A0A077Z5S6_TRITR Loading...

Ribos L4 asso C and Ribosomal L4 domain containin g protein

AlphaFold DB , UniProt , Accession A0A077Z5S6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 388 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
1M54.2Low83Confident134 Ų13462.7 Ų62.766%0.6635%0.349SS*.  0137.30-79.3-155.3152.100108.3M22 F26 T27M1-M22 HydrophobicContact SD-SD 3.78Å; M1-F26 HydrophobicContact CE-CB 3.96Å; M1-F26 WeakPolarHBondContact CE-O 3.38Å; M1-F26 HydrophobicContact SD-CB 4.16Å; M1-T27 HydrophobicContact CB-CG2 4.33Å; M1-T27 HydrophobicContact CG-CG2 3.92Å; M1-T27 HydrophobicContact SD-CG2 3.25Å; M1-T27 WeakPolarHBondContact SD-CG2 3.4Å
2A55.1Low83.4Confident102 Ų10271.7 Ų71.784%0.84338%0.382SS*.  trans-92.9-16.5-167.800000114.8
3R69.6Low83.6Confident135 Ų13567.8 Ų67.851%0.50937%0.369SS..  trans-134.5114.3-173.9-61-177.987.9-161.3-0.4111.7L5 M22 E155R3-L5 VanDerWaalsContact C-N 3.33Å; R3-M22 WeakPolarHBondContact O-CE 3.45Å; R3-E155 IonicContact CZ-OE2 3.78Å; R3-E155 IonicContact NH1-OE2 3.54Å; R3-E155 PolarHBondContact NH1-OE2 3.09Å; R3-E155 IonicContact NH2-OE2 3.52Å
4P85Confident84.1Confident102 Ų10272.4 Ų72.466%0.66239%0.389SS*.SBendtrans-76.4-20.717729.7-33.6000113.1M22P4-M22 PolarHBondContact O-N 3.12Å
5L92.1Very high84.5Confident92 Ų9272.9 Ų72.948%0.48240%0.396SS..EExtended strand (participates in β ladder)trans-117.5146.1179-61.4174.1000109.9R3R3-L5 VanDerWaalsContact C-N 3.33Å
6V92.8Very high85Confident4 Ų470.1 Ų70.12%0.02438%0.382CS..EExtended strand (participates in β ladder)trans-120137176.3-175.80000108.1T19 I20 M22 E155 V159 F263V6-T19 WeakPolarHBondContact O-CA 3.37Å; V6-I20 PolarHBondContact N-O 3.02Å; V6-I20 PolarHBondContact O-N 3.39Å; V6-M22 HydrophobicContact CG2-CB 4.26Å; V6-M22 HydrophobicContact CG2-CE 3.31Å; V6-M22 HydrophobicContact CG2-CG 4.48Å; V6-E155 WeakPolarHBondContact CG1-OE1 3.44Å; V6-V159 HydrophobicContact CG1-CB 4.26Å; V6-V159 HydrophobicContact CG1-CG2 3.68Å; V6-F263 HydrophobicContact CB-CE1 4.24Å; V6-F263 HydrophobicContact CB-CZ 4.49Å; V6-F263 HydrophobicContact CG2-CE1 4.05Å; V6-F263 HydrophobicContact CG2-CZ 3.99Å
7S94.1Very high85.2Confident22 Ų2273.4 Ų73.415%0.15441%0.411CS..EExtended strand (participates in β ladder)trans-83.1140.7178.4-70.10000109.7E155S7-E155 WeakPolarHBondContact CA-OE1 3.47Å; S7-E155 WeakPolarHBondContact CB-OE1 3.32Å; S7-E155 PolarHBondContact N-OE1 3.04Å; S7-E155 VanDerWaalsContact O-OE1 3.09Å
8V94.9Very high85.5Confident0 Ų070.8 Ų70.80%040%0.399CS..EExtended strand (participates in β ladder)trans-90.8138.4171.6-176.90000108.4T16 S18 I20 V159 N161 E260V8-T16 WeakPolarHBondContact O-CB 3.43Å; V8-T16 PolarHBondContact O-N 3.46Å; V8-T16 PolarHBondContact O-OG1 3.03Å; V8-S18 WeakPolarHBondContact CB-OG 3.43Å; V8-S18 WeakPolarHBondContact CG2-O 3.4Å; V8-S18 PolarHBondContact N-O 2.9Å; V8-I20 HydrophobicContact CG2-CD1 3.49Å; V8-I20 VanDerWaalsContact CG2-CD1 3.49Å; V8-I20 HydrophobicContact CG2-CG1 3.77Å; V8-V159 HydrophobicContact CG2-CG1 4.25Å; V8-N161 HydrophobicContact CG1-CB 4.35Å; V8-E260 HydrophobicContact CG1-CB 4.44Å
9Y94.7Very high85.8Confident14 Ų1471.2 Ų71.26%0.05540%0.403CS..EExtended strand (participates in β ladder)trans-102.6145.3175.4-69.2-98.8000110.9M14 V15 P154 E155 M158 V159 V160 N161Y9-M14 CarbonylContact C-O 3.54Å; Y9-M14 WeakPolarHBondContact CA-O 3.4Å; Y9-V15 HydrophobicContact CD1-CG2 4.15Å; Y9-V15 HydrophobicContact CE1-CG2 3.53Å; Y9-P154 HydrophobicContact CD1-CG 4.29Å; Y9-P154 HydrophobicContact CE1-CB 4.03Å; Y9-P154 HydrophobicContact CE1-CG 3.44Å; Y9-P154 VanDerWaalsContact CE1-CG 3.44Å; Y9-P154 HydrophobicContact CE2-CG 4.35Å; Y9-P154 VanDerWaalsContact CZ-CG 3.5Å; Y9-P154 WeakPolarHBondContact OH-CB 3.13Å; Y9-P154 WeakPolarHBondContact OH-CG 3.31Å; Y9-E155 HydrophobicContact CE2-CG 3.61Å; Y9-E155 WeakPolarHBondContact OH-CG 3.49Å; Y9-M158 HydrophobicContact CD2-SD 3.76Å; Y9-M158 HydrophobicContact CE2-SD 4.22Å; Y9-M158 HydrophobicContact CG-SD 4.19Å; Y9-V159 WeakPolarHBondContact CD2-O 3.38Å; Y9-V159 PolarHBondContact N-O 2.85Å; Y9-V160 CarbonylContact O-C 3.57Å; Y9-V160 WeakPolarHBondContact O-CA 3.46Å; Y9-V160 WeakPolarHBondContact O-CG1 3.37Å; Y9-N161 PolarHBondContact O-N 3.26Å
10D92.3Very high86.2Confident50 Ų5068.2 Ų68.227%0.26739%0.386SS..PPolyproline II helixtrans-85.9170.3169.4-78.4-20.4000111.5K12 G13 M14 T16 N161D10-K12 PolarHBondContact O-N 2.7Å; D10-G13 PolarHBondContact O-N 3.23Å; D10-M14 PolarHBondContact N-O 3.21Å; D10-T16 PolarHBondContact N-OG1 3.27Å; D10-T16 PolarHBondContact OD1-OG1 3.16Å; D10-N161 PolarHBondContact OD1-ND2 3.41Å; D10-N161 VanDerWaalsContact OD1-ND2 3.1Å
11D88.2Confident86.5Confident35 Ų3572.2 Ų72.219%0.18740%0.399CS..THydrogen-bonded Turntrans-55.4-21.5178.5-64.55.2000114.3Y167 N179D11-Y167 VanDerWaalsContact CB-OH 3.3Å; D11-Y167 WeakPolarHBondContact CB-OH 3.36Å; D11-Y167 PolarHBondContact OD2-OH 3.42Å; D11-N179 PolarHBondContact O-ND2 3.08Å
12K88.4Confident88.3Confident170 Ų17067.2 Ų67.274%0.73937%0.374SS*.THydrogen-bonded Turntrans-87.9-1.8177.3-63.8-176.4-178.91790113.6D10 M14D10-K12 PolarHBondContact O-N 2.7Å; K12-M14 VanDerWaalsContact C-N 3.31Å
13G85.8Confident90.2Very high21 Ų2162.4 Ų62.422%0.21634%0.335CS..SBendtrans79.411.6-17700000114.4D10D10-G13 PolarHBondContact O-N 3.23Å
14M90Very high91.3Very high132 Ų13256.6 Ų56.665%0.6532%0.315SS*.PPolyproline II helixtrans-93.1149.8175.8-62.1-61.9-74.300110.6Y9 D10 K12 T16Y9-M14 CarbonylContact C-O 3.54Å; Y9-M14 WeakPolarHBondContact CA-O 3.4Å; D10-M14 PolarHBondContact N-O 3.21Å; K12-M14 VanDerWaalsContact C-N 3.31Å; M14-T16 PolarHBondContact O-N 3.05Å
15V90.8Very high91.7Very high81 Ų8151.7 Ų51.749%0.49128%0.284SS..EExtended strand (participates in β ladder)trans-71.9123.8176.3176.60000109.7Y9Y9-V15 HydrophobicContact CD1-CG2 4.15Å; Y9-V15 HydrophobicContact CE1-CG2 3.53Å
16T91.4Very high91.8Very high28 Ų2847.4 Ų47.417%0.17226%0.261CS..EExtended strand (participates in β ladder)trans-76.4161.6172.6-39.10000110V8 D10 M14 S18V8-T16 WeakPolarHBondContact O-CB 3.43Å; V8-T16 PolarHBondContact O-N 3.46Å; V8-T16 PolarHBondContact O-OG1 3.03Å; D10-T16 PolarHBondContact N-OG1 3.27Å; D10-T16 PolarHBondContact OD1-OG1 3.16Å; M14-T16 PolarHBondContact O-N 3.05Å; T16-S18 PolarHBondContact O-N 3.05Å
17S89Confident91.7Very high125 Ų12549.7 Ų49.787%0.87428%0.275SS*.EExtended strand (participates in β ladder)trans-65.7-17.7173.355.70000113.9
18S90.4Very high91.7Very high28 Ų2848.9 Ų48.920%0.19627%0.269CS..EExtended strand (participates in β ladder)trans-75.6128.8178.452.40000111.6V8 T16V8-S18 WeakPolarHBondContact CB-OG 3.43Å; V8-S18 WeakPolarHBondContact CG2-O 3.4Å; V8-S18 PolarHBondContact N-O 2.9Å; T16-S18 PolarHBondContact O-N 3.05Å
19T92.2Very high91.6Very high77 Ų7750.4 Ų50.447%0.47228%0.279SS..EExtended strand (participates in β ladder)trans-119.4142169.757.10000109.4V6V6-T19 WeakPolarHBondContact O-CA 3.37Å
20I92.8Very high91.5Very high11 Ų1153.5 Ų53.56%0.05630%0.296CS..EExtended strand (participates in β ladder)trans-118.9134.3-178.1-53.8168.6000108.8V6 V8 M22 V159 E260 F263 R264V6-I20 PolarHBondContact N-O 3.02Å; V6-I20 PolarHBondContact O-N 3.39Å; V8-I20 HydrophobicContact CG2-CD1 3.49Å; V8-I20 VanDerWaalsContact CG2-CD1 3.49Å; V8-I20 HydrophobicContact CG2-CG1 3.77Å; I20-M22 PolarHBondContact O-N 3.1Å; I20-V159 HydrophobicContact CD1-CG1 3.97Å; I20-E260 HydrophobicContact CD1-CB 4.1Å; I20-E260 HydrophobicContact CD1-CG 3.64Å; I20-F263 HydrophobicContact CB-CD1 4.27Å; I20-F263 HydrophobicContact CD1-CD1 4.39Å; I20-F263 HydrophobicContact CG2-CD1 3.83Å; I20-F263 HydrophobicContact CG2-CE1 4.29Å; I20-R264 HydrophobicContact CD1-CG 4.18Å; I20-R264 HydrophobicContact CG2-CG 3.87Å
21K92.6Very high91.7Very high153 Ų15355.2 Ų55.267%0.66530%0.299SS*.EExtended strand (participates in β ladder)trans-60.8133.1171.7-178.6-179.6177.2-179.90110.3P23K21-P23 VanDerWaalsContact O-CD 3.28Å; K21-P23 WeakPolarHBondContact O-CD 3.46Å
22M93Very high92Very high29 Ų2957.3 Ų57.314%0.14332%0.316CS..PPolyproline II helixtrans-62.8122.9178.3-170163.4-70.300110.9M1 R3 P4 V6 I20 F26M1-M22 HydrophobicContact SD-SD 3.78Å; R3-M22 WeakPolarHBondContact O-CE 3.45Å; P4-M22 PolarHBondContact O-N 3.12Å; V6-M22 HydrophobicContact CG2-CB 4.26Å; V6-M22 HydrophobicContact CG2-CE 3.31Å; V6-M22 HydrophobicContact CG2-CG 4.48Å; I20-M22 PolarHBondContact O-N 3.1Å; M22-F26 HydrophobicContact CG-CB 3.95Å; M22-F26 HydrophobicContact CG-CD2 4.32Å; M22-F26 HydrophobicContact CG-CG 4.32Å; M22-F26 HydrophobicContact SD-CB 4.04Å
23P94.2Very high92.4Very high2 Ų253.2 Ų53.21%0.01330%0.302CS..PPolyproline II helixtrans-61.4145.2178.4-26.935.5000112.3K21 V25 F26 F263 L266 D267K21-P23 VanDerWaalsContact O-CD 3.28Å; K21-P23 WeakPolarHBondContact O-CD 3.46Å; P23-V25 PolarHBondContact O-N 3.38Å; P23-F26 HydrophobicContact CB-CD2 4.25Å; P23-F26 HydrophobicContact CG-CD2 4.36Å; P23-F26 HydrophobicContact CG-CE2 4.47Å; P23-F26 PolarHBondContact O-N 3.16Å; P23-F263 HydrophobicContact CG-CD1 4.08Å; P23-F263 HydrophobicContact CG-CE1 3.87Å; P23-F263 HydrophobicContact CG-CE2 4.49Å; P23-F263 HydrophobicContact CG-CG 4.48Å; P23-F263 HydrophobicContact CG-CZ 4.08Å; P23-F263 WeakPolarHBondContact CG-O 3.34Å; P23-L266 HydrophobicContact CB-CB 3.87Å; P23-L266 HydrophobicContact CB-CD1 4.34Å; P23-L266 HydrophobicContact CG-CB 4.03Å; P23-L266 HydrophobicContact CG-CD1 4.09Å; P23-D267 WeakPolarHBondContact CA-OD1 3.38Å; P23-D267 WeakPolarHBondContact CB-OD1 3.32Å
24A92.9Very high92.9Very high12 Ų1253 Ų5310%0.09930%0.296CS..THydrogen-bonded Turntrans-64-17.6-177.100000113.4F26 T27 D267 T272 W273 L285A24-F26 PolarHBondContact O-N 3.45Å; A24-T27 PolarHBondContact O-N 3.04Å; A24-T27 PolarHBondContact O-OG1 3.39Å; A24-D267 PolarHBondContact N-OD1 2.82Å; A24-T272 HydrophobicContact CB-CG2 3.77Å; A24-W273 HydrophobicContact CB-CE3 4.32Å; A24-W273 HydrophobicContact CB-CZ3 4.35Å; A24-L285 HydrophobicContact CB-CD1 3.63Å
25V94Very high93.3Very high0 Ų046.7 Ų46.70%027%0.265CS..THydrogen-bonded Turntrans-60.7-33.6173.9-174.90000111.7P23 T27 V28 C131 I134 Y270 L285P23-V25 PolarHBondContact O-N 3.38Å; V25-T27 VanDerWaalsContact C-N 3.28Å; V25-T27 PolarHBondContact O-N 3.36Å; V25-V28 WeakPolarHBondContact O-CB 3.3Å; V25-V28 WeakPolarHBondContact O-CG2 3.46Å; V25-V28 PolarHBondContact O-N 2.94Å; V25-C131 HydrophobicContact CG1-CB 4.12Å; V25-I134 HydrophobicContact CB-CG2 4.46Å; V25-I134 HydrophobicContact CG1-CB 3.88Å; V25-I134 HydrophobicContact CG1-CD1 4.08Å; V25-I134 HydrophobicContact CG1-CG2 3.7Å; V25-Y270 HydrophobicContact CG2-CD1 4.44Å; V25-Y270 HydrophobicContact CG2-CD2 3.76Å; V25-Y270 HydrophobicContact CG2-CG 3.63Å; V25-L285 HydrophobicContact CG2-CD2 4.41Å
26F94Very high93.6Very high1 Ų151.2 Ų51.20%0.00427%0.273CS..THydrogen-bonded Turntrans-67.5-33.3-179.9-80.7-81.6000111.9M1 M22 P23 A24 V28 I134 A135 T137 P157 W258 F263 L266M1-F26 HydrophobicContact CE-CB 3.96Å; M1-F26 WeakPolarHBondContact CE-O 3.38Å; M1-F26 HydrophobicContact SD-CB 4.16Å; M22-F26 HydrophobicContact CG-CB 3.95Å; M22-F26 HydrophobicContact CG-CD2 4.32Å; M22-F26 HydrophobicContact CG-CG 4.32Å; M22-F26 HydrophobicContact SD-CB 4.04Å; P23-F26 HydrophobicContact CB-CD2 4.25Å; P23-F26 HydrophobicContact CG-CD2 4.36Å; P23-F26 HydrophobicContact CG-CE2 4.47Å; P23-F26 PolarHBondContact O-N 3.16Å; A24-F26 PolarHBondContact O-N 3.45Å; F26-V28 PolarHBondContact O-N 3.19Å; F26-I134 HydrophobicContact CE1-CG2 4.09Å; F26-I134 WeakPolarHBondContact CE1-O 3.48Å; F26-I134 HydrophobicContact CE2-CG2 4.1Å; F26-I134 HydrophobicContact CZ-CG2 3.84Å; F26-A135 WeakPolarHBondContact O-CB 3.49Å; F26-T137 WeakPolarHBondContact CE1-OG1 3.38Å; F26-P157 HydrophobicContact CD1-CG 3.72Å; F26-P157 HydrophobicContact CE1-CB 3.94Å; F26-P157 HydrophobicContact CE1-CG 3.25Å; F26-P157 HydrophobicContact CE2-CG 4.17Å; F26-P157 HydrophobicContact CG-CG 4.34Å; F26-P157 HydrophobicContact CZ-CB 3.87Å; F26-P157 HydrophobicContact CZ-CG 3.52Å; F26-W258 HydrophobicContact CZ-CZ2 4.1Å; F26-F263 HydrophobicContact CD2-CE2 4.19Å; F26-F263 HydrophobicContact CD2-CZ 4.25Å; F26-F263 HydrophobicContact CE2-CD2 4.16Å; F26-F263 AromaticContact CE2-CE2 3.29Å; F26-F263 HydrophobicContact CE2-CE2 3.29Å; F26-F263 AromaticContact CE2-CZ 3.78Å; F26-F263 HydrophobicContact CE2-CZ 3.78Å; F26-F263 AromaticContact CZ-CE2 3.66Å; F26-F263 HydrophobicContact CZ-CE2 3.66Å; F26-F263 HydrophobicContact CZ-CZ 4.41Å; F26-L266 HydrophobicContact CE2-CD1 3.8Å
27T90.6Very high93.9Very high53 Ų5355.4 Ų55.433%0.32529%0.289SS..THydrogen-bonded Turntrans-79.62.1-179.546.10000114.2M1 A24 V25 W273M1-T27 HydrophobicContact CB-CG2 4.33Å; M1-T27 HydrophobicContact CG-CG2 3.92Å; M1-T27 HydrophobicContact SD-CG2 3.25Å; M1-T27 WeakPolarHBondContact SD-CG2 3.4Å; A24-T27 PolarHBondContact O-N 3.04Å; A24-T27 PolarHBondContact O-OG1 3.39Å; V25-T27 VanDerWaalsContact C-N 3.28Å; V25-T27 PolarHBondContact O-N 3.36Å; T27-W273 WeakPolarHBondContact O-CH2 3.41Å; T27-W273 WeakPolarHBondContact OG1-CH2 3.27Å; T27-W273 WeakPolarHBondContact OG1-CZ3 3.24Å
28V92.6Very high94.3Very high4 Ų449.4 Ų49.42%0.02425%0.248CC..SBendtrans-65.2142.1178.5162.30000112V25 F26 L30 Y128 C131 A135 L285 P286V25-V28 WeakPolarHBondContact O-CB 3.3Å; V25-V28 WeakPolarHBondContact O-CG2 3.46Å; V25-V28 PolarHBondContact O-N 2.94Å; F26-V28 PolarHBondContact O-N 3.19Å; V28-L30 PolarHBondContact O-N 3.42Å; V28-Y128 HydrophobicContact CG1-CE1 4.34Å; V28-C131 HydrophobicContact CB-CB 4.38Å; V28-C131 HydrophobicContact CG1-CB 3.93Å; V28-C131 HydrophobicContact CG2-CB 4.16Å; V28-A135 HydrophobicContact CB-CB 4.42Å; V28-L285 HydrophobicContact CG2-CB 4.49Å; V28-L285 HydrophobicContact CG2-CD1 4.38Å; V28-L285 HydrophobicContact CG2-CD2 3.89Å; V28-P286 HydrophobicContact CG1-CG 3.73Å; V28-P286 HydrophobicContact CG2-CG 4.4Å
29P93.1Very high94.6Very high32 Ų3248.7 Ų48.721%0.20824%0.241CC..  trans-56131.3174.222.8-37.3000113.4R31 Y128 P286 P288P29-R31 PolarHBondContact O-N 2.97Å; P29-Y128 HydrophobicContact CG-CE1 4.38Å; P29-Y128 WeakPolarHBondContact CG-OH 3.27Å; P29-P286 HydrophobicContact CG-CG 4.45Å; P29-P288 HydrophobicContact CG-CB 4.48Å
30L94Very high94.9Very high79 Ų7948.6 Ų48.641%0.41424%0.24SC..  trans-77.8101.6179.8-61.1172000110.9V28 A135 A136 L142 M252V28-L30 PolarHBondContact O-N 3.42Å; L30-A135 HydrophobicContact CD2-CB 3.71Å; L30-A136 HydrophobicContact CD2-CB 3.91Å; L30-L142 HydrophobicContact CD1-CD1 3.68Å; L30-L142 HydrophobicContact CD2-CD1 4.44Å; L30-M252 HydrophobicContact CB-SD 4.4Å; L30-M252 HydrophobicContact CD2-SD 4.48Å
31R94.8Very high95.1Very high87 Ų8749 Ų4933%0.32824%0.244SC..  trans-107.593.7179-76.1-166.569.6170.90.9112.9P29 D33 L34 V35 Y128P29-R31 PolarHBondContact O-N 2.97Å; R31-D33 WeakPolarHBondContact CB-OD1 3.37Å; R31-D33 IonicContact CZ-OD2 2.76Å; R31-D33 IonicContact NE-OD1 2.65Å; R31-D33 PolarHBondContact NE-OD1 3.3Å; R31-D33 IonicContact NE-OD2 3.39Å; R31-D33 PolarHBondContact NE-OD2 3.08Å; R31-D33 IonicContact NH2-OD2 3.41Å; R31-D33 PolarHBondContact NH2-OD2 3.44Å; R31-L34 HydrophobicContact CB-CB 3.98Å; R31-V35 WeakPolarHBondContact O-CG2 3.24Å; R31-V35 PolarHBondContact O-N 3.12Å; R31-V35 VanDerWaalsContact O-N 3.13Å; R31-Y128 HydrophobicContact CB-CE1 4.07Å; R31-Y128 WeakPolarHBondContact CD-OH 3.39Å; R31-Y128 HydrophobicContact CG-CE1 3.9Å
32S95.8Very high95.3Very high79 Ų7943.3 Ų43.355%0.55222%0.22SC*.Hα-helixtrans-71.3-33.4-179.260.60000113.4R36S32-R36 VanDerWaalsContact O-CB 3.25Å; S32-R36 WeakPolarHBondContact O-CB 3.44Å; S32-R36 PolarHBondContact O-N 3.36Å
33D96.7Very high95.4Very high83 Ų8350.3 Ų50.344%0.44425%0.245SC..Hα-helixtrans-54.4-52.8171.862.7-45.9000111.3R31 R36 F37R31-D33 WeakPolarHBondContact CB-OD1 3.37Å; R31-D33 IonicContact CZ-OD2 2.76Å; R31-D33 IonicContact NE-OD1 2.65Å; R31-D33 PolarHBondContact NE-OD1 3.3Å; R31-D33 IonicContact NE-OD2 3.39Å; R31-D33 PolarHBondContact NE-OD2 3.08Å; R31-D33 IonicContact NH2-OD2 3.41Å; R31-D33 PolarHBondContact NH2-OD2 3.44Å; D33-R36 PolarHBondContact O-N 3.14Å; D33-F37 WeakPolarHBondContact O-CB 3.36Å; D33-F37 PolarHBondContact O-N 3.47Å
34L96.2Very high95.5Very high16 Ų1652.5 Ų52.58%0.08426%0.256CS..Hα-helixtrans-70.7-42.6-175.5-174153.4000110.6R31 R36 F37 V38 Q125 Y128 A129R31-L34 HydrophobicContact CB-CB 3.98Å; L34-R36 PolarHBondContact O-N 3.28Å; L34-F37 PolarHBondContact O-N 3.06Å; L34-V38 HydrophobicContact CD2-CG2 4.16Å; L34-V38 WeakPolarHBondContact O-CB 3.4Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 2.94Å; L34-Q125 WeakPolarHBondContact CD2-O 3.4Å; L34-Y128 HydrophobicContact CD1-CD1 4.3Å; L34-Y128 HydrophobicContact CD1-CD2 4.04Å; L34-Y128 HydrophobicContact CD1-CG 3.92Å; L34-Y128 HydrophobicContact CD2-CD1 4.31Å; L34-Y128 HydrophobicContact CD2-CG 4.29Å; L34-A129 HydrophobicContact CD2-CB 3.43Å; L34-A129 VanDerWaalsContact CD2-CB 3.43Å; L34-A129 VanDerWaalsContact CD2-N 3.31Å
35V97.4Very high95.7Very high0 Ų054.8 Ų54.80%027%0.266CS..Hα-helixtrans-59.9-45.6175.4167.90000111R31 H39 A129 A132 L243 A247 M252R31-V35 WeakPolarHBondContact O-CG2 3.24Å; R31-V35 PolarHBondContact O-N 3.12Å; R31-V35 VanDerWaalsContact O-N 3.13Å; V35-H39 WeakPolarHBondContact O-CB 3.47Å; V35-H39 PolarHBondContact O-N 3.09Å; V35-A129 HydrophobicContact CG2-CB 4.28Å; V35-A129 WeakPolarHBondContact CG2-O 3.44Å; V35-A132 HydrophobicContact CG2-CB 4.02Å; V35-L243 HydrophobicContact CG1-CD1 4.24Å; V35-A247 HydrophobicContact CG1-CB 3.66Å; V35-M252 HydrophobicContact CB-CE 4.03Å; V35-M252 HydrophobicContact CG1-CE 4.46Å; V35-M252 HydrophobicContact CG2-CE 3.83Å
36R97.5Very high95.7Very high177 Ų17762.8 Ų62.867%0.66830%0.297SS*.Hα-helixtrans-64-44.5178.6-177.4177.2178.5175.9-0.7112S32 D33 L34 T40S32-R36 VanDerWaalsContact O-CB 3.25Å; S32-R36 WeakPolarHBondContact O-CB 3.44Å; S32-R36 PolarHBondContact O-N 3.36Å; D33-R36 PolarHBondContact O-N 3.14Å; L34-R36 PolarHBondContact O-N 3.28Å; R36-T40 WeakPolarHBondContact O-CB 3.46Å; R36-T40 PolarHBondContact O-N 2.99Å; R36-T40 PolarHBondContact O-OG1 2.99Å
37F97.4Very high95.7Very high115 Ų11567.3 Ų67.350%0.50431%0.313SS..Hα-helixtrans-59.5-57.4176.8173.4-104.2000110.9D33 L34 H39 T40 V41D33-F37 WeakPolarHBondContact O-CB 3.36Å; D33-F37 PolarHBondContact O-N 3.47Å; L34-F37 PolarHBondContact O-N 3.06Å; F37-H39 VanDerWaalsContact C-N 3.34Å; F37-H39 PolarHBondContact O-N 3.4Å; F37-T40 WeakPolarHBondContact O-CB 3.43Å; F37-T40 PolarHBondContact O-N 3.05Å; F37-T40 VanDerWaalsContact O-N 3.17Å; F37-V41 HydrophobicContact CD2-CG2 4.43Å; F37-V41 HydrophobicContact CE1-CG2 4.47Å; F37-V41 HydrophobicContact CE2-CG2 4.12Å; F37-V41 HydrophobicContact CZ-CG2 4.14Å; F37-V41 WeakPolarHBondContact O-CG2 3.49Å; F37-V41 PolarHBondContact O-N 3.48Å; F37-V41 VanDerWaalsContact O-N 3.08Å
38V97.7Very high95.9Very high0 Ų072.5 Ų72.50%033%0.334CS..Hα-helixtrans-61.6-42.3-178.3173.80000111.3L34 T40 V41 M42 V121 Q125 R126 A129 L243L34-V38 HydrophobicContact CD2-CG2 4.16Å; L34-V38 WeakPolarHBondContact O-CB 3.4Å; L34-V38 WeakPolarHBondContact O-CG2 3.45Å; L34-V38 PolarHBondContact O-N 2.94Å; V38-T40 VanDerWaalsContact C-N 3.32Å; V38-T40 PolarHBondContact O-N 3.27Å; V38-V41 PolarHBondContact O-N 3.46Å; V38-M42 HydrophobicContact CG1-CG 4.01Å; V38-M42 HydrophobicContact CG1-SD 3.68Å; V38-M42 WeakPolarHBondContact O-CB 3.39Å; V38-M42 WeakPolarHBondContact O-CG 3.32Å; V38-M42 PolarHBondContact O-N 3.32Å; V38-V121 HydrophobicContact CG1-CG1 4.16Å; V38-V121 HydrophobicContact CG2-CG1 4.02Å; V38-Q125 HydrophobicContact CG2-CB 4.23Å; V38-R126 HydrophobicContact CG1-CB 4.39Å; V38-R126 HydrophobicContact CG1-CG 4.34Å; V38-A129 HydrophobicContact CB-CB 3.85Å; V38-A129 HydrophobicContact CG1-CB 3.94Å; V38-A129 HydrophobicContact CG2-CB 3.99Å; V38-L243 HydrophobicContact CB-CD2 3.85Å; V38-L243 HydrophobicContact CG1-CD2 3.49Å; V38-L243 VanDerWaalsContact CG1-CD2 3.49Å
39H98Very high95.9Very high12 Ų1275.6 Ų75.66%0.05635%0.354CS..Hα-helixtrans-59-44.7177.3174.2-81.8000111.4V35 F37 V41 M42 R43 L243 A247 G249 G250V35-H39 WeakPolarHBondContact O-CB 3.47Å; V35-H39 PolarHBondContact O-N 3.09Å; F37-H39 VanDerWaalsContact C-N 3.34Å; F37-H39 PolarHBondContact O-N 3.4Å; H39-V41 PolarHBondContact O-N 3.36Å; H39-M42 PolarHBondContact O-N 2.85Å; H39-R43 VanDerWaalsContact O-CB 3.26Å; H39-R43 WeakPolarHBondContact O-CB 3.47Å; H39-R43 PolarHBondContact O-N 3.28Å; H39-L243 HydrophobicContact CB-CD2 4.1Å; H39-A247 PolarHBondContact CD2-O 3.26Å; H39-A247 PolarHBondContact NE2-O 3.09Å; H39-G249 VanDerWaalsContact CE1-CA 3.44Å; H39-G249 WeakPolarHBondContact CE1-CA 3.07Å; H39-G249 PolarHBondContact CE1-N 2.96Å; H39-G249 PolarHBondContact NE2-N 2.9Å; H39-G250 PolarHBondContact CD2-N 3.16Å; H39-G250 PolarHBondContact CE1-N 3.39Å; H39-G250 PolarHBondContact ND1-N 3.22Å; H39-G250 PolarHBondContact NE2-N 2.99Å
40T96.9Very high95.8Very high75 Ų7579.6 Ų79.646%0.4637%0.366SS..Hα-helixtrans-60.5-47.5178.8-590000110.8R36 F37 V38 R43 L44R36-T40 WeakPolarHBondContact O-CB 3.46Å; R36-T40 PolarHBondContact O-N 2.99Å; R36-T40 PolarHBondContact O-OG1 2.99Å; F37-T40 WeakPolarHBondContact O-CB 3.43Å; F37-T40 PolarHBondContact O-N 3.05Å; F37-T40 VanDerWaalsContact O-N 3.17Å; V38-T40 VanDerWaalsContact C-N 3.32Å; V38-T40 PolarHBondContact O-N 3.27Å; T40-R43 PolarHBondContact O-N 3.33Å; T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.98Å
41V96.7Very high95.4Very high21 Ų2177.8 Ų77.813%0.12736%0.362CS..Hα-helixtrans-66.7-44.4-179.5-174.20000111.5F37 V38 H39 R43 L44 R119 V121F37-V41 HydrophobicContact CD2-CG2 4.43Å; F37-V41 HydrophobicContact CE1-CG2 4.47Å; F37-V41 HydrophobicContact CE2-CG2 4.12Å; F37-V41 HydrophobicContact CZ-CG2 4.14Å; F37-V41 WeakPolarHBondContact O-CG2 3.49Å; F37-V41 PolarHBondContact O-N 3.48Å; F37-V41 VanDerWaalsContact O-N 3.08Å; V38-V41 PolarHBondContact O-N 3.46Å; H39-V41 PolarHBondContact O-N 3.36Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 3.33Å; V41-L44 WeakPolarHBondContact O-CB 3.5Å; V41-L44 PolarHBondContact O-N 2.96Å; V41-R119 HydrophobicContact CG1-CB 3.25Å; V41-R119 HydrophobicContact CG1-CG 4.21Å; V41-V121 HydrophobicContact CB-CG2 3.69Å; V41-V121 HydrophobicContact CG1-CG2 3.3Å
42M96.7Very high94.8Very high32 Ų3275.9 Ų75.916%0.15836%0.36CS..Hα-helixtrans-63.2-36.8176.9-74.9-17667.900112.7V38 H39 L44 N45 V121 R126 L243 L244V38-M42 HydrophobicContact CG1-CG 4.01Å; V38-M42 HydrophobicContact CG1-SD 3.68Å; V38-M42 WeakPolarHBondContact O-CB 3.39Å; V38-M42 WeakPolarHBondContact O-CG 3.32Å; V38-M42 PolarHBondContact O-N 3.32Å; H39-M42 PolarHBondContact O-N 2.85Å; M42-L44 VanDerWaalsContact C-N 3.29Å; M42-L44 PolarHBondContact O-N 2.67Å; M42-N45 WeakPolarHBondContact O-CB 3.25Å; M42-N45 PolarHBondContact O-N 3.14Å; M42-V121 HydrophobicContact CG-CG2 4.45Å; M42-R126 HydrophobicContact SD-CG 3.97Å; M42-L243 HydrophobicContact CE-CB 4.41Å; M42-L243 HydrophobicContact SD-CB 3.97Å; M42-L243 HydrophobicContact SD-CD2 4.17Å; M42-L244 HydrophobicContact CB-CD2 4.12Å; M42-L244 HydrophobicContact CB-CG 4.46Å
43R96.2Very high93.8Very high177 Ų17775.1 Ų75.167%0.66836%0.355SS*.Hα-helixtrans-64.5-34.1178.4-179.2-178.5171.6-154-2.3112H39 T40 V41 N45 R46 L244H39-R43 VanDerWaalsContact O-CB 3.26Å; H39-R43 WeakPolarHBondContact O-CB 3.47Å; H39-R43 PolarHBondContact O-N 3.28Å; T40-R43 PolarHBondContact O-N 3.33Å; V41-R43 VanDerWaalsContact C-N 3.33Å; V41-R43 PolarHBondContact O-N 3.33Å; R43-N45 PolarHBondContact O-N 3.42Å; R43-R46 PolarHBondContact O-N 3.04Å; R43-L244 HydrophobicContact CB-CD2 4.24Å
44L96.5Very high92.3Very high48 Ų4874.4 Ų74.425%0.25135%0.348SS..Hα-helixtrans-62.1-29.9177.5-67.3173.1000112.2T40 V41 M42 R46 R47 R119T40-L44 WeakPolarHBondContact O-CG 3.46Å; T40-L44 PolarHBondContact O-N 2.98Å; V41-L44 WeakPolarHBondContact O-CB 3.5Å; V41-L44 PolarHBondContact O-N 2.96Å; M42-L44 VanDerWaalsContact C-N 3.29Å; M42-L44 PolarHBondContact O-N 2.67Å; L44-R46 PolarHBondContact O-N 2.94Å; L44-R46 VanDerWaalsContact O-N 3.13Å; L44-R47 WeakPolarHBondContact O-CB 3.06Å; L44-R47 VanDerWaalsContact O-CG 3.29Å; L44-R47 WeakPolarHBondContact O-CG 3.07Å; L44-R47 PolarHBondContact O-N 2.96Å; L44-R47 VanDerWaalsContact O-N 3.14Å; L44-R119 HydrophobicContact CD1-CG 4.01Å
45N95.9Very high90.3Very high59 Ų5978.7 Ų78.732%0.31637%0.371SS..THydrogen-bonded Turntrans-70.1-8.6-177.3-64.1-16.3000114.4M42 R43 H118 R119M42-N45 WeakPolarHBondContact O-CB 3.25Å; M42-N45 PolarHBondContact O-N 3.14Å; R43-N45 PolarHBondContact O-N 3.42Å; N45-H118 WeakPolarHBondContact CA-ND1 3.15Å; N45-H118 PolarHBondContact O-CE1 3.46Å; N45-H118 PolarHBondContact O-ND1 3.11Å; N45-H118 VanDerWaalsContact OD1-CA 3.27Å; N45-H118 WeakPolarHBondContact OD1-CA 3.25Å; N45-R119 PolarHBondContact ND2-O 3.31Å; N45-R119 PolarHBondContact OD1-N 3.05Å; N45-R119 PolarHBondContact OD1-O 3.48Å
46R94.5Very high87.4Confident169 Ų16982.1 Ų82.164%0.63840%0.399SS*.THydrogen-bonded Turntrans-95.66.3174.4-69.2-171.7172.4-169.9-3.6113.7R43 L44R43-R46 PolarHBondContact O-N 3.04Å; L44-R46 PolarHBondContact O-N 2.94Å; L44-R46 VanDerWaalsContact O-N 3.13Å
47R94.6Very high84.3Confident95 Ų9576.3 Ų76.336%0.35839%0.394SS..PPolyproline II helixtrans-83.4130.4-178.4-64.6178.473.6169.99.8109.7L44 W117L44-R47 WeakPolarHBondContact O-CB 3.06Å; L44-R47 VanDerWaalsContact O-CG 3.29Å; L44-R47 WeakPolarHBondContact O-CG 3.07Å; L44-R47 PolarHBondContact O-N 2.96Å; L44-R47 VanDerWaalsContact O-N 3.14Å; R47-W117 HydrophobicContact CB-CE3 4.19Å
48H93.5Very high81.3Confident162 Ų16279.9 Ų79.975%0.7541%0.41SS*.PPolyproline II helixtrans-78137.4165.8-66.1-89.9000109.5
49P93.2Very high78.6Confident69 Ų6983.7 Ų83.745%0.44844%0.436SS..PPolyproline II helixtrans-61.9141173.527.7-34.2000109.8V113P49-V113 HydrophobicContact CB-CG1 4.2Å
50Y90.8Very high76.2Confident117 Ų11791.9 Ų91.946%0.45948%0.478SS..  trans-133.1147.1170.461.9-95.1000108.8T111 W117Y50-T111 HydrophobicContact CE2-CG2 4.23Å; Y50-W117 AromaticContact CD1-CH2 3.5Å; Y50-W117 HydrophobicContact CD1-CH2 3.5Å; Y50-W117 VanDerWaalsContact CD1-CH2 3.5Å; Y50-W117 HydrophobicContact CD1-CZ2 4.21Å; Y50-W117 AromaticContact CD1-CZ3 3.99Å; Y50-W117 HydrophobicContact CD1-CZ3 3.99Å; Y50-W117 HydrophobicContact CD2-CH2 4.38Å; Y50-W117 AromaticContact CE1-CH2 3.17Å; Y50-W117 HydrophobicContact CE1-CH2 3.17Å; Y50-W117 HydrophobicContact CE1-CZ2 4.27Å; Y50-W117 AromaticContact CE1-CZ3 3.45Å; Y50-W117 HydrophobicContact CE1-CZ3 3.45Å; Y50-W117 VanDerWaalsContact CE1-CZ3 3.45Å; Y50-W117 HydrophobicContact CE2-CH2 4.1Å; Y50-W117 HydrophobicContact CG-CH2 4.1Å; Y50-W117 AromaticContact CZ-CH2 3.5Å; Y50-W117 VanDerWaalsContact CZ-CH2 3.5Å
51A86.9Confident74Confident40 Ų4092.5 Ų92.533%0.33148%0.478SS..  trans-145.1161179.600000110T111 V113A51-T111 VanDerWaalsContact CA-O 3.32Å; A51-T111 WeakPolarHBondContact CA-O 3.43Å; A51-T111 WeakPolarHBondContact CA-OG1 3.45Å; A51-T111 VanDerWaalsContact CB-O 3.24Å; A51-T111 WeakPolarHBondContact CB-O 3.39Å; A51-V113 HydrophobicContact CB-CB 4.47Å; A51-V113 HydrophobicContact CB-CG2 3.43Å; A51-V113 VanDerWaalsContact CB-CG2 3.43Å
52V82.5Confident71.8Confident47 Ų4792 Ų9229%0.28548%0.476SS..  trans-76.9149.6163.4174.60000106.5K54 V64 T111V52-K54 PolarHBondContact O-N 2.97Å; V52-K54 VanDerWaalsContact O-N 3.11Å; V52-V64 HydrophobicContact CG1-CB 3.87Å; V52-V64 HydrophobicContact CG1-CG2 3.47Å; V52-V64 VanDerWaalsContact CG1-CG2 3.47Å; V52-T111 PolarHBondContact N-O 3Å; V52-T111 PolarHBondContact N-OG1 3.37Å; V52-T111 VanDerWaalsContact N-OG1 3.11Å
53S73.3Confident69.7Low64 Ų6491.5 Ų91.545%0.44847%0.473SS..  trans-51.3121.7179.3-173.80000110.4
54K65Low67.9Low67 Ų6786.4 Ų86.429%0.29146%0.462SS..  trans-90.4-37.4174.4-70.1-173.4177.4-174.10111.2V52 L63 S112V52-K54 PolarHBondContact O-N 2.97Å; V52-K54 VanDerWaalsContact O-N 3.11Å; K54-L63 WeakPolarHBondContact O-CD1 3.48Å; K54-S112 PolarHBondContact NZ-OG 3.29Å
55D54.6Low66.5Low107 Ų10784.7 Ų84.757%0.57246%0.456SS*.  trans-140.2114.6-159.7-66-59.3000111.8
56A37.9Very low65.5Low71 Ų7184.1 Ų84.159%0.58745%0.451SS*.SBendtrans-136.666.215400000103.7L63A56-L63 HydrophobicContact CB-CD1 4.03Å
57G31.4Very low64.8Low56 Ų5683 Ų8358%0.57745%0.453SS*.SBendtrans95.491.2171.800000116.4
58K34.8Very low64.2Low189 Ų18980.5 Ų80.582%0.82245%0.449SS*.SBendtrans68.2126.2155.2-60.1177179.5177.80117.5
59S40.5Very low63.9Low80 Ų8076.5 Ų76.556%0.55944%0.439SS*.SBendtrans93.3138.2170.386.30000116.7I61S59-I61 PolarHBondContact O-N 3.24Å
60I48.1Very low63.7Low184 Ų18473.7 Ų73.794%0.94442%0.421SS*.SBendtrans-57.913-165.9-79.6157.6000116.2
61I50.7Low63.7Low89 Ų8973.6 Ų73.646%0.45643%0.425SS..SBendtrans-119.8117.7-169.7-57.7164.6000109.6S59 L63 H66S59-I61 PolarHBondContact O-N 3.24Å; I61-L63 PolarHBondContact O-N 3.34Å; I61-H66 VanDerWaalsContact CG2-CE1 3.5Å; I61-H66 WeakPolarHBondContact CG2-CE1 3.14Å
62S49.7Very low64Low11 Ų1174.3 Ų74.38%0.07743%0.428CS..  trans-33.1106174.2159.70000113.5V64 H66S62-V64 PolarHBondContact O-N 3.07Å; S62-V64 VanDerWaalsContact O-N 3.13Å; S62-H66 PolarHBondContact O-CD2 3.35Å
63L54Low64.5Low20 Ų2076.8 Ų76.811%0.10543%0.432CS..  trans-65.8-18.9-173.8-76.2160.8000115.8K54 A56 I61 G65 H66 Q67K54-L63 WeakPolarHBondContact O-CD1 3.48Å; A56-L63 HydrophobicContact CB-CD1 4.03Å; I61-L63 PolarHBondContact O-N 3.34Å; L63-G65 PolarHBondContact O-N 3.31Å; L63-H66 PolarHBondContact O-N 3.44Å; L63-Q67 HydrophobicContact CB-CG 4.47Å; L63-Q67 HydrophobicContact CD2-CG 4.16Å
64V56.7Low65.3Low70 Ų7075.1 Ų75.142%0.42443%0.425SS..THydrogen-bonded Turntrans-62.8108.4173.8-179.70000109.1V52 S62 R106V52-V64 HydrophobicContact CG1-CB 3.87Å; V52-V64 HydrophobicContact CG1-CG2 3.47Å; V52-V64 VanDerWaalsContact CG1-CG2 3.47Å; S62-V64 PolarHBondContact O-N 3.07Å; S62-V64 VanDerWaalsContact O-N 3.13Å; V64-R106 VanDerWaalsContact O-CA 3.24Å; V64-R106 WeakPolarHBondContact O-CA 3.32Å; V64-R106 WeakPolarHBondContact O-CB 3.41Å
65G68.4Low66.7Low12 Ų1276.6 Ų76.612%0.12444%0.44CS..THydrogen-bonded Turntrans84.68.4-178.500000115.8L63 F98 G104L63-G65 PolarHBondContact O-N 3.31Å; G65-F98 WeakPolarHBondContact O-CD1 3.48Å; G65-G104 WeakPolarHBondContact CA-O 3.38Å
66H74.7Confident68.6Low48 Ų4875.5 Ų75.522%0.22245%0.454CS..THydrogen-bonded Turntrans-111.5-4.1177.2-80.5-84000115.4I61 S62 L63 T68 F98 R106I61-H66 VanDerWaalsContact CG2-CE1 3.5Å; I61-H66 WeakPolarHBondContact CG2-CE1 3.14Å; S62-H66 PolarHBondContact O-CD2 3.35Å; L63-H66 PolarHBondContact O-N 3.44Å; H66-T68 VanDerWaalsContact C-N 3.28Å; H66-T68 PolarHBondContact O-N 2.93Å; H66-F98 HydrophobicContact CB-CE1 4.46Å; H66-F98 AromaticContact ND1-CD1 3.73Å; H66-R106 WeakPolarHBondContact NE2-CD 3.12Å; H66-R106 WeakPolarHBondContact NE2-CG 3.32Å; H66-R106 PolarHBondContact NE2-NE 3.47Å; H66-R106 VanDerWaalsContact NE2-NE 3.12Å
67Q79.1Confident71Confident146 Ų14679.1 Ų79.168%0.68245%0.453SS*.SBendtrans-75.3-14.4-179.5-67.4170.2-23.100113.8L63L63-Q67 HydrophobicContact CB-CG 4.47Å; L63-Q67 HydrophobicContact CD2-CG 4.16Å
68T81.8Confident73.9Confident42 Ų4281.8 Ų81.826%0.25847%0.469SS..SBendtrans-82.5130.7-177.147.50000111.9H66 A70 V85 F98H66-T68 VanDerWaalsContact C-N 3.28Å; H66-T68 PolarHBondContact O-N 2.93Å; T68-A70 PolarHBondContact O-N 3.46Å; T68-A70 VanDerWaalsContact O-N 3.09Å; T68-V85 HydrophobicContact CG2-CG2 4.3Å; T68-F98 WeakPolarHBondContact O-CE1 3.27Å; T68-F98 WeakPolarHBondContact O-CZ 3.13Å
69S87.3Confident76.6Confident77 Ų7775.5 Ų75.554%0.53845%0.446SS..  trans-73.399.7167.654.40000110R86S69-R86 PolarHBondContact O-N 3.27Å; S69-R86 VanDerWaalsContact O-N 3.09Å
70A89.4Confident79.2Confident10 Ų1074.5 Ų74.58%0.08344%0.443CS..EExtended strand (participates in β ladder)trans-133.5144.4-178.400000111.1T68 P83 R84 A97 F98T68-A70 PolarHBondContact O-N 3.46Å; T68-A70 VanDerWaalsContact O-N 3.09Å; A70-P83 HydrophobicContact CB-CB 4.02Å; A70-R84 WeakPolarHBondContact CA-O 3.41Å; A70-R84 VanDerWaalsContact CB-C 3.48Å; A70-R84 VanDerWaalsContact CB-O 3.27Å; A70-R84 WeakPolarHBondContact CB-O 3.42Å; A70-A97 HydrophobicContact CB-CB 3.63Å; A70-F98 HydrophobicContact CB-CD2 4.16Å; A70-F98 HydrophobicContact CB-CE2 3.75Å; A70-F98 HydrophobicContact CB-CZ 4.18Å; A70-F98 VanDerWaalsContact O-CE2 3.3Å; A70-F98 WeakPolarHBondContact O-CE2 3.47Å
71Q90.6Very high81.4Confident116 Ų11674.6 Ų74.654%0.54243%0.431SS..EExtended strand (participates in β ladder)trans-138.5153.9172.3-78.5-172.4-18.400109.6W73 P83 R84Q71-W73 PolarHBondContact O-N 2.81Å; Q71-P83 WeakPolarHBondContact O-CA 3.46Å; Q71-R84 PolarHBondContact N-O 3.14Å; Q71-R84 PolarHBondContact O-N 3.42Å
72S93.5Very high83.4Confident55 Ų5572.3 Ų72.339%0.38542%0.419SS..EExtended strand (participates in β ladder)trans-65.2135.3173.5-173.50000108.7G74 R81S72-G74 PolarHBondContact O-N 2.93Å; S72-G74 PolarHBondContact OG-N 3.41Å; S72-R81 WeakPolarHBondContact CB-O 3.44Å; S72-R81 VanDerWaalsContact OG-C 3.29Å; S72-R81 PolarHBondContact OG-O 3.14Å
73W92.4Very high85.4Confident98 Ų9873.6 Ų73.637%0.37143%0.428SS..  trans-75.6-5171.8-66.4-10.6000113Q71 V79 R84Q71-W73 PolarHBondContact O-N 2.81Å; W73-V79 HydrophobicContact CE3-CG1 4.42Å; W73-R84 HydrophobicContact CD2-CB 4.31Å; W73-R84 HydrophobicContact CD2-CG 4.5Å; W73-R84 HydrophobicContact CZ2-CB 4.01Å
74G91.3Very high87.3Confident30 Ų3074.9 Ų74.931%0.30943%0.431SS..  trans77.4-164.6-175.900000112.9S72S72-G74 PolarHBondContact O-N 2.93Å; S72-G74 PolarHBondContact OG-N 3.41Å
75T93.8Very high88.9Confident97 Ų9772.4 Ų72.460%0.59542%0.416SS*.SBendtrans-82.1167.3172450000111R81T75-R81 HydrophobicContact CG2-CG 4.4Å; T75-R81 VanDerWaalsContact CG2-NH2 3.35Å
76G94Very high90Very high85 Ų8578.2 Ų78.288%0.87643%0.434SS*.SBendtrans90.96.2171.900000116.5
77R89.5Confident90.8Very high147 Ų14779.3 Ų79.356%0.55546%0.458SS*.SBendtrans-113.416.4178.3-57.5-162.2-172.4-168.6-8.1115V79R77-V79 HydrophobicContact CB-CB 4.49Å; R77-V79 VanDerWaalsContact O-CG2 3.23Å; R77-V79 WeakPolarHBondContact O-CG2 3.47Å; R77-V79 PolarHBondContact O-N 3.3Å; R77-V79 VanDerWaalsContact O-N 3.13Å
78A92.2Very high91.4Very high111 Ų11175.1 Ų75.192%0.91746%0.455SS*.SBendtrans51.432.5-171.700000113.9
79V92Very high91.8Very high57 Ų5777.5 Ų77.535%0.34549%0.488SS..SBendtrans-141.2146.7-171.7171.90000110.2W73 R77W73-V79 HydrophobicContact CE3-CG1 4.42Å; R77-V79 HydrophobicContact CB-CB 4.49Å; R77-V79 VanDerWaalsContact O-CG2 3.23Å; R77-V79 WeakPolarHBondContact O-CG2 3.47Å; R77-V79 PolarHBondContact O-N 3.3Å; R77-V79 VanDerWaalsContact O-N 3.13Å
80A93.6Very high92Very high59 Ų5977.9 Ų77.949%0.48849%0.487SS..  trans-61.3148178.500000113.2I82A80-I82 HydrophobicContact CB-CD1 4.44Å; A80-I82 HydrophobicContact CB-CG1 4.42Å; A80-I82 PolarHBondContact O-N 3.02Å
81R94.6Very high92.2Very high186 Ų18686.5 Ų86.570%0.70253%0.525SS*.SBendtrans-68.813.5-176.5-56.7-178.4-173.3-177.6-0.2115.4S72 T75S72-R81 WeakPolarHBondContact CB-O 3.44Å; S72-R81 VanDerWaalsContact OG-C 3.29Å; S72-R81 PolarHBondContact OG-O 3.14Å; T75-R81 HydrophobicContact CG2-CG 4.4Å; T75-R81 VanDerWaalsContact CG2-NH2 3.35Å
82I92.5Very high92.1Very high41 Ų4184.5 Ų84.521%0.2151%0.512CS..SBendtrans-72.5141.8-178.8-61.5172.5000109.4A80 R84 A96 M101 C102A80-I82 HydrophobicContact CB-CD1 4.44Å; A80-I82 HydrophobicContact CB-CG1 4.42Å; A80-I82 PolarHBondContact O-N 3.02Å; I82-R84 PolarHBondContact O-N 3.1Å; I82-A96 HydrophobicContact CB-CB 4.46Å; I82-A96 HydrophobicContact CG2-CB 3.79Å; I82-M101 HydrophobicContact CB-CE 4.25Å; I82-M101 HydrophobicContact CD1-CE 3.32Å; I82-M101 HydrophobicContact CD1-CG 4.06Å; I82-M101 HydrophobicContact CG1-CE 3.41Å; I82-M101 VanDerWaalsContact CG1-CE 3.41Å; I82-M101 HydrophobicContact CG2-CE 3.84Å; I82-C102 VanDerWaalsContact CG2-SG 3.54Å
83P92.6Very high92Very high38 Ų3883.2 Ų83.225%0.24750%0.504CS..EExtended strand (participates in β ladder)trans-54.6134.4173.4-27.136.3000112.7A70 Q71 A96 A97 F98A70-P83 HydrophobicContact CB-CB 4.02Å; Q71-P83 WeakPolarHBondContact O-CA 3.46Å; P83-A96 CarbonylContact O-C 3.57Å; P83-A96 WeakPolarHBondContact O-CA 3.46Å; P83-A97 PolarHBondContact O-N 3.33Å; P83-F98 HydrophobicContact CB-CD2 3.67Å; P83-F98 HydrophobicContact CB-CE2 4.28Å; P83-F98 HydrophobicContact CG-CD2 4Å
84R92.8Very high91.9Very high48 Ų4879.4 Ų79.418%0.18150%0.495CS..EExtended strand (participates in β ladder)trans-120.4142.3-179.6-72.6173.8-178.9-86.9-4.1111.6A70 Q71 W73 I82 R86 G94 Q95A70-R84 WeakPolarHBondContact CA-O 3.41Å; A70-R84 VanDerWaalsContact CB-C 3.48Å; A70-R84 VanDerWaalsContact CB-O 3.27Å; A70-R84 WeakPolarHBondContact CB-O 3.42Å; Q71-R84 PolarHBondContact N-O 3.14Å; Q71-R84 PolarHBondContact O-N 3.42Å; W73-R84 HydrophobicContact CD2-CB 4.31Å; W73-R84 HydrophobicContact CD2-CG 4.5Å; W73-R84 HydrophobicContact CZ2-CB 4.01Å; I82-R84 PolarHBondContact O-N 3.1Å; R84-R86 PolarHBondContact O-N 2.74Å; R84-G94 WeakPolarHBondContact CD-O 3.35Å; R84-G94 WeakPolarHBondContact CG-O 3.48Å; R84-G94 PolarHBondContact NH1-O 3.39Å; R84-Q95 VanDerWaalsContact CA-O 3.27Å; R84-Q95 WeakPolarHBondContact CA-O 3.28Å
85V91.9Very high92Very high18 Ų1881.9 Ų81.911%0.10950%0.498CS..EExtended strand (participates in β ladder)trans-62.4130.4-178.9-177.50000109.9T68 R92 G94 Q95 A97T68-V85 HydrophobicContact CG2-CG2 4.3Å; V85-R92 HydrophobicContact CG2-CG 4.38Å; V85-G94 PolarHBondContact O-N 2.94Å; V85-Q95 PolarHBondContact N-O 2.91Å; V85-A97 HydrophobicContact CG2-CB 3.94Å
86R91.3Very high91.9Very high134 Ų13478.3 Ų78.351%0.50648%0.479SS..  trans-73167.3179.4-66175.5171.7-173.5-7.4112.3S69 R84S69-R86 PolarHBondContact O-N 3.27Å; S69-R86 VanDerWaalsContact O-N 3.09Å; R84-R86 PolarHBondContact O-N 2.74Å
87G90.3Very high91.6Very high70 Ų7074.3 Ų74.372%0.72244%0.437SS*.  trans91-175.3176.600000114S93G87-S93 WeakPolarHBondContact O-CB 3.32Å
88G91.3Very high91.3Very high59 Ų5969.7 Ų69.761%0.60842%0.421SS*.SBendtrans-141.5178.6174.800000110.1T90G88-T90 VanDerWaalsContact C-N 3.27Å; G88-T90 PolarHBondContact O-N 3.16Å
89G91.5Very high90.9Very high92 Ų9265.1 Ų65.195%0.94839%0.385SS*.SBendtrans81.7-11.2175.800000116.1
90T92.1Very high90.8Very high85 Ų8567.6 Ų67.652%0.52140%0.396SS..SBendtrans-114.1146.7171.875.40000110.9G88 R92 S93G88-T90 VanDerWaalsContact C-N 3.27Å; G88-T90 PolarHBondContact O-N 3.16Å; T90-R92 PolarHBondContact O-N 2.96Å; T90-R92 PolarHBondContact OG1-N 3.06Å; T90-S93 WeakPolarHBondContact O-CB 3.24Å; T90-S93 PolarHBondContact O-N 3.47Å; T90-S93 PolarHBondContact OG1-N 3.26Å; T90-S93 PolarHBondContact OG1-OG 3Å
91H91.7Very high90.7Very high191 Ų19170.5 Ų70.588%0.88440%0.401SS*.THydrogen-bonded Turntrans-59.7-15.5172.8-68.4-71.8000113.5Q95H91-Q95 PolarHBondContact O-NE2 3.5Å
92R89.1Confident90.4Very high73 Ų7362.4 Ų62.428%0.27537%0.373SS..THydrogen-bonded Turntrans-84.6-26.5178.2-17356.81771760.2112.7V85 T90 Q95 R103V85-R92 HydrophobicContact CG2-CG 4.38Å; T90-R92 PolarHBondContact O-N 2.96Å; T90-R92 PolarHBondContact OG1-N 3.06Å; R92-Q95 WeakPolarHBondContact O-CB 3.47Å; R92-Q95 WeakPolarHBondContact O-CG 3.17Å; R92-Q95 PolarHBondContact O-N 3.1Å; R92-R103 PolarHBondContact NH1-O 2.69Å; R92-R103 PolarHBondContact NH2-O 2.65Å
93S91.2Very high90.1Very high29 Ų2971.2 Ų71.220%0.20340%0.403CS..THydrogen-bonded Turntrans-58.3135.6177.8-63.40000111G87 T90 Q95G87-S93 WeakPolarHBondContact O-CB 3.32Å; T90-S93 WeakPolarHBondContact O-CB 3.24Å; T90-S93 PolarHBondContact O-N 3.47Å; T90-S93 PolarHBondContact OG1-N 3.26Å; T90-S93 PolarHBondContact OG1-OG 3Å; S93-Q95 VanDerWaalsContact C-N 3.26Å; S93-Q95 PolarHBondContact O-N 3.27Å
94G89.7Confident89.6Confident18 Ų1872 Ų7219%0.18642%0.418CS..THydrogen-bonded Turntrans79.7-10.7-176.500000116.1R84 V85R84-G94 WeakPolarHBondContact CD-O 3.35Å; R84-G94 WeakPolarHBondContact CG-O 3.48Å; R84-G94 PolarHBondContact NH1-O 3.39Å; V85-G94 PolarHBondContact O-N 2.94Å
95Q93.5Very high89.1Confident81 Ų8170.4 Ų70.438%0.37942%0.417SS..  trans-73.5153.4174.7-61.8-171.30.400112.2R84 V85 H91 R92 S93R84-Q95 VanDerWaalsContact CA-O 3.27Å; R84-Q95 WeakPolarHBondContact CA-O 3.28Å; V85-Q95 PolarHBondContact N-O 2.91Å; H91-Q95 PolarHBondContact O-NE2 3.5Å; R92-Q95 WeakPolarHBondContact O-CB 3.47Å; R92-Q95 WeakPolarHBondContact O-CG 3.17Å; R92-Q95 PolarHBondContact O-N 3.1Å; S93-Q95 VanDerWaalsContact C-N 3.26Å; S93-Q95 PolarHBondContact O-N 3.27Å
96A92Very high88.7Confident23 Ų2374.5 Ų74.519%0.1943%0.431CS..BIsolated β-bridgetrans-68.6142178.100000112.8I82 P83 C102I82-A96 HydrophobicContact CB-CB 4.46Å; I82-A96 HydrophobicContact CG2-CB 3.79Å; P83-A96 CarbonylContact O-C 3.57Å; P83-A96 WeakPolarHBondContact O-CA 3.46Å; A96-C102 HydrophobicContact CB-CB 4.33Å
97A88.2Confident88.3Confident1 Ų172.8 Ų72.81%0.00843%0.429CS..  trans-138.4171.3-17500000112.3A70 P83 V85 G99A70-A97 HydrophobicContact CB-CB 3.63Å; P83-A97 PolarHBondContact O-N 3.33Å; V85-A97 HydrophobicContact CG2-CB 3.94Å; A97-G99 PolarHBondContact O-N 3.02Å
98F83.1Confident88.1Confident50 Ų5077 Ų7722%0.21943%0.428CS..SBendtrans60.9-37.8-177.7-55.8-46000117.4G65 H66 T68 A70 P83 R106G65-F98 WeakPolarHBondContact O-CD1 3.48Å; H66-F98 HydrophobicContact CB-CE1 4.46Å; H66-F98 AromaticContact ND1-CD1 3.73Å; T68-F98 WeakPolarHBondContact O-CE1 3.27Å; T68-F98 WeakPolarHBondContact O-CZ 3.13Å; A70-F98 HydrophobicContact CB-CD2 4.16Å; A70-F98 HydrophobicContact CB-CE2 3.75Å; A70-F98 HydrophobicContact CB-CZ 4.18Å; A70-F98 VanDerWaalsContact O-CE2 3.3Å; A70-F98 WeakPolarHBondContact O-CE2 3.47Å; P83-F98 HydrophobicContact CB-CD2 3.67Å; P83-F98 HydrophobicContact CB-CE2 4.28Å; P83-F98 HydrophobicContact CG-CD2 4Å; F98-R106 WeakPolarHBondContact O-CG 3.31Å; F98-R106 PolarHBondContact O-N 3.35Å
99G84.4Confident87.7Confident14 Ų1477.4 Ų77.414%0.14443%0.426CS..SBendtrans-66.7146.4-174.700000113.3A97 M101 C102 G105A97-G99 PolarHBondContact O-N 3.02Å; G99-M101 VanDerWaalsContact CA-SD 3.57Å; G99-M101 PolarHBondContact O-N 3.4Å; G99-C102 VanDerWaalsContact O-CB 3.29Å; G99-C102 WeakPolarHBondContact O-CB 3.37Å; G99-C102 PolarHBondContact O-N 2.92Å; G99-G105 WeakPolarHBondContact O-CA 3.5Å
100N89.1Confident87.3Confident109 Ų10975.2 Ų75.258%0.58340%0.395SS*.THydrogen-bonded Turntrans-64-22.5172.661-30.1000113.7C102 R106 F108N100-C102 VanDerWaalsContact C-N 3.34Å; N100-R106 WeakPolarHBondContact CA-O 3.37Å; N100-R106 WeakPolarHBondContact CB-O 3.3Å; N100-F108 HydrophobicContact CB-CB 4.28Å
101M91.2Very high87Confident121 Ų12173.1 Ų73.160%0.59638%0.382SS*.THydrogen-bonded Turntrans-80.8-10.3170.865.1-69.8-171.600113.7I82 G99I82-M101 HydrophobicContact CB-CE 4.25Å; I82-M101 HydrophobicContact CD1-CE 3.32Å; I82-M101 HydrophobicContact CD1-CG 4.06Å; I82-M101 HydrophobicContact CG1-CE 3.41Å; I82-M101 VanDerWaalsContact CG1-CE 3.41Å; I82-M101 HydrophobicContact CG2-CE 3.84Å; G99-M101 VanDerWaalsContact CA-SD 3.57Å; G99-M101 PolarHBondContact O-N 3.4Å
102C88.6Confident86.5Confident16 Ų1665.5 Ų65.511%0.10835%0.35CS..SBendtrans-92.2139.9-175-56.20000111.2I82 A96 G99 N100 G104 G105I82-C102 VanDerWaalsContact CG2-SG 3.54Å; A96-C102 HydrophobicContact CB-CB 4.33Å; G99-C102 VanDerWaalsContact O-CB 3.29Å; G99-C102 WeakPolarHBondContact O-CB 3.37Å; G99-C102 PolarHBondContact O-N 2.92Å; N100-C102 VanDerWaalsContact C-N 3.34Å; C102-G104 PolarHBondContact O-N 3.28Å; C102-G105 PolarHBondContact O-N 3.04Å
103R87Confident86.4Confident225 Ų22565.7 Ų65.785%0.84936%0.36SS*.THydrogen-bonded Turntrans-63.4121.4169.2-176.4179.9175.8-175.1-1.2109.9R92 G105R92-R103 PolarHBondContact NH1-O 2.69Å; R92-R103 PolarHBondContact NH2-O 2.65Å; R103-G105 VanDerWaalsContact C-N 3.29Å
104G81Confident86.3Confident55 Ų5572.1 Ų72.157%0.56739%0.388SS*.THydrogen-bonded Turntrans78.77.8-175.500000114.3G65 C102G65-G104 WeakPolarHBondContact CA-O 3.38Å; C102-G104 PolarHBondContact O-N 3.28Å
105G83.4Confident86.3Confident15 Ų1577.6 Ų77.616%0.15540%0.403CS..  trans-78.8175.4169.600000112.6G99 C102 R103G99-G105 WeakPolarHBondContact O-CA 3.5Å; C102-G105 PolarHBondContact O-N 3.04Å; R103-G105 VanDerWaalsContact C-N 3.29Å
106R82.3Confident86.3Confident104 Ų10481.4 Ų81.439%0.39241%0.414SS..PPolyproline II helixtrans-78.5154.7178.759.2139.4166.1151.93.2112.2V64 H66 F98 N100V64-R106 VanDerWaalsContact O-CA 3.24Å; V64-R106 WeakPolarHBondContact O-CA 3.32Å; V64-R106 WeakPolarHBondContact O-CB 3.41Å; H66-R106 WeakPolarHBondContact NE2-CD 3.12Å; H66-R106 WeakPolarHBondContact NE2-CG 3.32Å; H66-R106 PolarHBondContact NE2-NE 3.47Å; H66-R106 VanDerWaalsContact NE2-NE 3.12Å; F98-R106 WeakPolarHBondContact O-CG 3.31Å; F98-R106 PolarHBondContact O-N 3.35Å; N100-R106 WeakPolarHBondContact CA-O 3.37Å; N100-R106 WeakPolarHBondContact CB-O 3.3Å
107M84.4Confident86.4Confident97 Ų9781 Ų8148%0.47841%0.408SS..PPolyproline II helixtrans-72.6149.2171.6-168.317462.800111.4T111M107-T111 HydrophobicContact CE-CG2 4.38Å
108F85.3Confident86.8Confident158 Ų15885.9 Ų85.969%0.69343%0.43SS*.SBendtrans-67.3129.1164.4177.2-104.1000110N100N100-F108 HydrophobicContact CB-CB 4.28Å
109A83.2Confident87.4Confident69 Ų6988.6 Ų88.657%0.5744%0.439SS*.SBendtrans5167.7-175.200000113.9T111A109-T111 PolarHBondContact O-N 3.42Å
110P82.5Confident88Confident45 Ų4599.2 Ų99.229%0.29248%0.475SS..PPolyproline II helixtrans-57140-178.225.4-33.9000111.5S112P110-S112 PolarHBondContact O-N 3.35Å
111T85.1Confident88.3Confident41 Ų4195 Ų9525%0.25245%0.453SS..PPolyproline II helixtrans-62.5124-177.951.60000110.3Y50 A51 V52 M107 A109Y50-T111 HydrophobicContact CE2-CG2 4.23Å; A51-T111 VanDerWaalsContact CA-O 3.32Å; A51-T111 WeakPolarHBondContact CA-O 3.43Å; A51-T111 WeakPolarHBondContact CA-OG1 3.45Å; A51-T111 VanDerWaalsContact CB-O 3.24Å; A51-T111 WeakPolarHBondContact CB-O 3.39Å; V52-T111 PolarHBondContact N-O 3Å; V52-T111 PolarHBondContact N-OG1 3.37Å; V52-T111 VanDerWaalsContact N-OG1 3.11Å; M107-T111 HydrophobicContact CE-CG2 4.38Å; A109-T111 PolarHBondContact O-N 3.42Å
112S82.2Confident88.5Confident31 Ų3192 Ų9222%0.21744%0.444CS..PPolyproline II helixtrans-99.7143.9-180179.50000111.5K54 P110 M114 R115K54-S112 PolarHBondContact NZ-OG 3.29Å; P110-S112 PolarHBondContact O-N 3.35Å; S112-M114 PolarHBondContact O-N 3.29Å; S112-M114 WeakPolarHBondContact OG-CB 3.3Å; S112-M114 PolarHBondContact OG-N 3.18Å; S112-M114 VanDerWaalsContact OG-N 3.17Å; S112-R115 WeakPolarHBondContact O-CB 3.38Å; S112-R115 PolarHBondContact O-N 3.3Å
113V87.7Confident88.8Confident78 Ų7894.2 Ų94.247%0.47346%0.457SS..THydrogen-bonded Turntrans-57.3-32.4169.1-176.60000110.9P49 A51 R115 W117P49-V113 HydrophobicContact CB-CG1 4.2Å; A51-V113 HydrophobicContact CB-CB 4.47Å; A51-V113 HydrophobicContact CB-CG2 3.43Å; A51-V113 VanDerWaalsContact CB-CG2 3.43Å; V113-R115 PolarHBondContact O-N 3.14Å; V113-R115 VanDerWaalsContact O-N 3.1Å; V113-W117 PolarHBondContact O-NE1 3.49Å
114M88.5Confident89.2Confident164 Ų16487.4 Ų87.481%0.80844%0.437SS*.THydrogen-bonded Turntrans-70.3-2.1-178.5-56.5-173.2-73.100114.3S112 R116S112-M114 PolarHBondContact O-N 3.29Å; S112-M114 WeakPolarHBondContact OG-CB 3.3Å; S112-M114 PolarHBondContact OG-N 3.18Å; S112-M114 VanDerWaalsContact OG-N 3.17Å; M114-R116 PolarHBondContact O-N 3.32Å
115R89.7Confident89.8Confident132 Ų13288.7 Ų88.750%0.49843%0.429SS..SBendtrans-56.8134.7174.2179.4178.2-178.5164.56.9109.8S112 V113 W117S112-R115 WeakPolarHBondContact O-CB 3.38Å; S112-R115 PolarHBondContact O-N 3.3Å; V113-R115 PolarHBondContact O-N 3.14Å; V113-R115 VanDerWaalsContact O-N 3.1Å; R115-W117 HydrophobicContact CB-CZ2 4.02Å; R115-W117 HydrophobicContact CG-CZ2 4.29Å; R115-W117 PolarHBondContact O-N 3.29Å; R115-W117 PolarHBondContact O-NE1 3.03Å
116R94Very high90.4Very high162 Ų16293 Ų9361%0.61144%0.44SS*.  trans-69.996.4176-173.3178179.9-176.66.2111.8M114 H118M114-R116 PolarHBondContact O-N 3.32Å; R116-H118 WeakPolarHBondContact CG-O 3.06Å
117W94.1Very high91.1Very high15 Ų1590.4 Ų90.46%0.05743%0.43CS..  trans-81.3-45.6177.4-5797.6000112.7R47 Y50 V113 R115R47-W117 HydrophobicContact CB-CE3 4.19Å; Y50-W117 AromaticContact CD1-CH2 3.5Å; Y50-W117 HydrophobicContact CD1-CH2 3.5Å; Y50-W117 VanDerWaalsContact CD1-CH2 3.5Å; Y50-W117 HydrophobicContact CD1-CZ2 4.21Å; Y50-W117 AromaticContact CD1-CZ3 3.99Å; Y50-W117 HydrophobicContact CD1-CZ3 3.99Å; Y50-W117 HydrophobicContact CD2-CH2 4.38Å; Y50-W117 AromaticContact CE1-CH2 3.17Å; Y50-W117 HydrophobicContact CE1-CH2 3.17Å; Y50-W117 HydrophobicContact CE1-CZ2 4.27Å; Y50-W117 AromaticContact CE1-CZ3 3.45Å; Y50-W117 HydrophobicContact CE1-CZ3 3.45Å; Y50-W117 VanDerWaalsContact CE1-CZ3 3.45Å; Y50-W117 HydrophobicContact CE2-CH2 4.1Å; Y50-W117 HydrophobicContact CG-CH2 4.1Å; Y50-W117 AromaticContact CZ-CH2 3.5Å; Y50-W117 VanDerWaalsContact CZ-CH2 3.5Å; V113-W117 PolarHBondContact O-NE1 3.49Å; R115-W117 HydrophobicContact CB-CZ2 4.02Å; R115-W117 HydrophobicContact CG-CZ2 4.29Å; R115-W117 PolarHBondContact O-N 3.29Å; R115-W117 PolarHBondContact O-NE1 3.03Å
118H96Very high91.6Very high102 Ų10287.4 Ų87.447%0.47241%0.414SS..  trans-88.3147.9-174.8-57.8-89000111.6N45 R116N45-H118 WeakPolarHBondContact CA-ND1 3.15Å; N45-H118 PolarHBondContact O-CE1 3.46Å; N45-H118 PolarHBondContact O-ND1 3.11Å; N45-H118 VanDerWaalsContact OD1-CA 3.27Å; N45-H118 WeakPolarHBondContact OD1-CA 3.25Å; R116-H118 WeakPolarHBondContact CG-O 3.06Å
119R95.5Very high92.2Very high108 Ų10879.9 Ų79.941%0.40838%0.381SS..  trans-134.3127.6179.5-64.3-67.1-177.9161.91108.8V41 L44 N45V41-R119 HydrophobicContact CG1-CB 3.25Å; V41-R119 HydrophobicContact CG1-CG 4.21Å; L44-R119 HydrophobicContact CD1-CG 4.01Å; N45-R119 PolarHBondContact ND2-O 3.31Å; N45-R119 PolarHBondContact OD1-N 3.05Å; N45-R119 PolarHBondContact OD1-O 3.48Å
120R96.5Very high92.9Very high236 Ų23677.3 Ų77.389%0.89136%0.357SS*.  trans-76.3135.1173.5-172.5177.4179.9-174.30.9108.5
121V95.3Very high93.5Very high20 Ų2075.1 Ų75.112%0.12134%0.343CS..  trans-110.7141.6172.3-176.80000107.7V38 V41 M42 V123 Q125 R126V38-V121 HydrophobicContact CG1-CG1 4.16Å; V38-V121 HydrophobicContact CG2-CG1 4.02Å; V41-V121 HydrophobicContact CB-CG2 3.69Å; V41-V121 HydrophobicContact CG1-CG2 3.3Å; M42-V121 HydrophobicContact CG-CG2 4.45Å; V121-V123 PolarHBondContact O-N 2.96Å; V121-Q125 HydrophobicContact CG1-CB 4.3Å; V121-R126 HydrophobicContact CG1-CB 4.17Å
122S95.7Very high94Very high60 Ų6073.2 Ų73.242%0.4233%0.332SS..  trans-56.9133.8171172.30000110.4N124 Q125 R126S122-N124 PolarHBondContact O-N 3.29Å; S122-Q125 PolarHBondContact O-N 3.47Å; S122-R126 PolarHBondContact O-N 3.2Å
123V95.2Very high94.7Very high61 Ų6171.7 Ų71.737%0.3732%0.321SS..Hα-helixtrans-58.7-39.6-178177.40000110.6V121 R126 R127V121-V123 PolarHBondContact O-N 2.96Å; V123-R126 PolarHBondContact O-N 3.44Å; V123-R127 HydrophobicContact CG1-CG 4.38Å; V123-R127 WeakPolarHBondContact O-CB 3.29Å; V123-R127 VanDerWaalsContact O-CG 3.28Å; V123-R127 WeakPolarHBondContact O-CG 3.06Å; V123-R127 PolarHBondContact O-N 3.1Å
124N94.8Very high95.1Very high83 Ų8368 Ų6844%0.44430%0.299SS..Hα-helixtrans-68-43.7179.5-73.3-6000112.2S122 R126 R127 Y128 W283S122-N124 PolarHBondContact O-N 3.29Å; N124-R126 VanDerWaalsContact C-N 3.31Å; N124-R126 PolarHBondContact O-N 2.97Å; N124-R127 PolarHBondContact O-N 3.33Å; N124-Y128 WeakPolarHBondContact O-CB 3.35Å; N124-Y128 PolarHBondContact O-N 2.97Å; N124-W283 HydrophobicContact CB-CZ3 3.99Å; N124-W283 WeakPolarHBondContact O-CZ3 3.46Å
125Q95.3Very high95.4Very high82 Ų8260.2 Ų60.238%0.38326%0.261SS..Hα-helixtrans-60.8-43173.9-70.6178.4-15.100111.1L34 V38 V121 S122 R127 Y128 A129L34-Q125 WeakPolarHBondContact CD2-O 3.4Å; V38-Q125 HydrophobicContact CG2-CB 4.23Å; V121-Q125 HydrophobicContact CG1-CB 4.3Å; S122-Q125 PolarHBondContact O-N 3.47Å; Q125-R127 PolarHBondContact O-N 3.35Å; Q125-Y128 PolarHBondContact O-N 3.14Å; Q125-A129 WeakPolarHBondContact O-CB 3.49Å; Q125-A129 PolarHBondContact O-N 3.06Å
126R96.1Very high95.7Very high106 Ų10654 Ų5440%0.424%0.237SC..Hα-helixtrans-62.8-44177.9-174.5177.164.9-176.30.4112.1V38 M42 V121 S122 V123 N124 A129 I130V38-R126 HydrophobicContact CG1-CB 4.39Å; V38-R126 HydrophobicContact CG1-CG 4.34Å; M42-R126 HydrophobicContact SD-CG 3.97Å; V121-R126 HydrophobicContact CG1-CB 4.17Å; S122-R126 PolarHBondContact O-N 3.2Å; V123-R126 PolarHBondContact O-N 3.44Å; N124-R126 VanDerWaalsContact C-N 3.31Å; N124-R126 PolarHBondContact O-N 2.97Å; R126-A129 PolarHBondContact O-N 3.25Å; R126-I130 HydrophobicContact CG-CD1 4.23Å; R126-I130 VanDerWaalsContact O-CG1 3.32Å; R126-I130 WeakPolarHBondContact O-CG1 3.14Å; R126-I130 PolarHBondContact O-N 3.14Å; R126-I130 VanDerWaalsContact O-N 3.12Å
127R95.9Very high95.8Very high48 Ų4846.3 Ų46.318%0.18121%0.208CC..Hα-helixtrans-63.8-44.1177.5-73.2171.3177.3172.6-3.8111.1V123 N124 Q125 A129 I130 C131 K280 K281 W283V123-R127 HydrophobicContact CG1-CG 4.38Å; V123-R127 WeakPolarHBondContact O-CB 3.29Å; V123-R127 VanDerWaalsContact O-CG 3.28Å; V123-R127 WeakPolarHBondContact O-CG 3.06Å; V123-R127 PolarHBondContact O-N 3.1Å; N124-R127 PolarHBondContact O-N 3.33Å; Q125-R127 PolarHBondContact O-N 3.35Å; R127-A129 PolarHBondContact O-N 3.07Å; R127-I130 PolarHBondContact O-N 3.31Å; R127-C131 PolarHBondContact O-N 2.95Å; R127-C131 PolarHBondContact O-SG 2.9Å; R127-K280 HydrophobicContact CG-CD 4.33Å; R127-K281 PolarHBondContact NH1-O 3.3Å; R127-W283 HydrophobicContact CB-CD2 3.93Å; R127-W283 HydrophobicContact CB-CE3 3.72Å; R127-W283 HydrophobicContact CB-CH2 3.4Å; R127-W283 HydrophobicContact CB-CZ2 3.58Å; R127-W283 HydrophobicContact CB-CZ3 3.47Å; R127-W283 VanDerWaalsContact CB-CZ3 3.47Å; R127-W283 VanDerWaalsContact CD-CE3 3.48Å; R127-W283 HydrophobicContact CG-CD2 4.37Å; R127-W283 HydrophobicContact CG-CE3 4.25Å; R127-W283 HydrophobicContact CG-CZ3 4.43Å
128Y96Very high95.8Very high35 Ų3546.4 Ų46.414%0.13721%0.214CC..Hα-helixtrans-56.8-51.4174-164-38.8000110.2V28 P29 R31 L34 N124 Q125 I130 C131 A132 W283 P286V28-Y128 HydrophobicContact CG1-CE1 4.34Å; P29-Y128 HydrophobicContact CG-CE1 4.38Å; P29-Y128 WeakPolarHBondContact CG-OH 3.27Å; R31-Y128 HydrophobicContact CB-CE1 4.07Å; R31-Y128 WeakPolarHBondContact CD-OH 3.39Å; R31-Y128 HydrophobicContact CG-CE1 3.9Å; L34-Y128 HydrophobicContact CD1-CD1 4.3Å; L34-Y128 HydrophobicContact CD1-CD2 4.04Å; L34-Y128 HydrophobicContact CD1-CG 3.92Å; L34-Y128 HydrophobicContact CD2-CD1 4.31Å; L34-Y128 HydrophobicContact CD2-CG 4.29Å; N124-Y128 WeakPolarHBondContact O-CB 3.35Å; N124-Y128 PolarHBondContact O-N 2.97Å; Q125-Y128 PolarHBondContact O-N 3.14Å; Y128-I130 PolarHBondContact O-N 2.96Å; Y128-C131 WeakPolarHBondContact O-CB 3.38Å; Y128-C131 PolarHBondContact O-N 3.23Å; Y128-A132 HydrophobicContact CD1-CB 4.3Å; Y128-A132 HydrophobicContact CE1-CB 4.44Å; Y128-A132 PolarHBondContact O-N 3.34Å; Y128-W283 VanDerWaalsContact N-CH2 3.27Å; Y128-P286 HydrophobicContact CD1-CG 3.98Å; Y128-P286 HydrophobicContact CD2-CB 3.61Å; Y128-P286 HydrophobicContact CD2-CG 3.88Å; Y128-P286 HydrophobicContact CE1-CB 4.14Å; Y128-P286 HydrophobicContact CE1-CG 3.75Å; Y128-P286 HydrophobicContact CE2-CB 3.15Å; Y128-P286 HydrophobicContact CE2-CG 3.68Å; Y128-P286 HydrophobicContact CG-CB 4.27Å; Y128-P286 HydrophobicContact CG-CG 4.02Å; Y128-P286 VanDerWaalsContact CZ-CB 3.43Å
129A97.5Very high95.6Very high0 Ų043.4 Ų43.40%020%0.203CC..Hα-helixtrans-54.1-42.3-179.600000111.8L34 V35 V38 Q125 R126 R127 A133 L243L34-A129 HydrophobicContact CD2-CB 3.43Å; L34-A129 VanDerWaalsContact CD2-CB 3.43Å; L34-A129 VanDerWaalsContact CD2-N 3.31Å; V35-A129 HydrophobicContact CG2-CB 4.28Å; V35-A129 WeakPolarHBondContact CG2-O 3.44Å; V38-A129 HydrophobicContact CB-CB 3.85Å; V38-A129 HydrophobicContact CG1-CB 3.94Å; V38-A129 HydrophobicContact CG2-CB 3.99Å; Q125-A129 WeakPolarHBondContact O-CB 3.49Å; Q125-A129 PolarHBondContact O-N 3.06Å; R126-A129 PolarHBondContact O-N 3.25Å; R127-A129 PolarHBondContact O-N 3.07Å; A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.46Å; A129-A133 PolarHBondContact O-N 2.86Å; A129-L243 HydrophobicContact CB-CD1 4.01Å; A129-L243 HydrophobicContact CB-CD2 3.7Å; A129-L243 HydrophobicContact CB-CG 4.48Å; A129-L243 WeakPolarHBondContact O-CD1 3.26Å
130I96.7Very high95.5Very high14 Ų1440.9 Ų40.97%0.07220%0.2CC..Hα-helixtrans-67-45.3177.9-65165.5000110.7R126 R127 Y128 A132 A133 I134 M241 L243 L246 Y270R126-I130 HydrophobicContact CG-CD1 4.23Å; R126-I130 VanDerWaalsContact O-CG1 3.32Å; R126-I130 WeakPolarHBondContact O-CG1 3.14Å; R126-I130 PolarHBondContact O-N 3.14Å; R126-I130 VanDerWaalsContact O-N 3.12Å; R127-I130 PolarHBondContact O-N 3.31Å; Y128-I130 PolarHBondContact O-N 2.96Å; I130-A132 PolarHBondContact O-N 3.24Å; I130-A133 PolarHBondContact O-N 2.99Å; I130-I134 HydrophobicContact CG2-CD1 3.87Å; I130-I134 HydrophobicContact CG2-CG1 4.41Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 3.14Å; I130-M241 HydrophobicContact CG2-CB 3.85Å; I130-L243 HydrophobicContact CG1-CB 4.04Å; I130-L243 HydrophobicContact CG1-CD1 4.39Å; I130-L246 HydrophobicContact CG2-CD1 3.84Å; I130-Y270 HydrophobicContact CG2-CE1 4.38Å; I130-Y270 WeakPolarHBondContact CG2-OH 3.07Å
131C95.7Very high95.4Very high0 Ų034 Ų340%019%0.186CC..Hα-helixtrans-58.6-47.8176-62.90000112.1V25 V28 R127 Y128 A133 I134 A135 Y270V25-C131 HydrophobicContact CG1-CB 4.12Å; V28-C131 HydrophobicContact CB-CB 4.38Å; V28-C131 HydrophobicContact CG1-CB 3.93Å; V28-C131 HydrophobicContact CG2-CB 4.16Å; R127-C131 PolarHBondContact O-N 2.95Å; R127-C131 PolarHBondContact O-SG 2.9Å; Y128-C131 WeakPolarHBondContact O-CB 3.38Å; Y128-C131 PolarHBondContact O-N 3.23Å; C131-A133 VanDerWaalsContact C-N 3.28Å; C131-A133 PolarHBondContact O-N 3.22Å; C131-I134 PolarHBondContact O-N 2.71Å; C131-A135 WeakPolarHBondContact O-CB 3.46Å; C131-A135 PolarHBondContact O-N 3Å; C131-Y270 WeakPolarHBondContact SG-CD1 3.36Å; C131-Y270 WeakPolarHBondContact SG-CE1 3.37Å
132A96.3Very high95.5Very high0 Ų035.5 Ų35.50%019%0.193CC..Hα-helixtrans-62.4-36.7177.700000111.9V35 Y128 I130 A136V35-A132 HydrophobicContact CG2-CB 4.02Å; Y128-A132 HydrophobicContact CD1-CB 4.3Å; Y128-A132 HydrophobicContact CE1-CB 4.44Å; Y128-A132 PolarHBondContact O-N 3.34Å; I130-A132 PolarHBondContact O-N 3.24Å; A132-A136 PolarHBondContact O-N 3.15Å; A132-A136 VanDerWaalsContact O-N 3.12Å
133A97.1Very high95.5Very high0 Ų032.6 Ų32.60%017%0.173CC..Hα-helixtrans-68.5-38.4175.200000112.4A129 I130 C131 T137 L243 L246 A247A129-A133 VanDerWaalsContact O-CB 3.29Å; A129-A133 WeakPolarHBondContact O-CB 3.46Å; A129-A133 PolarHBondContact O-N 2.86Å; I130-A133 PolarHBondContact O-N 2.99Å; C131-A133 VanDerWaalsContact C-N 3.28Å; C131-A133 PolarHBondContact O-N 3.22Å; A133-T137 WeakPolarHBondContact O-CG2 3.35Å; A133-L243 HydrophobicContact CB-CD1 3.68Å; A133-L246 HydrophobicContact CB-CB 3.93Å; A133-L246 HydrophobicContact CB-CD1 4.26Å; A133-A247 HydrophobicContact CB-CB 4.23Å
134I96Very high95.5Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-64.7-49173.8-68.5166.5000110.1V25 F26 I130 C131 A136 T137 M241 L246 W258 L266 Y270V25-I134 HydrophobicContact CB-CG2 4.46Å; V25-I134 HydrophobicContact CG1-CB 3.88Å; V25-I134 HydrophobicContact CG1-CD1 4.08Å; V25-I134 HydrophobicContact CG1-CG2 3.7Å; F26-I134 HydrophobicContact CE1-CG2 4.09Å; F26-I134 WeakPolarHBondContact CE1-O 3.48Å; F26-I134 HydrophobicContact CE2-CG2 4.1Å; F26-I134 HydrophobicContact CZ-CG2 3.84Å; I130-I134 HydrophobicContact CG2-CD1 3.87Å; I130-I134 HydrophobicContact CG2-CG1 4.41Å; I130-I134 WeakPolarHBondContact O-CG1 3.48Å; I130-I134 PolarHBondContact O-N 3.14Å; C131-I134 PolarHBondContact O-N 2.71Å; I134-A136 PolarHBondContact O-N 3.29Å; I134-T137 WeakPolarHBondContact O-CB 3.45Å; I134-T137 PolarHBondContact O-N 3.13Å; I134-T137 PolarHBondContact O-OG1 3.34Å; I134-M241 HydrophobicContact CD1-CE 4.15Å; I134-M241 HydrophobicContact CG1-CE 4.21Å; I134-L246 HydrophobicContact CD1-CD1 4.46Å; I134-L246 HydrophobicContact CG1-CD1 3.8Å; I134-L246 HydrophobicContact CG1-CD2 4.36Å; I134-W258 HydrophobicContact CG1-CH2 4.39Å; I134-W258 HydrophobicContact CG2-CH2 4.14Å; I134-W258 HydrophobicContact CG2-CZ2 4.02Å; I134-L266 HydrophobicContact CD1-CD2 4.43Å; I134-Y270 HydrophobicContact CD1-CE2 3.93Å
135A94.9Very high95.5Very high1 Ų134.1 Ų34.11%0.00819%0.187CC..Hα-helixtrans-52.2-43.3176.600000112.5F26 V28 L30 C131 T137 G138F26-A135 WeakPolarHBondContact O-CB 3.49Å; V28-A135 HydrophobicContact CB-CB 4.42Å; L30-A135 HydrophobicContact CD2-CB 3.71Å; C131-A135 WeakPolarHBondContact O-CB 3.46Å; C131-A135 PolarHBondContact O-N 3Å; A135-T137 PolarHBondContact O-N 2.83Å; A135-G138 PolarHBondContact O-N 2.81Å
136A95.9Very high95.5Very high0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-63.7-21.8178.100000114.3L30 A132 I134 G138 V139 L142 M252L30-A136 HydrophobicContact CD2-CB 3.91Å; A132-A136 PolarHBondContact O-N 3.15Å; A132-A136 VanDerWaalsContact O-N 3.12Å; I134-A136 PolarHBondContact O-N 3.29Å; A136-G138 VanDerWaalsContact C-N 3.27Å; A136-G138 PolarHBondContact O-N 3.04Å; A136-V139 PolarHBondContact O-N 3.12Å; A136-L142 HydrophobicContact CB-CD1 3.88Å; A136-M252 HydrophobicContact CB-CB 3.6Å; A136-M252 HydrophobicContact CB-CG 3.79Å; A136-M252 HydrophobicContact CB-SD 3.96Å
137T95Very high95.4Very high2 Ų230.1 Ų30.11%0.01218%0.181CC..Hα-helixtrans-71.5-2317868.60000112.8F26 A133 I134 A135 L246 R254 C256F26-T137 WeakPolarHBondContact CE1-OG1 3.38Å; A133-T137 WeakPolarHBondContact O-CG2 3.35Å; I134-T137 WeakPolarHBondContact O-CB 3.45Å; I134-T137 PolarHBondContact O-N 3.13Å; I134-T137 PolarHBondContact O-OG1 3.34Å; A135-T137 PolarHBondContact O-N 2.83Å; T137-L246 HydrophobicContact CG2-CD2 4.48Å; T137-R254 WeakPolarHBondContact CG2-O 3.33Å; T137-C256 HydrophobicContact CG2-CB 4.28Å; T137-C256 WeakPolarHBondContact CG2-SG 3.49Å
138G93.5Very high95.5Very high16 Ų1628.1 Ų28.117%0.16517%0.173CC..THydrogen-bonded Turntrans-89.54.4176.800000114.5A135 A136 P140A135-G138 PolarHBondContact O-N 2.81Å; A136-G138 VanDerWaalsContact C-N 3.27Å; A136-G138 PolarHBondContact O-N 3.04Å; G138-P140 WeakPolarHBondContact O-CD 3.49Å
139V93.1Very high95.4Very high40 Ų4029 Ų2924%0.24218%0.18CC..  trans-112.3101.4-177.2179.70000108.9A136 P141 L142 V143A136-V139 PolarHBondContact O-N 3.12Å; V139-P141 HydrophobicContact CG1-CG 4.47Å; V139-L142 HydrophobicContact CB-CB 4.42Å; V139-L142 HydrophobicContact CB-CD1 3.94Å; V139-L142 HydrophobicContact CB-CG 4.17Å; V139-L142 HydrophobicContact CG1-CB 4.43Å; V139-L142 HydrophobicContact CG1-CD1 3.97Å; V139-L142 HydrophobicContact CG1-CG 3.86Å; V139-L142 HydrophobicContact CG2-CD1 4.46Å; V139-L142 PolarHBondContact O-N 3.36Å; V139-V143 PolarHBondContact O-N 3.07Å
140P93.9Very high95.2Very high55 Ų5529.4 Ų29.436%0.35718%0.182SC..Hα-helixtrans-53-43.1-174.9-22.628.8000114.7G138 L142 V143 F144 I150 L156G138-P140 WeakPolarHBondContact O-CD 3.49Å; P140-L142 PolarHBondContact O-N 3.4Å; P140-V143 PolarHBondContact O-N 3.46Å; P140-F144 WeakPolarHBondContact O-CD2 3.35Å; P140-F144 PolarHBondContact O-N 2.6Å; P140-I150 HydrophobicContact CB-CD1 4.28Å; P140-L156 HydrophobicContact CB-CD1 4.07Å; P140-L156 HydrophobicContact CG-CB 4.32Å; P140-L156 HydrophobicContact CG-CD1 4.09Å
141P94.5Very high95Very high91 Ų9134.1 Ų34.159%0.59121%0.208SC*.Hα-helixtrans-56.6-34.1177.1-28.135.1000114.4V139 A145V139-P141 HydrophobicContact CG1-CG 4.47Å; P141-A145 WeakPolarHBondContact O-CB 3.19Å; P141-A145 PolarHBondContact O-N 3.13Å
142L95.6Very high94.8Very high51 Ų5140.6 Ų40.627%0.26724%0.236SC..Hα-helixtrans-75.1-35.1178.4-64.1177.9000111.9L30 A136 V139 P140 A145 R146 M252L30-L142 HydrophobicContact CD1-CD1 3.68Å; L30-L142 HydrophobicContact CD2-CD1 4.44Å; A136-L142 HydrophobicContact CB-CD1 3.88Å; V139-L142 HydrophobicContact CB-CB 4.42Å; V139-L142 HydrophobicContact CB-CD1 3.94Å; V139-L142 HydrophobicContact CB-CG 4.17Å; V139-L142 HydrophobicContact CG1-CB 4.43Å; V139-L142 HydrophobicContact CG1-CD1 3.97Å; V139-L142 HydrophobicContact CG1-CG 3.86Å; V139-L142 HydrophobicContact CG2-CD1 4.46Å; V139-L142 PolarHBondContact O-N 3.36Å; P140-L142 PolarHBondContact O-N 3.4Å; L142-A145 PolarHBondContact O-N 3.44Å; L142-R146 PolarHBondContact O-N 2.8Å; L142-R146 VanDerWaalsContact O-N 3.08Å; L142-M252 HydrophobicContact CD1-SD 4.48Å
143V96.1Very high94.6Very high0 Ų041.5 Ų41.50%024%0.24CC..Hα-helixtrans-69.5-41.9177.3-178.80000110.9V139 P140 R146 G147 H148 I150 L156 G253 F255V139-V143 PolarHBondContact O-N 3.07Å; P140-V143 PolarHBondContact O-N 3.46Å; V143-R146 PolarHBondContact O-N 2.73Å; V143-G147 PolarHBondContact O-N 3.19Å; V143-H148 HydrophobicContact CG1-CB 3.79Å; V143-H148 PolarHBondContact O-N 3.14Å; V143-I150 HydrophobicContact CB-CD1 3.87Å; V143-I150 HydrophobicContact CG1-CD1 3.81Å; V143-I150 HydrophobicContact CG1-CG2 3.86Å; V143-L156 HydrophobicContact CB-CD1 4.19Å; V143-L156 HydrophobicContact CG1-CD1 4.42Å; V143-L156 HydrophobicContact CG2-CD1 4.06Å; V143-G253 WeakPolarHBondContact CA-O 3.25Å; V143-F255 HydrophobicContact CG1-CB 3.86Å
144F95.4Very high94.2Very high89 Ų8945.2 Ų45.239%0.3926%0.264SS..Hα-helixtrans-60.9-48.4169.2-86.8-62.9000112.3P140 R146 G147 I150 D151P140-F144 WeakPolarHBondContact O-CD2 3.35Å; P140-F144 PolarHBondContact O-N 2.6Å; F144-R146 PolarHBondContact O-N 3.07Å; F144-G147 VanDerWaalsContact O-CA 3.32Å; F144-G147 WeakPolarHBondContact O-CA 3.29Å; F144-G147 PolarHBondContact O-N 3.05Å; F144-I150 HydrophobicContact CD1-CD1 4.46Å; F144-I150 HydrophobicContact CD1-CG1 3.85Å; F144-I150 HydrophobicContact CD2-CD1 3.6Å; F144-I150 HydrophobicContact CD2-CG1 3.74Å; F144-I150 HydrophobicContact CE1-CD1 4.46Å; F144-I150 HydrophobicContact CE1-CG1 3.53Å; F144-I150 HydrophobicContact CE2-CD1 3.6Å; F144-I150 HydrophobicContact CE2-CG1 3.42Å; F144-I150 VanDerWaalsContact CE2-CG1 3.42Å; F144-I150 HydrophobicContact CG-CD1 4.06Å; F144-I150 HydrophobicContact CG-CG1 3.95Å; F144-I150 HydrophobicContact CZ-CB 4.5Å; F144-I150 HydrophobicContact CZ-CD1 4.07Å; F144-I150 HydrophobicContact CZ-CG1 3.33Å; F144-D151 WeakPolarHBondContact CE1-OD1 3.34Å; F144-D151 VanDerWaalsContact CZ-OD1 3.27Å; F144-D151 WeakPolarHBondContact CZ-OD1 3.45Å
145A95.7Very high93.9Very high86 Ų8646 Ų4671%0.71127%0.268SS*.Hα-helixtrans-60.7-29.5-179.900000113P141 L142 G147P141-A145 WeakPolarHBondContact O-CB 3.19Å; P141-A145 PolarHBondContact O-N 3.13Å; L142-A145 PolarHBondContact O-N 3.44Å; A145-G147 PolarHBondContact O-N 3.5Å
146R94.7Very high93.8Very high64 Ų6447.2 Ų47.224%0.24227%0.274CS..Hα-helixtrans-70.9-20.4172.7-168.6176.2176.9-73-29.7112.7L142 V143 F144 H148 P248 G253L142-R146 PolarHBondContact O-N 2.8Å; L142-R146 VanDerWaalsContact O-N 3.08Å; V143-R146 PolarHBondContact O-N 2.73Å; F144-R146 PolarHBondContact O-N 3.07Å; R146-H148 PolarHBondContact NH1-CE1 3.33Å; R146-H148 PolarHBondContact NH1-NE2 2.82Å; R146-P248 VanDerWaalsContact CZ-CG 3.49Å; R146-G253 VanDerWaalsContact CB-O 3.25Å; R146-G253 WeakPolarHBondContact CB-O 3.39Å; R146-G253 WeakPolarHBondContact CD-O 3.25Å
147G94.7Very high93.7Very high41 Ų4147.3 Ų47.342%0.42328%0.275SS..THydrogen-bonded Turntrans95.625.9178.300000114.1V143 F144 A145 K188V143-G147 PolarHBondContact O-N 3.19Å; F144-G147 VanDerWaalsContact O-CA 3.32Å; F144-G147 WeakPolarHBondContact O-CA 3.29Å; F144-G147 PolarHBondContact O-N 3.05Å; A145-G147 PolarHBondContact O-N 3.5Å; G147-K188 PolarHBondContact O-NZ 3.29Å
148H96.6Very high93.7Very high5 Ų547.2 Ų47.22%0.02327%0.274CS..  trans-76.6142.9164-74.7-77.5000110.6V143 R146 I150 D185 K211 R254 F255V143-H148 HydrophobicContact CG1-CB 3.79Å; V143-H148 PolarHBondContact O-N 3.14Å; R146-H148 PolarHBondContact NH1-CE1 3.33Å; R146-H148 PolarHBondContact NH1-NE2 2.82Å; H148-I150 HydrophobicContact CB-CG2 3.92Å; H148-D185 VanDerWaalsContact CA-OD1 3.28Å; H148-D185 WeakPolarHBondContact CA-OD1 3.03Å; H148-D185 IonicContact CE1-OD2 2.69Å; H148-D185 PolarHBondContact CE1-OD2 2.95Å; H148-D185 IonicContact CG-OD1 3.24Å; H148-D185 IonicContact CG-OD2 3.86Å; H148-D185 VanDerWaalsContact ND1-CG 3.26Å; H148-D185 IonicContact ND1-OD1 2.7Å; H148-D185 PolarHBondContact ND1-OD1 3.1Å; H148-D185 IonicContact ND1-OD2 3.01Å; H148-D185 PolarHBondContact ND1-OD2 3.25Å; H148-K211 PolarHBondContact CE1-O 2.93Å; H148-R254 WeakPolarHBondContact NE2-CG 3.36Å; H148-F255 HydrophobicContact CB-CB 4.08Å; H148-F255 PolarHBondContact CD2-N 3.43Å; H148-F255 VanDerWaalsContact CD2-N 3.29Å; H148-F255 PolarHBondContact NE2-N 3.32Å; H148-F255 VanDerWaalsContact NE2-N 3.17Å
149I94.3Very high93.8Very high53 Ų5346.4 Ų46.427%0.27227%0.266SS..  trans-91.3106.9174.3-59.6171.7000105.7E184 D185 K188I149-E184 HydrophobicContact CB-CB 4.49Å; I149-E184 HydrophobicContact CG2-CB 3.9Å; I149-D185 PolarHBondContact N-OD1 3.13Å; I149-D185 VanDerWaalsContact N-OD1 3.07Å; I149-K188 HydrophobicContact CD1-CB 3.9Å; I149-K188 HydrophobicContact CD1-CD 3.97Å; I149-K188 HydrophobicContact CD1-CG 4.25Å; I149-K188 HydrophobicContact CG1-CD 4.17Å
150I93.9Very high93.9Very high9 Ų944.6 Ų44.65%0.04626%0.255CS..  trans-127.318.2-175.963.9168.4000111.9P140 V143 F144 H148 K152 I153 L156 F255P140-I150 HydrophobicContact CB-CD1 4.28Å; V143-I150 HydrophobicContact CB-CD1 3.87Å; V143-I150 HydrophobicContact CG1-CD1 3.81Å; V143-I150 HydrophobicContact CG1-CG2 3.86Å; F144-I150 HydrophobicContact CD1-CD1 4.46Å; F144-I150 HydrophobicContact CD1-CG1 3.85Å; F144-I150 HydrophobicContact CD2-CD1 3.6Å; F144-I150 HydrophobicContact CD2-CG1 3.74Å; F144-I150 HydrophobicContact CE1-CD1 4.46Å; F144-I150 HydrophobicContact CE1-CG1 3.53Å; F144-I150 HydrophobicContact CE2-CD1 3.6Å; F144-I150 HydrophobicContact CE2-CG1 3.42Å; F144-I150 VanDerWaalsContact CE2-CG1 3.42Å; F144-I150 HydrophobicContact CG-CD1 4.06Å; F144-I150 HydrophobicContact CG-CG1 3.95Å; F144-I150 HydrophobicContact CZ-CB 4.5Å; F144-I150 HydrophobicContact CZ-CD1 4.07Å; F144-I150 HydrophobicContact CZ-CG1 3.33Å; H148-I150 HydrophobicContact CB-CG2 3.92Å; I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 2.93Å; I150-I153 HydrophobicContact CB-CB 4.3Å; I150-I153 HydrophobicContact CB-CD1 3.69Å; I150-I153 HydrophobicContact CB-CG1 4.08Å; I150-I153 HydrophobicContact CG2-CD1 3.59Å; I150-I153 WeakPolarHBondContact O-CB 3.37Å; I150-I153 PolarHBondContact O-N 3.35Å; I150-I153 VanDerWaalsContact O-N 3.13Å; I150-L156 HydrophobicContact CD1-CD1 3.53Å; I150-F255 HydrophobicContact CG2-CB 4.35Å; I150-F255 HydrophobicContact CG2-CD2 4.12Å; I150-F255 HydrophobicContact CG2-CG 4.16Å
151D92.1Very high93.9Very high114 Ų11443.3 Ų43.361%0.6125%0.245SC*.THydrogen-bonded Turntrans-59.4-38-172.5-60.1-55.4000113F144F144-D151 WeakPolarHBondContact CE1-OD1 3.34Å; F144-D151 VanDerWaalsContact CZ-OD1 3.27Å; F144-D151 WeakPolarHBondContact CZ-OD1 3.45Å
152K92.2Very high93.9Very high136 Ų13641.4 Ų41.459%0.59123%0.23SC*.THydrogen-bonded Turntrans-94.51.6-178.7-63.1-179.4178.9172.20113.8I150 A181 E184I150-K152 VanDerWaalsContact C-N 3.29Å; I150-K152 PolarHBondContact O-N 2.93Å; K152-A181 HydrophobicContact CB-CB 3.66Å; K152-E184 WeakPolarHBondContact CD-OE1 3.45Å; K152-E184 WeakPolarHBondContact CE-OE1 3.16Å; K152-E184 IonicContact NZ-OE1 3.54Å; K152-E184 PolarHBondContact NZ-OE1 3.2Å
153I92Very high93.8Very high19 Ų1945.4 Ų45.410%0.09725%0.245CC..  trans-81.4125.3-176.3-58.9-170.7000108.4I150 E155 L156 M158 F255I150-I153 HydrophobicContact CB-CB 4.3Å; I150-I153 HydrophobicContact CB-CD1 3.69Å; I150-I153 HydrophobicContact CB-CG1 4.08Å; I150-I153 HydrophobicContact CG2-CD1 3.59Å; I150-I153 WeakPolarHBondContact O-CB 3.37Å; I150-I153 PolarHBondContact O-N 3.35Å; I150-I153 VanDerWaalsContact O-N 3.13Å; I153-E155 PolarHBondContact O-N 3.36Å; I153-L156 HydrophobicContact CG2-CD2 4.45Å; I153-M158 HydrophobicContact CG2-CE 3.42Å; I153-M158 VanDerWaalsContact CG2-CE 3.42Å; I153-F255 HydrophobicContact CD1-CD1 4.34Å; I153-F255 HydrophobicContact CD1-CD2 3.98Å; I153-F255 HydrophobicContact CD1-CE1 3.82Å; I153-F255 HydrophobicContact CD1-CE2 3.42Å; I153-F255 VanDerWaalsContact CD1-CE2 3.42Å; I153-F255 HydrophobicContact CD1-CG 4.44Å; I153-F255 HydrophobicContact CD1-CZ 3.34Å; I153-F255 HydrophobicContact CG2-CE2 4.28Å
154P88.1Confident93.6Very high77 Ų7745.6 Ų45.650%0.525%0.246SC..  trans-67.9-37.8-169.526.7-36.6000112.9Y9 M158Y9-P154 HydrophobicContact CD1-CG 4.29Å; Y9-P154 HydrophobicContact CE1-CB 4.03Å; Y9-P154 HydrophobicContact CE1-CG 3.44Å; Y9-P154 VanDerWaalsContact CE1-CG 3.44Å; Y9-P154 HydrophobicContact CE2-CG 4.35Å; Y9-P154 VanDerWaalsContact CZ-CG 3.5Å; Y9-P154 WeakPolarHBondContact OH-CB 3.13Å; Y9-P154 WeakPolarHBondContact OH-CG 3.31Å; P154-M158 HydrophobicContact CG-CE 3.77Å
155E90.9Very high93.5Very high17 Ų1741.7 Ų41.78%0.07923%0.229CC..  trans-153.6163.5175.968.4-179.7-154.100114.4R3 V6 S7 Y9 I153R3-E155 IonicContact CZ-OE2 3.78Å; R3-E155 IonicContact NH1-OE2 3.54Å; R3-E155 PolarHBondContact NH1-OE2 3.09Å; R3-E155 IonicContact NH2-OE2 3.52Å; V6-E155 WeakPolarHBondContact CG1-OE1 3.44Å; S7-E155 WeakPolarHBondContact CA-OE1 3.47Å; S7-E155 WeakPolarHBondContact CB-OE1 3.32Å; S7-E155 PolarHBondContact N-OE1 3.04Å; S7-E155 VanDerWaalsContact O-OE1 3.09Å; Y9-E155 HydrophobicContact CE2-CG 3.61Å; Y9-E155 WeakPolarHBondContact OH-CG 3.49Å; I153-E155 PolarHBondContact O-N 3.36Å
156L92.3Very high93.3Very high26 Ų2639.5 Ų39.514%0.13622%0.215CC..SBendtrans-131.7140.6169-67.9176.3000109.9P140 V143 I150 I153 M158 F255P140-L156 HydrophobicContact CB-CD1 4.07Å; P140-L156 HydrophobicContact CG-CB 4.32Å; P140-L156 HydrophobicContact CG-CD1 4.09Å; V143-L156 HydrophobicContact CB-CD1 4.19Å; V143-L156 HydrophobicContact CG1-CD1 4.42Å; V143-L156 HydrophobicContact CG2-CD1 4.06Å; I150-L156 HydrophobicContact CD1-CD1 3.53Å; I153-L156 HydrophobicContact CG2-CD2 4.45Å; L156-M158 HydrophobicContact CD2-CB 4.41Å; L156-F255 HydrophobicContact CD2-CD2 3.75Å; L156-F255 HydrophobicContact CD2-CE2 3.76Å
157P94Very high93.3Very high2 Ų238.1 Ų38.11%0.01321%0.21CC..SBendcis-65.3137.6-4.4-16.130.4000112.5F26 V159 F263F26-P157 HydrophobicContact CD1-CG 3.72Å; F26-P157 HydrophobicContact CE1-CB 3.94Å; F26-P157 HydrophobicContact CE1-CG 3.25Å; F26-P157 HydrophobicContact CE2-CG 4.17Å; F26-P157 HydrophobicContact CG-CG 4.34Å; F26-P157 HydrophobicContact CZ-CB 3.87Å; F26-P157 HydrophobicContact CZ-CG 3.52Å; P157-V159 PolarHBondContact O-N 2.66Å; P157-F263 HydrophobicContact CB-CE2 3.91Å; P157-F263 HydrophobicContact CB-CZ 4.41Å; P157-F263 HydrophobicContact CG-CE2 4.13Å; P157-F263 HydrophobicContact CG-CZ 4.3Å
158M94.1Very high93.2Very high0 Ų044 Ų440%022%0.224CC..EExtended strand (participates in β ladder)trans-77.8114.4178.7175.756.875.800109.8Y9 I153 P154 L156 V160 L180 F255 I257 W258Y9-M158 HydrophobicContact CD2-SD 3.76Å; Y9-M158 HydrophobicContact CE2-SD 4.22Å; Y9-M158 HydrophobicContact CG-SD 4.19Å; I153-M158 HydrophobicContact CG2-CE 3.42Å; I153-M158 VanDerWaalsContact CG2-CE 3.42Å; P154-M158 HydrophobicContact CG-CE 3.77Å; L156-M158 HydrophobicContact CD2-CB 4.41Å; M158-V160 HydrophobicContact CG-CG2 4.03Å; M158-V160 HydrophobicContact SD-CG2 4.19Å; M158-L180 HydrophobicContact CE-CD1 3.94Å; M158-L180 HydrophobicContact CE-CD2 4.33Å; M158-L180 HydrophobicContact CE-CG 3.95Å; M158-L180 HydrophobicContact CG-CD1 4.5Å; M158-L180 HydrophobicContact CG-CD2 3.79Å; M158-L180 HydrophobicContact CG-CG 4.4Å; M158-L180 HydrophobicContact SD-CD1 3.7Å; M158-L180 HydrophobicContact SD-CD2 4.09Å; M158-L180 HydrophobicContact SD-CG 4.1Å; M158-F255 HydrophobicContact CB-CE2 4.16Å; M158-I257 HydrophobicContact CG-CG1 4.33Å; M158-I257 HydrophobicContact CG-CG2 4.28Å; M158-W258 PolarHBondContact O-N 3.36Å
159V95.5Very high93.2Very high0 Ų050.4 Ų50.40%025%0.252CS..EExtended strand (participates in β ladder)trans-116.4133.2179.7-174.30000109.8V6 V8 Y9 I20 P157 W258 F263V6-V159 HydrophobicContact CG1-CB 4.26Å; V6-V159 HydrophobicContact CG1-CG2 3.68Å; V8-V159 HydrophobicContact CG2-CG1 4.25Å; Y9-V159 WeakPolarHBondContact CD2-O 3.38Å; Y9-V159 PolarHBondContact N-O 2.85Å; I20-V159 HydrophobicContact CD1-CG1 3.97Å; P157-V159 PolarHBondContact O-N 2.66Å; V159-W258 CarbonylContact C-O 3.42Å; V159-W258 WeakPolarHBondContact CA-O 3.25Å; V159-W258 HydrophobicContact CG2-CB 4.28Å; V159-F263 HydrophobicContact CG1-CB 4.09Å; V159-F263 HydrophobicContact CG1-CG 4.31Å; V159-F263 HydrophobicContact CG2-CB 4.27Å; V159-F263 HydrophobicContact CG2-CD1 3.92Å; V159-F263 HydrophobicContact CG2-CD2 3.6Å; V159-F263 HydrophobicContact CG2-CE1 4.05Å; V159-F263 HydrophobicContact CG2-CE2 3.76Å; V159-F263 HydrophobicContact CG2-CG 3.68Å; V159-F263 HydrophobicContact CG2-CZ 3.99Å
160V95Very high93.3Very high1 Ų150 Ų501%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-134.2150.4-171.7-1530000110.3Y9 M158 I164 F176 L180 I257 W258 T259 E260Y9-V160 CarbonylContact O-C 3.57Å; Y9-V160 WeakPolarHBondContact O-CA 3.46Å; Y9-V160 WeakPolarHBondContact O-CG1 3.37Å; M158-V160 HydrophobicContact CG-CG2 4.03Å; M158-V160 HydrophobicContact SD-CG2 4.19Å; V160-I164 HydrophobicContact CB-CD1 3.5Å; V160-I164 HydrophobicContact CG1-CD1 3.09Å; V160-I164 HydrophobicContact CG1-CG1 4.46Å; V160-I164 HydrophobicContact CG2-CD1 4.4Å; V160-F176 HydrophobicContact CB-CZ 4.42Å; V160-F176 HydrophobicContact CG1-CE2 3.72Å; V160-F176 HydrophobicContact CG1-CZ 3.87Å; V160-F176 HydrophobicContact CG2-CZ 4.19Å; V160-L180 HydrophobicContact CG2-CD1 4.42Å; V160-L180 HydrophobicContact CG2-CD2 4.29Å; V160-I257 HydrophobicContact CG2-CG2 3.53Å; V160-W258 PolarHBondContact N-O 3.35Å; V160-T259 CarbonylContact O-C 3.58Å; V160-T259 VanDerWaalsContact O-CA 3.32Å; V160-T259 WeakPolarHBondContact O-CA 3.47Å; V160-E260 PolarHBondContact O-N 3.4Å
161N94.7Very high93.4Very high28 Ų2859.7 Ų59.715%0.1529%0.288CS..  trans-55.4146.4-176.8-161.9-25.8000112.1V8 Y9 D10 K163 I164V8-N161 HydrophobicContact CG1-CB 4.35Å; Y9-N161 PolarHBondContact O-N 3.26Å; D10-N161 PolarHBondContact OD1-ND2 3.41Å; D10-N161 VanDerWaalsContact OD1-ND2 3.1Å; N161-K163 PolarHBondContact O-N 2.76Å; N161-I164 PolarHBondContact O-N 2.7Å
162D94.2Very high93.4Very high52 Ų5257.9 Ų57.928%0.27828%0.276SS..G310 helixtrans-63.9-12.7-178.4-71.8-40.6000113.5I164 E165 T259 E260 S261D162-I164 PolarHBondContact O-N 2.84Å; D162-I164 VanDerWaalsContact O-N 3.09Å; D162-E165 WeakPolarHBondContact O-CB 3.38Å; D162-E165 PolarHBondContact O-N 3.33Å; D162-T259 WeakPolarHBondContact OD1-CB 3.34Å; D162-E260 PolarHBondContact OD1-N 3.04Å; D162-S261 VanDerWaalsContact OD1-CB 3.23Å; D162-S261 WeakPolarHBondContact OD1-CB 3.43Å; D162-S261 PolarHBondContact OD1-N 3.25Å; D162-S261 PolarHBondContact OD1-OG 2.63Å; D162-S261 VanDerWaalsContact OD2-CB 3.26Å; D162-S261 WeakPolarHBondContact OD2-CB 3.21Å; D162-S261 PolarHBondContact OD2-N 3.44Å; D162-S261 VanDerWaalsContact OD2-N 3.16Å
163K92.5Very high93.6Very high134 Ų13451.4 Ų51.458%0.58325%0.248SC*.G310 helixtrans-51-32.4173.4-69.6-178.8179.6174.40113.2N161 E165 G166N161-K163 PolarHBondContact O-N 2.76Å; K163-E165 PolarHBondContact O-N 3.48Å; K163-G166 PolarHBondContact O-N 2.71Å; K163-G166 VanDerWaalsContact O-N 3.14Å
164I92.8Very high93.7Very high4 Ų452.1 Ų52.12%0.02125%0.253CS..G310 helixtrans-63.9-25.7178.8-67.2157.1000112.7V160 N161 D162 G166 Y167 F176 I223 F227V160-I164 HydrophobicContact CB-CD1 3.5Å; V160-I164 HydrophobicContact CG1-CD1 3.09Å; V160-I164 HydrophobicContact CG1-CG1 4.46Å; V160-I164 HydrophobicContact CG2-CD1 4.4Å; N161-I164 PolarHBondContact O-N 2.7Å; D162-I164 PolarHBondContact O-N 2.84Å; D162-I164 VanDerWaalsContact O-N 3.09Å; I164-G166 PolarHBondContact O-N 3.24Å; I164-Y167 HydrophobicContact CG1-CE2 4.45Å; I164-Y167 PolarHBondContact O-N 3.1Å; I164-F176 HydrophobicContact CD1-CD2 4.08Å; I164-F176 HydrophobicContact CD1-CE1 3.89Å; I164-F176 HydrophobicContact CD1-CE2 3.4Å; I164-F176 HydrophobicContact CD1-CZ 3.27Å; I164-F176 HydrophobicContact CG1-CD2 4.35Å; I164-F176 HydrophobicContact CG1-CE1 4.45Å; I164-F176 HydrophobicContact CG1-CE2 4.14Å; I164-F176 HydrophobicContact CG1-CZ 4.18Å; I164-F176 HydrophobicContact CG2-CE1 4.47Å; I164-I223 HydrophobicContact CG2-CD1 3.91Å; I164-I223 HydrophobicContact CG2-CG1 4.4Å; I164-F227 HydrophobicContact CG2-CE2 3.97Å; I164-F227 HydrophobicContact CG2-CZ 4Å
165E92.2Very high94.1Very high8 Ų851.7 Ų51.74%0.03725%0.249CC..G310 helixtrans-62.1-27.4177.7-62.3-164.4167.900111.9D162 K163 N218 Q219 N221 G222 I223 T259 S261D162-E165 WeakPolarHBondContact O-CB 3.38Å; D162-E165 PolarHBondContact O-N 3.33Å; K163-E165 PolarHBondContact O-N 3.48Å; E165-N218 PolarHBondContact OE1-N 2.87Å; E165-Q219 PolarHBondContact OE2-N 2.88Å; E165-Q219 VanDerWaalsContact OE2-N 3.12Å; E165-Q219 VanDerWaalsContact OE2-O 3.11Å; E165-N221 CarbonylContact O-C 3.37Å; E165-N221 VanDerWaalsContact O-C 3.27Å; E165-N221 WeakPolarHBondContact O-CB 3.47Å; E165-G222 PolarHBondContact O-N 3.17Å; E165-I223 PolarHBondContact O-N 3.34Å; E165-T259 HydrophobicContact CG-CG2 3.78Å; E165-T259 WeakPolarHBondContact OE1-CB 3.43Å; E165-T259 PolarHBondContact OE1-OG1 3.41Å; E165-S261 PolarHBondContact OE1-OG 3.41Å
166G93.2Very high94.2Very high40 Ų4051 Ų5141%0.41225%0.246SC..G310 helixtrans-86.9-0.5-179.100000116K163 I164 K168K163-G166 PolarHBondContact O-N 2.71Å; K163-G166 VanDerWaalsContact O-N 3.14Å; I164-G166 PolarHBondContact O-N 3.24Å; G166-K168 PolarHBondContact O-N 2.88Å
167Y93.6Very high94.3Very high34 Ų3449.8 Ų49.813%0.13324%0.239CC..  trans-64.8132.9180-78.37.8000112D11 I164 E172 F176 G222 I223 A226 F227D11-Y167 VanDerWaalsContact CB-OH 3.3Å; D11-Y167 WeakPolarHBondContact CB-OH 3.36Å; D11-Y167 PolarHBondContact OD2-OH 3.42Å; I164-Y167 HydrophobicContact CG1-CE2 4.45Å; I164-Y167 PolarHBondContact O-N 3.1Å; Y167-E172 HydrophobicContact CD2-CB 4.16Å; Y167-E172 HydrophobicContact CE2-CB 4.33Å; Y167-E172 HydrophobicContact CG-CB 4.37Å; Y167-F176 HydrophobicContact CE2-CB 3.71Å; Y167-F176 HydrophobicContact CE2-CG 4.12Å; Y167-G222 CarbonylContact O-C 3.53Å; Y167-G222 VanDerWaalsContact O-O 3.12Å; Y167-I223 PolarHBondContact O-N 3.5Å; Y167-A226 WeakPolarHBondContact O-CB 3.39Å; Y167-F227 HydrophobicContact CD2-CE2 4.14Å; Y167-F227 HydrophobicContact CD2-CZ 4.27Å
168K93.8Very high94.3Very high164 Ų16455.2 Ų55.271%0.71326%0.263SS*.  trans-111.2-34.4-177.8-66.2-179.5-176.5175.10112.3G166 E172G166-K168 PolarHBondContact O-N 2.88Å; K168-E172 PolarHBondContact N-OE2 2.72Å
169K95.8Very high94.3Very high140 Ų14058.7 Ų58.761%0.60928%0.282SS*.  trans-100.9142.8-175.3-62.9179.8-179.3173.50111.6R171 E172 A173K169-R171 PolarHBondContact O-N 2.8Å; K169-E172 HydrophobicContact CB-CG 4.22Å; K169-E172 PolarHBondContact N-OE2 3.49Å; K169-E172 PolarHBondContact O-N 2.78Å; K169-A173 PolarHBondContact O-N 2.94Å
170T96Very high94.2Very high46 Ų4658.9 Ų58.928%0.28228%0.283SS..Hα-helixtrans-64.9-28.8175.4-54.80000112.6E172 A173 V174 A226 I230T170-E172 PolarHBondContact O-N 3.17Å; T170-A173 PolarHBondContact O-N 2.94Å; T170-V174 HydrophobicContact CG2-CG2 4.3Å; T170-V174 WeakPolarHBondContact O-CG2 3.46Å; T170-V174 PolarHBondContact O-N 3.27Å; T170-A226 VanDerWaalsContact CA-O 3.3Å; T170-A226 WeakPolarHBondContact CA-O 3.29Å; T170-A226 WeakPolarHBondContact CB-O 3.4Å; T170-A226 PolarHBondContact OG1-O 3.24Å; T170-I230 HydrophobicContact CG2-CD1 4.19Å; T170-I230 HydrophobicContact CG2-CG1 3.82Å
171R95.5Very high94.1Very high211 Ų21160.2 Ų60.280%0.79629%0.294SS*.Hα-helixtrans-60.2-45.2175.7-174.4177.4177.8178.4-1.5111.7K169 V174 T175K169-R171 PolarHBondContact O-N 2.8Å; R171-V174 PolarHBondContact O-N 3.49Å; R171-T175 PolarHBondContact O-N 3.47Å; R171-T175 PolarHBondContact O-OG1 3.06Å; R171-T175 VanDerWaalsContact O-OG1 3.14Å
172E93.9Very high94Very high77 Ų7758.9 Ų58.936%0.3629%0.287SS..Hα-helixtrans-60-48.1176.4-65.9156.8-167.800110.5Y167 K168 K169 T170 V174 T175 F176Y167-E172 HydrophobicContact CD2-CB 4.16Å; Y167-E172 HydrophobicContact CE2-CB 4.33Å; Y167-E172 HydrophobicContact CG-CB 4.37Å; K168-E172 PolarHBondContact N-OE2 2.72Å; K169-E172 HydrophobicContact CB-CG 4.22Å; K169-E172 PolarHBondContact N-OE2 3.49Å; K169-E172 PolarHBondContact O-N 2.78Å; T170-E172 PolarHBondContact O-N 3.17Å; E172-V174 VanDerWaalsContact C-N 3.33Å; E172-V174 PolarHBondContact O-N 2.7Å; E172-T175 PolarHBondContact O-N 3.45Å; E172-F176 WeakPolarHBondContact O-CB 3.12Å; E172-F176 PolarHBondContact O-N 3.34Å
173A94.6Very high94Very high0 Ų059.5 Ų59.50%029%0.285CS..Hα-helixtrans-58.6-40.1176.700000113.4K169 T170 L177 A226 F227 I230K169-A173 PolarHBondContact O-N 2.94Å; T170-A173 PolarHBondContact O-N 2.94Å; A173-L177 WeakPolarHBondContact O-CD1 3.44Å; A173-L177 VanDerWaalsContact O-CG 3.31Å; A173-L177 WeakPolarHBondContact O-CG 3.46Å; A173-L177 PolarHBondContact O-N 3.29Å; A173-L177 VanDerWaalsContact O-N 3.09Å; A173-A226 HydrophobicContact CB-CB 4.32Å; A173-F227 HydrophobicContact CB-CD1 3.7Å; A173-F227 HydrophobicContact CB-CD2 3.9Å; A173-F227 HydrophobicContact CB-CE1 3.57Å; A173-F227 HydrophobicContact CB-CE2 3.78Å; A173-F227 HydrophobicContact CB-CG 3.87Å; A173-F227 HydrophobicContact CB-CZ 3.62Å; A173-I230 HydrophobicContact CB-CD1 4.12Å
174V95.6Very high94.1Very high34 Ų3455.9 Ų55.921%0.20627%0.27CS..Hα-helixtrans-67-45.6177.1167.20000111.2T170 R171 E172 F176 L177 K178 W183 I230T170-V174 HydrophobicContact CG2-CG2 4.3Å; T170-V174 WeakPolarHBondContact O-CG2 3.46Å; T170-V174 PolarHBondContact O-N 3.27Å; R171-V174 PolarHBondContact O-N 3.49Å; E172-V174 VanDerWaalsContact C-N 3.33Å; E172-V174 PolarHBondContact O-N 2.7Å; V174-F176 VanDerWaalsContact C-N 3.32Å; V174-F176 PolarHBondContact O-N 3.08Å; V174-L177 PolarHBondContact O-N 2.95Å; V174-K178 HydrophobicContact CG1-CD 4.39Å; V174-K178 WeakPolarHBondContact O-CG 3.15Å; V174-K178 PolarHBondContact O-N 3.3Å; V174-K178 VanDerWaalsContact O-N 3.1Å; V174-W183 HydrophobicContact CB-CH2 4.44Å; V174-W183 HydrophobicContact CB-CZ3 4.15Å; V174-W183 HydrophobicContact CG1-CE3 4.34Å; V174-W183 HydrophobicContact CG1-CH2 3.66Å; V174-W183 HydrophobicContact CG1-CZ2 4.43Å; V174-W183 HydrophobicContact CG1-CZ3 3.61Å; V174-W183 HydrophobicContact CG2-CH2 4.07Å; V174-W183 HydrophobicContact CG2-CZ3 3.95Å; V174-I230 HydrophobicContact CG2-CD1 3.84Å; V174-I230 HydrophobicContact CG2-CG1 4.33Å
175T95.2Very high94.2Very high68 Ų6855.7 Ų55.742%0.41727%0.269SS..Hα-helixtrans-58.9-46.3176.8-58.80000110.7R171 E172 L177 K178 N179R171-T175 PolarHBondContact O-N 3.47Å; R171-T175 PolarHBondContact O-OG1 3.06Å; R171-T175 VanDerWaalsContact O-OG1 3.14Å; E172-T175 PolarHBondContact O-N 3.45Å; T175-L177 PolarHBondContact O-N 3.49Å; T175-K178 WeakPolarHBondContact O-CB 3.39Å; T175-K178 PolarHBondContact O-N 2.92Å; T175-N179 PolarHBondContact O-N 3.42Å; T175-N179 PolarHBondContact O-OD1 3.49Å
176F94.4Very high94.4Very high2 Ų255.3 Ų55.31%0.00927%0.267CS..Hα-helixtrans-57.5-47.8176.5163.8-108000113.1V160 I164 Y167 E172 V174 K178 N179 L180 F227V160-F176 HydrophobicContact CB-CZ 4.42Å; V160-F176 HydrophobicContact CG1-CE2 3.72Å; V160-F176 HydrophobicContact CG1-CZ 3.87Å; V160-F176 HydrophobicContact CG2-CZ 4.19Å; I164-F176 HydrophobicContact CD1-CD2 4.08Å; I164-F176 HydrophobicContact CD1-CE1 3.89Å; I164-F176 HydrophobicContact CD1-CE2 3.4Å; I164-F176 HydrophobicContact CD1-CZ 3.27Å; I164-F176 HydrophobicContact CG1-CD2 4.35Å; I164-F176 HydrophobicContact CG1-CE1 4.45Å; I164-F176 HydrophobicContact CG1-CE2 4.14Å; I164-F176 HydrophobicContact CG1-CZ 4.18Å; I164-F176 HydrophobicContact CG2-CE1 4.47Å; Y167-F176 HydrophobicContact CE2-CB 3.71Å; Y167-F176 HydrophobicContact CE2-CG 4.12Å; E172-F176 WeakPolarHBondContact O-CB 3.12Å; E172-F176 PolarHBondContact O-N 3.34Å; V174-F176 VanDerWaalsContact C-N 3.32Å; V174-F176 PolarHBondContact O-N 3.08Å; F176-K178 PolarHBondContact O-N 3.17Å; F176-N179 PolarHBondContact O-N 3.08Å; F176-N179 VanDerWaalsContact O-N 3.15Å; F176-L180 HydrophobicContact CE1-CD2 4.45Å; F176-L180 HydrophobicContact CE2-CB 4.49Å; F176-L180 HydrophobicContact CE2-CD1 4.4Å; F176-L180 HydrophobicContact CE2-CD2 4.41Å; F176-L180 HydrophobicContact CZ-CD2 3.83Å; F176-L180 PolarHBondContact O-N 3.4Å; F176-F227 HydrophobicContact CD1-CE1 4.09Å; F176-F227 AromaticContact CD1-CZ 3.81Å; F176-F227 HydrophobicContact CD1-CZ 3.81Å; F176-F227 HydrophobicContact CE1-CZ 4.26Å
177L94.4Very high94.5Very high0 Ų057 Ų570%026%0.264CS..Hα-helixtrans-66.3-27.6-179.9-71.9161.6000113.1A173 V174 T175 A182 W183 I186 F227 I230 I233 I257A173-L177 WeakPolarHBondContact O-CD1 3.44Å; A173-L177 VanDerWaalsContact O-CG 3.31Å; A173-L177 WeakPolarHBondContact O-CG 3.46Å; A173-L177 PolarHBondContact O-N 3.29Å; A173-L177 VanDerWaalsContact O-N 3.09Å; V174-L177 PolarHBondContact O-N 2.95Å; T175-L177 PolarHBondContact O-N 3.49Å; L177-A182 HydrophobicContact CD2-CB 4.11Å; L177-A182 PolarHBondContact O-N 3.47Å; L177-W183 HydrophobicContact CB-CE3 4.29Å; L177-W183 PolarHBondContact O-N 2.91Å; L177-I186 HydrophobicContact CB-CD1 4.15Å; L177-I186 HydrophobicContact CD1-CD1 3.6Å; L177-I186 HydrophobicContact CD2-CD1 4.14Å; L177-I186 HydrophobicContact CG-CD1 4.18Å; L177-F227 HydrophobicContact CD1-CD1 3.96Å; L177-F227 HydrophobicContact CD1-CE1 3.72Å; L177-F227 HydrophobicContact CD2-CE1 4.4Å; L177-F227 HydrophobicContact CG-CE1 4Å; L177-I230 HydrophobicContact CD1-CD1 3.82Å; L177-I233 HydrophobicContact CD1-CD1 3.48Å; L177-I233 VanDerWaalsContact CD1-CD1 3.48Å; L177-I257 HydrophobicContact CD2-CD1 3.89Å
178K94.3Very high94.5Very high116 Ų11656.6 Ų56.650%0.50426%0.263SS..Hα-helixtrans-71.1-45171-72.3178.8176.5-172.70111.3V174 T175 F176 L180 A181 W183V174-K178 HydrophobicContact CG1-CD 4.39Å; V174-K178 WeakPolarHBondContact O-CG 3.15Å; V174-K178 PolarHBondContact O-N 3.3Å; V174-K178 VanDerWaalsContact O-N 3.1Å; T175-K178 WeakPolarHBondContact O-CB 3.39Å; T175-K178 PolarHBondContact O-N 2.92Å; F176-K178 PolarHBondContact O-N 3.17Å; K178-L180 VanDerWaalsContact C-N 3.3Å; K178-L180 PolarHBondContact O-N 3.03Å; K178-A181 PolarHBondContact O-N 2.59Å; K178-W183 HydrophobicContact CG-CB 3.95Å; K178-W183 HydrophobicContact CG-CD2 3.88Å; K178-W183 HydrophobicContact CG-CE3 4.08Å; K178-W183 HydrophobicContact CG-CG 3.82Å
179N93.8Very high94.6Very high74 Ų7448.9 Ų48.940%0.39623%0.23SC..Hα-helixtrans-61.3-38.5177.6-64.3-12.2000112.1D11 T175 F176 A181D11-N179 PolarHBondContact O-ND2 3.08Å; T175-N179 PolarHBondContact O-N 3.42Å; T175-N179 PolarHBondContact O-OD1 3.49Å; F176-N179 PolarHBondContact O-N 3.08Å; F176-N179 VanDerWaalsContact O-N 3.15Å; N179-A181 PolarHBondContact O-N 2.76Å
180L92.5Very high94.6Very high4 Ų447.9 Ų47.92%0.02122%0.223CC..THydrogen-bonded Turntrans-75.82.7176.1-154.771.6000113.8M158 V160 F176 K178 A182 I257M158-L180 HydrophobicContact CE-CD1 3.94Å; M158-L180 HydrophobicContact CE-CD2 4.33Å; M158-L180 HydrophobicContact CE-CG 3.95Å; M158-L180 HydrophobicContact CG-CD1 4.5Å; M158-L180 HydrophobicContact CG-CD2 3.79Å; M158-L180 HydrophobicContact CG-CG 4.4Å; M158-L180 HydrophobicContact SD-CD1 3.7Å; M158-L180 HydrophobicContact SD-CD2 4.09Å; M158-L180 HydrophobicContact SD-CG 4.1Å; V160-L180 HydrophobicContact CG2-CD1 4.42Å; V160-L180 HydrophobicContact CG2-CD2 4.29Å; F176-L180 HydrophobicContact CE1-CD2 4.45Å; F176-L180 HydrophobicContact CE2-CB 4.49Å; F176-L180 HydrophobicContact CE2-CD1 4.4Å; F176-L180 HydrophobicContact CE2-CD2 4.41Å; F176-L180 HydrophobicContact CZ-CD2 3.83Å; F176-L180 PolarHBondContact O-N 3.4Å; K178-L180 VanDerWaalsContact C-N 3.3Å; K178-L180 PolarHBondContact O-N 3.03Å; L180-A182 PolarHBondContact O-N 3.06Å; L180-A182 VanDerWaalsContact O-N 3.07Å; L180-I257 HydrophobicContact CD2-CD1 3.91Å; L180-I257 HydrophobicContact CD2-CG1 4.3Å; L180-I257 HydrophobicContact CD2-CG2 4.33Å
181A92.3Very high94.6Very high29 Ų2953 Ų5324%0.2424%0.241CC..THydrogen-bonded Turntrans55.819.9-172.900000115.2K152 K178 N179 W183K152-A181 HydrophobicContact CB-CB 3.66Å; K178-A181 PolarHBondContact O-N 2.59Å; N179-A181 PolarHBondContact O-N 2.76Å; A181-W183 VanDerWaalsContact C-N 3.31Å
182A93.4Very high94.5Very high0 Ų043.9 Ų43.90%021%0.21CC..  trans-84.7-4178.800000113.5L177 L180 E184 D185 F255L177-A182 HydrophobicContact CD2-CB 4.11Å; L177-A182 PolarHBondContact O-N 3.47Å; L180-A182 PolarHBondContact O-N 3.06Å; L180-A182 VanDerWaalsContact O-N 3.07Å; A182-E184 VanDerWaalsContact C-N 3.35Å; A182-E184 PolarHBondContact O-N 3.44Å; A182-D185 PolarHBondContact O-N 3.14Å; A182-F255 HydrophobicContact CB-CE1 3.9Å; A182-F255 HydrophobicContact CB-CZ 4.29Å
183W94.6Very high94.6Very high65 Ų6543.5 Ų43.525%0.24621%0.208CC..Hα-helixtrans-64.9-34.2-174.4-169.6-104.9000113.5V174 L177 K178 A181 D185 I186 E187V174-W183 HydrophobicContact CB-CH2 4.44Å; V174-W183 HydrophobicContact CB-CZ3 4.15Å; V174-W183 HydrophobicContact CG1-CE3 4.34Å; V174-W183 HydrophobicContact CG1-CH2 3.66Å; V174-W183 HydrophobicContact CG1-CZ2 4.43Å; V174-W183 HydrophobicContact CG1-CZ3 3.61Å; V174-W183 HydrophobicContact CG2-CH2 4.07Å; V174-W183 HydrophobicContact CG2-CZ3 3.95Å; L177-W183 HydrophobicContact CB-CE3 4.29Å; L177-W183 PolarHBondContact O-N 2.91Å; K178-W183 HydrophobicContact CG-CB 3.95Å; K178-W183 HydrophobicContact CG-CD2 3.88Å; K178-W183 HydrophobicContact CG-CE3 4.08Å; K178-W183 HydrophobicContact CG-CG 3.82Å; A181-W183 VanDerWaalsContact C-N 3.31Å; W183-D185 VanDerWaalsContact C-N 3.3Å; W183-D185 PolarHBondContact O-N 3.05Å; W183-I186 HydrophobicContact CE3-CD1 4.2Å; W183-I186 HydrophobicContact CZ3-CG2 4.42Å; W183-I186 CarbonylContact O-C 3.27Å; W183-I186 WeakPolarHBondContact O-CA 3.37Å; W183-I186 WeakPolarHBondContact O-CB 3.48Å; W183-I186 PolarHBondContact O-N 3.09Å; W183-E187 PolarHBondContact O-N 3.37Å
184E94.3Very high94.6Very high57 Ų5751.1 Ų51.127%0.26624%0.237SC..Hα-helixtrans-62.1-37.8-180-63.8-176.9171.400112.1I149 K152 A182 I186 E187 K188I149-E184 HydrophobicContact CB-CB 4.49Å; I149-E184 HydrophobicContact CG2-CB 3.9Å; K152-E184 WeakPolarHBondContact CD-OE1 3.45Å; K152-E184 WeakPolarHBondContact CE-OE1 3.16Å; K152-E184 IonicContact NZ-OE1 3.54Å; K152-E184 PolarHBondContact NZ-OE1 3.2Å; A182-E184 VanDerWaalsContact C-N 3.35Å; A182-E184 PolarHBondContact O-N 3.44Å; E184-I186 PolarHBondContact O-N 3.48Å; E184-E187 PolarHBondContact O-N 3.27Å; E184-K188 PolarHBondContact O-N 3.22Å
185D95.1Very high94.6Very high0 Ų057 Ų570%026%0.26CS..Hα-helixtrans-64-33175.4-165.356.7000112.2H148 I149 A182 W183 K188 G212 P213H148-D185 VanDerWaalsContact CA-OD1 3.28Å; H148-D185 WeakPolarHBondContact CA-OD1 3.03Å; H148-D185 IonicContact CE1-OD2 2.69Å; H148-D185 PolarHBondContact CE1-OD2 2.95Å; H148-D185 IonicContact CG-OD1 3.24Å; H148-D185 IonicContact CG-OD2 3.86Å; H148-D185 VanDerWaalsContact ND1-CG 3.26Å; H148-D185 IonicContact ND1-OD1 2.7Å; H148-D185 PolarHBondContact ND1-OD1 3.1Å; H148-D185 IonicContact ND1-OD2 3.01Å; H148-D185 PolarHBondContact ND1-OD2 3.25Å; I149-D185 PolarHBondContact N-OD1 3.13Å; I149-D185 VanDerWaalsContact N-OD1 3.07Å; A182-D185 PolarHBondContact O-N 3.14Å; W183-D185 VanDerWaalsContact C-N 3.3Å; W183-D185 PolarHBondContact O-N 3.05Å; D185-K188 IonicContact OD1-NZ 2.65Å; D185-K188 PolarHBondContact OD1-NZ 3.31Å; D185-G212 WeakPolarHBondContact OD2-CA 3.48Å; D185-P213 WeakPolarHBondContact OD2-CD 3.26Å
186I95.5Very high94.6Very high0 Ų058.1 Ų58.10%026%0.256CS..Hα-helixtrans-78.5-40.9177.8-63.2166.4000110.6L177 W183 E184 K188 V189 Y190 P213 I230 I233L177-I186 HydrophobicContact CB-CD1 4.15Å; L177-I186 HydrophobicContact CD1-CD1 3.6Å; L177-I186 HydrophobicContact CD2-CD1 4.14Å; L177-I186 HydrophobicContact CG-CD1 4.18Å; W183-I186 HydrophobicContact CE3-CD1 4.2Å; W183-I186 HydrophobicContact CZ3-CG2 4.42Å; W183-I186 CarbonylContact O-C 3.27Å; W183-I186 WeakPolarHBondContact O-CA 3.37Å; W183-I186 WeakPolarHBondContact O-CB 3.48Å; W183-I186 PolarHBondContact O-N 3.09Å; E184-I186 PolarHBondContact O-N 3.48Å; I186-K188 PolarHBondContact O-N 3.42Å; I186-V189 WeakPolarHBondContact O-CA 3.37Å; I186-V189 VanDerWaalsContact O-CB 3.24Å; I186-V189 WeakPolarHBondContact O-CB 3.28Å; I186-V189 PolarHBondContact O-N 3.16Å; I186-Y190 HydrophobicContact CG2-CD2 3.95Å; I186-Y190 HydrophobicContact CG2-CE2 3.71Å; I186-Y190 WeakPolarHBondContact O-CD2 3.28Å; I186-Y190 PolarHBondContact O-N 3.4Å; I186-P213 HydrophobicContact CD1-CG 4.31Å; I186-P213 HydrophobicContact CG1-CG 4Å; I186-I230 HydrophobicContact CD1-CG2 4.41Å; I186-I230 HydrophobicContact CG2-CG2 3.76Å; I186-I233 HydrophobicContact CD1-CD1 3.87Å; I186-I233 HydrophobicContact CD1-CG1 4.35Å; I186-I233 HydrophobicContact CG1-CG1 4.49Å
187E94.9Very high94.7Very high76 Ų7662.5 Ų62.536%0.35529%0.293SS..Hα-helixtrans-58.4-40.3175.6-163.8-167.7178.900110.9W183 E184 V189 Y190 K191W183-E187 PolarHBondContact O-N 3.37Å; E184-E187 PolarHBondContact O-N 3.27Å; E187-V189 PolarHBondContact O-N 3.06Å; E187-Y190 WeakPolarHBondContact O-CB 3.45Å; E187-Y190 PolarHBondContact O-N 3.22Å; E187-Y190 VanDerWaalsContact O-N 3.14Å; E187-K191 HydrophobicContact CG-CD 4.41Å; E187-K191 WeakPolarHBondContact O-CG 3.23Å; E187-K191 PolarHBondContact O-N 3.27Å; E187-K191 WeakPolarHBondContact OE1-CE 3.48Å; E187-K191 IonicContact OE1-NZ 2.7Å; E187-K191 PolarHBondContact OE1-NZ 3.06Å; E187-K191 IonicContact OE2-NZ 2.69Å
188K95.2Very high94.8Very high26 Ų2665 Ų6511%0.11332%0.319CS..Hα-helixtrans-57-34.9169.7179.2-161.973.4-166.50112.5G147 I149 E184 D185 I186 S192 K210G147-K188 PolarHBondContact O-NZ 3.29Å; I149-K188 HydrophobicContact CD1-CB 3.9Å; I149-K188 HydrophobicContact CD1-CD 3.97Å; I149-K188 HydrophobicContact CD1-CG 4.25Å; I149-K188 HydrophobicContact CG1-CD 4.17Å; E184-K188 PolarHBondContact O-N 3.22Å; D185-K188 IonicContact OD1-NZ 2.65Å; D185-K188 PolarHBondContact OD1-NZ 3.31Å; I186-K188 PolarHBondContact O-N 3.42Å; K188-S192 WeakPolarHBondContact O-CB 3.16Å; K188-S192 PolarHBondContact O-N 3.19Å; K188-S192 VanDerWaalsContact O-N 3.13Å; K188-S192 PolarHBondContact O-OG 2.64Å; K188-K210 HydrophobicContact CD-CD 4.05Å; K188-K210 HydrophobicContact CG-CD 3.93Å
189V96Very high94.9Very high1 Ų167 Ų671%0.00633%0.328CS..Hα-helixtrans-67.4-47.7174.9-179.50000110.6I186 E187 S192 R209 K210 P231I186-V189 WeakPolarHBondContact O-CA 3.37Å; I186-V189 VanDerWaalsContact O-CB 3.24Å; I186-V189 WeakPolarHBondContact O-CB 3.28Å; I186-V189 PolarHBondContact O-N 3.16Å; E187-V189 PolarHBondContact O-N 3.06Å; V189-S192 PolarHBondContact O-N 3.17Å; V189-S192 VanDerWaalsContact O-N 3.12Å; V189-S192 PolarHBondContact O-OG 3.04Å; V189-R209 HydrophobicContact CG1-CB 4.22Å; V189-K210 HydrophobicContact CG2-CB 4.39Å; V189-P231 HydrophobicContact CG1-CB 4.14Å
190Y95Very high94.9Very high119 Ų11964.2 Ų64.247%0.46732%0.317SS..Hα-helixtrans-55-52.6176-80.5-82000111.3I186 E187 S192 E193 P231I186-Y190 HydrophobicContact CG2-CD2 3.95Å; I186-Y190 HydrophobicContact CG2-CE2 3.71Å; I186-Y190 WeakPolarHBondContact O-CD2 3.28Å; I186-Y190 PolarHBondContact O-N 3.4Å; E187-Y190 WeakPolarHBondContact O-CB 3.45Å; E187-Y190 PolarHBondContact O-N 3.22Å; E187-Y190 VanDerWaalsContact O-N 3.14Å; Y190-S192 PolarHBondContact O-N 2.86Å; Y190-S192 VanDerWaalsContact O-N 3.14Å; Y190-E193 PolarHBondContact O-N 2.84Å; Y190-P231 HydrophobicContact CD1-CG 3.76Å; Y190-P231 HydrophobicContact CD2-CG 3.79Å; Y190-P231 HydrophobicContact CE1-CG 3.41Å; Y190-P231 VanDerWaalsContact CE1-CG 3.41Å; Y190-P231 HydrophobicContact CE2-CG 3.44Å; Y190-P231 VanDerWaalsContact CE2-CG 3.44Å; Y190-P231 HydrophobicContact CG-CG 3.94Å; Y190-P231 WeakPolarHBondContact OH-CD 3Å
191K95.4Very high95Very high153 Ų15368.9 Ų68.967%0.66534%0.337SS*.Hα-helixtrans-62.3-22.4178.5-67.8175.6-178.7167.60113.6E187E187-K191 HydrophobicContact CG-CD 4.41Å; E187-K191 WeakPolarHBondContact O-CG 3.23Å; E187-K191 PolarHBondContact O-N 3.27Å; E187-K191 WeakPolarHBondContact OE1-CE 3.48Å; E187-K191 IonicContact OE1-NZ 2.7Å; E187-K191 PolarHBondContact OE1-NZ 3.06Å; E187-K191 IonicContact OE2-NZ 2.69Å
192S94.8Very high95.2Very high21 Ų2175.2 Ų75.215%0.14736%0.364CS..THydrogen-bonded Turntrans-87.5-6.2-175.574.30000115.3K188 V189 Y190 R194 K210K188-S192 WeakPolarHBondContact O-CB 3.16Å; K188-S192 PolarHBondContact O-N 3.19Å; K188-S192 VanDerWaalsContact O-N 3.13Å; K188-S192 PolarHBondContact O-OG 2.64Å; V189-S192 PolarHBondContact O-N 3.17Å; V189-S192 VanDerWaalsContact O-N 3.12Å; V189-S192 PolarHBondContact O-OG 3.04Å; Y190-S192 PolarHBondContact O-N 2.86Å; Y190-S192 VanDerWaalsContact O-N 3.14Å; S192-R194 PolarHBondContact O-N 3.17Å; S192-K210 WeakPolarHBondContact OG-CB 3.41Å; S192-K210 PolarHBondContact OG-N 3.47Å
193E94.4Very high95.3Very high68 Ų6883 Ų8332%0.31839%0.393SS..  trans-66.2118.7-178.3176.9155.6-148.200111.3Y190 F207 R209Y190-E193 PolarHBondContact O-N 2.84Å; E193-F207 HydrophobicContact CG-CB 4.33Å; E193-F207 HydrophobicContact CG-CD1 3.92Å; E193-F207 HydrophobicContact CG-CG 4.35Å; E193-F207 VanDerWaalsContact OE1-CB 3.29Å; E193-F207 WeakPolarHBondContact OE1-CB 3.32Å; E193-F207 VanDerWaalsContact OE1-CD1 3.25Å; E193-F207 WeakPolarHBondContact OE1-CD1 3.07Å; E193-F207 WeakPolarHBondContact OE1-CG 3.44Å; E193-R209 HydrophobicContact CB-CG 4.01Å; E193-R209 VanDerWaalsContact CD-CZ 3.47Å; E193-R209 HydrophobicContact CG-CG 4.11Å; E193-R209 IonicContact OE1-CZ 3.11Å; E193-R209 IonicContact OE1-NE 2.97Å; E193-R209 PolarHBondContact OE1-NE 3.27Å; E193-R209 IonicContact OE1-NH2 2.9Å; E193-R209 PolarHBondContact OE1-NH2 3.38Å; E193-R209 IonicContact OE2-CZ 2.64Å; E193-R209 IonicContact OE2-NE 3.47Å; E193-R209 PolarHBondContact OE2-NE 2.7Å; E193-R209 IonicContact OE2-NH2 3.53Å; E193-R209 PolarHBondContact OE2-NH2 2.7Å
194R95.3Very high95.4Very high161 Ų16187.8 Ų87.861%0.60842%0.423SS*.EExtended strand (participates in β ladder)trans-138.1152.817557.7179.7171171.1-4.5112.1S192 R196 F207 K208S192-R194 PolarHBondContact O-N 3.17Å; R194-R196 PolarHBondContact O-N 2.87Å; R194-F207 WeakPolarHBondContact O-CA 3.28Å; R194-K208 PolarHBondContact N-O 2.91Å; R194-K208 VanDerWaalsContact N-O 3.14Å; R194-K208 PolarHBondContact O-N 2.82Å
195K95.6Very high95.4Very high157 Ų15791.5 Ų91.568%0.68344%0.435SS*.EExtended strand (participates in β ladder)trans-59.3132.3169.6-68.4178.7-177.3172.50109A197 K201 R206 F207K195-A197 PolarHBondContact O-N 2.81Å; K195-K201 HydrophobicContact CB-CD 4.48Å; K195-R206 CarbonylContact C-O 3.48Å; K195-R206 WeakPolarHBondContact CA-O 3.43Å; K195-F207 HydrophobicContact CG-CE1 4.34Å
196R96.4Very high95.4Very high91 Ų9198.9 Ų98.934%0.34346%0.463SS..PPolyproline II helixtrans-67.5132.4-179.1-174.9169.4-62.2-167.46.8110.1R194 K201 R205 R206 F207R194-R196 PolarHBondContact O-N 2.87Å; R196-K201 HydrophobicContact CB-CG 4.37Å; R196-K201 WeakPolarHBondContact O-CD 3.33Å; R196-K201 WeakPolarHBondContact O-CE 3.37Å; R196-K201 WeakPolarHBondContact O-CG 3.1Å; R196-R205 WeakPolarHBondContact CB-O 3.42Å; R196-R205 WeakPolarHBondContact CD-O 3.32Å; R196-R205 PolarHBondContact NE-O 2.91Å; R196-R205 VanDerWaalsContact NE-O 3.17Å; R196-R206 PolarHBondContact N-O 3.2Å; R196-F207 PolarHBondContact NH2-O 3.07Å
197A96.2Very high95.4Very high95 Ų95103.4 Ų103.479%0.78548%0.483SS*.SBendtrans-65.5145.3172.900000111.5K195K195-A197 PolarHBondContact O-N 2.81Å
198G95.9Very high95.4Very high53 Ų53105 Ų10555%0.54649%0.489SS..G310 helixtrans77.1-165.4175.700000116.1G200G198-G200 PolarHBondContact O-N 2.84Å
199K95.4Very high95.4Very high156 Ų156109.7 Ų109.768%0.67851%0.506SS*.G310 helixtrans-67.6-4.4-173.9-60.8-173.9179.4-175.90114.7K201 M202K199-K201 PolarHBondContact O-N 3.35Å; K199-M202 PolarHBondContact O-N 3.24Å
200G94.5Very high95.3Very high17 Ų17115.2 Ų115.218%0.17553%0.529CS..G310 helixtrans-62.5-26.8177.500000113.4G198 M202 R203 R205G198-G200 PolarHBondContact O-N 2.84Å; G200-M202 VanDerWaalsContact C-N 3.31Å; G200-M202 PolarHBondContact O-N 3.2Å; G200-R203 PolarHBondContact O-N 2.9Å; G200-R203 VanDerWaalsContact O-N 3.11Å; G200-R205 WeakPolarHBondContact O-CB 3.41Å; G200-R205 PolarHBondContact O-N 3.48Å
201K95.8Very high95.4Very high102 Ų102113.6 Ų113.644%0.44353%0.525SS..G310 helixtrans-59.4-39.7176.9-65.4-179.1-74.6177.60112.6K195 R196 K199 R203K195-K201 HydrophobicContact CB-CD 4.48Å; R196-K201 HydrophobicContact CB-CG 4.37Å; R196-K201 WeakPolarHBondContact O-CD 3.33Å; R196-K201 WeakPolarHBondContact O-CE 3.37Å; R196-K201 WeakPolarHBondContact O-CG 3.1Å; K199-K201 PolarHBondContact O-N 3.35Å; K201-R203 PolarHBondContact O-N 3.19Å
202M96.6Very high95.3Very high162 Ų162106.3 Ų106.380%0.79849%0.493SS*.G310 helixtrans-70.3-14.5178.3-61.8166.4-17700113.1K199 G200K199-M202 PolarHBondContact O-N 3.24Å; G200-M202 VanDerWaalsContact C-N 3.31Å; G200-M202 PolarHBondContact O-N 3.2Å
203R95.3Very high95.4Very high164 Ų164105.3 Ų105.362%0.61949%0.486SS*.G310 helixtrans-107.135.8-173.9-55.9-175.9-175.1-174.61.5112.5G200 K201 R205G200-R203 PolarHBondContact O-N 2.9Å; G200-R203 VanDerWaalsContact O-N 3.11Å; K201-R203 PolarHBondContact O-N 3.19Å; R203-R205 WeakPolarHBondContact O-CG 3.43Å; R203-R205 PolarHBondContact O-N 3.18Å; R203-R205 VanDerWaalsContact O-N 3.16Å
204N95.7Very high95.5Very high164 Ų164102 Ų10288%0.87747%0.471SS*.THydrogen-bonded Turntrans55.132-177.7-62-20.9000114.3
205R95.5Very high95.6Very high136 Ų13694.5 Ų94.551%0.51344%0.443SS..  trans-125.344.6177.5-61.5163.9-167.3158.75.1110.7R196 G200 R203 F207R196-R205 WeakPolarHBondContact CB-O 3.42Å; R196-R205 WeakPolarHBondContact CD-O 3.32Å; R196-R205 PolarHBondContact NE-O 2.91Å; R196-R205 VanDerWaalsContact NE-O 3.17Å; G200-R205 WeakPolarHBondContact O-CB 3.41Å; G200-R205 PolarHBondContact O-N 3.48Å; R203-R205 WeakPolarHBondContact O-CG 3.43Å; R203-R205 PolarHBondContact O-N 3.18Å; R203-R205 VanDerWaalsContact O-N 3.16Å; R205-F207 PolarHBondContact O-N 3.42Å
206R95Very high95.6Very high154 Ų15487 Ų8758%0.58141%0.41SS*.  trans-58.9-42.5-170.1-173.4177-72.5-163.6-0.9112.7K195 R196K195-R206 CarbonylContact C-O 3.48Å; K195-R206 WeakPolarHBondContact CA-O 3.43Å; R196-R206 PolarHBondContact N-O 3.2Å
207F95.4Very high95.7Very high95 Ų9582.8 Ų82.842%0.41739%0.394SS..EExtended strand (participates in β ladder)trans-105.6149.7-175.6-58-73.3000112.9E193 R194 K195 R196 R205E193-F207 HydrophobicContact CG-CB 4.33Å; E193-F207 HydrophobicContact CG-CD1 3.92Å; E193-F207 HydrophobicContact CG-CG 4.35Å; E193-F207 VanDerWaalsContact OE1-CB 3.29Å; E193-F207 WeakPolarHBondContact OE1-CB 3.32Å; E193-F207 VanDerWaalsContact OE1-CD1 3.25Å; E193-F207 WeakPolarHBondContact OE1-CD1 3.07Å; E193-F207 WeakPolarHBondContact OE1-CG 3.44Å; R194-F207 WeakPolarHBondContact O-CA 3.28Å; K195-F207 HydrophobicContact CG-CE1 4.34Å; R196-F207 PolarHBondContact NH2-O 3.07Å; R205-F207 PolarHBondContact O-N 3.42Å
208K95Very high95.6Very high111 Ų11179.4 Ų79.448%0.48336%0.363SS..EExtended strand (participates in β ladder)trans-122.1123167.8-177.2-179.6178.6-177.80107R194R194-K208 PolarHBondContact N-O 2.91Å; R194-K208 VanDerWaalsContact N-O 3.14Å; R194-K208 PolarHBondContact O-N 2.82Å
209R94.2Very high95.6Very high123 Ų12382.1 Ų82.146%0.46436%0.362SS..  trans-124152.5177.7-54.8-177.7-173.4178.3-8.8109.3V189 E193V189-R209 HydrophobicContact CG1-CB 4.22Å; E193-R209 HydrophobicContact CB-CG 4.01Å; E193-R209 VanDerWaalsContact CD-CZ 3.47Å; E193-R209 HydrophobicContact CG-CG 4.11Å; E193-R209 IonicContact OE1-CZ 3.11Å; E193-R209 IonicContact OE1-NE 2.97Å; E193-R209 PolarHBondContact OE1-NE 3.27Å; E193-R209 IonicContact OE1-NH2 2.9Å; E193-R209 PolarHBondContact OE1-NH2 3.38Å; E193-R209 IonicContact OE2-CZ 2.64Å; E193-R209 IonicContact OE2-NE 3.47Å; E193-R209 PolarHBondContact OE2-NE 2.7Å; E193-R209 IonicContact OE2-NH2 3.53Å; E193-R209 PolarHBondContact OE2-NH2 2.7Å
210K95.3Very high95.4Very high117 Ų11778 Ų7851%0.50935%0.347SS..  trans-67.6166.2169.7-71.9177-179.1179.70110.4K188 V189 S192K188-K210 HydrophobicContact CD-CD 4.05Å; K188-K210 HydrophobicContact CG-CD 3.93Å; V189-K210 HydrophobicContact CG2-CB 4.39Å; S192-K210 WeakPolarHBondContact OG-CB 3.41Å; S192-K210 PolarHBondContact OG-N 3.47Å
211K95.2Very high95.3Very high85 Ų8581.8 Ų81.837%0.3736%0.363SS..  trans-96.7128.8173.6-66.2-66.5-178.3-179.10108.3H148 E234 P248H148-K211 PolarHBondContact CE1-O 2.93Å; K211-E234 IonicContact NZ-OE1 2.6Å; K211-E234 PolarHBondContact NZ-OE1 3.34Å; K211-P248 HydrophobicContact CG-CB 4.46Å; K211-P248 HydrophobicContact CG-CG 4.48Å
212G94.6Very high95.2Very high0 Ų077.5 Ų77.50%035%0.348CS..  trans-96.6-155.217600000111.8D185 G232 R254D185-G212 WeakPolarHBondContact OD2-CA 3.48Å; G212-G232 WeakPolarHBondContact CA-O 3.4Å; G212-G232 PolarHBondContact N-O 3.3Å; G212-R254 PolarHBondContact O-NE 3.28Å; G212-R254 PolarHBondContact O-NH2 3.24Å
213P95.9Very high95Very high0 Ų069.8 Ų69.80%031%0.31CS..  trans-56.2148.9-178.6-20.929.8000112.6D185 I186 I233 E234 F255 I257D185-P213 WeakPolarHBondContact OD2-CD 3.26Å; I186-P213 HydrophobicContact CD1-CG 4.31Å; I186-P213 HydrophobicContact CG1-CG 4Å; P213-I233 WeakPolarHBondContact O-CA 2.83Å; P213-E234 PolarHBondContact O-N 3.42Å; P213-F255 WeakPolarHBondContact CA-O 3.25Å; P213-F255 HydrophobicContact CB-CD1 3.69Å; P213-F255 HydrophobicContact CB-CE1 3.84Å; P213-F255 HydrophobicContact CG-CD1 3.73Å; P213-F255 HydrophobicContact CG-CE1 3.83Å; P213-I257 HydrophobicContact CB-CD1 4.15Å
214L97Very high95Very high0 Ų067 Ų670%030%0.299CS..EExtended strand (participates in β ladder)trans-109.6115.2171-179.167.9000108.9I216 E234 L236 K245 L246 R254 F255 C256 I257L214-I216 HydrophobicContact CD2-CD1 4.3Å; L214-I216 HydrophobicContact CD2-CG1 4.39Å; L214-I216 HydrophobicContact CG-CG1 4.16Å; L214-E234 WeakPolarHBondContact CA-O 3.25Å; L214-E234 HydrophobicContact CD1-CB 3.71Å; L214-L236 HydrophobicContact CD1-CD1 4.24Å; L214-L236 HydrophobicContact CD1-CG 4.1Å; L214-L236 HydrophobicContact CD2-CD1 3.8Å; L214-L236 HydrophobicContact CG-CD1 4.39Å; L214-K245 HydrophobicContact CD1-CB 4.15Å; L214-K245 HydrophobicContact CD1-CD 4.44Å; L214-L246 HydrophobicContact CD2-CD2 3.77Å; L214-L246 HydrophobicContact CD2-CG 4.33Å; L214-R254 HydrophobicContact CB-CG 4.45Å; L214-F255 PolarHBondContact N-O 3.49Å; L214-C256 HydrophobicContact CB-CB 4.49Å; L214-C256 CarbonylContact O-C 3.04Å; L214-C256 WeakPolarHBondContact O-CA 3.23Å; L214-I257 PolarHBondContact O-N 2.84Å
215I96.4Very high94.9Very high3 Ų368.1 Ų68.12%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-90.6125.8178.1-59.3176.3000108.6I223 F227 I233 E234 F235 L236 I257I215-I223 HydrophobicContact CG2-CD1 3.71Å; I215-F227 HydrophobicContact CD1-CB 4.36Å; I215-F227 HydrophobicContact CD1-CD1 3.32Å; I215-F227 HydrophobicContact CD1-CD2 4.28Å; I215-F227 HydrophobicContact CD1-CE1 3.49Å; I215-F227 VanDerWaalsContact CD1-CE1 3.49Å; I215-F227 HydrophobicContact CD1-CE2 4.43Å; I215-F227 HydrophobicContact CD1-CG 3.76Å; I215-F227 HydrophobicContact CD1-CZ 4.06Å; I215-I233 HydrophobicContact CD1-CG2 3.75Å; I215-I233 HydrophobicContact CG1-CG2 4.06Å; I215-E234 PolarHBondContact N-O 3.28Å; I215-F235 HydrophobicContact CB-CD1 4.21Å; I215-F235 HydrophobicContact CD1-CE1 4.28Å; I215-F235 CarbonylContact O-C 3.55Å; I215-F235 WeakPolarHBondContact O-CA 3.44Å; I215-L236 PolarHBondContact O-N 3.24Å; I215-I257 CarbonylContact C-O 3.59Å; I215-I257 WeakPolarHBondContact CA-O 3.4Å; I215-I257 HydrophobicContact CG1-CB 4.46Å
216I97.3Very high94.9Very high0 Ų061.7 Ų61.70%027%0.267CS..EExtended strand (participates in β ladder)trans-118.2119.5-177.9-56.1163.3000108.2L214 L236 V238 M241 L246 C256 I257 W258 T259 A262L214-I216 HydrophobicContact CD2-CD1 4.3Å; L214-I216 HydrophobicContact CD2-CG1 4.39Å; L214-I216 HydrophobicContact CG-CG1 4.16Å; I216-L236 VanDerWaalsContact CA-O 3.32Å; I216-L236 WeakPolarHBondContact CA-O 3.13Å; I216-L236 HydrophobicContact CG1-CB 4.21Å; I216-V238 HydrophobicContact CG2-CG2 3.72Å; I216-M241 HydrophobicContact CD1-CE 3.95Å; I216-M241 HydrophobicContact CG1-CE 4.49Å; I216-M241 HydrophobicContact CG2-CE 4.43Å; I216-M241 HydrophobicContact CG2-SD 4.08Å; I216-L246 HydrophobicContact CD1-CD2 4.36Å; I216-C256 HydrophobicContact CD1-CB 3.91Å; I216-I257 PolarHBondContact N-O 3.4Å; I216-W258 HydrophobicContact CB-CD2 4.09Å; I216-W258 HydrophobicContact CB-CE3 3.67Å; I216-W258 HydrophobicContact CB-CZ3 3.94Å; I216-W258 HydrophobicContact CD1-CD2 3.8Å; I216-W258 HydrophobicContact CD1-CE3 3.86Å; I216-W258 HydrophobicContact CD1-CH2 3.43Å; I216-W258 VanDerWaalsContact CD1-CH2 3.43Å; I216-W258 HydrophobicContact CD1-CZ2 3.33Å; I216-W258 HydrophobicContact CD1-CZ3 3.69Å; I216-W258 HydrophobicContact CG1-CE3 4.38Å; I216-W258 HydrophobicContact CG1-CZ3 4.39Å; I216-W258 HydrophobicContact CG2-CD2 4.37Å; I216-W258 HydrophobicContact CG2-CE3 3.48Å; I216-W258 VanDerWaalsContact CG2-CE3 3.48Å; I216-W258 HydrophobicContact CG2-CH2 4.18Å; I216-W258 HydrophobicContact CG2-CZ3 3.36Å; I216-T259 PolarHBondContact O-N 2.9Å; I216-A262 HydrophobicContact CG2-CB 4.49Å; I216-A262 WeakPolarHBondContact O-CB 3.46Å
217Y96.8Very high94.9Very high1 Ų154.3 Ų54.30%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-133.7160.1-169.970-89.3000110.7Q219 D220 I223 R224 F235 L236 Q237 V238 T259Y217-Q219 VanDerWaalsContact CD2-C 3.5Å; Y217-Q219 WeakPolarHBondContact CD2-O 3.44Å; Y217-D220 HydrophobicContact CE2-CB 3.75Å; Y217-I223 HydrophobicContact CD1-CG2 4.13Å; Y217-I223 HydrophobicContact CD2-CG2 4.1Å; Y217-I223 HydrophobicContact CE1-CG2 4.42Å; Y217-I223 HydrophobicContact CE2-CG2 4.38Å; Y217-I223 HydrophobicContact CG-CD1 4.42Å; Y217-I223 HydrophobicContact CG-CG2 3.97Å; Y217-R224 HydrophobicContact CE1-CG 4.38Å; Y217-R224 PolarHBondContact OH-NE 3.39Å; Y217-R224 PolarHBondContact OH-NH2 3.28Å; Y217-F235 HydrophobicContact CE1-CB 3.93Å; Y217-L236 VanDerWaalsContact CD1-O 3.28Å; Y217-L236 WeakPolarHBondContact CD1-O 3.36Å; Y217-L236 WeakPolarHBondContact CE1-O 3.15Å; Y217-L236 PolarHBondContact N-O 3.12Å; Y217-Q237 HydrophobicContact CE2-CB 4.37Å; Y217-Q237 HydrophobicContact CE2-CG 4.35Å; Y217-Q237 WeakPolarHBondContact O-CA 3.3Å; Y217-V238 WeakPolarHBondContact O-CG2 3.31Å; Y217-V238 PolarHBondContact O-N 3.31Å; Y217-T259 WeakPolarHBondContact CA-OG1 3.48Å
218N95.9Very high94.8Very high24 Ų2458.7 Ų58.713%0.12825%0.253CS..SBendtrans-89.7-55.9179.9-174.327000111.1E165 Q237 S261 K265E165-N218 PolarHBondContact OE1-N 2.87Å; N218-Q237 PolarHBondContact O-NE2 3.22Å; N218-S261 VanDerWaalsContact CB-OG 3.25Å; N218-S261 WeakPolarHBondContact CB-OG 2.98Å; N218-K265 VanDerWaalsContact OD1-CD 3.3Å; N218-K265 WeakPolarHBondContact OD1-CD 3.46Å; N218-K265 PolarHBondContact OD1-NZ 2.61Å
219Q94.1Very high94.8Very high111 Ų11159.5 Ų59.552%0.51926%0.263SS..SBendtrans-118.3144.6-179-64.3-177.4-9.300112.1E165 Y217 N221E165-Q219 PolarHBondContact OE2-N 2.88Å; E165-Q219 VanDerWaalsContact OE2-N 3.12Å; E165-Q219 VanDerWaalsContact OE2-O 3.11Å; Y217-Q219 VanDerWaalsContact CD2-C 3.5Å; Y217-Q219 WeakPolarHBondContact CD2-O 3.44Å; Q219-N221 PolarHBondContact O-N 3.1Å
220D92.6Very high94.9Very high70 Ų7053.9 Ų53.937%0.37424%0.242SC..  trans-96.783.2-178.4-169.39.9000110.4Y217 G222 R224Y217-D220 HydrophobicContact CE2-CB 3.75Å; D220-G222 VanDerWaalsContact C-N 3.32Å; D220-R224 PolarHBondContact OD1-N 3.14Å; D220-R224 WeakPolarHBondContact OD2-CD 3.28Å; D220-R224 WeakPolarHBondContact OD2-CG 3.28Å; D220-R224 IonicContact OD2-CZ 2.78Å; D220-R224 IonicContact OD2-NE 3.61Å; D220-R224 IonicContact OD2-NH1 3.94Å
221N92.6Very high94.8Very high95 Ų9548.9 Ų48.951%0.50822%0.221SC..SBendtrans-93.115.5-179.9-66.4-22.5000113.4E165 Q219E165-N221 CarbonylContact O-C 3.37Å; E165-N221 VanDerWaalsContact O-C 3.27Å; E165-N221 WeakPolarHBondContact O-CB 3.47Å; Q219-N221 PolarHBondContact O-N 3.1Å
222G92.1Very high94.7Very high12 Ų1245.8 Ų45.812%0.12421%0.213CC..SBendtrans133.8-20-176.600000113.6E165 Y167 D220 R224 R225 A226E165-G222 PolarHBondContact O-N 3.17Å; Y167-G222 CarbonylContact O-C 3.53Å; Y167-G222 VanDerWaalsContact O-O 3.12Å; D220-G222 VanDerWaalsContact C-N 3.32Å; G222-R224 VanDerWaalsContact C-N 3.28Å; G222-R224 PolarHBondContact O-N 2.91Å; G222-R224 VanDerWaalsContact O-N 3.13Å; G222-R225 WeakPolarHBondContact O-CA 3.45Å; G222-R225 WeakPolarHBondContact O-CB 3.44Å; G222-R225 PolarHBondContact O-N 2.83Å; G222-A226 PolarHBondContact O-N 3.02Å
223I93.4Very high94.8Very high0 Ų046.3 Ų46.30%022%0.216CC..Hα-helixtrans-49.8-42.6-176.8-162.9174.1000113.5I164 E165 Y167 I215 Y217 R225 A226 F227I164-I223 HydrophobicContact CG2-CD1 3.91Å; I164-I223 HydrophobicContact CG2-CG1 4.4Å; E165-I223 PolarHBondContact O-N 3.34Å; Y167-I223 PolarHBondContact O-N 3.5Å; I215-I223 HydrophobicContact CG2-CD1 3.71Å; Y217-I223 HydrophobicContact CD1-CG2 4.13Å; Y217-I223 HydrophobicContact CD2-CG2 4.1Å; Y217-I223 HydrophobicContact CE1-CG2 4.42Å; Y217-I223 HydrophobicContact CE2-CG2 4.38Å; Y217-I223 HydrophobicContact CG-CD1 4.42Å; Y217-I223 HydrophobicContact CG-CG2 3.97Å; I223-R225 VanDerWaalsContact C-N 3.31Å; I223-R225 PolarHBondContact O-N 3.38Å; I223-A226 PolarHBondContact O-N 3.42Å; I223-F227 HydrophobicContact CG1-CD2 3.7Å; I223-F227 HydrophobicContact CG1-CE2 3.77Å; I223-F227 VanDerWaalsContact O-CD2 3.31Å; I223-F227 WeakPolarHBondContact O-CD2 3.45Å; I223-F227 PolarHBondContact O-N 3.37Å; I223-F227 VanDerWaalsContact O-N 3.13Å
224R94.5Very high94.8Very high107 Ų10748.1 Ų48.140%0.40422%0.224SC..Hα-helixtrans-62.8-38.7177.5-74.1-165.6-176.8158.20.1112.3Y217 D220 G222 R228 F235Y217-R224 HydrophobicContact CE1-CG 4.38Å; Y217-R224 PolarHBondContact OH-NE 3.39Å; Y217-R224 PolarHBondContact OH-NH2 3.28Å; D220-R224 PolarHBondContact OD1-N 3.14Å; D220-R224 WeakPolarHBondContact OD2-CD 3.28Å; D220-R224 WeakPolarHBondContact OD2-CG 3.28Å; D220-R224 IonicContact OD2-CZ 2.78Å; D220-R224 IonicContact OD2-NE 3.61Å; D220-R224 IonicContact OD2-NH1 3.94Å; G222-R224 VanDerWaalsContact C-N 3.28Å; G222-R224 PolarHBondContact O-N 2.91Å; G222-R224 VanDerWaalsContact O-N 3.13Å; R224-R228 WeakPolarHBondContact O-CB 3.34Å; R224-R228 WeakPolarHBondContact O-CG 3.19Å; R224-R228 PolarHBondContact O-N 3.3Å; R224-R228 VanDerWaalsContact O-N 3.1Å; R224-F235 HydrophobicContact CG-CB 4.42Å; R224-F235 HydrophobicContact CG-CD2 4.46Å; R224-F235 HydrophobicContact CG-CG 4.31Å
225R94.3Very high94.7Very high187 Ų18749.3 Ų49.371%0.70623%0.229SC*.Hα-helixtrans-70.8-41.4-179.2-64.8-177.5-179-175.80.8111G222 I223G222-R225 WeakPolarHBondContact O-CA 3.45Å; G222-R225 WeakPolarHBondContact O-CB 3.44Å; G222-R225 PolarHBondContact O-N 2.83Å; I223-R225 VanDerWaalsContact C-N 3.31Å; I223-R225 PolarHBondContact O-N 3.38Å
226A94.8Very high94.7Very high0 Ų049.5 Ų49.50%023%0.231CC..Hα-helixtrans-63.3-46.5179.400000112.3Y167 T170 A173 G222 I223Y167-A226 WeakPolarHBondContact O-CB 3.39Å; T170-A226 VanDerWaalsContact CA-O 3.3Å; T170-A226 WeakPolarHBondContact CA-O 3.29Å; T170-A226 WeakPolarHBondContact CB-O 3.4Å; T170-A226 PolarHBondContact OG1-O 3.24Å; A173-A226 HydrophobicContact CB-CB 4.32Å; G222-A226 PolarHBondContact O-N 3.02Å; I223-A226 PolarHBondContact O-N 3.42Å
227F95.5Very high94.6Very high0 Ų051.4 Ų51.40%024%0.24CC..Hα-helixtrans-93.6-19.2-170.8-72.2-96.9000115I164 Y167 A173 F176 L177 I215 I223 N229 I230 I233 F235I164-F227 HydrophobicContact CG2-CE2 3.97Å; I164-F227 HydrophobicContact CG2-CZ 4Å; Y167-F227 HydrophobicContact CD2-CE2 4.14Å; Y167-F227 HydrophobicContact CD2-CZ 4.27Å; A173-F227 HydrophobicContact CB-CD1 3.7Å; A173-F227 HydrophobicContact CB-CD2 3.9Å; A173-F227 HydrophobicContact CB-CE1 3.57Å; A173-F227 HydrophobicContact CB-CE2 3.78Å; A173-F227 HydrophobicContact CB-CG 3.87Å; A173-F227 HydrophobicContact CB-CZ 3.62Å; F176-F227 HydrophobicContact CD1-CE1 4.09Å; F176-F227 AromaticContact CD1-CZ 3.81Å; F176-F227 HydrophobicContact CD1-CZ 3.81Å; F176-F227 HydrophobicContact CE1-CZ 4.26Å; L177-F227 HydrophobicContact CD1-CD1 3.96Å; L177-F227 HydrophobicContact CD1-CE1 3.72Å; L177-F227 HydrophobicContact CD2-CE1 4.4Å; L177-F227 HydrophobicContact CG-CE1 4Å; I215-F227 HydrophobicContact CD1-CB 4.36Å; I215-F227 HydrophobicContact CD1-CD1 3.32Å; I215-F227 HydrophobicContact CD1-CD2 4.28Å; I215-F227 HydrophobicContact CD1-CE1 3.49Å; I215-F227 VanDerWaalsContact CD1-CE1 3.49Å; I215-F227 HydrophobicContact CD1-CE2 4.43Å; I215-F227 HydrophobicContact CD1-CG 3.76Å; I215-F227 HydrophobicContact CD1-CZ 4.06Å; I223-F227 HydrophobicContact CG1-CD2 3.7Å; I223-F227 HydrophobicContact CG1-CE2 3.77Å; I223-F227 VanDerWaalsContact O-CD2 3.31Å; I223-F227 WeakPolarHBondContact O-CD2 3.45Å; I223-F227 PolarHBondContact O-N 3.37Å; I223-F227 VanDerWaalsContact O-N 3.13Å; F227-N229 PolarHBondContact O-N 3.35Å; F227-I230 HydrophobicContact CD1-CD1 4.21Å; F227-I230 PolarHBondContact O-N 2.84Å; F227-I233 HydrophobicContact CB-CG2 4.46Å; F227-I233 HydrophobicContact CD1-CD1 4.08Å; F227-F235 VanDerWaalsContact C-CZ 3.49Å; F227-F235 HydrophobicContact CB-CD1 4.43Å; F227-F235 HydrophobicContact CB-CE1 3.25Å; F227-F235 HydrophobicContact CB-CZ 3.5Å; F227-F235 VanDerWaalsContact CB-CZ 3.5Å; F227-F235 HydrophobicContact CG-CE1 4.2Å
228R94.3Very high94.5Very high186 Ų18651.4 Ų51.470%0.70224%0.239SC*.THydrogen-bonded Turntrans-57.3-27.4-171.363.3-178.1-176.8172.83.4115.5R224 I230 F235R224-R228 WeakPolarHBondContact O-CB 3.34Å; R224-R228 WeakPolarHBondContact O-CG 3.19Å; R224-R228 PolarHBondContact O-N 3.3Å; R224-R228 VanDerWaalsContact O-N 3.1Å; R228-I230 VanDerWaalsContact C-N 3.33Å; R228-F235 HydrophobicContact CB-CE2 4.07Å; R228-F235 HydrophobicContact CB-CZ 4.43Å
229N94.7Very high94.4Very high129 Ų12955.1 Ų55.169%0.6926%0.256SS*.THydrogen-bonded Turntrans-81.3-15.3-177.1-161.443.3000112.7F227F227-N229 PolarHBondContact O-N 3.35Å
230I95Very high94.4Very high4 Ų456.9 Ų56.92%0.02126%0.262CS..SBendtrans-78123.5178.1-53.4175.4000108.5T170 A173 V174 L177 I186 F227 R228 G232 I233T170-I230 HydrophobicContact CG2-CD1 4.19Å; T170-I230 HydrophobicContact CG2-CG1 3.82Å; A173-I230 HydrophobicContact CB-CD1 4.12Å; V174-I230 HydrophobicContact CG2-CD1 3.84Å; V174-I230 HydrophobicContact CG2-CG1 4.33Å; L177-I230 HydrophobicContact CD1-CD1 3.82Å; I186-I230 HydrophobicContact CD1-CG2 4.41Å; I186-I230 HydrophobicContact CG2-CG2 3.76Å; F227-I230 HydrophobicContact CD1-CD1 4.21Å; F227-I230 PolarHBondContact O-N 2.84Å; R228-I230 VanDerWaalsContact C-N 3.33Å; I230-G232 PolarHBondContact O-N 3.13Å; I230-I233 HydrophobicContact CB-CD1 3.75Å; I230-I233 HydrophobicContact CB-CG1 4.18Å; I230-I233 HydrophobicContact CD1-CD1 4.04Å; I230-I233 HydrophobicContact CG1-CD1 4.49Å; I230-I233 HydrophobicContact CG2-CD1 3.56Å; I230-I233 HydrophobicContact CG2-CG1 3.94Å
231P94.4Very high94.5Very high13 Ų1354.4 Ų54.48%0.08425%0.249CC..THydrogen-bonded Turntrans-68137-17328-34.4000111.8V189 Y190 I233V189-P231 HydrophobicContact CG1-CB 4.14Å; Y190-P231 HydrophobicContact CD1-CG 3.76Å; Y190-P231 HydrophobicContact CD2-CG 3.79Å; Y190-P231 HydrophobicContact CE1-CG 3.41Å; Y190-P231 VanDerWaalsContact CE1-CG 3.41Å; Y190-P231 HydrophobicContact CE2-CG 3.44Å; Y190-P231 VanDerWaalsContact CE2-CG 3.44Å; Y190-P231 HydrophobicContact CG-CG 3.94Å; Y190-P231 WeakPolarHBondContact OH-CD 3Å; P231-I233 VanDerWaalsContact C-N 3.25Å; P231-I233 PolarHBondContact O-N 3.44Å
232G93.2Very high94.6Very high19 Ų1951.5 Ų51.520%0.19623%0.233CC..THydrogen-bonded Turntrans85.9-15.8174.100000115.2G212 I230G212-G232 WeakPolarHBondContact CA-O 3.4Å; G212-G232 PolarHBondContact N-O 3.3Å; I230-G232 PolarHBondContact O-N 3.13Å
233I95.5Very high94.8Very high12 Ų1251 Ų516%0.06223%0.227CC..  trans-71134.3171.8-57.7-170.3000109L177 I186 P213 I215 F227 I230 P231 F235L177-I233 HydrophobicContact CD1-CD1 3.48Å; L177-I233 VanDerWaalsContact CD1-CD1 3.48Å; I186-I233 HydrophobicContact CD1-CD1 3.87Å; I186-I233 HydrophobicContact CD1-CG1 4.35Å; I186-I233 HydrophobicContact CG1-CG1 4.49Å; P213-I233 WeakPolarHBondContact O-CA 2.83Å; I215-I233 HydrophobicContact CD1-CG2 3.75Å; I215-I233 HydrophobicContact CG1-CG2 4.06Å; F227-I233 HydrophobicContact CB-CG2 4.46Å; F227-I233 HydrophobicContact CD1-CD1 4.08Å; I230-I233 HydrophobicContact CB-CD1 3.75Å; I230-I233 HydrophobicContact CB-CG1 4.18Å; I230-I233 HydrophobicContact CD1-CD1 4.04Å; I230-I233 HydrophobicContact CG1-CD1 4.49Å; I230-I233 HydrophobicContact CG2-CD1 3.56Å; I230-I233 HydrophobicContact CG2-CG1 3.94Å; P231-I233 VanDerWaalsContact C-N 3.25Å; P231-I233 PolarHBondContact O-N 3.44Å; I233-F235 HydrophobicContact CB-CZ 4.47Å; I233-F235 HydrophobicContact CG2-CD1 4.38Å; I233-F235 HydrophobicContact CG2-CE1 3.52Å; I233-F235 HydrophobicContact CG2-CZ 3.81Å
234E95.7Very high95Very high37 Ų3752.1 Ų52.117%0.17323%0.233CC..EExtended strand (participates in β ladder)trans-125.8159.1170.7-67.1-174163.500110.3K211 P213 L214 I215 K245 R254K211-E234 IonicContact NZ-OE1 2.6Å; K211-E234 PolarHBondContact NZ-OE1 3.34Å; P213-E234 PolarHBondContact O-N 3.42Å; L214-E234 WeakPolarHBondContact CA-O 3.25Å; L214-E234 HydrophobicContact CD1-CB 3.71Å; I215-E234 PolarHBondContact N-O 3.28Å; E234-K245 HydrophobicContact CB-CD 4.47Å; E234-K245 WeakPolarHBondContact OE2-CG 3.04Å; E234-R254 IonicContact OE2-CZ 3.05Å; E234-R254 IonicContact OE2-NH1 3.18Å; E234-R254 PolarHBondContact OE2-NH1 3.31Å; E234-R254 IonicContact OE2-NH2 3.66Å; E234-R254 PolarHBondContact OE2-NH2 3.11Å
235F95.3Very high95.1Very high25 Ų2550 Ų5011%0.1123%0.227CC..EExtended strand (participates in β ladder)trans-118.2145.4-177.9-40.7-72.8000110.9I215 Y217 R224 F227 R228 I233 K245I215-F235 HydrophobicContact CB-CD1 4.21Å; I215-F235 HydrophobicContact CD1-CE1 4.28Å; I215-F235 CarbonylContact O-C 3.55Å; I215-F235 WeakPolarHBondContact O-CA 3.44Å; Y217-F235 HydrophobicContact CE1-CB 3.93Å; R224-F235 HydrophobicContact CG-CB 4.42Å; R224-F235 HydrophobicContact CG-CD2 4.46Å; R224-F235 HydrophobicContact CG-CG 4.31Å; F227-F235 VanDerWaalsContact C-CZ 3.49Å; F227-F235 HydrophobicContact CB-CD1 4.43Å; F227-F235 HydrophobicContact CB-CE1 3.25Å; F227-F235 HydrophobicContact CB-CZ 3.5Å; F227-F235 VanDerWaalsContact CB-CZ 3.5Å; F227-F235 HydrophobicContact CG-CE1 4.2Å; R228-F235 HydrophobicContact CB-CE2 4.07Å; R228-F235 HydrophobicContact CB-CZ 4.43Å; I233-F235 HydrophobicContact CB-CZ 4.47Å; I233-F235 HydrophobicContact CG2-CD1 4.38Å; I233-F235 HydrophobicContact CG2-CE1 3.52Å; I233-F235 HydrophobicContact CG2-CZ 3.81Å; F235-K245 PolarHBondContact O-NZ 3.16Å
236L95.8Very high95.2Very high8 Ų841.1 Ų41.14%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-136.4138.3166.7-83.1178.5000109.9L214 I215 I216 Y217 M241 N242 K245 L246L214-L236 HydrophobicContact CD1-CD1 4.24Å; L214-L236 HydrophobicContact CD1-CG 4.1Å; L214-L236 HydrophobicContact CD2-CD1 3.8Å; L214-L236 HydrophobicContact CG-CD1 4.39Å; I215-L236 PolarHBondContact O-N 3.24Å; I216-L236 VanDerWaalsContact CA-O 3.32Å; I216-L236 WeakPolarHBondContact CA-O 3.13Å; I216-L236 HydrophobicContact CG1-CB 4.21Å; Y217-L236 VanDerWaalsContact CD1-O 3.28Å; Y217-L236 WeakPolarHBondContact CD1-O 3.36Å; Y217-L236 WeakPolarHBondContact CE1-O 3.15Å; Y217-L236 PolarHBondContact N-O 3.12Å; L236-M241 HydrophobicContact CB-SD 4.35Å; L236-M241 HydrophobicContact CD1-CE 3.91Å; L236-M241 HydrophobicContact CD1-SD 4.19Å; L236-N242 HydrophobicContact CD2-CB 3.93Å; L236-K245 HydrophobicContact CD1-CB 3.97Å; L236-K245 HydrophobicContact CD2-CB 4.35Å; L236-K245 HydrophobicContact CD2-CD 3.67Å; L236-K245 HydrophobicContact CD2-CG 4.47Å; L236-K245 HydrophobicContact CG-CB 4.17Å; L236-K245 HydrophobicContact CG-CD 3.85Å; L236-L246 HydrophobicContact CD1-CD2 4.46Å; L236-L246 HydrophobicContact CD1-CG 4.17Å
237Q95.8Very high95.3Very high40 Ų4041.1 Ų41.119%0.18719%0.194CC..EExtended strand (participates in β ladder)trans-84.6138.1165.1-169.2-177.43.600108.4Y217 N218 E239 K240Y217-Q237 HydrophobicContact CE2-CB 4.37Å; Y217-Q237 HydrophobicContact CE2-CG 4.35Å; Y217-Q237 WeakPolarHBondContact O-CA 3.3Å; N218-Q237 PolarHBondContact O-NE2 3.22Å; Q237-E239 VanDerWaalsContact C-N 3.25Å; Q237-E239 PolarHBondContact O-N 3.11Å; Q237-K240 CarbonylContact O-C 3.53Å; Q237-K240 PolarHBondContact O-N 2.7Å
238V95.6Very high95.3Very high0 Ų042 Ų420%020%0.199CC..G310 helixtrans-60.1-33.3-172.2-169.20000113I216 Y217 K240 M241 A262 L266 I269I216-V238 HydrophobicContact CG2-CG2 3.72Å; Y217-V238 WeakPolarHBondContact O-CG2 3.31Å; Y217-V238 PolarHBondContact O-N 3.31Å; V238-K240 VanDerWaalsContact C-N 3.3Å; V238-K240 PolarHBondContact O-N 2.92Å; V238-M241 WeakPolarHBondContact O-CG 3.34Å; V238-A262 WeakPolarHBondContact CG1-O 3.5Å; V238-A262 HydrophobicContact CG2-CB 3.13Å; V238-L266 HydrophobicContact CG1-CD2 3.96Å; V238-L266 HydrophobicContact CG1-CG 4.43Å; V238-I269 HydrophobicContact CB-CD1 4.22Å; V238-I269 HydrophobicContact CG1-CD1 3.57Å
239E94.1Very high95.4Very high103 Ų10335.7 Ų35.748%0.48119%0.192SC..G310 helixtrans-71.3-27.5176.9-65.5176.9176.700112.7Q237 K265 I269Q237-E239 VanDerWaalsContact C-N 3.25Å; Q237-E239 PolarHBondContact O-N 3.11Å; E239-K265 VanDerWaalsContact OE1-CE 3.25Å; E239-K265 WeakPolarHBondContact OE1-CE 3.46Å; E239-K265 IonicContact OE1-NZ 2.7Å; E239-K265 PolarHBondContact OE1-NZ 2.73Å; E239-I269 HydrophobicContact CG-CD1 4.2Å
240K93.4Very high95.4Very high147 Ų14730 Ų3064%0.63916%0.164SC*.G310 helixtrans-111.843.7-172.2-63.6175.9-176.91660111.5Q237 V238 N242Q237-K240 CarbonylContact O-C 3.53Å; Q237-K240 PolarHBondContact O-N 2.7Å; V238-K240 VanDerWaalsContact C-N 3.3Å; V238-K240 PolarHBondContact O-N 2.92Å; K240-N242 PolarHBondContact O-N 3.06Å
241M94.4Very high95.5Very high19 Ų1936 Ų369%0.09419%0.192CC..  trans-58.3130.2179-63.6-53.9-7500112I130 I134 I216 L236 V238 L246 W258I130-M241 HydrophobicContact CG2-CB 3.85Å; I134-M241 HydrophobicContact CD1-CE 4.15Å; I134-M241 HydrophobicContact CG1-CE 4.21Å; I216-M241 HydrophobicContact CD1-CE 3.95Å; I216-M241 HydrophobicContact CG1-CE 4.49Å; I216-M241 HydrophobicContact CG2-CE 4.43Å; I216-M241 HydrophobicContact CG2-SD 4.08Å; L236-M241 HydrophobicContact CB-SD 4.35Å; L236-M241 HydrophobicContact CD1-CE 3.91Å; L236-M241 HydrophobicContact CD1-SD 4.19Å; V238-M241 WeakPolarHBondContact O-CG 3.34Å; M241-L246 HydrophobicContact CE-CD1 3.75Å; M241-L246 HydrophobicContact CE-CD2 3.74Å; M241-L246 HydrophobicContact CE-CG 4.02Å; M241-W258 HydrophobicContact CE-CH2 3.91Å; M241-W258 HydrophobicContact CE-CZ3 4.44Å
242N95.1Very high95.5Very high34 Ų3436.7 Ų36.718%0.18219%0.194CC..  trans-120.7123-179.1-171.8-12.1000111.2L236 K240 L244 K245 L246L236-N242 HydrophobicContact CD2-CB 3.93Å; K240-N242 PolarHBondContact O-N 3.06Å; N242-L244 PolarHBondContact O-N 3.44Å; N242-L244 WeakPolarHBondContact OD1-CB 3.49Å; N242-L244 PolarHBondContact OD1-N 2.82Å; N242-K245 PolarHBondContact O-N 3.49Å; N242-K245 VanDerWaalsContact O-N 3.11Å; N242-L246 PolarHBondContact O-N 2.82Å; N242-L246 VanDerWaalsContact O-N 3.09Å
243L96.8Very high95.6Very high0 Ų035.8 Ų35.80%019%0.185CC..Hα-helixtrans-57.4-35.2176.8-170.868.2000112.9V35 V38 H39 M42 A129 I130 A133 K245 L246 A247V35-L243 HydrophobicContact CG1-CD1 4.24Å; V38-L243 HydrophobicContact CB-CD2 3.85Å; V38-L243 HydrophobicContact CG1-CD2 3.49Å; V38-L243 VanDerWaalsContact CG1-CD2 3.49Å; H39-L243 HydrophobicContact CB-CD2 4.1Å; M42-L243 HydrophobicContact CE-CB 4.41Å; M42-L243 HydrophobicContact SD-CB 3.97Å; M42-L243 HydrophobicContact SD-CD2 4.17Å; A129-L243 HydrophobicContact CB-CD1 4.01Å; A129-L243 HydrophobicContact CB-CD2 3.7Å; A129-L243 HydrophobicContact CB-CG 4.48Å; A129-L243 WeakPolarHBondContact O-CD1 3.26Å; I130-L243 HydrophobicContact CG1-CB 4.04Å; I130-L243 HydrophobicContact CG1-CD1 4.39Å; A133-L243 HydrophobicContact CB-CD1 3.68Å; L243-K245 PolarHBondContact O-N 2.67Å; L243-L246 PolarHBondContact O-N 3.48Å; L243-A247 HydrophobicContact CD1-CB 4.17Å; L243-A247 PolarHBondContact O-N 2.74Å
244L96.8Very high95.6Very high24 Ų2435.2 Ų35.213%0.12618%0.182CC..Hα-helixtrans-64.9-25.4-179-61.7-178.9000112.9M42 R43 N242 P248M42-L244 HydrophobicContact CB-CD2 4.12Å; M42-L244 HydrophobicContact CB-CG 4.46Å; R43-L244 HydrophobicContact CB-CD2 4.24Å; N242-L244 PolarHBondContact O-N 3.44Å; N242-L244 WeakPolarHBondContact OD1-CB 3.49Å; N242-L244 PolarHBondContact OD1-N 2.82Å; L244-P248 WeakPolarHBondContact O-CA 3.33Å
245K96.4Very high95.7Very high63 Ų6333.4 Ų33.427%0.27417%0.174SC..Hα-helixtrans-91.6-37.3175.3-69.7-168177.7173.30111.7L214 E234 F235 L236 N242 L243 P248 R254L214-K245 HydrophobicContact CD1-CB 4.15Å; L214-K245 HydrophobicContact CD1-CD 4.44Å; E234-K245 HydrophobicContact CB-CD 4.47Å; E234-K245 WeakPolarHBondContact OE2-CG 3.04Å; F235-K245 PolarHBondContact O-NZ 3.16Å; L236-K245 HydrophobicContact CD1-CB 3.97Å; L236-K245 HydrophobicContact CD2-CB 4.35Å; L236-K245 HydrophobicContact CD2-CD 3.67Å; L236-K245 HydrophobicContact CD2-CG 4.47Å; L236-K245 HydrophobicContact CG-CB 4.17Å; L236-K245 HydrophobicContact CG-CD 3.85Å; N242-K245 PolarHBondContact O-N 3.49Å; N242-K245 VanDerWaalsContact O-N 3.11Å; L243-K245 PolarHBondContact O-N 2.67Å; K245-P248 WeakPolarHBondContact O-CD 3.4Å; K245-R254 WeakPolarHBondContact O-CD 3.22Å; K245-R254 PolarHBondContact O-NH1 3.09Å
246L96.6Very high95.7Very high1 Ų132.3 Ų32.31%0.00517%0.169CC..Hα-helixtrans-69.5-44.9176.7-73.4167.7000113I130 A133 I134 T137 L214 I216 L236 M241 N242 L243 P248 R254I130-L246 HydrophobicContact CG2-CD1 3.84Å; A133-L246 HydrophobicContact CB-CB 3.93Å; A133-L246 HydrophobicContact CB-CD1 4.26Å; I134-L246 HydrophobicContact CD1-CD1 4.46Å; I134-L246 HydrophobicContact CG1-CD1 3.8Å; I134-L246 HydrophobicContact CG1-CD2 4.36Å; T137-L246 HydrophobicContact CG2-CD2 4.48Å; L214-L246 HydrophobicContact CD2-CD2 3.77Å; L214-L246 HydrophobicContact CD2-CG 4.33Å; I216-L246 HydrophobicContact CD1-CD2 4.36Å; L236-L246 HydrophobicContact CD1-CD2 4.46Å; L236-L246 HydrophobicContact CD1-CG 4.17Å; M241-L246 HydrophobicContact CE-CD1 3.75Å; M241-L246 HydrophobicContact CE-CD2 3.74Å; M241-L246 HydrophobicContact CE-CG 4.02Å; N242-L246 PolarHBondContact O-N 2.82Å; N242-L246 VanDerWaalsContact O-N 3.09Å; L243-L246 PolarHBondContact O-N 3.48Å; L246-P248 VanDerWaalsContact O-CD 3.28Å; L246-P248 WeakPolarHBondContact O-CD 3.47Å; L246-R254 WeakPolarHBondContact O-CB 3.47Å
247A97Very high95.7Very high0 Ų032.1 Ų32.10%017%0.168CC..SBendtrans-121.962.5-176.900000111.3V35 H39 A133 L243 G249 G250 H251V35-A247 HydrophobicContact CG1-CB 3.66Å; H39-A247 PolarHBondContact CD2-O 3.26Å; H39-A247 PolarHBondContact NE2-O 3.09Å; A133-A247 HydrophobicContact CB-CB 4.23Å; L243-A247 HydrophobicContact CD1-CB 4.17Å; L243-A247 PolarHBondContact O-N 2.74Å; A247-G249 PolarHBondContact O-N 3.5Å; A247-G250 WeakPolarHBondContact O-CA 3.38Å; A247-G250 PolarHBondContact O-N 2.69Å; A247-H251 CarbonylContact C-O 3.59Å; A247-H251 WeakPolarHBondContact CA-O 3.41Å; A247-H251 WeakPolarHBondContact CB-O 3.46Å
248P96.1Very high95.8Very high18 Ų1830.2 Ų30.212%0.11716%0.159CC..G310 helixtrans-63124.1-176.828.9-38.1000111R146 K211 L244 K245 L246 G250R146-P248 VanDerWaalsContact CZ-CG 3.49Å; K211-P248 HydrophobicContact CG-CB 4.46Å; K211-P248 HydrophobicContact CG-CG 4.48Å; L244-P248 WeakPolarHBondContact O-CA 3.33Å; K245-P248 WeakPolarHBondContact O-CD 3.4Å; L246-P248 VanDerWaalsContact O-CD 3.28Å; L246-P248 WeakPolarHBondContact O-CD 3.47Å; P248-G250 VanDerWaalsContact C-N 3.31Å
249G95Very high95.8Very high54 Ų5430.4 Ų30.456%0.55716%0.16SC*.G310 helixtrans86.2-1.4-173.600000114H39 A247 H251H39-G249 VanDerWaalsContact CE1-CA 3.44Å; H39-G249 WeakPolarHBondContact CE1-CA 3.07Å; H39-G249 PolarHBondContact CE1-N 2.96Å; H39-G249 PolarHBondContact NE2-N 2.9Å; A247-G249 PolarHBondContact O-N 3.5Å; G249-H251 VanDerWaalsContact C-N 3.34Å
250G95.7Very high95.8Very high10 Ų1026.6 Ų26.610%0.10314%0.142CC..G310 helixtrans85.76.7-173.700000113.4H39 A247 P248H39-G250 PolarHBondContact CD2-N 3.16Å; H39-G250 PolarHBondContact CE1-N 3.39Å; H39-G250 PolarHBondContact ND1-N 3.22Å; H39-G250 PolarHBondContact NE2-N 2.99Å; A247-G250 WeakPolarHBondContact O-CA 3.38Å; A247-G250 PolarHBondContact O-N 2.69Å; P248-G250 VanDerWaalsContact C-N 3.31Å
251H96.8Very high95.9Very high130 Ų13020.6 Ų20.660%0.60212%0.119SC*.  trans-93.3121.2173.6-59.7-73.3000109.7A247 G249A247-H251 CarbonylContact C-O 3.59Å; A247-H251 WeakPolarHBondContact CA-O 3.41Å; A247-H251 WeakPolarHBondContact CB-O 3.46Å; G249-H251 VanDerWaalsContact C-N 3.34Å
252M94.1Very high96Very high26 Ų2619.7 Ų19.713%0.12811%0.114CC..  trans-78.4168.6173.965.5-177.55300111.5L30 V35 A136 L142L30-M252 HydrophobicContact CB-SD 4.4Å; L30-M252 HydrophobicContact CD2-SD 4.48Å; V35-M252 HydrophobicContact CB-CE 4.03Å; V35-M252 HydrophobicContact CG1-CE 4.46Å; V35-M252 HydrophobicContact CG2-CE 3.83Å; A136-M252 HydrophobicContact CB-CB 3.6Å; A136-M252 HydrophobicContact CB-CG 3.79Å; A136-M252 HydrophobicContact CB-SD 3.96Å; L142-M252 HydrophobicContact CD1-SD 4.48Å
253G95.1Very high96Very high0 Ų018 Ų180%011%0.105CC..  trans84.855.8-178.200000112.7V143 R146V143-G253 WeakPolarHBondContact CA-O 3.25Å; R146-G253 VanDerWaalsContact CB-O 3.25Å; R146-G253 WeakPolarHBondContact CB-O 3.39Å; R146-G253 WeakPolarHBondContact CD-O 3.25Å
254R96.4Very high95.9Very high0 Ų024.7 Ų24.70%013%0.13CC..  trans-90.3140.2170.9-173.8173.1-176.1-179.4-7109.7T137 H148 G212 L214 E234 K245 L246 C256T137-R254 WeakPolarHBondContact CG2-O 3.33Å; H148-R254 WeakPolarHBondContact NE2-CG 3.36Å; G212-R254 PolarHBondContact O-NE 3.28Å; G212-R254 PolarHBondContact O-NH2 3.24Å; L214-R254 HydrophobicContact CB-CG 4.45Å; E234-R254 IonicContact OE2-CZ 3.05Å; E234-R254 IonicContact OE2-NH1 3.18Å; E234-R254 PolarHBondContact OE2-NH1 3.31Å; E234-R254 IonicContact OE2-NH2 3.66Å; E234-R254 PolarHBondContact OE2-NH2 3.11Å; K245-R254 WeakPolarHBondContact O-CD 3.22Å; K245-R254 PolarHBondContact O-NH1 3.09Å; L246-R254 WeakPolarHBondContact O-CB 3.47Å; R254-C256 PolarHBondContact O-N 3.01Å; R254-C256 PolarHBondContact O-SG 3.44Å
255F96.8Very high95.8Very high0 Ų026 Ų260%014%0.135CC..  trans-66.3117.1172.2177-126.4000109.4V143 H148 I150 I153 L156 M158 A182 P213 L214 I257V143-F255 HydrophobicContact CG1-CB 3.86Å; H148-F255 HydrophobicContact CB-CB 4.08Å; H148-F255 PolarHBondContact CD2-N 3.43Å; H148-F255 VanDerWaalsContact CD2-N 3.29Å; H148-F255 PolarHBondContact NE2-N 3.32Å; H148-F255 VanDerWaalsContact NE2-N 3.17Å; I150-F255 HydrophobicContact CG2-CB 4.35Å; I150-F255 HydrophobicContact CG2-CD2 4.12Å; I150-F255 HydrophobicContact CG2-CG 4.16Å; I153-F255 HydrophobicContact CD1-CD1 4.34Å; I153-F255 HydrophobicContact CD1-CD2 3.98Å; I153-F255 HydrophobicContact CD1-CE1 3.82Å; I153-F255 HydrophobicContact CD1-CE2 3.42Å; I153-F255 VanDerWaalsContact CD1-CE2 3.42Å; I153-F255 HydrophobicContact CD1-CG 4.44Å; I153-F255 HydrophobicContact CD1-CZ 3.34Å; I153-F255 HydrophobicContact CG2-CE2 4.28Å; L156-F255 HydrophobicContact CD2-CD2 3.75Å; L156-F255 HydrophobicContact CD2-CE2 3.76Å; M158-F255 HydrophobicContact CB-CE2 4.16Å; A182-F255 HydrophobicContact CB-CE1 3.9Å; A182-F255 HydrophobicContact CB-CZ 4.29Å; P213-F255 WeakPolarHBondContact CA-O 3.25Å; P213-F255 HydrophobicContact CB-CD1 3.69Å; P213-F255 HydrophobicContact CB-CE1 3.84Å; P213-F255 HydrophobicContact CG-CD1 3.73Å; P213-F255 HydrophobicContact CG-CE1 3.83Å; L214-F255 PolarHBondContact N-O 3.49Å; F255-I257 HydrophobicContact CE1-CD1 4.03Å; F255-I257 HydrophobicContact CE1-CG1 3.96Å; F255-I257 HydrophobicContact CE2-CG1 4.39Å; F255-I257 HydrophobicContact CZ-CD1 4.08Å; F255-I257 HydrophobicContact CZ-CG1 3.68Å
256C96.5Very high95.8Very high1 Ų123 Ų231%0.00712%0.122CC..EExtended strand (participates in β ladder)trans-123.5137.3-177-59.10000109.8T137 L214 I216 R254T137-C256 HydrophobicContact CG2-CB 4.28Å; T137-C256 WeakPolarHBondContact CG2-SG 3.49Å; L214-C256 HydrophobicContact CB-CB 4.49Å; L214-C256 CarbonylContact O-C 3.04Å; L214-C256 WeakPolarHBondContact O-CA 3.23Å; I216-C256 HydrophobicContact CD1-CB 3.91Å; R254-C256 PolarHBondContact O-N 3.01Å; R254-C256 PolarHBondContact O-SG 3.44Å
257I95.9Very high95.6Very high4 Ų425.1 Ų25.12%0.02113%0.133CC..EExtended strand (participates in β ladder)trans-110.2122.5174-57.8172.5000106.1M158 V160 L177 L180 P213 L214 I215 I216 F255M158-I257 HydrophobicContact CG-CG1 4.33Å; M158-I257 HydrophobicContact CG-CG2 4.28Å; V160-I257 HydrophobicContact CG2-CG2 3.53Å; L177-I257 HydrophobicContact CD2-CD1 3.89Å; L180-I257 HydrophobicContact CD2-CD1 3.91Å; L180-I257 HydrophobicContact CD2-CG1 4.3Å; L180-I257 HydrophobicContact CD2-CG2 4.33Å; P213-I257 HydrophobicContact CB-CD1 4.15Å; L214-I257 PolarHBondContact O-N 2.84Å; I215-I257 CarbonylContact C-O 3.59Å; I215-I257 WeakPolarHBondContact CA-O 3.4Å; I215-I257 HydrophobicContact CG1-CB 4.46Å; I216-I257 PolarHBondContact N-O 3.4Å; F255-I257 HydrophobicContact CE1-CD1 4.03Å; F255-I257 HydrophobicContact CE1-CG1 3.96Å; F255-I257 HydrophobicContact CE2-CG1 4.39Å; F255-I257 HydrophobicContact CZ-CD1 4.08Å; F255-I257 HydrophobicContact CZ-CG1 3.68Å
258W96.7Very high95.5Very high1 Ų127.8 Ų27.80%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-104.9138.6-178.3-62.587.6000109.9F26 I134 M158 V159 V160 I216 M241 A262 F263 L266F26-W258 HydrophobicContact CZ-CZ2 4.1Å; I134-W258 HydrophobicContact CG1-CH2 4.39Å; I134-W258 HydrophobicContact CG2-CH2 4.14Å; I134-W258 HydrophobicContact CG2-CZ2 4.02Å; M158-W258 PolarHBondContact O-N 3.36Å; V159-W258 CarbonylContact C-O 3.42Å; V159-W258 WeakPolarHBondContact CA-O 3.25Å; V159-W258 HydrophobicContact CG2-CB 4.28Å; V160-W258 PolarHBondContact N-O 3.35Å; I216-W258 HydrophobicContact CB-CD2 4.09Å; I216-W258 HydrophobicContact CB-CE3 3.67Å; I216-W258 HydrophobicContact CB-CZ3 3.94Å; I216-W258 HydrophobicContact CD1-CD2 3.8Å; I216-W258 HydrophobicContact CD1-CE3 3.86Å; I216-W258 HydrophobicContact CD1-CH2 3.43Å; I216-W258 VanDerWaalsContact CD1-CH2 3.43Å; I216-W258 HydrophobicContact CD1-CZ2 3.33Å; I216-W258 HydrophobicContact CD1-CZ3 3.69Å; I216-W258 HydrophobicContact CG1-CE3 4.38Å; I216-W258 HydrophobicContact CG1-CZ3 4.39Å; I216-W258 HydrophobicContact CG2-CD2 4.37Å; I216-W258 HydrophobicContact CG2-CE3 3.48Å; I216-W258 VanDerWaalsContact CG2-CE3 3.48Å; I216-W258 HydrophobicContact CG2-CH2 4.18Å; I216-W258 HydrophobicContact CG2-CZ3 3.36Å; M241-W258 HydrophobicContact CE-CH2 3.91Å; M241-W258 HydrophobicContact CE-CZ3 4.44Å; W258-A262 HydrophobicContact CE3-CB 4.45Å; W258-F263 HydrophobicContact CB-CB 4.28Å; W258-F263 HydrophobicContact CB-CD2 3.98Å; W258-F263 HydrophobicContact CD2-CD2 4.07Å; W258-F263 HydrophobicContact CE3-CD2 4.45Å; W258-F263 AromaticContact CG-CD2 3.85Å; W258-F263 HydrophobicContact CG-CD2 3.85Å; W258-L266 HydrophobicContact CE3-CD1 4.2Å; W258-L266 HydrophobicContact CH2-CD1 3.85Å; W258-L266 HydrophobicContact CH2-CD2 4.02Å; W258-L266 HydrophobicContact CH2-CG 4.44Å; W258-L266 HydrophobicContact CZ2-CD1 4.44Å; W258-L266 HydrophobicContact CZ3-CD1 3.72Å; W258-L266 HydrophobicContact CZ3-CD2 3.86Å; W258-L266 HydrophobicContact CZ3-CG 4.05Å
259T95.8Very high95.5Very high3 Ų327 Ų272%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-75.7154.7162.365.20000109.9V160 D162 E165 I216 Y217 S261 A262 F263V160-T259 CarbonylContact O-C 3.58Å; V160-T259 VanDerWaalsContact O-CA 3.32Å; V160-T259 WeakPolarHBondContact O-CA 3.47Å; D162-T259 WeakPolarHBondContact OD1-CB 3.34Å; E165-T259 HydrophobicContact CG-CG2 3.78Å; E165-T259 WeakPolarHBondContact OE1-CB 3.43Å; E165-T259 PolarHBondContact OE1-OG1 3.41Å; I216-T259 PolarHBondContact O-N 2.9Å; Y217-T259 WeakPolarHBondContact CA-OG1 3.48Å; T259-S261 PolarHBondContact O-N 3.03Å; T259-A262 VanDerWaalsContact O-CB 3.31Å; T259-A262 WeakPolarHBondContact O-CB 2.89Å; T259-A262 PolarHBondContact O-N 2.87Å; T259-A262 WeakPolarHBondContact OG1-CB 3.33Å; T259-A262 PolarHBondContact OG1-N 2.88Å; T259-F263 WeakPolarHBondContact O-CB 3.34Å; T259-F263 PolarHBondContact O-N 3.19Å
260E95.1Very high95.4Very high23 Ų2324.6 Ų24.611%0.10712%0.119CC..Hα-helixtrans-57.5-50.2-178.5160.5156.5-15400111.5V8 I20 V160 D162 A262 F263 R264V8-E260 HydrophobicContact CG1-CB 4.44Å; I20-E260 HydrophobicContact CD1-CB 4.1Å; I20-E260 HydrophobicContact CD1-CG 3.64Å; V160-E260 PolarHBondContact O-N 3.4Å; D162-E260 PolarHBondContact OD1-N 3.04Å; E260-A262 VanDerWaalsContact C-N 3.3Å; E260-A262 PolarHBondContact O-N 3.23Å; E260-F263 PolarHBondContact O-N 2.9Å; E260-F263 VanDerWaalsContact O-N 3.16Å; E260-R264 WeakPolarHBondContact O-CG 3.4Å; E260-R264 PolarHBondContact O-N 3.41Å; E260-R264 IonicContact OE1-CZ 2.7Å; E260-R264 VanDerWaalsContact OE1-CZ 3.24Å; E260-R264 IonicContact OE1-NE 3.47Å; E260-R264 PolarHBondContact OE1-NE 3.12Å; E260-R264 IonicContact OE1-NH2 2.84Å; E260-R264 PolarHBondContact OE1-NH2 3.43Å
261S95.2Very high95.3Very high21 Ų2124.3 Ų24.315%0.14712%0.116CC..Hα-helixtrans-60.8-39.2176.460.50000112.2D162 E165 N218 T259 F263 K265D162-S261 VanDerWaalsContact OD1-CB 3.23Å; D162-S261 WeakPolarHBondContact OD1-CB 3.43Å; D162-S261 PolarHBondContact OD1-N 3.25Å; D162-S261 PolarHBondContact OD1-OG 2.63Å; D162-S261 VanDerWaalsContact OD2-CB 3.26Å; D162-S261 WeakPolarHBondContact OD2-CB 3.21Å; D162-S261 PolarHBondContact OD2-N 3.44Å; D162-S261 VanDerWaalsContact OD2-N 3.16Å; E165-S261 PolarHBondContact OE1-OG 3.41Å; N218-S261 VanDerWaalsContact CB-OG 3.25Å; N218-S261 WeakPolarHBondContact CB-OG 2.98Å; T259-S261 PolarHBondContact O-N 3.03Å; S261-F263 VanDerWaalsContact C-N 3.34Å; S261-F263 PolarHBondContact O-N 2.9Å; S261-K265 WeakPolarHBondContact O-CB 3.07Å; S261-K265 PolarHBondContact O-N 3.24Å; S261-K265 VanDerWaalsContact O-N 3.14Å
262A96.1Very high95.1Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-60.3-44.3174.500000112.3I216 V238 W258 T259 E260I216-A262 HydrophobicContact CG2-CB 4.49Å; I216-A262 WeakPolarHBondContact O-CB 3.46Å; V238-A262 WeakPolarHBondContact CG1-O 3.5Å; V238-A262 HydrophobicContact CG2-CB 3.13Å; W258-A262 HydrophobicContact CE3-CB 4.45Å; T259-A262 VanDerWaalsContact O-CB 3.31Å; T259-A262 WeakPolarHBondContact O-CB 2.89Å; T259-A262 PolarHBondContact O-N 2.87Å; T259-A262 WeakPolarHBondContact OG1-CB 3.33Å; T259-A262 PolarHBondContact OG1-N 2.88Å; E260-A262 VanDerWaalsContact C-N 3.3Å; E260-A262 PolarHBondContact O-N 3.23Å
263F95.7Very high94.9Very high0 Ų023.7 Ų23.70%011%0.111CC..Hα-helixtrans-69.2-44.7-177.7-162.1-105.9000111.6V6 I20 P23 F26 P157 V159 W258 T259 E260 S261 K265 L266V6-F263 HydrophobicContact CB-CE1 4.24Å; V6-F263 HydrophobicContact CB-CZ 4.49Å; V6-F263 HydrophobicContact CG2-CE1 4.05Å; V6-F263 HydrophobicContact CG2-CZ 3.99Å; I20-F263 HydrophobicContact CB-CD1 4.27Å; I20-F263 HydrophobicContact CD1-CD1 4.39Å; I20-F263 HydrophobicContact CG2-CD1 3.83Å; I20-F263 HydrophobicContact CG2-CE1 4.29Å; P23-F263 HydrophobicContact CG-CD1 4.08Å; P23-F263 HydrophobicContact CG-CE1 3.87Å; P23-F263 HydrophobicContact CG-CE2 4.49Å; P23-F263 HydrophobicContact CG-CG 4.48Å; P23-F263 HydrophobicContact CG-CZ 4.08Å; P23-F263 WeakPolarHBondContact CG-O 3.34Å; F26-F263 HydrophobicContact CD2-CE2 4.19Å; F26-F263 HydrophobicContact CD2-CZ 4.25Å; F26-F263 HydrophobicContact CE2-CD2 4.16Å; F26-F263 AromaticContact CE2-CE2 3.29Å; F26-F263 HydrophobicContact CE2-CE2 3.29Å; F26-F263 AromaticContact CE2-CZ 3.78Å; F26-F263 HydrophobicContact CE2-CZ 3.78Å; F26-F263 AromaticContact CZ-CE2 3.66Å; F26-F263 HydrophobicContact CZ-CE2 3.66Å; F26-F263 HydrophobicContact CZ-CZ 4.41Å; P157-F263 HydrophobicContact CB-CE2 3.91Å; P157-F263 HydrophobicContact CB-CZ 4.41Å; P157-F263 HydrophobicContact CG-CE2 4.13Å; P157-F263 HydrophobicContact CG-CZ 4.3Å; V159-F263 HydrophobicContact CG1-CB 4.09Å; V159-F263 HydrophobicContact CG1-CG 4.31Å; V159-F263 HydrophobicContact CG2-CB 4.27Å; V159-F263 HydrophobicContact CG2-CD1 3.92Å; V159-F263 HydrophobicContact CG2-CD2 3.6Å; V159-F263 HydrophobicContact CG2-CE1 4.05Å; V159-F263 HydrophobicContact CG2-CE2 3.76Å; V159-F263 HydrophobicContact CG2-CG 3.68Å; V159-F263 HydrophobicContact CG2-CZ 3.99Å; W258-F263 HydrophobicContact CB-CB 4.28Å; W258-F263 HydrophobicContact CB-CD2 3.98Å; W258-F263 HydrophobicContact CD2-CD2 4.07Å; W258-F263 HydrophobicContact CE3-CD2 4.45Å; W258-F263 AromaticContact CG-CD2 3.85Å; W258-F263 HydrophobicContact CG-CD2 3.85Å; T259-F263 WeakPolarHBondContact O-CB 3.34Å; T259-F263 PolarHBondContact O-N 3.19Å; E260-F263 PolarHBondContact O-N 2.9Å; E260-F263 VanDerWaalsContact O-N 3.16Å; S261-F263 VanDerWaalsContact C-N 3.34Å; S261-F263 PolarHBondContact O-N 2.9Å; F263-K265 VanDerWaalsContact C-N 3.32Å; F263-K265 PolarHBondContact O-N 3.28Å; F263-L266 HydrophobicContact CD2-CD1 4.23Å; F263-L266 WeakPolarHBondContact O-CB 3.16Å; F263-L266 PolarHBondContact O-N 3.06Å
264R94.7Very high94.7Very high139 Ų13933.8 Ų33.853%0.52516%0.155SC..Hα-helixtrans-60.4-38.8176.6-70.3176.2-179.6-1163.9112.4I20 E260 L266I20-R264 HydrophobicContact CD1-CG 4.18Å; I20-R264 HydrophobicContact CG2-CG 3.87Å; E260-R264 WeakPolarHBondContact O-CG 3.4Å; E260-R264 PolarHBondContact O-N 3.41Å; E260-R264 IonicContact OE1-CZ 2.7Å; E260-R264 VanDerWaalsContact OE1-CZ 3.24Å; E260-R264 IonicContact OE1-NE 3.47Å; E260-R264 PolarHBondContact OE1-NE 3.12Å; E260-R264 IonicContact OE1-NH2 2.84Å; E260-R264 PolarHBondContact OE1-NH2 3.43Å; R264-L266 PolarHBondContact O-N 2.94Å
265K95.1Very high94.5Very high51 Ų5139.3 Ų39.322%0.22218%0.179CC..Hα-helixtrans-70-12.6-177.3-161.8170.7177.9168.50114.2N218 E239 S261 F263 D267 T268 I269N218-K265 VanDerWaalsContact OD1-CD 3.3Å; N218-K265 WeakPolarHBondContact OD1-CD 3.46Å; N218-K265 PolarHBondContact OD1-NZ 2.61Å; E239-K265 VanDerWaalsContact OE1-CE 3.25Å; E239-K265 WeakPolarHBondContact OE1-CE 3.46Å; E239-K265 IonicContact OE1-NZ 2.7Å; E239-K265 PolarHBondContact OE1-NZ 2.73Å; S261-K265 WeakPolarHBondContact O-CB 3.07Å; S261-K265 PolarHBondContact O-N 3.24Å; S261-K265 VanDerWaalsContact O-N 3.14Å; F263-K265 VanDerWaalsContact C-N 3.32Å; F263-K265 PolarHBondContact O-N 3.28Å; K265-D267 PolarHBondContact O-N 3.41Å; K265-T268 PolarHBondContact O-N 2.74Å; K265-I269 HydrophobicContact CB-CD1 4.41Å; K265-I269 HydrophobicContact CD-CD1 4.22Å; K265-I269 HydrophobicContact CG-CD1 3.75Å; K265-I269 HydrophobicContact CG-CG1 4.17Å; K265-I269 WeakPolarHBondContact O-CG1 3.22Å; K265-I269 PolarHBondContact O-N 3.37Å
266L95.1Very high94.3Very high0 Ų043 Ų430%020%0.203CC..Hα-helixtrans-61-41.7-180-75.7174.5000113P23 F26 I134 V238 W258 F263 R264 T268 I269 Y270P23-L266 HydrophobicContact CB-CB 3.87Å; P23-L266 HydrophobicContact CB-CD1 4.34Å; P23-L266 HydrophobicContact CG-CB 4.03Å; P23-L266 HydrophobicContact CG-CD1 4.09Å; F26-L266 HydrophobicContact CE2-CD1 3.8Å; I134-L266 HydrophobicContact CD1-CD2 4.43Å; V238-L266 HydrophobicContact CG1-CD2 3.96Å; V238-L266 HydrophobicContact CG1-CG 4.43Å; W258-L266 HydrophobicContact CE3-CD1 4.2Å; W258-L266 HydrophobicContact CH2-CD1 3.85Å; W258-L266 HydrophobicContact CH2-CD2 4.02Å; W258-L266 HydrophobicContact CH2-CG 4.44Å; W258-L266 HydrophobicContact CZ2-CD1 4.44Å; W258-L266 HydrophobicContact CZ3-CD1 3.72Å; W258-L266 HydrophobicContact CZ3-CD2 3.86Å; W258-L266 HydrophobicContact CZ3-CG 4.05Å; F263-L266 HydrophobicContact CD2-CD1 4.23Å; F263-L266 WeakPolarHBondContact O-CB 3.16Å; F263-L266 PolarHBondContact O-N 3.06Å; R264-L266 PolarHBondContact O-N 2.94Å; L266-T268 VanDerWaalsContact C-N 3.35Å; L266-I269 PolarHBondContact O-N 2.93Å; L266-Y270 HydrophobicContact CD2-CD2 4.16Å; L266-Y270 HydrophobicContact CD2-CE2 3.97Å; L266-Y270 PolarHBondContact O-N 3.14Å
267D93.2Very high94.1Very high46 Ų4643.7 Ų43.725%0.24621%0.208CC..Hα-helixtrans-66.7-37179.7-85.5-11.5000111.4P23 A24 K265 G271P23-D267 WeakPolarHBondContact CA-OD1 3.38Å; P23-D267 WeakPolarHBondContact CB-OD1 3.32Å; A24-D267 PolarHBondContact N-OD1 2.82Å; K265-D267 PolarHBondContact O-N 3.41Å; D267-G271 WeakPolarHBondContact O-CA 3.25Å; D267-G271 PolarHBondContact O-N 3Å
268T94.6Very high94Very high57 Ų5749.2 Ų49.235%0.3523%0.234SC..Hα-helixtrans-62.2-45.4171.4-55.90000111.9K265 L266 E278 V279K265-T268 PolarHBondContact O-N 2.74Å; L266-T268 VanDerWaalsContact C-N 3.35Å; T268-E278 HydrophobicContact CG2-CB 4.27Å; T268-E278 WeakPolarHBondContact CG2-OE2 3.35Å; T268-E278 PolarHBondContact O-N 3.28Å; T268-V279 HydrophobicContact CG2-CG2 4.44Å
269I95.3Very high93.9Very high2 Ų253.6 Ų53.61%0.0126%0.261CS..Hα-helixtrans-74.3-30.8-174.2-70164.8000113.3V238 E239 K265 L266 S277 V279 K280V238-I269 HydrophobicContact CB-CD1 4.22Å; V238-I269 HydrophobicContact CG1-CD1 3.57Å; E239-I269 HydrophobicContact CG-CD1 4.2Å; K265-I269 HydrophobicContact CB-CD1 4.41Å; K265-I269 HydrophobicContact CD-CD1 4.22Å; K265-I269 HydrophobicContact CG-CD1 3.75Å; K265-I269 HydrophobicContact CG-CG1 4.17Å; K265-I269 WeakPolarHBondContact O-CG1 3.22Å; K265-I269 PolarHBondContact O-N 3.37Å; L266-I269 PolarHBondContact O-N 2.93Å; I269-S277 PolarHBondContact O-OG 3.21Å; I269-V279 HydrophobicContact CG1-CG2 4.12Å; I269-K280 WeakPolarHBondContact O-CD 3.49Å
270Y94.2Very high93.8Very high3 Ų354.9 Ų54.91%0.01227%0.266CS..Hα-helixtrans-115.8-17.4-174.7-71.8-88.9000114.1V25 I130 C131 I134 L266 K280V25-Y270 HydrophobicContact CG2-CD1 4.44Å; V25-Y270 HydrophobicContact CG2-CD2 3.76Å; V25-Y270 HydrophobicContact CG2-CG 3.63Å; I130-Y270 HydrophobicContact CG2-CE1 4.38Å; I130-Y270 WeakPolarHBondContact CG2-OH 3.07Å; C131-Y270 WeakPolarHBondContact SG-CD1 3.36Å; C131-Y270 WeakPolarHBondContact SG-CE1 3.37Å; I134-Y270 HydrophobicContact CD1-CE2 3.93Å; L266-Y270 HydrophobicContact CD2-CD2 4.16Å; L266-Y270 HydrophobicContact CD2-CE2 3.97Å; L266-Y270 PolarHBondContact O-N 3.14Å; Y270-K280 PolarHBondContact OH-NZ 3.21Å
271G92.6Very high93.7Very high3 Ų361.9 Ų61.93%0.03130%0.296CS..  trans76.9179.5-171.600000112.6D267 K275 L285D267-G271 WeakPolarHBondContact O-CA 3.25Å; D267-G271 PolarHBondContact O-N 3Å; G271-K275 CarbonylContact C-O 3.58Å; G271-K275 WeakPolarHBondContact CA-O 3.48Å; G271-L285 WeakPolarHBondContact O-CD1 3.39Å
272T92.5Very high93.5Very high40 Ų4067.8 Ų67.825%0.24533%0.326CS..  trans-112.8-177.5168.164.90000109.2A24 K274 K275A24-T272 HydrophobicContact CB-CG2 3.77Å; T272-K274 PolarHBondContact O-N 3.32Å; T272-K274 PolarHBondContact OG1-N 3.23Å; T272-K275 CarbonylContact C-O 3.56Å; T272-K275 PolarHBondContact N-O 3.39Å; T272-K275 PolarHBondContact OG1-N 3.35Å
273W89.7Confident93.4Very high103 Ų10368.5 Ų68.539%0.3933%0.328SS..SBendtrans-70.7-21.3171.5-68.3-76.5000113.7A24 T27 L285 P286A24-W273 HydrophobicContact CB-CE3 4.32Å; A24-W273 HydrophobicContact CB-CZ3 4.35Å; T27-W273 WeakPolarHBondContact O-CH2 3.41Å; T27-W273 WeakPolarHBondContact OG1-CH2 3.27Å; T27-W273 WeakPolarHBondContact OG1-CZ3 3.24Å; W273-L285 HydrophobicContact CD2-CD1 4.46Å; W273-P286 PolarHBondContact NE1-O 3.49Å
274K91Very high93.2Very high212 Ų21274.9 Ų74.992%0.92236%0.358SS*.SBendtrans-91.3-38.1178.2-64.1-173.1177.8-172.50112.2T272T272-K274 PolarHBondContact O-N 3.32Å; T272-K274 PolarHBondContact OG1-N 3.23Å
275K92.4Very high93.1Very high117 Ų11768.6 Ų68.651%0.50934%0.335SS..SBendtrans-113.2124.1-177.4-174.3177.4173.4-177.90110.2G271 T272 E278G271-K275 CarbonylContact C-O 3.58Å; G271-K275 WeakPolarHBondContact CA-O 3.48Å; T272-K275 CarbonylContact C-O 3.56Å; T272-K275 PolarHBondContact N-O 3.39Å; T272-K275 PolarHBondContact OG1-N 3.35Å; K275-E278 VanDerWaalsContact CE-OE1 3.22Å; K275-E278 WeakPolarHBondContact CE-OE1 3.46Å; K275-E278 IonicContact NZ-OE1 2.65Å; K275-E278 PolarHBondContact NZ-OE1 2.98Å
276P92.5Very high92.9Very high78 Ų7867 Ų6751%0.50633%0.33SS..  trans-63.9167.3176.429.2-35.4000111.7
277S93.8Very high92.7Very high15 Ų1573.7 Ų73.711%0.10536%0.363CS..  trans-68.8136.7176.4178.80000112I269 V279 K280 W283I269-S277 PolarHBondContact O-OG 3.21Å; S277-V279 PolarHBondContact OG-N 3.24Å; S277-K280 WeakPolarHBondContact OG-CB 3.29Å; S277-K280 PolarHBondContact OG-N 2.82Å; S277-W283 PolarHBondContact N-O 3.03Å
278E93.8Very high92.6Very high119 Ų11974.3 Ų74.356%0.55637%0.369SS*.SBendtrans-77.5-39173.8-66177.4-167.400111.5T268 K275T268-E278 HydrophobicContact CG2-CB 4.27Å; T268-E278 WeakPolarHBondContact CG2-OE2 3.35Å; T268-E278 PolarHBondContact O-N 3.28Å; K275-E278 VanDerWaalsContact CE-OE1 3.22Å; K275-E278 WeakPolarHBondContact CE-OE1 3.46Å; K275-E278 IonicContact NZ-OE1 2.65Å; K275-E278 PolarHBondContact NZ-OE1 2.98Å
279V93.8Very high92.5Very high94 Ų9481.3 Ų81.357%0.5740%0.395SS*.SBendtrans-84.4-35.4-176-177.10000112.3T268 I269 S277T268-V279 HydrophobicContact CG2-CG2 4.44Å; I269-V279 HydrophobicContact CG1-CG2 4.12Å; S277-V279 PolarHBondContact OG-N 3.24Å
280K93.5Very high92.3Very high29 Ų2984.9 Ų84.913%0.12641%0.412CS..SBendtrans-101.799.5-173.9-67.1171.7-175.5155.90110.2R127 I269 Y270 S277 N282 W283R127-K280 HydrophobicContact CG-CD 4.33Å; I269-K280 WeakPolarHBondContact O-CD 3.49Å; Y270-K280 PolarHBondContact OH-NZ 3.21Å; S277-K280 WeakPolarHBondContact OG-CB 3.29Å; S277-K280 PolarHBondContact OG-N 2.82Å; K280-N282 PolarHBondContact O-N 3.41Å; K280-W283 HydrophobicContact CB-CB 3.6Å; K280-W283 HydrophobicContact CB-CG 4.04Å; K280-W283 HydrophobicContact CD-CG 4.31Å; K280-W283 VanDerWaalsContact O-CB 3.26Å; K280-W283 WeakPolarHBondContact O-CB 3.38Å; K280-W283 PolarHBondContact O-N 3.17Å
281K92.8Very high92Very high171 Ų17193.2 Ų93.274%0.74345%0.449SS*.THydrogen-bonded Turntrans-49.4134.3171.8-170.8172.3-177.3174.40111.7R127 W283R127-K281 PolarHBondContact NH1-O 3.3Å; K281-W283 PolarHBondContact O-N 3.45Å
282N91.2Very high91.8Very high144 Ų14498.5 Ų98.577%0.7747%0.469SS*.THydrogen-bonded Turntrans50.740.7178.2-58.6-6.6000113.3K280K280-N282 PolarHBondContact O-N 3.41Å
283W93.2Very high91.7Very high15 Ų15102 Ų1026%0.05749%0.49CS..  trans-117.9132.7177.9-180-104.1000111.3N124 R127 Y128 S277 K280 K281N124-W283 HydrophobicContact CB-CZ3 3.99Å; N124-W283 WeakPolarHBondContact O-CZ3 3.46Å; R127-W283 HydrophobicContact CB-CD2 3.93Å; R127-W283 HydrophobicContact CB-CE3 3.72Å; R127-W283 HydrophobicContact CB-CH2 3.4Å; R127-W283 HydrophobicContact CB-CZ2 3.58Å; R127-W283 HydrophobicContact CB-CZ3 3.47Å; R127-W283 VanDerWaalsContact CB-CZ3 3.47Å; R127-W283 VanDerWaalsContact CD-CE3 3.48Å; R127-W283 HydrophobicContact CG-CD2 4.37Å; R127-W283 HydrophobicContact CG-CE3 4.25Å; R127-W283 HydrophobicContact CG-CZ3 4.43Å; Y128-W283 VanDerWaalsContact N-CH2 3.27Å; S277-W283 PolarHBondContact N-O 3.03Å; K280-W283 HydrophobicContact CB-CB 3.6Å; K280-W283 HydrophobicContact CB-CG 4.04Å; K280-W283 HydrophobicContact CD-CG 4.31Å; K280-W283 VanDerWaalsContact O-CB 3.26Å; K280-W283 WeakPolarHBondContact O-CB 3.38Å; K280-W283 PolarHBondContact O-N 3.17Å; K281-W283 PolarHBondContact O-N 3.45Å
284Q92.3Very high91.7Very high134 Ų134101 Ų10163%0.62649%0.492SS*.  trans-128.5153169.2-70.4179.1-17.600108.8
285L92Very high91.7Very high7 Ų796.4 Ų96.44%0.03747%0.472CS..PPolyproline II helixtrans-63.7138.3173.2-70.8-177.8000110.1A24 V25 V28 G271 W273 M287A24-L285 HydrophobicContact CB-CD1 3.63Å; V25-L285 HydrophobicContact CG2-CD2 4.41Å; V28-L285 HydrophobicContact CG2-CB 4.49Å; V28-L285 HydrophobicContact CG2-CD1 4.38Å; V28-L285 HydrophobicContact CG2-CD2 3.89Å; G271-L285 WeakPolarHBondContact O-CD1 3.39Å; W273-L285 HydrophobicContact CD2-CD1 4.46Å; L285-M287 PolarHBondContact O-N 3.47Å
286P92Very high91.8Very high17 Ų1794.5 Ų94.511%0.1147%0.471CS..PPolyproline II helixtrans-63.4131.8178.227.8-35.4000110.4V28 P29 Y128 W273V28-P286 HydrophobicContact CG1-CG 3.73Å; V28-P286 HydrophobicContact CG2-CG 4.4Å; P29-P286 HydrophobicContact CG-CG 4.45Å; Y128-P286 HydrophobicContact CD1-CG 3.98Å; Y128-P286 HydrophobicContact CD2-CB 3.61Å; Y128-P286 HydrophobicContact CD2-CG 3.88Å; Y128-P286 HydrophobicContact CE1-CB 4.14Å; Y128-P286 HydrophobicContact CE1-CG 3.75Å; Y128-P286 HydrophobicContact CE2-CB 3.15Å; Y128-P286 HydrophobicContact CE2-CG 3.68Å; Y128-P286 HydrophobicContact CG-CB 4.27Å; Y128-P286 HydrophobicContact CG-CG 4.02Å; Y128-P286 VanDerWaalsContact CZ-CB 3.43Å; W273-P286 PolarHBondContact NE1-O 3.49Å
287M90.9Very high91.8Very high142 Ų14298.8 Ų98.870%0.748%0.477SS*.PPolyproline II helixtrans-71.9135.5174.9-66.5-176179.800110L285L285-M287 PolarHBondContact O-N 3.47Å
288P91.7Very high91.8Very high59 Ų59101 Ų10138%0.38349%0.487SS..PPolyproline II helixtrans-67.8136.6173.230.5-34.3000109.5P29 M290P29-P288 HydrophobicContact CG-CB 4.48Å; P288-M290 PolarHBondContact O-N 3.37Å
289K92.2Very high91.8Very high204 Ų204100.2 Ų100.289%0.88749%0.485SS*.SBendtrans-65.2-26.9177.1-69.5-171.2174.5-170.10112.8
290M91Very high91.8Very high76 Ų76104.8 Ų104.837%0.37449%0.492SS..  trans-128.5134.1177.7-65.317972.500108.6P288 F295 L298P288-M290 PolarHBondContact O-N 3.37Å; M290-F295 HydrophobicContact CE-CD1 4.04Å; M290-F295 HydrophobicContact CE-CE1 3.33Å; M290-F295 HydrophobicContact CE-CZ 3.61Å; M290-F295 HydrophobicContact SD-CE1 3.78Å; M290-F295 HydrophobicContact SD-CE2 4.35Å; M290-F295 HydrophobicContact SD-CZ 3.44Å; M290-F295 WeakPolarHBondContact SD-CZ 3.43Å; M290-L298 HydrophobicContact CE-CD1 3.96Å
291K88.3Confident91.9Very high178 Ų178105 Ų10577%0.77450%0.497SS*.SBendtrans-66.7-40.5176-174.1175.7179.21790111.7
292Y88.2Confident92Very high115 Ų115104.7 Ų104.745%0.45150%0.498SS..  trans-113.4127.5176.3-61-70.8000110L298Y292-L298 HydrophobicContact CD2-CD2 4.46Å
293V88.5Confident92.2Very high114 Ų114104.5 Ų104.569%0.69149%0.493SS*.  trans-92.9-17.4-179.9-172.90000111.7F295V293-F295 WeakPolarHBondContact O-CD2 3.47Å; V293-F295 PolarHBondContact O-N 2.85Å; V293-F295 VanDerWaalsContact O-N 3.07Å
294D90.5Very high92.2Very high82 Ų82107.4 Ų107.444%0.43951%0.509SS..  trans-79.392177-173.4-3.9000110.7T296 R297 L298D294-T296 PolarHBondContact O-N 2.95Å; D294-T296 WeakPolarHBondContact OD1-CB 3.35Å; D294-T296 PolarHBondContact OD1-N 3.38Å; D294-T296 PolarHBondContact OD1-OG1 3.22Å; D294-R297 HydrophobicContact CB-CB 4.22Å; D294-R297 PolarHBondContact O-N 3.12Å; D294-R297 PolarHBondContact OD1-N 3.19Å; D294-L298 PolarHBondContact O-N 3.22Å
295F91.6Very high92.3Very high115 Ų115105.1 Ų105.150%0.50450%0.498SS..Hα-helixtrans-61.3-28.9175-70.5-82.4000112.8M290 V293 R297 L298 I299M290-F295 HydrophobicContact CE-CD1 4.04Å; M290-F295 HydrophobicContact CE-CE1 3.33Å; M290-F295 HydrophobicContact CE-CZ 3.61Å; M290-F295 HydrophobicContact SD-CE1 3.78Å; M290-F295 HydrophobicContact SD-CE2 4.35Å; M290-F295 HydrophobicContact SD-CZ 3.44Å; M290-F295 WeakPolarHBondContact SD-CZ 3.43Å; V293-F295 WeakPolarHBondContact O-CD2 3.47Å; V293-F295 PolarHBondContact O-N 2.85Å; V293-F295 VanDerWaalsContact O-N 3.07Å; F295-R297 VanDerWaalsContact C-N 3.35Å; F295-L298 PolarHBondContact O-N 2.97Å; F295-I299 WeakPolarHBondContact O-CB 3.23Å; F295-I299 VanDerWaalsContact O-CG1 3.28Å; F295-I299 WeakPolarHBondContact O-CG1 3.29Å; F295-I299 PolarHBondContact O-N 3.02Å
296T94.6Very high92.5Very high77 Ų77114.1 Ų114.147%0.47254%0.537SS..Hα-helixtrans-68.1-39.8-178.670.20000110.9D294 R300D294-T296 PolarHBondContact O-N 2.95Å; D294-T296 WeakPolarHBondContact OD1-CB 3.35Å; D294-T296 PolarHBondContact OD1-N 3.38Å; D294-T296 PolarHBondContact OD1-OG1 3.22Å; T296-R300 VanDerWaalsContact O-CB 3.29Å; T296-R300 WeakPolarHBondContact O-CB 3.38Å; T296-R300 VanDerWaalsContact O-CG 3.25Å; T296-R300 WeakPolarHBondContact O-CG 3.47Å; T296-R300 PolarHBondContact O-N 3.49Å; T296-R300 VanDerWaalsContact O-N 3.08Å
297R92.9Very high92.6Very high168 Ų168119.4 Ų119.463%0.63457%0.569SS**Hα-helixtrans-63.2-44172.4-178176.8177174.30.8112D294 F295 R300 S301D294-R297 HydrophobicContact CB-CB 4.22Å; D294-R297 PolarHBondContact O-N 3.12Å; D294-R297 PolarHBondContact OD1-N 3.19Å; F295-R297 VanDerWaalsContact C-N 3.35Å; R297-R300 PolarHBondContact O-N 3.35Å; R297-S301 PolarHBondContact O-N 3.04Å; R297-S301 VanDerWaalsContact O-N 3.17Å
298L92.9Very high92.8Very high62 Ų62117.5 Ų117.533%0.32556%0.561SS.*Hα-helixtrans-62-51.8178.4-69.7172.8000111.1M290 Y292 D294 F295 R300 S301 I304M290-L298 HydrophobicContact CE-CD1 3.96Å; Y292-L298 HydrophobicContact CD2-CD2 4.46Å; D294-L298 PolarHBondContact O-N 3.22Å; F295-L298 PolarHBondContact O-N 2.97Å; L298-R300 VanDerWaalsContact C-N 3.25Å; L298-R300 PolarHBondContact O-N 3.02Å; L298-S301 VanDerWaalsContact O-CB 3.28Å; L298-S301 WeakPolarHBondContact O-CB 3.13Å; L298-S301 PolarHBondContact O-N 2.9Å; L298-S301 VanDerWaalsContact O-N 3.1Å; L298-S301 PolarHBondContact O-OG 2.96Å; L298-I304 VanDerWaalsContact O-CD1 3.23Å; L298-I304 WeakPolarHBondContact O-CD1 3.13Å
299I93Very high92.8Very high101 Ų101123.6 Ų123.652%0.51858%0.576SS.*Hα-helixtrans-62-35.2-177.8-68.3166.7000111.7F295 S301 Q305F295-I299 WeakPolarHBondContact O-CB 3.23Å; F295-I299 VanDerWaalsContact O-CG1 3.28Å; F295-I299 WeakPolarHBondContact O-CG1 3.29Å; F295-I299 PolarHBondContact O-N 3.02Å; I299-S301 VanDerWaalsContact C-N 3.3Å; I299-Q305 PolarHBondContact O-NE2 2.86Å
300R94.2Very high92.7Very high191 Ų191119.3 Ų119.372%0.72157%0.569SS**THydrogen-bonded Turntrans-85.51.4179.9-68.8176.8175.9172.3-1.8113.9T296 R297 L298T296-R300 VanDerWaalsContact O-CB 3.29Å; T296-R300 WeakPolarHBondContact O-CB 3.38Å; T296-R300 VanDerWaalsContact O-CG 3.25Å; T296-R300 WeakPolarHBondContact O-CG 3.47Å; T296-R300 PolarHBondContact O-N 3.49Å; T296-R300 VanDerWaalsContact O-N 3.08Å; R297-R300 PolarHBondContact O-N 3.35Å; L298-R300 VanDerWaalsContact C-N 3.25Å; L298-R300 PolarHBondContact O-N 3.02Å
301S95.1Very high92.7Very high32 Ų32127.3 Ų127.322%0.22460%0.595CS.*SBendtrans-66147.6179.990.90000110.5R297 L298 I299 E303 I304 Q305R297-S301 PolarHBondContact O-N 3.04Å; R297-S301 VanDerWaalsContact O-N 3.17Å; L298-S301 VanDerWaalsContact O-CB 3.28Å; L298-S301 WeakPolarHBondContact O-CB 3.13Å; L298-S301 PolarHBondContact O-N 2.9Å; L298-S301 VanDerWaalsContact O-N 3.1Å; L298-S301 PolarHBondContact O-OG 2.96Å; I299-S301 VanDerWaalsContact C-N 3.3Å; S301-E303 WeakPolarHBondContact CB-OE2 3.45Å; S301-E303 PolarHBondContact O-N 2.77Å; S301-E303 PolarHBondContact OG-OE2 3.39Å; S301-I304 PolarHBondContact O-N 3.42Å; S301-I304 VanDerWaalsContact O-N 3.14Å; S301-Q305 WeakPolarHBondContact O-CG 3.32Å; S301-Q305 PolarHBondContact O-N 3.13Å
302E96Very high92.7Very high165 Ų165125.6 Ų125.677%0.77159%0.592SS**Hα-helixtrans-60-35.9-176.5-67.8177.3-171.900111.5I304 Q305 K306E302-I304 VanDerWaalsContact C-N 3.31Å; E302-I304 PolarHBondContact O-N 2.93Å; E302-Q305 PolarHBondContact O-N 2.91Å; E302-K306 WeakPolarHBondContact O-CB 3.46Å; E302-K306 PolarHBondContact O-N 3.48Å
303E94.5Very high92.7Very high140 Ų140129.5 Ų129.565%0.65461%0.611SS**Hα-helixtrans-61-40.9178.8-50.58915900111.3S301S301-E303 WeakPolarHBondContact CB-OE2 3.45Å; S301-E303 PolarHBondContact O-N 2.77Å; S301-E303 PolarHBondContact OG-OE2 3.39Å
304I94Very high92.6Very high76 Ų76129.4 Ų129.439%0.3961%0.613SS.*Hα-helixtrans-76.1-46.4176.5-62.3-167000110.4L298 S301 E302 K306 V307 L308L298-I304 VanDerWaalsContact O-CD1 3.23Å; L298-I304 WeakPolarHBondContact O-CD1 3.13Å; S301-I304 PolarHBondContact O-N 3.42Å; S301-I304 VanDerWaalsContact O-N 3.14Å; E302-I304 VanDerWaalsContact C-N 3.31Å; E302-I304 PolarHBondContact O-N 2.93Å; I304-K306 VanDerWaalsContact C-N 3.3Å; I304-K306 PolarHBondContact O-N 3.39Å; I304-V307 PolarHBondContact O-N 3.33Å; I304-L308 WeakPolarHBondContact O-CB 3.32Å; I304-L308 PolarHBondContact O-N 2.76Å
305Q94.9Very high92.3Very high87 Ų87137.4 Ų137.441%0.40764%0.637SS.*Hα-helixtrans-64.3-34.1-176.1-68.6-61-44.500112.6I299 S301 E302 V307 L308I299-Q305 PolarHBondContact O-NE2 2.86Å; S301-Q305 WeakPolarHBondContact O-CG 3.32Å; S301-Q305 PolarHBondContact O-N 3.13Å; E302-Q305 PolarHBondContact O-N 2.91Å; Q305-V307 VanDerWaalsContact C-N 3.31Å; Q305-V307 PolarHBondContact O-N 2.68Å; Q305-L308 PolarHBondContact O-N 3.41Å
306K95.4Very high91.8Very high195 Ų195143.1 Ų143.185%0.84866%0.655SS**Hα-helixtrans-64.1-33.9177.1-175.2175.8-179.3178.20113E302 I304E302-K306 WeakPolarHBondContact O-CB 3.46Å; E302-K306 PolarHBondContact O-N 3.48Å; I304-K306 VanDerWaalsContact C-N 3.3Å; I304-K306 PolarHBondContact O-N 3.39Å
307V95Very high91.2Very high128 Ų128144.1 Ų144.178%0.77667%0.671SS**Hα-helixtrans-90.3-21.9-179.2-177.80000111.7I304 Q305 R309I304-V307 PolarHBondContact O-N 3.33Å; Q305-V307 VanDerWaalsContact C-N 3.31Å; Q305-V307 PolarHBondContact O-N 2.68Å; V307-R309 PolarHBondContact O-N 3.39Å
308L93.9Very high90.5Very high102 Ų102147.8 Ų147.853%0.53469%0.685SS.*SBendtrans-69.1121.1-175.8-167.574.4000111.3I304 Q305I304-L308 WeakPolarHBondContact O-CB 3.32Å; I304-L308 PolarHBondContact O-N 2.76Å; Q305-L308 PolarHBondContact O-N 3.41Å
309R92.7Very high89.8Confident188 Ų188156.4 Ų156.471%0.70971%0.713SS**PPolyproline II helixtrans-57.9147.4170.666.8-179.9177.8-179.2-2.9111.4V307 R311V307-R309 PolarHBondContact O-N 3.39Å; R309-R311 PolarHBondContact O-N 3.21Å
310P90.5Very high89.3Confident114 Ų114161.1 Ų161.174%0.7473%0.73SS**PPolyproline II helixtrans-57.3143.5174.224.2-33.9000110.8M312P310-M312 PolarHBondContact O-N 3.27Å; P310-M312 VanDerWaalsContact O-N 3.08Å
311R90.9Very high88.7Confident243 Ų243164 Ų16492%0.91774%0.741SS**  trans-60.9115-179.1-177179.8178.5-1780.7110.2R309 K313R309-R311 PolarHBondContact O-N 3.21Å; R311-K313 PolarHBondContact O-N 3.33Å
312M88.6Confident88.4Confident143 Ų143169.3 Ų169.370%0.70476%0.76SS**PPolyproline II helixtrans-69.9132.1174.8-62.5-177.679.100110.3P310P310-M312 PolarHBondContact O-N 3.27Å; P310-M312 VanDerWaalsContact O-N 3.08Å
313K87.8Confident88.1Confident196 Ų196164.7 Ų164.785%0.85274%0.74SS**PPolyproline II helixtrans-65.4134.9171-67.4179.8-178.1174.90108.6R311 R315R311-K313 PolarHBondContact O-N 3.33Å; K313-R315 PolarHBondContact O-N 2.94Å
314P86.7Confident87.9Confident113 Ų113159.7 Ų159.773%0.73472%0.72SS**PPolyproline II helixtrans-59.4138.8175.725.4-33.1000109.6R316P314-R316 PolarHBondContact O-N 3.22Å; P314-R316 VanDerWaalsContact O-N 3.14Å
315R83.4Confident87.6Confident250 Ų250162.7 Ų162.794%0.94374%0.736SS**PPolyproline II helixtrans-61118.9174.3-74.2-177.2173-178.2-1.8108.2K313K313-R315 PolarHBondContact O-N 2.94Å
316R81.9Confident87.3Confident235 Ų235167.3 Ų167.389%0.88776%0.755SS**PPolyproline II helixtrans-64140.8171.6-68.5-177.6177.1-179-2.3108.6P314 R318P314-R316 PolarHBondContact O-N 3.22Å; P314-R316 VanDerWaalsContact O-N 3.14Å; R316-R318 PolarHBondContact O-N 3.45Å
317A81.7Confident87Confident97 Ų97159.8 Ų159.880%0.80273%0.726SS**PPolyproline II helixtrans-52.6133.717200000109.5R319A317-R319 PolarHBondContact O-N 2.65Å
318R77.7Confident86.6Confident245 Ų245157.4 Ų157.493%0.92571%0.705SS**PPolyproline II helixtrans-60.4128.7175.6-70.9-178175.2-179-1.8108.1R316R316-R318 PolarHBondContact O-N 3.45Å
319R78.2Confident86.5Confident243 Ų243156 Ų15692%0.91771%0.709SS**PPolyproline II helixtrans-59.4142170.1-68.3-179.6175.5-177.9-2.6108.2A317 R321A317-R319 PolarHBondContact O-N 2.65Å; R319-R321 PolarHBondContact O-N 3.06Å
320K81.5Confident86.4Confident201 Ų201149 Ų14987%0.87469%0.685SS**PPolyproline II helixtrans-52.6129.7175.4-67.2-174.9178.9-177.30109.3K322K320-K322 PolarHBondContact O-N 3.29Å
321R83.5Confident86.5Confident250 Ų250145.6 Ų145.694%0.94366%0.66SS**PPolyproline II helixtrans-62.3116.2177.5-173177.3178.5178.7-0.6108R319R319-R321 PolarHBondContact O-N 3.06Å
322K87.8Confident86.5Confident145 Ų145141.7 Ų141.763%0.6365%0.645SS**PPolyproline II helixtrans-81.3146.5174.2-64.6-178.6179.1-173.90108.9K320 L330K320-K322 PolarHBondContact O-N 3.29Å; K322-L330 HydrophobicContact CB-CD2 3.97Å; K322-L330 WeakPolarHBondContact O-CD2 3.41Å
323D89.7Confident86.6Confident68 Ų68142.2 Ų142.236%0.36465%0.646SS.*PPolyproline II helixtrans-77.4120.2175.2178.9-5.3000109.8L325 K326 C327D323-L325 VanDerWaalsContact C-N 3.27Å; D323-L325 PolarHBondContact O-N 3.18Å; D323-L325 WeakPolarHBondContact OD1-CB 3.46Å; D323-L325 PolarHBondContact OD1-N 2.95Å; D323-K326 HydrophobicContact CB-CB 4.25Å; D323-K326 HydrophobicContact CB-CD 4.31Å; D323-K326 HydrophobicContact CB-CG 4.28Å; D323-K326 PolarHBondContact O-N 3.14Å; D323-C327 WeakPolarHBondContact O-CB 3.37Å; D323-C327 PolarHBondContact O-N 3.25Å
324P89.8Confident86.8Confident34 Ų34138.5 Ų138.522%0.22164%0.635CS.*THydrogen-bonded Turntrans-65.8-27.1-179.627.2-34000113K326 C327 L330 M331 L334P324-K326 VanDerWaalsContact C-N 3.3Å; P324-K326 PolarHBondContact O-N 3.13Å; P324-C327 CarbonylContact O-C 3.49Å; P324-C327 PolarHBondContact O-N 3.46Å; P324-L330 HydrophobicContact CB-CD2 4.14Å; P324-L330 HydrophobicContact CB-CG 4.27Å; P324-M331 HydrophobicContact CB-CB 4.26Å; P324-M331 HydrophobicContact CB-CE 3.91Å; P324-M331 HydrophobicContact CB-SD 4.25Å; P324-M331 HydrophobicContact CG-CE 4.37Å; P324-M331 WeakPolarHBondContact O-CB 3.46Å; P324-L334 HydrophobicContact CB-CD1 3.9Å; P324-L334 HydrophobicContact CG-CD1 4.14Å
325L87.7Confident87Confident139 Ų139136.8 Ų136.873%0.72862%0.619SS**THydrogen-bonded Turntrans-69.1-32.8177.1-63.6171.1000111.5D323 M331D323-L325 VanDerWaalsContact C-N 3.27Å; D323-L325 PolarHBondContact O-N 3.18Å; D323-L325 WeakPolarHBondContact OD1-CB 3.46Å; D323-L325 PolarHBondContact OD1-N 2.95Å; L325-M331 HydrophobicContact CD2-CE 3.56Å; L325-M331 HydrophobicContact CG-CE 4.21Å
326K88.9Confident87.4Confident185 Ų185129.1 Ų129.180%0.80460%0.602SS**THydrogen-bonded Turntrans-84.9-29.8175.6-63.7-177.8-178-176.50113D323 P324D323-K326 HydrophobicContact CB-CB 4.25Å; D323-K326 HydrophobicContact CB-CD 4.31Å; D323-K326 HydrophobicContact CB-CG 4.28Å; D323-K326 PolarHBondContact O-N 3.14Å; P324-K326 VanDerWaalsContact C-N 3.3Å; P324-K326 PolarHBondContact O-N 3.13Å
327C89Confident87.8Confident36 Ų36123 Ų12324%0.24358%0.58CS.*  trans-11493-177.6-1740000111.2D323 P324 A329 L330 M331D323-C327 WeakPolarHBondContact O-CB 3.37Å; D323-C327 PolarHBondContact O-N 3.25Å; P324-C327 CarbonylContact O-C 3.49Å; P324-C327 PolarHBondContact O-N 3.46Å; C327-A329 PolarHBondContact O-N 2.77Å; C327-A329 VanDerWaalsContact O-N 3.14Å; C327-L330 HydrophobicContact CB-CB 4.14Å; C327-L330 WeakPolarHBondContact O-CA 3.34Å; C327-L330 WeakPolarHBondContact O-CB 3.38Å; C327-L330 PolarHBondContact O-N 2.97Å; C327-M331 PolarHBondContact O-N 3.38Å
328F87.6Confident88.2Confident78 Ų78119.1 Ų119.134%0.34255%0.548SS..Hα-helixtrans-59.6-28.8-178.2-175.4-104.5000113.8L330 M331 R332 K342F328-L330 VanDerWaalsContact C-N 3.31Å; F328-L330 PolarHBondContact O-N 2.98Å; F328-M331 HydrophobicContact CD2-CB 4.44Å; F328-M331 PolarHBondContact O-N 3Å; F328-R332 VanDerWaalsContact O-CB 3.32Å; F328-R332 WeakPolarHBondContact O-CB 3.25Å; F328-R332 PolarHBondContact O-N 3.26Å; F328-K342 HydrophobicContact CD2-CD 3.71Å; F328-K342 HydrophobicContact CE1-CD 4.28Å; F328-K342 HydrophobicContact CE2-CB 4.1Å; F328-K342 HydrophobicContact CE2-CD 3.33Å; F328-K342 HydrophobicContact CE2-CG 4.35Å; F328-K342 HydrophobicContact CG-CD 4.33Å; F328-K342 HydrophobicContact CZ-CB 4.29Å; F328-K342 HydrophobicContact CZ-CD 3.65Å
329A91.1Very high88.8Confident74 Ų74109.6 Ų109.661%0.61252%0.519SS*.Hα-helixtrans-61.7-40.1173.300000111.9C327 Q333C327-A329 PolarHBondContact O-N 2.77Å; C327-A329 VanDerWaalsContact O-N 3.14Å; A329-Q333 PolarHBondContact O-N 3.42Å; A329-Q333 VanDerWaalsContact O-N 3.1Å
330L91Very high89.3Confident40 Ų40101.7 Ų101.721%0.20950%0.497CS..Hα-helixtrans-71.8-41.1174.3-174.870.1000111.2K322 P324 C327 F328 R332 Q333 L334K322-L330 HydrophobicContact CB-CD2 3.97Å; K322-L330 WeakPolarHBondContact O-CD2 3.41Å; P324-L330 HydrophobicContact CB-CD2 4.14Å; P324-L330 HydrophobicContact CB-CG 4.27Å; C327-L330 HydrophobicContact CB-CB 4.14Å; C327-L330 WeakPolarHBondContact O-CA 3.34Å; C327-L330 WeakPolarHBondContact O-CB 3.38Å; C327-L330 PolarHBondContact O-N 2.97Å; F328-L330 VanDerWaalsContact C-N 3.31Å; F328-L330 PolarHBondContact O-N 2.98Å; L330-R332 VanDerWaalsContact C-N 3.3Å; L330-R332 PolarHBondContact O-N 3.35Å; L330-Q333 WeakPolarHBondContact O-CB 3.24Å; L330-Q333 PolarHBondContact O-N 2.91Å; L330-Q333 VanDerWaalsContact O-N 3.14Å; L330-L334 HydrophobicContact CD1-CD1 4.5Å; L330-L334 HydrophobicContact CD1-CG 4.47Å; L330-L334 HydrophobicContact CD2-CD1 4.45Å; L330-L334 HydrophobicContact CG-CD1 4.04Å; L330-L334 HydrophobicContact CG-CG 4.38Å; L330-L334 WeakPolarHBondContact O-CG 3.36Å; L330-L334 PolarHBondContact O-N 2.79Å
331M91.7Very high89.7Confident42 Ų4294.7 Ų94.721%0.20747%0.471CS..Hα-helixtrans-58.4-44.1174.4-1756180.900111.6P324 L325 C327 F328 Q333 L334 N335 A338P324-M331 HydrophobicContact CB-CB 4.26Å; P324-M331 HydrophobicContact CB-CE 3.91Å; P324-M331 HydrophobicContact CB-SD 4.25Å; P324-M331 HydrophobicContact CG-CE 4.37Å; P324-M331 WeakPolarHBondContact O-CB 3.46Å; L325-M331 HydrophobicContact CD2-CE 3.56Å; L325-M331 HydrophobicContact CG-CE 4.21Å; C327-M331 PolarHBondContact O-N 3.38Å; F328-M331 HydrophobicContact CD2-CB 4.44Å; F328-M331 PolarHBondContact O-N 3Å; M331-Q333 VanDerWaalsContact C-N 3.28Å; M331-Q333 PolarHBondContact O-N 3.41Å; M331-L334 PolarHBondContact O-N 3.13Å; M331-N335 CarbonylContact O-C 3.58Å; M331-N335 WeakPolarHBondContact O-CA 3.43Å; M331-N335 PolarHBondContact O-N 3.23Å; M331-N335 HydrophobicContact SD-CB 4.45Å; M331-A338 HydrophobicContact CG-CB 3.54Å; M331-A338 HydrophobicContact SD-CB 4.38Å
332R91.2Very high89.9Confident161 Ų16187.6 Ų87.661%0.60845%0.447SS*.Hα-helixtrans-63.1-36.2176.8-177.8-177.8175.9-168.8-1.5111.9F328 L330 N335 P336F328-R332 VanDerWaalsContact O-CB 3.32Å; F328-R332 WeakPolarHBondContact O-CB 3.25Å; F328-R332 PolarHBondContact O-N 3.26Å; L330-R332 VanDerWaalsContact C-N 3.3Å; L330-R332 PolarHBondContact O-N 3.35Å; R332-N335 CarbonylContact O-C 3.42Å; R332-P336 WeakPolarHBondContact O-CA 3.07Å
333Q90.7Very high89.9Confident155 Ų15589.6 Ų89.672%0.72445%0.451SS*.Hα-helixtrans-69.3-38.3176.2-170.5179.84.700112.2A329 L330 M331A329-Q333 PolarHBondContact O-N 3.42Å; A329-Q333 VanDerWaalsContact O-N 3.1Å; L330-Q333 WeakPolarHBondContact O-CB 3.24Å; L330-Q333 PolarHBondContact O-N 2.91Å; L330-Q333 VanDerWaalsContact O-N 3.14Å; M331-Q333 VanDerWaalsContact C-N 3.28Å; M331-Q333 PolarHBondContact O-N 3.41Å
334L91.7Very high89.9Confident118 Ų11887.4 Ų87.462%0.61844%0.441SS*.Hα-helixtrans-81.5-39180-67.1174.9000113P324 L330 M331P324-L334 HydrophobicContact CB-CD1 3.9Å; P324-L334 HydrophobicContact CG-CD1 4.14Å; L330-L334 HydrophobicContact CD1-CD1 4.5Å; L330-L334 HydrophobicContact CD1-CG 4.47Å; L330-L334 HydrophobicContact CD2-CD1 4.45Å; L330-L334 HydrophobicContact CG-CD1 4.04Å; L330-L334 HydrophobicContact CG-CG 4.38Å; L330-L334 WeakPolarHBondContact O-CG 3.36Å; L330-L334 PolarHBondContact O-N 2.79Å; M331-L334 PolarHBondContact O-N 3.13Å
335N91.2Very high89.8Confident76 Ų7688.4 Ų88.441%0.40645%0.452SS..  trans-13793.6-179.9-176.8-6.1000110M331 R332 Y337 A338M331-N335 CarbonylContact O-C 3.58Å; M331-N335 WeakPolarHBondContact O-CA 3.43Å; M331-N335 PolarHBondContact O-N 3.23Å; M331-N335 HydrophobicContact SD-CB 4.45Å; R332-N335 CarbonylContact O-C 3.42Å; N335-Y337 PolarHBondContact O-N 2.96Å; N335-Y337 VanDerWaalsContact O-N 3.16Å; N335-Y337 VanDerWaalsContact OD1-CB 3.25Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.32Å; N335-Y337 PolarHBondContact OD1-N 2.77Å; N335-A338 HydrophobicContact CB-CB 4.39Å; N335-A338 WeakPolarHBondContact O-CB 3.46Å; N335-A338 PolarHBondContact O-N 3.41Å; N335-A338 PolarHBondContact OD1-N 3.26Å
336P92.8Very high90Very high90 Ų9085.7 Ų85.758%0.58444%0.437SS*.THydrogen-bonded Turntrans-56.1-31.5177.6-26.935.3000113.6R332 A338 S339R332-P336 WeakPolarHBondContact O-CA 3.07Å; P336-A338 PolarHBondContact O-N 3.44Å; P336-S339 WeakPolarHBondContact O-CB 3.27Å; P336-S339 PolarHBondContact O-N 3.34Å; P336-S339 VanDerWaalsContact O-N 3.14Å; P336-S339 PolarHBondContact O-OG 2.95Å
337Y89.4Confident90Very high105 Ų10580.8 Ų80.841%0.41242%0.42SS..Hα-helixtrans-65.9-21.7178.7-167.2-107.4000112.8N335 S339 V340 V341N335-Y337 PolarHBondContact O-N 2.96Å; N335-Y337 VanDerWaalsContact O-N 3.16Å; N335-Y337 VanDerWaalsContact OD1-CB 3.25Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.32Å; N335-Y337 PolarHBondContact OD1-N 2.77Å; Y337-S339 PolarHBondContact O-N 2.8Å; Y337-S339 VanDerWaalsContact O-N 3.11Å; Y337-V340 HydrophobicContact CD2-CB 4.12Å; Y337-V340 HydrophobicContact CD2-CG2 4.26Å; Y337-V340 HydrophobicContact CE2-CB 4.16Å; Y337-V340 HydrophobicContact CE2-CG1 4.12Å; Y337-V340 WeakPolarHBondContact O-CB 3.15Å; Y337-V340 PolarHBondContact O-N 3.29Å; Y337-V341 HydrophobicContact CD1-CG2 3.47Å; Y337-V341 VanDerWaalsContact CD1-CG2 3.47Å; Y337-V341 HydrophobicContact CE1-CG2 3.31Å; Y337-V341 HydrophobicContact CG-CG2 4.44Å; Y337-V341 PolarHBondContact O-N 3.29Å
338A90.3Very high90.1Very high16 Ų1680.3 Ų80.313%0.13241%0.414CS..Hα-helixtrans-57.3-27.3173.100000112.6M331 N335 P336 K342M331-A338 HydrophobicContact CG-CB 3.54Å; M331-A338 HydrophobicContact SD-CB 4.38Å; N335-A338 HydrophobicContact CB-CB 4.39Å; N335-A338 WeakPolarHBondContact O-CB 3.46Å; N335-A338 PolarHBondContact O-N 3.41Å; N335-A338 PolarHBondContact OD1-N 3.26Å; P336-A338 PolarHBondContact O-N 3.44Å; A338-K342 VanDerWaalsContact O-CB 3.24Å; A338-K342 WeakPolarHBondContact O-CB 3.14Å; A338-K342 PolarHBondContact O-N 3.04Å
339S90.3Very high90.1Very high45 Ų4582 Ų8232%0.31542%0.423SS..Hα-helixtrans-68.2-40.5173.369.10000113.4P336 Y337 R343P336-S339 WeakPolarHBondContact O-CB 3.27Å; P336-S339 PolarHBondContact O-N 3.34Å; P336-S339 VanDerWaalsContact O-N 3.14Å; P336-S339 PolarHBondContact O-OG 2.95Å; Y337-S339 PolarHBondContact O-N 2.8Å; Y337-S339 VanDerWaalsContact O-N 3.11Å; S339-R343 WeakPolarHBondContact O-CB 3.04Å; S339-R343 PolarHBondContact O-N 2.92Å
340V89.2Confident90.1Very high77 Ų7784.4 Ų84.447%0.46742%0.42SS..Hα-helixtrans-67.9-45.8176.9-177.80000110Y337 R343 S344Y337-V340 HydrophobicContact CD2-CB 4.12Å; Y337-V340 HydrophobicContact CD2-CG2 4.26Å; Y337-V340 HydrophobicContact CE2-CB 4.16Å; Y337-V340 HydrophobicContact CE2-CG1 4.12Å; Y337-V340 WeakPolarHBondContact O-CB 3.15Å; Y337-V340 PolarHBondContact O-N 3.29Å; V340-R343 PolarHBondContact O-N 3.32Å; V340-S344 WeakPolarHBondContact O-CB 3.19Å; V340-S344 PolarHBondContact O-N 3.02Å; V340-S344 PolarHBondContact O-OG 2.83Å
341V88.6Confident89.9Confident54 Ų5483.2 Ų83.233%0.32742%0.416SS..Hα-helixtrans-63.3-44.3178.5177.50000111.6Y337 R343 S344 A345Y337-V341 HydrophobicContact CD1-CG2 3.47Å; Y337-V341 VanDerWaalsContact CD1-CG2 3.47Å; Y337-V341 HydrophobicContact CE1-CG2 3.31Å; Y337-V341 HydrophobicContact CG-CG2 4.44Å; Y337-V341 PolarHBondContact O-N 3.29Å; V341-R343 VanDerWaalsContact C-N 3.34Å; V341-R343 PolarHBondContact O-N 3.49Å; V341-S344 PolarHBondContact O-N 3.38Å; V341-S344 PolarHBondContact O-OG 3.08Å; V341-A345 WeakPolarHBondContact O-CB 2.96Å; V341-A345 PolarHBondContact O-N 3.46Å
342K88.2Confident89.7Confident102 Ų10287.7 Ų87.744%0.44343%0.43SS..Hα-helixtrans-62.9-41.9177-169.6172.3-178.7177.30111.3F328 A338 A345 I346F328-K342 HydrophobicContact CD2-CD 3.71Å; F328-K342 HydrophobicContact CE1-CD 4.28Å; F328-K342 HydrophobicContact CE2-CB 4.1Å; F328-K342 HydrophobicContact CE2-CD 3.33Å; F328-K342 HydrophobicContact CE2-CG 4.35Å; F328-K342 HydrophobicContact CG-CD 4.33Å; F328-K342 HydrophobicContact CZ-CB 4.29Å; F328-K342 HydrophobicContact CZ-CD 3.65Å; A338-K342 VanDerWaalsContact O-CB 3.24Å; A338-K342 WeakPolarHBondContact O-CB 3.14Å; A338-K342 PolarHBondContact O-N 3.04Å; K342-A345 PolarHBondContact O-N 3.3Å; K342-I346 HydrophobicContact CG-CD1 4.26Å; K342-I346 WeakPolarHBondContact O-CD1 3.27Å; K342-I346 VanDerWaalsContact O-CG1 3.27Å; K342-I346 WeakPolarHBondContact O-CG1 3.41Å; K342-I346 PolarHBondContact O-N 2.82Å; K342-I346 VanDerWaalsContact O-N 3.09Å
343R88.7Confident89.5Confident187 Ų18784.4 Ų84.471%0.70642%0.422SS*.Hα-helixtrans-65.5-43176.5-170.7173.5-175.9170.71.2112.1S339 V340 V341 A345 I346 L347S339-R343 WeakPolarHBondContact O-CB 3.04Å; S339-R343 PolarHBondContact O-N 2.92Å; V340-R343 PolarHBondContact O-N 3.32Å; V341-R343 VanDerWaalsContact C-N 3.34Å; V341-R343 PolarHBondContact O-N 3.49Å; R343-A345 VanDerWaalsContact C-N 3.35Å; R343-I346 PolarHBondContact O-N 3.13Å; R343-L347 HydrophobicContact CG-CD1 4.49Å; R343-L347 WeakPolarHBondContact O-CG 3.14Å; R343-L347 PolarHBondContact O-N 3.39Å; R343-L347 VanDerWaalsContact O-N 3.09Å
344S88.4Confident89.3Confident22 Ų2281.8 Ų81.815%0.15441%0.413CS..Hα-helixtrans-66.1-37.1178.369.90000112.1V340 V341 L347 L348V340-S344 WeakPolarHBondContact O-CB 3.19Å; V340-S344 PolarHBondContact O-N 3.02Å; V340-S344 PolarHBondContact O-OG 2.83Å; V341-S344 PolarHBondContact O-N 3.38Å; V341-S344 PolarHBondContact O-OG 3.08Å; S344-L347 PolarHBondContact O-N 3.34Å; S344-L348 WeakPolarHBondContact O-CB 3.22Å; S344-L348 PolarHBondContact O-N 3.22Å
345A89.1Confident88.9Confident54 Ų5476.7 Ų76.745%0.44639%0.387SS..Hα-helixtrans-63.6-44.9174.100000112.6V341 K342 R343 L347 L348 Q349V341-A345 WeakPolarHBondContact O-CB 2.96Å; V341-A345 PolarHBondContact O-N 3.46Å; K342-A345 PolarHBondContact O-N 3.3Å; R343-A345 VanDerWaalsContact C-N 3.35Å; A345-L347 PolarHBondContact O-N 3.46Å; A345-L348 PolarHBondContact O-N 3.09Å; A345-Q349 PolarHBondContact O-N 3.41Å
346I90.8Very high88.6Confident82 Ų8281.5 Ų81.542%0.42140%0.4SS..Hα-helixtrans-59.9-46176.1-68.9163.5000111K342 R343 L348 Q349 K350K342-I346 HydrophobicContact CG-CD1 4.26Å; K342-I346 WeakPolarHBondContact O-CD1 3.27Å; K342-I346 VanDerWaalsContact O-CG1 3.27Å; K342-I346 WeakPolarHBondContact O-CG1 3.41Å; K342-I346 PolarHBondContact O-N 2.82Å; K342-I346 VanDerWaalsContact O-N 3.09Å; R343-I346 PolarHBondContact O-N 3.13Å; I346-L348 VanDerWaalsContact C-N 3.34Å; I346-L348 PolarHBondContact O-N 2.93Å; I346-Q349 PolarHBondContact O-N 3.39Å; I346-K350 PolarHBondContact O-N 2.9Å
347L90.1Very high88.2Confident83 Ų8382 Ų8244%0.43539%0.394SS..Hα-helixtrans-64-38.6178.5-69.9175.3000112.2R343 S344 A345 A351R343-L347 HydrophobicContact CG-CD1 4.49Å; R343-L347 WeakPolarHBondContact O-CG 3.14Å; R343-L347 PolarHBondContact O-N 3.39Å; R343-L347 VanDerWaalsContact O-N 3.09Å; S344-L347 PolarHBondContact O-N 3.34Å; A345-L347 PolarHBondContact O-N 3.46Å; L347-A351 WeakPolarHBondContact O-CB 3.4Å; L347-A351 PolarHBondContact O-N 3.03Å; L347-A351 VanDerWaalsContact O-N 3.08Å
348L89.2Confident87.9Confident25 Ų2580.8 Ų80.813%0.13139%0.391CS..Hα-helixtrans-64.5-39.8175.6-174.872.8000111.9S344 A345 I346 A351 R352 V373 A377S344-L348 WeakPolarHBondContact O-CB 3.22Å; S344-L348 PolarHBondContact O-N 3.22Å; A345-L348 PolarHBondContact O-N 3.09Å; I346-L348 VanDerWaalsContact C-N 3.34Å; I346-L348 PolarHBondContact O-N 2.93Å; L348-A351 PolarHBondContact O-N 3.11Å; L348-R352 WeakPolarHBondContact O-CG 3.46Å; L348-R352 PolarHBondContact O-N 3.47Å; L348-V373 HydrophobicContact CB-CG1 4.4Å; L348-V373 HydrophobicContact CD1-CG1 3.95Å; L348-A377 HydrophobicContact CB-CB 4.4Å; L348-A377 HydrophobicContact CD1-CB 4.09Å; L348-A377 HydrophobicContact CD2-CB 3.7Å; L348-A377 HydrophobicContact CG-CB 4.28Å
349Q89Confident87.4Confident114 Ų11483 Ų8353%0.53340%0.402SS..Hα-helixtrans-65.5-48.2178.1-175.4178-1500111.6A345 I346 A351 R352 E353A345-Q349 PolarHBondContact O-N 3.41Å; I346-Q349 PolarHBondContact O-N 3.39Å; Q349-A351 VanDerWaalsContact C-N 3.27Å; Q349-A351 PolarHBondContact O-N 3Å; Q349-R352 WeakPolarHBondContact O-CA 3.48Å; Q349-R352 WeakPolarHBondContact O-CB 3.28Å; Q349-R352 PolarHBondContact O-N 2.92Å; Q349-E353 WeakPolarHBondContact CG-OE1 3.26Å; Q349-E353 PolarHBondContact NE2-OE1 3.43Å; Q349-E353 PolarHBondContact O-N 3.25Å
350K90.6Very high86.9Confident125 Ų12587.7 Ų87.754%0.54342%0.423SS..Hα-helixtrans-56.1-41.9174.4-72.3-171.9174.8-166.60112.3I346 R352 E353 L354I346-K350 PolarHBondContact O-N 2.9Å; K350-R352 VanDerWaalsContact C-N 3.3Å; K350-R352 PolarHBondContact O-N 3.13Å; K350-E353 PolarHBondContact O-N 3.11Å; K350-L354 PolarHBondContact O-N 3.12Å
351A87.4Confident86.5Confident15 Ų1590.1 Ų90.112%0.12443%0.429CS..Hα-helixtrans-66.6-29.5176.400000113.3L347 L348 Q349 A355 I369 V373L347-A351 WeakPolarHBondContact O-CB 3.4Å; L347-A351 PolarHBondContact O-N 3.03Å; L347-A351 VanDerWaalsContact O-N 3.08Å; L348-A351 PolarHBondContact O-N 3.11Å; Q349-A351 VanDerWaalsContact C-N 3.27Å; Q349-A351 PolarHBondContact O-N 3Å; A351-A355 VanDerWaalsContact O-CB 3.3Å; A351-A355 WeakPolarHBondContact O-CB 3.37Å; A351-A355 PolarHBondContact O-N 3.48Å; A351-A355 VanDerWaalsContact O-N 3.16Å; A351-I369 HydrophobicContact CB-CG2 4.2Å; A351-V373 HydrophobicContact CB-CB 4.48Å; A351-V373 HydrophobicContact CB-CG1 3.89Å; A351-V373 HydrophobicContact CB-CG2 4.48Å
352R86.1Confident85.8Confident135 Ų13590.6 Ų90.651%0.50944%0.444SS..Hα-helixtrans-73.5-40.3173.4-76.7172.8174.6179.8-2.9112.2L348 Q349 K350 A355 R356 I369L348-R352 WeakPolarHBondContact O-CG 3.46Å; L348-R352 PolarHBondContact O-N 3.47Å; Q349-R352 WeakPolarHBondContact O-CA 3.48Å; Q349-R352 WeakPolarHBondContact O-CB 3.28Å; Q349-R352 PolarHBondContact O-N 2.92Å; K350-R352 VanDerWaalsContact C-N 3.3Å; K350-R352 PolarHBondContact O-N 3.13Å; R352-A355 PolarHBondContact O-N 3.18Å; R352-R356 WeakPolarHBondContact O-CG 3.39Å; R352-R356 PolarHBondContact O-N 3.26Å; R352-I369 HydrophobicContact CG-CD1 3.58Å; R352-I369 HydrophobicContact CG-CG1 4.33Å
353E88Confident84.8Confident92 Ų9291.2 Ų91.243%0.4345%0.449SS..Hα-helixtrans-61.9-49.6176.5-73.6163.6-173.800110.7Q349 K350 A355 R356 Q357Q349-E353 WeakPolarHBondContact CG-OE1 3.26Å; Q349-E353 PolarHBondContact NE2-OE1 3.43Å; Q349-E353 PolarHBondContact O-N 3.25Å; K350-E353 PolarHBondContact O-N 3.11Å; E353-A355 VanDerWaalsContact C-N 3.35Å; E353-A355 PolarHBondContact O-N 3.21Å; E353-R356 WeakPolarHBondContact O-CB 3.46Å; E353-R356 PolarHBondContact O-N 2.88Å; E353-R356 VanDerWaalsContact O-N 3.12Å; E353-Q357 PolarHBondContact O-N 3.42Å
354L86.4Confident83.5Confident101 Ų10188.9 Ų88.953%0.52944%0.44SS..Hα-helixtrans-58.6-42.5173.6-80.4163.3000112.9K350 R356 Q357 K358K350-L354 PolarHBondContact O-N 3.12Å; L354-R356 VanDerWaalsContact C-N 3.3Å; L354-R356 PolarHBondContact O-N 2.96Å; L354-Q357 PolarHBondContact O-N 2.95Å; L354-K358 WeakPolarHBondContact O-CG 2.91Å; L354-K358 PolarHBondContact O-N 3.24Å
355A84.2Confident82.2Confident10 Ų1098.1 Ų98.18%0.08348%0.478CS..Hα-helixtrans-68.1-29177.900000112.8A351 R352 E353 V359 A367 I369A351-A355 VanDerWaalsContact O-CB 3.3Å; A351-A355 WeakPolarHBondContact O-CB 3.37Å; A351-A355 PolarHBondContact O-N 3.48Å; A351-A355 VanDerWaalsContact O-N 3.16Å; R352-A355 PolarHBondContact O-N 3.18Å; E353-A355 VanDerWaalsContact C-N 3.35Å; E353-A355 PolarHBondContact O-N 3.21Å; A355-V359 WeakPolarHBondContact O-CG2 3.3Å; A355-A367 HydrophobicContact CB-CB 4.31Å; A355-I369 HydrophobicContact CB-CG1 4.34Å
356R84.3Confident80.9Confident177 Ų17799.8 Ų99.867%0.66848%0.482SS*.Hα-helixtrans-73.6-43.2172.4-77.2176.9177-174.9-3.1111.3R352 E353 L354 K358 V359 I360R352-R356 WeakPolarHBondContact O-CG 3.39Å; R352-R356 PolarHBondContact O-N 3.26Å; E353-R356 WeakPolarHBondContact O-CB 3.46Å; E353-R356 PolarHBondContact O-N 2.88Å; E353-R356 VanDerWaalsContact O-N 3.12Å; L354-R356 VanDerWaalsContact C-N 3.3Å; L354-R356 PolarHBondContact O-N 2.96Å; R356-K358 PolarHBondContact O-N 3.03Å; R356-V359 PolarHBondContact O-N 3.21Å; R356-V359 VanDerWaalsContact O-N 3.1Å; R356-I360 WeakPolarHBondContact O-CG1 3.5Å; R356-I360 PolarHBondContact O-N 3.06Å
357Q85Confident79.6Confident100 Ų10098.7 Ų98.747%0.46749%0.485SS..Hα-helixtrans-56.7-47.7175.4-76.1174-28.800111.5E353 L354 V359 I360 E361E353-Q357 PolarHBondContact O-N 3.42Å; L354-Q357 PolarHBondContact O-N 2.95Å; Q357-V359 PolarHBondContact O-N 3.1Å; Q357-V359 VanDerWaalsContact O-N 3.16Å; Q357-I360 PolarHBondContact O-N 2.81Å; Q357-E361 WeakPolarHBondContact O-CB 3.46Å; Q357-E361 WeakPolarHBondContact O-CG 3.37Å; Q357-E361 PolarHBondContact O-N 3.43Å
358K82.7Confident78.5Confident81 Ų81101.8 Ų101.835%0.35250%0.496SS..Hα-helixtrans-61-24.9175.7-71179.7165-66.10115.1L354 R356 E363L354-K358 WeakPolarHBondContact O-CG 2.91Å; L354-K358 PolarHBondContact O-N 3.24Å; R356-K358 PolarHBondContact O-N 3.03Å; K358-E363 WeakPolarHBondContact CG-OE2 3.19Å; K358-E363 IonicContact NZ-OE2 3.74Å; K358-E363 PolarHBondContact NZ-OE2 2.77Å; K358-E363 PolarHBondContact O-N 2.65Å
359V80Confident77.4Confident61 Ų61102 Ų10237%0.3750%0.497SS..Hα-helixtrans-80.8-37.9174.21700000110.7A355 R356 Q357 G362 A367A355-V359 WeakPolarHBondContact O-CG2 3.3Å; R356-V359 PolarHBondContact O-N 3.21Å; R356-V359 VanDerWaalsContact O-N 3.1Å; Q357-V359 PolarHBondContact O-N 3.1Å; Q357-V359 VanDerWaalsContact O-N 3.16Å; V359-G362 PolarHBondContact O-N 3.28Å; V359-A367 HydrophobicContact CG2-CB 3.76Å
360I80.2Confident76.5Confident144 Ų144100.2 Ų100.274%0.73849%0.494SS*.Hα-helixtrans-67.7-38.9176.1-65.2165.5000110.8R356 Q357 G362R356-I360 WeakPolarHBondContact O-CG1 3.5Å; R356-I360 PolarHBondContact O-N 3.06Å; Q357-I360 PolarHBondContact O-N 2.81Å; I360-G362 PolarHBondContact O-N 2.97Å
361E80Confident75.5Confident129 Ų12998.1 Ų98.160%0.60350%0.5SS*.THydrogen-bonded Turntrans-75.81.7178.6-70.4166.317900113.8Q357 E363Q357-E361 WeakPolarHBondContact O-CB 3.46Å; Q357-E361 WeakPolarHBondContact O-CG 3.37Å; Q357-E361 PolarHBondContact O-N 3.43Å; E361-E363 HydrophobicContact CB-CG 4.47Å; E361-E363 PolarHBondContact O-N 3.47Å
362G73.1Confident74.7Confident63 Ų63102.8 Ų102.865%0.64952%0.523SS*.THydrogen-bonded Turntrans76.6-1.7174.900000115.7V359 I360 R364V359-G362 PolarHBondContact O-N 3.28Å; I360-G362 PolarHBondContact O-N 2.97Å; G362-R364 PolarHBondContact O-N 2.95Å
363E67.7Low73.8Confident115 Ų11598.2 Ų98.254%0.53751%0.511SS..SBendtrans-64.3-24.8-178.1-64.5-169.7149.100113.6K358 E361K358-E363 WeakPolarHBondContact CG-OE2 3.19Å; K358-E363 IonicContact NZ-OE2 3.74Å; K358-E363 PolarHBondContact NZ-OE2 2.77Å; K358-E363 PolarHBondContact O-N 2.65Å; E361-E363 HydrophobicContact CB-CG 4.47Å; E361-E363 PolarHBondContact O-N 3.47Å
364R61.2Low72.6Confident138 Ų13899 Ų9952%0.52151%0.513SS..  trans-147.6134.1-177.9-68.5-173.3168.8176.4-3.7113.2G362 T366G362-R364 PolarHBondContact O-N 2.95Å; R364-T366 PolarHBondContact O-N 3.43Å
365K60.4Low71.4Confident217 Ų217101.6 Ų101.694%0.94352%0.52SS*.SBendtrans-64.8-15.7172.1-65.8-173.9178.4-177.30114.3
366T63.4Low70.3Confident88 Ų88109 Ų10954%0.5455%0.545SS..SBendtrans-144.3138.1178510000112.9R364 K368R364-T366 PolarHBondContact O-N 3.43Å; T366-K368 PolarHBondContact O-N 3.35Å; T366-K368 VanDerWaalsContact O-N 3.12Å
367A62.9Low69Low59 Ų59101.5 Ų101.549%0.48852%0.522SS..  trans-70.2101.8175.100000111.2A355 V359A355-A367 HydrophobicContact CB-CB 4.31Å; V359-A367 HydrophobicContact CG2-CB 3.76Å
368K66.2Low67.7Low149 Ų149106.4 Ų106.465%0.64854%0.536SS*.  trans-100.5108.5172.2-71-175.2-178.5177.80111T366T366-K368 PolarHBondContact O-N 3.35Å; T366-K368 VanDerWaalsContact O-N 3.12Å
369I67.3Low66.4Low30 Ų30108 Ų10815%0.15455%0.548CS..  trans-74.6136.2167.9-55.5166.5000108.5A351 R352 A355 A371 V373 K374A351-I369 HydrophobicContact CB-CG2 4.2Å; R352-I369 HydrophobicContact CG-CD1 3.58Å; R352-I369 HydrophobicContact CG-CG1 4.33Å; A355-I369 HydrophobicContact CB-CG1 4.34Å; I369-A371 PolarHBondContact O-N 3.41Å; I369-V373 HydrophobicContact CG2-CB 4.44Å; I369-K374 HydrophobicContact CB-CD 4.46Å; I369-K374 HydrophobicContact CB-CG 4.46Å; I369-K374 HydrophobicContact CG2-CG 4.11Å
370P69.7Low65.1Low75 Ų75106 Ų10649%0.48754%0.539SS..  trans-55.7131.1177.1-20.228.8000111.9N372 V373 K374P370-N372 PolarHBondContact O-N 3.24Å; P370-N372 VanDerWaalsContact O-N 3.14Å; P370-V373 HydrophobicContact CB-CG2 4.1Å; P370-V373 HydrophobicContact CG-CG2 4.31Å; P370-V373 PolarHBondContact O-N 3.28Å; P370-K374 PolarHBondContact O-N 2.68Å
371A69.1Low63.8Low81 Ų81108.2 Ų108.267%0.66954%0.543SS*.Hα-helixtrans-56.9-33.2-176.900000112.8I369 V373 K374 K375I369-A371 PolarHBondContact O-N 3.41Å; A371-V373 VanDerWaalsContact C-N 3.33Å; A371-V373 PolarHBondContact O-N 3.47Å; A371-K374 PolarHBondContact O-N 3.09Å; A371-K375 PolarHBondContact O-N 2.89Å
372N70.9Confident62.1Low113 Ų113105.1 Ų105.160%0.60455%0.546SS*.Hα-helixtrans-65.2-35179.4-152.6-3.7000112.6P370 R376P370-N372 PolarHBondContact O-N 3.24Å; P370-N372 VanDerWaalsContact O-N 3.14Å; N372-R376 PolarHBondContact O-N 3.17Å
373V66.4Low60.8Low40 Ų40111.3 Ų111.324%0.24256%0.555CS.*Hα-helixtrans-74.1-36.5177.1-174.70000111L348 A351 I369 P370 A371 A377L348-V373 HydrophobicContact CB-CG1 4.4Å; L348-V373 HydrophobicContact CD1-CG1 3.95Å; A351-V373 HydrophobicContact CB-CB 4.48Å; A351-V373 HydrophobicContact CB-CG1 3.89Å; A351-V373 HydrophobicContact CB-CG2 4.48Å; I369-V373 HydrophobicContact CG2-CB 4.44Å; P370-V373 HydrophobicContact CB-CG2 4.1Å; P370-V373 HydrophobicContact CG-CG2 4.31Å; P370-V373 PolarHBondContact O-N 3.28Å; A371-V373 VanDerWaalsContact C-N 3.33Å; A371-V373 PolarHBondContact O-N 3.47Å; V373-A377 PolarHBondContact O-N 2.88Å
374K62.9Low59.7Low109 Ų109111.6 Ų111.647%0.47456%0.564SS.*Hα-helixtrans-65.3-38.7173-81177.9169.6171.30112.6I369 P370 A371 A377 R378I369-K374 HydrophobicContact CB-CD 4.46Å; I369-K374 HydrophobicContact CB-CG 4.46Å; I369-K374 HydrophobicContact CG2-CG 4.11Å; P370-K374 PolarHBondContact O-N 2.68Å; A371-K374 PolarHBondContact O-N 3.09Å; K374-A377 PolarHBondContact O-N 3.38Å; K374-R378 PolarHBondContact O-N 3.27Å; K374-R378 VanDerWaalsContact O-N 3.07Å
375K62.2Low58.4Low155 Ų155109.7 Ų109.767%0.67457%0.573SS**Hα-helixtrans-65.1-42.7-180-160173.6-177.2178.50111.7A371 A377 R378 L379A371-K375 PolarHBondContact O-N 2.89Å; K375-A377 VanDerWaalsContact C-N 3.34Å; K375-A377 PolarHBondContact O-N 3.37Å; K375-R378 PolarHBondContact O-N 3.26Å; K375-L379 PolarHBondContact O-N 3.39Å
376R60.3Low57.2Low164 Ų164104.4 Ų104.462%0.61956%0.563SS**Hα-helixtrans-65.3-31.3175.4-76.6-176.8171-178.3-1.3114N372N372-R376 PolarHBondContact O-N 3.17Å
377A58.2Low55.9Low21 Ų21108 Ų10817%0.17458%0.577CS.*Hα-helixtrans-77.5-32.9175.400000113.4L348 V373 K374 K375 G380L348-A377 HydrophobicContact CB-CB 4.4Å; L348-A377 HydrophobicContact CD1-CB 4.09Å; L348-A377 HydrophobicContact CD2-CB 3.7Å; L348-A377 HydrophobicContact CG-CB 4.28Å; V373-A377 PolarHBondContact O-N 2.88Å; K374-A377 PolarHBondContact O-N 3.38Å; K375-A377 VanDerWaalsContact C-N 3.34Å; K375-A377 PolarHBondContact O-N 3.37Å; A377-G380 PolarHBondContact O-N 3.05Å
378R56.6Low54.8Low202 Ų202120.3 Ų120.376%0.76261%0.611SS**Hα-helixtrans-70.4-31.4177-83.6-175.8165.4-176-4.6113.2K374 K375 G380 K381K374-R378 PolarHBondContact O-N 3.27Å; K374-R378 VanDerWaalsContact O-N 3.07Å; K375-R378 PolarHBondContact O-N 3.26Å; R378-G380 PolarHBondContact O-N 3.25Å; R378-G380 VanDerWaalsContact O-N 3.1Å; R378-K381 PolarHBondContact O-N 2.76Å
379L54.9Low54.2Low115 Ų115118.9 Ų118.960%0.60261%0.609SS**THydrogen-bonded Turntrans-57.1-22.9172.5-80.8157.4000112.9K375K375-L379 PolarHBondContact O-N 3.39Å
380G53.7Low53.5Low19 Ų19123.5 Ų123.520%0.19663%0.633CS.*THydrogen-bonded Turntrans-84.4-10174.800000115.7A377 R378A377-G380 PolarHBondContact O-N 3.05Å; R378-G380 PolarHBondContact O-N 3.25Å; R378-G380 VanDerWaalsContact O-N 3.1Å
381K51.7Low52.6Low190 Ų190126.2 Ų126.283%0.82664%0.641SS**THydrogen-bonded Turntrans-101.7-17.2-179.2-72.7-168173.6-1670114.1R378R378-K381 PolarHBondContact O-N 2.76Å
382G45.2Very low51.7Low64 Ų64128.9 Ų128.966%0.6664%0.64SS**SBendtrans-933.9-169.300000117
383K45.9Very low50.5Low194 Ų194129.9 Ų129.984%0.84364%0.642SS**SBendtrans-142.520.7-173.8-81-167.1174.7-175.70115.6
384V43.8Very low49.4Very low120 Ų120135.9 Ų135.973%0.72767%0.668SS**  trans-119.551.1175.9-161.90000110
385S34.9Very low48.4Very low99 Ų99137.8 Ų137.869%0.69268%0.682SS**SBendtrans-107.4124.2156.857.90000105.8
386S34.5Very low47.4Very low106 Ų106136.5 Ų136.574%0.74168%0.683SS**SBendtrans83.3136.9-168.679.60000114.8
387I36.6Very low46.3Very low162 Ų162134.2 Ų134.283%0.83169%0.688SS**  trans98.955.4-168.5-46.1154.9000112.5
388W39.5Very low45.2Very low318 Ų318144.5 Ų144.5100%1.20574%0.735SS**  trans-123.90139.6-88.297.6000106.9

Retrieved 388 of 388 residues in 269.8 ms (Link to these results)

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