.78Å; I209-K211 VanDerWaalsContact C-N 3.28Å; I209-K211 PolarHBondContact O-N 2.93Å; I209-Q212 WeakPolarHBondContact O-CB 3.45Å; I209-Q212 PolarHBondContact O-N 3.15Å; I209-V213 PolarHBondContact O-N 3.34Å
210L98.3Very high95.4Very high0 Ų053.1 Ų53.10%026%0.259CS..Hα-helixtrans-55.7-45.2174.6-75.7-176.7000111.3T36 I38 A49 A206 L207 Q212 V213 M214 V223T36-L210 HydrophobicContact CG2-CD2 4.06Å; I38-L210 HydrophobicContact CD1-CD2 3.83Å; I38-L210 HydrophobicContact CD1-CG 3.9Å; I38-L210 HydrophobicContact CG1-CD2 4.12Å; A49-L210 HydrophobicContact CB-CD1 3.62Å; A206-L210 WeakPolarHBondContact O-CG 3.3Å; A206-L210 PolarHBondContact O-N 3.09Å; L207-L210 HydrophobicContact CD2-CD1 4.46Å; L207-L210 PolarHBondContact O-N 3.25Å; L210-Q212 PolarHBondContact O-N 3.15Å; L210-Q212 VanDerWaalsContact O-N 3.11Å; L210-V213 PolarHBondContact O-N 3.01Å; L210-V213 VanDerWaalsContact O-N 3.09Å; L210-M214 HydrophobicContact CB-CG 4.41Å; L210-M214 HydrophobicContact CB-SD 3.82Å; L210-M214 VanDerWaalsContact O-CB 3.26Å; L210-M214 WeakPolarHBondContact O-CB 3.41Å; L210-M214 WeakPolarHBondContact O-CG 3.03Å; L210-M214 PolarHBondContact O-N 3.03Å; L210-V223 HydrophobicContact CD1-CG2 3.57Å
211K96.8Very high95.4Very high91 Ų9151.7 Ų51.740%0.39625%0.253SS..Hα-helixtrans-55.3-29.1174.5-178.2179.9175.4-176.20113.7L207 I209 L218 N250L207-K211 WeakPolarHBondContact O-CB 3.45Å; L207-K211 PolarHBondContact O-N 2.81Å; I209-K211 VanDerWaalsContact C-N 3.28Å; I209-K211 PolarHBondContact O-N 2.93Å; K211-L218 HydrophobicContact CB-CB 4.12Å; K211-L218 HydrophobicContact CB-CD2 4.08Å; K211-L218 HydrophobicContact CG-CB 4.31Å; K211-N250 PolarHBondContact NZ-OD1 3.25Å
212Q96.4Very high95.5Very high138 Ų13849.1 Ų49.165%0.64524%0.238SC*.Hα-helixtrans-81.8-30.1179.4-68.91687.100113.2S208 I209 L210S208-Q212 WeakPolarHBondContact O-CG 3.16Å; S208-Q212 PolarHBondContact O-N 3Å; I209-Q212 WeakPolarHBondContact O-CB 3.45Å; I209-Q212 PolarHBondContact O-N 3.15Å; L210-Q212 PolarHBondContact O-N 3.15Å; L210-Q212 VanDerWaalsContact O-N 3.11Å
213V97.3Very high95.7Very high37 Ų3749.1 Ų49.122%0.22424%0.238CC..Hα-helixtrans-107.7-14.2-172.5-56.20000113.9T36 A177 I209 L210T36-V213 HydrophobicContact CG2-CG2 3.97Å; A177-V213 HydrophobicContact CB-CG1 4.25Å; A177-V213 HydrophobicContact CB-CG2 4.38Å; I209-V213 PolarHBondContact O-N 3.34Å; L210-V213 PolarHBondContact O-N 3.01Å; L210-V213 VanDerWaalsContact O-N 3.09Å
214M95.3Very high95.7Very high17 Ų1750 Ų508%0.08424%0.242CC..  trans-73.2141.8174.1-74.5171.460.300111.1E51 L210 L218 N222E51-M214 HydrophobicContact CB-CG 4.2Å; E51-M214 HydrophobicContact CB-SD 4.26Å; E51-M214 HydrophobicContact CG-CE 4.1Å; E51-M214 HydrophobicContact CG-CG 3.94Å; E51-M214 HydrophobicContact CG-SD 4.23Å; L210-M214 HydrophobicContact CB-CG 4.41Å; L210-M214 HydrophobicContact CB-SD 3.82Å; L210-M214 VanDerWaalsContact O-CB 3.26Å; L210-M214 WeakPolarHBondContact O-CB 3.41Å; L210-M214 WeakPolarHBondContact O-CG 3.03Å; L210-M214 PolarHBondContact O-N 3.03Å; M214-L218 HydrophobicContact CE-CD1 4.06Å; M214-L218 HydrophobicContact SD-CD1 3.7Å; M214-N222 HydrophobicContact CE-CB 4.37Å
215E92.4Very high95.9Very high178 Ų17847.3 Ų47.383%0.83223%0.23SC*.SBendtrans-72.4-38.3174.4-63.2179.5-18000111.7
216E92.2Very high96Very high97 Ų9744.6 Ų44.645%0.45322%0.218SC..SBendtrans-89.4153.1176.9-64.7-174.217300111.7L218E216-L218 PolarHBondContact O-N 3.08Å
217K94.2Very high96.1Very high185 Ų18544.9 Ų44.980%0.80422%0.219SC*.PPolyproline II helixtrans-62.4124.5173.5-176.7-178.2177.5-175.80109.5D219 N222K217-D219 PolarHBondContact O-N 3Å; K217-N222 PolarHBondContact O-ND2 2.97Å
218L95.3Very high96.1Very high14 Ų1445 Ų457%0.07322%0.22CC..PPolyproline II helixtrans-55.7128.5175.2-177.376.6000111.9L207 K211 M214 E216 V223 I246L207-L218 HydrophobicContact CB-CD2 3.98Å; L207-L218 HydrophobicContact CD2-CD1 4.38Å; L207-L218 HydrophobicContact CD2-CD2 4.37Å; K211-L218 HydrophobicContact CB-CB 4.12Å; K211-L218 HydrophobicContact CB-CD2 4.08Å; K211-L218 HydrophobicContact CG-CB 4.31Å; M214-L218 HydrophobicContact CE-CD1 4.06Å; M214-L218 HydrophobicContact SD-CD1 3.7Å; E216-L218 PolarHBondContact O-N 3.08Å; L218-V223 HydrophobicContact CD1-CB 3.85Å; L218-V223 HydrophobicContact CD1-CG1 4.06Å; L218-V223 HydrophobicContact CD1-CG2 4.23Å; L218-I246 HydrophobicContact CD2-CD1 4.18Å; L218-I246 HydrophobicContact CD2-CG1 3.98Å; L218-I246 HydrophobicContact CG-CD1 4.06Å; L218-I246 HydrophobicContact CG-CG1 4.41Å
219D94.7Very high96.2Very high62 Ų6243.9 Ų43.933%0.33221%0.212SC..  trans-143.5176.2168.867.349.1000111.1K217 T221 N222 V223 I246K217-D219 PolarHBondContact O-N 3Å; D219-T221 PolarHBondContact O-N 2.86Å; D219-T221 VanDerWaalsContact OD1-CA 3.3Å; D219-T221 WeakPolarHBondContact OD1-CA 3.38Å; D219-T221 WeakPolarHBondContact OD1-CB 3.44Å; D219-T221 PolarHBondContact OD1-N 3.34Å; D219-T221 PolarHBondContact OD1-OG1 2.88Å; D219-N222 PolarHBondContact N-OD1 3.05Å; D219-N222 PolarHBondContact O-OD1 3.17Å; D219-N222 PolarHBondContact OD1-N 3.48Å; D219-V223 WeakPolarHBondContact O-CG1 3.44Å; D219-I246 VanDerWaalsContact C-CD1 3.44Å
220S94.1Very high96.1Very high13 Ų1348.6 Ų48.69%0.09124%0.236CC..SBendtrans-72.4-1.9-177.251.50000114.8K239 Q243S220-K239 WeakPolarHBondContact CB-O 3.37Å; S220-K239 VanDerWaalsContact OG-CE 3.26Å; S220-K239 WeakPolarHBondContact OG-CE 3.03Å; S220-K239 WeakPolarHBondContact OG-CG 3.49Å; S220-Q243 PolarHBondContact OG-OE1 3.47Å
221T92.8Very high96Very high47 Ų4756.5 Ų56.529%0.28827%0.271SS..SBendtrans-105-26.5179.270.90000113.5K52 D219 K239K52-T221 VanDerWaalsContact CE-O 3.28Å; K52-T221 WeakPolarHBondContact CE-O 3.27Å; D219-T221 PolarHBondContact O-N 2.86Å; D219-T221 VanDerWaalsContact OD1-CA 3.3Å; D219-T221 WeakPolarHBondContact OD1-CA 3.38Å; D219-T221 WeakPolarHBondContact OD1-CB 3.44Å; D219-T221 PolarHBondContact OD1-N 3.34Å; D219-T221 PolarHBondContact OD1-OG1 2.88Å; T221-K239 HydrophobicContact CG2-CD 4.39Å
222N94.8Very high95.9Very high2 Ų256.9 Ų56.91%0.01128%0.277CS..SBendtrans-101.315.7-179.569.18000114.3K52 M214 K217 D219K52-N222 PolarHBondContact N-O 3.02Å; M214-N222 HydrophobicContact CE-CB 4.37Å; K217-N222 PolarHBondContact O-ND2 2.97Å; D219-N222 PolarHBondContact N-OD1 3.05Å; D219-N222 PolarHBondContact O-OD1 3.17Å; D219-N222 PolarHBondContact OD1-N 3.48Å
223V97Very high95.9Very high3 Ų352.9 Ų52.92%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-136.8149.4171.974.20000111V50 K52 L207 L210 L218 D219 V242V50-V223 CarbonylContact O-C 3.57Å; V50-V223 WeakPolarHBondContact O-CA 3.37Å; V50-V223 WeakPolarHBondContact O-CG2 3.08Å; K52-V223 VanDerWaalsContact CE-O 3.32Å; K52-V223 WeakPolarHBondContact CE-O 3.08Å; L207-V223 HydrophobicContact CD2-CB 4.4Å; L207-V223 HydrophobicContact CD2-CG1 4Å; L207-V223 HydrophobicContact CD2-CG2 3.66Å; L210-V223 HydrophobicContact CD1-CG2 3.57Å; L218-V223 HydrophobicContact CD1-CB 3.85Å; L218-V223 HydrophobicContact CD1-CG1 4.06Å; L218-V223 HydrophobicContact CD1-CG2 4.23Å; D219-V223 WeakPolarHBondContact O-CG1 3.44Å; V223-V242 HydrophobicContact CG1-CG1 3.46Å; V223-V242 VanDerWaalsContact CG1-CG1 3.46Å
224E97.9Very high95.9Very high20 Ų2053 Ų539%0.09326%0.257CS..EExtended strand (participates in β ladder)trans-120.2135.2168.9-169.1158.783.800108.9A49 V50 K52 K66 I67 L236A49-E224 CarbonylContact C-O 3.53Å; A49-E224 VanDerWaalsContact CA-O 3.31Å; A49-E224 WeakPolarHBondContact CA-O 3.45Å; V50-E224 PolarHBondContact N-O 3.02Å; V50-E224 PolarHBondContact O-N 3.1Å; K52-E224 HydrophobicContact CD-CB 4.09Å; K52-E224 HydrophobicContact CG-CB 4.3Å; K52-E224 IonicContact NZ-OE2 3.77Å; K66-E224 WeakPolarHBondContact CA-OE1 3.22Å; K66-E224 PolarHBondContact N-OE1 2.96Å; I67-E224 HydrophobicContact CB-CG 4.45Å; I67-E224 HydrophobicContact CD1-CB 4.37Å; I67-E224 HydrophobicContact CD1-CG 4.07Å; I67-E224 HydrophobicContact CG1-CG 4.16Å; I67-E224 PolarHBondContact N-OE1 3.24Å; E224-L236 HydrophobicContact CG-CD1 3.79Å
225M98.6Very high96.1Very high0 Ų055.3 Ų55.30%027%0.267CS..EExtended strand (participates in β ladder)trans-133.6136.7-177.6173.5168.3-8000109.8V47 M48 A49 C203 A206 L207 F237 V242 I245V47-M225 HydrophobicContact CG1-CE 4.41Å; M48-M225 WeakPolarHBondContact O-CA 3.49Å; A49-M225 HydrophobicContact CB-CE 3.83Å; C203-M225 HydrophobicContact CB-CE 3.95Å; C203-M225 HydrophobicContact CB-SD 3.74Å; A206-M225 HydrophobicContact CB-CE 4.38Å; L207-M225 HydrophobicContact CD1-CE 3.97Å; L207-M225 HydrophobicContact CD1-SD 4.49Å; L207-M225 HydrophobicContact CD2-CE 3.73Å; L207-M225 HydrophobicContact CG-CE 3.47Å; L207-M225 VanDerWaalsContact CG-CE 3.47Å; M225-F237 HydrophobicContact CB-CB 4.27Å; M225-F237 HydrophobicContact CB-CD2 4.49Å; M225-F237 HydrophobicContact CB-CG 4.3Å; M225-F237 HydrophobicContact CG-CB 4.48Å; M225-F237 HydrophobicContact CG-CD1 4.34Å; M225-F237 HydrophobicContact CG-CD2 3.9Å; M225-F237 HydrophobicContact CG-CE2 4.23Å; M225-F237 HydrophobicContact CG-CG 3.97Å; M225-F237 WeakPolarHBondContact O-CB 3.29Å; M225-F237 WeakPolarHBondContact O-CD2 3.41Å; M225-F237 PolarHBondContact O-N 2.9Å; M225-F237 HydrophobicContact SD-CD1 4.19Å; M225-F237 HydrophobicContact SD-CE1 4.27Å; M225-F237 HydrophobicContact SD-CG 4.43Å; M225-V242 HydrophobicContact CB-CG2 4.22Å; M225-I245 HydrophobicContact SD-CD1 3.91Å
226A98.7Very high96.4Very high0 Ų050.3 Ų50.30%025%0.246CC..EExtended strand (participates in β ladder)trans-139.3160.6172.900000110.6M48 I67 Y234 H235 L236M48-A226 PolarHBondContact N-O 2.88Å; M48-A226 PolarHBondContact O-N 3.5Å; I67-A226 HydrophobicContact CD1-CB 3.98Å; I67-A226 HydrophobicContact CG2-CB 3.8Å; A226-Y234 HydrophobicContact CB-CD2 4.4Å; A226-Y234 HydrophobicContact CB-CE2 3.73Å; A226-H235 CarbonylContact C-O 3.59Å; A226-H235 WeakPolarHBondContact CA-O 3.12Å; A226-H235 WeakPolarHBondContact CB-O 3.29Å; A226-L236 HydrophobicContact CB-CD1 4.1Å
227T98.7Very high96.7Very high7 Ų747.2 Ų47.24%0.04323%0.231CC..EExtended strand (participates in β ladder)trans-127.3152.5166.1550000110.1V46 V47 L199 Y234 H235 F237V46-T227 CarbonylContact O-C 3.56Å; V46-T227 VanDerWaalsContact O-CA 3.27Å; V46-T227 WeakPolarHBondContact O-CA 3.48Å; V47-T227 HydrophobicContact CG2-CG2 4.11Å; L199-T227 HydrophobicContact CD1-CG2 4.05Å; L199-T227 HydrophobicContact CD2-CG2 3.75Å; L199-T227 HydrophobicContact CG-CG2 3.79Å; T227-Y234 CarbonylContact O-C 3.44Å; T227-Y234 WeakPolarHBondContact O-CA 3.46Å; T227-H235 PolarHBondContact N-O 2.66Å; T227-H235 PolarHBondContact O-N 2.89Å; T227-F237 HydrophobicContact CG2-CE2 3.69Å; T227-F237 HydrophobicContact CG2-CZ 4.05Å
228V98.7Very high96.8Very high1 Ų142.3 Ų42.31%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-121.4109.3161-170.40000107.1G45 V46 H73 A75 V146 N233 Y234G45-V228 CarbonylContact C-O 3.58Å; G45-V228 WeakPolarHBondContact CA-O 3.32Å; V46-V228 PolarHBondContact N-O 2.88Å; V46-V228 PolarHBondContact O-N 3.32Å; H73-V228 WeakPolarHBondContact O-CG1 3.44Å; A75-V228 HydrophobicContact CB-CG2 3.61Å; V146-V228 HydrophobicContact CG2-CG1 4.34Å; V228-N233 WeakPolarHBondContact CA-O 3.44Å; V228-Y234 HydrophobicContact CG2-CD2 4.12Å
229S97.8Very high96.7Very high7 Ų747.2 Ų47.25%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-112.2155.8-173.973.40000112.3E44 K231 D232 N233E44-S229 WeakPolarHBondContact O-CA 3.44Å; S229-K231 PolarHBondContact O-N 3Å; S229-D232 PolarHBondContact OG-N 2.79Å; S229-N233 PolarHBondContact N-O 2.83Å; S229-N233 WeakPolarHBondContact O-CA 3.41Å; S229-N233 PolarHBondContact O-N 3.07Å
230I96.7Very high96.9Very high101 Ų10150.2 Ų50.252%0.51825%0.25SS..THydrogen-bonded Turntrans-58.1-35.4174.8-62.9167.3000110.6S43 E44 V146 P151S43-I230 WeakPolarHBondContact O-CD1 3.14Å; E44-I230 PolarHBondContact O-N 3.03Å; V146-I230 HydrophobicContact CG1-CB 4.43Å; V146-I230 HydrophobicContact CG1-CG1 3.73Å; V146-I230 HydrophobicContact CG2-CG1 4.23Å; P151-I230 HydrophobicContact CG-CD1 4.21Å; P151-I230 HydrophobicContact CG-CG1 4.31Å
231K95.2Very high97Very high167 Ų16752.6 Ų52.673%0.72626%0.26SS*.THydrogen-bonded Turntrans-83.2-51.8-173.3-173.4-169.2165-1540112.7S229S229-K231 PolarHBondContact O-N 3Å
232D94.3Very high97.3Very high98 Ų9850.6 Ų50.652%0.52425%0.247SC..THydrogen-bonded Turntrans-111.24.5-164.8-58.1-52000112.7S229S229-D232 PolarHBondContact OG-N 2.79Å
233N97.1Very high97.4Very high54 Ų5453.4 Ų53.429%0.28926%0.261SS..EExtended strand (participates in β ladder)trans57.7-150.8-174.5-71.4-60000110.6K72 K106 V228 S229K72-N233 VanDerWaalsContact O-CB 3.25Å; K72-N233 WeakPolarHBondContact O-CB 3.31Å; K106-N233 PolarHBondContact NZ-OD1 2.9Å; V228-N233 WeakPolarHBondContact CA-O 3.44Å; S229-N233 PolarHBondContact N-O 2.83Å; S229-N233 WeakPolarHBondContact O-CA 3.41Å; S229-N233 PolarHBondContact O-N 3.07Å
234Y98.6Very high97.5Very high39 Ų3959.3 Ų59.315%0.15329%0.286CS..EExtended strand (participates in β ladder)trans-65.1130.4175.7173.7-109000112.1I67 E69 K72 A75 A226 T227 V228 L236I67-Y234 HydrophobicContact CG2-CE2 4.3Å; E69-Y234 HydrophobicContact CB-CD1 3.76Å; E69-Y234 HydrophobicContact CB-CE1 3.59Å; E69-Y234 HydrophobicContact CB-CG 4.38Å; E69-Y234 HydrophobicContact CG-CD1 3.59Å; E69-Y234 HydrophobicContact CG-CE1 3.98Å; E69-Y234 HydrophobicContact CG-CG 4.04Å; K72-Y234 VanDerWaalsContact O-CB 3.3Å; K72-Y234 WeakPolarHBondContact O-CB 3.44Å; K72-Y234 PolarHBondContact O-N 3.03Å; A75-Y234 HydrophobicContact CB-CD2 3.59Å; A75-Y234 HydrophobicContact CB-CE2 3.67Å; A226-Y234 HydrophobicContact CB-CD2 4.4Å; A226-Y234 HydrophobicContact CB-CE2 3.73Å; T227-Y234 CarbonylContact O-C 3.44Å; T227-Y234 WeakPolarHBondContact O-CA 3.46Å; V228-Y234 HydrophobicContact CG2-CD2 4.12Å; Y234-L236 HydrophobicContact CE1-CB 4.13Å
235H98.6Very high97.5Very high67 Ų6758.6 Ų58.631%0.3128%0.283SS..EExtended strand (participates in β ladder)trans-135.7117.1172.9-179.958.5000110.1A226 T227 F237 E241A226-H235 CarbonylContact C-O 3.59Å; A226-H235 WeakPolarHBondContact CA-O 3.12Å; A226-H235 WeakPolarHBondContact CB-O 3.29Å; T227-H235 PolarHBondContact N-O 2.66Å; T227-H235 PolarHBondContact O-N 2.89Å; H235-F237 AromaticContact CD2-CD2 3.69Å; H235-F237 AromaticContact CD2-CE2 3.58Å; H235-E241 IonicContact CE1-OE1 2.71Å; H235-E241 IonicContact CE1-OE2 3.71Å; H235-E241 IonicContact NE2-OE1 3.24Å; H235-E241 PolarHBondContact NE2-OE1 3.16Å; H235-E241 IonicContact NE2-OE2 2.63Å; H235-E241 PolarHBondContact NE2-OE2 2.88Å
236L98.3Very high97.4Very high72 Ų7259 Ų5938%0.37729%0.285SS..EExtended strand (participates in β ladder)trans-90.3123.9170.9-174.866.4000109.2E224 A226 Y234 N238E224-L236 HydrophobicContact CG-CD1 3.79Å; A226-L236 HydrophobicContact CB-CD1 4.1Å; Y234-L236 HydrophobicContact CE1-CB 4.13Å; L236-N238 PolarHBondContact O-N 3.02Å
237F98.1Very high97.3Very high32 Ų3263.5 Ų63.514%0.1431%0.306CS..PPolyproline II helixtrans-73.1133-176.7-74.7-124.6000109.5M225 T227 H235 E241 V242 I245M225-F237 HydrophobicContact CB-CB 4.27Å; M225-F237 HydrophobicContact CB-CD2 4.49Å; M225-F237 HydrophobicContact CB-CG 4.3Å; M225-F237 HydrophobicContact CG-CB 4.48Å; M225-F237 HydrophobicContact CG-CD1 4.34Å; M225-F237 HydrophobicContact CG-CD2 3.9Å; M225-F237 HydrophobicContact CG-CE2 4.23Å; M225-F237 HydrophobicContact CG-CG 3.97Å; M225-F237 WeakPolarHBondContact O-CB 3.29Å; M225-F237 WeakPolarHBondContact O-CD2 3.41Å; M225-F237 PolarHBondContact O-N 2.9Å; M225-F237 HydrophobicContact SD-CD1 4.19Å; M225-F237 HydrophobicContact SD-CE1 4.27Å; M225-F237 HydrophobicContact SD-CG 4.43Å; T227-F237 HydrophobicContact CG2-CE2 3.69Å; T227-F237 HydrophobicContact CG2-CZ 4.05Å; H235-F237 AromaticContact CD2-CD2 3.69Å; H235-F237 AromaticContact CD2-CE2 3.58Å; F237-E241 WeakPolarHBondContact CA-OE2 3.4Å; F237-E241 HydrophobicContact CB-CB 4.18Å; F237-E241 HydrophobicContact CD1-CB 3.68Å; F237-E241 HydrophobicContact CE1-CB 4.49Å; F237-E241 HydrophobicContact CG-CB 4.32Å; F237-V242 HydrophobicContact CB-CG2 3.71Å; F237-I245 HydrophobicContact CD1-CD1 4.06Å; F237-I245 HydrophobicContact CE1-CD1 3.7Å
238N96.3Very high97.1Very high83 Ų8365.8 Ų65.844%0.44432%0.316SS..PPolyproline II helixtrans-76.4170.8168.37155.4000111.1L236 D240 E241 V242L236-N238 PolarHBondContact O-N 3.02Å; N238-D240 VanDerWaalsContact C-N 3.28Å; N238-D240 PolarHBondContact O-N 2.82Å; N238-D240 WeakPolarHBondContact OD1-CB 3.4Å; N238-D240 PolarHBondContact OD1-N 3.14Å; N238-E241 VanDerWaalsContact CG-OE2 3.31Å; N238-E241 PolarHBondContact N-OE2 3.37Å; N238-E241 PolarHBondContact ND2-OE2 3.34Å; N238-E241 PolarHBondContact O-N 2.83Å; N238-E241 PolarHBondContact OD1-N 3.11Å; N238-V242 WeakPolarHBondContact O-CG2 3.41Å; N238-V242 PolarHBondContact O-N 3.21Å; N238-V242 VanDerWaalsContact O-N 3.1Å
239K94.4Very high96.8Very high117 Ų11766.3 Ų66.351%0.50932%0.319SS..Hα-helixtrans-55.5-40.8-177.1-171.4-179177.1178.60113.1S220 T221 V242 Q243S220-K239 WeakPolarHBondContact CB-O 3.37Å; S220-K239 VanDerWaalsContact OG-CE 3.26Å; S220-K239 WeakPolarHBondContact OG-CE 3.03Å; S220-K239 WeakPolarHBondContact OG-CG 3.49Å; T221-K239 HydrophobicContact CG2-CD 4.39Å; K239-V242 PolarHBondContact O-N 3.48Å; K239-Q243 VanDerWaalsContact O-CB 3.27Å; K239-Q243 WeakPolarHBondContact O-CB 3.32Å; K239-Q243 PolarHBondContact O-N 3.11Å
240D97.4Very high96.4Very high125 Ų12568.9 Ų68.967%0.66833%0.332SS*.Hα-helixtrans-72.1-37.9-176.4-61.3-28.1000111.4N238 Q243 K244N238-D240 VanDerWaalsContact C-N 3.28Å; N238-D240 PolarHBondContact O-N 2.82Å; N238-D240 WeakPolarHBondContact OD1-CB 3.4Å; N238-D240 PolarHBondContact OD1-N 3.14Å; D240-Q243 PolarHBondContact O-N 3.12Å; D240-K244 PolarHBondContact O-N 2.63Å
241E98Very high95.9Very high63 Ų6370.6 Ų70.629%0.29434%0.338SS..Hα-helixtrans-63.1-44.9174.5-66.4176106.900111.4H235 F237 N238 K244 I245H235-E241 IonicContact CE1-OE1 2.71Å; H235-E241 IonicContact CE1-OE2 3.71Å; H235-E241 IonicContact NE2-OE1 3.24Å; H235-E241 PolarHBondContact NE2-OE1 3.16Å; H235-E241 IonicContact NE2-OE2 2.63Å; H235-E241 PolarHBondContact NE2-OE2 2.88Å; F237-E241 WeakPolarHBondContact CA-OE2 3.4Å; F237-E241 HydrophobicContact CB-CB 4.18Å; F237-E241 HydrophobicContact CD1-CB 3.68Å; F237-E241 HydrophobicContact CE1-CB 4.49Å; F237-E241 HydrophobicContact CG-CB 4.32Å; N238-E241 VanDerWaalsContact CG-OE2 3.31Å; N238-E241 PolarHBondContact N-OE2 3.37Å; N238-E241 PolarHBondContact ND2-OE2 3.34Å; N238-E241 PolarHBondContact O-N 2.83Å; N238-E241 PolarHBondContact OD1-N 3.11Å; E241-K244 PolarHBondContact O-N 2.96Å; E241-I245 WeakPolarHBondContact O-CG1 3.4Å; E241-I245 PolarHBondContact O-N 3.16Å
242V98Very high94.7Very high4 Ų467.3 Ų67.32%0.02434%0.336CS..Hα-helixtrans-62.2-46.8175.1175.50000110.7V223 M225 F237 N238 K239 K244 I245 I246V223-V242 HydrophobicContact CG1-CG1 3.46Å; V223-V242 VanDerWaalsContact CG1-CG1 3.46Å; M225-V242 HydrophobicContact CB-CG2 4.22Å; F237-V242 HydrophobicContact CB-CG2 3.71Å; N238-V242 WeakPolarHBondContact O-CG2 3.41Å; N238-V242 PolarHBondContact O-N 3.21Å; N238-V242 VanDerWaalsContact O-N 3.1Å; K239-V242 PolarHBondContact O-N 3.48Å; V242-K244 VanDerWaalsContact C-N 3.3Å; V242-K244 PolarHBondContact O-N 2.78Å; V242-I245 PolarHBondContact O-N 2.9Å; V242-I245 VanDerWaalsContact O-N 3.13Å; V242-I246 HydrophobicContact CG1-CD1 3.84Å; V242-I246 HydrophobicContact CG1-CG1 4.38Å; V242-I246 WeakPolarHBondContact O-CG1 3.43Å; V242-I246 PolarHBondContact O-N 3.14Å
243Q97.7Very high93Very high62 Ų6266.9 Ų66.929%0.2934%0.341SS..Hα-helixtrans-56.6-44.3-179.6-178.660.737.600111.8S220 K239 D240 I245 I246 E247S220-Q243 PolarHBondContact OG-OE1 3.47Å; K239-Q243 VanDerWaalsContact O-CB 3.27Å; K239-Q243 WeakPolarHBondContact O-CB 3.32Å; K239-Q243 PolarHBondContact O-N 3.11Å; D240-Q243 PolarHBondContact O-N 3.12Å; Q243-I245 VanDerWaalsContact C-N 3.32Å; Q243-I245 PolarHBondContact O-N 3.14Å; Q243-I246 WeakPolarHBondContact O-CB 3.43Å; Q243-I246 PolarHBondContact O-N 3.42Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.41Å; Q243-E247 PolarHBondContact NE2-OE1 3.05Å; Q243-E247 WeakPolarHBondContact O-CG 3.4Å; Q243-E247 PolarHBondContact O-N 3.48Å
244K97.7Very high90.7Very high126 Ų12671.9 Ų71.955%0.54838%0.38SS..Hα-helixtrans-58.2-43.2177.3-176-179.8177.4-177.40112.3D240 E241 V242 E247 E248D240-K244 PolarHBondContact O-N 2.63Å; E241-K244 PolarHBondContact O-N 2.96Å; V242-K244 VanDerWaalsContact C-N 3.3Å; V242-K244 PolarHBondContact O-N 2.78Å; K244-E247 PolarHBondContact O-N 3.24Å; K244-E248 WeakPolarHBondContact CE-OE1 3.4Å; K244-E248 WeakPolarHBondContact O-CG 3.32Å; K244-E248 PolarHBondContact O-N 2.71Å; K244-E248 VanDerWaalsContact O-N 3.11Å
245I97.6Very high90.3Very high6 Ų673.6 Ų73.63%0.03139%0.391CS..Hα-helixtrans-67.3-40.5179-58.4173.3000110.5I200 C203 K204 L207 M225 F237 E241 V242 Q243 E247 E248 I249I200-I245 HydrophobicContact CD1-CD1 4Å; I200-I245 HydrophobicContact CD1-CG1 4.22Å; C203-I245 HydrophobicContact CB-CD1 3.96Å; K204-I245 HydrophobicContact CB-CG2 4.49Å; K204-I245 HydrophobicContact CG-CG2 3.73Å; L207-I245 HydrophobicContact CD1-CB 3.97Å; L207-I245 HydrophobicContact CD1-CG2 3.7Å; M225-I245 HydrophobicContact SD-CD1 3.91Å; F237-I245 HydrophobicContact CD1-CD1 4.06Å; F237-I245 HydrophobicContact CE1-CD1 3.7Å; E241-I245 WeakPolarHBondContact O-CG1 3.4Å; E241-I245 PolarHBondContact O-N 3.16Å; V242-I245 PolarHBondContact O-N 2.9Å; V242-I245 VanDerWaalsContact O-N 3.13Å; Q243-I245 VanDerWaalsContact C-N 3.32Å; Q243-I245 PolarHBondContact O-N 3.14Å; I245-E247 VanDerWaalsContact C-N 3.31Å; I245-E247 PolarHBondContact O-N 2.86Å; I245-E248 PolarHBondContact O-N 2.92Å; I245-I249 HydrophobicContact CG2-CD1 4.04Å; I245-I249 VanDerWaalsContact O-CG1 3.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.47Å; I245-I249 PolarHBondContact O-N 3.36Å
246I97.6Very high89.9Confident9 Ų973.9 Ų73.95%0.04640%0.396CS..Hα-helixtrans-59.2-43.1176.3-67.6173.6000111L207 L218 D219 V242 Q243 I249 N250L207-I246 HydrophobicContact CD1-CG1 3.93Å; L218-I246 HydrophobicContact CD2-CD1 4.18Å; L218-I246 HydrophobicContact CD2-CG1 3.98Å; L218-I246 HydrophobicContact CG-CD1 4.06Å; L218-I246 HydrophobicContact CG-CG1 4.41Å; D219-I246 VanDerWaalsContact C-CD1 3.44Å; V242-I246 HydrophobicContact CG1-CD1 3.84Å; V242-I246 HydrophobicContact CG1-CG1 4.38Å; V242-I246 WeakPolarHBondContact O-CG1 3.43Å; V242-I246 PolarHBondContact O-N 3.14Å; Q243-I246 WeakPolarHBondContact O-CB 3.43Å; Q243-I246 PolarHBondContact O-N 3.42Å; I246-I249 PolarHBondContact O-N 2.95Å; I246-N250 VanDerWaalsContact O-CG 3.28Å; I246-N250 PolarHBondContact O-N 3.42Å; I246-N250 VanDerWaalsContact O-N 3.08Å; I246-N250 PolarHBondContact O-ND2 2.96Å; I246-N250 VanDerWaalsContact O-ND2 3.1Å
247E96.8Very high89.4Confident94 Ų9474 Ų7444%0.43940%0.397SS..Hα-helixtrans-62.5-45176.9-73169.7-169.200112.1Q243 K244 I245 I249 N250 Q251Q243-E247 WeakPolarHBondContact CG-OE1 3.41Å; Q243-E247 PolarHBondContact NE2-OE1 3.05Å; Q243-E247 WeakPolarHBondContact O-CG 3.4Å; Q243-E247 PolarHBondContact O-N 3.48Å; K244-E247 PolarHBondContact O-N 3.24Å; I245-E247 VanDerWaalsContact C-N 3.31Å; I245-E247 PolarHBondContact O-N 2.86Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 2.83Å; E247-N250 PolarHBondContact O-N 3.37Å; E247-Q251 WeakPolarHBondContact O-CG 3.25Å; E247-Q251 PolarHBondContact O-N 3.09Å
248E93.9Very high88.9Confident54 Ų5476.5 Ų76.525%0.25241%0.412SS..Hα-helixtrans-62.5-37177.7-70.6178.8-162.600112.6K204 K244 I245 S252K204-E248 WeakPolarHBondContact CE-OE2 3.29Å; K204-E248 IonicContact NZ-OE2 3.54Å; K204-E248 PolarHBondContact NZ-OE2 3.46Å; K244-E248 WeakPolarHBondContact CE-OE1 3.4Å; K244-E248 WeakPolarHBondContact O-CG 3.32Å; K244-E248 PolarHBondContact O-N 2.71Å; K244-E248 VanDerWaalsContact O-N 3.11Å; I245-E248 PolarHBondContact O-N 2.92Å; E248-S252 PolarHBondContact O-N 2.98Å; E248-S252 PolarHBondContact O-OG 3.36Å
249I92.2Very high88.5Confident12 Ų1276.1 Ų76.16%0.06241%0.41CS..Hα-helixtrans-65.7-42.6175-66.9162.8000110.8K204 L207 S208 I245 I246 E247 S252 S253K204-I249 HydrophobicContact CB-CD1 4.36Å; K204-I249 HydrophobicContact CB-CG1 4.03Å; K204-I249 HydrophobicContact CG-CG1 4.15Å; K204-I249 WeakPolarHBondContact O-CD1 3.09Å; L207-I249 HydrophobicContact CB-CD1 3.53Å; L207-I249 HydrophobicContact CD1-CD1 4.24Å; L207-I249 HydrophobicContact CG-CD1 4.49Å; S208-I249 WeakPolarHBondContact OG-CG2 3.21Å; I245-I249 HydrophobicContact CG2-CD1 4.04Å; I245-I249 VanDerWaalsContact O-CG1 3.29Å; I245-I249 WeakPolarHBondContact O-CG1 3.47Å; I245-I249 PolarHBondContact O-N 3.36Å; I246-I249 PolarHBondContact O-N 2.95Å; E247-I249 VanDerWaalsContact C-N 3.32Å; E247-I249 PolarHBondContact O-N 2.83Å; I249-S252 PolarHBondContact O-N 3.02Å; I249-S253 PolarHBondContact O-N 3.06Å; I249-S253 PolarHBondContact O-OG 2.93Å
250N90.5Very high88.1Confident62 Ų6273.3 Ų73.333%0.33240%0.403SS..Hα-helixtrans-69.4-35-178.6-69.8-33.9000112.2K211 I246 E247 S253 S254K211-N250 PolarHBondContact NZ-OD1 3.25Å; I246-N250 VanDerWaalsContact O-CG 3.28Å; I246-N250 PolarHBondContact O-N 3.42Å; I246-N250 VanDerWaalsContact O-N 3.08Å; I246-N250 PolarHBondContact O-ND2 2.96Å; I246-N250 VanDerWaalsContact O-ND2 3.1Å; E247-N250 PolarHBondContact O-N 3.37Å; N250-S253 PolarHBondContact O-N 3.26Å; N250-S254 PolarHBondContact O-OG 3.29Å
251Q84.7Confident87.4Confident137 Ų13769.6 Ų69.664%0.6438%0.384SS*.Hα-helixtrans-68-38.6174.4-71.4174.210.100112.6E247 S253 S254E247-Q251 WeakPolarHBondContact O-CG 3.25Å; E247-Q251 PolarHBondContact O-N 3.09Å; Q251-S253 PolarHBondContact O-N 2.91Å; Q251-S254 PolarHBondContact O-N 2.86Å
252S71.2Confident86.6Confident97 Ų9770.2 Ų70.268%0.67839%0.391SS*.Hα-helixtrans-70.1-13.7179.1-53.90000113.5E248 I249E248-S252 PolarHBondContact O-N 2.98Å; E248-S252 PolarHBondContact O-OG 3.36Å; I249-S252 PolarHBondContact O-N 3.02Å
253S58.4Low85.6Confident90 Ų9075.7 Ų75.763%0.62942%0.422SS*.THydrogen-bonded Turntrans-97.5-7.1179.6-52.90000113.4I249 N250 Q251I249-S253 PolarHBondContact O-N 3.06Å; I249-S253 PolarHBondContact O-OG 2.93Å; N250-S253 PolarHBondContact O-N 3.26Å; Q251-S253 PolarHBondContact O-N 2.91Å
254S49.2Very low84.5Confident159 Ų15976.9 Ų76.9100%1.11243%0.434SS*.  trans-99.70179.9-55.10000110.7N250 Q251N250-S254 PolarHBondContact O-OG 3.29Å; Q251-S254 PolarHBondContact O-N 2.86Å

Retrieved 254 of 254 residues in 374.7 ms (Link to these results)

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