A0A077ZJ10_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZJ10, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 203 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
1M85.5Confident95.8Very high158 Ų15839.5 Ų39.578%0.77820%0.204SC*.  0121.20-177.4-167.8-167.700107.5I64 H65M1-I64 HydrophobicContact CE-CB 4.3Å; M1-I64 HydrophobicContact CE-CD1 4.04Å; M1-I64 HydrophobicContact CE-CG1 4.23Å; M1-I64 HydrophobicContact CE-CG2 3.16Å; M1-I64 HydrophobicContact CG-CG2 4.12Å; M1-I64 HydrophobicContact SD-CG2 4.45Å; M1-H65 VanDerWaalsContact CA-O 3.23Å; M1-H65 WeakPolarHBondContact CA-O 3.16Å
2T92.2Very high95.8Very high66 Ų6641.1 Ų41.141%0.40522%0.221SC..EExtended strand (participates in β ladder)trans-113.1154.2174.4540000109.5H65T2-H65 PolarHBondContact N-O 3.28Å; T2-H65 PolarHBondContact O-N 3.43Å; T2-H65 WeakPolarHBondContact OG1-CB 3.26Å
3K95.4Very high95.8Very high58 Ų5844.7 Ų44.725%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-125.6129.7179.2-61.7-175.7-177.9174.70108.1D23 L24 P26 I62 L63 I64K3-D23 CarbonylContact O-C 3.56Å; K3-D23 PolarHBondContact O-N 3.23Å; K3-L24 HydrophobicContact CB-CB 4.22Å; K3-L24 WeakPolarHBondContact O-CB 3.4Å; K3-L24 PolarHBondContact O-N 2.84Å; K3-P26 HydrophobicContact CD-CB 4.34Å; K3-I62 HydrophobicContact CB-CG2 4.19Å; K3-I62 HydrophobicContact CD-CG2 4.49Å; K3-L63 CarbonylContact C-O 3.59Å; K3-L63 WeakPolarHBondContact CA-O 3.47Å; K3-I64 HydrophobicContact CG-CG1 4.27Å
4D96.7Very high95.8Very high10 Ų1046.8 Ų46.85%0.05328%0.278CS..EExtended strand (participates in β ladder)trans-115.7146.1173.6-69.8-13000109.1K20 Y21 K22 D23 I62 L63 H65D4-K20 WeakPolarHBondContact OD2-CE 3.49Å; D4-K20 IonicContact OD2-NZ 3.58Å; D4-K20 PolarHBondContact OD2-NZ 2.77Å; D4-Y21 CarbonylContact C-O 3.56Å; D4-Y21 WeakPolarHBondContact CA-O 3.31Å; D4-K22 VanDerWaalsContact OD1-CA 3.31Å; D4-K22 WeakPolarHBondContact OD1-CA 3.36Å; D4-D23 PolarHBondContact OD1-N 3.23Å; D4-I62 CarbonylContact O-C 3.57Å; D4-I62 WeakPolarHBondContact O-CA 3.41Å; D4-L63 HydrophobicContact CB-CB 4.34Å; D4-L63 PolarHBondContact N-O 3.11Å; D4-L63 PolarHBondContact O-N 3.38Å; D4-H65 IonicContact OD2-NE2 3.4Å
5L97.5Very high95.8Very high8 Ų845.5 Ų45.54%0.04228%0.278CS..EExtended strand (participates in β ladder)trans-99.1127.6170.6173.868.1000109.3W19 K20 Y21 L24 I33 A60L5-W19 HydrophobicContact CD2-CZ3 4.31Å; L5-K20 CarbonylContact O-C 3.56Å; L5-K20 WeakPolarHBondContact O-CA 3.49Å; L5-Y21 PolarHBondContact N-O 3.4Å; L5-Y21 PolarHBondContact O-N 3.21Å; L5-L24 HydrophobicContact CB-CD1 4Å; L5-L24 HydrophobicContact CB-CD2 4.15Å; L5-L24 HydrophobicContact CD2-CD1 4.33Å; L5-I33 HydrophobicContact CD1-CG2 3.88Å; L5-I33 HydrophobicContact CD2-CG2 3.67Å; L5-I33 HydrophobicContact CG-CG2 4.45Å; L5-A60 HydrophobicContact CD1-CB 4.05Å
6I97.7Very high95.9Very high56 Ų5648.1 Ų48.129%0.28729%0.294SS..EExtended strand (participates in β ladder)trans-111.7114.4168.6-50.1-60.6000107.4K20 A60 K61I6-K20 HydrophobicContact CD1-CB 3.78Å; I6-K20 HydrophobicContact CD1-CD 3.56Å; I6-K20 HydrophobicContact CD1-CG 3.51Å; I6-A60 CarbonylContact O-C 3.6Å; I6-A60 WeakPolarHBondContact O-CA 3.35Å; I6-K61 PolarHBondContact N-O 3.39Å; I6-K61 PolarHBondContact O-N 3.39Å
7A98Very high96Very high0 Ų048.1 Ų48.10%029%0.289CS..EExtended strand (participates in β ladder)trans-116.2142.8177.100000110.5F9 W19 T59 A60A7-F9 HydrophobicContact CB-CD2 4.33Å; A7-F9 HydrophobicContact CB-CE2 3.62Å; A7-F9 HydrophobicContact CB-CZ 4.21Å; A7-W19 HydrophobicContact CB-CE3 4.23Å; A7-W19 PolarHBondContact N-O 2.94Å; A7-W19 PolarHBondContact O-N 2.97Å; A7-T59 CarbonylContact C-O 3.55Å; A7-T59 WeakPolarHBondContact CA-O 3.49Å; A7-A60 HydrophobicContact CB-CB 4.44Å
8T98.3Very high96.1Very high25 Ų2551.5 Ų51.515%0.15331%0.306CS..EExtended strand (participates in β ladder)trans-113.4125.9171.5-56.40000108T16 H17 N18 V58 T59T8-T16 HydrophobicContact CG2-CG2 4.13Å; T8-H17 WeakPolarHBondContact CA-O 2.95Å; T8-N18 WeakPolarHBondContact CB-OD1 3.46Å; T8-N18 WeakPolarHBondContact CG2-OD1 3.15Å; T8-N18 PolarHBondContact OG1-OD1 3.47Å; T8-V58 HydrophobicContact CG2-CB 4.37Å; T8-V58 WeakPolarHBondContact O-CA 3.42Å; T8-V58 VanDerWaalsContact O-CB 3.31Å; T8-V58 WeakPolarHBondContact O-CB 3.4Å; T8-V58 PolarHBondContact O-N 3.09Å; T8-T59 PolarHBondContact N-O 3.23Å; T8-T59 PolarHBondContact O-N 3.5Å; T8-T59 VanDerWaalsContact O-N 3.15Å
9F98.2Very high96.1Very high0 Ų053.1 Ų53.10%031%0.306CS..EExtended strand (participates in β ladder)trans-108.7150.3175-64.8-95000110.2A7 T16 H17 W19 C37 L40 T41 F54 S56 V57A7-F9 HydrophobicContact CB-CD2 4.33Å; A7-F9 HydrophobicContact CB-CE2 3.62Å; A7-F9 HydrophobicContact CB-CZ 4.21Å; F9-T16 CarbonylContact O-C 3.46Å; F9-T16 VanDerWaalsContact O-CA 3.22Å; F9-T16 WeakPolarHBondContact O-CA 3.45Å; F9-H17 PolarHBondContact N-O 2.93Å; F9-H17 PolarHBondContact O-N 3.05Å; F9-W19 HydrophobicContact CD2-CB 4.24Å; F9-W19 HydrophobicContact CE2-CB 4.05Å; F9-W19 HydrophobicContact CE2-CD2 4.5Å; F9-W19 AromaticContact CE2-CE3 3.99Å; F9-W19 HydrophobicContact CE2-CE3 3.99Å; F9-W19 HydrophobicContact CZ-CE3 4.45Å; F9-C37 HydrophobicContact CE1-CB 3.95Å; F9-C37 HydrophobicContact CZ-CB 3.94Å; F9-L40 HydrophobicContact CZ-CD2 4.13Å; F9-T41 HydrophobicContact CD1-CG2 3.86Å; F9-T41 HydrophobicContact CE1-CG2 4.05Å; F9-F54 HydrophobicContact CB-CD1 4.22Å; F9-F54 HydrophobicContact CD1-CB 4.26Å; F9-F54 AromaticContact CD1-CD1 3.66Å; F9-F54 HydrophobicContact CD1-CD1 3.66Å; F9-F54 HydrophobicContact CD1-CG 4.43Å; F9-F54 AromaticContact CD2-CD1 3.5Å; F9-F54 HydrophobicContact CD2-CD1 3.5Å; F9-F54 AromaticContact CD2-CE1 3.66Å; F9-F54 HydrophobicContact CD2-CE1 3.66Å; F9-F54 AromaticContact CE1-CD1 3.76Å; F9-F54 HydrophobicContact CE1-CD1 3.76Å; F9-F54 AromaticContact CE2-CD1 3.63Å; F9-F54 HydrophobicContact CE2-CD1 3.63Å; F9-F54 AromaticContact CE2-CE1 3.62Å; F9-F54 HydrophobicContact CE2-CE1 3.62Å; F9-F54 AromaticContact CG-CD1 3.52Å; F9-F54 HydrophobicContact CG-CD1 3.52Å; F9-F54 HydrophobicContact CG-CE1 4.16Å; F9-F54 HydrophobicContact CG-CG 4.4Å; F9-F54 AromaticContact CZ-CD1 3.76Å; F9-F54 HydrophobicContact CZ-CD1 3.76Å; F9-F54 HydrophobicContact CZ-CE1 4.09Å; F9-S56 CarbonylContact C-O 3.44Å; F9-S56 WeakPolarHBondContact CA-O 3.39Å; F9-S56 WeakPolarHBondContact CB-O 3.46Å; F9-S56 WeakPolarHBondContact CD1-O 3.39Å; F9-V57 HydrophobicContact CD1-CG2 4.15Å; F9-V57 HydrophobicContact CE1-CG2 3.85Å
10G97.7Very high96.1Very high7 Ų755.2 Ų55.27%0.07231%0.312CS..EExtended strand (participates in β ladder)trans-76.9143.7164.500000109.2D55 S56G10-D55 WeakPolarHBondContact O-CA 3.34Å; G10-D55 VanDerWaalsContact O-CB 3.26Å; G10-D55 WeakPolarHBondContact O-CB 3.44Å; G10-D55 PolarHBondContact O-N 2.89Å; G10-S56 PolarHBondContact N-O 3.15Å; G10-S56 PolarHBondContact O-N 3.13Å
11K96.9Very high96.1Very high47 Ų4757.9 Ų57.920%0.20432%0.318CS..  trans-97.7156.8170.5-65.5-170.1-68.8145.80110D13 G14 G15 T16 H17 V51 K52 L53K11-D13 WeakPolarHBondContact CB-OD1 3.46Å; K11-D13 WeakPolarHBondContact CE-OD1 3.45Å; K11-D13 VanDerWaalsContact NZ-CG 3.31Å; K11-D13 IonicContact NZ-OD1 2.63Å; K11-D13 PolarHBondContact NZ-OD1 2.79Å; K11-D13 IonicContact NZ-OD2 2.88Å; K11-D13 PolarHBondContact NZ-OD2 2.83Å; K11-D13 PolarHBondContact O-N 2.87Å; K11-D13 VanDerWaalsContact O-N 3.17Å; K11-G14 PolarHBondContact O-N 2.81Å; K11-G15 PolarHBondContact N-O 3.02Å; K11-T16 WeakPolarHBondContact CE-O 3.5Å; K11-H17 HydrophobicContact CD-CB 4.33Å; K11-H17 HydrophobicContact CG-CB 3.94Å; K11-V51 HydrophobicContact CB-CG1 4.03Å; K11-V51 HydrophobicContact CD-CG1 4.29Å; K11-K52 WeakPolarHBondContact CA-O 3.22Å; K11-K52 WeakPolarHBondContact CB-O 3.19Å; K11-L53 HydrophobicContact CD-CD2 4.02Å
12S95.3Very high96.6Very high58 Ų5856.9 Ų56.941%0.40631%0.309SS..THydrogen-bonded Turntrans-67.6-14.2177.265.40000114G14 K52S12-G14 VanDerWaalsContact C-N 3.29Å; S12-K52 PolarHBondContact N-O 2.88Å; S12-K52 VanDerWaalsContact N-O 3.13Å; S12-K52 PolarHBondContact OG-N 2.72Å
13D95.8Very high96.7Very high88 Ų8859.1 Ų59.147%0.47132%0.319SS..THydrogen-bonded Turntrans-86.94.2173.769.3-6.2000113.4K11 G15 V51K11-D13 WeakPolarHBondContact CB-OD1 3.46Å; K11-D13 WeakPolarHBondContact CE-OD1 3.45Å; K11-D13 VanDerWaalsContact NZ-CG 3.31Å; K11-D13 IonicContact NZ-OD1 2.63Å; K11-D13 PolarHBondContact NZ-OD1 2.79Å; K11-D13 IonicContact NZ-OD2 2.88Å; K11-D13 PolarHBondContact NZ-OD2 2.83Å; K11-D13 PolarHBondContact O-N 2.87Å; K11-D13 VanDerWaalsContact O-N 3.17Å; D13-G15 VanDerWaalsContact C-N 3.3Å; D13-G15 PolarHBondContact OD1-N 2.81Å; D13-V51 HydrophobicContact CB-CG1 3.8Å; D13-V51 HydrophobicContact CB-CG2 4.08Å
14G95.7Very high96.7Very high74 Ų7457 Ų5776%0.76331%0.31SS*.SBendtrans84.5-3.9-176.900000114.5K11 S12K11-G14 PolarHBondContact O-N 2.81Å; S12-G14 VanDerWaalsContact C-N 3.29Å
15G96.7Very high96.6Very high27 Ų2760 Ų6028%0.27833%0.326SS..  trans-79.8-174.417200000112.9K11 D13K11-G15 PolarHBondContact N-O 3.02Å; D13-G15 VanDerWaalsContact C-N 3.3Å; D13-G15 PolarHBondContact OD1-N 2.81Å
16T97.7Very high96.2Very high87 Ų8763.7 Ų63.753%0.53435%0.35SS..EExtended strand (participates in β ladder)trans-118.1157173.8570000111.7T8 F9 K11T8-T16 HydrophobicContact CG2-CG2 4.13Å; F9-T16 CarbonylContact O-C 3.46Å; F9-T16 VanDerWaalsContact O-CA 3.22Å; F9-T16 WeakPolarHBondContact O-CA 3.45Å; K11-T16 WeakPolarHBondContact CE-O 3.5Å
17H96.6Very high96Very high48 Ų4867.2 Ų67.222%0.22237%0.37CS..EExtended strand (participates in β ladder)trans-129.4118174.9-179.162.7000109.3T8 F9 K11 L53 F54T8-H17 WeakPolarHBondContact CA-O 2.95Å; F9-H17 PolarHBondContact N-O 2.93Å; F9-H17 PolarHBondContact O-N 3.05Å; K11-H17 HydrophobicContact CD-CB 4.33Å; K11-H17 HydrophobicContact CG-CB 3.94Å; H17-L53 WeakPolarHBondContact CB-O 3.08Å; H17-F54 AromaticContact CD2-CZ 3.8Å; H17-F54 AromaticContact NE2-CZ 3.82Å
18N97.1Very high95.9Very high110 Ų11070.5 Ų70.559%0.58839%0.387SS*.EExtended strand (participates in β ladder)trans-89.4128.1175.3-70.5-36.7000109.9T8T8-N18 WeakPolarHBondContact CB-OD1 3.46Å; T8-N18 WeakPolarHBondContact CG2-OD1 3.15Å; T8-N18 PolarHBondContact OG1-OD1 3.47Å
19W96.1Very high95.8Very high82 Ų8272.6 Ų72.631%0.31140%0.4SS..EExtended strand (participates in β ladder)trans-123.8132.6-179.9-178.165.2000110L5 A7 F9 Y21 F54L5-W19 HydrophobicContact CD2-CZ3 4.31Å; A7-W19 HydrophobicContact CB-CE3 4.23Å; A7-W19 PolarHBondContact N-O 2.94Å; A7-W19 PolarHBondContact O-N 2.97Å; F9-W19 HydrophobicContact CD2-CB 4.24Å; F9-W19 HydrophobicContact CE2-CB 4.05Å; F9-W19 HydrophobicContact CE2-CD2 4.5Å; F9-W19 AromaticContact CE2-CE3 3.99Å; F9-W19 HydrophobicContact CE2-CE3 3.99Å; F9-W19 HydrophobicContact CZ-CE3 4.45Å; W19-Y21 AromaticContact CH2-CD2 3.92Å; W19-Y21 HydrophobicContact CH2-CD2 3.92Å; W19-Y21 HydrophobicContact CH2-CG 4.15Å; W19-Y21 AromaticContact CZ2-CD2 3.99Å; W19-Y21 HydrophobicContact CZ2-CD2 3.99Å; W19-Y21 HydrophobicContact CZ2-CG 4.48Å; W19-F54 HydrophobicContact CB-CE1 4.22Å; W19-F54 HydrophobicContact CD2-CE1 4.48Å; W19-F54 HydrophobicContact CG-CE1 4.16Å; W19-F54 HydrophobicContact CG-CZ 4.37Å
20K96.5Very high95.6Very high95 Ų9576.1 Ų76.141%0.41343%0.429SS..EExtended strand (participates in β ladder)trans-115.1126.2177.8175.3167.1-172.9174.10109.5D4 L5 I6D4-K20 WeakPolarHBondContact OD2-CE 3.49Å; D4-K20 IonicContact OD2-NZ 3.58Å; D4-K20 PolarHBondContact OD2-NZ 2.77Å; L5-K20 CarbonylContact O-C 3.56Å; L5-K20 WeakPolarHBondContact O-CA 3.49Å; I6-K20 HydrophobicContact CD1-CB 3.78Å; I6-K20 HydrophobicContact CD1-CD 3.56Å; I6-K20 HydrophobicContact CD1-CG 3.51Å
21Y96.1Very high95.6Very high111 Ų11180.2 Ų80.244%0.43545%0.454SS..EExtended strand (participates in β ladder)trans-112.6120.7170.4-178.6-91.3000108.9D4 L5 W19 L24D4-Y21 CarbonylContact C-O 3.56Å; D4-Y21 WeakPolarHBondContact CA-O 3.31Å; L5-Y21 PolarHBondContact N-O 3.4Å; L5-Y21 PolarHBondContact O-N 3.21Å; W19-Y21 AromaticContact CH2-CD2 3.92Å; W19-Y21 HydrophobicContact CH2-CD2 3.92Å; W19-Y21 HydrophobicContact CH2-CG 4.15Å; W19-Y21 AromaticContact CZ2-CD2 3.99Å; W19-Y21 HydrophobicContact CZ2-CD2 3.99Å; W19-Y21 HydrophobicContact CZ2-CG 4.48Å; Y21-L24 HydrophobicContact CD1-CB 4.47Å; Y21-L24 HydrophobicContact CD1-CD1 3.97Å; Y21-L24 HydrophobicContact CE1-CD1 4.23Å
22K95.9Very high95.6Very high137 Ų13782.3 Ų82.360%0.59647%0.465SS*.  trans-87.4156.9-178.9-65.8-176.6179.5-176.50110.9D4 L24D4-K22 VanDerWaalsContact OD1-CA 3.31Å; D4-K22 WeakPolarHBondContact OD1-CA 3.36Å; K22-L24 VanDerWaalsContact C-N 3.33Å; K22-L24 PolarHBondContact O-N 3.12Å
23D94.7Very high95.7Very high114 Ų11480.1 Ų80.161%0.6145%0.449SS*.SBendtrans55.648.9172.8-55.5-51.8000112.2K3 D4 D25K3-D23 CarbonylContact O-C 3.56Å; K3-D23 PolarHBondContact O-N 3.23Å; D4-D23 PolarHBondContact OD1-N 3.23Å; D23-D25 PolarHBondContact O-N 3.33Å
24L95.3Very high95.7Very high12 Ų1281.7 Ų81.76%0.06345%0.451CS..  trans-58.6128.7175-171.873.4000110.2K3 L5 Y21 K22 L28 I33 I62K3-L24 HydrophobicContact CB-CB 4.22Å; K3-L24 WeakPolarHBondContact O-CB 3.4Å; K3-L24 PolarHBondContact O-N 2.84Å; L5-L24 HydrophobicContact CB-CD1 4Å; L5-L24 HydrophobicContact CB-CD2 4.15Å; L5-L24 HydrophobicContact CD2-CD1 4.33Å; Y21-L24 HydrophobicContact CD1-CB 4.47Å; Y21-L24 HydrophobicContact CD1-CD1 3.97Å; Y21-L24 HydrophobicContact CE1-CD1 4.23Å; K22-L24 VanDerWaalsContact C-N 3.33Å; K22-L24 PolarHBondContact O-N 3.12Å; L24-L28 HydrophobicContact CD1-CD1 3.85Å; L24-L28 HydrophobicContact CG-CD1 4.42Å; L24-I33 HydrophobicContact CD2-CD1 3.96Å; L24-I62 HydrophobicContact CD2-CD1 4.04Å; L24-I62 HydrophobicContact CD2-CG1 3.99Å; L24-I62 HydrophobicContact CD2-CG2 4.34Å
25D94.5Very high95.8Very high74 Ų7482.9 Ų82.940%0.39644%0.437SS..  trans-58.9122176.2176.4-3.4000109.8D23 N27 L28D23-D25 PolarHBondContact O-N 3.33Å; D25-N27 PolarHBondContact O-N 3.16Å; D25-N27 VanDerWaalsContact O-N 3.13Å; D25-N27 WeakPolarHBondContact OD1-CB 3.32Å; D25-N27 PolarHBondContact OD1-N 3.2Å; D25-N27 PolarHBondContact OD1-ND2 3.19Å; D25-L28 HydrophobicContact CB-CD1 3.95Å; D25-L28 HydrophobicContact CB-CG 3.93Å; D25-L28 WeakPolarHBondContact O-CB 3.4Å; D25-L28 PolarHBondContact O-N 3.12Å; D25-L28 VanDerWaalsContact O-N 3.14Å
26P90.3Very high95.7Very high85 Ų8584.4 Ų84.455%0.55245%0.447SS*.THydrogen-bonded Turntrans-65-15.2-176.727.8-37.1000114K3 L28K3-P26 HydrophobicContact CD-CB 4.34Å; P26-L28 VanDerWaalsContact C-N 3.35Å
27N93.3Very high95.6Very high131 Ų13180.4 Ų80.470%0.70142%0.422SS*.THydrogen-bonded Turntrans-85.6-8.9178.9-55.4-56.8000113D25 T29D25-N27 PolarHBondContact O-N 3.16Å; D25-N27 VanDerWaalsContact O-N 3.13Å; D25-N27 WeakPolarHBondContact OD1-CB 3.32Å; D25-N27 PolarHBondContact OD1-N 3.2Å; D25-N27 PolarHBondContact OD1-ND2 3.19Å; N27-T29 PolarHBondContact O-N 3.36Å
28L94.5Very high95.6Very high68 Ų6881.7 Ų81.736%0.35643%0.428SS..  trans-72.2128178.4-68.9174.3000111.1L24 D25 P26 Q32 I33L24-L28 HydrophobicContact CD1-CD1 3.85Å; L24-L28 HydrophobicContact CG-CD1 4.42Å; D25-L28 HydrophobicContact CB-CD1 3.95Å; D25-L28 HydrophobicContact CB-CG 3.93Å; D25-L28 WeakPolarHBondContact O-CB 3.4Å; D25-L28 PolarHBondContact O-N 3.12Å; D25-L28 VanDerWaalsContact O-N 3.14Å; P26-L28 VanDerWaalsContact C-N 3.35Å; L28-Q32 HydrophobicContact CD2-CB 4.49Å; L28-I33 HydrophobicContact CB-CD1 4.23Å; L28-I33 HydrophobicContact CB-CG1 4.07Å
29T96.1Very high95.5Very high69 Ų6979.7 Ų79.742%0.42342%0.418SS..  trans-86.5156.8175.163.80000111.1N27 Q32 I33N27-T29 PolarHBondContact O-N 3.36Å; T29-Q32 PolarHBondContact O-N 3.05Å; T29-Q32 VanDerWaalsContact O-N 3.14Å; T29-Q32 VanDerWaalsContact OG1-CD 3.31Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.4Å; T29-Q32 PolarHBondContact OG1-OE1 3.34Å; T29-I33 WeakPolarHBondContact O-CG1 3.46Å; T29-I33 PolarHBondContact O-N 3.49Å
30A95.3Very high95.3Very high75 Ų7577.5 Ų77.562%0.6241%0.412SS*.Hα-helixtrans-56-41177.700000113.9Q32 I33 K34A30-Q32 PolarHBondContact O-N 3.47Å; A30-I33 PolarHBondContact O-N 3.32Å; A30-K34 WeakPolarHBondContact O-CB 3.41Å; A30-K34 PolarHBondContact O-N 3.05Å
31P97.1Very high95.2Very high93 Ų9374.2 Ų74.260%0.60440%0.4SS*.Hα-helixtrans-60.3-42174.1-25.235.6000113.6I33 K34 E35P31-I33 PolarHBondContact O-N 3.21Å; P31-K34 PolarHBondContact O-N 3.47Å; P31-E35 WeakPolarHBondContact O-CB 3.49Å; P31-E35 PolarHBondContact O-N 3.5Å
32Q96.8Very high95Very high91 Ų9173.6 Ų73.643%0.42540%0.404SS..Hα-helixtrans-65-40178.1-72.3168.2-4000111.9L28 T29 A30 E35 A36L28-Q32 HydrophobicContact CD2-CB 4.49Å; T29-Q32 PolarHBondContact O-N 3.05Å; T29-Q32 VanDerWaalsContact O-N 3.14Å; T29-Q32 VanDerWaalsContact OG1-CD 3.31Å; T29-Q32 WeakPolarHBondContact OG1-CG 3.4Å; T29-Q32 PolarHBondContact OG1-OE1 3.34Å; A30-Q32 PolarHBondContact O-N 3.47Å; Q32-E35 PolarHBondContact O-N 3.35Å; Q32-A36 WeakPolarHBondContact O-CB 3.43Å; Q32-A36 PolarHBondContact O-N 3.34Å
33I96.9Very high94.8Very high12 Ų1269.2 Ų69.26%0.06239%0.386CS..Hα-helixtrans-63.3-44.7174.9-64.8166.3000110.1L5 L24 L28 T29 A30 P31 A36 C37 I62L5-I33 HydrophobicContact CD1-CG2 3.88Å; L5-I33 HydrophobicContact CD2-CG2 3.67Å; L5-I33 HydrophobicContact CG-CG2 4.45Å; L24-I33 HydrophobicContact CD2-CD1 3.96Å; L28-I33 HydrophobicContact CB-CD1 4.23Å; L28-I33 HydrophobicContact CB-CG1 4.07Å; T29-I33 WeakPolarHBondContact O-CG1 3.46Å; T29-I33 PolarHBondContact O-N 3.49Å; A30-I33 PolarHBondContact O-N 3.32Å; P31-I33 PolarHBondContact O-N 3.21Å; I33-A36 PolarHBondContact O-N 3.23Å; I33-C37 PolarHBondContact O-N 3.47Å; I33-C37 PolarHBondContact O-SG 3.23Å; I33-I62 HydrophobicContact CD1-CD1 4.14Å
34K97.2Very high94.2Very high120 Ų12067.5 Ų67.552%0.52238%0.378SS..Hα-helixtrans-60.9-46.9177.2-178.4173.4179.9-76.20111.6A30 P31 A36 C37 E38A30-K34 WeakPolarHBondContact O-CB 3.41Å; A30-K34 PolarHBondContact O-N 3.05Å; P31-K34 PolarHBondContact O-N 3.47Å; K34-A36 VanDerWaalsContact C-N 3.34Å; K34-A36 PolarHBondContact O-N 3.44Å; K34-C37 PolarHBondContact O-N 3.46Å; K34-E38 WeakPolarHBondContact CE-OE1 3.26Å; K34-E38 IonicContact NZ-OE1 2.72Å; K34-E38 PolarHBondContact NZ-OE1 3.2Å; K34-E38 WeakPolarHBondContact O-CG 3.19Å; K34-E38 PolarHBondContact O-N 2.99Å
35E97Very high93.8Very high100 Ų10071.9 Ų71.947%0.46740%0.4SS..Hα-helixtrans-59.4-44.8176.4-175.3-179-172.900111.2P31 Q32 C37 E38 L39P31-E35 WeakPolarHBondContact O-CB 3.49Å; P31-E35 PolarHBondContact O-N 3.5Å; Q32-E35 PolarHBondContact O-N 3.35Å; E35-C37 VanDerWaalsContact C-N 3.34Å; E35-C37 PolarHBondContact O-N 3.43Å; E35-E38 PolarHBondContact O-N 3.17Å; E35-L39 HydrophobicContact CG-CD1 4.45Å; E35-L39 VanDerWaalsContact O-CG 3.31Å; E35-L39 WeakPolarHBondContact O-CG 3.38Å; E35-L39 PolarHBondContact O-N 3.11Å
36A95.2Very high93.6Very high58 Ų5870.5 Ų70.548%0.47940%0.395SS..Hα-helixtrans-61.7-40.317600000112.6Q32 I33 K34 L39 L40Q32-A36 WeakPolarHBondContact O-CB 3.43Å; Q32-A36 PolarHBondContact O-N 3.34Å; I33-A36 PolarHBondContact O-N 3.23Å; K34-A36 VanDerWaalsContact C-N 3.34Å; K34-A36 PolarHBondContact O-N 3.44Å; A36-L39 PolarHBondContact O-N 3.19Å; A36-L40 PolarHBondContact O-N 2.95Å; A36-L40 VanDerWaalsContact O-N 3.09Å
37C95.7Very high93.7Very high4 Ų470 Ų703%0.02739%0.391CS..Hα-helixtrans-64.5-41.1174.2-68.60000112.2F9 I33 K34 E35 L40 T41 V57F9-C37 HydrophobicContact CE1-CB 3.95Å; F9-C37 HydrophobicContact CZ-CB 3.94Å; I33-C37 PolarHBondContact O-N 3.47Å; I33-C37 PolarHBondContact O-SG 3.23Å; K34-C37 PolarHBondContact O-N 3.46Å; E35-C37 VanDerWaalsContact C-N 3.34Å; E35-C37 PolarHBondContact O-N 3.43Å; C37-L40 WeakPolarHBondContact O-CB 3.16Å; C37-L40 PolarHBondContact O-N 3.17Å; C37-T41 PolarHBondContact O-N 3.2Å; C37-V57 HydrophobicContact CB-CG1 3.98Å; C37-V57 HydrophobicContact CB-CG2 3.73Å
38E95.9Very high93.7Very high74 Ų7469 Ų6935%0.34638%0.382SS..Hα-helixtrans-68.3-34.1176.1-72.2172.4179.400112.3K34 E35 L40 T41 N42 V57K34-E38 WeakPolarHBondContact CE-OE1 3.26Å; K34-E38 IonicContact NZ-OE1 2.72Å; K34-E38 PolarHBondContact NZ-OE1 3.2Å; K34-E38 WeakPolarHBondContact O-CG 3.19Å; K34-E38 PolarHBondContact O-N 2.99Å; E35-E38 PolarHBondContact O-N 3.17Å; E38-L40 VanDerWaalsContact C-N 3.3Å; E38-L40 PolarHBondContact O-N 2.88Å; E38-T41 PolarHBondContact O-N 3.35Å; E38-T41 PolarHBondContact O-OG1 3.48Å; E38-N42 PolarHBondContact O-N 3.26Å; E38-N42 VanDerWaalsContact O-N 3.13Å; E38-N42 PolarHBondContact O-ND2 3.08Å; E38-V57 HydrophobicContact CG-CG2 4.06Å
39L95.4Very high93.6Very high69 Ų6973.4 Ų73.436%0.36141%0.406SS..Hα-helixtrans-61.5-43.5170.9-72.5172.3000110.2E35 A36 T41 N42 L43E35-L39 HydrophobicContact CG-CD1 4.45Å; E35-L39 VanDerWaalsContact O-CG 3.31Å; E35-L39 WeakPolarHBondContact O-CG 3.38Å; E35-L39 PolarHBondContact O-N 3.11Å; A36-L39 PolarHBondContact O-N 3.19Å; L39-T41 VanDerWaalsContact C-N 3.32Å; L39-T41 PolarHBondContact O-N 2.97Å; L39-N42 WeakPolarHBondContact O-CB 3.35Å; L39-N42 PolarHBondContact O-N 3.07Å; L39-N42 VanDerWaalsContact O-N 3.11Å; L39-L43 WeakPolarHBondContact O-CG 3.19Å; L39-L43 PolarHBondContact O-N 3.05Å
40L92.3Very high93.5Very high36 Ų3673.3 Ų73.319%0.18842%0.418CS..Hα-helixtrans-60.5-39.3178.5-173.258.3000112.5F9 A36 C37 E38 N42 L43 F54F9-L40 HydrophobicContact CZ-CD2 4.13Å; A36-L40 PolarHBondContact O-N 2.95Å; A36-L40 VanDerWaalsContact O-N 3.09Å; C37-L40 WeakPolarHBondContact O-CB 3.16Å; C37-L40 PolarHBondContact O-N 3.17Å; E38-L40 VanDerWaalsContact C-N 3.3Å; E38-L40 PolarHBondContact O-N 2.88Å; L40-N42 VanDerWaalsContact C-N 3.32Å; L40-N42 PolarHBondContact O-N 3.16Å; L40-L43 HydrophobicContact CD1-CD1 4.39Å; L40-L43 PolarHBondContact O-N 3.02Å; L40-F54 HydrophobicContact CD2-CD1 3.36Å; L40-F54 HydrophobicContact CD2-CE1 3.36Å; L40-F54 HydrophobicContact CD2-CG 4.01Å; L40-F54 HydrophobicContact CD2-CZ 3.99Å; L40-F54 HydrophobicContact CG-CB 4.28Å; L40-F54 HydrophobicContact CG-CD1 3.76Å; L40-F54 HydrophobicContact CG-CD2 4.47Å; L40-F54 HydrophobicContact CG-CE1 4.19Å; L40-F54 HydrophobicContact CG-CG 3.92Å
41T93.8Very high93.4Very high26 Ų2671.3 Ų71.316%0.1640%0.399CS..Hα-helixtrans-67.2-35.3175.762.50000112.2F9 C37 E38 L39 F54 V57F9-T41 HydrophobicContact CD1-CG2 3.86Å; F9-T41 HydrophobicContact CE1-CG2 4.05Å; C37-T41 PolarHBondContact O-N 3.2Å; E38-T41 PolarHBondContact O-N 3.35Å; E38-T41 PolarHBondContact O-OG1 3.48Å; L39-T41 VanDerWaalsContact C-N 3.32Å; L39-T41 PolarHBondContact O-N 2.97Å; T41-F54 WeakPolarHBondContact CA-O 3.4Å; T41-F54 WeakPolarHBondContact CB-O 3.45Å; T41-F54 HydrophobicContact CG2-CB 4.29Å; T41-V57 HydrophobicContact CG2-CG2 3.8Å
42N92.9Very high93.3Very high98 Ų9870.2 Ų70.252%0.52438%0.384SS..Hα-helixtrans-70.6-32.1177.2-74-47.4000112.9E38 L39 L40 D44 R190E38-N42 PolarHBondContact O-N 3.26Å; E38-N42 VanDerWaalsContact O-N 3.13Å; E38-N42 PolarHBondContact O-ND2 3.08Å; L39-N42 WeakPolarHBondContact O-CB 3.35Å; L39-N42 PolarHBondContact O-N 3.07Å; L39-N42 VanDerWaalsContact O-N 3.11Å; L40-N42 VanDerWaalsContact C-N 3.32Å; L40-N42 PolarHBondContact O-N 3.16Å; N42-D44 PolarHBondContact O-N 3.34Å; N42-R190 VanDerWaalsContact C-NH2 3.34Å; N42-R190 PolarHBondContact O-NH2 2.8Å
43L90Very high93.3Very high44 Ų4467.1 Ų67.123%0.2337%0.371CS..Hα-helixtrans-59.6-32.7-174.8-72177000113L39 L40 I45 L186L39-L43 WeakPolarHBondContact O-CG 3.19Å; L39-L43 PolarHBondContact O-N 3.05Å; L40-L43 HydrophobicContact CD1-CD1 4.39Å; L40-L43 PolarHBondContact O-N 3.02Å; L43-I45 HydrophobicContact CB-CD1 4.1Å; L43-I45 HydrophobicContact CB-CG1 3.82Å; L43-I45 HydrophobicContact CB-CG2 4.17Å; L43-I45 HydrophobicContact CD1-CD1 3.84Å; L43-I45 HydrophobicContact CD1-CG1 4.44Å; L43-I45 WeakPolarHBondContact O-CG2 3.38Å; L43-I45 PolarHBondContact O-N 2.8Å; L43-L186 HydrophobicContact CD2-CD2 3.61Å
44D83.9Confident93.3Very high79 Ų7967.3 Ų67.342%0.42237%0.371SS..  trans55.132.7-179.2-156.524.8000113.4N42 K52N42-D44 PolarHBondContact O-N 3.34Å; D44-K52 WeakPolarHBondContact OD1-CD 3.45Å; D44-K52 WeakPolarHBondContact OD1-CE 3.49Å; D44-K52 IonicContact OD1-NZ 3.96Å; D44-K52 PolarHBondContact OD1-NZ 3.49Å; D44-K52 WeakPolarHBondContact OD2-CE 3.35Å; D44-K52 IonicContact OD2-NZ 2.63Å; D44-K52 PolarHBondContact OD2-NZ 2.84Å
45I87.1Confident93.2Very high103 Ų10365.2 Ų65.253%0.52837%0.366SS..  trans-97.4-7.9-17757.7173.1000113.3L43L43-I45 HydrophobicContact CB-CD1 4.1Å; L43-I45 HydrophobicContact CB-CG1 3.82Å; L43-I45 HydrophobicContact CB-CG2 4.17Å; L43-I45 HydrophobicContact CD1-CD1 3.84Å; L43-I45 HydrophobicContact CD1-CG1 4.44Å; L43-I45 WeakPolarHBondContact O-CG2 3.38Å; L43-I45 PolarHBondContact O-N 2.8Å
46C89.4Confident93.2Very high45 Ų4563 Ų6330%0.30436%0.361SS..  trans-11883.7-170.3-71.80000110.4L53 F54C46-L53 PolarHBondContact O-N 3.08Å; C46-F54 HydrophobicContact CB-CD2 3.3Å; C46-F54 HydrophobicContact CB-CE2 3.49Å; C46-F54 VanDerWaalsContact CB-CE2 3.49Å
47T92.7Very high93.3Very high74 Ų7462.5 Ų62.545%0.45435%0.352SS..EExtended strand (participates in β ladder)trans-116.1134.1178.3-48.10000109.8V51T47-V51 CarbonylContact C-O 3.55Å; T47-V51 WeakPolarHBondContact CA-O 3.31Å; T47-V51 WeakPolarHBondContact CG2-O 3.45Å
48Q92.8Very high93.4Very high112 Ų11266.1 Ų66.152%0.52337%0.374SS..EExtended strand (participates in β ladder)trans-121.5120.5173.7-1781746.200108.8G50 V51 L53Q48-G50 PolarHBondContact O-N 2.61Å; Q48-G50 VanDerWaalsContact O-N 3.15Å; Q48-V51 PolarHBondContact N-O 3.01Å; Q48-V51 WeakPolarHBondContact O-CB 3.48Å; Q48-V51 PolarHBondContact O-N 3.26Å; Q48-L53 HydrophobicContact CB-CD1 4.15Å; Q48-L53 HydrophobicContact CB-CD2 4.1Å; Q48-L53 HydrophobicContact CB-CG 4.16Å
49N93.3Very high93.5Very high159 Ų15965.9 Ų65.985%0.8538%0.378SS*.THydrogen-bonded Turntrans51.537.4-178.4-60.791.9000113.6V51N49-V51 VanDerWaalsContact C-N 3.27Å; N49-V51 PolarHBondContact O-N 3.37Å
50G92.3Very high93.6Very high67 Ų6765 Ų6569%0.69138%0.38SS*.THydrogen-bonded Turntrans81.1-5.4-177.200000115.3Q48Q48-G50 PolarHBondContact O-N 2.61Å; Q48-G50 VanDerWaalsContact O-N 3.15Å
51V94.6Very high93.8Very high34 Ų3470.6 Ų70.621%0.20640%0.403CS..EExtended strand (participates in β ladder)trans-95.3129176.4-179.90000110.3K11 D13 T47 Q48 N49 L53K11-V51 HydrophobicContact CB-CG1 4.03Å; K11-V51 HydrophobicContact CD-CG1 4.29Å; D13-V51 HydrophobicContact CB-CG1 3.8Å; D13-V51 HydrophobicContact CB-CG2 4.08Å; T47-V51 CarbonylContact C-O 3.55Å; T47-V51 WeakPolarHBondContact CA-O 3.31Å; T47-V51 WeakPolarHBondContact CG2-O 3.45Å; Q48-V51 PolarHBondContact N-O 3.01Å; Q48-V51 WeakPolarHBondContact O-CB 3.48Å; Q48-V51 PolarHBondContact O-N 3.26Å; N49-V51 VanDerWaalsContact C-N 3.27Å; N49-V51 PolarHBondContact O-N 3.37Å; V51-L53 PolarHBondContact O-N 3.22Å
52K94.9Very high94Very high69 Ų6973.4 Ų73.430%0.342%0.416SS..EExtended strand (participates in β ladder)trans-73.6125.4174.8-57.1-179176.7-154.60109.5K11 S12 D44 D55K11-K52 WeakPolarHBondContact CA-O 3.22Å; K11-K52 WeakPolarHBondContact CB-O 3.19Å; S12-K52 PolarHBondContact N-O 2.88Å; S12-K52 VanDerWaalsContact N-O 3.13Å; S12-K52 PolarHBondContact OG-N 2.72Å; D44-K52 WeakPolarHBondContact OD1-CD 3.45Å; D44-K52 WeakPolarHBondContact OD1-CE 3.49Å; D44-K52 IonicContact OD1-NZ 3.96Å; D44-K52 PolarHBondContact OD1-NZ 3.49Å; D44-K52 WeakPolarHBondContact OD2-CE 3.35Å; D44-K52 IonicContact OD2-NZ 2.63Å; D44-K52 PolarHBondContact OD2-NZ 2.84Å; K52-D55 HydrophobicContact CB-CB 4.39Å
53L96.2Very high94.1Very high26 Ų2672.3 Ų72.314%0.13641%0.41CS..SBendtrans-79.9-24.7179.2-64.9-178.1000112.9K11 H17 C46 Q48 V51K11-L53 HydrophobicContact CD-CD2 4.02Å; H17-L53 WeakPolarHBondContact CB-O 3.08Å; C46-L53 PolarHBondContact O-N 3.08Å; Q48-L53 HydrophobicContact CB-CD1 4.15Å; Q48-L53 HydrophobicContact CB-CD2 4.1Å; Q48-L53 HydrophobicContact CB-CG 4.16Å; V51-L53 PolarHBondContact O-N 3.22Å
54F96.6Very high94.3Very high17 Ų1774.5 Ų74.58%0.07542%0.421CS..  trans-124.370.1-177.8-55.6-93.8000108.6F9 H17 W19 L40 T41 C46F9-F54 HydrophobicContact CB-CD1 4.22Å; F9-F54 HydrophobicContact CD1-CB 4.26Å; F9-F54 AromaticContact CD1-CD1 3.66Å; F9-F54 HydrophobicContact CD1-CD1 3.66Å; F9-F54 HydrophobicContact CD1-CG 4.43Å; F9-F54 AromaticContact CD2-CD1 3.5Å; F9-F54 HydrophobicContact CD2-CD1 3.5Å; F9-F54 AromaticContact CD2-CE1 3.66Å; F9-F54 HydrophobicContact CD2-CE1 3.66Å; F9-F54 AromaticContact CE1-CD1 3.76Å; F9-F54 HydrophobicContact CE1-CD1 3.76Å; F9-F54 AromaticContact CE2-CD1 3.63Å; F9-F54 HydrophobicContact CE2-CD1 3.63Å; F9-F54 AromaticContact CE2-CE1 3.62Å; F9-F54 HydrophobicContact CE2-CE1 3.62Å; F9-F54 AromaticContact CG-CD1 3.52Å; F9-F54 HydrophobicContact CG-CD1 3.52Å; F9-F54 HydrophobicContact CG-CE1 4.16Å; F9-F54 HydrophobicContact CG-CG 4.4Å; F9-F54 AromaticContact CZ-CD1 3.76Å; F9-F54 HydrophobicContact CZ-CD1 3.76Å; F9-F54 HydrophobicContact CZ-CE1 4.09Å; H17-F54 AromaticContact CD2-CZ 3.8Å; H17-F54 AromaticContact NE2-CZ 3.82Å; W19-F54 HydrophobicContact CB-CE1 4.22Å; W19-F54 HydrophobicContact CD2-CE1 4.48Å; W19-F54 HydrophobicContact CG-CE1 4.16Å; W19-F54 HydrophobicContact CG-CZ 4.37Å; L40-F54 HydrophobicContact CD2-CD1 3.36Å; L40-F54 HydrophobicContact CD2-CE1 3.36Å; L40-F54 HydrophobicContact CD2-CG 4.01Å; L40-F54 HydrophobicContact CD2-CZ 3.99Å; L40-F54 HydrophobicContact CG-CB 4.28Å; L40-F54 HydrophobicContact CG-CD1 3.76Å; L40-F54 HydrophobicContact CG-CD2 4.47Å; L40-F54 HydrophobicContact CG-CE1 4.19Å; L40-F54 HydrophobicContact CG-CG 3.92Å; T41-F54 WeakPolarHBondContact CA-O 3.4Å; T41-F54 WeakPolarHBondContact CB-O 3.45Å; T41-F54 HydrophobicContact CG2-CB 4.29Å; C46-F54 HydrophobicContact CB-CD2 3.3Å; C46-F54 HydrophobicContact CB-CE2 3.49Å; C46-F54 VanDerWaalsContact CB-CE2 3.49Å
55D96.2Very high94.7Very high76 Ų7674.7 Ų74.741%0.40642%0.419SS..SBendtrans-86.9-41.2-179.9-169.269.2000111.3G10 K52G10-D55 WeakPolarHBondContact O-CA 3.34Å; G10-D55 VanDerWaalsContact O-CB 3.26Å; G10-D55 WeakPolarHBondContact O-CB 3.44Å; G10-D55 PolarHBondContact O-N 2.89Å; K52-D55 HydrophobicContact CB-CB 4.39Å
56S96.4Very high94.7Very high52 Ų5275.1 Ų75.136%0.36442%0.417SS..EExtended strand (participates in β ladder)trans-145.3153.6176.4540000111.6F9 G10F9-S56 CarbonylContact C-O 3.44Å; F9-S56 WeakPolarHBondContact CA-O 3.39Å; F9-S56 WeakPolarHBondContact CB-O 3.46Å; F9-S56 WeakPolarHBondContact CD1-O 3.39Å; G10-S56 PolarHBondContact N-O 3.15Å; G10-S56 PolarHBondContact O-N 3.13Å
57V96.7Very high94.5Very high49 Ų4982.2 Ų82.230%0.29745%0.446SS..EExtended strand (participates in β ladder)trans-87.1121.8173.6-172.10000108.5F9 C37 E38 T41F9-V57 HydrophobicContact CD1-CG2 4.15Å; F9-V57 HydrophobicContact CE1-CG2 3.85Å; C37-V57 HydrophobicContact CB-CG1 3.98Å; C37-V57 HydrophobicContact CB-CG2 3.73Å; E38-V57 HydrophobicContact CG-CG2 4.06Å; T41-V57 HydrophobicContact CG2-CG2 3.8Å
58V97.8Very high94.2Very high79 Ų7981 Ų8148%0.47944%0.438SS..EExtended strand (participates in β ladder)trans-99.9-58-177.9-179.10000110.4T8T8-V58 HydrophobicContact CG2-CB 4.37Å; T8-V58 WeakPolarHBondContact O-CA 3.42Å; T8-V58 VanDerWaalsContact O-CB 3.31Å; T8-V58 WeakPolarHBondContact O-CB 3.4Å; T8-V58 PolarHBondContact O-N 3.09Å
59T97.9Very high93.8Very high70 Ų7080.4 Ų80.443%0.42944%0.438SS..EExtended strand (participates in β ladder)trans-148.6159.6176.361.10000111.7A7 T8A7-T59 CarbonylContact C-O 3.55Å; A7-T59 WeakPolarHBondContact CA-O 3.49Å; T8-T59 PolarHBondContact N-O 3.23Å; T8-T59 PolarHBondContact O-N 3.5Å; T8-T59 VanDerWaalsContact O-N 3.15Å
60A97.8Very high93.2Very high50 Ų5077.2 Ų77.241%0.41342%0.42SS..EExtended strand (participates in β ladder)trans-140.2140.3170.500000109.4L5 I6 A7L5-A60 HydrophobicContact CD1-CB 4.05Å; I6-A60 CarbonylContact O-C 3.6Å; I6-A60 WeakPolarHBondContact O-CA 3.35Å; A7-A60 HydrophobicContact CB-CB 4.44Å
61K97.5Very high92.7Very high153 Ų15382.3 Ų82.367%0.66542%0.423SS*.EExtended strand (participates in β ladder)trans-137.8143.8177.6-63.3-179.2-177.6176.90109.8I6I6-K61 PolarHBondContact N-O 3.39Å; I6-K61 PolarHBondContact O-N 3.39Å
62I96.5Very high92Very high85 Ų8582.5 Ų82.544%0.43642%0.424SS..EExtended strand (participates in β ladder)trans-97.4123.2173.8-59.2175.2000107.8K3 D4 L24 I33 I64K3-I62 HydrophobicContact CB-CG2 4.19Å; K3-I62 HydrophobicContact CD-CG2 4.49Å; D4-I62 CarbonylContact O-C 3.57Å; D4-I62 WeakPolarHBondContact O-CA 3.41Å; L24-I62 HydrophobicContact CD2-CD1 4.04Å; L24-I62 HydrophobicContact CD2-CG1 3.99Å; L24-I62 HydrophobicContact CD2-CG2 4.34Å; I33-I62 HydrophobicContact CD1-CD1 4.14Å; I62-I64 HydrophobicContact CG2-CG1 4.17Å
63L95.4Very high91.4Very high76 Ų7684.3 Ų84.340%0.39844%0.442SS..EExtended strand (participates in β ladder)trans-95.2123.4171-179.663.6000108.4K3 D4 H65K3-L63 CarbonylContact C-O 3.59Å; K3-L63 WeakPolarHBondContact CA-O 3.47Å; D4-L63 HydrophobicContact CB-CB 4.34Å; D4-L63 PolarHBondContact N-O 3.11Å; D4-L63 PolarHBondContact O-N 3.38Å; L63-H65 VanDerWaalsContact CD2-NE2 3.3Å; L63-H65 WeakPolarHBondContact CD2-NE2 3.41Å
64I93.8Very high90.9Very high90 Ų9091.1 Ų91.146%0.46247%0.473SS..EExtended strand (participates in β ladder)trans-105.4122.9179.7-69172.7000108.4M1 K3 I62M1-I64 HydrophobicContact CE-CB 4.3Å; M1-I64 HydrophobicContact CE-CD1 4.04Å; M1-I64 HydrophobicContact CE-CG1 4.23Å; M1-I64 HydrophobicContact CE-CG2 3.16Å; M1-I64 HydrophobicContact CG-CG2 4.12Å; M1-I64 HydrophobicContact SD-CG2 4.45Å; K3-I64 HydrophobicContact CG-CG1 4.27Å; I62-I64 HydrophobicContact CG2-CG1 4.17Å
65H92Very high89.9Confident83 Ų8395.4 Ų95.438%0.38449%0.494SS..EExtended strand (participates in β ladder)trans-99.1116.3171.8-69.2-85.6000109.8M1 T2 D4 L63M1-H65 VanDerWaalsContact CA-O 3.23Å; M1-H65 WeakPolarHBondContact CA-O 3.16Å; T2-H65 PolarHBondContact N-O 3.28Å; T2-H65 PolarHBondContact O-N 3.43Å; T2-H65 WeakPolarHBondContact OG1-CB 3.26Å; D4-H65 IonicContact OD2-NE2 3.4Å; L63-H65 VanDerWaalsContact CD2-NE2 3.3Å; L63-H65 WeakPolarHBondContact CD2-NE2 3.41Å
66K87.9Confident88.8Confident112 Ų11298.3 Ų98.349%0.48751%0.505SS..  trans-122.2125174-175.5-176.2176.6-1710108.3T68 D83 G84K66-T68 WeakPolarHBondContact CE-OG1 3.46Å; K66-D83 PolarHBondContact NZ-O 3.47Å; K66-G84 PolarHBondContact NZ-O 3.4Å
67E86.3Confident87.5Confident194 Ų19498.1 Ų98.191%0.90750%0.501SS*.  trans-102.8129.6170-69.4174.8-171.600107.5
68T84.8Confident86.4Confident48 Ų48105.4 Ų105.429%0.29452%0.524SS..  trans-132.8128.2178.4-490000107.9K66K66-T68 WeakPolarHBondContact CE-OG1 3.46Å
69L84.7Confident85.3Confident100 Ų100103.5 Ų103.552%0.52452%0.52SS..  trans-75.1129.1167.6-65.6174.9000108.7T77L69-T77 HydrophobicContact CB-CG2 4.09Å; L69-T77 WeakPolarHBondContact O-CG2 3.38Å; L69-T77 PolarHBondContact O-OG1 3.41Å
70I80Confident84.3Confident92 Ų92102.8 Ų102.847%0.47252%0.515SS..  trans-112.8-31.3-179-59.2166.7000110.7T77I70-T77 PolarHBondContact O-OG1 2.95Å
71F81.9Confident83.6Confident173 Ų173105.4 Ų105.476%0.75951%0.514SS*.  trans-150.1122.8174.1179.5-97.8000109.2P73F71-P73 HydrophobicContact CE1-CG 3.87Å; F71-P73 HydrophobicContact CZ-CG 4.19Å
72D81.4Confident82.7Confident39 Ų39107.1 Ų107.121%0.20952%0.518CS..  trans-143.2122.3170.5-178.8-12000106.9E74 H75 E76D72-E74 PolarHBondContact O-N 3.49Å; D72-E74 PolarHBondContact OD1-N 2.95Å; D72-H75 HydrophobicContact CB-CB 3.85Å; D72-H75 CarbonylContact O-C 2.99Å; D72-H75 PolarHBondContact O-N 2.85Å; D72-H75 IonicContact OD2-CD2 3.85Å; D72-H75 PolarHBondContact OD2-CD2 3.49Å; D72-H75 IonicContact OD2-CG 2.76Å; D72-E76 PolarHBondContact O-N 3.4Å
73P81.9Confident81.9Confident107 Ų107105.6 Ų105.670%0.69551%0.51SS*.SBendtrans-56.5-28.5177.2-24.734.1000113.7F71F71-P73 HydrophobicContact CE1-CG 3.87Å; F71-P73 HydrophobicContact CZ-CG 4.19Å
74E85.4Confident81.1Confident168 Ų168102.6 Ų102.679%0.78550%0.498SS*.SBendtrans-87.7-18.7176.2-61.1-174.8-176.300111.9D72D72-E74 PolarHBondContact O-N 3.49Å; D72-E74 PolarHBondContact OD1-N 2.95Å
75H75.2Confident80.5Confident108 Ų108103 Ų10350%0.550%0.498SS..SBendtrans-133.884.8-179.1-53.8-39.8000111.4D72 T77D72-H75 HydrophobicContact CB-CB 3.85Å; D72-H75 CarbonylContact O-C 2.99Å; D72-H75 PolarHBondContact O-N 2.85Å; D72-H75 IonicContact OD2-CD2 3.85Å; D72-H75 PolarHBondContact OD2-CD2 3.49Å; D72-H75 IonicContact OD2-CG 2.76Å; H75-T77 PolarHBondContact O-N 3.32Å
76E73.4Confident79.9Confident137 Ų137103.2 Ų103.264%0.6451%0.507SS*.  trans-62.297.1173.3-74.5-175-164.200111.2D72 R78D72-E76 PolarHBondContact O-N 3.4Å; E76-R78 PolarHBondContact O-N 2.89Å; E76-R78 VanDerWaalsContact O-N 3.11Å; E76-R78 IonicContact OE2-CZ 2.71Å; E76-R78 IonicContact OE2-NE 3.53Å; E76-R78 PolarHBondContact OE2-NE 3.46Å; E76-R78 VanDerWaalsContact OE2-NE 3.13Å; E76-R78 IonicContact OE2-NH2 2.8Å; E76-R78 PolarHBondContact OE2-NH2 3.15Å
77T69.2Low79.4Confident48 Ų48101.3 Ų101.329%0.29450%0.504SS..  trans-79.590.2172.247.50000110.3L69 I70 H75L69-T77 HydrophobicContact CB-CG2 4.09Å; L69-T77 WeakPolarHBondContact O-CG2 3.38Å; L69-T77 PolarHBondContact O-OG1 3.41Å; I70-T77 PolarHBondContact O-OG1 2.95Å; H75-T77 PolarHBondContact O-N 3.32Å
78R74.4Confident78.8Confident202 Ų202100 Ų10076%0.76250%0.498SS*.  trans-84144.2172.2-64.8-176-173.6-166.21.1110.9E76 V80E76-R78 PolarHBondContact O-N 2.89Å; E76-R78 VanDerWaalsContact O-N 3.11Å; E76-R78 IonicContact OE2-CZ 2.71Å; E76-R78 IonicContact OE2-NE 3.53Å; E76-R78 PolarHBondContact OE2-NE 3.46Å; E76-R78 VanDerWaalsContact OE2-NE 3.13Å; E76-R78 IonicContact OE2-NH2 2.8Å; E76-R78 PolarHBondContact OE2-NH2 3.15Å; R78-V80 PolarHBondContact O-N 3.42Å
79G74.7Confident78Confident39 Ų39105.3 Ų105.340%0.40252%0.52SS..SBendtrans73.319.7169.800000115.4P86 V87G79-P86 CarbonylContact O-C 3.58Å; G79-P86 WeakPolarHBondContact O-CA 3.45Å; G79-V87 PolarHBondContact O-N 2.93Å
80V76.3Confident76.9Confident54 Ų54106.1 Ų106.133%0.32753%0.529SS..BIsolated β-bridgetrans-113.5137.6171.9-63.90000110.6R78R78-V80 PolarHBondContact O-N 3.42Å
81R82.1Confident75.7Confident105 Ų105106.6 Ų106.640%0.39654%0.536SS..  trans-78.9172.3171-62.1-163.8-45.8-140.38.9110.6D83 G84 E85 V87R81-D83 VanDerWaalsContact C-N 3.26Å; R81-D83 WeakPolarHBondContact CB-OD1 3.48Å; R81-D83 IonicContact CZ-OD2 3.06Å; R81-D83 IonicContact NE-OD1 3.05Å; R81-D83 PolarHBondContact NE-OD1 2.84Å; R81-D83 IonicContact NE-OD2 2.72Å; R81-D83 PolarHBondContact NE-OD2 3.22Å; R81-D83 IonicContact NH2-OD1 3.13Å; R81-D83 IonicContact NH2-OD2 3.4Å; R81-D83 PolarHBondContact NH2-OD2 3.26Å; R81-D83 PolarHBondContact O-N 2.87Å; R81-G84 WeakPolarHBondContact O-CA 3.34Å; R81-G84 PolarHBondContact O-N 3.49Å; R81-E85 IonicContact CZ-OE2 2.79Å; R81-E85 PolarHBondContact N-O 3.2Å; R81-E85 IonicContact NH1-OE2 3.63Å; R81-E85 IonicContact NH2-OE2 3.82Å; R81-E85 PolarHBondContact NH2-OE2 2.85Å; R81-V87 HydrophobicContact CG-CG2 3.62Å
82Y80.4Confident74.4Confident190 Ų190103.1 Ų103.175%0.74553%0.532SS*.THydrogen-bonded Turntrans-66.2-25.5-178.974.1-93.5000113.9G84Y82-G84 PolarHBondContact O-N 2.87Å
83D79.5Confident73.2Confident52 Ų52107.3 Ų107.328%0.27856%0.555SS.*THydrogen-bonded Turntrans-78.8-1.1171.757.14.1000112.2K66 R81 E85K66-D83 PolarHBondContact NZ-O 3.47Å; R81-D83 VanDerWaalsContact C-N 3.26Å; R81-D83 WeakPolarHBondContact CB-OD1 3.48Å; R81-D83 IonicContact CZ-OD2 3.06Å; R81-D83 IonicContact NE-OD1 3.05Å; R81-D83 PolarHBondContact NE-OD1 2.84Å; R81-D83 IonicContact NE-OD2 2.72Å; R81-D83 PolarHBondContact NE-OD2 3.22Å; R81-D83 IonicContact NH2-OD1 3.13Å; R81-D83 IonicContact NH2-OD2 3.4Å; R81-D83 PolarHBondContact NH2-OD2 3.26Å; R81-D83 PolarHBondContact O-N 2.87Å; D83-E85 PolarHBondContact O-N 2.91Å; D83-E85 WeakPolarHBondContact OD1-CB 3.31Å; D83-E85 PolarHBondContact OD1-N 3.18Å
84G77.8Confident72Confident13 Ų13111 Ų11113%0.13456%0.562CS.*SBendtrans68.116.6-175.300000113.8K66 R81 Y82K66-G84 PolarHBondContact NZ-O 3.4Å; R81-G84 WeakPolarHBondContact O-CA 3.34Å; R81-G84 PolarHBondContact O-N 3.49Å; Y82-G84 PolarHBondContact O-N 2.87Å
85E82Confident70.5Confident100 Ų100108 Ų10847%0.46756%0.555SS.*  trans-75139.5165.4-66.8-168.9175.400109R81 D83R81-E85 IonicContact CZ-OE2 2.79Å; R81-E85 PolarHBondContact N-O 3.2Å; R81-E85 IonicContact NH1-OE2 3.63Å; R81-E85 IonicContact NH2-OE2 3.82Å; R81-E85 PolarHBondContact NH2-OE2 2.85Å; D83-E85 PolarHBondContact O-N 2.91Å; D83-E85 WeakPolarHBondContact OD1-CB 3.31Å; D83-E85 PolarHBondContact OD1-N 3.18Å
86P79.7Confident69.3Low87 Ų87109.9 Ų109.957%0.56556%0.564SS**BIsolated β-bridgetrans-61.1141.9172.326.9-32.2000109.2G79 E88G79-P86 CarbonylContact O-C 3.58Å; G79-P86 WeakPolarHBondContact O-CA 3.45Å; P86-E88 PolarHBondContact O-N 3.13Å; P86-E88 VanDerWaalsContact O-N 3.09Å
87V77.1Confident68.4Low71 Ų71108.9 Ų108.943%0.4357%0.571SS.*  trans-69.7105.8166.3178.90000105.5G79 R81 E89G79-V87 PolarHBondContact O-N 2.93Å; R81-V87 HydrophobicContact CG-CG2 3.62Å; V87-E89 HydrophobicContact CG1-CG 4.49Å; V87-E89 PolarHBondContact O-N 2.63Å
88E74.1Confident67.6Low166 Ų166111.4 Ų111.478%0.77659%0.59SS**  trans-65.296.7165.2-63.7-157.2177.600106.7P86 T90P86-E88 PolarHBondContact O-N 3.13Å; P86-E88 VanDerWaalsContact O-N 3.09Å; E88-T90 PolarHBondContact O-N 2.79Å
89E66Low66.2Low161 Ų161110 Ų11075%0.75259%0.592SS**  trans-64.188.4160.8-67.3-177.7-172.500105V87 T91V87-E89 HydrophobicContact CG1-CG 4.49Å; V87-E89 PolarHBondContact O-N 2.63Å; E89-T91 PolarHBondContact O-N 3.39Å
90T62.4Low65.3Low117 Ų117113.8 Ų113.872%0.71861%0.607SS**  trans-57.499.1162.255.90000104.2E88 C92E88-T90 PolarHBondContact O-N 2.79Å; T90-C92 VanDerWaalsContact C-N 3.3Å; T90-C92 PolarHBondContact O-N 3.05Å
91T56Low63.8Low102 Ų102115.6 Ų115.663%0.62663%0.627SS**  trans-53.4111.8164.849.40000103.3E89 D93E89-T91 PolarHBondContact O-N 3.39Å; T91-D93 WeakPolarHBondContact CB-OD2 3.38Å; T91-D93 PolarHBondContact O-N 2.9Å; T91-D93 PolarHBondContact OG1-OD2 2.88Å
92C53.5Low62.1Low99 Ų99118.6 Ų118.667%0.66965%0.646SS**  trans-72.957.8173.5-157.90000105.9T90 E94 V95T90-C92 VanDerWaalsContact C-N 3.3Å; T90-C92 PolarHBondContact O-N 3.05Å; C92-E94 PolarHBondContact O-N 3.17Å; C92-V95 VanDerWaalsContact SG-CG2 3.56Å
93D55.3Low60.2Low128 Ų128118.3 Ų118.368%0.68465%0.651SS**THydrogen-bonded Turntrans-70.2115.7166.6-69.1-48.8000103.9T91T91-D93 WeakPolarHBondContact CB-OD2 3.38Å; T91-D93 PolarHBondContact O-N 2.9Å; T91-D93 PolarHBondContact OG1-OD2 2.88Å
94E57.1Low58.2Low183 Ų183124.9 Ų124.986%0.85568%0.68SS**THydrogen-bonded Turntrans82.647.2163.4-144.2170.4-159.700117C92C92-E94 PolarHBondContact O-N 3.17Å
95V55.3Low56.5Low106 Ų106132.6 Ų132.664%0.64271%0.713SS**  trans-96.488.9136.6-70.60000107.7C92 C97C92-V95 VanDerWaalsContact SG-CG2 3.56Å; V95-C97 PolarHBondContact O-N 2.92Å
96H48.2Very low54.5Low147 Ų147136.2 Ų136.268%0.68173%0.727SS**  trans-32.686.3149.3178.4-63.9000109.1C98H96-C98 PolarHBondContact O-N 3.14Å
97C55.6Low52.6Low116 Ų116138.3 Ų138.378%0.78474%0.741SS**  trans-56.7108.6168-82.50000104.3V95 E99V95-C97 PolarHBondContact O-N 2.92Å; C97-E99 PolarHBondContact O-N 3.47Å
98C51.3Low51.2Low102 Ų102139.4 Ų139.469%0.68976%0.757SS**  trans-39.4111.9-179.7-60.40000108.7H96 V100H96-C98 PolarHBondContact O-N 3.14Å; C98-V100 PolarHBondContact O-N 3.06Å
99E46.6Very low49.9Very low172 Ų172136.1 Ų136.180%0.80476%0.759SS**  trans-63.291.6173.4-167.3175.2163.400106C97 A101C97-E99 PolarHBondContact O-N 3.47Å; E99-A101 PolarHBondContact O-N 2.95Å
100V55.1Low48.7Very low119 Ų119135.5 Ų135.572%0.72177%0.765SS**  trans-73.186.6169.7177.90000105.1C98 E102C98-V100 PolarHBondContact O-N 3.06Å; V100-E102 HydrophobicContact CG1-CB 4.28Å; V100-E102 PolarHBondContact O-N 3.29Å
101A44.1Very low47.8Very low91 Ų91137.8 Ų137.875%0.75277%0.77SS**  trans-66.787.8163.700000107.8E99E99-A101 PolarHBondContact O-N 2.95Å
102E48Very low47Very low169 Ų169138.3 Ų138.379%0.7977%0.773SS**  trans-131.689.8162.1-145.9174.317500109V100V100-E102 HydrophobicContact CG1-CB 4.28Å; V100-E102 PolarHBondContact O-N 3.29Å
103E39.5Very low46.6Very low184 Ų184139.8 Ų139.886%0.8678%0.781SS**  trans32.1115.5139.3-132.2165.8141.800118.8
104Q37.7Very low46.4Very low189 Ų189142.8 Ų142.888%0.88379%0.788SS**  trans-35.7127.2160.6-58.6176.8-54.200114.1
105E43Very low46.1Very low175 Ų175139.7 Ų139.782%0.81878%0.784SS**  -160.8125.2125.9-141.4-174.911500113.6
106K38.6Very low45.7Very low176 Ų176140.1 Ų140.177%0.76579%0.792SS**  trans85105.2151-142.6166.5-170.6168.80119.5A108K106-A108 PolarHBondContact O-N 2.94Å
107P39.7Very low45.7Very low132 Ų132137.4 Ų137.486%0.85780%0.795SS**  trans-80.7118.4171.431.7-28.1000110
108A47.8Very low45.1Very low94 Ų94139.3 Ų139.378%0.77780%0.796SS**  trans-138.2124.1165.800000110.5K106K106-A108 PolarHBondContact O-N 2.94Å
109A47.4Very low45.2Very low97 Ų97139.4 Ų139.480%0.80280%0.796SS**  trans67.786.7163.100000117.8M111A109-M111 PolarHBondContact O-N 3.35Å; A109-M111 VanDerWaalsContact O-N 3.16Å
110V40.5Very low45.1Very low148 Ų148137.8 Ų137.890%0.89780%0.798SS**  trans-51.2105.6146175.60000109.6
111M43.8Very low44.9Very low165 Ų165137.5 Ų137.581%0.81380%0.796SS**  trans-147.496.3152.4-72-158.677.600110.3A109A109-M111 PolarHBondContact O-N 3.35Å; A109-M111 VanDerWaalsContact O-N 3.16Å
112T38.5Very low45.2Very low113 Ų113138.7 Ų138.769%0.69380%0.796SS**  trans40.8109.414554.50000118.4K114T112-K114 PolarHBondContact O-N 2.72Å
113P46.3Very low45.2Very low129 Ų129139 Ų13984%0.83880%0.798SS**  trans-67.5119.1167.423.3-22.7000109.5
114K50.7Low45.2Very low191 Ų191132.6 Ų132.683%0.8378%0.78SS**  trans-60.1128.6167.3-177.4169.9-176.1170.10107.9T112 S116T112-K114 PolarHBondContact O-N 2.72Å; K114-S116 PolarHBondContact O-N 3.05Å
115P50.4Low45.7Very low118 Ų118131.5 Ų131.577%0.76678%0.775SS**  trans-60.1112.9175.321-29.1000108.6A117P115-A117 PolarHBondContact O-N 2.93Å; P115-A117 VanDerWaalsContact O-N 3.09Å
116S47.9Very low46Very low115 Ų115133 Ų13380%0.80478%0.775SS**  trans-64.4108.1173-171.20000107.1K114 L118K114-S116 PolarHBondContact O-N 3.05Å; S116-L118 PolarHBondContact O-N 3.15Å
117A48.3Very low46.5Very low91 Ų91134 Ų13475%0.75278%0.779SS**PPolyproline II helixtrans-59.9121.5173.700000108P115P115-A117 PolarHBondContact O-N 2.93Å; P115-A117 VanDerWaalsContact O-N 3.09Å
118L42.3Very low47.2Very low155 Ų155136.5 Ų136.581%0.81278%0.777SS**PPolyproline II helixtrans-51.9137.3173.3-69.4167.9000109.1S116 T120S116-L118 PolarHBondContact O-N 3.15Å; L118-T120 PolarHBondContact O-N 2.77Å; L118-T120 VanDerWaalsContact O-N 3.12Å
119P52.3Low47.7Very low105 Ų105140.9 Ų140.968%0.68278%0.781SS**PPolyproline II helixtrans-59.7122.9175.724.5-31.4000108.2T121P119-T121 PolarHBondContact O-N 2.81Å
120T45.6Very low48.1Very low137 Ų137144 Ų14484%0.8478%0.783SS**  trans-6284.1164.1-47.60000106.8L118 P122L118-T120 PolarHBondContact O-N 2.77Å; L118-T120 VanDerWaalsContact O-N 3.12Å; T120-P122 VanDerWaalsContact O-CD 3.28Å; T120-P122 WeakPolarHBondContact O-CD 3.41Å; T120-P122 VanDerWaalsContact O-N 3.1Å
121T50.7Low48.6Very low113 Ų113142.8 Ų142.869%0.69378%0.777SS**  trans-60.8116.2172.741.60000106.6P119 H123P119-T121 PolarHBondContact O-N 2.81Å; T121-H123 PolarHBondContact O-N 2.93Å
122P49.5Very low48.6Very low116 Ų116141.2 Ų141.275%0.75378%0.777SS**  trans-59.9132.7177.425.1-30.4000107T120 G124T120-P122 VanDerWaalsContact O-CD 3.28Å; T120-P122 WeakPolarHBondContact O-CD 3.41Å; T120-P122 VanDerWaalsContact O-N 3.1Å; P122-G124 VanDerWaalsContact C-N 3.32Å; P122-G124 PolarHBondContact O-N 2.86Å
123H49.4Very low49.3Very low177 Ų177143.3 Ų143.382%0.81978%0.782SS**  trans-50.198179.4-152.664.1000108.3T121 H125T121-H123 PolarHBondContact O-N 2.93Å; H123-H125 PolarHBondContact O-CD2 2.93Å; H123-H125 PolarHBondContact O-N 2.76Å
124G39.8Very low49.3Very low48 Ų48145.1 Ų145.150%0.49578%0.779SS.*  trans-70.8105.6-170.100000108.4P122 Y126P122-G124 VanDerWaalsContact C-N 3.32Å; P122-G124 PolarHBondContact O-N 2.86Å; G124-Y126 PolarHBondContact O-N 3.21Å
125H47.4Very low48.9Very low166 Ų166144.2 Ų144.277%0.76978%0.784SS**  trans-64.670.2166.2-55.8-82.7000109.3H123 F127H123-H125 PolarHBondContact O-CD2 2.93Å; H123-H125 PolarHBondContact O-N 2.76Å; H125-F127 PolarHBondContact O-N 3.46Å
126Y48.5Very low48.5Very low207 Ų207143.7 Ų143.781%0.81278%0.782SS**  trans-80.363.6171.3-73.3-82.3000109.6G124 K128G124-Y126 PolarHBondContact O-N 3.21Å; Y126-K128 PolarHBondContact O-N 2.95Å
127F49.1Very low48.2Very low196 Ų196140.7 Ų140.786%0.8677%0.77SS**  trans-89.397.2155.3-81.9-82.7000107H125 Q129H125-F127 PolarHBondContact O-N 3.46Å; F127-Q129 PolarHBondContact O-N 2.85Å
128K54.4Low48Very low186 Ų186144.8 Ų144.881%0.80977%0.771SS**  trans-60.6105.9164.1-70-175.4179.6-1780106.8Y126 L130Y126-K128 PolarHBondContact O-N 2.95Å; K128-L130 PolarHBondContact O-N 2.83Å
129Q58.3Low48.1Very low185 Ų185143 Ų14386%0.86477%0.766SS**  trans-62.4105.8174.9-165171.5-9.900107.5F127 T131F127-Q129 PolarHBondContact O-N 2.85Å; Q129-T131 PolarHBondContact O-N 2.78Å; Q129-T131 VanDerWaalsContact O-N 3.09Å
130L57Low47.6Very low162 Ų162145 Ų14585%0.84877%0.766SS**  trans-63.8111.1174.4-67.4169.9000107.1K128 T132K128-L130 PolarHBondContact O-N 2.83Å; L130-T132 PolarHBondContact O-N 2.81Å
131T50.7Low47.6Very low124 Ų124145.2 Ų145.276%0.76176%0.76SS**  trans-67117.2170.341.90000108.1Q129 I133Q129-T131 PolarHBondContact O-N 2.78Å; Q129-T131 VanDerWaalsContact O-N 3.09Å; T131-I133 PolarHBondContact O-N 2.82Å
132T44.1Very low47.3Very low132 Ų132149 Ų14981%0.8177%0.768SS**  trans-50.3112.1165.8-60.60000108.1L130 E134L130-T132 PolarHBondContact O-N 2.81Å; T132-E134 PolarHBondContact O-N 2.71Å
133I53.2Low46.9Very low157 Ų157149.2 Ų149.281%0.80577%0.766SS**  trans-67.8116.5169.9-61170.9000105.4T131 D135T131-I133 PolarHBondContact O-N 2.82Å; I133-D135 PolarHBondContact O-N 2.75Å
134E45.5Very low46.5Very low167 Ų167148.2 Ų148.278%0.7876%0.762SS**  trans-52.2132.1172.5-71.9-176.5142.900109.6T132 S136T132-E134 PolarHBondContact O-N 2.71Å; E134-S136 PolarHBondContact O-N 3.13Å
135D43.6Very low46.8Very low172 Ų172155.3 Ų155.392%0.9278%0.779SS**  trans-64.573.1169.9-175.323.4000109.1I133I133-D135 PolarHBondContact O-N 2.75Å
136S42Very low46.5Very low106 Ų106155.5 Ų155.574%0.74178%0.78SS**  trans-103.1106.3-178.8179.30000109.2E134E134-S136 PolarHBondContact O-N 3.13Å
137G41.1Very low46.1Very low52 Ų52151 Ų15154%0.53678%0.779SS.*  trans94.989.4151.700000114.2V139G137-V139 PolarHBondContact O-N 3.14Å
138K44Very low45.5Very low178 Ų178149.2 Ų149.277%0.77478%0.778SS**  trans-30.886.8136.6178.1179.7179.7-85.70110.8E140K138-E140 IonicContact NZ-OE2 3.5Å; K138-E140 PolarHBondContact NZ-OE2 2.76Å; K138-E140 PolarHBondContact O-N 3.39Å
139V44.6Very low44.7Very low117 Ų117145.8 Ų145.871%0.70977%0.774SS**  trans-82.296.9164-179.10000105.6G137 I141G137-V139 PolarHBondContact O-N 3.14Å; V139-I141 WeakPolarHBondContact O-CG1 2.87Å; V139-I141 PolarHBondContact O-N 3.39Å
140E40.8Very low43.9Very low146 Ų146145.3 Ų145.368%0.68277%0.772SS**  trans-64.784.4168.7-170.9167.5160.800108.1K138 K142K138-E140 IonicContact NZ-OE2 3.5Å; K138-E140 PolarHBondContact NZ-OE2 2.76Å; K138-E140 PolarHBondContact O-N 3.39Å; E140-K142 PolarHBondContact O-N 3.35Å
141I46.2Very low42.9Very low142 Ų142142.9 Ų142.973%0.72877%0.769SS**  trans-70.890.9171.47.6168.9000107.3V139 V143V139-I141 WeakPolarHBondContact O-CG1 2.87Å; V139-I141 PolarHBondContact O-N 3.39Å; I141-V143 HydrophobicContact CB-CG2 4.2Å; I141-V143 HydrophobicContact CG2-CG2 4.38Å; I141-V143 PolarHBondContact O-N 3.18Å
142K44.3Very low42.3Very low194 Ų194143 Ų14384%0.84376%0.764SS**  trans-66.777.4163.2-171.4-172.9177.4-162.40107.6E140 E144E140-K142 PolarHBondContact O-N 3.35Å; K142-E144 PolarHBondContact O-N 2.82Å; K142-E144 VanDerWaalsContact O-N 3.15Å
143V40.8Very low41.7Very low120 Ų120146.6 Ų146.673%0.72777%0.765SS**  trans-77.5104.1171.1-179.40000107.1I141 K145I141-V143 HydrophobicContact CB-CG2 4.2Å; I141-V143 HydrophobicContact CG2-CG2 4.38Å; I141-V143 PolarHBondContact O-N 3.18Å; V143-K145 PolarHBondContact O-N 2.86Å
144E40.6Very low41Very low156 Ų156143.6 Ų143.673%0.72976%0.758SS**  trans-51131.8171-146.4167.3178.800109.4K142 E146K142-E144 PolarHBondContact O-N 2.82Å; K142-E144 VanDerWaalsContact O-N 3.15Å; E144-E146 PolarHBondContact O-N 2.86Å
145K47Very low40.6Very low196 Ų196144.5 Ų144.585%0.85276%0.762SS**  trans-71.964.7176.8-66-93.4-164173.20109V143 S147V143-K145 PolarHBondContact O-N 2.86Å; K145-S147 PolarHBondContact O-N 2.78Å; K145-S147 PolarHBondContact O-OG 2.76Å
146E41Very low40.2Very low171 Ų171144 Ų14480%0.79976%0.759SS**  trans-64.9111.5165.3-74.8-161.1146.400107.2E144 L148E144-E146 PolarHBondContact O-N 2.86Å; E146-L148 PolarHBondContact O-N 2.71Å
147S39.7Very low39.8Very low113 Ų113144.5 Ų144.579%0.7975%0.753SS**  trans-69.9104.7-165.1-56.20000108.7K145K145-S147 PolarHBondContact O-N 2.78Å; K145-S147 PolarHBondContact O-OG 2.76Å
148L36Very low39.4Very low158 Ų158151.2 Ų151.283%0.82777%0.77SS**  trans-61133.9168.6-84.4158.4000108.8E146 Q150E146-L148 PolarHBondContact O-N 2.71Å; L148-Q150 PolarHBondContact O-N 2.84Å; L148-Q150 VanDerWaalsContact O-N 3.12Å
149P39.4Very low39Very low113 Ų113150.1 Ų150.173%0.73477%0.768SS**  trans-60.7119.6-171.822.3-30.6000109.7S151P149-S151 VanDerWaalsContact C-N 3.28Å; P149-S151 PolarHBondContact O-N 2.88Å
150Q40.3Very low38.4Very low176 Ų176153.2 Ų153.282%0.82277%0.774SS**  trans-60.696.7166-64.7-172.2-68.700106.9L148 N152L148-Q150 PolarHBondContact O-N 2.84Å; L148-Q150 VanDerWaalsContact O-N 3.12Å; Q150-N152 VanDerWaalsContact C-N 3.27Å; Q150-N152 PolarHBondContact O-N 3.4Å
151S36.6Very low38.4Very low110 Ų110152 Ų15277%0.76978%0.779SS**  trans-66.898.9165.744.40000106P149 Y153P149-S151 VanDerWaalsContact C-N 3.28Å; P149-S151 PolarHBondContact O-N 2.88Å; S151-Y153 PolarHBondContact O-N 3.21Å
152N37.3Very low38Very low126 Ų126151.5 Ų151.567%0.67478%0.783SS**  trans-58.7112.3166.7-71.6-41.3000106.3Q150 S154Q150-N152 VanDerWaalsContact C-N 3.27Å; Q150-N152 PolarHBondContact O-N 3.4Å; N152-S154 PolarHBondContact O-N 3.19Å
153Y31.9Very low37.6Very low209 Ų209146.8 Ų146.882%0.8278%0.78SS**  trans-6186.7158.144.5-83.5000105.5S151 E155S151-Y153 PolarHBondContact O-N 3.21Å; Y153-E155 VanDerWaalsContact C-N 3.26Å; Y153-E155 PolarHBondContact O-N 3.07Å
154S38.8Very low37.6Very low93 Ų93149.6 Ų149.665%0.6579%0.787SS**  trans-62.2102.7165.1-66.30000106N152 L156N152-S154 PolarHBondContact O-N 3.19Å; S154-L156 VanDerWaalsContact C-N 3.27Å; S154-L156 PolarHBondContact O-N 3.25Å
155E36.3Very low37.5Very low187 Ų187147.6 Ų147.687%0.87479%0.788SS**  trans-38.194.4158.7-155.8167.2-179.600107.3Y153 N157Y153-E155 VanDerWaalsContact C-N 3.26Å; Y153-E155 PolarHBondContact O-N 3.07Å; E155-N157 PolarHBondContact O-N 3.01Å
156L34.9Very low37Very low162 Ų162144.5 Ų144.585%0.84878%0.78SS**  trans-71.990.1-179.7-77.2-174.5000107.2S154 E158S154-L156 VanDerWaalsContact C-N 3.27Å; S154-L156 PolarHBondContact O-N 3.25Å; L156-E158 PolarHBondContact O-N 3.38Å
157N34.9Very low37Very low115 Ų115145.3 Ų145.362%0.61579%0.786SS**  trans-24.2120.8158.3-177.313.8000111.6E155 Q159E155-N157 PolarHBondContact O-N 3.01Å; N157-Q159 PolarHBondContact ND2-OE1 2.89Å; N157-Q159 PolarHBondContact O-N 2.83Å
158E32.5Very low37.2Very low194 Ų194147.3 Ų147.391%0.90778%0.783SS**  trans-62.276.9171.5-62.6-171.6130.200110.2L156L156-E158 PolarHBondContact O-N 3.38Å
159Q35.7Very low37.6Very low154 Ų154143.8 Ų143.872%0.7278%0.776SS**  trans-106.293.7164.2-75.6-170.5-66.400109.1N157 P161N157-Q159 PolarHBondContact ND2-OE1 2.89Å; N157-Q159 PolarHBondContact O-N 2.83Å; Q159-P161 WeakPolarHBondContact O-CD 3.34Å
160Q32.2Very low37.7Very low182 Ų182147.3 Ų147.385%0.8578%0.783SS**  trans-40.6110.8164.3-179.7176.8-26.700111.3V162Q160-V162 PolarHBondContact O-N 3.43Å
161P40Very low37.7Very low121 Ų121145.9 Ų145.979%0.78678%0.78SS**PPolyproline II helixtrans-77.3122.9170.2-10.728000108.9Q159Q159-P161 WeakPolarHBondContact O-CD 3.34Å
162V37.6Very low37.9Very low132 Ų132146.8 Ų146.880%0.879%0.787SS**PPolyproline II helixtrans-50.4134167.91720000109.9Q160 M164Q160-V162 PolarHBondContact O-N 3.43Å; V162-M164 PolarHBondContact O-N 2.86Å
163A35.7Very low38.6Very low95 Ų95144.2 Ų144.279%0.78578%0.779SS**PPolyproline II helixtrans-51.5120.3179.300000112.2
164M41.1Very low39.6Very low178 Ų178142 Ų14288%0.87778%0.776SS**  trans-113.4139.7158.2-73.5-157.576.100110.1V162V162-M164 PolarHBondContact O-N 2.86Å
165P38.5Very low40.2Very low114 Ų114143.3 Ų143.374%0.7478%0.775SS**  trans-87.5140.6-167.8-1.622.4000113.3
166L35.7Very low41Very low132 Ų132138 Ų13869%0.69176%0.756SS**  trans43.595.7139.6-156.781.9000118.2E168L166-E168 HydrophobicContact CD1-CG 3.83Å; L166-E168 HydrophobicContact CG-CG 4.19Å
167M42.2Very low42.1Very low188 Ų188138.1 Ų138.193%0.92675%0.75SS**  trans-129.5100.4146.5-53.8-154.3106.500108A169M167-A169 PolarHBondContact O-N 2.63Å
168E42.7Very low43.2Very low154 Ų154139.5 Ų139.572%0.7275%0.75SS**  trans-71.591.9177.4-64.9174.6168.700109L166 E170L166-E168 HydrophobicContact CD1-CG 3.83Å; L166-E168 HydrophobicContact CG-CG 4.19Å; E168-E170 PolarHBondContact O-N 3.09Å
169A46.4Very low44.4Very low84 Ų84135.5 Ų135.569%0.69473%0.731SS**  trans-89.596.216400000107.9M167 L171M167-A169 PolarHBondContact O-N 2.63Å; A169-L171 VanDerWaalsContact C-N 3.25Å; A169-L171 PolarHBondContact O-N 2.85Å
170E40.7Very low46Very low188 Ų188132.5 Ų132.588%0.87972%0.721SS**  trans-5681.5170.6-75.7-94.9146.600110.8E168E168-E170 PolarHBondContact O-N 3.09Å
171L40.5Very low47.9Very low145 Ų145133.3 Ų133.376%0.75972%0.716SS**  trans-115.699.4166.3-80.7163.2000108.2A169 S173A169-L171 VanDerWaalsContact C-N 3.25Å; A169-L171 PolarHBondContact O-N 2.85Å; L171-S173 WeakPolarHBondContact O-CB 3.3Å; L171-S173 PolarHBondContact O-N 3.5Å
172S40.8Very low49.4Very low130 Ų130131.3 Ų131.391%0.90970%0.701SS**  trans-0.784.2159.2-1680000115.1
173S51.2Low51.3Low72 Ų72129 Ų12950%0.50368%0.684SS.*  trans-109.519.1-171.661.40000113.9L171 D175 T176 K177L171-S173 WeakPolarHBondContact O-CB 3.3Å; L171-S173 PolarHBondContact O-N 3.5Å; S173-D175 PolarHBondContact O-N 3.4Å; S173-T176 PolarHBondContact O-OG1 3.02Å; S173-K177 PolarHBondContact O-N 2.79Å
174Q53Low53.2Low161 Ų161129.8 Ų129.875%0.75267%0.671SS**Hα-helixtrans-65.2-26.3-176.6-112.6-148.920.900113.3
175D51.6Low54.9Low121 Ų121128.6 Ų128.665%0.64766%0.657SS**Hα-helixtrans-80.8-42.9-178.5-157.615.4000112.6S173 K177 K178 Q179S173-D175 PolarHBondContact O-N 3.4Å; D175-K177 VanDerWaalsContact C-N 3.28Å; D175-K177 PolarHBondContact O-N 3.09Å; D175-K178 PolarHBondContact O-N 3.43Å; D175-Q179 PolarHBondContact O-N 3.31Å
176T53.2Low56.5Low77 Ų77124.3 Ų124.347%0.47263%0.628SS.*Hα-helixtrans-66.1-28.9179.957.40000112.8S173 N180S173-T176 PolarHBondContact O-OG1 3.02Å; T176-N180 WeakPolarHBondContact O-CB 3.23Å; T176-N180 PolarHBondContact O-N 2.8Å; T176-N180 VanDerWaalsContact O-N 3.08Å; T176-N180 PolarHBondContact O-ND2 2.74Å
177K58.6Low58.1Low163 Ų163123.1 Ų123.171%0.70962%0.619SS**Hα-helixtrans-68.4-33.2177.2-162169.1-175.4172.10112.6S173 D175 R181S173-K177 PolarHBondContact O-N 2.79Å; D175-K177 VanDerWaalsContact C-N 3.28Å; D175-K177 PolarHBondContact O-N 3.09Å; K177-R181 PolarHBondContact O-N 2.78Å
178K57.7Low59.4Low144 Ų144122.6 Ų122.663%0.62661%0.606SS**Hα-helixtrans-71.3-46.4175.8-74.6-176.6-178.71750111.2D175 N180 R181 V182D175-K178 PolarHBondContact O-N 3.43Å; K178-N180 PolarHBondContact O-N 3.42Å; K178-R181 WeakPolarHBondContact O-CB 3.43Å; K178-R181 PolarHBondContact O-N 2.84Å; K178-R181 VanDerWaalsContact O-N 3.11Å; K178-V182 PolarHBondContact O-N 2.88Å
179Q57.9Low60.4Low110 Ų110118.4 Ų118.451%0.51459%0.588SS.*Hα-helixtrans-58.7-45.5177.1-75.2-165.5-29.800112.2D175 R181 V182 L183D175-Q179 PolarHBondContact O-N 3.31Å; Q179-R181 PolarHBondContact O-N 2.73Å; Q179-V182 PolarHBondContact O-N 3.3Å; Q179-V182 VanDerWaalsContact O-N 3.17Å; Q179-L183 PolarHBondContact O-N 3.5Å
180N68.8Low61.1Low92 Ų92119.1 Ų119.149%0.49257%0.573SS.*Hα-helixtrans-59.5-33.6176.5-82.9-39.9000113T176 K178 Q184T176-N180 WeakPolarHBondContact O-CB 3.23Å; T176-N180 PolarHBondContact O-N 2.8Å; T176-N180 VanDerWaalsContact O-N 3.08Å; T176-N180 PolarHBondContact O-ND2 2.74Å; K178-N180 PolarHBondContact O-N 3.42Å; N180-Q184 WeakPolarHBondContact O-CB 3.42Å; N180-Q184 VanDerWaalsContact O-CG 3.26Å; N180-Q184 WeakPolarHBondContact O-CG 3.47Å; N180-Q184 PolarHBondContact O-N 2.98Å
181R71.4Confident62.1Low199 Ų199118.7 Ų118.775%0.75157%0.568SS**Hα-helixtrans-70.7-38.4178.3-166.8178.2175.2-173-1.7112.3K177 K178 Q179 W185K177-R181 PolarHBondContact O-N 2.78Å; K178-R181 WeakPolarHBondContact O-CB 3.43Å; K178-R181 PolarHBondContact O-N 2.84Å; K178-R181 VanDerWaalsContact O-N 3.11Å; Q179-R181 PolarHBondContact O-N 2.73Å; R181-W185 WeakPolarHBondContact O-CB 3.13Å; R181-W185 PolarHBondContact O-N 2.89Å
182V72.9Confident63Low79 Ų79120.3 Ų120.348%0.47957%0.569SS.*Hα-helixtrans-65.9-45.4176177.90000110.2K178 Q179 Q184 W185 L186K178-V182 PolarHBondContact O-N 2.88Å; Q179-V182 PolarHBondContact O-N 3.3Å; Q179-V182 VanDerWaalsContact O-N 3.17Å; V182-Q184 PolarHBondContact O-N 2.88Å; V182-W185 WeakPolarHBondContact O-CB 3.43Å; V182-W185 PolarHBondContact O-N 3.11Å; V182-L186 HydrophobicContact CG1-CD1 4.31Å; V182-L186 WeakPolarHBondContact O-CG 3.32Å; V182-L186 PolarHBondContact O-N 2.85Å
183L76.5Confident64.1Low83 Ų83119.6 Ų119.644%0.43556%0.555SS.*Hα-helixtrans-61.3-45.5175.9-65.7177.9000111.8Q179 W185 L186 H187Q179-L183 PolarHBondContact O-N 3.5Å; L183-W185 VanDerWaalsContact C-N 3.29Å; L183-W185 PolarHBondContact O-N 2.86Å; L183-L186 WeakPolarHBondContact O-CB 3.44Å; L183-L186 PolarHBondContact O-N 2.7Å; L183-L186 VanDerWaalsContact O-N 3.16Å; L183-H187 PolarHBondContact O-CD2 2.9Å; L183-H187 PolarHBondContact O-N 2.9Å
184Q76.5Confident64.4Low111 Ų111125 Ų12552%0.51957%0.57SS.*Hα-helixtrans-60.4-37.6175.5-76.3-179.514.100112.8N180 V182 H187 R188N180-Q184 WeakPolarHBondContact O-CB 3.42Å; N180-Q184 VanDerWaalsContact O-CG 3.26Å; N180-Q184 WeakPolarHBondContact O-CG 3.47Å; N180-Q184 PolarHBondContact O-N 2.98Å; V182-Q184 PolarHBondContact O-N 2.88Å; Q184-H187 PolarHBondContact O-N 3.06Å; Q184-R188 WeakPolarHBondContact O-CG 3.28Å; Q184-R188 PolarHBondContact O-N 2.79Å; Q184-R188 VanDerWaalsContact O-N 3.16Å
185W75.8Confident64.6Low153 Ų153125.8 Ų125.858%0.5857%0.573SS**Hα-helixtrans-64.9-43.4174.5175.577.9000111.6R181 V182 L183 H187 R188 I189R181-W185 WeakPolarHBondContact O-CB 3.13Å; R181-W185 PolarHBondContact O-N 2.89Å; V182-W185 WeakPolarHBondContact O-CB 3.43Å; V182-W185 PolarHBondContact O-N 3.11Å; L183-W185 VanDerWaalsContact C-N 3.29Å; L183-W185 PolarHBondContact O-N 2.86Å; W185-H187 PolarHBondContact O-N 2.97Å; W185-R188 WeakPolarHBondContact O-CB 3.12Å; W185-R188 PolarHBondContact O-N 2.96Å; W185-I189 HydrophobicContact CD2-CD1 3.89Å; W185-I189 HydrophobicContact CE3-CD1 4.04Å; W185-I189 HydrophobicContact CH2-CD1 3.66Å; W185-I189 HydrophobicContact CZ2-CD1 3.49Å; W185-I189 VanDerWaalsContact CZ2-CD1 3.49Å; W185-I189 HydrophobicContact CZ3-CD1 3.93Å; W185-I189 PolarHBondContact O-N 2.76Å
186L71.7Confident64.7Low24 Ų24122.5 Ų122.513%0.12657%0.568CS.*Hα-helixtrans-62.7-40.8174.7-69.2175.2000112.5L43 V182 L183 R188 I189 R190L43-L186 HydrophobicContact CD2-CD2 3.61Å; V182-L186 HydrophobicContact CG1-CD1 4.31Å; V182-L186 WeakPolarHBondContact O-CG 3.32Å; V182-L186 PolarHBondContact O-N 2.85Å; L183-L186 WeakPolarHBondContact O-CB 3.44Å; L183-L186 PolarHBondContact O-N 2.7Å; L183-L186 VanDerWaalsContact O-N 3.16Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 2.94Å; L186-I189 PolarHBondContact O-N 3.19Å; L186-R190 PolarHBondContact O-N 3.13Å
187H69.6Low65.4Low108 Ų108124.6 Ų124.650%0.558%0.583SS.*Hα-helixtrans-61.5-35174.7-72.9-63.6000112.7L183 Q184 W185 K191L183-H187 PolarHBondContact O-CD2 2.9Å; L183-H187 PolarHBondContact O-N 2.9Å; Q184-H187 PolarHBondContact O-N 3.06Å; W185-H187 PolarHBondContact O-N 2.97Å; H187-K191 PolarHBondContact O-N 2.75Å
188R69.5Low65.7Low176 Ų176122.6 Ų122.666%0.66459%0.586SS**Hα-helixtrans-67.4-38.8175.3-71.3174.8-172.51782.8112.2Q184 W185 L186 K191 K192Q184-R188 WeakPolarHBondContact O-CG 3.28Å; Q184-R188 PolarHBondContact O-N 2.79Å; Q184-R188 VanDerWaalsContact O-N 3.16Å; W185-R188 WeakPolarHBondContact O-CB 3.12Å; W185-R188 PolarHBondContact O-N 2.96Å; L186-R188 VanDerWaalsContact C-N 3.28Å; L186-R188 PolarHBondContact O-N 2.94Å; R188-K191 PolarHBondContact O-N 3.35Å; R188-K192 PolarHBondContact O-N 2.99Å
189I65.1Low65.9Low67 Ų67123.5 Ų123.534%0.34460%0.598SS.*Hα-helixtrans-66.3-45.1177.8-63.7170000110.3W185 L186 K191 K192 N193W185-I189 HydrophobicContact CD2-CD1 3.89Å; W185-I189 HydrophobicContact CE3-CD1 4.04Å; W185-I189 HydrophobicContact CH2-CD1 3.66Å; W185-I189 HydrophobicContact CZ2-CD1 3.49Å; W185-I189 VanDerWaalsContact CZ2-CD1 3.49Å; W185-I189 HydrophobicContact CZ3-CD1 3.93Å; W185-I189 PolarHBondContact O-N 2.76Å; L186-I189 PolarHBondContact O-N 3.19Å; I189-K191 VanDerWaalsContact C-N 3.3Å; I189-K191 PolarHBondContact O-N 3.01Å; I189-K192 PolarHBondContact O-N 2.75Å; I189-N193 PolarHBondContact O-N 3.43Å
190R60.2Low65.8Low98 Ų98123.1 Ų123.137%0.3761%0.608SS.*Hα-helixtrans-58.4-39.8177.4-71.6-171.8-175154.710.3112.7N42 L186 K192 N193 K194N42-R190 VanDerWaalsContact C-NH2 3.34Å; N42-R190 PolarHBondContact O-NH2 2.8Å; L186-R190 PolarHBondContact O-N 3.13Å; R190-K192 VanDerWaalsContact C-N 3.26Å; R190-K192 PolarHBondContact O-N 3.29Å; R190-N193 PolarHBondContact O-N 3.22Å; R190-K194 PolarHBondContact O-N 3.09Å
191K62.6Low65.5Low180 Ų180124.5 Ų124.578%0.78362%0.622SS**Hα-helixtrans-63.5-29177.1-86.9-167.8174.8-173.10113.2H187 R188 I189H187-K191 PolarHBondContact O-N 2.75Å; R188-K191 PolarHBondContact O-N 3.35Å; I189-K191 VanDerWaalsContact C-N 3.3Å; I189-K191 PolarHBondContact O-N 3.01Å
192K59.4Low64.7Low179 Ų179126.9 Ų126.978%0.77863%0.631SS**Hα-helixtrans-76.9-24.9179.2-74.2-156.5168.2-166.20114.2R188 I189 R190R188-K192 PolarHBondContact O-N 2.99Å; I189-K192 PolarHBondContact O-N 2.75Å; R190-K192 VanDerWaalsContact C-N 3.26Å; R190-K192 PolarHBondContact O-N 3.29Å
193N62.6Low63.9Low114 Ų114135.2 Ų135.261%0.6167%0.665SS**SBendtrans-99.43.5-177.4-65.1-24.9000113.8I189 R190I189-N193 PolarHBondContact O-N 3.43Å; R190-N193 PolarHBondContact O-N 3.22Å
194K56.9Low63.3Low187 Ų187137.9 Ų137.981%0.81368%0.676SS**SBendtrans-79.4-16.9177.7-86.9-148.3176.4-163.20113.9R190 G196R190-K194 PolarHBondContact O-N 3.09Å; K194-G196 PolarHBondContact O-N 3.12Å
195E58.1Low62.6Low176 Ų176139.3 Ų139.382%0.82268%0.684SS**SBendtrans-86.7107.2170.2-64.3-167.2-171.100107.3
196G53.3Low61.9Low53 Ų53138.5 Ų138.555%0.54669%0.69SS.*PPolyproline II helixtrans-56.4163.2167.100000110.1K194K194-G196 PolarHBondContact O-N 3.12Å
197P67.7Low61.3Low121 Ų121145.2 Ų145.279%0.78672%0.724SS**PPolyproline II helixtrans-47.8135.2174.6-22.831.9000109.5D199P197-D199 PolarHBondContact O-N 2.98Å
198P64.6Low60.8Low120 Ų120147.6 Ų147.678%0.77974%0.737SS**PPolyproline II helixtrans-53.8129.7175.421.8-31.4000108.2S200P198-S200 PolarHBondContact O-N 3.22Å
199D63.2Low60.2Low163 Ų163145.7 Ų145.787%0.87274%0.742SS**  trans-53.5105.7172.3-76.9-43.4000107.2P197P197-D199 PolarHBondContact O-N 2.98Å
200S55.1Low59.9Low103 Ų103151.3 Ų151.372%0.7277%0.771SS**  trans-59.9125.3176.749.70000107.3P198 R202P198-S200 PolarHBondContact O-N 3.22Å; S200-R202 PolarHBondContact O-N 3.5Å; S200-R202 VanDerWaalsContact O-N 3.12Å
201P62.7Low59.8Low121 Ų121155.4 Ų155.479%0.78680%0.802SS**  trans-57.2124.1176.721.8-30.2000108.3E203P201-E203 PolarHBondContact O-N 3.16Å; P201-E203 VanDerWaalsContact O-N 3.08Å
202R54.9Low59.6Low248 Ų248153.3 Ų153.394%0.93680%0.803SS**  trans-66.3102172.9-175.6177.9-173.6161.91.7107.6S200S200-R202 PolarHBondContact O-N 3.5Å; S200-R202 VanDerWaalsContact O-N 3.12Å
203E56.6Low59.6Low255 Ų255151 Ų151100%1.19281%0.806SS**  trans-70.20158.2-74.9-172.5154.100110.6P201P201-E203 PolarHBondContact O-N 3.16Å; P201-E203 VanDerWaalsContact O-N 3.08Å

Retrieved 203 of 203 residues in 125.5 ms (Link to these results)

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