A0A3Q0KGM0_SCHMA Loading...

AP complex subunit sigma

AlphaFold DB (A0A5K4EEX2), UniProt , Accession A0A3Q0KGM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 163 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
1M90.9Very high96.1Very high53 Ų5336.7 Ų36.726%0.26116%0.16SC..  0137.20-170.2-173.47600113.5I21 E72 D75 E122M1-I21 HydrophobicContact CE-CD1 3.5Å; M1-I21 HydrophobicContact CE-CG1 3.77Å; M1-E72 PolarHBondContact N-OE2 3Å; M1-E72 VanDerWaalsContact N-OE2 3.08Å; M1-E72 PolarHBondContact O-N 3.49Å; M1-D75 PolarHBondContact N-OD1 2.8Å; M1-D75 PolarHBondContact N-OD2 3.17Å; M1-E122 WeakPolarHBondContact CA-OE1 3.28Å; M1-E122 VanDerWaalsContact CB-OE1 3.27Å; M1-E122 WeakPolarHBondContact CB-OE1 3.35Å; M1-E122 WeakPolarHBondContact CG-OE1 3.45Å
2M95.8Very high96Very high13 Ų1336.2 Ų36.26%0.06417%0.172CC..EExtended strand (participates in β ladder)trans-76.9127.5172.7-179.518048.200112L5 Y20 A69 A70 V71 M118 G121M2-L5 HydrophobicContact SD-CB 4.03Å; M2-Y20 HydrophobicContact CE-CD2 3.86Å; M2-Y20 HydrophobicContact CE-CE2 3.15Å; M2-Y20 HydrophobicContact CG-CD2 4.36Å; M2-Y20 HydrophobicContact CG-CE2 4.43Å; M2-Y20 WeakPolarHBondContact O-CB 3.28Å; M2-Y20 HydrophobicContact SD-CE2 4.16Å; M2-A69 HydrophobicContact CG-CB 4.41Å; M2-A69 HydrophobicContact SD-CB 3.87Å; M2-A70 CarbonylContact C-O 3.56Å; M2-A70 WeakPolarHBondContact CA-O 3.31Å; M2-V71 HydrophobicContact CB-CG1 4.15Å; M2-V71 HydrophobicContact CG-CG1 4.36Å; M2-M118 HydrophobicContact CE-CE 3.35Å; M2-M118 HydrophobicContact CE-SD 3.31Å; M2-M118 WeakPolarHBondContact CE-SD 3.26Å; M2-M118 HydrophobicContact SD-CE 4.3Å; M2-M118 HydrophobicContact SD-SD 4.49Å; M2-G121 WeakPolarHBondContact CB-O 3.25Å; M2-G121 PolarHBondContact N-O 3.48Å; M2-G121 WeakPolarHBondContact O-CA 3.38Å
3Q96.4Very high96Very high15 Ų1541.8 Ų41.87%0.0720%0.196CC..EExtended strand (participates in β ladder)trans-80.8-43.8-177.8-67.6-78.2-19.100112.2Y20 I21 Y23 L55 A70Q3-Y20 PolarHBondContact O-N 3.1Å; Q3-I21 VanDerWaalsContact CD-CD1 3.42Å; Q3-I21 VanDerWaalsContact NE2-CD1 3.32Å; Q3-I21 PolarHBondContact O-N 2.59Å; Q3-Y23 PolarHBondContact OE1-OH 2.87Å; Q3-L55 HydrophobicContact CB-CD1 4.4Å; Q3-L55 HydrophobicContact CG-CD1 3.97Å; Q3-L55 HydrophobicContact CG-CD2 3.89Å; Q3-A70 HydrophobicContact CB-CB 4.27Å; Q3-A70 PolarHBondContact N-O 3.38Å
4F97.4Very high96.1Very high0 Ų043.7 Ų43.70%021%0.207CC..EExtended strand (participates in β ladder)trans-161.9155.417851.8-99.6000111.6I6 K18 W19 Y23 I31 L35 W52 L55 A69 A70F4-I6 HydrophobicContact CD2-CD1 3.39Å; F4-I6 HydrophobicContact CD2-CG1 3.85Å; F4-I6 HydrophobicContact CE2-CD1 3.51Å; F4-I6 HydrophobicContact CE2-CG1 4.43Å; F4-I6 HydrophobicContact CG-CD1 4.39Å; F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.49Å; F4-K18 WeakPolarHBondContact CB-O 3.47Å; F4-W19 HydrophobicContact CB-CD2 4.11Å; F4-W19 HydrophobicContact CB-CE3 3.57Å; F4-W19 HydrophobicContact CB-CZ3 3.95Å; F4-W19 AromaticContact CD1-CE3 3.72Å; F4-W19 HydrophobicContact CD1-CE3 3.72Å; F4-W19 HydrophobicContact CD1-CH2 4.44Å; F4-W19 AromaticContact CD1-CZ3 3.43Å; F4-W19 HydrophobicContact CD1-CZ3 3.43Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.43Å; F4-W19 HydrophobicContact CD2-CZ3 4.32Å; F4-W19 AromaticContact CE1-CZ3 3.94Å; F4-W19 HydrophobicContact CE1-CZ3 3.94Å; F4-W19 AromaticContact CG-CE3 3.79Å; F4-W19 HydrophobicContact CG-CE3 3.79Å; F4-W19 HydrophobicContact CG-CH2 4.4Å; F4-W19 AromaticContact CG-CZ3 3.64Å; F4-W19 HydrophobicContact CG-CZ3 3.64Å; F4-Y23 HydrophobicContact CD1-CE2 4.02Å; F4-Y23 HydrophobicContact CE1-CE2 4.5Å; F4-I31 HydrophobicContact CE1-CD1 4.45Å; F4-I31 HydrophobicContact CE1-CG2 4.07Å; F4-I31 HydrophobicContact CE2-CG2 4.13Å; F4-I31 HydrophobicContact CZ-CG2 3.61Å; F4-L35 HydrophobicContact CE2-CD1 3.46Å; F4-L35 VanDerWaalsContact CE2-CD1 3.46Å; F4-L35 HydrophobicContact CZ-CD1 3.65Å; F4-W52 HydrophobicContact CZ-CZ3 4.27Å; F4-L55 HydrophobicContact CE1-CD1 4.5Å; F4-A69 WeakPolarHBondContact O-CA 3.23Å; F4-A70 HydrophobicContact CD1-CB 4.12Å; F4-A70 HydrophobicContact CD2-CB 3.93Å; F4-A70 HydrophobicContact CE1-CB 3.6Å; F4-A70 HydrophobicContact CE2-CB 3.37Å; F4-A70 HydrophobicContact CG-CB 4.28Å; F4-A70 HydrophobicContact CZ-CB 3.19Å; F4-A70 PolarHBondContact O-N 2.7Å
5L97.7Very high96.1Very high3 Ų344.5 Ų44.52%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-121.5127.8170.517968.2000109.4M2 L7 Q17 K18 A69 I84 Y87 L114 M118M2-L5 HydrophobicContact SD-CB 4.03Å; L5-L7 HydrophobicContact CD1-CD1 4.34Å; L5-L7 HydrophobicContact CD2-CD1 4.17Å; L5-L7 HydrophobicContact CG-CD1 3.93Å; L5-Q17 CarbonylContact O-C 3.56Å; L5-Q17 WeakPolarHBondContact O-CA 3.46Å; L5-K18 PolarHBondContact N-O 3.12Å; L5-K18 PolarHBondContact O-N 3.19Å; L5-A69 HydrophobicContact CD1-CB 4.07Å; L5-I84 HydrophobicContact CD1-CG1 4.49Å; L5-Y87 HydrophobicContact CD2-CD1 4.28Å; L5-Y87 HydrophobicContact CD2-CE1 4.32Å; L5-L114 HydrophobicContact CD2-CD1 3.68Å; L5-L114 HydrophobicContact CD2-CD2 4.09Å; L5-M118 HydrophobicContact CD2-CE 4.01Å
6I97.7Very high96.2Very high1 Ų141.8 Ų41.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-127.6133.2-177.9-57.5157.2000109.1F4 F8 L14 L16 W19 L32 L35 C68F4-I6 HydrophobicContact CD2-CD1 3.39Å; F4-I6 HydrophobicContact CD2-CG1 3.85Å; F4-I6 HydrophobicContact CE2-CD1 3.51Å; F4-I6 HydrophobicContact CE2-CG1 4.43Å; F4-I6 HydrophobicContact CG-CD1 4.39Å; I6-F8 HydrophobicContact CG2-CD1 3.93Å; I6-L14 HydrophobicContact CG2-CD1 3.52Å; I6-L16 WeakPolarHBondContact CA-O 3.14Å; I6-W19 HydrophobicContact CD1-CH2 4.38Å; I6-L32 HydrophobicContact CB-CD2 4.42Å; I6-L32 HydrophobicContact CD1-CD2 3.77Å; I6-L32 HydrophobicContact CG1-CD2 3.94Å; I6-L32 HydrophobicContact CG2-CD2 3.53Å; I6-L35 HydrophobicContact CD1-CD1 4.23Å; I6-C68 PolarHBondContact N-O 2.78Å; I6-C68 PolarHBondContact O-N 3.47Å
7L97.6Very high96.2Very high0 Ų042.7 Ų42.70%020%0.199CC..EExtended strand (participates in β ladder)trans-113.7127.4170.8-75.759.2000109.5L5 R15 L16 Y66 F67 Y87 I103L5-L7 HydrophobicContact CD1-CD1 4.34Å; L5-L7 HydrophobicContact CD2-CD1 4.17Å; L5-L7 HydrophobicContact CG-CD1 3.93Å; L7-R15 HydrophobicContact CB-CB 4.18Å; L7-R15 PolarHBondContact O-N 2.97Å; L7-L16 HydrophobicContact CB-CB 4.01Å; L7-L16 HydrophobicContact CD1-CB 4.24Å; L7-L16 HydrophobicContact CD1-CD2 4.13Å; L7-L16 HydrophobicContact CD2-CB 4.07Å; L7-L16 HydrophobicContact CG-CB 4.33Å; L7-L16 PolarHBondContact N-O 3.49Å; L7-L16 PolarHBondContact O-N 3.47Å; L7-Y66 VanDerWaalsContact CA-O 3.29Å; L7-Y66 WeakPolarHBondContact CA-O 3.42Å; L7-F67 HydrophobicContact CD1-CD1 3.67Å; L7-F67 HydrophobicContact CD1-CE1 3.97Å; L7-F67 HydrophobicContact CD1-CG 4.38Å; L7-F67 HydrophobicContact CD2-CD1 3.98Å; L7-F67 HydrophobicContact CD2-CE1 3.42Å; L7-F67 VanDerWaalsContact CD2-CE1 3.42Å; L7-F67 HydrophobicContact CD2-CZ 3.71Å; L7-F67 HydrophobicContact CG-CD1 3.62Å; L7-F67 HydrophobicContact CG-CE1 3.62Å; L7-F67 HydrophobicContact CG-CG 4.1Å; L7-F67 HydrophobicContact CG-CZ 4.07Å; L7-Y87 HydrophobicContact CD2-CE1 4.43Å; L7-I103 HydrophobicContact CD2-CD1 4.37Å
8F97.6Very high96.3Very high1 Ų142.9 Ų42.90%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-140.2150.6173.455.8-91.1000111.7I6 K13 T36 V39 L40 Y66 C68I6-F8 HydrophobicContact CG2-CD1 3.93Å; F8-K13 CarbonylContact C-O 3.54Å; F8-K13 VanDerWaalsContact CA-O 3.26Å; F8-K13 WeakPolarHBondContact CA-O 3.22Å; F8-T36 HydrophobicContact CD2-CG2 3.87Å; F8-T36 HydrophobicContact CE2-CG2 4.08Å; F8-T36 HydrophobicContact CG-CG2 4.26Å; F8-V39 HydrophobicContact CE2-CB 4.4Å; F8-V39 HydrophobicContact CE2-CG1 4.2Å; F8-V39 HydrophobicContact CZ-CB 3.8Å; F8-V39 HydrophobicContact CZ-CG1 3.75Å; F8-V39 HydrophobicContact CZ-CG2 4.33Å; F8-L40 HydrophobicContact CD2-CD2 4.4Å; F8-L40 HydrophobicContact CE2-CD2 3.99Å; F8-L40 HydrophobicContact CE2-CG 4.01Å; F8-Y66 HydrophobicContact CD2-CD2 4.41Å; F8-Y66 HydrophobicContact CD2-CG 4.33Å; F8-Y66 VanDerWaalsContact CE2-CB 3.44Å; F8-Y66 HydrophobicContact CE2-CD1 4.39Å; F8-Y66 HydrophobicContact CE2-CD2 4.13Å; F8-Y66 AromaticContact CE2-CG 3.76Å; F8-Y66 HydrophobicContact CE2-CG 3.76Å; F8-Y66 HydrophobicContact CZ-CG 4.24Å; F8-Y66 PolarHBondContact N-O 3.28Å; F8-Y66 PolarHBondContact O-N 3.5Å; F8-C68 HydrophobicContact CE1-CB 3.93Å
9S96.6Very high96.4Very high3 Ų342.7 Ų42.72%0.02120%0.197CC..EExtended strand (participates in β ladder)trans-73.6167176.9670000112.2Q11 G12 K13 S64 E100S9-Q11 PolarHBondContact O-N 3.09Å; S9-Q11 VanDerWaalsContact O-N 3.08Å; S9-Q11 PolarHBondContact OG-N 3.48Å; S9-G12 WeakPolarHBondContact O-CA 3.32Å; S9-G12 PolarHBondContact O-N 3.25Å; S9-K13 PolarHBondContact N-O 2.84Å; S9-K13 WeakPolarHBondContact OG-CB 3.28Å; S9-K13 PolarHBondContact OG-N 2.96Å; S9-K13 VanDerWaalsContact OG-N 3.1Å; S9-K13 PolarHBondContact OG-O 3.08Å; S9-S64 CarbonylContact C-O 3.5Å; S9-S64 WeakPolarHBondContact CA-O 3.33Å; S9-E100 WeakPolarHBondContact CB-OE1 3.37Å
10R94.6Very high96.4Very high170 Ų17042.6 Ų42.664%0.64220%0.195SC*.THydrogen-bonded Turntrans-54.6-24.6168.9-177.7176.1167.5163.7-0.9113.7G12 S64 Y66R10-G12 VanDerWaalsContact C-N 3.26Å; R10-S64 PolarHBondContact N-O 3.39Å; R10-Y66 HydrophobicContact CB-CE2 4.37Å
11Q94.5Very high96.3Very high145 Ų14543.4 Ų43.468%0.67820%0.2SC*.THydrogen-bonded Turntrans-83.41.1175.8-63.2-179.4-4.500113.1S9 K13S9-Q11 PolarHBondContact O-N 3.09Å; S9-Q11 VanDerWaalsContact O-N 3.08Å; S9-Q11 PolarHBondContact OG-N 3.48Å; Q11-K13 VanDerWaalsContact C-N 3.26Å; Q11-K13 HydrophobicContact CB-CG 4.33Å; Q11-K13 PolarHBondContact O-N 3.01Å
12G94.6Very high96.5Very high30 Ų3046.7 Ų46.731%0.30923%0.228SC..  trans769.8-175.300000114.3S9 R10S9-G12 WeakPolarHBondContact O-CA 3.32Å; S9-G12 PolarHBondContact O-N 3.25Å; R10-G12 VanDerWaalsContact C-N 3.26Å
13K96.3Very high96.5Very high110 Ų11048.5 Ų48.548%0.47824%0.235SC..  trans-75.9125.2174-60.3-178.3178.6174.30109.9F8 S9 Q11F8-K13 CarbonylContact C-O 3.54Å; F8-K13 VanDerWaalsContact CA-O 3.26Å; F8-K13 WeakPolarHBondContact CA-O 3.22Å; S9-K13 PolarHBondContact N-O 2.84Å; S9-K13 WeakPolarHBondContact OG-CB 3.28Å; S9-K13 PolarHBondContact OG-N 2.96Å; S9-K13 VanDerWaalsContact OG-N 3.1Å; S9-K13 PolarHBondContact OG-O 3.08Å; Q11-K13 VanDerWaalsContact C-N 3.26Å; Q11-K13 HydrophobicContact CB-CG 4.33Å; Q11-K13 PolarHBondContact O-N 3.01Å
14L97.2Very high96.5Very high68 Ų6850.4 Ų50.436%0.35625%0.25SC..EExtended strand (participates in β ladder)trans-67.4138.1176.1-172.465.7000111I6 L16 Q17 L32I6-L14 HydrophobicContact CG2-CD1 3.52Å; L14-L16 WeakPolarHBondContact CD1-O 3.38Å; L14-Q17 HydrophobicContact CD1-CB 4.29Å; L14-Q17 HydrophobicContact CD2-CB 4.31Å; L14-Q17 HydrophobicContact CD2-CG 3.83Å; L14-L32 HydrophobicContact CD1-CD2 3.76Å; L14-L32 HydrophobicContact CD2-CD1 3.96Å; L14-L32 HydrophobicContact CD2-CD2 4.39Å
15R96.8Very high96.5Very high55 Ų5555.5 Ų55.521%0.20827%0.274CS..EExtended strand (participates in β ladder)trans-116.9-40.8177.4-56.6-55.1-179.2-166.87.3112.2L7 L65 E100 I103L7-R15 HydrophobicContact CB-CB 4.18Å; L7-R15 PolarHBondContact O-N 2.97Å; R15-L65 HydrophobicContact CG-CD2 3.77Å; R15-E100 IonicContact CZ-OE1 3.81Å; R15-E100 IonicContact NE-OE1 2.6Å; R15-E100 PolarHBondContact NE-OE1 2.94Å; R15-E100 IonicContact NH2-OE1 3.63Å; R15-E100 PolarHBondContact NH2-OE1 2.82Å; R15-I103 HydrophobicContact CB-CG2 4.21Å
16L97.2Very high96.4Very high1 Ų164 Ų641%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-147.4143.7178.1-172.3148.7000109.3I6 L7 L14 K18 A110 Y111 L114I6-L16 WeakPolarHBondContact CA-O 3.14Å; L7-L16 HydrophobicContact CB-CB 4.01Å; L7-L16 HydrophobicContact CD1-CB 4.24Å; L7-L16 HydrophobicContact CD1-CD2 4.13Å; L7-L16 HydrophobicContact CD2-CB 4.07Å; L7-L16 HydrophobicContact CG-CB 4.33Å; L7-L16 PolarHBondContact N-O 3.49Å; L7-L16 PolarHBondContact O-N 3.47Å; L14-L16 WeakPolarHBondContact CD1-O 3.38Å; L16-K18 HydrophobicContact CD2-CB 4.29Å; L16-A110 HydrophobicContact CD1-CB 4.09Å; L16-Y111 HydrophobicContact CD1-CD1 4.23Å; L16-Y111 HydrophobicContact CD1-CD2 4.26Å; L16-Y111 HydrophobicContact CD1-CE1 4.22Å; L16-Y111 HydrophobicContact CD1-CE2 4.23Å; L16-Y111 HydrophobicContact CD1-CG 4.25Å; L16-Y111 HydrophobicContact CD2-CE1 4.05Å; L16-Y111 HydrophobicContact CG-CD1 4.31Å; L16-Y111 HydrophobicContact CG-CE1 3.79Å; L16-Y111 HydrophobicContact CG-CE2 4.01Å; L16-L114 HydrophobicContact CD1-CD2 4.4Å; L16-L114 HydrophobicContact CD2-CD2 3.75Å
17Q97.2Very high96.4Very high58 Ų5868.6 Ų68.627%0.27133%0.332SS..EExtended strand (participates in β ladder)trans-143.4107.417149.1165.1-0.300110.5L5 L14 Y111L5-Q17 CarbonylContact O-C 3.56Å; L5-Q17 WeakPolarHBondContact O-CA 3.46Å; L14-Q17 HydrophobicContact CD1-CB 4.29Å; L14-Q17 HydrophobicContact CD2-CB 4.31Å; L14-Q17 HydrophobicContact CD2-CG 3.83Å; Q17-Y111 PolarHBondContact N-OH 2.9Å; Q17-Y111 PolarHBondContact O-OH 3.18Å
18K97.4Very high96.4Very high47 Ų4770.4 Ų70.420%0.20434%0.34CS..EExtended strand (participates in β ladder)trans-102.6122.8172.1-168.274175.8-164.90108.8F4 L5 L16 Y20 Y111 L114 D115F4-K18 CarbonylContact C-O 3.59Å; F4-K18 WeakPolarHBondContact CA-O 3.49Å; F4-K18 WeakPolarHBondContact CB-O 3.47Å; L5-K18 PolarHBondContact N-O 3.12Å; L5-K18 PolarHBondContact O-N 3.19Å; L16-K18 HydrophobicContact CD2-CB 4.29Å; K18-Y20 HydrophobicContact CB-CE2 4.26Å; K18-Y20 HydrophobicContact CG-CD1 4.44Å; K18-Y20 HydrophobicContact CG-CD2 4.46Å; K18-Y20 HydrophobicContact CG-CE1 3.85Å; K18-Y20 HydrophobicContact CG-CE2 3.79Å; K18-Y20 VanDerWaalsContact CG-CZ 3.5Å; K18-Y111 HydrophobicContact CD-CD1 4.26Å; K18-Y111 HydrophobicContact CD-CE1 4.26Å; K18-L114 HydrophobicContact CB-CD2 3.67Å; K18-L114 HydrophobicContact CD-CD2 4.33Å; K18-L114 HydrophobicContact CG-CD2 3.95Å; K18-D115 WeakPolarHBondContact CE-OD1 3.45Å; K18-D115 IonicContact NZ-OD1 2.8Å; K18-D115 PolarHBondContact NZ-OD1 2.83Å; K18-D115 IonicContact NZ-OD2 2.7Å; K18-D115 PolarHBondContact NZ-OD2 3.25Å
19W97.7Very high96.3Very high38 Ų3876.5 Ų76.514%0.14437%0.366CS..EExtended strand (participates in β ladder)trans-109.8115.8177.3-5990.2000108.1F4 I6 Y23 K28 I31 L32F4-W19 HydrophobicContact CB-CD2 4.11Å; F4-W19 HydrophobicContact CB-CE3 3.57Å; F4-W19 HydrophobicContact CB-CZ3 3.95Å; F4-W19 AromaticContact CD1-CE3 3.72Å; F4-W19 HydrophobicContact CD1-CE3 3.72Å; F4-W19 HydrophobicContact CD1-CH2 4.44Å; F4-W19 AromaticContact CD1-CZ3 3.43Å; F4-W19 HydrophobicContact CD1-CZ3 3.43Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.43Å; F4-W19 HydrophobicContact CD2-CZ3 4.32Å; F4-W19 AromaticContact CE1-CZ3 3.94Å; F4-W19 HydrophobicContact CE1-CZ3 3.94Å; F4-W19 AromaticContact CG-CE3 3.79Å; F4-W19 HydrophobicContact CG-CE3 3.79Å; F4-W19 HydrophobicContact CG-CH2 4.4Å; F4-W19 AromaticContact CG-CZ3 3.64Å; F4-W19 HydrophobicContact CG-CZ3 3.64Å; I6-W19 HydrophobicContact CD1-CH2 4.38Å; W19-Y23 HydrophobicContact CD2-CD2 4.35Å; W19-Y23 AromaticContact CE3-CD2 3.38Å; W19-Y23 HydrophobicContact CE3-CD2 3.38Å; W19-Y23 AromaticContact CE3-CE2 3.76Å; W19-Y23 HydrophobicContact CE3-CE2 3.76Å; W19-Y23 HydrophobicContact CE3-CG 4.26Å; W19-Y23 AromaticContact CZ3-CD2 3.79Å; W19-Y23 HydrophobicContact CZ3-CD2 3.79Å; W19-Y23 HydrophobicContact CZ3-CE2 4.03Å; W19-Y23 HydrophobicContact CZ3-CG 4.39Å; W19-K28 HydrophobicContact CD2-CD 4.08Å; W19-K28 HydrophobicContact CD2-CG 3.9Å; W19-K28 HydrophobicContact CE3-CG 4.24Å; W19-K28 HydrophobicContact CG-CD 4.19Å; W19-K28 HydrophobicContact CG-CG 4.5Å; W19-K28 HydrophobicContact CH2-CB 4.06Å; W19-K28 HydrophobicContact CH2-CG 4.07Å; W19-K28 HydrophobicContact CZ2-CB 3.6Å; W19-K28 HydrophobicContact CZ2-CD 4.29Å; W19-K28 HydrophobicContact CZ2-CG 3.69Å; W19-K28 HydrophobicContact CZ3-CG 4.32Å; W19-I31 HydrophobicContact CH2-CB 3.94Å; W19-I31 HydrophobicContact CH2-CD1 4.22Å; W19-I31 HydrophobicContact CH2-CG2 3.85Å; W19-I31 HydrophobicContact CZ3-CB 4.46Å; W19-I31 HydrophobicContact CZ3-CD1 3.92Å; W19-I31 HydrophobicContact CZ3-CG2 4.2Å; W19-L32 HydrophobicContact CZ2-CD2 4.32Å; W19-L32 HydrophobicContact CZ2-CG 4.09Å
20Y96.7Very high96.3Very high41 Ų4182.4 Ų82.416%0.16139%0.392CS..SBendtrans-90.6-21.4177.7-61.5-77000111.8M2 Q3 K18M2-Y20 HydrophobicContact CE-CD2 3.86Å; M2-Y20 HydrophobicContact CE-CE2 3.15Å; M2-Y20 HydrophobicContact CG-CD2 4.36Å; M2-Y20 HydrophobicContact CG-CE2 4.43Å; M2-Y20 WeakPolarHBondContact O-CB 3.28Å; M2-Y20 HydrophobicContact SD-CE2 4.16Å; Q3-Y20 PolarHBondContact O-N 3.1Å; K18-Y20 HydrophobicContact CB-CE2 4.26Å; K18-Y20 HydrophobicContact CG-CD1 4.44Å; K18-Y20 HydrophobicContact CG-CD2 4.46Å; K18-Y20 HydrophobicContact CG-CE1 3.85Å; K18-Y20 HydrophobicContact CG-CE2 3.79Å; K18-Y20 VanDerWaalsContact CG-CZ 3.5Å
21I95.1Very high96.4Very high59 Ų5974.7 Ų74.730%0.30336%0.363SS..SBendtrans-105.3145.3167.5-62.4-147.5000111M1 Q3 Y23M1-I21 HydrophobicContact CE-CD1 3.5Å; M1-I21 HydrophobicContact CE-CG1 3.77Å; Q3-I21 VanDerWaalsContact CD-CD1 3.42Å; Q3-I21 VanDerWaalsContact NE2-CD1 3.32Å; Q3-I21 PolarHBondContact O-N 2.59Å; I21-Y23 HydrophobicContact CB-CE2 3.94Å; I21-Y23 HydrophobicContact CG2-CE2 4.13Å; I21-Y23 VanDerWaalsContact O-CD2 3.24Å; I21-Y23 WeakPolarHBondContact O-CD2 3.4Å; I21-Y23 PolarHBondContact O-N 2.8Å
22S95.1Very high96.6Very high122 Ų12268.9 Ų68.985%0.85334%0.337SS*.  trans-66.2112.2172.7-61.20000111.7
23Y94.8Very high96.7Very high51 Ų5175.8 Ų75.820%0.235%0.353CS..  trans-117.5149.9167.8-67.1-82.1000109.9Q3 F4 W19 I21 E27 K28 I31Q3-Y23 PolarHBondContact OE1-OH 2.87Å; F4-Y23 HydrophobicContact CD1-CE2 4.02Å; F4-Y23 HydrophobicContact CE1-CE2 4.5Å; W19-Y23 HydrophobicContact CD2-CD2 4.35Å; W19-Y23 AromaticContact CE3-CD2 3.38Å; W19-Y23 HydrophobicContact CE3-CD2 3.38Å; W19-Y23 AromaticContact CE3-CE2 3.76Å; W19-Y23 HydrophobicContact CE3-CE2 3.76Å; W19-Y23 HydrophobicContact CE3-CG 4.26Å; W19-Y23 AromaticContact CZ3-CD2 3.79Å; W19-Y23 HydrophobicContact CZ3-CD2 3.79Å; W19-Y23 HydrophobicContact CZ3-CE2 4.03Å; W19-Y23 HydrophobicContact CZ3-CG 4.39Å; I21-Y23 HydrophobicContact CB-CE2 3.94Å; I21-Y23 HydrophobicContact CG2-CE2 4.13Å; I21-Y23 VanDerWaalsContact O-CD2 3.24Å; I21-Y23 WeakPolarHBondContact O-CD2 3.4Å; I21-Y23 PolarHBondContact O-N 2.8Å; Y23-E27 HydrophobicContact CD1-CB 4.43Å; Y23-K28 VanDerWaalsContact O-CE 3.28Å; Y23-K28 WeakPolarHBondContact O-CE 3.4Å; Y23-I31 HydrophobicContact CD1-CD1 3.97Å; Y23-I31 HydrophobicContact CE1-CD1 3.95Å; Y23-I31 HydrophobicContact CG-CD1 4.37Å
24S97.2Very high96.7Very high56 Ų5673.3 Ų73.339%0.39235%0.345SS..  trans-66.6152.3169.268.30000111K26 E27 K28S24-K26 PolarHBondContact O-N 2.86Å; S24-K26 VanDerWaalsContact O-N 3.12Å; S24-E27 VanDerWaalsContact CB-OE2 3.28Å; S24-E27 WeakPolarHBondContact CB-OE2 3.39Å; S24-E27 PolarHBondContact N-OE2 2.73Å; S24-E27 WeakPolarHBondContact O-CA 3.2Å; S24-E27 WeakPolarHBondContact O-CB 3.26Å; S24-E27 PolarHBondContact O-N 3.16Å; S24-E27 WeakPolarHBondContact OG-CB 3.5Å; S24-E27 VanDerWaalsContact OG-CD 3.24Å; S24-E27 VanDerWaalsContact OG-CG 3.22Å; S24-E27 WeakPolarHBondContact OG-CG 3.26Å; S24-E27 PolarHBondContact OG-N 3.35Å; S24-E27 PolarHBondContact OG-OE2 3.46Å; S24-K28 WeakPolarHBondContact O-CG 3.4Å; S24-K28 PolarHBondContact O-N 3.29Å
25E96.2Very high96.7Very high107 Ų10770.1 Ų70.150%0.533%0.329SS..Hα-helixtrans-57.3-31177-70.7-56.6125.300112.9K28 K29E25-K28 WeakPolarHBondContact OE1-CD 3.49Å; E25-K28 IonicContact OE1-NZ 2.69Å; E25-K28 PolarHBondContact OE1-NZ 3.36Å; E25-K29 WeakPolarHBondContact O-CB 3.21Å; E25-K29 VanDerWaalsContact O-CG 3.32Å; E25-K29 WeakPolarHBondContact O-CG 3.35Å; E25-K29 PolarHBondContact O-N 2.82Å; E25-K29 VanDerWaalsContact O-N 3.12Å
26K97.1Very high96.7Very high181 Ų18168.5 Ų68.579%0.78733%0.325SS*.Hα-helixtrans-67.3-41.9174.6-174179.2179.3-178.90111.5S24 K30S24-K26 PolarHBondContact O-N 2.86Å; S24-K26 VanDerWaalsContact O-N 3.12Å; K26-K30 PolarHBondContact O-N 3.08Å; K26-K30 VanDerWaalsContact O-N 3.15Å
27E96.4Very high96.6Very high97 Ų9773 Ų7345%0.45335%0.352SS..Hα-helixtrans-67.2-50175.9-72.7163.8135.500110.7Y23 S24 K29 K30 I31Y23-E27 HydrophobicContact CD1-CB 4.43Å; S24-E27 VanDerWaalsContact CB-OE2 3.28Å; S24-E27 WeakPolarHBondContact CB-OE2 3.39Å; S24-E27 PolarHBondContact N-OE2 2.73Å; S24-E27 WeakPolarHBondContact O-CA 3.2Å; S24-E27 WeakPolarHBondContact O-CB 3.26Å; S24-E27 PolarHBondContact O-N 3.16Å; S24-E27 WeakPolarHBondContact OG-CB 3.5Å; S24-E27 VanDerWaalsContact OG-CD 3.24Å; S24-E27 VanDerWaalsContact OG-CG 3.22Å; S24-E27 WeakPolarHBondContact OG-CG 3.26Å; S24-E27 PolarHBondContact OG-N 3.35Å; S24-E27 PolarHBondContact OG-OE2 3.46Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 2.85Å; E27-K30 CarbonylContact O-C 3.49Å; E27-K30 WeakPolarHBondContact O-CA 3.31Å; E27-K30 WeakPolarHBondContact O-CB 3.47Å; E27-K30 PolarHBondContact O-N 3.34Å; E27-I31 VanDerWaalsContact O-CG1 3.29Å; E27-I31 WeakPolarHBondContact O-CG1 3.38Å; E27-I31 PolarHBondContact O-N 2.85Å
28K97.4Very high96.6Very high38 Ų3872.3 Ų72.317%0.16535%0.35CS..Hα-helixtrans-50.3-49.9176.8-66.4179.7-176.2166.90111.6W19 Y23 S24 E25 K30 I31 L32W19-K28 HydrophobicContact CD2-CD 4.08Å; W19-K28 HydrophobicContact CD2-CG 3.9Å; W19-K28 HydrophobicContact CE3-CG 4.24Å; W19-K28 HydrophobicContact CG-CD 4.19Å; W19-K28 HydrophobicContact CG-CG 4.5Å; W19-K28 HydrophobicContact CH2-CB 4.06Å; W19-K28 HydrophobicContact CH2-CG 4.07Å; W19-K28 HydrophobicContact CZ2-CB 3.6Å; W19-K28 HydrophobicContact CZ2-CD 4.29Å; W19-K28 HydrophobicContact CZ2-CG 3.69Å; W19-K28 HydrophobicContact CZ3-CG 4.32Å; Y23-K28 VanDerWaalsContact O-CE 3.28Å; Y23-K28 WeakPolarHBondContact O-CE 3.4Å; S24-K28 WeakPolarHBondContact O-CG 3.4Å; S24-K28 PolarHBondContact O-N 3.29Å; E25-K28 WeakPolarHBondContact OE1-CD 3.49Å; E25-K28 IonicContact OE1-NZ 2.69Å; E25-K28 PolarHBondContact OE1-NZ 3.36Å; K28-K30 VanDerWaalsContact C-N 3.29Å; K28-K30 PolarHBondContact O-N 3.33Å; K28-I31 PolarHBondContact O-N 3.1Å; K28-L32 WeakPolarHBondContact O-CB 3.48Å; K28-L32 VanDerWaalsContact O-CG 3.27Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 3.44Å
29K96.6Very high96.6Very high130 Ų13070.1 Ų70.157%0.56534%0.34SS*.Hα-helixtrans-62.6-30.7176.1-72.7176.8-177.3178.40113.9E25 E27 R33E25-K29 WeakPolarHBondContact O-CB 3.21Å; E25-K29 VanDerWaalsContact O-CG 3.32Å; E25-K29 WeakPolarHBondContact O-CG 3.35Å; E25-K29 PolarHBondContact O-N 2.82Å; E25-K29 VanDerWaalsContact O-N 3.12Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 2.85Å; K29-R33 WeakPolarHBondContact O-CG 3.27Å; K29-R33 PolarHBondContact O-N 2.9Å; K29-R33 PolarHBondContact O-NE 2.88Å; K29-R33 VanDerWaalsContact O-NE 3.15Å
30K97Very high96.5Very high127 Ų12771 Ų7155%0.55235%0.348SS*.Hα-helixtrans-72.6-47.9174.7-174.8179.8177.2-178.40110.4K26 E27 K28 R33 D34K26-K30 PolarHBondContact O-N 3.08Å; K26-K30 VanDerWaalsContact O-N 3.15Å; E27-K30 CarbonylContact O-C 3.49Å; E27-K30 WeakPolarHBondContact O-CA 3.31Å; E27-K30 WeakPolarHBondContact O-CB 3.47Å; E27-K30 PolarHBondContact O-N 3.34Å; K28-K30 VanDerWaalsContact C-N 3.29Å; K28-K30 PolarHBondContact O-N 3.33Å; K30-R33 PolarHBondContact O-N 3.16Å; K30-D34 VanDerWaalsContact O-CB 3.3Å; K30-D34 WeakPolarHBondContact O-CB 3.35Å; K30-D34 PolarHBondContact O-N 3.2Å
31I96.9Very high96.5Very high7 Ų773.4 Ų73.44%0.03637%0.37CS..Hα-helixtrans-59.5-50.3179.1-61.3-179.1000110.5F4 W19 Y23 E27 K28 R33 D34 L35 W52F4-I31 HydrophobicContact CE1-CD1 4.45Å; F4-I31 HydrophobicContact CE1-CG2 4.07Å; F4-I31 HydrophobicContact CE2-CG2 4.13Å; F4-I31 HydrophobicContact CZ-CG2 3.61Å; W19-I31 HydrophobicContact CH2-CB 3.94Å; W19-I31 HydrophobicContact CH2-CD1 4.22Å; W19-I31 HydrophobicContact CH2-CG2 3.85Å; W19-I31 HydrophobicContact CZ3-CB 4.46Å; W19-I31 HydrophobicContact CZ3-CD1 3.92Å; W19-I31 HydrophobicContact CZ3-CG2 4.2Å; Y23-I31 HydrophobicContact CD1-CD1 3.97Å; Y23-I31 HydrophobicContact CE1-CD1 3.95Å; Y23-I31 HydrophobicContact CG-CD1 4.37Å; E27-I31 VanDerWaalsContact O-CG1 3.29Å; E27-I31 WeakPolarHBondContact O-CG1 3.38Å; E27-I31 PolarHBondContact O-N 2.85Å; K28-I31 PolarHBondContact O-N 3.1Å; I31-R33 PolarHBondContact O-N 3.42Å; I31-D34 PolarHBondContact O-N 3.05Å; I31-L35 HydrophobicContact CG2-CD1 3.71Å; I31-L35 HydrophobicContact CG2-CG 4.19Å; I31-L35 WeakPolarHBondContact O-CB 3.39Å; I31-L35 WeakPolarHBondContact O-CG 3.34Å; I31-L35 PolarHBondContact O-N 3.46Å; I31-W52 HydrophobicContact CB-CH2 4.22Å; I31-W52 HydrophobicContact CD1-CH2 4.17Å; I31-W52 HydrophobicContact CG1-CH2 3.78Å; I31-W52 HydrophobicContact CG1-CZ2 4.36Å; I31-W52 HydrophobicContact CG2-CH2 3.78Å; I31-W52 HydrophobicContact CG2-CZ2 4.31Å; I31-W52 HydrophobicContact CG2-CZ3 4.44Å
32L97.3Very high96.5Very high24 Ų2473.6 Ų73.613%0.12637%0.367CS..Hα-helixtrans-55.1-49.3178.5-74.8172.2000112.3I6 L14 W19 K28 T36I6-L32 HydrophobicContact CB-CD2 4.42Å; I6-L32 HydrophobicContact CD1-CD2 3.77Å; I6-L32 HydrophobicContact CG1-CD2 3.94Å; I6-L32 HydrophobicContact CG2-CD2 3.53Å; L14-L32 HydrophobicContact CD1-CD2 3.76Å; L14-L32 HydrophobicContact CD2-CD1 3.96Å; L14-L32 HydrophobicContact CD2-CD2 4.39Å; W19-L32 HydrophobicContact CZ2-CD2 4.32Å; W19-L32 HydrophobicContact CZ2-CG 4.09Å; K28-L32 WeakPolarHBondContact O-CB 3.48Å; K28-L32 VanDerWaalsContact O-CG 3.27Å; K28-L32 WeakPolarHBondContact O-CG 3.4Å; K28-L32 PolarHBondContact O-N 3.44Å; L32-T36 WeakPolarHBondContact O-CB 3.43Å; L32-T36 PolarHBondContact O-N 3.43Å; L32-T36 PolarHBondContact O-OG1 3.16Å
33R96.5Very high96.5Very high175 Ų17574.9 Ų74.966%0.6636%0.358SS*.Hα-helixtrans-64.2-44-179.9-75.8-173.8-65.7164.30.3111.9K29 K30 I31 T37K29-R33 WeakPolarHBondContact O-CG 3.27Å; K29-R33 PolarHBondContact O-N 2.9Å; K29-R33 PolarHBondContact O-NE 2.88Å; K29-R33 VanDerWaalsContact O-NE 3.15Å; K30-R33 PolarHBondContact O-N 3.16Å; I31-R33 PolarHBondContact O-N 3.42Å; R33-T37 WeakPolarHBondContact O-CB 3.35Å; R33-T37 PolarHBondContact O-N 3.03Å; R33-T37 PolarHBondContact O-OG1 3.49Å
34D96.4Very high96.3Very high57 Ų5778.5 Ų78.531%0.30539%0.388SS..Hα-helixtrans-64-55.5-178.6-167.520.2000111K30 I31 T36 T37 I38 W52K30-D34 VanDerWaalsContact O-CB 3.3Å; K30-D34 WeakPolarHBondContact O-CB 3.35Å; K30-D34 PolarHBondContact O-N 3.2Å; I31-D34 PolarHBondContact O-N 3.05Å; D34-T36 PolarHBondContact O-N 3.01Å; D34-T37 WeakPolarHBondContact O-CB 3.38Å; D34-T37 PolarHBondContact O-N 3.46Å; D34-T37 VanDerWaalsContact O-N 3.15Å; D34-I38 WeakPolarHBondContact O-CG1 3.33Å; D34-I38 PolarHBondContact O-N 3.31Å; D34-I38 WeakPolarHBondContact OD1-CD1 3.4Å; D34-W52 PolarHBondContact OD2-NE1 3.27Å
35L97Very high96Very high2 Ų285.9 Ų85.91%0.0141%0.413CS..Hα-helixtrans-63.7-41.2-179.4-67-176.7000112.9F4 I6 I31 T37 I38 V39 W52 V57F4-L35 HydrophobicContact CE2-CD1 3.46Å; F4-L35 VanDerWaalsContact CE2-CD1 3.46Å; F4-L35 HydrophobicContact CZ-CD1 3.65Å; I6-L35 HydrophobicContact CD1-CD1 4.23Å; I31-L35 HydrophobicContact CG2-CD1 3.71Å; I31-L35 HydrophobicContact CG2-CG 4.19Å; I31-L35 WeakPolarHBondContact O-CB 3.39Å; I31-L35 WeakPolarHBondContact O-CG 3.34Å; I31-L35 PolarHBondContact O-N 3.46Å; L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 PolarHBondContact O-N 2.89Å; L35-I38 PolarHBondContact O-N 3.32Å; L35-V39 WeakPolarHBondContact O-CB 3.39Å; L35-V39 VanDerWaalsContact O-CG2 3.3Å; L35-V39 WeakPolarHBondContact O-CG2 3.29Å; L35-V39 PolarHBondContact O-N 2.73Å; L35-W52 HydrophobicContact CD2-CB 4.41Å; L35-W52 HydrophobicContact CD2-CD2 3.68Å; L35-W52 HydrophobicContact CD2-CE3 4.26Å; L35-W52 HydrophobicContact CD2-CG 3.73Å; L35-W52 HydrophobicContact CD2-CZ2 4.37Å; L35-W52 HydrophobicContact CG-CZ2 4.46Å; L35-V57 HydrophobicContact CD1-CG2 4.41Å; L35-V57 HydrophobicContact CD2-CG1 4.43Å; L35-V57 HydrophobicContact CD2-CG2 3.85Å
36T97Very high96Very high20 Ų2085 Ų8512%0.12341%0.409CS..Hα-helixtrans-60.7-42.6176-58.50000110.6F8 L32 D34 L40F8-T36 HydrophobicContact CD2-CG2 3.87Å; F8-T36 HydrophobicContact CE2-CG2 4.08Å; F8-T36 HydrophobicContact CG-CG2 4.26Å; L32-T36 WeakPolarHBondContact O-CB 3.43Å; L32-T36 PolarHBondContact O-N 3.43Å; L32-T36 PolarHBondContact O-OG1 3.16Å; D34-T36 PolarHBondContact O-N 3.01Å; T36-L40 HydrophobicContact CG2-CD1 3.63Å; T36-L40 HydrophobicContact CG2-CG 4.21Å; T36-L40 VanDerWaalsContact O-CB 3.26Å; T36-L40 WeakPolarHBondContact O-CB 3.45Å; T36-L40 WeakPolarHBondContact O-CG 3.32Å; T36-L40 PolarHBondContact O-N 3.45Å
37T96.7Very high95.9Very high95 Ų9579.7 Ų79.758%0.58340%0.395SS*.Hα-helixtrans-65-48178.3-57.40000111.3R33 D34 L35 S41R33-T37 WeakPolarHBondContact O-CB 3.35Å; R33-T37 PolarHBondContact O-N 3.03Å; R33-T37 PolarHBondContact O-OG1 3.49Å; D34-T37 WeakPolarHBondContact O-CB 3.38Å; D34-T37 PolarHBondContact O-N 3.46Å; D34-T37 VanDerWaalsContact O-N 3.15Å; L35-T37 VanDerWaalsContact C-N 3.29Å; L35-T37 PolarHBondContact O-N 2.89Å; T37-S41 WeakPolarHBondContact O-CB 3.36Å; T37-S41 PolarHBondContact O-N 2.89Å; T37-S41 VanDerWaalsContact O-N 3.1Å; T37-S41 PolarHBondContact O-OG 3.37Å
38I96.6Very high95.9Very high44 Ų4476.8 Ų76.823%0.22639%0.385CS..Hα-helixtrans-59.9-53.5179-66.1167.5000109.9D34 L35 L40 S41 R42 I50D34-I38 WeakPolarHBondContact O-CG1 3.33Å; D34-I38 PolarHBondContact O-N 3.31Å; D34-I38 WeakPolarHBondContact OD1-CD1 3.4Å; L35-I38 PolarHBondContact O-N 3.32Å; I38-L40 PolarHBondContact O-N 3.1Å; I38-S41 PolarHBondContact O-N 3.41Å; I38-S41 PolarHBondContact O-OG 3.05Å; I38-R42 WeakPolarHBondContact O-CG 3.16Å; I38-I50 HydrophobicContact CG2-CD1 3.94Å; I38-I50 HydrophobicContact CG2-CG2 4.31Å
39V96.9Very high95.9Very high1 Ų177.9 Ų77.91%0.00639%0.39CS..Hα-helixtrans-65.6-42.4-174.8172.90000111.9F8 L35 S41 R42 I50 Y59 Y66F8-V39 HydrophobicContact CE2-CB 4.4Å; F8-V39 HydrophobicContact CE2-CG1 4.2Å; F8-V39 HydrophobicContact CZ-CB 3.8Å; F8-V39 HydrophobicContact CZ-CG1 3.75Å; F8-V39 HydrophobicContact CZ-CG2 4.33Å; L35-V39 WeakPolarHBondContact O-CB 3.39Å; L35-V39 VanDerWaalsContact O-CG2 3.3Å; L35-V39 WeakPolarHBondContact O-CG2 3.29Å; L35-V39 PolarHBondContact O-N 2.73Å; V39-S41 VanDerWaalsContact C-N 3.27Å; V39-S41 PolarHBondContact O-N 3.39Å; V39-R42 PolarHBondContact O-N 3.43Å; V39-I50 HydrophobicContact CG2-CD1 3.97Å; V39-Y59 HydrophobicContact CG1-CD2 3.58Å; V39-Y59 HydrophobicContact CG1-CE2 3.97Å; V39-Y59 HydrophobicContact CG1-CG 3.97Å; V39-Y59 HydrophobicContact CG2-CD1 4.32Å; V39-Y59 HydrophobicContact CG2-CG 4.15Å; V39-Y66 HydrophobicContact CG1-CD1 3.43Å; V39-Y66 VanDerWaalsContact CG1-CD1 3.43Å; V39-Y66 HydrophobicContact CG1-CE1 3.84Å; V39-Y66 HydrophobicContact CG1-CG 4.26Å
40L96.2Very high95.9Very high57 Ų5772.5 Ų72.530%0.29837%0.367SS..Hα-helixtrans-69-24178.4-67.8179.4000113.1F8 T36 I38 R42 Y66F8-L40 HydrophobicContact CD2-CD2 4.4Å; F8-L40 HydrophobicContact CE2-CD2 3.99Å; F8-L40 HydrophobicContact CE2-CG 4.01Å; T36-L40 HydrophobicContact CG2-CD1 3.63Å; T36-L40 HydrophobicContact CG2-CG 4.21Å; T36-L40 VanDerWaalsContact O-CB 3.26Å; T36-L40 WeakPolarHBondContact O-CB 3.45Å; T36-L40 WeakPolarHBondContact O-CG 3.32Å; T36-L40 PolarHBondContact O-N 3.45Å; I38-L40 PolarHBondContact O-N 3.1Å; L40-R42 VanDerWaalsContact C-N 3.3Å; L40-Y66 HydrophobicContact CD2-CD2 3.99Å; L40-Y66 HydrophobicContact CD2-CE2 3.65Å
41S95.9Very high95.9Very high91 Ų9174.7 Ų74.764%0.63638%0.379SS*.Hα-helixtrans-76.4-13.817676.10000114.1T37 I38 V39T37-S41 WeakPolarHBondContact O-CB 3.36Å; T37-S41 PolarHBondContact O-N 2.89Å; T37-S41 VanDerWaalsContact O-N 3.1Å; T37-S41 PolarHBondContact O-OG 3.37Å; I38-S41 PolarHBondContact O-N 3.41Å; I38-S41 PolarHBondContact O-OG 3.05Å; V39-S41 VanDerWaalsContact C-N 3.27Å; V39-S41 PolarHBondContact O-N 3.39Å
42R96.2Very high95.8Very high63 Ų6375.1 Ų75.124%0.23838%0.38CS..SBendtrans-81.6143-174.5-68.9173.575.283.5-7.6112.7I38 V39 L40 M46 C47 Y59I38-R42 WeakPolarHBondContact O-CG 3.16Å; V39-R42 PolarHBondContact O-N 3.43Å; L40-R42 VanDerWaalsContact C-N 3.3Å; R42-M46 HydrophobicContact CB-SD 3.83Å; R42-M46 HydrophobicContact CG-SD 4Å; R42-C47 PolarHBondContact NH2-O 2.91Å; R42-Y59 WeakPolarHBondContact CD-OH 3.37Å; R42-Y59 PolarHBondContact NE-OH 3.44Å
43K94.3Very high95.6Very high150 Ų15080.1 Ų80.165%0.65240%0.401SS*.  trans-75.3149.3176.3-62.6-179.4-178.1176.40110.5K45 M46K43-K45 PolarHBondContact O-N 2.93Å; K43-M46 HydrophobicContact CB-CE 4.25Å; K43-M46 HydrophobicContact CB-CG 4.17Å; K43-M46 HydrophobicContact CB-SD 4.3Å; K43-M46 HydrophobicContact CD-CE 4.33Å; K43-M46 HydrophobicContact CG-CE 4.17Å; K43-M46 PolarHBondContact N-SD 2.97Å; K43-M46 VanDerWaalsContact N-SD 3.42Å; K43-M46 WeakPolarHBondContact O-CB 3.37Å; K43-M46 PolarHBondContact O-N 3.38Å
44P90.7Very high95.5Very high127 Ų12778.6 Ų78.683%0.82541%0.406SS*.THydrogen-bonded Turntrans-57.2-22.4-176-28.535.5000116.8
45K91.6Very high95.5Very high211 Ų21177.1 Ų77.192%0.91740%0.398SS*.THydrogen-bonded Turntrans-93.91.2179.7-63.1-172.4178-174.80114K43K43-K45 PolarHBondContact O-N 2.93Å
46M95.8Very high95.5Very high87 Ų8779.2 Ų79.243%0.42941%0.407SS..SBendtrans-74.1157.5177.3-70.2-17816900110.8R42 K43R42-M46 HydrophobicContact CB-SD 3.83Å; R42-M46 HydrophobicContact CG-SD 4Å; K43-M46 HydrophobicContact CB-CE 4.25Å; K43-M46 HydrophobicContact CB-CG 4.17Å; K43-M46 HydrophobicContact CB-SD 4.3Å; K43-M46 HydrophobicContact CD-CE 4.33Å; K43-M46 HydrophobicContact CG-CE 4.17Å; K43-M46 PolarHBondContact N-SD 2.97Å; K43-M46 VanDerWaalsContact N-SD 3.42Å; K43-M46 WeakPolarHBondContact O-CB 3.37Å; K43-M46 PolarHBondContact O-N 3.38Å
47C95.6Very high95.5Very high71 Ų7178.3 Ų78.348%0.4840%0.401SS..  trans-55.7140.4176.6-172.30000111.5R42 F49 Y59R42-C47 PolarHBondContact NH2-O 2.91Å; C47-F49 PolarHBondContact O-N 3Å; C47-F49 WeakPolarHBondContact SG-CD2 3.33Å; C47-F49 PolarHBondContact SG-N 2.88Å; C47-F49 VanDerWaalsContact SG-N 3.42Å; C47-Y59 WeakPolarHBondContact O-CE1 3.19Å; C47-Y59 PolarHBondContact O-OH 3.01Å
48S96.4Very high95.6Very high36 Ų3673.8 Ų73.825%0.25237%0.374SS..SBendtrans-71.3-4.2174.2-82.70000114.1V58 Y59S48-V58 WeakPolarHBondContact O-CA 3.49Å; S48-Y59 VanDerWaalsContact CB-O 3.23Å; S48-Y59 WeakPolarHBondContact CB-O 3.42Å; S48-Y59 WeakPolarHBondContact O-CD1 3.13Å; S48-Y59 PolarHBondContact O-N 2.89Å; S48-Y59 PolarHBondContact OG-O 3.02Å
49F97.1Very high95.6Very high60 Ų6072.5 Ų72.526%0.26337%0.366SS..EExtended strand (participates in β ladder)trans-111.9138.3-179.6-41.8-50.5000110.2C47 V57 V58 E77 L78C47-F49 PolarHBondContact O-N 3Å; C47-F49 WeakPolarHBondContact SG-CD2 3.33Å; C47-F49 PolarHBondContact SG-N 2.88Å; C47-F49 VanDerWaalsContact SG-N 3.42Å; F49-V57 CarbonylContact C-O 3.54Å; F49-V57 WeakPolarHBondContact CA-O 3.47Å; F49-V58 HydrophobicContact CD1-CB 4.29Å; F49-V58 HydrophobicContact CD1-CG1 3.93Å; F49-V58 HydrophobicContact CD1-CG2 3.9Å; F49-V58 HydrophobicContact CE1-CG1 3.82Å; F49-V58 HydrophobicContact CE1-CG2 4.32Å; F49-E77 HydrophobicContact CD1-CB 3.6Å; F49-E77 HydrophobicContact CD1-CG 4.3Å; F49-E77 HydrophobicContact CD2-CB 4.34Å; F49-E77 HydrophobicContact CE1-CB 3.55Å; F49-E77 HydrophobicContact CE2-CB 4.32Å; F49-E77 HydrophobicContact CG-CB 4.01Å; F49-E77 HydrophobicContact CG-CG 4.37Å; F49-E77 HydrophobicContact CZ-CB 3.95Å; F49-L78 HydrophobicContact CE2-CD2 4.24Å; F49-L78 HydrophobicContact CZ-CD2 3.76Å; F49-L78 HydrophobicContact CZ-CG 4.48Å
50I96.5Very high95.6Very high17 Ų1776 Ų769%0.08738%0.379CS..EExtended strand (participates in β ladder)trans-134.2124.1-179.8-55.3169.1000107.5I38 V39 W52 V57 Y59I38-I50 HydrophobicContact CG2-CD1 3.94Å; I38-I50 HydrophobicContact CG2-CG2 4.31Å; V39-I50 HydrophobicContact CG2-CD1 3.97Å; I50-W52 PolarHBondContact O-N 2.56Å; I50-V57 HydrophobicContact CB-CB 4.22Å; I50-V57 PolarHBondContact N-O 2.81Å; I50-V57 PolarHBondContact O-N 3.37Å; I50-Y59 HydrophobicContact CD1-CD1 3.69Å; I50-Y59 HydrophobicContact CD1-CE1 3.6Å; I50-Y59 HydrophobicContact CG1-CD1 4.08Å; I50-Y59 HydrophobicContact CG1-CE1 3.84Å
51E95.6Very high95.6Very high174 Ų17478.7 Ų78.781%0.81339%0.386SS*.EExtended strand (participates in β ladder)trans-73.6119.6165.6-66.5179177.800108.4
52W95.4Very high95.6Very high16 Ų1676.5 Ų76.56%0.06136%0.364CS..EExtended strand (participates in β ladder)trans-136.3107.5-177.7178.781.6000109.5F4 I31 D34 L35 I50 D54 L55 V57F4-W52 HydrophobicContact CZ-CZ3 4.27Å; I31-W52 HydrophobicContact CB-CH2 4.22Å; I31-W52 HydrophobicContact CD1-CH2 4.17Å; I31-W52 HydrophobicContact CG1-CH2 3.78Å; I31-W52 HydrophobicContact CG1-CZ2 4.36Å; I31-W52 HydrophobicContact CG2-CH2 3.78Å; I31-W52 HydrophobicContact CG2-CZ2 4.31Å; I31-W52 HydrophobicContact CG2-CZ3 4.44Å; D34-W52 PolarHBondContact OD2-NE1 3.27Å; L35-W52 HydrophobicContact CD2-CB 4.41Å; L35-W52 HydrophobicContact CD2-CD2 3.68Å; L35-W52 HydrophobicContact CD2-CE3 4.26Å; L35-W52 HydrophobicContact CD2-CG 3.73Å; L35-W52 HydrophobicContact CD2-CZ2 4.37Å; L35-W52 HydrophobicContact CG-CZ2 4.46Å; I50-W52 PolarHBondContact O-N 2.56Å; W52-D54 PolarHBondContact O-N 2.94Å; W52-L55 CarbonylContact C-O 3.6Å; W52-L55 HydrophobicContact CZ3-CD1 4.28Å; W52-L55 PolarHBondContact N-O 3.25Å; W52-L55 PolarHBondContact O-N 3.42Å; W52-L55 VanDerWaalsContact O-N 3.12Å; W52-L55 VanDerWaalsContact O-O 3.08Å; W52-V57 HydrophobicContact CB-CG2 3.82Å; W52-V57 HydrophobicContact CE3-CG2 4.31Å; W52-V57 HydrophobicContact CG-CG2 4.37Å
53K93Very high95.5Very high128 Ų12877.7 Ų77.756%0.55739%0.387SS*.THydrogen-bonded Turntrans55-131.8-169.3-52.8175.4-178166.80109.8L55K53-L55 VanDerWaalsContact C-N 3.27Å; K53-L55 PolarHBondContact O-N 2.92Å
54D94.1Very high95.4Very high143 Ų14372.6 Ų72.677%0.76537%0.37SS*.THydrogen-bonded Turntrans-90.415.9178.4-49.1-54.9000112.8W52 P73W52-D54 PolarHBondContact O-N 2.94Å; D54-P73 WeakPolarHBondContact O-CD 3.4Å; D54-P73 WeakPolarHBondContact O-CG 3.28Å
55L96.3Very high95.7Very high26 Ų2667.1 Ų67.114%0.13633%0.334CS..EExtended strand (participates in β ladder)trans-123.2159.2-179-62.9176.3000111.5Q3 F4 W52 K53 A70Q3-L55 HydrophobicContact CB-CD1 4.4Å; Q3-L55 HydrophobicContact CG-CD1 3.97Å; Q3-L55 HydrophobicContact CG-CD2 3.89Å; F4-L55 HydrophobicContact CE1-CD1 4.5Å; W52-L55 CarbonylContact C-O 3.6Å; W52-L55 HydrophobicContact CZ3-CD1 4.28Å; W52-L55 PolarHBondContact N-O 3.25Å; W52-L55 PolarHBondContact O-N 3.42Å; W52-L55 VanDerWaalsContact O-N 3.12Å; W52-L55 VanDerWaalsContact O-O 3.08Å; K53-L55 VanDerWaalsContact C-N 3.27Å; K53-L55 PolarHBondContact O-N 2.92Å; L55-A70 HydrophobicContact CD1-CB 4.25Å
56K97Very high96Very high46 Ų4658.1 Ų58.120%0.229%0.294CS..EExtended strand (participates in β ladder)trans-103127.1169.6-67.4174.9173.71800109.1A70 V71 P73 E77K56-A70 WeakPolarHBondContact O-CA 3.34Å; K56-V71 HydrophobicContact CB-CG2 3.99Å; K56-V71 PolarHBondContact N-O 3.1Å; K56-V71 PolarHBondContact O-N 3.24Å; K56-P73 VanDerWaalsContact CE-O 3.23Å; K56-P73 WeakPolarHBondContact CE-O 3.45Å; K56-P73 PolarHBondContact NZ-O 3.37Å; K56-E77 HydrophobicContact CD-CG 3.96Å; K56-E77 WeakPolarHBondContact CD-OE1 3.3Å; K56-E77 WeakPolarHBondContact CE-OE1 3.45Å; K56-E77 IonicContact NZ-OE1 2.68Å; K56-E77 PolarHBondContact NZ-OE1 3.46Å
57V97.7Very high96.1Very high1 Ų154.2 Ų54.21%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-103.1120.2177172.90000109.1L35 F49 I50 W52 C68 A69 A70L35-V57 HydrophobicContact CD1-CG2 4.41Å; L35-V57 HydrophobicContact CD2-CG1 4.43Å; L35-V57 HydrophobicContact CD2-CG2 3.85Å; F49-V57 CarbonylContact C-O 3.54Å; F49-V57 WeakPolarHBondContact CA-O 3.47Å; I50-V57 HydrophobicContact CB-CB 4.22Å; I50-V57 PolarHBondContact N-O 2.81Å; I50-V57 PolarHBondContact O-N 3.37Å; W52-V57 HydrophobicContact CB-CG2 3.82Å; W52-V57 HydrophobicContact CE3-CG2 4.31Å; W52-V57 HydrophobicContact CG-CG2 4.37Å; V57-C68 WeakPolarHBondContact CG1-SG 3.39Å; V57-A69 CarbonylContact C-O 3.58Å; V57-A69 WeakPolarHBondContact CA-O 2.92Å; V57-A70 HydrophobicContact CG2-CB 4.24Å
58V98Very high96.2Very high0 Ų050.9 Ų50.90%025%0.252CS..EExtended strand (participates in β ladder)trans-104.9123.5176.1-176.70000108.2S48 F49 C68 A69 V71 E77 T80 L81 I84S48-V58 WeakPolarHBondContact O-CA 3.49Å; F49-V58 HydrophobicContact CD1-CB 4.29Å; F49-V58 HydrophobicContact CD1-CG1 3.93Å; F49-V58 HydrophobicContact CD1-CG2 3.9Å; F49-V58 HydrophobicContact CE1-CG1 3.82Å; F49-V58 HydrophobicContact CE1-CG2 4.32Å; V58-C68 WeakPolarHBondContact O-CA 3.48Å; V58-A69 PolarHBondContact N-O 3.4Å; V58-A69 PolarHBondContact O-N 3.06Å; V58-V71 HydrophobicContact CG2-CG2 4.25Å; V58-E77 HydrophobicContact CG2-CB 3.96Å; V58-E77 HydrophobicContact CG2-CG 4.34Å; V58-T80 HydrophobicContact CB-CG2 3.9Å; V58-T80 HydrophobicContact CG1-CG2 4.25Å; V58-T80 HydrophobicContact CG2-CG2 3.97Å; V58-L81 HydrophobicContact CG1-CB 4.15Å; V58-L81 HydrophobicContact CG1-CD1 3.84Å; V58-I84 HydrophobicContact CG1-CD1 4.25Å
59Y97.8Very high96.3Very high17 Ų1749.1 Ų49.17%0.06724%0.24CC..EExtended strand (participates in β ladder)trans-132.1145.9178.879.7-82.5000113V39 R42 C47 S48 I50 Y66 F67V39-Y59 HydrophobicContact CG1-CD2 3.58Å; V39-Y59 HydrophobicContact CG1-CE2 3.97Å; V39-Y59 HydrophobicContact CG1-CG 3.97Å; V39-Y59 HydrophobicContact CG2-CD1 4.32Å; V39-Y59 HydrophobicContact CG2-CG 4.15Å; R42-Y59 WeakPolarHBondContact CD-OH 3.37Å; R42-Y59 PolarHBondContact NE-OH 3.44Å; C47-Y59 WeakPolarHBondContact O-CE1 3.19Å; C47-Y59 PolarHBondContact O-OH 3.01Å; S48-Y59 VanDerWaalsContact CB-O 3.23Å; S48-Y59 WeakPolarHBondContact CB-O 3.42Å; S48-Y59 WeakPolarHBondContact O-CD1 3.13Å; S48-Y59 PolarHBondContact O-N 2.89Å; S48-Y59 PolarHBondContact OG-O 3.02Å; I50-Y59 HydrophobicContact CD1-CD1 3.69Å; I50-Y59 HydrophobicContact CD1-CE1 3.6Å; I50-Y59 HydrophobicContact CG1-CD1 4.08Å; I50-Y59 HydrophobicContact CG1-CE1 3.84Å; Y59-Y66 HydrophobicContact CD2-CD1 4.35Å; Y59-F67 CarbonylContact C-O 3.54Å; Y59-F67 WeakPolarHBondContact CA-O 3.47Å; Y59-F67 WeakPolarHBondContact CB-O 3.3Å
60R97.2Very high96.3Very high75 Ų7546.3 Ų46.328%0.28323%0.227SC..EExtended strand (participates in β ladder)trans-141140.5174.4-167.7162.4173.7179.5-1.3110.2Y62 F67 L81 I84R60-Y62 HydrophobicContact CB-CE2 3.94Å; R60-Y62 VanDerWaalsContact CD-OH 3.22Å; R60-Y62 WeakPolarHBondContact CD-OH 3.47Å; R60-Y62 HydrophobicContact CG-CD2 4.26Å; R60-Y62 HydrophobicContact CG-CE2 3.62Å; R60-Y62 VanDerWaalsContact CZ-OH 3.23Å; R60-Y62 PolarHBondContact NE-OH 3.14Å; R60-Y62 VanDerWaalsContact NE-OH 3.12Å; R60-Y62 PolarHBondContact NH1-OH 3.25Å; R60-F67 PolarHBondContact N-O 3.25Å; R60-F67 PolarHBondContact O-N 3.4Å; R60-L81 HydrophobicContact CB-CD1 3.84Å; R60-L81 HydrophobicContact CG-CD1 4.32Å; R60-I84 HydrophobicContact CB-CG2 4.38Å
61R96.4Very high96.3Very high114 Ų11445.6 Ų45.643%0.4322%0.224SC..EExtended strand (participates in β ladder)trans-99.7128.1177.5-176-173.9169.2-167-12.1109.8A63 L65 Y66R61-A63 PolarHBondContact NE-O 3.45Å; R61-A63 PolarHBondContact NH2-O 3.06Å; R61-L65 CarbonylContact C-O 3.57Å; R61-L65 WeakPolarHBondContact CA-O 3.27Å; R61-L65 WeakPolarHBondContact CG-O 3.22Å; R61-Y66 HydrophobicContact CB-CD1 4.1Å; R61-Y66 HydrophobicContact CB-CE1 4.01Å; R61-Y66 HydrophobicContact CG-CD1 4.36Å; R61-Y66 HydrophobicContact CG-CD2 4.39Å; R61-Y66 HydrophobicContact CG-CE1 4.13Å; R61-Y66 HydrophobicContact CG-CE2 4.11Å
62Y95.7Very high96.4Very high45 Ų4539.6 Ų39.618%0.17620%0.196CC..EExtended strand (participates in β ladder)trans-121114.1169.9-66.2-89.1000108.3R60 S64 L65 F67 I84 H85 V88R60-Y62 HydrophobicContact CB-CE2 3.94Å; R60-Y62 VanDerWaalsContact CD-OH 3.22Å; R60-Y62 WeakPolarHBondContact CD-OH 3.47Å; R60-Y62 HydrophobicContact CG-CD2 4.26Å; R60-Y62 HydrophobicContact CG-CE2 3.62Å; R60-Y62 VanDerWaalsContact CZ-OH 3.23Å; R60-Y62 PolarHBondContact NE-OH 3.14Å; R60-Y62 VanDerWaalsContact NE-OH 3.12Å; R60-Y62 PolarHBondContact NH1-OH 3.25Å; Y62-S64 PolarHBondContact O-N 3.46Å; Y62-S64 VanDerWaalsContact O-N 3.08Å; Y62-L65 PolarHBondContact N-O 3.05Å; Y62-L65 PolarHBondContact O-N 3.36Å; Y62-F67 AromaticContact CD2-CD2 3.69Å; Y62-F67 HydrophobicContact CD2-CD2 3.69Å; Y62-F67 AromaticContact CD2-CE2 3.95Å; Y62-F67 HydrophobicContact CD2-CE2 3.95Å; Y62-F67 HydrophobicContact CD2-CG 4.43Å; Y62-F67 HydrophobicContact CE2-CD2 4.4Å; Y62-I84 HydrophobicContact CE2-CG2 3.97Å; Y62-H85 AromaticContact CE1-ND1 3.7Å; Y62-H85 AromaticContact CZ-ND1 3.67Å; Y62-H85 VanDerWaalsContact OH-CA 3.27Å; Y62-H85 WeakPolarHBondContact OH-CA 3.37Å; Y62-H85 WeakPolarHBondContact OH-CB 3.46Å; Y62-H85 PolarHBondContact OH-ND1 3.43Å; Y62-V88 HydrophobicContact CD1-CG1 4.09Å; Y62-V88 HydrophobicContact CD2-CG2 3.83Å; Y62-V88 HydrophobicContact CE1-CG1 4.23Å; Y62-V88 HydrophobicContact CE2-CG2 3.76Å; Y62-V88 HydrophobicContact CG-CG1 4.31Å; Y62-V88 HydrophobicContact CG-CG2 4.24Å
63A93.6Very high96.3Very high87 Ų8742 Ų4272%0.71921%0.214SC*.THydrogen-bonded Turntrans50.8-110.9-173.700000113.6R61R61-A63 PolarHBondContact NE-O 3.45Å; R61-A63 PolarHBondContact NH2-O 3.06Å
64S92.6Very high96.4Very high44 Ų4442.5 Ų42.531%0.30822%0.218SC..THydrogen-bonded Turntrans-93.8-7.817854.60000114.1S9 R10 Y62 E100S9-S64 CarbonylContact C-O 3.5Å; S9-S64 WeakPolarHBondContact CA-O 3.33Å; R10-S64 PolarHBondContact N-O 3.39Å; Y62-S64 PolarHBondContact O-N 3.46Å; Y62-S64 VanDerWaalsContact O-N 3.08Å; S64-E100 VanDerWaalsContact CB-OE2 3.28Å; S64-E100 WeakPolarHBondContact CB-OE2 3.32Å; S64-E100 PolarHBondContact OG-OE2 2.85Å
65L96.2Very high96.5Very high11 Ų1137.5 Ų37.56%0.05819%0.191CC..EExtended strand (participates in β ladder)trans-100.5142.8-176.8-70.3176.3000112.5R15 R61 Y62 F67 E100 I103R15-L65 HydrophobicContact CG-CD2 3.77Å; R61-L65 CarbonylContact C-O 3.57Å; R61-L65 WeakPolarHBondContact CA-O 3.27Å; R61-L65 WeakPolarHBondContact CG-O 3.22Å; Y62-L65 PolarHBondContact N-O 3.05Å; Y62-L65 PolarHBondContact O-N 3.36Å; L65-F67 HydrophobicContact CB-CD2 4.43Å; L65-F67 HydrophobicContact CB-CE2 3.91Å; L65-F67 HydrophobicContact CD1-CE2 4.42Å; L65-E100 HydrophobicContact CD1-CB 3.99Å; L65-E100 HydrophobicContact CD1-CG 4.36Å; L65-E100 HydrophobicContact CD2-CB 4.22Å; L65-E100 HydrophobicContact CD2-CG 3.8Å; L65-E100 HydrophobicContact CG-CB 3.96Å; L65-E100 HydrophobicContact CG-CG 4.12Å; L65-I103 HydrophobicContact CD1-CD1 3.74Å
66Y97.6Very high96.4Very high23 Ų2340.5 Ų40.59%0.0921%0.208CC..EExtended strand (participates in β ladder)trans-110.8126.2170.1-72.3-101000108.4L7 F8 R10 V39 L40 Y59 R61L7-Y66 VanDerWaalsContact CA-O 3.29Å; L7-Y66 WeakPolarHBondContact CA-O 3.42Å; F8-Y66 HydrophobicContact CD2-CD2 4.41Å; F8-Y66 HydrophobicContact CD2-CG 4.33Å; F8-Y66 VanDerWaalsContact CE2-CB 3.44Å; F8-Y66 HydrophobicContact CE2-CD1 4.39Å; F8-Y66 HydrophobicContact CE2-CD2 4.13Å; F8-Y66 AromaticContact CE2-CG 3.76Å; F8-Y66 HydrophobicContact CE2-CG 3.76Å; F8-Y66 HydrophobicContact CZ-CG 4.24Å; F8-Y66 PolarHBondContact N-O 3.28Å; F8-Y66 PolarHBondContact O-N 3.5Å; R10-Y66 HydrophobicContact CB-CE2 4.37Å; V39-Y66 HydrophobicContact CG1-CD1 3.43Å; V39-Y66 VanDerWaalsContact CG1-CD1 3.43Å; V39-Y66 HydrophobicContact CG1-CE1 3.84Å; V39-Y66 HydrophobicContact CG1-CG 4.26Å; L40-Y66 HydrophobicContact CD2-CD2 3.99Å; L40-Y66 HydrophobicContact CD2-CE2 3.65Å; Y59-Y66 HydrophobicContact CD2-CD1 4.35Å; R61-Y66 HydrophobicContact CB-CD1 4.1Å; R61-Y66 HydrophobicContact CB-CE1 4.01Å; R61-Y66 HydrophobicContact CG-CD1 4.36Å; R61-Y66 HydrophobicContact CG-CD2 4.39Å; R61-Y66 HydrophobicContact CG-CE1 4.13Å; R61-Y66 HydrophobicContact CG-CE2 4.11Å
67F98Very high96.4Very high5 Ų540.8 Ų40.82%0.02221%0.209CC..EExtended strand (participates in β ladder)trans-101.7129.3171.3-69.4-110.6000107.1L7 Y59 R60 Y62 L65 I84 Y87 V88 L91L7-F67 HydrophobicContact CD1-CD1 3.67Å; L7-F67 HydrophobicContact CD1-CE1 3.97Å; L7-F67 HydrophobicContact CD1-CG 4.38Å; L7-F67 HydrophobicContact CD2-CD1 3.98Å; L7-F67 HydrophobicContact CD2-CE1 3.42Å; L7-F67 VanDerWaalsContact CD2-CE1 3.42Å; L7-F67 HydrophobicContact CD2-CZ 3.71Å; L7-F67 HydrophobicContact CG-CD1 3.62Å; L7-F67 HydrophobicContact CG-CE1 3.62Å; L7-F67 HydrophobicContact CG-CG 4.1Å; L7-F67 HydrophobicContact CG-CZ 4.07Å; Y59-F67 CarbonylContact C-O 3.54Å; Y59-F67 WeakPolarHBondContact CA-O 3.47Å; Y59-F67 WeakPolarHBondContact CB-O 3.3Å; R60-F67 PolarHBondContact N-O 3.25Å; R60-F67 PolarHBondContact O-N 3.4Å; Y62-F67 AromaticContact CD2-CD2 3.69Å; Y62-F67 HydrophobicContact CD2-CD2 3.69Å; Y62-F67 AromaticContact CD2-CE2 3.95Å; Y62-F67 HydrophobicContact CD2-CE2 3.95Å; Y62-F67 HydrophobicContact CD2-CG 4.43Å; Y62-F67 HydrophobicContact CE2-CD2 4.4Å; L65-F67 HydrophobicContact CB-CD2 4.43Å; L65-F67 HydrophobicContact CB-CE2 3.91Å; L65-F67 HydrophobicContact CD1-CE2 4.42Å; F67-I84 HydrophobicContact CB-CG2 3.49Å; F67-I84 VanDerWaalsContact CB-CG2 3.49Å; F67-I84 HydrophobicContact CD1-CG2 4.13Å; F67-I84 HydrophobicContact CG-CG2 3.94Å; F67-Y87 HydrophobicContact CD1-CD1 4.27Å; F67-Y87 AromaticContact CE1-CD1 3.86Å; F67-Y87 HydrophobicContact CE1-CD1 3.86Å; F67-Y87 HydrophobicContact CE1-CE1 4.01Å; F67-V88 HydrophobicContact CD1-CG2 4.17Å; F67-V88 HydrophobicContact CD2-CG2 4.38Å; F67-V88 HydrophobicContact CE1-CG2 3.64Å; F67-V88 HydrophobicContact CE2-CG2 3.9Å; F67-V88 HydrophobicContact CZ-CG2 3.52Å; F67-L91 HydrophobicContact CE1-CD1 4.48Å
68C97.7Very high96.4Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-137.2112.9-173.7-178.10000109.2I6 F8 V57 V58I6-C68 PolarHBondContact N-O 2.78Å; I6-C68 PolarHBondContact O-N 3.47Å; F8-C68 HydrophobicContact CE1-CB 3.93Å; V57-C68 WeakPolarHBondContact CG1-SG 3.39Å; V58-C68 WeakPolarHBondContact O-CA 3.48Å
69A98.1Very high96.3Very high0 Ų050.9 Ų50.90%026%0.262CS..EExtended strand (participates in β ladder)trans-109.1140174.600000109.8M2 F4 L5 V57 V58 T80 I84M2-A69 HydrophobicContact CG-CB 4.41Å; M2-A69 HydrophobicContact SD-CB 3.87Å; F4-A69 WeakPolarHBondContact O-CA 3.23Å; L5-A69 HydrophobicContact CD1-CB 4.07Å; V57-A69 CarbonylContact C-O 3.58Å; V57-A69 WeakPolarHBondContact CA-O 2.92Å; V58-A69 PolarHBondContact N-O 3.4Å; V58-A69 PolarHBondContact O-N 3.06Å; A69-T80 HydrophobicContact CB-CG2 3.81Å; A69-I84 HydrophobicContact CB-CD1 4.07Å; A69-I84 HydrophobicContact CB-CG1 4.48Å
70A97.8Very high96.2Very high0 Ų050.6 Ų50.60%026%0.262CS..EExtended strand (participates in β ladder)trans-106.7130.2167.600000109.8M2 Q3 F4 L55 K56 V57M2-A70 CarbonylContact C-O 3.56Å; M2-A70 WeakPolarHBondContact CA-O 3.31Å; Q3-A70 HydrophobicContact CB-CB 4.27Å; Q3-A70 PolarHBondContact N-O 3.38Å; F4-A70 HydrophobicContact CD1-CB 4.12Å; F4-A70 HydrophobicContact CD2-CB 3.93Å; F4-A70 HydrophobicContact CE1-CB 3.6Å; F4-A70 HydrophobicContact CE2-CB 3.37Å; F4-A70 HydrophobicContact CG-CB 4.28Å; F4-A70 HydrophobicContact CZ-CB 3.19Å; F4-A70 PolarHBondContact O-N 2.7Å; L55-A70 HydrophobicContact CD1-CB 4.25Å; K56-A70 WeakPolarHBondContact O-CA 3.34Å; V57-A70 HydrophobicContact CG2-CB 4.24Å
71V97.2Very high96.2Very high3 Ų348.2 Ų48.22%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-128.8162.5-177.2-61.20000110.2M2 K56 V58 D75 T80M2-V71 HydrophobicContact CB-CG1 4.15Å; M2-V71 HydrophobicContact CG-CG1 4.36Å; K56-V71 HydrophobicContact CB-CG2 3.99Å; K56-V71 PolarHBondContact N-O 3.1Å; K56-V71 PolarHBondContact O-N 3.24Å; V58-V71 HydrophobicContact CG2-CG2 4.25Å; V71-D75 HydrophobicContact CB-CB 4.04Å; V71-D75 HydrophobicContact CG2-CB 4.17Å; V71-T80 HydrophobicContact CG1-CG2 3.64Å
72E96.4Very high96.3Very high48 Ų4848 Ų4822%0.22426%0.259CS..  trans-74.3156.7-179.8-65.1173.314700111M1 Q74 D75M1-E72 PolarHBondContact N-OE2 3Å; M1-E72 VanDerWaalsContact N-OE2 3.08Å; M1-E72 PolarHBondContact O-N 3.49Å; E72-Q74 VanDerWaalsContact CB-CD 3.49Å; E72-Q74 HydrophobicContact CB-CG 4.36Å; E72-Q74 PolarHBondContact O-N 2.91Å; E72-Q74 VanDerWaalsContact O-N 3.12Å; E72-Q74 PolarHBondContact OE2-NE2 2.87Å; E72-D75 PolarHBondContact N-OD2 3.14Å; E72-D75 PolarHBondContact O-N 3.36Å
73P94.4Very high96.3Very high66 Ų6647.4 Ų47.443%0.42926%0.259SS..THydrogen-bonded Turntrans-57.6-28.4-176.7-2836.7000115.1D54 K56D54-P73 WeakPolarHBondContact O-CD 3.4Å; D54-P73 WeakPolarHBondContact O-CG 3.28Å; K56-P73 VanDerWaalsContact CE-O 3.23Å; K56-P73 WeakPolarHBondContact CE-O 3.45Å; K56-P73 PolarHBondContact NZ-O 3.37Å
74Q95.2Very high96.5Very high138 Ų13843.5 Ų43.565%0.64523%0.226SC*.THydrogen-bonded Turntrans-77.5-16.1178.461.3-88.519.300114.4E72E72-Q74 VanDerWaalsContact CB-CD 3.49Å; E72-Q74 HydrophobicContact CB-CG 4.36Å; E72-Q74 PolarHBondContact O-N 2.91Å; E72-Q74 VanDerWaalsContact O-N 3.12Å; E72-Q74 PolarHBondContact OE2-NE2 2.87Å
75D95Very high96.7Very high39 Ų3943.8 Ų43.821%0.20922%0.222CC..SBendtrans-77.6153.7-176.3-64.6-40000112M1 V71 E72 E77M1-D75 PolarHBondContact N-OD1 2.8Å; M1-D75 PolarHBondContact N-OD2 3.17Å; V71-D75 HydrophobicContact CB-CB 4.04Å; V71-D75 HydrophobicContact CG2-CB 4.17Å; E72-D75 PolarHBondContact N-OD2 3.14Å; E72-D75 PolarHBondContact O-N 3.36Å; D75-E77 PolarHBondContact O-N 3.31Å
76N95.6Very high96.7Very high89 Ų8946.8 Ų46.848%0.47623%0.233SC..  trans-82.7114178.5-176-29.4000111L78 L79 T80N76-L78 VanDerWaalsContact C-N 3.32Å; N76-L78 PolarHBondContact O-N 2.69Å; N76-L78 WeakPolarHBondContact OD1-CB 3.47Å; N76-L78 PolarHBondContact OD1-N 3.07Å; N76-L79 HydrophobicContact CB-CB 3.99Å; N76-L79 PolarHBondContact O-N 3.47Å; N76-L79 PolarHBondContact OD1-N 3.15Å; N76-T80 PolarHBondContact O-N 2.69Å; N76-T80 VanDerWaalsContact O-N 3.09Å; N76-T80 PolarHBondContact O-OG1 2.6Å; N76-T80 VanDerWaalsContact O-OG1 3.12Å
77E95.8Very high96.7Very high51 Ų5145.8 Ų45.824%0.23823%0.229CC..Hα-helixtrans-67.4-31.3-175.6-53.191.6151.300113F49 K56 V58 D75 T80 L81F49-E77 HydrophobicContact CD1-CB 3.6Å; F49-E77 HydrophobicContact CD1-CG 4.3Å; F49-E77 HydrophobicContact CD2-CB 4.34Å; F49-E77 HydrophobicContact CE1-CB 3.55Å; F49-E77 HydrophobicContact CE2-CB 4.32Å; F49-E77 HydrophobicContact CG-CB 4.01Å; F49-E77 HydrophobicContact CG-CG 4.37Å; F49-E77 HydrophobicContact CZ-CB 3.95Å; K56-E77 HydrophobicContact CD-CG 3.96Å; K56-E77 WeakPolarHBondContact CD-OE1 3.3Å; K56-E77 WeakPolarHBondContact CE-OE1 3.45Å; K56-E77 IonicContact NZ-OE1 2.68Å; K56-E77 PolarHBondContact NZ-OE1 3.46Å; V58-E77 HydrophobicContact CG2-CB 3.96Å; V58-E77 HydrophobicContact CG2-CG 4.34Å; D75-E77 PolarHBondContact O-N 3.31Å; E77-T80 PolarHBondContact O-N 2.98Å; E77-L81 PolarHBondContact O-N 3.42Å
78L97.1Very high96.6Very high110 Ų11046.6 Ų46.658%0.57623%0.234SC*.Hα-helixtrans-70.7-38.7177.1-61.6171.5000110.7F49 N76 T80 L81 E82F49-L78 HydrophobicContact CE2-CD2 4.24Å; F49-L78 HydrophobicContact CZ-CD2 3.76Å; F49-L78 HydrophobicContact CZ-CG 4.48Å; N76-L78 VanDerWaalsContact C-N 3.32Å; N76-L78 PolarHBondContact O-N 2.69Å; N76-L78 WeakPolarHBondContact OD1-CB 3.47Å; N76-L78 PolarHBondContact OD1-N 3.07Å; L78-T80 VanDerWaalsContact C-N 3.34Å; L78-L81 WeakPolarHBondContact O-CB 3.4Å; L78-L81 PolarHBondContact O-N 3.15Å; L78-E82 PolarHBondContact O-N 2.66Å
79L96.3Very high96.5Very high104 Ų10449.1 Ų49.155%0.54525%0.245SC..Hα-helixtrans-63.9-42.2174-175.762.5000110.7N76 L81 E82 I83N76-L79 HydrophobicContact CB-CB 3.99Å; N76-L79 PolarHBondContact O-N 3.47Å; N76-L79 PolarHBondContact OD1-N 3.15Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 2.7Å; L79-E82 PolarHBondContact O-N 3.12Å; L79-E82 VanDerWaalsContact O-N 3.15Å; L79-I83 HydrophobicContact CG-CD1 4.29Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 3.18Å
80T97.1Very high96.4Very high10 Ų1049.2 Ų49.26%0.06125%0.246CC..Hα-helixtrans-59.9-37.9173.3-47.60000112.2V58 A69 V71 N76 E77 L78 E82 I83 I84V58-T80 HydrophobicContact CB-CG2 3.9Å; V58-T80 HydrophobicContact CG1-CG2 4.25Å; V58-T80 HydrophobicContact CG2-CG2 3.97Å; A69-T80 HydrophobicContact CB-CG2 3.81Å; V71-T80 HydrophobicContact CG1-CG2 3.64Å; N76-T80 PolarHBondContact O-N 2.69Å; N76-T80 VanDerWaalsContact O-N 3.09Å; N76-T80 PolarHBondContact O-OG1 2.6Å; N76-T80 VanDerWaalsContact O-OG1 3.12Å; E77-T80 PolarHBondContact O-N 2.98Å; L78-T80 VanDerWaalsContact C-N 3.34Å; T80-E82 VanDerWaalsContact C-N 3.33Å; T80-E82 PolarHBondContact O-N 2.88Å; T80-I83 WeakPolarHBondContact O-CB 3.42Å; T80-I83 PolarHBondContact O-N 3.04Å; T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 3.41Å
81L97.1Very high96.3Very high26 Ų2649.2 Ų49.214%0.13625%0.246CC..Hα-helixtrans-64.7-38.3176.5-164.269.4000112.1V58 R60 E77 L78 L79 H85V58-L81 HydrophobicContact CG1-CB 4.15Å; V58-L81 HydrophobicContact CG1-CD1 3.84Å; R60-L81 HydrophobicContact CB-CD1 3.84Å; R60-L81 HydrophobicContact CG-CD1 4.32Å; E77-L81 PolarHBondContact O-N 3.42Å; L78-L81 WeakPolarHBondContact O-CB 3.4Å; L78-L81 PolarHBondContact O-N 3.15Å; L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 2.7Å; L81-H85 PolarHBondContact O-N 2.95Å
82E96.9Very high96.3Very high108 Ų10852.7 Ų52.751%0.50527%0.265SS..Hα-helixtrans-69.8-36.1173.5-72.3-57.2128.800112.2L78 L79 T80 H85 R86L78-E82 PolarHBondContact O-N 2.66Å; L79-E82 PolarHBondContact O-N 3.12Å; L79-E82 VanDerWaalsContact O-N 3.15Å; T80-E82 VanDerWaalsContact C-N 3.33Å; T80-E82 PolarHBondContact O-N 2.88Å; E82-H85 PolarHBondContact O-N 3.47Å; E82-R86 WeakPolarHBondContact O-CB 3.13Å; E82-R86 PolarHBondContact O-N 3.45Å
83I96.7Very high96.2Very high34 Ų3455.3 Ų55.317%0.17428%0.275CS..Hα-helixtrans-60.8-46.3172.6-70.6167.9000110.5L79 T80 H85 R86 Y87 F117 M118 V123L79-I83 HydrophobicContact CG-CD1 4.29Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.46Å; L79-I83 PolarHBondContact O-N 3.18Å; T80-I83 WeakPolarHBondContact O-CB 3.42Å; T80-I83 PolarHBondContact O-N 3.04Å; I83-H85 VanDerWaalsContact C-N 3.29Å; I83-H85 PolarHBondContact O-N 3.4Å; I83-R86 PolarHBondContact O-N 2.94Å; I83-Y87 PolarHBondContact O-N 3.3Å; I83-F117 HydrophobicContact CB-CZ 4.49Å; I83-F117 HydrophobicContact CG2-CE1 3.71Å; I83-F117 HydrophobicContact CG2-CZ 3.9Å; I83-F117 WeakPolarHBondContact O-CE1 3.31Å; I83-M118 HydrophobicContact CG2-CE 4.32Å; I83-M118 HydrophobicContact CG2-SD 3.45Å; I83-M118 WeakPolarHBondContact CG2-SD 3.38Å; I83-V123 HydrophobicContact CD1-CG2 3.52Å; I83-V123 HydrophobicContact CG1-CG2 3.71Å; I83-V123 HydrophobicContact CG2-CG2 4.3Å
84I97.3Very high96.2Very high5 Ų553.9 Ų53.93%0.02626%0.262CS..Hα-helixtrans-59.4-43.7174.4-69.2170.7000110.4L5 V58 R60 Y62 F67 A69 T80 Y87 V88L5-I84 HydrophobicContact CD1-CG1 4.49Å; V58-I84 HydrophobicContact CG1-CD1 4.25Å; R60-I84 HydrophobicContact CB-CG2 4.38Å; Y62-I84 HydrophobicContact CE2-CG2 3.97Å; F67-I84 HydrophobicContact CB-CG2 3.49Å; F67-I84 VanDerWaalsContact CB-CG2 3.49Å; F67-I84 HydrophobicContact CD1-CG2 4.13Å; F67-I84 HydrophobicContact CG-CG2 3.94Å; A69-I84 HydrophobicContact CB-CD1 4.07Å; A69-I84 HydrophobicContact CB-CG1 4.48Å; T80-I84 WeakPolarHBondContact O-CG1 3.36Å; T80-I84 PolarHBondContact O-N 3.41Å; I84-Y87 PolarHBondContact O-N 3.4Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.19Å; I84-V88 VanDerWaalsContact O-N 3.15Å
85H96.9Very high96.2Very high50 Ų5049.5 Ų49.523%0.23124%0.241CC..Hα-helixtrans-63.3-44.4178.6-168.645.6000111.9Y62 L81 E82 I83 Y87 V88 E89Y62-H85 AromaticContact CE1-ND1 3.7Å; Y62-H85 AromaticContact CZ-ND1 3.67Å; Y62-H85 VanDerWaalsContact OH-CA 3.27Å; Y62-H85 WeakPolarHBondContact OH-CA 3.37Å; Y62-H85 WeakPolarHBondContact OH-CB 3.46Å; Y62-H85 PolarHBondContact OH-ND1 3.43Å; L81-H85 PolarHBondContact O-N 2.95Å; E82-H85 PolarHBondContact O-N 3.47Å; I83-H85 VanDerWaalsContact C-N 3.29Å; I83-H85 PolarHBondContact O-N 3.4Å; H85-Y87 VanDerWaalsContact C-N 3.32Å; H85-Y87 PolarHBondContact O-N 2.88Å; H85-V88 WeakPolarHBondContact O-CB 3.3Å; H85-V88 PolarHBondContact O-N 2.98Å; H85-V88 VanDerWaalsContact O-N 3.11Å; H85-E89 IonicContact NE2-OE1 3.21Å; H85-E89 WeakPolarHBondContact O-CG 3.47Å; H85-E89 PolarHBondContact O-N 3.41Å
86R95.9Very high96Very high74 Ų7450.2 Ų50.228%0.27926%0.257SS..Hα-helixtrans-58.3-44.3177.1179.857.565938.1111.9E82 I83 V88 E89 L90 F117 T126E82-R86 WeakPolarHBondContact O-CB 3.13Å; E82-R86 PolarHBondContact O-N 3.45Å; I83-R86 PolarHBondContact O-N 2.94Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 3.29Å; R86-E89 IonicContact NE-OE2 2.88Å; R86-E89 PolarHBondContact O-N 3.3Å; R86-L90 HydrophobicContact CG-CD1 4.46Å; R86-L90 WeakPolarHBondContact O-CG 3.39Å; R86-L90 PolarHBondContact O-N 2.77Å; R86-F117 HydrophobicContact CB-CE1 4.41Å; R86-F117 HydrophobicContact CB-CE2 4.36Å; R86-F117 HydrophobicContact CB-CZ 3.83Å; R86-F117 HydrophobicContact CG-CD2 4.41Å; R86-F117 HydrophobicContact CG-CE1 4.36Å; R86-F117 HydrophobicContact CG-CE2 3.62Å; R86-F117 HydrophobicContact CG-CZ 3.6Å; R86-T126 PolarHBondContact NH1-O 3.11Å
87Y97Very high95.8Very high2 Ų250.7 Ų50.71%0.00827%0.267CS..Hα-helixtrans-61.6-40.7176.4179.5-123.5000112L5 L7 F67 I83 I84 H85 E89 L90 L91 A110 V113 L114 F117L5-Y87 HydrophobicContact CD2-CD1 4.28Å; L5-Y87 HydrophobicContact CD2-CE1 4.32Å; L7-Y87 HydrophobicContact CD2-CE1 4.43Å; F67-Y87 HydrophobicContact CD1-CD1 4.27Å; F67-Y87 AromaticContact CE1-CD1 3.86Å; F67-Y87 HydrophobicContact CE1-CD1 3.86Å; F67-Y87 HydrophobicContact CE1-CE1 4.01Å; I83-Y87 PolarHBondContact O-N 3.3Å; I84-Y87 PolarHBondContact O-N 3.4Å; H85-Y87 VanDerWaalsContact C-N 3.32Å; H85-Y87 PolarHBondContact O-N 2.88Å; Y87-E89 VanDerWaalsContact C-N 3.34Å; Y87-E89 PolarHBondContact O-N 3.42Å; Y87-L90 PolarHBondContact O-N 3.43Å; Y87-L91 HydrophobicContact CD1-CD1 4.03Å; Y87-L91 HydrophobicContact CD2-CG 4.4Å; Y87-L91 HydrophobicContact CE1-CD1 3.61Å; Y87-L91 HydrophobicContact CE1-CG 4.34Å; Y87-L91 HydrophobicContact CE2-CD1 4.18Å; Y87-L91 HydrophobicContact CE2-CD2 4.15Å; Y87-L91 HydrophobicContact CE2-CG 4.01Å; Y87-L91 HydrophobicContact CG-CD1 4.49Å; Y87-L91 WeakPolarHBondContact O-CG 3.44Å; Y87-L91 PolarHBondContact O-N 3.48Å; Y87-A110 PolarHBondContact OH-O 3.01Å; Y87-V113 HydrophobicContact CD2-CG1 4.4Å; Y87-V113 HydrophobicContact CE2-CB 4.37Å; Y87-V113 HydrophobicContact CE2-CG1 4.01Å; Y87-L114 HydrophobicContact CD1-CD1 4.43Å; Y87-L114 HydrophobicContact CD2-CD1 3.94Å; Y87-L114 HydrophobicContact CE1-CD1 4.26Å; Y87-L114 HydrophobicContact CE2-CB 3.64Å; Y87-L114 HydrophobicContact CE2-CD1 3.77Å; Y87-L114 HydrophobicContact CE2-CG 4.3Å; Y87-L114 HydrophobicContact CG-CD1 4.27Å; Y87-F117 HydrophobicContact CD2-CD1 4.22Å; Y87-F117 HydrophobicContact CG-CD1 4.49Å
88V96.4Very high95.7Very high21 Ų2150 Ų5013%0.12727%0.266CS..Hα-helixtrans-63.6-39.2174.5174.20000111.8Y62 F67 I84 H85 R86 L91 D92Y62-V88 HydrophobicContact CD1-CG1 4.09Å; Y62-V88 HydrophobicContact CD2-CG2 3.83Å; Y62-V88 HydrophobicContact CE1-CG1 4.23Å; Y62-V88 HydrophobicContact CE2-CG2 3.76Å; Y62-V88 HydrophobicContact CG-CG1 4.31Å; Y62-V88 HydrophobicContact CG-CG2 4.24Å; F67-V88 HydrophobicContact CD1-CG2 4.17Å; F67-V88 HydrophobicContact CD2-CG2 4.38Å; F67-V88 HydrophobicContact CE1-CG2 3.64Å; F67-V88 HydrophobicContact CE2-CG2 3.9Å; F67-V88 HydrophobicContact CZ-CG2 3.52Å; I84-V88 WeakPolarHBondContact O-CG2 3.37Å; I84-V88 PolarHBondContact O-N 3.19Å; I84-V88 VanDerWaalsContact O-N 3.15Å; H85-V88 WeakPolarHBondContact O-CB 3.3Å; H85-V88 PolarHBondContact O-N 2.98Å; H85-V88 VanDerWaalsContact O-N 3.11Å; R86-V88 VanDerWaalsContact C-N 3.32Å; R86-V88 PolarHBondContact O-N 3.29Å; V88-L91 PolarHBondContact O-N 2.94Å; V88-D92 WeakPolarHBondContact O-CB 3.49Å; V88-D92 PolarHBondContact O-N 3.13Å
89E95.8Very high95.6Very high53 Ų5347.5 Ų47.525%0.24826%0.258CS..Hα-helixtrans-66.7-36.5175.7-66.1176.8118.500112.7H85 R86 Y87 D92 K93 K128H85-E89 IonicContact NE2-OE1 3.21Å; H85-E89 WeakPolarHBondContact O-CG 3.47Å; H85-E89 PolarHBondContact O-N 3.41Å; R86-E89 IonicContact NE-OE2 2.88Å; R86-E89 PolarHBondContact O-N 3.3Å; Y87-E89 VanDerWaalsContact C-N 3.34Å; Y87-E89 PolarHBondContact O-N 3.42Å; E89-D92 PolarHBondContact O-N 3.22Å; E89-K93 WeakPolarHBondContact O-CG 3.47Å; E89-K93 PolarHBondContact O-N 3.15Å; E89-K128 IonicContact OE1-NZ 3.74Å; E89-K128 PolarHBondContact OE1-NZ 3.2Å; E89-K128 WeakPolarHBondContact OE2-CE 3.48Å; E89-K128 IonicContact OE2-NZ 2.86Å; E89-K128 PolarHBondContact OE2-NZ 3.03Å
90L96.1Very high95.5Very high2 Ų244.2 Ų44.21%0.0124%0.239CC..Hα-helixtrans-64-46.7173.5-71.3172.2000110.8R86 Y87 D92 K93 Y94 V113 F117 K128 A131 L132R86-L90 HydrophobicContact CG-CD1 4.46Å; R86-L90 WeakPolarHBondContact O-CG 3.39Å; R86-L90 PolarHBondContact O-N 2.77Å; Y87-L90 PolarHBondContact O-N 3.43Å; L90-D92 VanDerWaalsContact C-N 3.32Å; L90-D92 PolarHBondContact O-N 3.02Å; L90-K93 PolarHBondContact O-N 3.33Å; L90-Y94 VanDerWaalsContact O-CB 3.27Å; L90-Y94 WeakPolarHBondContact O-CB 3.46Å; L90-Y94 PolarHBondContact O-N 3.06Å; L90-V113 HydrophobicContact CB-CG1 3.87Å; L90-F117 HydrophobicContact CD1-CB 3.77Å; L90-F117 HydrophobicContact CD1-CD1 4.24Å; L90-F117 HydrophobicContact CD1-CD2 3.85Å; L90-F117 HydrophobicContact CD1-CG 3.68Å; L90-K128 HydrophobicContact CD2-CB 4.4Å; L90-A131 HydrophobicContact CD2-CB 4.08Å; L90-L132 HydrophobicContact CD2-CD1 4.41Å; L90-L132 HydrophobicContact CD2-CD2 4.33Å; L90-L132 HydrophobicContact CD2-CG 4Å
91L96.4Very high95.4Very high1 Ų148.1 Ų48.11%0.00526%0.259CS..Hα-helixtrans-59.7-42.7175-70.3172000111.8F67 Y87 V88 Y94 F95 V98 I103 A110 V113F67-L91 HydrophobicContact CE1-CD1 4.48Å; Y87-L91 HydrophobicContact CD1-CD1 4.03Å; Y87-L91 HydrophobicContact CD2-CG 4.4Å; Y87-L91 HydrophobicContact CE1-CD1 3.61Å; Y87-L91 HydrophobicContact CE1-CG 4.34Å; Y87-L91 HydrophobicContact CE2-CD1 4.18Å; Y87-L91 HydrophobicContact CE2-CD2 4.15Å; Y87-L91 HydrophobicContact CE2-CG 4.01Å; Y87-L91 HydrophobicContact CG-CD1 4.49Å; Y87-L91 WeakPolarHBondContact O-CG 3.44Å; Y87-L91 PolarHBondContact O-N 3.48Å; V88-L91 PolarHBondContact O-N 2.94Å; L91-Y94 PolarHBondContact O-N 2.81Å; L91-F95 HydrophobicContact CD2-CD2 4.3Å; L91-F95 HydrophobicContact CD2-CE2 3.86Å; L91-F95 WeakPolarHBondContact O-CD2 3.46Å; L91-F95 PolarHBondContact O-N 3.29Å; L91-V98 HydrophobicContact CB-CB 4.48Å; L91-V98 HydrophobicContact CB-CG1 4.27Å; L91-V98 HydrophobicContact CB-CG2 4.25Å; L91-I103 HydrophobicContact CD1-CD1 4.17Å; L91-A110 HydrophobicContact CD2-CB 4.16Å; L91-V113 HydrophobicContact CD2-CB 4.23Å; L91-V113 HydrophobicContact CD2-CG1 4.13Å; L91-V113 HydrophobicContact CD2-CG2 4.43Å; L91-V113 HydrophobicContact CG-CG1 4.5Å
92D96Very high95.3Very high76 Ų7649.1 Ų49.141%0.40627%0.265SS..Hα-helixtrans-64-40.8-179.6-170.458.1000112.6V88 E89 L90 G96 S97 V98V88-D92 WeakPolarHBondContact O-CB 3.49Å; V88-D92 PolarHBondContact O-N 3.13Å; E89-D92 PolarHBondContact O-N 3.22Å; L90-D92 VanDerWaalsContact C-N 3.32Å; L90-D92 PolarHBondContact O-N 3.02Å; D92-G96 VanDerWaalsContact O-CA 3.28Å; D92-G96 WeakPolarHBondContact O-CA 3.41Å; D92-G96 PolarHBondContact O-N 3.17Å; D92-S97 PolarHBondContact O-N 3.32Å; D92-S97 VanDerWaalsContact OD1-CA 3.25Å; D92-S97 WeakPolarHBondContact OD1-CA 3.33Å; D92-V98 HydrophobicContact CB-CG1 3.91Å; D92-V98 PolarHBondContact OD1-N 2.93Å; D92-V98 VanDerWaalsContact OD1-N 3.09Å
93K94.8Very high95.2Very high102 Ų10244.1 Ų44.144%0.44324%0.242SC..Hα-helixtrans-69.3-42174.8-76.1-172168.8-154.60112.6E89 L90 E129 L132E89-K93 WeakPolarHBondContact O-CG 3.47Å; E89-K93 PolarHBondContact O-N 3.15Å; L90-K93 PolarHBondContact O-N 3.33Å; K93-E129 IonicContact NZ-OE1 3.93Å; K93-E129 PolarHBondContact NZ-OE1 2.88Å; K93-E129 IonicContact NZ-OE2 3.61Å; K93-L132 HydrophobicContact CB-CD1 3.61Å; K93-L132 HydrophobicContact CB-CD2 4.17Å; K93-L132 HydrophobicContact CD-CD1 3.35Å; K93-L132 HydrophobicContact CG-CD1 4.14Å
94Y95.2Very high95.2Very high37 Ų3745.3 Ų45.315%0.14525%0.248CC..Hα-helixtrans-68-46.4-178.2179.2-99.9000112.5L90 L91 K109 V113 I135 D139L90-Y94 VanDerWaalsContact O-CB 3.27Å; L90-Y94 WeakPolarHBondContact O-CB 3.46Å; L90-Y94 PolarHBondContact O-N 3.06Å; L91-Y94 PolarHBondContact O-N 2.81Å; Y94-K109 HydrophobicContact CE1-CB 3.88Å; Y94-K109 HydrophobicContact CE1-CD 4.04Å; Y94-K109 HydrophobicContact CE1-CG 4.41Å; Y94-K109 WeakPolarHBondContact OH-CD 3.27Å; Y94-K109 PolarHBondContact OH-NZ 3Å; Y94-V113 HydrophobicContact CD1-CG2 3.81Å; Y94-V113 HydrophobicContact CD2-CG2 4.3Å; Y94-V113 HydrophobicContact CE1-CG2 4.2Å; Y94-V113 HydrophobicContact CG-CG2 3.86Å; Y94-I135 HydrophobicContact CD2-CG2 3.68Å; Y94-I135 HydrophobicContact CE2-CG2 3.33Å; Y94-D139 WeakPolarHBondContact CE2-OD2 3.3Å; Y94-D139 PolarHBondContact OH-OD2 3.04Å
95F94.4Very high95.1Very high46 Ų4651.5 Ų51.520%0.20227%0.274CS..Hα-helixtrans-84.7-21.3179.6-73-71.5000113.8L91 V98 D102 H106 K109L91-F95 HydrophobicContact CD2-CD2 4.3Å; L91-F95 HydrophobicContact CD2-CE2 3.86Å; L91-F95 WeakPolarHBondContact O-CD2 3.46Å; L91-F95 PolarHBondContact O-N 3.29Å; F95-V98 HydrophobicContact CB-CB 4.11Å; F95-V98 HydrophobicContact CB-CG2 4.21Å; F95-V98 HydrophobicContact CD2-CB 4.37Å; F95-V98 HydrophobicContact CD2-CG2 3.73Å; F95-V98 HydrophobicContact CG-CG2 4.23Å; F95-D102 HydrophobicContact CD1-CB 3.96Å; F95-D102 HydrophobicContact CE1-CB 4.22Å; F95-D102 HydrophobicContact CG-CB 4.15Å; F95-H106 HydrophobicContact CE1-CB 3.82Å; F95-H106 HydrophobicContact CZ-CB 4.03Å; F95-K109 HydrophobicContact CZ-CB 4.08Å
96G91.7Very high95Very high53 Ų5352.9 Ų52.955%0.54628%0.281SS..THydrogen-bonded Turntrans71.582.4-174.800000112.6D92D92-G96 VanDerWaalsContact O-CA 3.28Å; D92-G96 WeakPolarHBondContact O-CA 3.41Å; D92-G96 PolarHBondContact O-N 3.17Å
97S91.4Very high94.9Very high100 Ų10054.5 Ų54.570%0.69929%0.29SS*.SBendtrans71.365.7-170.7-53.10000113D92 C99D92-S97 PolarHBondContact O-N 3.32Å; D92-S97 VanDerWaalsContact OD1-CA 3.25Å; D92-S97 WeakPolarHBondContact OD1-CA 3.33Å; S97-C99 PolarHBondContact O-N 3.08Å
98V94Very high94.8Very high36 Ų3657.3 Ų57.322%0.21830%0.303CS..  trans-61134.5-173.467.30000112.5L91 D92 F95 D102 I103L91-V98 HydrophobicContact CB-CB 4.48Å; L91-V98 HydrophobicContact CB-CG1 4.27Å; L91-V98 HydrophobicContact CB-CG2 4.25Å; D92-V98 HydrophobicContact CB-CG1 3.91Å; D92-V98 PolarHBondContact OD1-N 2.93Å; D92-V98 VanDerWaalsContact OD1-N 3.09Å; F95-V98 HydrophobicContact CB-CB 4.11Å; F95-V98 HydrophobicContact CB-CG2 4.21Å; F95-V98 HydrophobicContact CD2-CB 4.37Å; F95-V98 HydrophobicContact CD2-CG2 3.73Å; F95-V98 HydrophobicContact CG-CG2 4.23Å; V98-D102 HydrophobicContact CG2-CB 4.47Å; V98-I103 HydrophobicContact CG2-CD1 4.43Å; V98-I103 HydrophobicContact CG2-CG1 4.24Å
99C94Very high94.7Very high58 Ų5859.2 Ų59.239%0.39231%0.31SS..  trans-121168.4170.378.30000112.2S97 L101 D102S97-C99 PolarHBondContact O-N 3.08Å; C99-L101 PolarHBondContact O-N 3.43Å; C99-L101 VanDerWaalsContact SG-CB 3.58Å; C99-L101 PolarHBondContact SG-N 2.98Å; C99-D102 PolarHBondContact N-OD2 3.49Å; C99-D102 PolarHBondContact O-N 2.9Å; C99-D102 VanDerWaalsContact SG-CG 3.52Å; C99-D102 PolarHBondContact SG-OD2 3.03Å
100E93.9Very high94.8Very high35 Ų3556.7 Ų56.716%0.16430%0.298CS..Hα-helixtrans-58.1-31.1176.9169.8172.6-177.600112.2S9 R15 S64 L65 I103 I104S9-E100 WeakPolarHBondContact CB-OE1 3.37Å; R15-E100 IonicContact CZ-OE1 3.81Å; R15-E100 IonicContact NE-OE1 2.6Å; R15-E100 PolarHBondContact NE-OE1 2.94Å; R15-E100 IonicContact NH2-OE1 3.63Å; R15-E100 PolarHBondContact NH2-OE1 2.82Å; S64-E100 VanDerWaalsContact CB-OE2 3.28Å; S64-E100 WeakPolarHBondContact CB-OE2 3.32Å; S64-E100 PolarHBondContact OG-OE2 2.85Å; L65-E100 HydrophobicContact CD1-CB 3.99Å; L65-E100 HydrophobicContact CD1-CG 4.36Å; L65-E100 HydrophobicContact CD2-CB 4.22Å; L65-E100 HydrophobicContact CD2-CG 3.8Å; L65-E100 HydrophobicContact CG-CB 3.96Å; L65-E100 HydrophobicContact CG-CG 4.12Å; E100-I103 PolarHBondContact O-N 3.46Å; E100-I104 HydrophobicContact CG-CD1 3.87Å; E100-I104 HydrophobicContact CG-CG1 4.41Å; E100-I104 VanDerWaalsContact O-CG1 3.28Å; E100-I104 WeakPolarHBondContact O-CG1 3.34Å; E100-I104 PolarHBondContact O-N 3.28Å; E100-I104 VanDerWaalsContact O-N 3.16Å
101L95.2Very high94.8Very high91 Ų9159.1 Ų59.148%0.47631%0.308SS..Hα-helixtrans-70-35.3-177.1-164.761.6000111.9C99 I103 I104 F105C99-L101 PolarHBondContact O-N 3.43Å; C99-L101 VanDerWaalsContact SG-CB 3.58Å; C99-L101 PolarHBondContact SG-N 2.98Å; L101-I103 VanDerWaalsContact C-N 3.35Å; L101-I103 PolarHBondContact O-N 3.17Å; L101-I104 HydrophobicContact CD1-CD1 4.38Å; L101-I104 WeakPolarHBondContact O-CB 3.47Å; L101-I104 PolarHBondContact O-N 3.12Å; L101-I104 VanDerWaalsContact O-N 3.12Å; L101-F105 HydrophobicContact CD1-CD2 3.87Å; L101-F105 HydrophobicContact CD1-CE2 3.38Å; L101-F105 HydrophobicContact CD1-CZ 4.2Å; L101-F105 HydrophobicContact CD2-CD2 4.43Å; L101-F105 HydrophobicContact CD2-CE2 3.89Å; L101-F105 HydrophobicContact CG-CD2 3.64Å; L101-F105 HydrophobicContact CG-CE2 3.42Å; L101-F105 VanDerWaalsContact CG-CE2 3.42Å; L101-F105 WeakPolarHBondContact O-CD2 3.42Å; L101-F105 PolarHBondContact O-N 3.27Å
102D95.7Very high94.7Very high47 Ų4763.6 Ų63.625%0.25133%0.325SS..Hα-helixtrans-63.5-43.1176.7-53.8-39.9000110.7F95 V98 C99 I104 F105 H106F95-D102 HydrophobicContact CD1-CB 3.96Å; F95-D102 HydrophobicContact CE1-CB 4.22Å; F95-D102 HydrophobicContact CG-CB 4.15Å; V98-D102 HydrophobicContact CG2-CB 4.47Å; C99-D102 PolarHBondContact N-OD2 3.49Å; C99-D102 PolarHBondContact O-N 2.9Å; C99-D102 VanDerWaalsContact SG-CG 3.52Å; C99-D102 PolarHBondContact SG-OD2 3.03Å; D102-I104 VanDerWaalsContact C-N 3.26Å; D102-I104 PolarHBondContact O-N 3.04Å; D102-F105 PolarHBondContact O-N 2.85Å; D102-H106 WeakPolarHBondContact O-CA 3.37Å; D102-H106 WeakPolarHBondContact O-CB 3.31Å; D102-H106 PolarHBondContact O-N 3.03Å
103I95.6Very high94.7Very high4 Ų460 Ų602%0.02131%0.306CS..Hα-helixtrans-65.9-30.3175.7-58.2178.2000111.5L7 R15 L65 L91 V98 E100 L101 F107 A110L7-I103 HydrophobicContact CD2-CD1 4.37Å; R15-I103 HydrophobicContact CB-CG2 4.21Å; L65-I103 HydrophobicContact CD1-CD1 3.74Å; L91-I103 HydrophobicContact CD1-CD1 4.17Å; V98-I103 HydrophobicContact CG2-CD1 4.43Å; V98-I103 HydrophobicContact CG2-CG1 4.24Å; E100-I103 PolarHBondContact O-N 3.46Å; L101-I103 VanDerWaalsContact C-N 3.35Å; L101-I103 PolarHBondContact O-N 3.17Å; I103-F107 VanDerWaalsContact O-CA 3.22Å; I103-F107 WeakPolarHBondContact O-CA 3.38Å; I103-F107 VanDerWaalsContact O-CB 3.32Å; I103-F107 WeakPolarHBondContact O-CB 3.36Å; I103-F107 PolarHBondContact O-N 3.36Å; I103-A110 HydrophobicContact CG2-CB 4.28Å
104I95.6Very high94.8Very high59 Ų5955.1 Ų55.130%0.30329%0.285SS..Hα-helixtrans-71.7-45.5176.9-69.2165.4000111.2E100 L101 D102E100-I104 HydrophobicContact CG-CD1 3.87Å; E100-I104 HydrophobicContact CG-CG1 4.41Å; E100-I104 VanDerWaalsContact O-CG1 3.28Å; E100-I104 WeakPolarHBondContact O-CG1 3.34Å; E100-I104 PolarHBondContact O-N 3.28Å; E100-I104 VanDerWaalsContact O-N 3.16Å; L101-I104 HydrophobicContact CD1-CD1 4.38Å; L101-I104 WeakPolarHBondContact O-CB 3.47Å; L101-I104 PolarHBondContact O-N 3.12Å; L101-I104 VanDerWaalsContact O-N 3.12Å; D102-I104 VanDerWaalsContact C-N 3.26Å; D102-I104 PolarHBondContact O-N 3.04Å
105F95.2Very high94.8Very high134 Ų13456.1 Ų56.159%0.58829%0.292SS*.Hα-helixtrans-80.2-30.7-176.4-76.2-60.5000113.2L101 D102L101-F105 HydrophobicContact CD1-CD2 3.87Å; L101-F105 HydrophobicContact CD1-CE2 3.38Å; L101-F105 HydrophobicContact CD1-CZ 4.2Å; L101-F105 HydrophobicContact CD2-CD2 4.43Å; L101-F105 HydrophobicContact CD2-CE2 3.89Å; L101-F105 HydrophobicContact CG-CD2 3.64Å; L101-F105 HydrophobicContact CG-CE2 3.42Å; L101-F105 VanDerWaalsContact CG-CE2 3.42Å; L101-F105 WeakPolarHBondContact O-CD2 3.42Å; L101-F105 PolarHBondContact O-N 3.27Å; D102-F105 PolarHBondContact O-N 2.85Å
106H94.2Very high94.8Very high79 Ų7955.2 Ų55.237%0.36629%0.289SS..  trans-123.251.5-177.4-58.1-59.9000110.7F95 D102 E108 K109 A110F95-H106 HydrophobicContact CE1-CB 3.82Å; F95-H106 HydrophobicContact CZ-CB 4.03Å; D102-H106 WeakPolarHBondContact O-CA 3.37Å; D102-H106 WeakPolarHBondContact O-CB 3.31Å; D102-H106 PolarHBondContact O-N 3.03Å; H106-E108 IonicContact ND1-OE1 2.73Å; H106-E108 PolarHBondContact O-N 2.72Å; H106-K109 HydrophobicContact CB-CB 4.17Å; H106-K109 HydrophobicContact CB-CD 4.1Å; H106-K109 HydrophobicContact CB-CG 4.31Å; H106-K109 PolarHBondContact O-N 2.94Å; H106-A110 PolarHBondContact O-N 3.15Å; H106-A110 VanDerWaalsContact O-N 3.14Å
107F94.9Very high95Very high109 Ų10952.9 Ų52.948%0.47826%0.264SS..Hα-helixtrans-64.2-34.3-177.571.6-89.7000111I103 A110 Y111I103-F107 VanDerWaalsContact O-CA 3.22Å; I103-F107 WeakPolarHBondContact O-CA 3.38Å; I103-F107 VanDerWaalsContact O-CB 3.32Å; I103-F107 WeakPolarHBondContact O-CB 3.36Å; I103-F107 PolarHBondContact O-N 3.36Å; F107-A110 WeakPolarHBondContact O-CB 3.09Å; F107-A110 PolarHBondContact O-N 3.12Å; F107-Y111 HydrophobicContact CD2-CD2 4.14Å; F107-Y111 HydrophobicContact CD2-CE2 4.05Å; F107-Y111 WeakPolarHBondContact O-CD2 3.22Å; F107-Y111 PolarHBondContact O-N 3.41Å
108E94.8Very high95.2Very high60 Ų6048.4 Ų48.428%0.2823%0.232SC..Hα-helixtrans-59.1-46.717565.2-70.3167.700111.6H106 A110 Y111 Y112H106-E108 IonicContact ND1-OE1 2.73Å; H106-E108 PolarHBondContact O-N 2.72Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 2.96Å; E108-Y111 WeakPolarHBondContact O-CA 3.38Å; E108-Y111 WeakPolarHBondContact O-CB 3.15Å; E108-Y111 PolarHBondContact O-N 2.86Å; E108-Y112 PolarHBondContact O-N 2.89Å
109K94.4Very high95.2Very high62 Ų6252.1 Ų52.127%0.2725%0.25SC..Hα-helixtrans-63.1-38.7175.8-67-176.6160.6-126.10111.6Y94 F95 H106 Y111 Y112 V113 D139Y94-K109 HydrophobicContact CE1-CB 3.88Å; Y94-K109 HydrophobicContact CE1-CD 4.04Å; Y94-K109 HydrophobicContact CE1-CG 4.41Å; Y94-K109 WeakPolarHBondContact OH-CD 3.27Å; Y94-K109 PolarHBondContact OH-NZ 3Å; F95-K109 HydrophobicContact CZ-CB 4.08Å; H106-K109 HydrophobicContact CB-CB 4.17Å; H106-K109 HydrophobicContact CB-CD 4.1Å; H106-K109 HydrophobicContact CB-CG 4.31Å; H106-K109 PolarHBondContact O-N 2.94Å; K109-Y111 VanDerWaalsContact C-N 3.27Å; K109-Y111 PolarHBondContact O-N 2.83Å; K109-Y112 PolarHBondContact O-N 3.42Å; K109-Y112 VanDerWaalsContact O-N 3.12Å; K109-V113 VanDerWaalsContact O-CG2 3.28Å; K109-V113 WeakPolarHBondContact O-CG2 3.48Å; K109-V113 PolarHBondContact O-N 2.99Å; K109-D139 IonicContact NZ-OD2 2.63Å
110A96.6Very high95.3Very high0 Ų051.5 Ų51.50%025%0.254CS..Hα-helixtrans-62.7-33.4174.100000112.6L16 Y87 L91 I103 H106 F107 E108 L114L16-A110 HydrophobicContact CD1-CB 4.09Å; Y87-A110 PolarHBondContact OH-O 3.01Å; L91-A110 HydrophobicContact CD2-CB 4.16Å; I103-A110 HydrophobicContact CG2-CB 4.28Å; H106-A110 PolarHBondContact O-N 3.15Å; H106-A110 VanDerWaalsContact O-N 3.14Å; F107-A110 WeakPolarHBondContact O-CB 3.09Å; F107-A110 PolarHBondContact O-N 3.12Å; E108-A110 VanDerWaalsContact C-N 3.31Å; E108-A110 PolarHBondContact O-N 2.96Å; A110-L114 WeakPolarHBondContact O-CB 3.43Å; A110-L114 PolarHBondContact O-N 3.41Å; A110-L114 VanDerWaalsContact O-N 3.12Å
111Y96.8Very high95.3Very high53 Ų5350 Ų5021%0.20825%0.247CC..Hα-helixtrans-69.7-39.4170.6-80.9-77.9000112.3L16 Q17 K18 F107 E108 K109 L114 D115L16-Y111 HydrophobicContact CD1-CD1 4.23Å; L16-Y111 HydrophobicContact CD1-CD2 4.26Å; L16-Y111 HydrophobicContact CD1-CE1 4.22Å; L16-Y111 HydrophobicContact CD1-CE2 4.23Å; L16-Y111 HydrophobicContact CD1-CG 4.25Å; L16-Y111 HydrophobicContact CD2-CE1 4.05Å; L16-Y111 HydrophobicContact CG-CD1 4.31Å; L16-Y111 HydrophobicContact CG-CE1 3.79Å; L16-Y111 HydrophobicContact CG-CE2 4.01Å; Q17-Y111 PolarHBondContact N-OH 2.9Å; Q17-Y111 PolarHBondContact O-OH 3.18Å; K18-Y111 HydrophobicContact CD-CD1 4.26Å; K18-Y111 HydrophobicContact CD-CE1 4.26Å; F107-Y111 HydrophobicContact CD2-CD2 4.14Å; F107-Y111 HydrophobicContact CD2-CE2 4.05Å; F107-Y111 WeakPolarHBondContact O-CD2 3.22Å; F107-Y111 PolarHBondContact O-N 3.41Å; E108-Y111 WeakPolarHBondContact O-CA 3.38Å; E108-Y111 WeakPolarHBondContact O-CB 3.15Å; E108-Y111 PolarHBondContact O-N 2.86Å; K109-Y111 VanDerWaalsContact C-N 3.27Å; K109-Y111 PolarHBondContact O-N 2.83Å; Y111-L114 WeakPolarHBondContact O-CB 3.5Å; Y111-L114 PolarHBondContact O-N 3.42Å; Y111-L114 VanDerWaalsContact O-N 3.17Å; Y111-D115 WeakPolarHBondContact O-CB 3.37Å; Y111-D115 VanDerWaalsContact O-CG 3.26Å; Y111-D115 PolarHBondContact O-N 3.01Å
112Y94.8Very high95.3Very high94 Ų9450.7 Ų50.737%0.36925%0.248SC..Hα-helixtrans-61.9-47.2176.4-57.4-26.2000111.6E108 K109 L114 D115 E116E108-Y112 PolarHBondContact O-N 2.89Å; K109-Y112 PolarHBondContact O-N 3.42Å; K109-Y112 VanDerWaalsContact O-N 3.12Å; Y112-L114 PolarHBondContact O-N 2.88Å; Y112-D115 PolarHBondContact O-N 3Å; Y112-D115 VanDerWaalsContact O-N 3.15Å; Y112-E116 PolarHBondContact O-N 3.26Å
113V95.9Very high95.3Very high0 Ų050.9 Ų50.90%025%0.251CS..Hα-helixtrans-58.5-38.1174178.80000111.3Y87 L90 L91 Y94 K109 F117 I135Y87-V113 HydrophobicContact CD2-CG1 4.4Å; Y87-V113 HydrophobicContact CE2-CB 4.37Å; Y87-V113 HydrophobicContact CE2-CG1 4.01Å; L90-V113 HydrophobicContact CB-CG1 3.87Å; L91-V113 HydrophobicContact CD2-CB 4.23Å; L91-V113 HydrophobicContact CD2-CG1 4.13Å; L91-V113 HydrophobicContact CD2-CG2 4.43Å; L91-V113 HydrophobicContact CG-CG1 4.5Å; Y94-V113 HydrophobicContact CD1-CG2 3.81Å; Y94-V113 HydrophobicContact CD2-CG2 4.3Å; Y94-V113 HydrophobicContact CE1-CG2 4.2Å; Y94-V113 HydrophobicContact CG-CG2 3.86Å; K109-V113 VanDerWaalsContact O-CG2 3.28Å; K109-V113 WeakPolarHBondContact O-CG2 3.48Å; K109-V113 PolarHBondContact O-N 2.99Å; V113-F117 WeakPolarHBondContact O-CB 3.18Å; V113-F117 PolarHBondContact O-N 3.38Å; V113-I135 HydrophobicContact CB-CD1 4.14Å; V113-I135 HydrophobicContact CG1-CD1 4.07Å; V113-I135 HydrophobicContact CG2-CD1 4.03Å
114L96.6Very high95.3Very high0 Ų055.5 Ų55.50%027%0.272CS..Hα-helixtrans-69.3-40.1178.7-177.361.1000112.2L5 L16 K18 Y87 A110 Y111 Y112 F117 M118L5-L114 HydrophobicContact CD2-CD1 3.68Å; L5-L114 HydrophobicContact CD2-CD2 4.09Å; L16-L114 HydrophobicContact CD1-CD2 4.4Å; L16-L114 HydrophobicContact CD2-CD2 3.75Å; K18-L114 HydrophobicContact CB-CD2 3.67Å; K18-L114 HydrophobicContact CD-CD2 4.33Å; K18-L114 HydrophobicContact CG-CD2 3.95Å; Y87-L114 HydrophobicContact CD1-CD1 4.43Å; Y87-L114 HydrophobicContact CD2-CD1 3.94Å; Y87-L114 HydrophobicContact CE1-CD1 4.26Å; Y87-L114 HydrophobicContact CE2-CB 3.64Å; Y87-L114 HydrophobicContact CE2-CD1 3.77Å; Y87-L114 HydrophobicContact CE2-CG 4.3Å; Y87-L114 HydrophobicContact CG-CD1 4.27Å; A110-L114 WeakPolarHBondContact O-CB 3.43Å; A110-L114 PolarHBondContact O-N 3.41Å; A110-L114 VanDerWaalsContact O-N 3.12Å; Y111-L114 WeakPolarHBondContact O-CB 3.5Å; Y111-L114 PolarHBondContact O-N 3.42Å; Y111-L114 VanDerWaalsContact O-N 3.17Å; Y112-L114 PolarHBondContact O-N 2.88Å; L114-F117 PolarHBondContact O-N 2.86Å; L114-M118 HydrophobicContact CD1-CE 3.32Å; L114-M118 PolarHBondContact O-N 3.15Å
115D95.5Very high95.1Very high58 Ų5855 Ų5531%0.3127%0.269SS..Hα-helixtrans-75.5-29.8-175.4-73.6-1.7000111.8K18 Y111 Y112 F117K18-D115 WeakPolarHBondContact CE-OD1 3.45Å; K18-D115 IonicContact NZ-OD1 2.8Å; K18-D115 PolarHBondContact NZ-OD1 2.83Å; K18-D115 IonicContact NZ-OD2 2.7Å; K18-D115 PolarHBondContact NZ-OD2 3.25Å; Y111-D115 WeakPolarHBondContact O-CB 3.37Å; Y111-D115 VanDerWaalsContact O-CG 3.26Å; Y111-D115 PolarHBondContact O-N 3.01Å; Y112-D115 PolarHBondContact O-N 3Å; Y112-D115 VanDerWaalsContact O-N 3.15Å; D115-F117 VanDerWaalsContact C-N 3.33Å
116E94.3Very high95Very high27 Ų2753.7 Ų53.713%0.12627%0.272CS..Hα-helixtrans-69.4-34.2169.4-164.258-132.700111.8Y112 A131 D134 I135 Q138Y112-E116 PolarHBondContact O-N 3.26Å; E116-A131 HydrophobicContact CG-CB 4.4Å; E116-D134 HydrophobicContact CG-CB 4.14Å; E116-I135 HydrophobicContact CB-CD1 4.14Å; E116-I135 HydrophobicContact CB-CG1 3.87Å; E116-I135 HydrophobicContact CG-CD1 4.43Å; E116-I135 HydrophobicContact CG-CG1 4Å; E116-Q138 PolarHBondContact OE2-NE2 3.26Å
117F95.9Very high94.8Very high5 Ų551.3 Ų51.32%0.02227%0.269CS..Hα-helixtrans-80.5-41.4-179.1177.5-131.9000113.3I83 R86 Y87 L90 V113 L114 D115 V123 Q124 E125I83-F117 HydrophobicContact CB-CZ 4.49Å; I83-F117 HydrophobicContact CG2-CE1 3.71Å; I83-F117 HydrophobicContact CG2-CZ 3.9Å; I83-F117 WeakPolarHBondContact O-CE1 3.31Å; R86-F117 HydrophobicContact CB-CE1 4.41Å; R86-F117 HydrophobicContact CB-CE2 4.36Å; R86-F117 HydrophobicContact CB-CZ 3.83Å; R86-F117 HydrophobicContact CG-CD2 4.41Å; R86-F117 HydrophobicContact CG-CE1 4.36Å; R86-F117 HydrophobicContact CG-CE2 3.62Å; R86-F117 HydrophobicContact CG-CZ 3.6Å; Y87-F117 HydrophobicContact CD2-CD1 4.22Å; Y87-F117 HydrophobicContact CG-CD1 4.49Å; L90-F117 HydrophobicContact CD1-CB 3.77Å; L90-F117 HydrophobicContact CD1-CD1 4.24Å; L90-F117 HydrophobicContact CD1-CD2 3.85Å; L90-F117 HydrophobicContact CD1-CG 3.68Å; V113-F117 WeakPolarHBondContact O-CB 3.18Å; V113-F117 PolarHBondContact O-N 3.38Å; L114-F117 PolarHBondContact O-N 2.86Å; D115-F117 VanDerWaalsContact C-N 3.33Å; F117-V123 HydrophobicContact CD2-CG1 4.36Å; F117-V123 HydrophobicContact CE2-CG1 3.78Å; F117-V123 HydrophobicContact CZ-CG1 4.39Å; F117-V123 HydrophobicContact CZ-CG2 4.33Å; F117-Q124 PolarHBondContact O-N 2.65Å; F117-E125 WeakPolarHBondContact CD2-O 3.12Å; F117-E125 WeakPolarHBondContact CE2-O 3.48Å; F117-E125 PolarHBondContact O-N 3.18Å
118M95.3Very high94.6Very high5 Ų548.7 Ų48.73%0.02526%0.257CS..EExtended strand (participates in β ladder)trans-136.1131.7-172.4-68.3-164.4-6400113M2 L5 I83 L114 E122 V123M2-M118 HydrophobicContact CE-CE 3.35Å; M2-M118 HydrophobicContact CE-SD 3.31Å; M2-M118 WeakPolarHBondContact CE-SD 3.26Å; M2-M118 HydrophobicContact SD-CE 4.3Å; M2-M118 HydrophobicContact SD-SD 4.49Å; L5-M118 HydrophobicContact CD2-CE 4.01Å; I83-M118 HydrophobicContact CG2-CE 4.32Å; I83-M118 HydrophobicContact CG2-SD 3.45Å; I83-M118 WeakPolarHBondContact CG2-SD 3.38Å; L114-M118 HydrophobicContact CD1-CE 3.32Å; L114-M118 PolarHBondContact O-N 3.15Å; M118-E122 WeakPolarHBondContact CA-O 3.17Å; M118-V123 HydrophobicContact CG-CG2 4.47Å
119L94.8Very high94.5Very high114 Ų11451 Ų5160%0.59727%0.268SS*.EExtended strand (participates in β ladder)trans-132135.6178.4-172.366.9000110.3G121 E122 Q124L119-G121 PolarHBondContact O-N 3.32Å; L119-G121 VanDerWaalsContact O-N 3.07Å; L119-E122 PolarHBondContact N-O 3.24Å; L119-E122 PolarHBondContact O-N 3.12Å; L119-E122 VanDerWaalsContact O-O 3.14Å; L119-Q124 HydrophobicContact CB-CB 4.4Å
120G94.5Very high94.5Very high46 Ų4650.4 Ų50.447%0.47427%0.272SS..THydrogen-bonded Turntrans62.517.7175.700000115.6
121G94.7Very high94.3Very high3 Ų350.5 Ų50.53%0.03127%0.273CS..THydrogen-bonded Turntrans87.29.2-177.900000114M2 L119M2-G121 WeakPolarHBondContact CB-O 3.25Å; M2-G121 PolarHBondContact N-O 3.48Å; M2-G121 WeakPolarHBondContact O-CA 3.38Å; L119-G121 PolarHBondContact O-N 3.32Å; L119-G121 VanDerWaalsContact O-N 3.07Å
122E95.1Very high94.2Very high105 Ų10548.7 Ų48.749%0.49127%0.266SS..EExtended strand (participates in β ladder)trans-124.8159.1176.9-60.7-61.9161.200110.3M1 M118 L119M1-E122 WeakPolarHBondContact CA-OE1 3.28Å; M1-E122 VanDerWaalsContact CB-OE1 3.27Å; M1-E122 WeakPolarHBondContact CB-OE1 3.35Å; M1-E122 WeakPolarHBondContact CG-OE1 3.45Å; M118-E122 WeakPolarHBondContact CA-O 3.17Å; L119-E122 PolarHBondContact N-O 3.24Å; L119-E122 PolarHBondContact O-N 3.12Å; L119-E122 VanDerWaalsContact O-O 3.14Å
123V95.5Very high94.2Very high51 Ų5148.4 Ų48.431%0.30927%0.271SS..EExtended strand (participates in β ladder)trans-75.8125.7176.5178.20000109.2I83 F117 M118 E125 T126I83-V123 HydrophobicContact CD1-CG2 3.52Å; I83-V123 HydrophobicContact CG1-CG2 3.71Å; I83-V123 HydrophobicContact CG2-CG2 4.3Å; F117-V123 HydrophobicContact CD2-CG1 4.36Å; F117-V123 HydrophobicContact CE2-CG1 3.78Å; F117-V123 HydrophobicContact CZ-CG1 4.39Å; F117-V123 HydrophobicContact CZ-CG2 4.33Å; M118-V123 HydrophobicContact CG-CG2 4.47Å; V123-E125 WeakPolarHBondContact CG1-O 3.21Å; V123-T126 HydrophobicContact CG1-CG2 4.06Å
124Q95.2Very high94Very high101 Ų10150.5 Ų50.547%0.47228%0.283SS..  trans-90.7-53.8175.8174.6176.2-39.700110.6F117 L119F117-Q124 PolarHBondContact O-N 2.65Å; L119-Q124 HydrophobicContact CB-CB 4.4Å
125E91.5Very high93.9Very high49 Ų4950.6 Ų50.623%0.22928%0.283CS..  trans-112130-175.8-173.747.5-106.300111.4F117 V123 G127 A131F117-E125 WeakPolarHBondContact CD2-O 3.12Å; F117-E125 WeakPolarHBondContact CE2-O 3.48Å; F117-E125 PolarHBondContact O-N 3.18Å; V123-E125 WeakPolarHBondContact CG1-O 3.21Å; E125-G127 PolarHBondContact OE1-N 3.33Å; E125-A131 HydrophobicContact CB-CB 4.32Å; E125-A131 HydrophobicContact CG-CB 3.84Å
126T92.5Very high93.8Very high107 Ų10751.7 Ų51.766%0.65629%0.289SS*.  trans-107.3-16.3-177.462.90000113R86 V123R86-T126 PolarHBondContact NH1-O 3.11Å; V123-T126 HydrophobicContact CG1-CG2 4.06Å
127G91.8Very high93.7Very high29 Ų2955.1 Ų55.130%0.29931%0.306SS..  trans-87.6120.8174.100000111.4E125 E129 S130 A131E125-G127 PolarHBondContact OE1-N 3.33Å; G127-E129 VanDerWaalsContact C-N 3.33Å; G127-E129 PolarHBondContact O-N 3.42Å; G127-S130 PolarHBondContact O-N 2.96Å; G127-A131 PolarHBondContact O-N 3.09Å
128K90.8Very high93.6Very high54 Ų5459 Ų5924%0.23532%0.324CS..Hα-helixtrans-58-45.9176.6-67.5178.4-178.1178.30112.2E89 L90 L132E89-K128 IonicContact OE1-NZ 3.74Å; E89-K128 PolarHBondContact OE1-NZ 3.2Å; E89-K128 WeakPolarHBondContact OE2-CE 3.48Å; E89-K128 IonicContact OE2-NZ 2.86Å; E89-K128 PolarHBondContact OE2-NZ 3.03Å; L90-K128 HydrophobicContact CD2-CB 4.4Å; K128-L132 WeakPolarHBondContact O-CD1 3.28Å; K128-L132 VanDerWaalsContact O-CG 3.31Å; K128-L132 WeakPolarHBondContact O-CG 3.29Å; K128-L132 PolarHBondContact O-N 3.16Å; K128-L132 VanDerWaalsContact O-N 3.16Å
129E92.6Very high93.5Very high107 Ų10760 Ų6050%0.533%0.329SS..Hα-helixtrans-69.2-35.1-177.5-51.2-49.7127.900111.7K93 G127 N133K93-E129 IonicContact NZ-OE1 3.93Å; K93-E129 PolarHBondContact NZ-OE1 2.88Å; K93-E129 IonicContact NZ-OE2 3.61Å; G127-E129 VanDerWaalsContact C-N 3.33Å; G127-E129 PolarHBondContact O-N 3.42Å; E129-N133 WeakPolarHBondContact O-CB 3.45Å; E129-N133 PolarHBondContact O-N 2.86Å; E129-N133 PolarHBondContact O-ND2 3.29Å; E129-N133 VanDerWaalsContact O-ND2 3.09Å
130S93.5Very high93.4Very high51 Ų5159.4 Ų59.436%0.35733%0.326SS..Hα-helixtrans-63.6-54.5177.6-158.60000110.3G127 L132 N133 D134G127-S130 PolarHBondContact O-N 2.96Å; S130-L132 VanDerWaalsContact C-N 3.27Å; S130-L132 PolarHBondContact O-N 3.04Å; S130-N133 PolarHBondContact O-N 3.42Å; S130-N133 VanDerWaalsContact O-N 3.13Å; S130-D134 PolarHBondContact O-N 3.15Å; S130-D134 VanDerWaalsContact O-OD2 3.07Å
131A93Very high93.3Very high2 Ų261.7 Ų61.72%0.01733%0.327CS..Hα-helixtrans-56-41.8179.400000112.3L90 E116 E125 G127 D134 I135L90-A131 HydrophobicContact CD2-CB 4.08Å; E116-A131 HydrophobicContact CG-CB 4.4Å; E125-A131 HydrophobicContact CB-CB 4.32Å; E125-A131 HydrophobicContact CG-CB 3.84Å; G127-A131 PolarHBondContact O-N 3.09Å; A131-D134 PolarHBondContact O-N 3.5Å; A131-I135 WeakPolarHBondContact O-CD1 3.48Å; A131-I135 WeakPolarHBondContact O-CG1 3.47Å; A131-I135 PolarHBondContact O-N 3.23Å
132L93.6Very high93.1Very high14 Ų1465.8 Ų65.87%0.07335%0.345CS..Hα-helixtrans-68.4-42.6178.6-71167.4000112.7L90 K93 K128 S130 D134 I135 D136L90-L132 HydrophobicContact CD2-CD1 4.41Å; L90-L132 HydrophobicContact CD2-CD2 4.33Å; L90-L132 HydrophobicContact CD2-CG 4Å; K93-L132 HydrophobicContact CB-CD1 3.61Å; K93-L132 HydrophobicContact CB-CD2 4.17Å; K93-L132 HydrophobicContact CD-CD1 3.35Å; K93-L132 HydrophobicContact CG-CD1 4.14Å; K128-L132 WeakPolarHBondContact O-CD1 3.28Å; K128-L132 VanDerWaalsContact O-CG 3.31Å; K128-L132 WeakPolarHBondContact O-CG 3.29Å; K128-L132 PolarHBondContact O-N 3.16Å; K128-L132 VanDerWaalsContact O-N 3.16Å; S130-L132 VanDerWaalsContact C-N 3.27Å; S130-L132 PolarHBondContact O-N 3.04Å; L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3.46Å; L132-I135 PolarHBondContact O-N 2.96Å; L132-D136 WeakPolarHBondContact O-CB 3.42Å; L132-D136 VanDerWaalsContact O-CG 3.27Å; L132-D136 PolarHBondContact O-N 2.99Å
133N94.6Very high92.8Very high89 Ų8965.9 Ų65.948%0.47635%0.346SS..Hα-helixtrans-60.7-40.7176-69.2-24.9000111.3E129 S130 D136 M137E129-N133 WeakPolarHBondContact O-CB 3.45Å; E129-N133 PolarHBondContact O-N 2.86Å; E129-N133 PolarHBondContact O-ND2 3.29Å; E129-N133 VanDerWaalsContact O-ND2 3.09Å; S130-N133 PolarHBondContact O-N 3.42Å; S130-N133 VanDerWaalsContact O-N 3.13Å; N133-D136 PolarHBondContact O-N 2.82Å; N133-M137 WeakPolarHBondContact O-CB 3.42Å; N133-M137 VanDerWaalsContact O-CG 3.3Å; N133-M137 WeakPolarHBondContact O-CG 3.22Å; N133-M137 PolarHBondContact O-N 2.88Å
134D93.5Very high92.4Very high44 Ų4469.5 Ų69.524%0.23536%0.359CS..Hα-helixtrans-66.3-41.5178.9-65.8-38.6000111.4E116 S130 A131 L132 M137 Q138E116-D134 HydrophobicContact CG-CB 4.14Å; S130-D134 PolarHBondContact O-N 3.15Å; S130-D134 VanDerWaalsContact O-OD2 3.07Å; A131-D134 PolarHBondContact O-N 3.5Å; L132-D134 VanDerWaalsContact C-N 3.28Å; L132-D134 PolarHBondContact O-N 3.46Å; D134-M137 PolarHBondContact O-N 2.84Å; D134-M137 WeakPolarHBondContact OD1-CE 3.28Å; D134-Q138 VanDerWaalsContact O-CG 3.26Å; D134-Q138 WeakPolarHBondContact O-CG 3.34Å; D134-Q138 PolarHBondContact O-N 3.41Å
135I93.4Very high91.9Very high1 Ų169.8 Ų69.81%0.00536%0.361CS..Hα-helixtrans-62.8-45.5173.6-64.9157.4000111Y94 V113 E116 A131 L132 M137 Q138 D139Y94-I135 HydrophobicContact CD2-CG2 3.68Å; Y94-I135 HydrophobicContact CE2-CG2 3.33Å; V113-I135 HydrophobicContact CB-CD1 4.14Å; V113-I135 HydrophobicContact CG1-CD1 4.07Å; V113-I135 HydrophobicContact CG2-CD1 4.03Å; E116-I135 HydrophobicContact CB-CD1 4.14Å; E116-I135 HydrophobicContact CB-CG1 3.87Å; E116-I135 HydrophobicContact CG-CD1 4.43Å; E116-I135 HydrophobicContact CG-CG1 4Å; A131-I135 WeakPolarHBondContact O-CD1 3.48Å; A131-I135 WeakPolarHBondContact O-CG1 3.47Å; A131-I135 PolarHBondContact O-N 3.23Å; L132-I135 PolarHBondContact O-N 2.96Å; I135-M137 VanDerWaalsContact C-N 3.33Å; I135-M137 PolarHBondContact O-N 2.79Å; I135-Q138 PolarHBondContact O-N 3Å; I135-Q138 VanDerWaalsContact O-N 3.17Å; I135-D139 PolarHBondContact O-N 3.44Å
136D92.9Very high91.3Very high81 Ų8170.6 Ų70.643%0.43337%0.371SS..Hα-helixtrans-63.1-39.2179.3-71.9-15.7000111.6L132 N133 D139 L140L132-D136 WeakPolarHBondContact O-CB 3.42Å; L132-D136 VanDerWaalsContact O-CG 3.27Å; L132-D136 PolarHBondContact O-N 2.99Å; N133-D136 PolarHBondContact O-N 2.82Å; D136-D139 PolarHBondContact O-N 3.31Å; D136-L140 WeakPolarHBondContact O-CG 3.19Å; D136-L140 PolarHBondContact O-N 2.79Å
137M93.6Very high90.4Very high99 Ų9971.1 Ų71.149%0.48836%0.364SS..Hα-helixtrans-64.7-40.8173.6-73.8-172.1-64.900111.9N133 D134 I135 L140 I141N133-M137 WeakPolarHBondContact O-CB 3.42Å; N133-M137 VanDerWaalsContact O-CG 3.3Å; N133-M137 WeakPolarHBondContact O-CG 3.22Å; N133-M137 PolarHBondContact O-N 2.88Å; D134-M137 PolarHBondContact O-N 2.84Å; D134-M137 WeakPolarHBondContact OD1-CE 3.28Å; I135-M137 VanDerWaalsContact C-N 3.33Å; I135-M137 PolarHBondContact O-N 2.79Å; M137-L140 PolarHBondContact O-N 2.88Å; M137-I141 VanDerWaalsContact O-CG1 3.3Å; M137-I141 WeakPolarHBondContact O-CG1 3.31Å; M137-I141 PolarHBondContact O-N 3.12Å; M137-I141 VanDerWaalsContact O-N 3.08Å
138Q93.2Very high89.5Confident87 Ų8772.8 Ų72.841%0.40737%0.368SS..Hα-helixtrans-65.7-41.6176.7-72.6172.731.600111.8E116 D134 I135 L140 I141 Q142E116-Q138 PolarHBondContact OE2-NE2 3.26Å; D134-Q138 VanDerWaalsContact O-CG 3.26Å; D134-Q138 WeakPolarHBondContact O-CG 3.34Å; D134-Q138 PolarHBondContact O-N 3.41Å; I135-Q138 PolarHBondContact O-N 3Å; I135-Q138 VanDerWaalsContact O-N 3.17Å; Q138-L140 PolarHBondContact O-N 2.88Å; Q138-I141 PolarHBondContact O-N 2.8Å; Q138-Q142 WeakPolarHBondContact O-CB 3.4Å; Q138-Q142 PolarHBondContact O-N 2.81Å
139D92.3Very high88.6Confident25 Ų2576.2 Ų76.213%0.13438%0.383CS..Hα-helixtrans-61.2-43175.5-85.1-6.5000111.1Y94 K109 I135 D136 Q142 E143Y94-D139 WeakPolarHBondContact CE2-OD2 3.3Å; Y94-D139 PolarHBondContact OH-OD2 3.04Å; K109-D139 IonicContact NZ-OD2 2.63Å; I135-D139 PolarHBondContact O-N 3.44Å; D136-D139 PolarHBondContact O-N 3.31Å; D139-Q142 PolarHBondContact O-N 2.84Å; D139-E143 WeakPolarHBondContact O-CG 3.21Å; D139-E143 PolarHBondContact O-N 2.63Å
140L93.2Very high87.5Confident102 Ų10277.4 Ų77.453%0.53439%0.389SS..Hα-helixtrans-59.8-46.9174.9-75.7165.6000112.4D136 M137 Q138 Q142 E143 E144D136-L140 WeakPolarHBondContact O-CG 3.19Å; D136-L140 PolarHBondContact O-N 2.79Å; M137-L140 PolarHBondContact O-N 2.88Å; Q138-L140 PolarHBondContact O-N 2.88Å; L140-Q142 VanDerWaalsContact C-N 3.31Å; L140-Q142 PolarHBondContact O-N 2.78Å; L140-E143 PolarHBondContact O-N 2.89Å; L140-E144 WeakPolarHBondContact O-CG 3.43Å; L140-E144 PolarHBondContact O-N 2.95Å
141I92.9Very high86.3Confident94 Ų9480.8 Ų80.848%0.48240%0.399SS..Hα-helixtrans-61.5-43.2177.2-67.4164.6000110.2M137 Q138 E143 E144 E145M137-I141 VanDerWaalsContact O-CG1 3.3Å; M137-I141 WeakPolarHBondContact O-CG1 3.31Å; M137-I141 PolarHBondContact O-N 3.12Å; M137-I141 VanDerWaalsContact O-N 3.08Å; Q138-I141 PolarHBondContact O-N 2.8Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 2.64Å; I141-E144 PolarHBondContact O-N 2.76Å; I141-E145 PolarHBondContact O-N 3.22Å
142Q89.4Confident84.8Confident89 Ų8986.5 Ų86.542%0.41643%0.425SS..Hα-helixtrans-62.3-40.8178.3-174.3178.9-46.500111.8Q138 D139 L140 E145 C146Q138-Q142 WeakPolarHBondContact O-CB 3.4Å; Q138-Q142 PolarHBondContact O-N 2.81Å; D139-Q142 PolarHBondContact O-N 2.84Å; L140-Q142 VanDerWaalsContact C-N 3.31Å; L140-Q142 PolarHBondContact O-N 2.78Å; Q142-E145 PolarHBondContact O-N 3.23Å; Q142-C146 PolarHBondContact O-N 2.98Å
143E89.2Confident83.7Confident107 Ų10788 Ų8850%0.544%0.44SS..Hα-helixtrans-64.1-41.5175.5-74.5-176.7-172.600112.6D139 L140 I141 C146 K147D139-E143 WeakPolarHBondContact O-CG 3.21Å; D139-E143 PolarHBondContact O-N 2.63Å; L140-E143 PolarHBondContact O-N 2.89Å; I141-E143 VanDerWaalsContact C-N 3.33Å; I141-E143 PolarHBondContact O-N 2.64Å; E143-C146 PolarHBondContact O-N 3.37Å; E143-K147 WeakPolarHBondContact O-CG 3.34Å; E143-K147 PolarHBondContact O-N 3.12Å
144E87.4Confident82.4Confident127 Ų12789.2 Ų89.259%0.59345%0.446SS*.Hα-helixtrans-63.1-43176.4-72.6-176.9166.300112L140 I141 C146 K147 T148L140-E144 WeakPolarHBondContact O-CG 3.43Å; L140-E144 PolarHBondContact O-N 2.95Å; I141-E144 PolarHBondContact O-N 2.76Å; E144-C146 PolarHBondContact O-N 3.36Å; E144-K147 PolarHBondContact O-N 3.09Å; E144-T148 PolarHBondContact O-N 3.48Å; E144-T148 PolarHBondContact O-OG1 2.96Å
145E84.2Confident80.7Confident108 Ų10893.1 Ų93.151%0.50547%0.466SS..Hα-helixtrans-65.6-37.3176.3-73.4-166.3174.500112.8I141 Q142 K149I141-E145 PolarHBondContact O-N 3.22Å; Q142-E145 PolarHBondContact O-N 3.23Å; E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 3.23Å; E145-K149 VanDerWaalsContact O-N 3.14Å
146C78.8Confident79Confident66 Ų6696.9 Ų96.945%0.44649%0.493SS..Hα-helixtrans-65-47176.1-890000111.8Q142 E143 E144 T148 K149 E150Q142-C146 PolarHBondContact O-N 2.98Å; E143-C146 PolarHBondContact O-N 3.37Å; E144-C146 PolarHBondContact O-N 3.36Å; C146-T148 VanDerWaalsContact C-N 3.31Å; C146-T148 PolarHBondContact O-N 3.46Å; C146-K149 PolarHBondContact O-N 2.68Å; C146-E150 PolarHBondContact O-N 2.94Å
147K75.3Confident77.4Confident117 Ų11798.4 Ų98.451%0.50951%0.505SS..Hα-helixtrans-58.1-44.7175.9-72.3170.3-175161.10111.7E143 E144 K149 E150 E151E143-K147 WeakPolarHBondContact O-CG 3.34Å; E143-K147 PolarHBondContact O-N 3.12Å; E144-K147 PolarHBondContact O-N 3.09Å; K147-K149 VanDerWaalsContact C-N 3.27Å; K147-K149 PolarHBondContact O-N 2.84Å; K147-E150 PolarHBondContact O-N 3Å; K147-E151 WeakPolarHBondContact O-CG 3.5Å; K147-E151 PolarHBondContact O-N 2.95Å
148T71.7Confident75.7Confident64 Ų64100 Ų10039%0.39352%0.519SS..Hα-helixtrans-62.5-35.3179.8-52.10000112E144 C146 Q152E144-T148 PolarHBondContact O-N 3.48Å; E144-T148 PolarHBondContact O-OG1 2.96Å; C146-T148 VanDerWaalsContact C-N 3.31Å; C146-T148 PolarHBondContact O-N 3.46Å; T148-Q152 WeakPolarHBondContact O-CB 3.48Å; T148-Q152 WeakPolarHBondContact O-CG 3.35Å; T148-Q152 PolarHBondContact O-N 2.98Å
149K72.5Confident73.9Confident127 Ų127101.7 Ų101.755%0.55253%0.531SS*.Hα-helixtrans-71.8-38.2176-75170.3-175.7158.50112.6E145 C146 K147 Q152 A153E145-K149 WeakPolarHBondContact O-CG 3.36Å; E145-K149 PolarHBondContact O-N 3.23Å; E145-K149 VanDerWaalsContact O-N 3.14Å; C146-K149 PolarHBondContact O-N 2.68Å; K147-K149 VanDerWaalsContact C-N 3.27Å; K147-K149 PolarHBondContact O-N 2.84Å; K149-Q152 PolarHBondContact O-N 2.79Å; K149-A153 WeakPolarHBondContact O-CB 3.01Å; K149-A153 PolarHBondContact O-N 2.92Å
150E69.7Low72.2Confident131 Ų131106.9 Ų106.961%0.61256%0.564SS**Hα-helixtrans-65.3-45.1174.2-70.5179.2170.500110.9C146 K147 Q152 A153 D154C146-E150 PolarHBondContact O-N 2.94Å; K147-E150 PolarHBondContact O-N 3Å; E150-Q152 VanDerWaalsContact C-N 3.34Å; E150-Q152 PolarHBondContact O-N 3.06Å; E150-A153 WeakPolarHBondContact O-CB 3.47Å; E150-A153 PolarHBondContact O-N 3.07Å; E150-A153 VanDerWaalsContact O-N 3.16Å; E150-D154 PolarHBondContact O-N 3.48Å
151E68.6Low70.3Confident123 Ų123108 Ų10858%0.57558%0.58SS**Hα-helixtrans-60.4-42174.3-71.8177.717200112K147 D154 I155K147-E151 WeakPolarHBondContact O-CG 3.5Å; K147-E151 PolarHBondContact O-N 2.95Å; E151-D154 PolarHBondContact O-N 3.12Å; E151-I155 WeakPolarHBondContact O-CD1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.24Å; E151-I155 PolarHBondContact O-N 3.47Å
152Q61.4Low68.4Low121 Ų121106.5 Ų106.557%0.56559%0.588SS**Hα-helixtrans-65.7-38.2174.5-76.1174.120.700112.6T148 K149 E150 I155 S156T148-Q152 WeakPolarHBondContact O-CB 3.48Å; T148-Q152 WeakPolarHBondContact O-CG 3.35Å; T148-Q152 PolarHBondContact O-N 2.98Å; K149-Q152 PolarHBondContact O-N 2.79Å; E150-Q152 VanDerWaalsContact C-N 3.34Å; E150-Q152 PolarHBondContact O-N 3.06Å; Q152-I155 PolarHBondContact O-N 2.75Å; Q152-S156 WeakPolarHBondContact O-CB 3.27Å; Q152-S156 PolarHBondContact O-N 2.97Å; Q152-S156 PolarHBondContact O-OG 3.35Å
153A69.8Low66.3Low46 Ų46116.1 Ų116.138%0.3863%0.629SS.*Hα-helixtrans-65-45.1176.200000110.9K149 E150 I155 S156 V157K149-A153 WeakPolarHBondContact O-CB 3.01Å; K149-A153 PolarHBondContact O-N 2.92Å; E150-A153 WeakPolarHBondContact O-CB 3.47Å; E150-A153 PolarHBondContact O-N 3.07Å; E150-A153 VanDerWaalsContact O-N 3.16Å; A153-I155 PolarHBondContact O-N 3.03Å; A153-S156 PolarHBondContact O-N 3.03Å; A153-S156 VanDerWaalsContact O-N 3.16Å; A153-S156 PolarHBondContact O-OG 3.17Å; A153-V157 VanDerWaalsContact O-CG2 3.31Å; A153-V157 WeakPolarHBondContact O-CG2 3.41Å; A153-V157 PolarHBondContact O-N 3.26Å; A153-V157 VanDerWaalsContact O-N 3.1Å
154D66.6Low65.2Low114 Ų114116.6 Ų116.661%0.6164%0.635SS**Hα-helixtrans-62.8-40.8177.1-77.4-14.3000111.8E150 E151 S156 V157 V158E150-D154 PolarHBondContact O-N 3.48Å; E151-D154 PolarHBondContact O-N 3.12Å; D154-S156 VanDerWaalsContact C-N 3.32Å; D154-S156 PolarHBondContact O-N 3.46Å; D154-V157 PolarHBondContact O-N 2.9Å; D154-V158 VanDerWaalsContact O-CG2 3.31Å; D154-V158 WeakPolarHBondContact O-CG2 3.16Å; D154-V158 PolarHBondContact O-N 3.12Å
155I59.2Low64Low127 Ų127116 Ų11665%0.65164%0.637SS**Hα-helixtrans-62.8-39.3174.6-68.2163.5000111.2E151 Q152 A153 V157 V158E151-I155 WeakPolarHBondContact O-CD1 3.23Å; E151-I155 WeakPolarHBondContact O-CG1 3.24Å; E151-I155 PolarHBondContact O-N 3.47Å; Q152-I155 PolarHBondContact O-N 2.75Å; A153-I155 PolarHBondContact O-N 3.03Å; I155-V157 VanDerWaalsContact C-N 3.31Å; I155-V157 PolarHBondContact O-N 2.64Å; I155-V158 PolarHBondContact O-N 2.81Å
156S57.5Low62.9Low80 Ų80116.4 Ų116.456%0.55965%0.645SS**Hα-helixtrans-71.7-22.9-179.873.60000114.2Q152 A153 D154Q152-S156 WeakPolarHBondContact O-CB 3.27Å; Q152-S156 PolarHBondContact O-N 2.97Å; Q152-S156 PolarHBondContact O-OG 3.35Å; A153-S156 PolarHBondContact O-N 3.03Å; A153-S156 VanDerWaalsContact O-N 3.16Å; A153-S156 PolarHBondContact O-OG 3.17Å; D154-S156 VanDerWaalsContact C-N 3.32Å; D154-S156 PolarHBondContact O-N 3.46Å
157V58.5Low61.9Low113 Ų113119.4 Ų119.469%0.68566%0.656SS**Hα-helixtrans-84.2-20.7177.4175.30000112A153 D154 I155 D159A153-V157 VanDerWaalsContact O-CG2 3.31Å; A153-V157 WeakPolarHBondContact O-CG2 3.41Å; A153-V157 PolarHBondContact O-N 3.26Å; A153-V157 VanDerWaalsContact O-N 3.1Å; D154-V157 PolarHBondContact O-N 2.9Å; I155-V157 VanDerWaalsContact C-N 3.31Å; I155-V157 PolarHBondContact O-N 2.64Å; V157-D159 VanDerWaalsContact C-N 3.28Å; V157-D159 PolarHBondContact O-N 3.08Å
158V58.4Low61.1Low131 Ų131119.6 Ų119.679%0.79467%0.665SS**SBendtrans-80.4-7.8178.6177.10000112.7D154 I155D154-V158 VanDerWaalsContact O-CG2 3.31Å; D154-V158 WeakPolarHBondContact O-CG2 3.16Å; D154-V158 PolarHBondContact O-N 3.12Å; I155-V158 PolarHBondContact O-N 2.81Å
159D55.3Low60.4Low124 Ų124123.3 Ų123.366%0.66368%0.684SS**SBendtrans-95.7150.9172.3-152.2-10.4000111.1V157V157-D159 VanDerWaalsContact C-N 3.28Å; V157-D159 PolarHBondContact O-N 3.08Å
160V55.9Low59.5Low134 Ų134123 Ų12381%0.81269%0.693SS**SBendtrans87.124.4171.8-138.90000121.2
161S53.3Low58.7Low125 Ų125122.4 Ų122.487%0.87470%0.699SS**SBendtrans-137.214.6161.361.70000116.8
162G53Low57.9Low63 Ų63122.3 Ų122.365%0.64971%0.71SS**  trans-123.544.1-173.500000115.5
163F46.4Very low57.6Low290 Ų290122.5 Ų122.5100%1.27272%0.723SS**  trans-157.80153.5-85.5-69.9000110.4

Retrieved 163 of 163 residues in 89 ms (Link to these results)

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