A0A077ZKA2_TRITR Loading...

Nuc H symport and PfkB and ADP ribosyl GH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKA2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,037 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
1M90.1Very high95.2Very high38 Ų3823.7 Ų23.719%0.18711%0.108CC..  0-65.70-72.5-49.4146.500113.5V3 E4 W5 T102 N103 I120 M123M1-V3 PolarHBondContact O-N 3.26Å; M1-E4 WeakPolarHBondContact O-CB 3.43Å; M1-E4 PolarHBondContact O-N 3.21Å; M1-W5 PolarHBondContact O-N 3.31Å; M1-W5 VanDerWaalsContact O-N 3.13Å; M1-T102 VanDerWaalsContact CE-CB 3.43Å; M1-T102 VanDerWaalsContact CE-O 3.25Å; M1-T102 WeakPolarHBondContact CE-O 3.18Å; M1-T102 VanDerWaalsContact CE-OG1 3.28Å; M1-T102 WeakPolarHBondContact CE-OG1 3.24Å; M1-N103 WeakPolarHBondContact CE-OD1 3.26Å; M1-I120 HydrophobicContact CB-CG2 4.24Å; M1-I120 WeakPolarHBondContact CB-O 3.22Å; M1-I120 HydrophobicContact CG-CG2 3.58Å; M1-M123 HydrophobicContact CB-CB 4.46Å
2F95.3Very high95.2Very high85 Ų8522.5 Ų22.537%0.37310%0.102SC..Hα-helixtrans-51.9-56-177.8178.9-87.5000113.7E4 W5 F6 M123 I126 G127 A130F2-E4 VanDerWaalsContact C-N 3.32Å; F2-E4 PolarHBondContact O-N 2.89Å; F2-W5 PolarHBondContact O-N 3.03Å; F2-F6 HydrophobicContact CE1-CD2 4.49Å; F2-F6 WeakPolarHBondContact O-CB 3.41Å; F2-F6 PolarHBondContact O-N 2.71Å; F2-M123 WeakPolarHBondContact CA-O 3.31Å; F2-M123 HydrophobicContact CB-CB 4.38Å; F2-I126 HydrophobicContact CD2-CG2 4.29Å; F2-I126 HydrophobicContact CE2-CG2 3.98Å; F2-G127 WeakPolarHBondContact O-CA 3.46Å; F2-A130 HydrophobicContact CE2-CB 3.99Å; F2-A130 HydrophobicContact CZ-CB 3.73Å
3V95.7Very high95.2Very high35 Ų3521.8 Ų21.821%0.21210%0.101CC..Hα-helixtrans-65-37.8-178.6-172.10000111.5M1 W5 F6 I7 L164M1-V3 PolarHBondContact O-N 3.26Å; V3-W5 PolarHBondContact O-N 3.2Å; V3-F6 PolarHBondContact O-N 3.32Å; V3-I7 HydrophobicContact CG1-CD1 4.1Å; V3-I7 HydrophobicContact CG1-CG1 4.38Å; V3-I7 WeakPolarHBondContact O-CD1 3.35Å; V3-I7 WeakPolarHBondContact O-CG1 3.48Å; V3-I7 PolarHBondContact O-N 3.12Å; V3-L164 HydrophobicContact CB-CB 4.49Å; V3-L164 HydrophobicContact CB-CD1 4.35Å; V3-L164 HydrophobicContact CB-CD2 4.48Å; V3-L164 HydrophobicContact CG1-CB 3.86Å; V3-L164 HydrophobicContact CG1-CD2 4.43Å
4E96.1Very high95.1Very high0 Ų020.4 Ų20.40%09%0.094CC..Hα-helixtrans-54.1-53.2177.4-177.569.1-179.500111M1 F2 I7 W8 M65 Y95 T98 I99 T102 L164M1-E4 WeakPolarHBondContact O-CB 3.43Å; M1-E4 PolarHBondContact O-N 3.21Å; F2-E4 VanDerWaalsContact C-N 3.32Å; F2-E4 PolarHBondContact O-N 2.89Å; E4-I7 WeakPolarHBondContact O-CB 3.35Å; E4-I7 PolarHBondContact O-N 3.39Å; E4-W8 PolarHBondContact O-N 2.98Å; E4-M65 WeakPolarHBondContact OE2-CE 3.48Å; E4-Y95 PolarHBondContact O-OH 3.37Å; E4-T98 VanDerWaalsContact OE1-C 3.25Å; E4-T98 WeakPolarHBondContact OE1-CB 3.4Å; E4-T98 PolarHBondContact OE1-OG1 3.01Å; E4-I99 PolarHBondContact OE1-N 3.43Å; E4-T102 HydrophobicContact CG-CG2 4.37Å; E4-L164 HydrophobicContact CB-CD2 4.16Å; E4-L164 WeakPolarHBondContact OE2-CD2 3.42Å
5W95Very high95.2Very high34 Ų3419 Ų1913%0.1299%0.088CC..Hα-helixtrans-78.5-25.2-177.6-72.486.4000113.3M1 F2 V3 I7 W8 G9 I99 G124 W128M1-W5 PolarHBondContact O-N 3.31Å; M1-W5 VanDerWaalsContact O-N 3.13Å; F2-W5 PolarHBondContact O-N 3.03Å; V3-W5 PolarHBondContact O-N 3.2Å; W5-I7 VanDerWaalsContact C-N 3.34Å; W5-W8 AromaticContact CE3-CE3 3.88Å; W5-W8 HydrophobicContact CE3-CE3 3.88Å; W5-W8 HydrophobicContact CE3-CZ3 4.32Å; W5-W8 AromaticContact CH2-CE3 3.91Å; W5-W8 HydrophobicContact CH2-CE3 3.91Å; W5-W8 AromaticContact CH2-CZ3 3.53Å; W5-W8 HydrophobicContact CH2-CZ3 3.53Å; W5-W8 HydrophobicContact CZ2-CZ3 4.47Å; W5-W8 AromaticContact CZ3-CE3 3.45Å; W5-W8 HydrophobicContact CZ3-CE3 3.45Å; W5-W8 VanDerWaalsContact CZ3-CE3 3.45Å; W5-W8 AromaticContact CZ3-CZ3 3.44Å; W5-W8 HydrophobicContact CZ3-CZ3 3.44Å; W5-W8 VanDerWaalsContact CZ3-CZ3 3.44Å; W5-W8 PolarHBondContact O-N 3.4Å; W5-G9 PolarHBondContact O-N 3.28Å; W5-G9 VanDerWaalsContact O-N 3.14Å; W5-I99 HydrophobicContact CZ2-CG2 4.17Å; W5-G124 WeakPolarHBondContact CB-O 3.38Å; W5-G124 VanDerWaalsContact CD1-CA 3.44Å; W5-W128 HydrophobicContact CE3-CE3 4.12Å
6F97.5Very high95.1Very high29 Ų2918 Ų1813%0.1278%0.083CC..Hα-helixtrans-61-44.3169-177.9-80.7000111.2F2 V3 W8 G9 A10 G127 A130 S131 A134 I156 S160F2-F6 HydrophobicContact CE1-CD2 4.49Å; F2-F6 WeakPolarHBondContact O-CB 3.41Å; F2-F6 PolarHBondContact O-N 2.71Å; V3-F6 PolarHBondContact O-N 3.32Å; F6-W8 VanDerWaalsContact C-N 3.33Å; F6-W8 PolarHBondContact O-N 2.9Å; F6-G9 PolarHBondContact O-N 3.03Å; F6-A10 HydrophobicContact CD1-CB 4.46Å; F6-A10 HydrophobicContact CE1-CB 4.24Å; F6-A10 VanDerWaalsContact O-CB 3.25Å; F6-A10 WeakPolarHBondContact O-CB 3.36Å; F6-A10 PolarHBondContact O-N 2.93Å; F6-G127 WeakPolarHBondContact CA-O 3.36Å; F6-G127 WeakPolarHBondContact CD2-O 3.42Å; F6-A130 HydrophobicContact CD2-CB 4.02Å; F6-A130 HydrophobicContact CE2-CB 4.28Å; F6-S131 VanDerWaalsContact CE2-CA 3.43Å; F6-S131 VanDerWaalsContact O-CB 3.27Å; F6-S131 WeakPolarHBondContact O-CB 3.33Å; F6-A134 HydrophobicContact CE2-CB 4.02Å; F6-A134 HydrophobicContact CZ-CB 3.99Å; F6-I156 HydrophobicContact CE1-CG2 3.86Å; F6-I156 HydrophobicContact CZ-CG2 4.28Å; F6-S160 WeakPolarHBondContact CE1-OG 3.4Å
7I97.3Very high94.9Very high0 Ų018.2 Ų18.20%09%0.085CC..Hα-helixtrans-55.2-50.7177.4-70.7159.9000109.7V3 E4 W5 A10 M65 Y91 Y95 T157 S161 L164V3-I7 HydrophobicContact CG1-CD1 4.1Å; V3-I7 HydrophobicContact CG1-CG1 4.38Å; V3-I7 WeakPolarHBondContact O-CD1 3.35Å; V3-I7 WeakPolarHBondContact O-CG1 3.48Å; V3-I7 PolarHBondContact O-N 3.12Å; E4-I7 WeakPolarHBondContact O-CB 3.35Å; E4-I7 PolarHBondContact O-N 3.39Å; W5-I7 VanDerWaalsContact C-N 3.34Å; I7-A10 PolarHBondContact O-N 3.37Å; I7-M65 HydrophobicContact CD1-SD 4.01Å; I7-Y91 VanDerWaalsContact CG2-OH 3.31Å; I7-Y91 WeakPolarHBondContact CG2-OH 3.47Å; I7-Y95 HydrophobicContact CB-CE2 4.06Å; I7-Y95 HydrophobicContact CG2-CD2 4.03Å; I7-Y95 HydrophobicContact CG2-CE2 3.51Å; I7-T157 HydrophobicContact CG2-CG2 3.72Å; I7-T157 PolarHBondContact O-OG1 3.49Å; I7-S161 WeakPolarHBondContact CG2-OG 3.35Å; I7-L164 HydrophobicContact CD1-CB 4.06Å; I7-L164 HydrophobicContact CD1-CD2 3.75Å
8W95.5Very high94.8Very high39 Ų3918.2 Ų18.215%0.1488%0.084CC..Hα-helixtrans-60.5-52.8-178.4-159.8-10.2000111.9E4 W5 F6 A10 F12 Y95 M96 I99 W128E4-W8 PolarHBondContact O-N 2.98Å; W5-W8 AromaticContact CE3-CE3 3.88Å; W5-W8 HydrophobicContact CE3-CE3 3.88Å; W5-W8 HydrophobicContact CE3-CZ3 4.32Å; W5-W8 AromaticContact CH2-CE3 3.91Å; W5-W8 HydrophobicContact CH2-CE3 3.91Å; W5-W8 AromaticContact CH2-CZ3 3.53Å; W5-W8 HydrophobicContact CH2-CZ3 3.53Å; W5-W8 HydrophobicContact CZ2-CZ3 4.47Å; W5-W8 AromaticContact CZ3-CE3 3.45Å; W5-W8 HydrophobicContact CZ3-CE3 3.45Å; W5-W8 VanDerWaalsContact CZ3-CE3 3.45Å; W5-W8 AromaticContact CZ3-CZ3 3.44Å; W5-W8 HydrophobicContact CZ3-CZ3 3.44Å; W5-W8 VanDerWaalsContact CZ3-CZ3 3.44Å; W5-W8 PolarHBondContact O-N 3.4Å; F6-W8 VanDerWaalsContact C-N 3.33Å; F6-W8 PolarHBondContact O-N 2.9Å; W8-A10 VanDerWaalsContact C-N 3.27Å; W8-A10 PolarHBondContact O-N 2.93Å; W8-F12 AromaticContact CD1-CG 3.91Å; W8-F12 AromaticContact NE1-CD2 3.61Å; W8-F12 AromaticContact NE1-CG 3.67Å; W8-F12 WeakPolarHBondContact O-CB 3.41Å; W8-F12 PolarHBondContact O-N 3.06Å; W8-Y95 HydrophobicContact CB-CE1 4.05Å; W8-Y95 WeakPolarHBondContact CB-OH 3.16Å; W8-Y95 HydrophobicContact CD2-CE1 4.21Å; W8-Y95 HydrophobicContact CE3-CE1 4.44Å; W8-Y95 HydrophobicContact CG-CE1 4.02Å; W8-M96 HydrophobicContact CH2-CE 4.41Å; W8-M96 HydrophobicContact CZ2-CE 3.94Å; W8-I99 HydrophobicContact CE3-CD1 3.87Å; W8-I99 HydrophobicContact CH2-CD1 4.24Å; W8-I99 HydrophobicContact CZ3-CD1 3.53Å; W8-W128 HydrophobicContact CB-CE3 4.21Å; W8-W128 HydrophobicContact CB-CZ3 3.8Å; W8-W128 AromaticContact CD2-CZ3 3.86Å; W8-W128 HydrophobicContact CD2-CZ3 3.86Å; W8-W128 HydrophobicContact CE3-CZ3 4.35Å; W8-W128 HydrophobicContact CG-CE3 4.47Å; W8-W128 HydrophobicContact CG-CH2 4.44Å; W8-W128 AromaticContact CG-CZ3 3.62Å; W8-W128 HydrophobicContact CG-CZ3 3.62Å
9G94.1Very high94.8Very high1 Ų117.2 Ų17.21%0.018%0.079CC..Hα-helixtrans-64.8-31.6-176.400000113.2W5 F6 W11 V13 S131W5-G9 PolarHBondContact O-N 3.28Å; W5-G9 VanDerWaalsContact O-N 3.14Å; F6-G9 PolarHBondContact O-N 3.03Å; G9-W11 PolarHBondContact O-N 3.04Å; G9-V13 PolarHBondContact O-N 3.34Å; G9-S131 VanDerWaalsContact CA-OG 3.22Å; G9-S131 WeakPolarHBondContact CA-OG 3.31Å
10A95.9Very high94.7Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-63.2-41.8-177.200000113.4F6 I7 W8 P14 S131 P153 I156 T157F6-A10 HydrophobicContact CD1-CB 4.46Å; F6-A10 HydrophobicContact CE1-CB 4.24Å; F6-A10 VanDerWaalsContact O-CB 3.25Å; F6-A10 WeakPolarHBondContact O-CB 3.36Å; F6-A10 PolarHBondContact O-N 2.93Å; I7-A10 PolarHBondContact O-N 3.37Å; W8-A10 VanDerWaalsContact C-N 3.27Å; W8-A10 PolarHBondContact O-N 2.93Å; A10-P14 WeakPolarHBondContact O-CD 3.46Å; A10-P14 WeakPolarHBondContact O-CG 3.37Å; A10-S131 PolarHBondContact N-OG 2.89Å; A10-P153 VanDerWaalsContact O-CB 3.26Å; A10-P153 WeakPolarHBondContact O-CB 3.46Å; A10-I156 HydrophobicContact CB-CG2 4.35Å; A10-T157 WeakPolarHBondContact CB-OG1 3.17Å
11W95Very high94.5Very high0 Ų024.9 Ų24.90%012%0.118CC..Hα-helixtrans-93.7-39.3177.570.9-86.8000112.4G9 P14 L15 T36 M72 L88 Y91 L154 T157G9-W11 PolarHBondContact O-N 3.04Å; W11-P14 WeakPolarHBondContact O-CD 3.19Å; W11-L15 HydrophobicContact CE3-CD1 4.39Å; W11-L15 HydrophobicContact CE3-CD2 3.92Å; W11-L15 HydrophobicContact CZ3-CD2 3.64Å; W11-L15 VanDerWaalsContact O-CB 3.26Å; W11-L15 WeakPolarHBondContact O-CB 3.24Å; W11-L15 PolarHBondContact O-N 2.65Å; W11-L15 VanDerWaalsContact O-N 3.12Å; W11-T36 HydrophobicContact CH2-CG2 3.64Å; W11-T36 HydrophobicContact CZ2-CG2 3.97Å; W11-M72 HydrophobicContact CD2-CE 4.19Å; W11-M72 HydrophobicContact CG-CE 4.13Å; W11-L88 HydrophobicContact CE3-CD1 4.23Å; W11-L88 HydrophobicContact CH2-CD1 4.13Å; W11-L88 HydrophobicContact CZ3-CD1 3.79Å; W11-L88 HydrophobicContact CZ3-CD2 4.11Å; W11-L88 HydrophobicContact CZ3-CG 4.43Å; W11-Y91 AromaticContact CE2-CE1 3.76Å; W11-Y91 HydrophobicContact CZ2-CD1 4.48Å; W11-Y91 AromaticContact CZ2-CE1 3.85Å; W11-Y91 HydrophobicContact CZ2-CE1 3.85Å; W11-Y91 AromaticContact NE1-CE1 3.64Å; W11-Y91 AromaticContact NE1-CZ 3.93Å; W11-Y91 PolarHBondContact NE1-OH 2.73Å; W11-L154 HydrophobicContact CB-CD1 4.45Å; W11-L154 HydrophobicContact CB-CG 4.36Å; W11-T157 HydrophobicContact CB-CG2 4.22Å; W11-T157 WeakPolarHBondContact CB-OG1 3.15Å; W11-T157 VanDerWaalsContact CD1-CG2 3.47Å; W11-T157 HydrophobicContact CG-CG2 4.1Å; W11-T157 PolarHBondContact N-OG1 2.9Å
12F95.4Very high94.5Very high9 Ų925.2 Ų25.24%0.03912%0.124CC..Hα-helixtrans-70.7-38.6-165.9-172.6-95.3000113.4W8 Y33 T36 W128 Y219W8-F12 AromaticContact CD1-CG 3.91Å; W8-F12 AromaticContact NE1-CD2 3.61Å; W8-F12 AromaticContact NE1-CG 3.67Å; W8-F12 WeakPolarHBondContact O-CB 3.41Å; W8-F12 PolarHBondContact O-N 3.06Å; F12-Y33 HydrophobicContact CD1-CE1 4.2Å; F12-Y33 HydrophobicContact CD2-CD1 4.04Å; F12-Y33 HydrophobicContact CD2-CE1 4.04Å; F12-Y33 HydrophobicContact CE1-CD1 4.16Å; F12-Y33 AromaticContact CE1-CE1 3.96Å; F12-Y33 HydrophobicContact CE1-CE1 3.96Å; F12-Y33 AromaticContact CE2-CD1 3.41Å; F12-Y33 HydrophobicContact CE2-CD1 3.41Å; F12-Y33 VanDerWaalsContact CE2-CD1 3.41Å; F12-Y33 AromaticContact CE2-CE1 3.8Å; F12-Y33 HydrophobicContact CE2-CE1 3.8Å; F12-Y33 HydrophobicContact CE2-CG 4.49Å; F12-Y33 HydrophobicContact CG-CE1 4.24Å; F12-Y33 AromaticContact CZ-CD1 3.48Å; F12-Y33 HydrophobicContact CZ-CD1 3.48Å; F12-Y33 VanDerWaalsContact CZ-CD1 3.48Å; F12-Y33 AromaticContact CZ-CE1 3.76Å; F12-Y33 HydrophobicContact CZ-CE1 3.76Å; F12-Y33 WeakPolarHBondContact O-CE1 3.3Å; F12-Y33 PolarHBondContact O-OH 3.37Å; F12-T36 HydrophobicContact CD2-CG2 4.15Å; F12-T36 HydrophobicContact CE2-CG2 3.86Å; F12-W128 HydrophobicContact CD1-CH2 4.09Å; F12-Y219 HydrophobicContact CE1-CG 4.32Å
13V94.6Very high94.3Very high14 Ų1424.2 Ų24.29%0.08514%0.138CC..THydrogen-bonded Turntrans-69.4-50.5-179.5179.90000112.2G9 L15 W128 N223 T235 M238G9-V13 PolarHBondContact O-N 3.34Å; V13-L15 VanDerWaalsContact C-N 3.34Å; V13-W128 HydrophobicContact CG2-CH2 4.4Å; V13-W128 HydrophobicContact CG2-CZ2 3.65Å; V13-N223 WeakPolarHBondContact O-CB 3.32Å; V13-T235 HydrophobicContact CG1-CG2 4.15Å; V13-M238 HydrophobicContact CG1-CE 4.38Å; V13-M238 HydrophobicContact CG1-SD 4.08Å
14P94.3Very high94.2Very high1 Ų123.1 Ų23.11%0.00613%0.13CC..THydrogen-bonded Turntrans-82.1-4.8179.932.2-36.5000114.6A10 W11 W16 L17 W18 P153 T235A10-P14 WeakPolarHBondContact O-CD 3.46Å; A10-P14 WeakPolarHBondContact O-CG 3.37Å; W11-P14 WeakPolarHBondContact O-CD 3.19Å; P14-W16 VanDerWaalsContact C-N 3.27Å; P14-W16 PolarHBondContact O-N 3.14Å; P14-L17 PolarHBondContact O-N 2.98Å; P14-L17 VanDerWaalsContact O-N 3.12Å; P14-W18 PolarHBondContact O-N 3.07Å; P14-P153 HydrophobicContact CB-CB 4.48Å; P14-P153 HydrophobicContact CB-CG 4.27Å; P14-P153 HydrophobicContact CG-CB 3.62Å; P14-P153 HydrophobicContact CG-CG 3.92Å; P14-T235 HydrophobicContact CB-CG2 4.18Å
15L95.5Very high94.1Very high0 Ų025 Ų250%014%0.144CC..Hα-helixtrans-53.1-43-172.7-177.967.5000113W11 V13 L17 W18 L19 Y33 F84 L88 L154W11-L15 HydrophobicContact CE3-CD1 4.39Å; W11-L15 HydrophobicContact CE3-CD2 3.92Å; W11-L15 HydrophobicContact CZ3-CD2 3.64Å; W11-L15 VanDerWaalsContact O-CB 3.26Å; W11-L15 WeakPolarHBondContact O-CB 3.24Å; W11-L15 PolarHBondContact O-N 2.65Å; W11-L15 VanDerWaalsContact O-N 3.12Å; V13-L15 VanDerWaalsContact C-N 3.34Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.3Å; L15-W18 HydrophobicContact CD1-CE3 4.06Å; L15-W18 HydrophobicContact CD1-CZ3 4.29Å; L15-W18 PolarHBondContact O-N 2.86Å; L15-L19 HydrophobicContact CD1-CD1 3.81Å; L15-L19 HydrophobicContact CD1-CD2 4.41Å; L15-L19 HydrophobicContact CD1-CG 3.88Å; L15-L19 HydrophobicContact CD2-CD1 4.09Å; L15-L19 HydrophobicContact CG-CD1 3.63Å; L15-L19 HydrophobicContact CG-CG 4.06Å; L15-L19 WeakPolarHBondContact O-CG 3.47Å; L15-L19 PolarHBondContact O-N 3.24Å; L15-Y33 HydrophobicContact CB-CE2 4.22Å; L15-Y33 HydrophobicContact CD2-CD2 4.05Å; L15-Y33 HydrophobicContact CD2-CE1 4.47Å; L15-Y33 HydrophobicContact CD2-CE2 3.76Å; L15-Y33 HydrophobicContact CG-CE2 4.16Å; L15-F84 HydrophobicContact CD1-CE1 4.46Å; L15-F84 HydrophobicContact CD1-CZ 3.95Å; L15-L88 HydrophobicContact CD2-CD2 4.44Å; L15-L154 HydrophobicContact CD1-CD1 4.41Å
16W94.2Very high94Very high3 Ų323.7 Ų23.71%0.01114%0.14CC..Hα-helixtrans-54.8-48.1179.6-178.9-87.5000112.6P14 W18 L19 S20 A26 I29 Y33 I220 F221 F366P14-W16 VanDerWaalsContact C-N 3.27Å; P14-W16 PolarHBondContact O-N 3.14Å; W16-W18 PolarHBondContact O-N 2.98Å; W16-L19 PolarHBondContact O-N 2.88Å; W16-S20 WeakPolarHBondContact O-CB 3.38Å; W16-S20 PolarHBondContact O-N 2.76Å; W16-A26 HydrophobicContact CH2-CB 3.88Å; W16-I29 HydrophobicContact CD2-CD1 4.04Å; W16-I29 HydrophobicContact CD2-CG2 4.06Å; W16-I29 HydrophobicContact CE3-CB 3.79Å; W16-I29 HydrophobicContact CE3-CD1 3.83Å; W16-I29 HydrophobicContact CE3-CG1 4.37Å; W16-I29 HydrophobicContact CE3-CG2 3.07Å; W16-I29 HydrophobicContact CH2-CB 4.12Å; W16-I29 HydrophobicContact CH2-CD1 3.58Å; W16-I29 HydrophobicContact CH2-CG1 4.43Å; W16-I29 HydrophobicContact CH2-CG2 4.31Å; W16-I29 HydrophobicContact CZ2-CD1 3.87Å; W16-I29 HydrophobicContact CZ3-CB 3.39Å; W16-I29 HydrophobicContact CZ3-CD1 3.59Å; W16-I29 HydrophobicContact CZ3-CG1 4.07Å; W16-I29 HydrophobicContact CZ3-CG2 3.23Å; W16-Y33 HydrophobicContact CB-CE2 4.47Å; W16-Y33 HydrophobicContact CE3-CE2 4.49Å; W16-Y33 PolarHBondContact N-OH 3.46Å; W16-I220 HydrophobicContact CD2-CG2 4.39Å; W16-I220 HydrophobicContact CE3-CG2 3.25Å; W16-I220 HydrophobicContact CH2-CG2 4.4Å; W16-I220 HydrophobicContact CZ3-CG2 3.26Å; W16-F221 HydrophobicContact CE3-CD1 4.16Å; W16-F221 HydrophobicContact CE3-CE1 4.26Å; W16-F221 AromaticContact CH2-CD1 3.77Å; W16-F221 HydrophobicContact CH2-CD1 3.77Å; W16-F221 AromaticContact CH2-CE1 3.38Å; W16-F221 HydrophobicContact CH2-CE1 3.38Å; W16-F221 HydrophobicContact CZ2-CD1 4.08Å; W16-F221 HydrophobicContact CZ2-CE1 4.1Å; W16-F221 AromaticContact CZ3-CD1 3.78Å; W16-F221 HydrophobicContact CZ3-CD1 3.78Å; W16-F221 AromaticContact CZ3-CE1 3.44Å; W16-F221 HydrophobicContact CZ3-CE1 3.44Å; W16-F221 VanDerWaalsContact CZ3-CE1 3.44Å; W16-F221 HydrophobicContact CZ3-CZ 4.46Å; W16-F366 HydrophobicContact CZ2-CE2 4.26Å
17L92.1Very high93.8Very high22 Ų2222.5 Ų22.512%0.11514%0.136CC..Hα-helixtrans-60.5-45.9-177.8-82.4165000111.9P14 L15 K21 P149 N223 T227P14-L17 PolarHBondContact O-N 2.98Å; P14-L17 VanDerWaalsContact O-N 3.12Å; L15-L17 VanDerWaalsContact C-N 3.35Å; L15-L17 PolarHBondContact O-N 3.3Å; L17-K21 VanDerWaalsContact O-CB 3.24Å; L17-K21 WeakPolarHBondContact O-CB 3.4Å; L17-K21 PolarHBondContact O-N 2.89Å; L17-P149 HydrophobicContact CB-CB 4.35Å; L17-N223 WeakPolarHBondContact CD1-OD1 3.4Å; L17-N223 WeakPolarHBondContact CG-OD1 3.37Å; L17-T227 HydrophobicContact CD2-CG2 3.61Å
18W93.3Very high93.7Very high17 Ų1725.3 Ų25.36%0.06415%0.149CC..Hα-helixtrans-68.3-44.9-179.5173.158.1000112P14 L15 W16 K21 S22 F84 T150 N151 L154P14-W18 PolarHBondContact O-N 3.07Å; L15-W18 HydrophobicContact CD1-CE3 4.06Å; L15-W18 HydrophobicContact CD1-CZ3 4.29Å; L15-W18 PolarHBondContact O-N 2.86Å; W16-W18 PolarHBondContact O-N 2.98Å; W18-K21 PolarHBondContact O-N 3.05Å; W18-S22 PolarHBondContact NE1-OG 2.94Å; W18-S22 VanDerWaalsContact O-CB 3.26Å; W18-S22 WeakPolarHBondContact O-CB 3.27Å; W18-S22 PolarHBondContact O-N 3.48Å; W18-S22 PolarHBondContact O-OG 3.29Å; W18-F84 AromaticContact CH2-CD2 3.88Å; W18-F84 HydrophobicContact CH2-CD2 3.88Å; W18-F84 AromaticContact CH2-CE2 3.66Å; W18-F84 HydrophobicContact CH2-CE2 3.66Å; W18-F84 HydrophobicContact CH2-CZ 4.39Å; W18-F84 HydrophobicContact CZ3-CD2 4.02Å; W18-F84 AromaticContact CZ3-CE2 3.41Å; W18-F84 HydrophobicContact CZ3-CE2 3.41Å; W18-F84 VanDerWaalsContact CZ3-CE2 3.41Å; W18-F84 AromaticContact CZ3-CZ 3.7Å; W18-F84 HydrophobicContact CZ3-CZ 3.7Å; W18-T150 WeakPolarHBondContact CB-O 3.49Å; W18-N151 HydrophobicContact CZ2-CB 3.99Å; W18-L154 HydrophobicContact CD2-CD1 4.5Å; W18-L154 HydrophobicContact CE3-CD1 3.93Å; W18-L154 HydrophobicContact CE3-CD2 3.88Å; W18-L154 HydrophobicContact CH2-CD2 3.78Å; W18-L154 HydrophobicContact CZ3-CD1 4.26Å; W18-L154 HydrophobicContact CZ3-CD2 3.34Å; W18-L154 HydrophobicContact CZ3-CG 4.46Å
19L94.9Very high93.7Very high0 Ų023.5 Ų23.50%014%0.142CC..Hα-helixtrans-66.2-44.8179.6-67.8-178.9000112.1L15 W16 K21 S22 G23 F24 I29 F84L15-L19 HydrophobicContact CD1-CD1 3.81Å; L15-L19 HydrophobicContact CD1-CD2 4.41Å; L15-L19 HydrophobicContact CD1-CG 3.88Å; L15-L19 HydrophobicContact CD2-CD1 4.09Å; L15-L19 HydrophobicContact CG-CD1 3.63Å; L15-L19 HydrophobicContact CG-CG 4.06Å; L15-L19 WeakPolarHBondContact O-CG 3.47Å; L15-L19 PolarHBondContact O-N 3.24Å; W16-L19 PolarHBondContact O-N 2.88Å; L19-K21 PolarHBondContact O-N 3.48Å; L19-S22 CarbonylContact O-C 3.43Å; L19-S22 PolarHBondContact O-N 3Å; L19-S22 VanDerWaalsContact O-N 3.12Å; L19-G23 PolarHBondContact O-N 3.25Å; L19-F24 HydrophobicContact CB-CB 4.12Å; L19-F24 HydrophobicContact CB-CG 4.18Å; L19-F24 HydrophobicContact CD2-CD1 3.91Å; L19-F24 HydrophobicContact CD2-CD2 4.23Å; L19-F24 HydrophobicContact CD2-CE1 3.79Å; L19-F24 HydrophobicContact CD2-CE2 4.17Å; L19-F24 HydrophobicContact CD2-CG 4.13Å; L19-F24 HydrophobicContact CD2-CZ 3.94Å; L19-F24 WeakPolarHBondContact O-CB 3.21Å; L19-F24 PolarHBondContact O-N 2.89Å; L19-I29 HydrophobicContact CB-CD1 4.13Å; L19-I29 HydrophobicContact CB-CG1 3.74Å; L19-I29 HydrophobicContact CD1-CB 4.4Å; L19-I29 HydrophobicContact CD1-CG1 4.15Å; L19-I29 HydrophobicContact CD1-CG2 3.96Å; L19-F84 HydrophobicContact CD1-CE1 4.07Å; L19-F84 HydrophobicContact CD2-CD1 3.99Å; L19-F84 HydrophobicContact CD2-CE1 3.72Å; L19-F84 HydrophobicContact CD2-CZ 4.07Å; L19-F84 HydrophobicContact CG-CE1 4.47Å
20S91.8Very high93.8Very high48 Ų4823.4 Ų23.434%0.33614%0.141SC..Hα-helixtrans-59.2-47.7176.6176.70000111.1W16 S22 G23W16-S20 WeakPolarHBondContact O-CB 3.38Å; W16-S20 PolarHBondContact O-N 2.76Å; S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 2.94Å; S20-G23 PolarHBondContact O-N 2.8Å
21K90Very high93.8Very high148 Ų14827.4 Ų27.464%0.64316%0.157SC*.Hα-helixtrans-65.6-28.3176.2-171.9175.6178.2-176.90113.3L17 W18 L19 G23 P149L17-K21 VanDerWaalsContact O-CB 3.24Å; L17-K21 WeakPolarHBondContact O-CB 3.4Å; L17-K21 PolarHBondContact O-N 2.89Å; W18-K21 PolarHBondContact O-N 3.05Å; L19-K21 PolarHBondContact O-N 3.48Å; K21-G23 PolarHBondContact O-N 3.16Å; K21-P149 HydrophobicContact CD-CB 3.77Å
22S91.5Very high93.9Very high44 Ų4427.4 Ų27.431%0.30816%0.157SC..THydrogen-bonded Turntrans-78.7-0.7174.9-57.30000113.1W18 L19 S20W18-S22 PolarHBondContact NE1-OG 2.94Å; W18-S22 VanDerWaalsContact O-CB 3.26Å; W18-S22 WeakPolarHBondContact O-CB 3.27Å; W18-S22 PolarHBondContact O-N 3.48Å; W18-S22 PolarHBondContact O-OG 3.29Å; L19-S22 CarbonylContact O-C 3.43Å; L19-S22 PolarHBondContact O-N 3Å; L19-S22 VanDerWaalsContact O-N 3.12Å; S20-S22 VanDerWaalsContact C-N 3.26Å; S20-S22 PolarHBondContact O-N 2.94Å
23G90.8Very high93.9Very high64 Ų6427 Ų2766%0.6616%0.155SC*.THydrogen-bonded Turntrans89.915.7174.600000114.9L19 S20 K21L19-G23 PolarHBondContact O-N 3.25Å; S20-G23 PolarHBondContact O-N 2.8Å; K21-G23 PolarHBondContact O-N 3.16Å
24F94.1Very high94Very high13 Ų1326.3 Ų26.36%0.05715%0.151CC..  trans-74136.4175.5-73.3-129.2000109.6L19 E28 I29 T80 F81 F84L19-F24 HydrophobicContact CB-CB 4.12Å; L19-F24 HydrophobicContact CB-CG 4.18Å; L19-F24 HydrophobicContact CD2-CD1 3.91Å; L19-F24 HydrophobicContact CD2-CD2 4.23Å; L19-F24 HydrophobicContact CD2-CE1 3.79Å; L19-F24 HydrophobicContact CD2-CE2 4.17Å; L19-F24 HydrophobicContact CD2-CG 4.13Å; L19-F24 HydrophobicContact CD2-CZ 3.94Å; L19-F24 WeakPolarHBondContact O-CB 3.21Å; L19-F24 PolarHBondContact O-N 2.89Å; F24-E28 HydrophobicContact CB-CB 4.34Å; F24-E28 HydrophobicContact CD1-CB 4.18Å; F24-I29 HydrophobicContact CB-CD1 4.45Å; F24-I29 HydrophobicContact CB-CG1 3.87Å; F24-T80 VanDerWaalsContact CZ-C 3.45Å; F24-F81 HydrophobicContact CD1-CB 3.97Å; F24-F81 AromaticContact CD1-CD2 3.99Å; F24-F81 HydrophobicContact CD1-CD2 3.99Å; F24-F81 HydrophobicContact CD1-CG 4.47Å; F24-F81 HydrophobicContact CE1-CB 3.71Å; F24-F81 AromaticContact CE1-CD2 3.92Å; F24-F81 HydrophobicContact CE1-CD2 3.92Å; F24-F81 HydrophobicContact CE1-CG 4.33Å; F24-F81 HydrophobicContact CZ-CB 4.37Å; F24-F84 HydrophobicContact CE1-CB 3.98Å; F24-F84 AromaticContact CE1-CD1 3.87Å; F24-F84 HydrophobicContact CE1-CD1 3.87Å; F24-F84 HydrophobicContact CE1-CG 4.17Å; F24-F84 HydrophobicContact CZ-CB 3.85Å; F24-F84 HydrophobicContact CZ-CD1 4.33Å; F24-F84 HydrophobicContact CZ-CG 4.2Å
25S93.5Very high94.1Very high40 Ų4026.3 Ų26.328%0.2815%0.15SC..  trans-66.3157.217362.20000111.7G27 E28 I29S25-G27 PolarHBondContact O-N 3.08Å; S25-E28 WeakPolarHBondContact CB-OE2 3.31Å; S25-E28 PolarHBondContact N-OE2 3.44Å; S25-E28 PolarHBondContact O-N 2.89Å; S25-E28 VanDerWaalsContact O-N 3.07Å; S25-E28 WeakPolarHBondContact OG-CB 3.35Å; S25-E28 WeakPolarHBondContact OG-CG 3.42Å; S25-E28 PolarHBondContact OG-N 3.29Å; S25-E28 PolarHBondContact OG-OE2 3.02Å; S25-I29 WeakPolarHBondContact O-CG1 3.45Å; S25-I29 PolarHBondContact O-N 3.2Å
26A92.1Very high94Very high5 Ų526.7 Ų26.74%0.04115%0.153CC..Hα-helixtrans-60-32.7178.300000112.8W16 G30 G348 M351 E352 F366W16-A26 HydrophobicContact CH2-CB 3.88Å; A26-G30 PolarHBondContact O-N 2.85Å; A26-G348 WeakPolarHBondContact O-CA 3.47Å; A26-M351 HydrophobicContact CB-CB 3.87Å; A26-M351 HydrophobicContact CB-CG 3.79Å; A26-E352 HydrophobicContact CB-CB 4.1Å; A26-F366 HydrophobicContact CB-CE1 4.18Å; A26-F366 HydrophobicContact CB-CZ 4.21Å
27G93.8Very high94Very high4 Ų426.6 Ų26.64%0.04115%0.152CC..Hα-helixtrans-67.1-40.1172.700000113.7S25 G30 W31 E352S25-G27 PolarHBondContact O-N 3.08Å; G27-G30 PolarHBondContact O-N 3.2Å; G27-W31 VanDerWaalsContact O-CD1 3.31Å; G27-W31 PolarHBondContact O-N 3.48Å; G27-E352 WeakPolarHBondContact CA-OE2 3.38Å; G27-E352 PolarHBondContact N-OE2 2.98Å
28E96.4Very high94.1Very high59 Ų5927.2 Ų27.228%0.27616%0.156SC..Hα-helixtrans-67.5-38.4175-74.1168.2141.300112.1F24 S25 W31 S32 F81F24-E28 HydrophobicContact CB-CB 4.34Å; F24-E28 HydrophobicContact CD1-CB 4.18Å; S25-E28 WeakPolarHBondContact CB-OE2 3.31Å; S25-E28 PolarHBondContact N-OE2 3.44Å; S25-E28 PolarHBondContact O-N 2.89Å; S25-E28 VanDerWaalsContact O-N 3.07Å; S25-E28 WeakPolarHBondContact OG-CB 3.35Å; S25-E28 WeakPolarHBondContact OG-CG 3.42Å; S25-E28 PolarHBondContact OG-N 3.29Å; S25-E28 PolarHBondContact OG-OE2 3.02Å; E28-W31 PolarHBondContact O-N 3.05Å; E28-S32 PolarHBondContact O-N 3.4Å; E28-S32 PolarHBondContact O-OG 3.1Å; E28-F81 HydrophobicContact CB-CB 4.4Å; E28-F81 HydrophobicContact CB-CD2 3.55Å; E28-F81 HydrophobicContact CB-CE2 3.87Å; E28-F81 HydrophobicContact CB-CG 3.92Å; E28-F81 HydrophobicContact CB-CZ 4.5Å; E28-F81 HydrophobicContact CG-CB 4.04Å; E28-F81 HydrophobicContact CG-CD1 3.83Å; E28-F81 HydrophobicContact CG-CD2 3.76Å; E28-F81 HydrophobicContact CG-CE1 4.2Å; E28-F81 HydrophobicContact CG-CE2 4.12Å; E28-F81 HydrophobicContact CG-CG 3.6Å; E28-F81 HydrophobicContact CG-CZ 4.34Å; E28-F81 WeakPolarHBondContact O-CE2 3.43Å; E28-F81 VanDerWaalsContact OE1-CB 3.24Å; E28-F81 WeakPolarHBondContact OE1-CB 3.19Å
29I95.2Very high94.1Very high1 Ų126.4 Ų26.41%0.00515%0.153CC..Hα-helixtrans-64.9-43.8172.8-57.4167.6000110W16 L19 F24 S25 W31 S32 Y33 I220W16-I29 HydrophobicContact CD2-CD1 4.04Å; W16-I29 HydrophobicContact CD2-CG2 4.06Å; W16-I29 HydrophobicContact CE3-CB 3.79Å; W16-I29 HydrophobicContact CE3-CD1 3.83Å; W16-I29 HydrophobicContact CE3-CG1 4.37Å; W16-I29 HydrophobicContact CE3-CG2 3.07Å; W16-I29 HydrophobicContact CH2-CB 4.12Å; W16-I29 HydrophobicContact CH2-CD1 3.58Å; W16-I29 HydrophobicContact CH2-CG1 4.43Å; W16-I29 HydrophobicContact CH2-CG2 4.31Å; W16-I29 HydrophobicContact CZ2-CD1 3.87Å; W16-I29 HydrophobicContact CZ3-CB 3.39Å; W16-I29 HydrophobicContact CZ3-CD1 3.59Å; W16-I29 HydrophobicContact CZ3-CG1 4.07Å; W16-I29 HydrophobicContact CZ3-CG2 3.23Å; L19-I29 HydrophobicContact CB-CD1 4.13Å; L19-I29 HydrophobicContact CB-CG1 3.74Å; L19-I29 HydrophobicContact CD1-CB 4.4Å; L19-I29 HydrophobicContact CD1-CG1 4.15Å; L19-I29 HydrophobicContact CD1-CG2 3.96Å; F24-I29 HydrophobicContact CB-CD1 4.45Å; F24-I29 HydrophobicContact CB-CG1 3.87Å; S25-I29 WeakPolarHBondContact O-CG1 3.45Å; S25-I29 PolarHBondContact O-N 3.2Å; I29-W31 VanDerWaalsContact C-N 3.28Å; I29-W31 PolarHBondContact O-N 3.42Å; I29-S32 WeakPolarHBondContact O-CA 3.39Å; I29-S32 VanDerWaalsContact O-CB 3.28Å; I29-S32 WeakPolarHBondContact O-CB 3.44Å; I29-S32 PolarHBondContact O-N 2.98Å; I29-Y33 HydrophobicContact CG2-CD2 3.76Å; I29-Y33 HydrophobicContact CG2-CE2 3.66Å; I29-Y33 WeakPolarHBondContact O-CD2 3.39Å; I29-Y33 PolarHBondContact O-N 2.87Å; I29-I220 HydrophobicContact CG2-CG2 4.49Å
30G95.5Very high93.8Very high0 Ų027.6 Ų27.60%016%0.163CC..Hα-helixtrans-53.7-43.817300000112.8A26 G27 S32 Y33 A34A26-G30 PolarHBondContact O-N 2.85Å; G27-G30 PolarHBondContact O-N 3.2Å; G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 2.99Å; G30-Y33 PolarHBondContact O-N 3.38Å; G30-A34 WeakPolarHBondContact O-CB 3.29Å; G30-A34 PolarHBondContact O-N 3.16Å
31W95.8Very high93.8Very high84 Ų8426.6 Ų26.632%0.31815%0.153SC..Hα-helixtrans-64.6-34.1173.8-85.5114.4000113.7G27 E28 I29 A34 C35 I38 F81 F85G27-W31 VanDerWaalsContact O-CD1 3.31Å; G27-W31 PolarHBondContact O-N 3.48Å; E28-W31 PolarHBondContact O-N 3.05Å; I29-W31 VanDerWaalsContact C-N 3.28Å; I29-W31 PolarHBondContact O-N 3.42Å; W31-A34 HydrophobicContact CE3-CB 4.15Å; W31-A34 WeakPolarHBondContact O-CB 3.47Å; W31-A34 PolarHBondContact O-N 3.49Å; W31-C35 PolarHBondContact O-N 2.98Å; W31-I38 HydrophobicContact CZ3-CD1 4.34Å; W31-F81 HydrophobicContact CB-CE2 3.93Å; W31-F81 HydrophobicContact CB-CZ 3.78Å; W31-F81 HydrophobicContact CG-CZ 4.32Å; W31-F85 HydrophobicContact CB-CD2 4.24Å; W31-F85 HydrophobicContact CB-CE2 4.13Å; W31-F85 HydrophobicContact CE3-CE2 4.13Å; W31-F85 HydrophobicContact CE3-CZ 4.31Å
32S96.4Very high93.7Very high0 Ų023 Ų230%014%0.14CC..Hα-helixtrans-64.7-42.6176.8-58.30000111.7E28 I29 G30 C35 L88E28-S32 PolarHBondContact O-N 3.4Å; E28-S32 PolarHBondContact O-OG 3.1Å; I29-S32 WeakPolarHBondContact O-CA 3.39Å; I29-S32 VanDerWaalsContact O-CB 3.28Å; I29-S32 WeakPolarHBondContact O-CB 3.44Å; I29-S32 PolarHBondContact O-N 2.98Å; G30-S32 VanDerWaalsContact C-N 3.33Å; G30-S32 PolarHBondContact O-N 2.99Å; S32-C35 WeakPolarHBondContact O-CB 3.43Å; S32-C35 PolarHBondContact O-N 3.26Å; S32-L88 WeakPolarHBondContact O-CD2 3.41Å
33Y96Very high93.2Very high0 Ų021.5 Ų21.50%013%0.13CC..Hα-helixtrans-69.1-34.9172.8-80.2-95.7000112.2F12 L15 W16 I29 G30 C35 T36 Y219 I220F12-Y33 HydrophobicContact CD1-CE1 4.2Å; F12-Y33 HydrophobicContact CD2-CD1 4.04Å; F12-Y33 HydrophobicContact CD2-CE1 4.04Å; F12-Y33 HydrophobicContact CE1-CD1 4.16Å; F12-Y33 AromaticContact CE1-CE1 3.96Å; F12-Y33 HydrophobicContact CE1-CE1 3.96Å; F12-Y33 AromaticContact CE2-CD1 3.41Å; F12-Y33 HydrophobicContact CE2-CD1 3.41Å; F12-Y33 VanDerWaalsContact CE2-CD1 3.41Å; F12-Y33 AromaticContact CE2-CE1 3.8Å; F12-Y33 HydrophobicContact CE2-CE1 3.8Å; F12-Y33 HydrophobicContact CE2-CG 4.49Å; F12-Y33 HydrophobicContact CG-CE1 4.24Å; F12-Y33 AromaticContact CZ-CD1 3.48Å; F12-Y33 HydrophobicContact CZ-CD1 3.48Å; F12-Y33 VanDerWaalsContact CZ-CD1 3.48Å; F12-Y33 AromaticContact CZ-CE1 3.76Å; F12-Y33 HydrophobicContact CZ-CE1 3.76Å; F12-Y33 WeakPolarHBondContact O-CE1 3.3Å; F12-Y33 PolarHBondContact O-OH 3.37Å; L15-Y33 HydrophobicContact CB-CE2 4.22Å; L15-Y33 HydrophobicContact CD2-CD2 4.05Å; L15-Y33 HydrophobicContact CD2-CE1 4.47Å; L15-Y33 HydrophobicContact CD2-CE2 3.76Å; L15-Y33 HydrophobicContact CG-CE2 4.16Å; W16-Y33 HydrophobicContact CB-CE2 4.47Å; W16-Y33 HydrophobicContact CE3-CE2 4.49Å; W16-Y33 PolarHBondContact N-OH 3.46Å; I29-Y33 HydrophobicContact CG2-CD2 3.76Å; I29-Y33 HydrophobicContact CG2-CE2 3.66Å; I29-Y33 WeakPolarHBondContact O-CD2 3.39Å; I29-Y33 PolarHBondContact O-N 2.87Å; G30-Y33 PolarHBondContact O-N 3.38Å; Y33-C35 PolarHBondContact O-N 3.19Å; Y33-C35 VanDerWaalsContact O-N 3.17Å; Y33-T36 PolarHBondContact O-N 2.83Å; Y33-T36 VanDerWaalsContact O-N 3.11Å; Y33-T36 PolarHBondContact O-OG1 3.39Å; Y33-Y219 WeakPolarHBondContact CE1-O 3.5Å; Y33-I220 HydrophobicContact CD1-CG1 4.1Å; Y33-I220 HydrophobicContact CD2-CB 4.45Å; Y33-I220 HydrophobicContact CD2-CG1 3.96Å; Y33-I220 HydrophobicContact CD2-CG2 4.24Å; Y33-I220 HydrophobicContact CE2-CG2 4.33Å; Y33-I220 HydrophobicContact CG-CG1 3.7Å
34A96.3Very high92.5Very high0 Ų020.7 Ų20.70%011%0.113CC..Hα-helixtrans-60.1-23.217700000114.3G30 W31 T36 A37 I38 L341 Y344G30-A34 WeakPolarHBondContact O-CB 3.29Å; G30-A34 PolarHBondContact O-N 3.16Å; W31-A34 HydrophobicContact CE3-CB 4.15Å; W31-A34 WeakPolarHBondContact O-CB 3.47Å; W31-A34 PolarHBondContact O-N 3.49Å; A34-T36 PolarHBondContact O-N 3.34Å; A34-A37 PolarHBondContact O-N 2.98Å; A34-I38 WeakPolarHBondContact O-CG1 3.35Å; A34-I38 PolarHBondContact O-N 2.88Å; A34-L341 HydrophobicContact CB-CD1 3.74Å; A34-Y344 HydrophobicContact CB-CD2 4.33Å
35C96.3Very high91.6Very high0 Ų022.5 Ų22.50%012%0.123CC..Hα-helixtrans-52.5-37172.5-68.20000112.6W31 S32 Y33 A39 F85 L88 L89 S92W31-C35 PolarHBondContact O-N 2.98Å; S32-C35 WeakPolarHBondContact O-CB 3.43Å; S32-C35 PolarHBondContact O-N 3.26Å; Y33-C35 PolarHBondContact O-N 3.19Å; Y33-C35 VanDerWaalsContact O-N 3.17Å; C35-A39 VanDerWaalsContact O-CB 3.28Å; C35-A39 WeakPolarHBondContact O-CB 3.4Å; C35-A39 PolarHBondContact O-N 3.1Å; C35-F85 VanDerWaalsContact SG-CE2 3.53Å; C35-L88 HydrophobicContact CB-CD2 4.47Å; C35-L88 HydrophobicContact CB-CG 4.32Å; C35-L89 HydrophobicContact CB-CD1 4.32Å; C35-S92 WeakPolarHBondContact CB-OG 3.41Å; C35-S92 WeakPolarHBondContact O-CB 3.1Å
36T93.4Very high90.6Very high8 Ų823.4 Ų23.45%0.04912%0.124CC..Hα-helixtrans-67-41.7177.861.20000112.3W11 F12 Y33 A34 A39 A40 M96W11-T36 HydrophobicContact CH2-CG2 3.64Å; W11-T36 HydrophobicContact CZ2-CG2 3.97Å; F12-T36 HydrophobicContact CD2-CG2 4.15Å; F12-T36 HydrophobicContact CE2-CG2 3.86Å; Y33-T36 PolarHBondContact O-N 2.83Å; Y33-T36 VanDerWaalsContact O-N 3.11Å; Y33-T36 PolarHBondContact O-OG1 3.39Å; A34-T36 PolarHBondContact O-N 3.34Å; T36-A39 PolarHBondContact O-N 2.85Å; T36-A40 WeakPolarHBondContact O-CB 3.29Å; T36-A40 PolarHBondContact O-N 3.09Å; T36-M96 HydrophobicContact CG2-CE 3.79Å
37A94.4Very high89.5Confident1 Ų124 Ų241%0.00813%0.127CC..Hα-helixtrans-69.7-41.2178.200000112.1A34 A39 A40 I41 L341 Y344A34-A37 PolarHBondContact O-N 2.98Å; A37-A39 VanDerWaalsContact C-N 3.32Å; A37-A39 PolarHBondContact O-N 3.41Å; A37-A40 PolarHBondContact O-N 3.49Å; A37-I41 WeakPolarHBondContact O-CG1 3.38Å; A37-I41 PolarHBondContact O-N 3.5Å; A37-L341 HydrophobicContact CB-CB 3.85Å; A37-Y344 HydrophobicContact CB-CD2 4.11Å; A37-Y344 HydrophobicContact CB-CE2 4.09Å
38I95.1Very high88Confident36 Ų3624.4 Ų24.419%0.18513%0.132CC..Hα-helixtrans-61-45.4174.7-64.3165.4000110.1W31 A34 A40 I41 L42 L89 L341W31-I38 HydrophobicContact CZ3-CD1 4.34Å; A34-I38 WeakPolarHBondContact O-CG1 3.35Å; A34-I38 PolarHBondContact O-N 2.88Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.12Å; I38-I41 PolarHBondContact O-N 2.91Å; I38-L42 HydrophobicContact CG2-CD1 4.17Å; I38-L42 PolarHBondContact O-N 3.39Å; I38-L89 HydrophobicContact CB-CD1 4.06Å; I38-L89 HydrophobicContact CD1-CD1 4.3Å; I38-L89 HydrophobicContact CG2-CD1 3.81Å; I38-L341 HydrophobicContact CD1-CD1 4.32Å; I38-L341 HydrophobicContact CG1-CD1 3.92Å; I38-L341 HydrophobicContact CG1-CD2 4.35Å
39A92.5Very high86.4Confident0 Ų023.2 Ų23.20%013%0.13CC..Hα-helixtrans-66.4-35.5177.300000112.4C35 T36 A37 I41 L42 S43 S92 L93 M96C35-A39 VanDerWaalsContact O-CB 3.28Å; C35-A39 WeakPolarHBondContact O-CB 3.4Å; C35-A39 PolarHBondContact O-N 3.1Å; T36-A39 PolarHBondContact O-N 2.85Å; A37-A39 VanDerWaalsContact C-N 3.32Å; A37-A39 PolarHBondContact O-N 3.41Å; A39-I41 VanDerWaalsContact C-N 3.33Å; A39-I41 PolarHBondContact O-N 2.89Å; A39-L42 PolarHBondContact O-N 3.3Å; A39-S43 WeakPolarHBondContact O-CA 3.38Å; A39-S43 WeakPolarHBondContact O-CB 3.44Å; A39-S43 PolarHBondContact O-N 3.06Å; A39-S92 VanDerWaalsContact CB-O 3.26Å; A39-S92 WeakPolarHBondContact CB-O 3.27Å; A39-L93 HydrophobicContact CB-CD2 4.01Å; A39-L93 HydrophobicContact CB-CG 4.31Å; A39-M96 HydrophobicContact CB-CB 3.95Å; A39-M96 HydrophobicContact CB-CG 3.55Å
40A89.4Confident84.8Confident25 Ų2526.4 Ų26.421%0.20715%0.146CC..Hα-helixtrans-62.9-36.9173.800000112.6T36 A37 I38 P44T36-A40 WeakPolarHBondContact O-CB 3.29Å; T36-A40 PolarHBondContact O-N 3.09Å; A37-A40 PolarHBondContact O-N 3.49Å; I38-A40 VanDerWaalsContact C-N 3.34Å; I38-A40 PolarHBondContact O-N 3.12Å; A40-P44 VanDerWaalsContact O-CD 3.27Å; A40-P44 WeakPolarHBondContact O-CD 3.14Å
41I90.6Very high83Confident27 Ų2726.7 Ų26.714%0.13815%0.148CC..Hα-helixtrans-64.8-41.4174.7-66.9164.4000111.2A37 I38 A39 L333 G337 F338 L341A37-I41 WeakPolarHBondContact O-CG1 3.38Å; A37-I41 PolarHBondContact O-N 3.5Å; I38-I41 PolarHBondContact O-N 2.91Å; A39-I41 VanDerWaalsContact C-N 3.33Å; A39-I41 PolarHBondContact O-N 2.89Å; I41-L333 HydrophobicContact CB-CD1 4.29Å; I41-L333 HydrophobicContact CG1-CD1 4.19Å; I41-L333 HydrophobicContact CG2-CD1 4.13Å; I41-G337 VanDerWaalsContact CG1-CA 3.47Å; I41-F338 HydrophobicContact CD1-CD1 3.99Å; I41-F338 HydrophobicContact CD1-CE1 4.04Å; I41-F338 HydrophobicContact CD1-CG 4.34Å; I41-F338 HydrophobicContact CD1-CZ 4.43Å; I41-F338 HydrophobicContact CG2-CZ 4.41Å; I41-L341 HydrophobicContact CD1-CD2 4.09Å
42L88Confident81.1Confident72 Ų7226 Ų2638%0.37715%0.151SC..Hα-helixtrans-87.5-20.8-175.1-64.5175.6000113.5I38 A39 I45 L46 L93I38-L42 HydrophobicContact CG2-CD1 4.17Å; I38-L42 PolarHBondContact O-N 3.39Å; A39-L42 PolarHBondContact O-N 3.3Å; L42-I45 WeakPolarHBondContact O-CB 3.45Å; L42-I45 PolarHBondContact O-N 3.47Å; L42-I45 VanDerWaalsContact O-N 3.16Å; L42-L46 PolarHBondContact O-N 2.94Å; L42-L46 VanDerWaalsContact O-N 3.1Å; L42-L93 HydrophobicContact CB-CD2 3.97Å; L42-L93 HydrophobicContact CD1-CD2 3.8Å
43S82.5Confident79.3Confident12 Ų1229.6 Ų29.68%0.08416%0.164CC..Hα-helixtrans-56.5-47.5-174.7171.60000113.8A39 I45 L46 V47 P97A39-S43 WeakPolarHBondContact O-CA 3.38Å; A39-S43 WeakPolarHBondContact O-CB 3.44Å; A39-S43 PolarHBondContact O-N 3.06Å; S43-I45 PolarHBondContact O-N 3.32Å; S43-L46 PolarHBondContact O-N 3.5Å; S43-L46 VanDerWaalsContact O-N 3.07Å; S43-V47 WeakPolarHBondContact O-CG2 3.19Å; S43-V47 PolarHBondContact O-N 3Å; S43-P97 VanDerWaalsContact OG-CA 3.32Å; S43-P97 WeakPolarHBondContact OG-CA 2.92Å
44P76.1Confident78Confident48 Ų4836.3 Ų36.331%0.31219%0.194SC..Hα-helixtrans-56.1-37.6178-26.134.9000113.2A40 G48 M187A40-P44 VanDerWaalsContact O-CD 3.27Å; A40-P44 WeakPolarHBondContact O-CD 3.14Å; P44-G48 PolarHBondContact O-N 3.35Å; P44-M187 WeakPolarHBondContact O-CE 3.41Å
45I75.4Confident77.3Confident51 Ų5142.1 Ų42.126%0.26222%0.219SC..Hα-helixtrans-68.3-43.8177.7-54.8173.3000110.2L42 S43 S49 L188L42-I45 WeakPolarHBondContact O-CB 3.45Å; L42-I45 PolarHBondContact O-N 3.47Å; L42-I45 VanDerWaalsContact O-N 3.16Å; S43-I45 PolarHBondContact O-N 3.32Å; I45-S49 VanDerWaalsContact O-CB 3.24Å; I45-S49 WeakPolarHBondContact O-CB 3.4Å; I45-S49 PolarHBondContact O-N 3.23Å; I45-S49 VanDerWaalsContact O-N 3.13Å; I45-S49 PolarHBondContact O-OG 3.09Å; I45-L188 HydrophobicContact CD1-CD2 4.38Å; I45-L188 HydrophobicContact CG1-CD2 4.33Å
46L72Confident76.8Confident58 Ų5842.5 Ų42.530%0.30422%0.222SC..Hα-helixtrans-66.7-45.8178.9-67.7172.6000112.2L42 S43 S49 I50 L93 P97L42-L46 PolarHBondContact O-N 2.94Å; L42-L46 VanDerWaalsContact O-N 3.1Å; S43-L46 PolarHBondContact O-N 3.5Å; S43-L46 VanDerWaalsContact O-N 3.07Å; L46-S49 PolarHBondContact O-OG 3.43Å; L46-S49 VanDerWaalsContact O-OG 3.08Å; L46-I50 WeakPolarHBondContact O-CB 3.28Å; L46-I50 VanDerWaalsContact O-CG1 3.26Å; L46-I50 WeakPolarHBondContact O-CG1 3.39Å; L46-I50 PolarHBondContact O-N 3.45Å; L46-I50 VanDerWaalsContact O-N 3.17Å; L46-L93 HydrophobicContact CD1-CD2 4.04Å; L46-P97 HydrophobicContact CB-CG 4.38Å; L46-P97 HydrophobicContact CD1-CG 4.35Å
47V68.7Low76.6Confident18 Ų1842.7 Ų42.711%0.10922%0.224CC..Hα-helixtrans-63-56.4179.3175.20000109.9S43 S49 I50 T51 P97 A100S43-V47 WeakPolarHBondContact O-CG2 3.19Å; S43-V47 PolarHBondContact O-N 3Å; V47-S49 PolarHBondContact O-N 2.94Å; V47-I50 PolarHBondContact O-N 3.12Å; V47-I50 VanDerWaalsContact O-N 3.14Å; V47-T51 WeakPolarHBondContact CG1-OG1 3.44Å; V47-T51 PolarHBondContact O-N 3.39Å; V47-T51 PolarHBondContact O-OG1 2.69Å; V47-P97 HydrophobicContact CG2-CB 3.55Å; V47-P97 HydrophobicContact CG2-CG 4.34Å; V47-A100 HydrophobicContact CG2-CB 4.47Å
48G61.7Low76.4Confident13 Ų1343.1 Ų43.113%0.13423%0.226CC..Hα-helixtrans-70.6-18.3-174.200000114.2P44P44-G48 PolarHBondContact O-N 3.35Å
49S63.1Low76.2Confident34 Ų3446.9 Ų46.924%0.23824%0.241CC..Hα-helixtrans-80.8-31.2171.158.90000113.6I45 L46 V47I45-S49 VanDerWaalsContact O-CB 3.24Å; I45-S49 WeakPolarHBondContact O-CB 3.4Å; I45-S49 PolarHBondContact O-N 3.23Å; I45-S49 VanDerWaalsContact O-N 3.13Å; I45-S49 PolarHBondContact O-OG 3.09Å; L46-S49 PolarHBondContact O-OG 3.43Å; L46-S49 VanDerWaalsContact O-OG 3.08Å; V47-S49 PolarHBondContact O-N 2.94Å
50I61.9Low76.1Confident68 Ų6847.5 Ų47.535%0.34924%0.244SC..Hα-helixtrans-101.3-49.8-170.9-61.2171.5000112.9L46 V47 F55 V60L46-I50 WeakPolarHBondContact O-CB 3.28Å; L46-I50 VanDerWaalsContact O-CG1 3.26Å; L46-I50 WeakPolarHBondContact O-CG1 3.39Å; L46-I50 PolarHBondContact O-N 3.45Å; L46-I50 VanDerWaalsContact O-N 3.17Å; V47-I50 PolarHBondContact O-N 3.12Å; V47-I50 VanDerWaalsContact O-N 3.14Å; I50-F55 HydrophobicContact CG2-CD2 4.44Å; I50-V60 HydrophobicContact CG2-CG1 4.1Å; I50-V60 HydrophobicContact CG2-CG2 4.35Å
51T57.3Low76.3Confident6 Ų646.3 Ų46.34%0.03724%0.235CC..THydrogen-bonded Turntrans-92.1-38.6-163.750.20000114.1V47 R53 V60 L101V47-T51 WeakPolarHBondContact CG1-OG1 3.44Å; V47-T51 PolarHBondContact O-N 3.39Å; V47-T51 PolarHBondContact O-OG1 2.69Å; T51-R53 PolarHBondContact O-N 2.79Å; T51-R53 VanDerWaalsContact O-N 3.12Å; T51-V60 HydrophobicContact CG2-CB 3.54Å; T51-V60 HydrophobicContact CG2-CG1 3.43Å; T51-V60 VanDerWaalsContact CG2-CG1 3.43Å; T51-V60 HydrophobicContact CG2-CG2 3.6Å; T51-L101 HydrophobicContact CG2-CD1 4.06Å; T51-L101 HydrophobicContact CG2-CD2 3.32Å; T51-L101 HydrophobicContact CG2-CG 4.24Å
52D55.5Low76.5Confident70 Ų7045 Ų4537%0.37423%0.228SC..THydrogen-bonded Turntrans-74.2-11.5-168.4-69.7-12.1000113.2P176 K177 S178D52-P176 WeakPolarHBondContact O-CB 3.26Å; D52-K177 PolarHBondContact O-N 3.24Å; D52-K177 VanDerWaalsContact O-N 3.15Å; D52-S178 PolarHBondContact O-N 2.88Å
53R59.9Low76.7Confident75 Ų7546 Ų4628%0.28324%0.237SC..THydrogen-bonded Turntrans-124.3-36.6-170.6-48.2-175.193-165.5-2.3114.6T51 S178 T179 G180T51-R53 PolarHBondContact O-N 2.79Å; T51-R53 VanDerWaalsContact O-N 3.12Å; R53-S178 WeakPolarHBondContact CG-O 3.39Å; R53-T179 PolarHBondContact NH2-O 3.45Å; R53-G180 PolarHBondContact NE-O 3.04Å; R53-G180 PolarHBondContact NH1-O 3.32Å; R53-G180 PolarHBondContact NH2-O 2.99Å
54F68.8Low77.3Confident141 Ų14147 Ų4762%0.61824%0.241SC*.THydrogen-bonded Turntrans-112.7-31.2-166.3-61.2-69.3000115.3
55F81.4Confident78.3Confident121 Ų12144.8 Ų44.853%0.53123%0.227SC..SBendtrans-138.8147.9-168.7-60.1-71.7000111.6I50 V60I50-F55 HydrophobicContact CG2-CD2 4.44Å; F55-V60 HydrophobicContact CB-CG2 3.47Å; F55-V60 VanDerWaalsContact CB-CG2 3.47Å; F55-V60 HydrophobicContact CG-CG2 4.37Å
56S85.7Confident79.4Confident9 Ų945.8 Ų45.86%0.06323%0.229CC..  trans-66.6137.7176.465.60000111.1Q58 K59 V60 D173 T174S56-Q58 VanDerWaalsContact C-N 3.25Å; S56-Q58 VanDerWaalsContact CB-OE1 3.24Å; S56-Q58 PolarHBondContact O-N 2.68Å; S56-Q58 VanDerWaalsContact O-N 3.16Å; S56-Q58 PolarHBondContact OG-NE2 3.31Å; S56-Q58 PolarHBondContact OG-OE1 3.3Å; S56-K59 PolarHBondContact O-N 3.27Å; S56-K59 WeakPolarHBondContact OG-CD 3.38Å; S56-K59 WeakPolarHBondContact OG-CE 3.2Å; S56-K59 VanDerWaalsContact OG-CG 3.22Å; S56-K59 WeakPolarHBondContact OG-CG 3.41Å; S56-V60 PolarHBondContact O-N 2.95Å; S56-V60 VanDerWaalsContact O-N 3.16Å; S56-D173 WeakPolarHBondContact CB-OD1 3.2Å; S56-T174 CarbonylContact C-O 3.6Å; S56-T174 VanDerWaalsContact CA-O 3.28Å; S56-T174 WeakPolarHBondContact CA-O 3.26Å; S56-T174 WeakPolarHBondContact CB-O 3.47Å
57A87.7Confident80.5Confident11 Ų1144.7 Ų44.79%0.09123%0.229CC..Hα-helixtrans-58.4-37.2-167.600000112.7V60 L61 L101 I105 T174A57-V60 PolarHBondContact O-N 2.88Å; A57-L61 WeakPolarHBondContact O-CB 3.49Å; A57-L61 PolarHBondContact O-N 3.2Å; A57-L101 HydrophobicContact CB-CD2 4.02Å; A57-I105 HydrophobicContact CB-CD1 4.29Å; A57-I105 HydrophobicContact CB-CG1 3.82Å; A57-T174 HydrophobicContact CB-CG2 4.07Å; A57-T174 PolarHBondContact N-O 3.31Å
58Q90.6Very high81.9Confident11 Ų1144 Ų445%0.05123%0.225CC..Hα-helixtrans-69.8-31.2178.881.2-70.2-3.600113.2S56 A62 I105 A168 L171 D173S56-Q58 VanDerWaalsContact C-N 3.25Å; S56-Q58 VanDerWaalsContact CB-OE1 3.24Å; S56-Q58 PolarHBondContact O-N 2.68Å; S56-Q58 VanDerWaalsContact O-N 3.16Å; S56-Q58 PolarHBondContact OG-NE2 3.31Å; S56-Q58 PolarHBondContact OG-OE1 3.3Å; Q58-A62 PolarHBondContact O-N 3.18Å; Q58-I105 HydrophobicContact CB-CD1 4.04Å; Q58-A168 WeakPolarHBondContact CB-O 3.26Å; Q58-L171 HydrophobicContact CB-CB 4.06Å; Q58-D173 PolarHBondContact NE2-OD1 2.96Å
59K91Very high83.6Confident115 Ų11543.8 Ų43.850%0.522%0.222SC..Hα-helixtrans-71.7-41174.5-69.8178-167.6166.40110.9S56 A62 V63S56-K59 PolarHBondContact O-N 3.27Å; S56-K59 WeakPolarHBondContact OG-CD 3.38Å; S56-K59 WeakPolarHBondContact OG-CE 3.2Å; S56-K59 VanDerWaalsContact OG-CG 3.22Å; S56-K59 WeakPolarHBondContact OG-CG 3.41Å; K59-A62 WeakPolarHBondContact O-CB 3.36Å; K59-A62 PolarHBondContact O-N 3.35Å; K59-V63 WeakPolarHBondContact O-CG2 3.4Å; K59-V63 PolarHBondContact O-N 3.46Å
60V90.7Very high85.3Confident12 Ų1247.3 Ų47.37%0.07324%0.238CC..Hα-helixtrans-65.2-43.6175.7-177.20000110.6I50 T51 F55 S56 A57 A62 V63 L64 L101I50-V60 HydrophobicContact CG2-CG1 4.1Å; I50-V60 HydrophobicContact CG2-CG2 4.35Å; T51-V60 HydrophobicContact CG2-CB 3.54Å; T51-V60 HydrophobicContact CG2-CG1 3.43Å; T51-V60 VanDerWaalsContact CG2-CG1 3.43Å; T51-V60 HydrophobicContact CG2-CG2 3.6Å; F55-V60 HydrophobicContact CB-CG2 3.47Å; F55-V60 VanDerWaalsContact CB-CG2 3.47Å; F55-V60 HydrophobicContact CG-CG2 4.37Å; S56-V60 PolarHBondContact O-N 2.95Å; S56-V60 VanDerWaalsContact O-N 3.16Å; A57-V60 PolarHBondContact O-N 2.88Å; V60-A62 VanDerWaalsContact C-N 3.29Å; V60-A62 PolarHBondContact O-N 3.45Å; V60-V63 PolarHBondContact O-N 3.05Å; V60-L64 HydrophobicContact CG1-CD1 3.86Å; V60-L64 HydrophobicContact CG1-CG 4.06Å; V60-L64 WeakPolarHBondContact O-CB 3.32Å; V60-L64 WeakPolarHBondContact O-CG 3.24Å; V60-L64 PolarHBondContact O-N 2.65Å; V60-L101 HydrophobicContact CB-CD1 4.48Å; V60-L101 HydrophobicContact CG1-CD1 4.11Å
61L93.1Very high87Confident0 Ų045.9 Ų45.90%023%0.23CC..Hα-helixtrans-53.5-46.8172.5176.663000111.4A57 L64 M65 T98 T102 I105 A168 L171A57-L61 WeakPolarHBondContact O-CB 3.49Å; A57-L61 PolarHBondContact O-N 3.2Å; L61-L64 PolarHBondContact O-N 3.23Å; L61-M65 HydrophobicContact CD1-CE 4.05Å; L61-M65 HydrophobicContact CD1-CG 4.02Å; L61-M65 HydrophobicContact CG-CG 4.47Å; L61-M65 VanDerWaalsContact O-CB 3.3Å; L61-M65 WeakPolarHBondContact O-CB 3.47Å; L61-M65 VanDerWaalsContact O-CG 3.22Å; L61-M65 WeakPolarHBondContact O-CG 3.39Å; L61-M65 PolarHBondContact O-N 3.32Å; L61-T98 HydrophobicContact CD1-CG2 3.75Å; L61-T102 HydrophobicContact CD1-CG2 3.83Å; L61-T102 HydrophobicContact CD2-CG2 3.67Å; L61-T102 HydrophobicContact CG-CG2 4.43Å; L61-I105 HydrophobicContact CB-CD1 4.35Å; L61-I105 HydrophobicContact CD2-CD1 3.71Å; L61-A168 HydrophobicContact CB-CB 4.35Å; L61-A168 HydrophobicContact CD2-CB 3.92Å; L61-A168 HydrophobicContact CG-CB 3.94Å; L61-L171 HydrophobicContact CD2-CD1 3.97Å
62A94.6Very high89Confident0 Ų045.6 Ų45.60%023%0.229CC..Hα-helixtrans-59.2-50178.100000112Q58 K59 V60 L64 M65 F66 G165 A168 F169Q58-A62 PolarHBondContact O-N 3.18Å; K59-A62 WeakPolarHBondContact O-CB 3.36Å; K59-A62 PolarHBondContact O-N 3.35Å; V60-A62 VanDerWaalsContact C-N 3.29Å; V60-A62 PolarHBondContact O-N 3.45Å; A62-L64 PolarHBondContact O-N 3.2Å; A62-M65 PolarHBondContact O-N 3.38Å; A62-F66 WeakPolarHBondContact O-CD2 3.35Å; A62-F66 PolarHBondContact O-N 3Å; A62-G165 WeakPolarHBondContact CB-O 3.39Å; A62-A168 HydrophobicContact CB-CB 3.87Å; A62-F169 HydrophobicContact CB-CD1 4.01Å; A62-F169 HydrophobicContact CB-CD2 4.22Å; A62-F169 HydrophobicContact CB-CE1 3.64Å; A62-F169 HydrophobicContact CB-CE2 3.91Å; A62-F169 HydrophobicContact CB-CG 4.28Å; A62-F169 HydrophobicContact CB-CZ 3.59Å
63V94Very high91Very high94 Ų9447.9 Ų47.957%0.5723%0.233SC*.Hα-helixtrans-60.4-47.6179.9172.20000111.5K59 V60 M65 F66 A67K59-V63 WeakPolarHBondContact O-CG2 3.4Å; K59-V63 PolarHBondContact O-N 3.46Å; V60-V63 PolarHBondContact O-N 3.05Å; V63-M65 VanDerWaalsContact C-N 3.31Å; V63-M65 PolarHBondContact O-N 2.73Å; V63-F66 PolarHBondContact O-N 2.91Å; V63-A67 WeakPolarHBondContact O-CB 3.42Å; V63-A67 PolarHBondContact O-N 3.15Å
64L94.3Very high92.8Very high32 Ų3249.1 Ų49.117%0.16824%0.241CC..Hα-helixtrans-62.3-39.1178.6-70.2179.9000111.8V60 L61 A62 A67 G68 T94 P97 T98 L101V60-L64 HydrophobicContact CG1-CD1 3.86Å; V60-L64 HydrophobicContact CG1-CG 4.06Å; V60-L64 WeakPolarHBondContact O-CB 3.32Å; V60-L64 WeakPolarHBondContact O-CG 3.24Å; V60-L64 PolarHBondContact O-N 2.65Å; L61-L64 PolarHBondContact O-N 3.23Å; A62-L64 PolarHBondContact O-N 3.2Å; L64-A67 PolarHBondContact O-N 3.31Å; L64-G68 PolarHBondContact O-N 2.79Å; L64-T94 HydrophobicContact CD2-CG2 4.45Å; L64-P97 HydrophobicContact CD1-CB 4.03Å; L64-T98 HydrophobicContact CB-CG2 3.72Å; L64-T98 HydrophobicContact CD1-CG2 3.8Å; L64-T98 HydrophobicContact CG-CG2 4.44Å; L64-L101 HydrophobicContact CD1-CD1 3.8Å
65M96.8Very high94.2Very high2 Ų242.4 Ų42.41%0.0121%0.211CC..Hα-helixtrans-67.7-40177.3-77.7-68.4152.800113.2E4 I7 L61 A62 V63 A69 Y95 T98 L164E4-M65 WeakPolarHBondContact OE2-CE 3.48Å; I7-M65 HydrophobicContact CD1-SD 4.01Å; L61-M65 HydrophobicContact CD1-CE 4.05Å; L61-M65 HydrophobicContact CD1-CG 4.02Å; L61-M65 HydrophobicContact CG-CG 4.47Å; L61-M65 VanDerWaalsContact O-CB 3.3Å; L61-M65 WeakPolarHBondContact O-CB 3.47Å; L61-M65 VanDerWaalsContact O-CG 3.22Å; L61-M65 WeakPolarHBondContact O-CG 3.39Å; L61-M65 PolarHBondContact O-N 3.32Å; A62-M65 PolarHBondContact O-N 3.38Å; V63-M65 VanDerWaalsContact C-N 3.31Å; V63-M65 PolarHBondContact O-N 2.73Å; M65-A69 WeakPolarHBondContact O-CB 3.42Å; M65-A69 PolarHBondContact O-N 3.19Å; M65-Y95 HydrophobicContact CE-CD2 3.84Å; M65-Y95 HydrophobicContact CE-CE2 3.95Å; M65-T98 VanDerWaalsContact CE-CB 3.43Å; M65-T98 HydrophobicContact CE-CG2 3.65Å; M65-T98 WeakPolarHBondContact CE-OG1 3.43Å; M65-L164 HydrophobicContact CE-CD2 3.86Å; M65-L164 HydrophobicContact CG-CB 4.37Å; M65-L164 HydrophobicContact CG-CD2 4.33Å; M65-L164 HydrophobicContact CG-CG 4.15Å; M65-L164 HydrophobicContact SD-CB 4.19Å; M65-L164 HydrophobicContact SD-CD2 3.82Å; M65-L164 HydrophobicContact SD-CG 4.16Å
66F97.8Very high94.9Very high71 Ų7136.7 Ų36.731%0.31119%0.186SC..Hα-helixtrans-68.3-42.1174-75.2-62.4000112.4A62 V63 G68 A69 L70 V166 F169A62-F66 WeakPolarHBondContact O-CD2 3.35Å; A62-F66 PolarHBondContact O-N 3Å; V63-F66 PolarHBondContact O-N 2.91Å; F66-G68 VanDerWaalsContact C-N 3.35Å; F66-A69 PolarHBondContact O-N 2.87Å; F66-L70 PolarHBondContact O-N 3.27Å; F66-L70 VanDerWaalsContact O-N 3.1Å; F66-V166 HydrophobicContact CE1-CG2 4.08Å; F66-V166 HydrophobicContact CZ-CG2 3.7Å; F66-F169 HydrophobicContact CD2-CE2 4.5Å; F66-F169 HydrophobicContact CE2-CD2 4.34Å; F66-F169 AromaticContact CE2-CE2 3.6Å; F66-F169 HydrophobicContact CE2-CE2 3.6Å; F66-F169 HydrophobicContact CE2-CZ 4.34Å; F66-F169 HydrophobicContact CZ-CE2 4.36Å
67A96.6Very high95.4Very high36 Ų3640.8 Ų40.830%0.29821%0.205SC..Hα-helixtrans-60.4-47174.200000110.7V63 L64 A69 L70 L71 T94V63-A67 WeakPolarHBondContact O-CB 3.42Å; V63-A67 PolarHBondContact O-N 3.15Å; L64-A67 PolarHBondContact O-N 3.31Å; A67-A69 PolarHBondContact O-N 2.95Å; A67-L70 PolarHBondContact O-N 3.36Å; A67-L71 WeakPolarHBondContact O-CB 3.13Å; A67-L71 VanDerWaalsContact O-CG 3.26Å; A67-L71 WeakPolarHBondContact O-CG 3.36Å; A67-L71 PolarHBondContact O-N 2.93Å; A67-T94 HydrophobicContact CB-CG2 4.13Å
68G97.1Very high95.7Very high2 Ų242.9 Ų42.92%0.02121%0.212CC..Hα-helixtrans-60.2-41.6175.500000112.9L64 F66 L70 L71 M72 Y91 T94L64-G68 PolarHBondContact O-N 2.79Å; F66-G68 VanDerWaalsContact C-N 3.35Å; G68-L70 PolarHBondContact O-N 3.25Å; G68-L71 PolarHBondContact O-N 2.85Å; G68-M72 VanDerWaalsContact O-CB 3.31Å; G68-M72 WeakPolarHBondContact O-CB 3.39Å; G68-M72 PolarHBondContact O-N 3.41Å; G68-Y91 VanDerWaalsContact O-CD2 3.3Å; G68-Y91 WeakPolarHBondContact O-CD2 3.46Å; G68-T94 WeakPolarHBondContact CA-OG1 3.42Å
69A98.3Very high95.7Very high10 Ų1047.4 Ų47.48%0.08324%0.241CC..Hα-helixtrans-60.2-45.5176.400000112.3M65 F66 A67 Y73 A158 A162M65-A69 WeakPolarHBondContact O-CB 3.42Å; M65-A69 PolarHBondContact O-N 3.19Å; F66-A69 PolarHBondContact O-N 2.87Å; A67-A69 PolarHBondContact O-N 2.95Å; A69-Y73 WeakPolarHBondContact O-CB 3.26Å; A69-Y73 PolarHBondContact O-N 3.16Å; A69-A158 WeakPolarHBondContact CB-O 3.47Å; A69-A162 HydrophobicContact CB-CB 4.03Å
70L98.1Very high95.8Very high107 Ų10745.7 Ų45.756%0.5624%0.24SC*.Hα-helixtrans-64.3-46.8176.4-71.9172.1000111.7F66 A67 G68 M72 Y73 F74F66-L70 PolarHBondContact O-N 3.27Å; F66-L70 VanDerWaalsContact O-N 3.1Å; A67-L70 PolarHBondContact O-N 3.36Å; G68-L70 PolarHBondContact O-N 3.25Å; L70-M72 VanDerWaalsContact C-N 3.35Å; L70-M72 PolarHBondContact O-N 3.27Å; L70-Y73 PolarHBondContact O-N 3.03Å; L70-F74 WeakPolarHBondContact O-CD2 3.48Å; L70-F74 PolarHBondContact O-N 3.35Å
71L98.2Very high96Very high38 Ų3847.4 Ų47.420%0.19925%0.247CC..Hα-helixtrans-60.4-44.8179.3-71.6165.9000111.5A67 G68 F74 A75 L87 A90 T94A67-L71 WeakPolarHBondContact O-CB 3.13Å; A67-L71 VanDerWaalsContact O-CG 3.26Å; A67-L71 WeakPolarHBondContact O-CG 3.36Å; A67-L71 PolarHBondContact O-N 2.93Å; G68-L71 PolarHBondContact O-N 2.85Å; L71-F74 PolarHBondContact O-N 2.89Å; L71-A75 WeakPolarHBondContact O-CB 3.08Å; L71-A75 PolarHBondContact O-N 2.83Å; L71-L87 HydrophobicContact CD2-CD2 4.14Å; L71-A90 HydrophobicContact CD1-CB 3.98Å; L71-A90 HydrophobicContact CD2-CB 3.94Å; L71-T94 HydrophobicContact CD1-CG2 3.88Å
72M98.1Very high96.1Very high0 Ų051.4 Ų51.40%028%0.279CS..Hα-helixtrans-66.8-38.5177.8-173.157.468.200112W11 G68 L70 F74 A75 A76 L88 Y91 L154 T157 A158W11-M72 HydrophobicContact CD2-CE 4.19Å; W11-M72 HydrophobicContact CG-CE 4.13Å; G68-M72 VanDerWaalsContact O-CB 3.31Å; G68-M72 WeakPolarHBondContact O-CB 3.39Å; G68-M72 PolarHBondContact O-N 3.41Å; L70-M72 VanDerWaalsContact C-N 3.35Å; L70-M72 PolarHBondContact O-N 3.27Å; M72-F74 PolarHBondContact O-N 3.46Å; M72-A75 PolarHBondContact O-N 3.31Å; M72-A75 HydrophobicContact SD-CB 4.49Å; M72-A76 WeakPolarHBondContact O-CB 3.42Å; M72-A76 PolarHBondContact O-N 3.27Å; M72-L88 HydrophobicContact CE-CD1 3.95Å; M72-Y91 HydrophobicContact CB-CD2 3.92Å; M72-Y91 HydrophobicContact CB-CE2 4.04Å; M72-Y91 HydrophobicContact CE-CD1 3.37Å; M72-Y91 HydrophobicContact CE-CD2 3.77Å; M72-Y91 HydrophobicContact CE-CE1 3.3Å; M72-Y91 HydrophobicContact CE-CE2 3.7Å; M72-Y91 HydrophobicContact CE-CG 3.6Å; M72-Y91 VanDerWaalsContact CE-CZ 3.46Å; M72-L154 HydrophobicContact CG-CB 4.34Å; M72-L154 VanDerWaalsContact CG-O 3.24Å; M72-L154 WeakPolarHBondContact CG-O 3.26Å; M72-L154 HydrophobicContact SD-CB 3.82Å; M72-L154 HydrophobicContact SD-CD2 3.95Å; M72-L154 HydrophobicContact SD-CG 3.76Å; M72-T157 HydrophobicContact CE-CG2 4.14Å; M72-T157 HydrophobicContact CG-CG2 3.9Å; M72-A158 HydrophobicContact CB-CB 4.14Å; M72-A158 HydrophobicContact CG-CB 4.19Å
73Y98.3Very high96.1Very high119 Ų11952.4 Ų52.447%0.46729%0.29SS..Hα-helixtrans-60.3-42.8174.9175.9-103.4000112.4A69 L70 Q77 L155A69-Y73 WeakPolarHBondContact O-CB 3.26Å; A69-Y73 PolarHBondContact O-N 3.16Å; L70-Y73 PolarHBondContact O-N 3.03Å; Y73-Q77 PolarHBondContact O-NE2 3.36Å; Y73-Q77 PolarHBondContact OH-NE2 2.96Å; Y73-L155 HydrophobicContact CD2-CD2 3.8Å; Y73-L155 HydrophobicContact CE2-CD2 4.17Å
74F98.1Very high96.3Very high100 Ų10047.9 Ų47.944%0.43926%0.263SS..Hα-helixtrans-72.8-35.9175.4-71.6-61.5000112.7L70 L71 M72 A76 Q77 Q78 L87L70-F74 WeakPolarHBondContact O-CD2 3.48Å; L70-F74 PolarHBondContact O-N 3.35Å; L71-F74 PolarHBondContact O-N 2.89Å; M72-F74 PolarHBondContact O-N 3.46Å; F74-A76 VanDerWaalsContact C-N 3.31Å; F74-A76 PolarHBondContact O-N 2.97Å; F74-Q77 PolarHBondContact O-N 3.45Å; F74-Q78 WeakPolarHBondContact O-CG 3.45Å; F74-Q78 PolarHBondContact O-NE2 3.31Å; F74-L87 HydrophobicContact CB-CD1 4.05Å; F74-L87 HydrophobicContact CB-CD2 4.46Å
75A97.1Very high96.4Very high0 Ų048.5 Ų48.50%026%0.264CS..Hα-helixtrans-61.2-41.2174.900000111.2L71 M72 Q77 Q78 F84 L87L71-A75 WeakPolarHBondContact O-CB 3.08Å; L71-A75 PolarHBondContact O-N 2.83Å; M72-A75 PolarHBondContact O-N 3.31Å; M72-A75 HydrophobicContact SD-CB 4.49Å; A75-Q77 PolarHBondContact O-N 2.87Å; A75-Q77 VanDerWaalsContact O-N 3.08Å; A75-Q78 PolarHBondContact O-N 2.95Å; A75-F84 HydrophobicContact CB-CD2 4.13Å; A75-F84 HydrophobicContact CB-CE2 3.93Å; A75-F84 WeakPolarHBondContact O-CD2 3.03Å; A75-L87 HydrophobicContact CB-CB 3.98Å
76A96.6Very high96.4Very high1 Ų151.8 Ų51.81%0.00829%0.286CS..THydrogen-bonded Turntrans-61.8-16.2177.700000114.2M72 F74 N151 L154 L155M72-A76 WeakPolarHBondContact O-CB 3.42Å; M72-A76 PolarHBondContact O-N 3.27Å; F74-A76 VanDerWaalsContact C-N 3.31Å; F74-A76 PolarHBondContact O-N 2.97Å; A76-N151 HydrophobicContact CB-CB 4.38Å; A76-N151 VanDerWaalsContact O-CB 3.27Å; A76-N151 WeakPolarHBondContact O-CB 3.34Å; A76-N151 PolarHBondContact O-ND2 2.87Å; A76-L154 HydrophobicContact CB-CB 3.74Å; A76-L154 HydrophobicContact CB-CD2 4.29Å; A76-L155 HydrophobicContact CB-CD2 3.8Å; A76-L155 HydrophobicContact CB-CG 4.12Å
77Q95.4Very high96.4Very high96 Ų9650.3 Ų50.345%0.44928%0.281SS..THydrogen-bonded Turntrans-94.8-10.4177.6-63.7175.738.100113.1Y73 F74 A75Y73-Q77 PolarHBondContact O-NE2 3.36Å; Y73-Q77 PolarHBondContact OH-NE2 2.96Å; F74-Q77 PolarHBondContact O-N 3.45Å; A75-Q77 PolarHBondContact O-N 2.87Å; A75-Q77 VanDerWaalsContact O-N 3.08Å
78Q95.1Very high96.4Very high55 Ų5548.6 Ų48.626%0.25727%0.267SS..  trans-79.2137.4-178-55.5-50.2-55.100110.9F74 A75 F84 L87F74-Q78 WeakPolarHBondContact O-CG 3.45Å; F74-Q78 PolarHBondContact O-NE2 3.31Å; A75-Q78 PolarHBondContact O-N 2.95Å; Q78-F84 HydrophobicContact CB-CB 3.89Å; Q78-F84 HydrophobicContact CB-CD2 4.29Å; Q78-F84 HydrophobicContact CG-CB 4.5Å; Q78-L87 HydrophobicContact CG-CD1 3.68Å
79T90.2Very high96.4Very high105 Ų10550.4 Ų50.464%0.64428%0.276SS*.  trans-113.1-0.617656.20000112.8
80T94.2Very high96.4Very high80 Ų8051.5 Ų51.549%0.49129%0.285SS..SBendtrans-127.5147179.864.80000110.8F24 A82 G83 F84F24-T80 VanDerWaalsContact CZ-C 3.45Å; T80-A82 VanDerWaalsContact C-N 3.33Å; T80-A82 PolarHBondContact O-N 3.32Å; T80-G83 PolarHBondContact O-N 2.89Å; T80-F84 WeakPolarHBondContact O-CB 3.23Å; T80-F84 PolarHBondContact O-N 3.25Å
81F94.3Very high96.3Very high48 Ų4846.5 Ų46.521%0.21126%0.258CS..Hα-helixtrans-59.7-41.4-179.6177.3-107000113.1F24 E28 W31 G83 F84 F85F24-F81 HydrophobicContact CD1-CB 3.97Å; F24-F81 AromaticContact CD1-CD2 3.99Å; F24-F81 HydrophobicContact CD1-CD2 3.99Å; F24-F81 HydrophobicContact CD1-CG 4.47Å; F24-F81 HydrophobicContact CE1-CB 3.71Å; F24-F81 AromaticContact CE1-CD2 3.92Å; F24-F81 HydrophobicContact CE1-CD2 3.92Å; F24-F81 HydrophobicContact CE1-CG 4.33Å; F24-F81 HydrophobicContact CZ-CB 4.37Å; E28-F81 HydrophobicContact CB-CB 4.4Å; E28-F81 HydrophobicContact CB-CD2 3.55Å; E28-F81 HydrophobicContact CB-CE2 3.87Å; E28-F81 HydrophobicContact CB-CG 3.92Å; E28-F81 HydrophobicContact CB-CZ 4.5Å; E28-F81 HydrophobicContact CG-CB 4.04Å; E28-F81 HydrophobicContact CG-CD1 3.83Å; E28-F81 HydrophobicContact CG-CD2 3.76Å; E28-F81 HydrophobicContact CG-CE1 4.2Å; E28-F81 HydrophobicContact CG-CE2 4.12Å; E28-F81 HydrophobicContact CG-CG 3.6Å; E28-F81 HydrophobicContact CG-CZ 4.34Å; E28-F81 WeakPolarHBondContact O-CE2 3.43Å; E28-F81 VanDerWaalsContact OE1-CB 3.24Å; E28-F81 WeakPolarHBondContact OE1-CB 3.19Å; W31-F81 HydrophobicContact CB-CE2 3.93Å; W31-F81 HydrophobicContact CB-CZ 3.78Å; W31-F81 HydrophobicContact CG-CZ 4.32Å; F81-G83 VanDerWaalsContact C-N 3.25Å; F81-G83 PolarHBondContact O-N 3.16Å; F81-F84 PolarHBondContact O-N 3.39Å; F81-F84 VanDerWaalsContact O-N 3.16Å; F81-F85 HydrophobicContact CD2-CB 3.95Å; F81-F85 HydrophobicContact CE1-CB 4.23Å; F81-F85 HydrophobicContact CE1-CG 4.42Å; F81-F85 HydrophobicContact CE2-CB 3.54Å; F81-F85 AromaticContact CE2-CD2 3.89Å; F81-F85 HydrophobicContact CE2-CD2 3.89Å; F81-F85 AromaticContact CE2-CG 3.93Å; F81-F85 HydrophobicContact CE2-CG 3.93Å; F81-F85 HydrophobicContact CG-CB 4.47Å; F81-F85 HydrophobicContact CZ-CB 3.69Å; F81-F85 HydrophobicContact CZ-CD1 4.41Å; F81-F85 AromaticContact CZ-CD2 3.81Å; F81-F85 HydrophobicContact CZ-CD2 3.81Å; F81-F85 AromaticContact CZ-CG 3.71Å; F81-F85 HydrophobicContact CZ-CG 3.71Å; F81-F85 WeakPolarHBondContact O-CB 3.38Å; F81-F85 PolarHBondContact O-N 2.93Å
82A94.9Very high96.2Very high83 Ų8344.7 Ų44.769%0.68625%0.249SC*.Hα-helixtrans-59.2-34.4-179.500000113.2T80 P86T80-A82 VanDerWaalsContact C-N 3.33Å; T80-A82 PolarHBondContact O-N 3.32Å; A82-P86 WeakPolarHBondContact O-CD 3.31Å; A82-P86 WeakPolarHBondContact O-CG 3.22Å
83G94.7Very high96Very high21 Ų2147 Ų4722%0.21626%0.261CS..Hα-helixtrans-82.9-39.3173.600000113T80 F81 L87T80-G83 PolarHBondContact O-N 2.89Å; F81-G83 VanDerWaalsContact C-N 3.25Å; F81-G83 PolarHBondContact O-N 3.16Å; G83-L87 WeakPolarHBondContact O-CD1 3.27Å
84F97.1Very high95.8Very high0 Ų042.3 Ų42.30%025%0.245CC..Hα-helixtrans-71.8-47.7-174-177.8-106000113.5L15 W18 L19 F24 A75 Q78 T80 F81 L87 L88 L154L15-F84 HydrophobicContact CD1-CE1 4.46Å; L15-F84 HydrophobicContact CD1-CZ 3.95Å; W18-F84 AromaticContact CH2-CD2 3.88Å; W18-F84 HydrophobicContact CH2-CD2 3.88Å; W18-F84 AromaticContact CH2-CE2 3.66Å; W18-F84 HydrophobicContact CH2-CE2 3.66Å; W18-F84 HydrophobicContact CH2-CZ 4.39Å; W18-F84 HydrophobicContact CZ3-CD2 4.02Å; W18-F84 AromaticContact CZ3-CE2 3.41Å; W18-F84 HydrophobicContact CZ3-CE2 3.41Å; W18-F84 VanDerWaalsContact CZ3-CE2 3.41Å; W18-F84 AromaticContact CZ3-CZ 3.7Å; W18-F84 HydrophobicContact CZ3-CZ 3.7Å; L19-F84 HydrophobicContact CD1-CE1 4.07Å; L19-F84 HydrophobicContact CD2-CD1 3.99Å; L19-F84 HydrophobicContact CD2-CE1 3.72Å; L19-F84 HydrophobicContact CD2-CZ 4.07Å; L19-F84 HydrophobicContact CG-CE1 4.47Å; F24-F84 HydrophobicContact CE1-CB 3.98Å; F24-F84 AromaticContact CE1-CD1 3.87Å; F24-F84 HydrophobicContact CE1-CD1 3.87Å; F24-F84 HydrophobicContact CE1-CG 4.17Å; F24-F84 HydrophobicContact CZ-CB 3.85Å; F24-F84 HydrophobicContact CZ-CD1 4.33Å; F24-F84 HydrophobicContact CZ-CG 4.2Å; A75-F84 HydrophobicContact CB-CD2 4.13Å; A75-F84 HydrophobicContact CB-CE2 3.93Å; A75-F84 WeakPolarHBondContact O-CD2 3.03Å; Q78-F84 HydrophobicContact CB-CB 3.89Å; Q78-F84 HydrophobicContact CB-CD2 4.29Å; Q78-F84 HydrophobicContact CG-CB 4.5Å; T80-F84 WeakPolarHBondContact O-CB 3.23Å; T80-F84 PolarHBondContact O-N 3.25Å; F81-F84 PolarHBondContact O-N 3.39Å; F81-F84 VanDerWaalsContact O-N 3.16Å; F84-L87 PolarHBondContact O-N 2.9Å; F84-L88 HydrophobicContact CE1-CB 4.17Å; F84-L88 HydrophobicContact CE1-CD2 3.55Å; F84-L88 HydrophobicContact CE1-CG 4.36Å; F84-L88 HydrophobicContact CZ-CB 4.2Å; F84-L88 HydrophobicContact CZ-CD1 4.22Å; F84-L88 HydrophobicContact CZ-CD2 3.75Å; F84-L88 HydrophobicContact CZ-CG 4.28Å; F84-L88 PolarHBondContact O-N 2.9Å; F84-L154 HydrophobicContact CE2-CD2 3.89Å; F84-L154 HydrophobicContact CZ-CD2 4.33Å
85F96.6Very high95.7Very high45 Ų4537.8 Ų37.820%0.19723%0.225CC..Hα-helixtrans-60.6-48.4-172170-96.7000113.7W31 C35 F81 L87 L88 L89W31-F85 HydrophobicContact CB-CD2 4.24Å; W31-F85 HydrophobicContact CB-CE2 4.13Å; W31-F85 HydrophobicContact CE3-CE2 4.13Å; W31-F85 HydrophobicContact CE3-CZ 4.31Å; C35-F85 VanDerWaalsContact SG-CE2 3.53Å; F81-F85 HydrophobicContact CD2-CB 3.95Å; F81-F85 HydrophobicContact CE1-CB 4.23Å; F81-F85 HydrophobicContact CE1-CG 4.42Å; F81-F85 HydrophobicContact CE2-CB 3.54Å; F81-F85 AromaticContact CE2-CD2 3.89Å; F81-F85 HydrophobicContact CE2-CD2 3.89Å; F81-F85 AromaticContact CE2-CG 3.93Å; F81-F85 HydrophobicContact CE2-CG 3.93Å; F81-F85 HydrophobicContact CG-CB 4.47Å; F81-F85 HydrophobicContact CZ-CB 3.69Å; F81-F85 HydrophobicContact CZ-CD1 4.41Å; F81-F85 AromaticContact CZ-CD2 3.81Å; F81-F85 HydrophobicContact CZ-CD2 3.81Å; F81-F85 AromaticContact CZ-CG 3.71Å; F81-F85 HydrophobicContact CZ-CG 3.71Å; F81-F85 WeakPolarHBondContact O-CB 3.38Å; F81-F85 PolarHBondContact O-N 2.93Å; F85-L87 VanDerWaalsContact C-N 3.3Å; F85-L87 PolarHBondContact O-N 2.66Å; F85-L88 PolarHBondContact O-N 3.32Å; F85-L89 HydrophobicContact CE1-CD2 4.42Å; F85-L89 HydrophobicContact CZ-CD2 4.37Å; F85-L89 WeakPolarHBondContact O-CB 3.13Å; F85-L89 PolarHBondContact O-N 3.1Å
86P97.6Very high95.4Very high71 Ų7138.5 Ų38.546%0.46123%0.228SC..Hα-helixtrans-62.1-37.5178.5-23.435000112.9A82 A90A82-P86 WeakPolarHBondContact O-CD 3.31Å; A82-P86 WeakPolarHBondContact O-CG 3.22Å; P86-A90 WeakPolarHBondContact O-CB 3.15Å; P86-A90 PolarHBondContact O-N 3.5Å
87L97.8Very high95.1Very high40 Ų4038.7 Ų38.721%0.20923%0.229CC..Hα-helixtrans-67.9-42.4177.2-70172.2000111.5L71 F74 A75 Q78 G83 F84 F85 A90 Y91L71-L87 HydrophobicContact CD2-CD2 4.14Å; F74-L87 HydrophobicContact CB-CD1 4.05Å; F74-L87 HydrophobicContact CB-CD2 4.46Å; A75-L87 HydrophobicContact CB-CB 3.98Å; Q78-L87 HydrophobicContact CG-CD1 3.68Å; G83-L87 WeakPolarHBondContact O-CD1 3.27Å; F84-L87 PolarHBondContact O-N 2.9Å; F85-L87 VanDerWaalsContact C-N 3.3Å; F85-L87 PolarHBondContact O-N 2.66Å; L87-A90 PolarHBondContact O-N 3.19Å; L87-Y91 WeakPolarHBondContact O-CB 3.25Å; L87-Y91 PolarHBondContact O-N 3.39Å
88L97.5Very high94.9Very high0 Ų034.1 Ų34.10%021%0.208CC..Hα-helixtrans-68.9-36.1177.8-171.267.4000112W11 L15 S32 C35 M72 F84 F85 Y91 S92W11-L88 HydrophobicContact CE3-CD1 4.23Å; W11-L88 HydrophobicContact CH2-CD1 4.13Å; W11-L88 HydrophobicContact CZ3-CD1 3.79Å; W11-L88 HydrophobicContact CZ3-CD2 4.11Å; W11-L88 HydrophobicContact CZ3-CG 4.43Å; L15-L88 HydrophobicContact CD2-CD2 4.44Å; S32-L88 WeakPolarHBondContact O-CD2 3.41Å; C35-L88 HydrophobicContact CB-CD2 4.47Å; C35-L88 HydrophobicContact CB-CG 4.32Å; M72-L88 HydrophobicContact CE-CD1 3.95Å; F84-L88 HydrophobicContact CE1-CB 4.17Å; F84-L88 HydrophobicContact CE1-CD2 3.55Å; F84-L88 HydrophobicContact CE1-CG 4.36Å; F84-L88 HydrophobicContact CZ-CB 4.2Å; F84-L88 HydrophobicContact CZ-CD1 4.22Å; F84-L88 HydrophobicContact CZ-CD2 3.75Å; F84-L88 HydrophobicContact CZ-CG 4.28Å; F84-L88 PolarHBondContact O-N 2.9Å; F85-L88 PolarHBondContact O-N 3.32Å; L88-Y91 HydrophobicContact CD1-CD1 4.13Å; L88-Y91 PolarHBondContact O-N 2.97Å; L88-S92 WeakPolarHBondContact O-CB 3.39Å; L88-S92 PolarHBondContact O-N 2.82Å; L88-S92 PolarHBondContact O-OG 3.29Å
89L97.1Very high94.6Very high40 Ų4032.7 Ų32.721%0.20920%0.202CC..Hα-helixtrans-63.7-47.9173.2179.759.9000110.8C35 I38 F85 Y91 S92 L93C35-L89 HydrophobicContact CB-CD1 4.32Å; I38-L89 HydrophobicContact CB-CD1 4.06Å; I38-L89 HydrophobicContact CD1-CD1 4.3Å; I38-L89 HydrophobicContact CG2-CD1 3.81Å; F85-L89 HydrophobicContact CE1-CD2 4.42Å; F85-L89 HydrophobicContact CZ-CD2 4.37Å; F85-L89 WeakPolarHBondContact O-CB 3.13Å; F85-L89 PolarHBondContact O-N 3.1Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 2.91Å; L89-S92 PolarHBondContact O-N 3.46Å; L89-L93 HydrophobicContact CG-CD1 4.3Å; L89-L93 WeakPolarHBondContact O-CG 3.3Å; L89-L93 PolarHBondContact O-N 2.93Å
90A96.6Very high94.3Very high33 Ų3329.5 Ų29.527%0.27319%0.186SC..Hα-helixtrans-59.3-44.3175.100000111.6L71 P86 L87 S92 L93 T94L71-A90 HydrophobicContact CD1-CB 3.98Å; L71-A90 HydrophobicContact CD2-CB 3.94Å; P86-A90 WeakPolarHBondContact O-CB 3.15Å; P86-A90 PolarHBondContact O-N 3.5Å; L87-A90 PolarHBondContact O-N 3.19Å; A90-S92 VanDerWaalsContact C-N 3.35Å; A90-S92 PolarHBondContact O-N 3.41Å; A90-L93 PolarHBondContact O-N 3.27Å; A90-T94 PolarHBondContact O-N 3.38Å; A90-T94 VanDerWaalsContact O-N 3.11Å
91Y97.6Very high94Very high1 Ų125.8 Ų25.80%0.00416%0.163CC..Hα-helixtrans-57.9-48174.1166.6-96.3000111.3I7 W11 G68 M72 L87 L88 L89 L93 T94 Y95 T157I7-Y91 VanDerWaalsContact CG2-OH 3.31Å; I7-Y91 WeakPolarHBondContact CG2-OH 3.47Å; W11-Y91 AromaticContact CE2-CE1 3.76Å; W11-Y91 HydrophobicContact CZ2-CD1 4.48Å; W11-Y91 AromaticContact CZ2-CE1 3.85Å; W11-Y91 HydrophobicContact CZ2-CE1 3.85Å; W11-Y91 AromaticContact NE1-CE1 3.64Å; W11-Y91 AromaticContact NE1-CZ 3.93Å; W11-Y91 PolarHBondContact NE1-OH 2.73Å; G68-Y91 VanDerWaalsContact O-CD2 3.3Å; G68-Y91 WeakPolarHBondContact O-CD2 3.46Å; M72-Y91 HydrophobicContact CB-CD2 3.92Å; M72-Y91 HydrophobicContact CB-CE2 4.04Å; M72-Y91 HydrophobicContact CE-CD1 3.37Å; M72-Y91 HydrophobicContact CE-CD2 3.77Å; M72-Y91 HydrophobicContact CE-CE1 3.3Å; M72-Y91 HydrophobicContact CE-CE2 3.7Å; M72-Y91 HydrophobicContact CE-CG 3.6Å; M72-Y91 VanDerWaalsContact CE-CZ 3.46Å; L87-Y91 WeakPolarHBondContact O-CB 3.25Å; L87-Y91 PolarHBondContact O-N 3.39Å; L88-Y91 HydrophobicContact CD1-CD1 4.13Å; L88-Y91 PolarHBondContact O-N 2.97Å; L89-Y91 VanDerWaalsContact C-N 3.34Å; L89-Y91 PolarHBondContact O-N 2.91Å; Y91-L93 VanDerWaalsContact C-N 3.26Å; Y91-L93 PolarHBondContact O-N 3.33Å; Y91-T94 CarbonylContact O-C 3.42Å; Y91-T94 WeakPolarHBondContact O-CA 3.36Å; Y91-T94 PolarHBondContact O-N 2.86Å; Y91-T94 PolarHBondContact O-OG1 3.39Å; Y91-Y95 HydrophobicContact CE1-CG 4.34Å; Y91-Y95 WeakPolarHBondContact O-CB 3.44Å; Y91-Y95 PolarHBondContact O-N 3.05Å; Y91-T157 WeakPolarHBondContact OH-CG2 3.38Å
92S95.8Very high93.8Very high1 Ų124.1 Ų24.11%0.00716%0.157CC..Hα-helixtrans-61.1-38.3-178.9-58.90000111.2C35 A39 L88 L89 A90 T94 Y95 M96C35-S92 WeakPolarHBondContact CB-OG 3.41Å; C35-S92 WeakPolarHBondContact O-CB 3.1Å; A39-S92 VanDerWaalsContact CB-O 3.26Å; A39-S92 WeakPolarHBondContact CB-O 3.27Å; L88-S92 WeakPolarHBondContact O-CB 3.39Å; L88-S92 PolarHBondContact O-N 2.82Å; L88-S92 PolarHBondContact O-OG 3.29Å; L89-S92 PolarHBondContact O-N 3.46Å; A90-S92 VanDerWaalsContact C-N 3.35Å; A90-S92 PolarHBondContact O-N 3.41Å; S92-T94 VanDerWaalsContact C-N 3.28Å; S92-T94 PolarHBondContact O-N 2.82Å; S92-Y95 PolarHBondContact O-N 3.04Å; S92-M96 WeakPolarHBondContact O-CG 3.4Å; S92-M96 PolarHBondContact O-N 3.4Å
93L94.1Very high93.3Very high49 Ų4921.7 Ų21.726%0.25713%0.132SC..Hα-helixtrans-67-26.3174.3-70.2167.8000113.3A39 L42 L46 L89 A90 Y91 P97A39-L93 HydrophobicContact CB-CD2 4.01Å; A39-L93 HydrophobicContact CB-CG 4.31Å; L42-L93 HydrophobicContact CB-CD2 3.97Å; L42-L93 HydrophobicContact CD1-CD2 3.8Å; L46-L93 HydrophobicContact CD1-CD2 4.04Å; L89-L93 HydrophobicContact CG-CD1 4.3Å; L89-L93 WeakPolarHBondContact O-CG 3.3Å; L89-L93 PolarHBondContact O-N 2.93Å; A90-L93 PolarHBondContact O-N 3.27Å; Y91-L93 VanDerWaalsContact C-N 3.26Å; Y91-L93 PolarHBondContact O-N 3.33Å; L93-P97 VanDerWaalsContact O-CD 3.24Å; L93-P97 WeakPolarHBondContact O-CD 3.41Å; L93-P97 VanDerWaalsContact O-CG 3.31Å; L93-P97 WeakPolarHBondContact O-CG 3.43Å
94T93.8Very high92.7Very high20 Ų2023.1 Ų23.112%0.12314%0.139CC..Hα-helixtrans-81.9-30.3171.761.10000113.1L64 A67 G68 L71 A90 Y91 S92 T98L64-T94 HydrophobicContact CD2-CG2 4.45Å; A67-T94 HydrophobicContact CB-CG2 4.13Å; G68-T94 WeakPolarHBondContact CA-OG1 3.42Å; L71-T94 HydrophobicContact CD1-CG2 3.88Å; A90-T94 PolarHBondContact O-N 3.38Å; A90-T94 VanDerWaalsContact O-N 3.11Å; Y91-T94 CarbonylContact O-C 3.42Å; Y91-T94 WeakPolarHBondContact O-CA 3.36Å; Y91-T94 PolarHBondContact O-N 2.86Å; Y91-T94 PolarHBondContact O-OG1 3.39Å; S92-T94 VanDerWaalsContact C-N 3.28Å; S92-T94 PolarHBondContact O-N 2.82Å; T94-T98 VanDerWaalsContact O-CG2 3.28Å; T94-T98 WeakPolarHBondContact O-CG2 3.49Å
95Y95Very high92.2Very high4 Ų423.6 Ų23.62%0.01614%0.142CC..Hα-helixtrans-93.3-40.1-172.3-178.3-97.8000113.8E4 I7 W8 M65 Y91 S92 T98 I99E4-Y95 PolarHBondContact O-OH 3.37Å; I7-Y95 HydrophobicContact CB-CE2 4.06Å; I7-Y95 HydrophobicContact CG2-CD2 4.03Å; I7-Y95 HydrophobicContact CG2-CE2 3.51Å; W8-Y95 HydrophobicContact CB-CE1 4.05Å; W8-Y95 WeakPolarHBondContact CB-OH 3.16Å; W8-Y95 HydrophobicContact CD2-CE1 4.21Å; W8-Y95 HydrophobicContact CE3-CE1 4.44Å; W8-Y95 HydrophobicContact CG-CE1 4.02Å; M65-Y95 HydrophobicContact CE-CD2 3.84Å; M65-Y95 HydrophobicContact CE-CE2 3.95Å; Y91-Y95 HydrophobicContact CE1-CG 4.34Å; Y91-Y95 WeakPolarHBondContact O-CB 3.44Å; Y91-Y95 PolarHBondContact O-N 3.05Å; S92-Y95 PolarHBondContact O-N 3.04Å; Y95-T98 PolarHBondContact O-N 3.39Å; Y95-T98 PolarHBondContact O-OG1 2.92Å; Y95-I99 HydrophobicContact CE1-CD1 4.33Å
96M91.6Very high91.8Very high16 Ų1622.1 Ų22.18%0.07914%0.138CC..Hα-helixtrans-58.3-39.8-179.6-70.8-66.314600113.9W8 T36 A39 S92 T98 I99W8-M96 HydrophobicContact CH2-CE 4.41Å; W8-M96 HydrophobicContact CZ2-CE 3.94Å; T36-M96 HydrophobicContact CG2-CE 3.79Å; A39-M96 HydrophobicContact CB-CB 3.95Å; A39-M96 HydrophobicContact CB-CG 3.55Å; S92-M96 WeakPolarHBondContact O-CG 3.4Å; S92-M96 PolarHBondContact O-N 3.4Å; M96-T98 PolarHBondContact O-N 3.01Å; M96-I99 PolarHBondContact O-N 3.05Å; M96-I99 HydrophobicContact SD-CD1 4.08Å
97P89.3Confident91Very high4 Ų422.9 Ų22.93%0.02613%0.134CC..Hα-helixtrans-57.7-27.7172-31.340.4000115S43 L46 V47 L64 L93 I99 A100 L101S43-P97 VanDerWaalsContact OG-CA 3.32Å; S43-P97 WeakPolarHBondContact OG-CA 2.92Å; L46-P97 HydrophobicContact CB-CG 4.38Å; L46-P97 HydrophobicContact CD1-CG 4.35Å; V47-P97 HydrophobicContact CG2-CB 3.55Å; V47-P97 HydrophobicContact CG2-CG 4.34Å; L64-P97 HydrophobicContact CD1-CB 4.03Å; L93-P97 VanDerWaalsContact O-CD 3.24Å; L93-P97 WeakPolarHBondContact O-CD 3.41Å; L93-P97 VanDerWaalsContact O-CG 3.31Å; L93-P97 WeakPolarHBondContact O-CG 3.43Å; P97-I99 VanDerWaalsContact C-N 3.3Å; P97-I99 PolarHBondContact O-N 3.46Å; P97-A100 PolarHBondContact O-N 3.47Å; P97-L101 WeakPolarHBondContact O-CG 3.45Å; P97-L101 PolarHBondContact O-N 3.32Å; P97-L101 VanDerWaalsContact O-N 3.1Å
98T92.1Very high90.4Very high0 Ų023 Ų230%014%0.141CC..Hα-helixtrans-75.9-23.6-171.464.10000112.3E4 L61 L64 M65 T94 Y95 M96 L101 T102E4-T98 VanDerWaalsContact OE1-C 3.25Å; E4-T98 WeakPolarHBondContact OE1-CB 3.4Å; E4-T98 PolarHBondContact OE1-OG1 3.01Å; L61-T98 HydrophobicContact CD1-CG2 3.75Å; L64-T98 HydrophobicContact CB-CG2 3.72Å; L64-T98 HydrophobicContact CD1-CG2 3.8Å; L64-T98 HydrophobicContact CG-CG2 4.44Å; M65-T98 VanDerWaalsContact CE-CB 3.43Å; M65-T98 HydrophobicContact CE-CG2 3.65Å; M65-T98 WeakPolarHBondContact CE-OG1 3.43Å; T94-T98 VanDerWaalsContact O-CG2 3.28Å; T94-T98 WeakPolarHBondContact O-CG2 3.49Å; Y95-T98 PolarHBondContact O-N 3.39Å; Y95-T98 PolarHBondContact O-OG1 2.92Å; M96-T98 PolarHBondContact O-N 3.01Å; T98-L101 PolarHBondContact O-N 2.92Å; T98-T102 WeakPolarHBondContact O-CB 3.11Å; T98-T102 VanDerWaalsContact O-CG2 3.24Å; T98-T102 WeakPolarHBondContact O-CG2 3.33Å; T98-T102 PolarHBondContact O-N 3.21Å; T98-T102 PolarHBondContact O-OG1 2.95Å
99I89.2Confident89.8Confident25 Ų2526.4 Ų26.413%0.12816%0.159CC..Hα-helixtrans-61.9-46.8171.8-58.4173.6000109.9E4 W5 W8 Y95 M96 P97 T102 N103E4-I99 PolarHBondContact OE1-N 3.43Å; W5-I99 HydrophobicContact CZ2-CG2 4.17Å; W8-I99 HydrophobicContact CE3-CD1 3.87Å; W8-I99 HydrophobicContact CH2-CD1 4.24Å; W8-I99 HydrophobicContact CZ3-CD1 3.53Å; Y95-I99 HydrophobicContact CE1-CD1 4.33Å; M96-I99 PolarHBondContact O-N 3.05Å; M96-I99 HydrophobicContact SD-CD1 4.08Å; P97-I99 VanDerWaalsContact C-N 3.3Å; P97-I99 PolarHBondContact O-N 3.46Å; I99-T102 PolarHBondContact O-OG1 3.4Å; I99-T102 VanDerWaalsContact O-OG1 3.08Å; I99-N103 VanDerWaalsContact O-CG 3.3Å; I99-N103 PolarHBondContact O-N 2.79Å; I99-N103 PolarHBondContact O-ND2 3.48Å
100A84.2Confident89.1Confident38 Ų3825.8 Ų25.831%0.31416%0.157SC..Hα-helixtrans-66.2-43.3176.400000111.2V47 P97 T102 N103 S104V47-A100 HydrophobicContact CG2-CB 4.47Å; P97-A100 PolarHBondContact O-N 3.47Å; A100-T102 PolarHBondContact O-N 3.09Å; A100-N103 WeakPolarHBondContact O-CB 3.44Å; A100-N103 PolarHBondContact O-N 3.14Å; A100-S104 PolarHBondContact O-N 3.36Å; A100-S104 PolarHBondContact O-OG 3.29Å
101L86.7Confident88.3Confident3 Ų330 Ų302%0.01618%0.182CC..Hα-helixtrans-62.1-43.2179.7-73.1166.4000113.2T51 A57 V60 L64 P97 T98 N103 S104 I105T51-L101 HydrophobicContact CG2-CD1 4.06Å; T51-L101 HydrophobicContact CG2-CD2 3.32Å; T51-L101 HydrophobicContact CG2-CG 4.24Å; A57-L101 HydrophobicContact CB-CD2 4.02Å; V60-L101 HydrophobicContact CB-CD1 4.48Å; V60-L101 HydrophobicContact CG1-CD1 4.11Å; L64-L101 HydrophobicContact CD1-CD1 3.8Å; P97-L101 WeakPolarHBondContact O-CG 3.45Å; P97-L101 PolarHBondContact O-N 3.32Å; P97-L101 VanDerWaalsContact O-N 3.1Å; T98-L101 PolarHBondContact O-N 2.92Å; L101-N103 VanDerWaalsContact C-N 3.27Å; L101-N103 PolarHBondContact O-N 2.94Å; L101-S104 PolarHBondContact O-N 3.17Å; L101-I105 VanDerWaalsContact O-CG1 3.27Å; L101-I105 WeakPolarHBondContact O-CG1 3.34Å; L101-I105 PolarHBondContact O-N 2.91Å
102T90.4Very high87.5Confident12 Ų1232.9 Ų32.97%0.07420%0.197CC..Hα-helixtrans-67.1-31.7179.454.30000111.6M1 E4 L61 T98 I99 A100 A106M1-T102 VanDerWaalsContact CE-CB 3.43Å; M1-T102 VanDerWaalsContact CE-O 3.25Å; M1-T102 WeakPolarHBondContact CE-O 3.18Å; M1-T102 VanDerWaalsContact CE-OG1 3.28Å; M1-T102 WeakPolarHBondContact CE-OG1 3.24Å; E4-T102 HydrophobicContact CG-CG2 4.37Å; L61-T102 HydrophobicContact CD1-CG2 3.83Å; L61-T102 HydrophobicContact CD2-CG2 3.67Å; L61-T102 HydrophobicContact CG-CG2 4.43Å; T98-T102 WeakPolarHBondContact O-CB 3.11Å; T98-T102 VanDerWaalsContact O-CG2 3.24Å; T98-T102 WeakPolarHBondContact O-CG2 3.33Å; T98-T102 PolarHBondContact O-N 3.21Å; T98-T102 PolarHBondContact O-OG1 2.95Å; I99-T102 PolarHBondContact O-OG1 3.4Å; I99-T102 VanDerWaalsContact O-OG1 3.08Å; A100-T102 PolarHBondContact O-N 3.09Å; T102-A106 WeakPolarHBondContact O-CB 3.43Å; T102-A106 PolarHBondContact O-N 2.92Å
103N84.6Confident86.3Confident32 Ų3235.7 Ų35.717%0.17121%0.214CC..Hα-helixtrans-67.3-47.1169.9-66.3-22000111.2M1 I99 A100 L101 I105 A106 F107 F117M1-N103 WeakPolarHBondContact CE-OD1 3.26Å; I99-N103 VanDerWaalsContact O-CG 3.3Å; I99-N103 PolarHBondContact O-N 2.79Å; I99-N103 PolarHBondContact O-ND2 3.48Å; A100-N103 WeakPolarHBondContact O-CB 3.44Å; A100-N103 PolarHBondContact O-N 3.14Å; L101-N103 VanDerWaalsContact C-N 3.27Å; L101-N103 PolarHBondContact O-N 2.94Å; N103-I105 PolarHBondContact O-N 2.97Å; N103-A106 WeakPolarHBondContact O-CB 3.36Å; N103-A106 PolarHBondContact O-N 3.12Å; N103-A106 VanDerWaalsContact O-N 3.12Å; N103-F107 HydrophobicContact CB-CE2 4.19Å; N103-F107 WeakPolarHBondContact O-CD2 3.39Å; N103-F107 VanDerWaalsContact O-CG 3.3Å; N103-F107 WeakPolarHBondContact O-CG 3.37Å; N103-F107 PolarHBondContact O-N 3.4Å; N103-F117 HydrophobicContact CB-CE2 4.49Å; N103-F117 HydrophobicContact CB-CZ 4.31Å
104S82.2Confident84.9Confident52 Ų5241.8 Ų41.836%0.36424%0.241SC..Hα-helixtrans-60.7-41.7179-64.20000112.9A100 L101 A106 F107 A108A100-S104 PolarHBondContact O-N 3.36Å; A100-S104 PolarHBondContact O-OG 3.29Å; L101-S104 PolarHBondContact O-N 3.17Å; S104-A106 VanDerWaalsContact C-N 3.34Å; S104-F107 PolarHBondContact O-N 3.04Å; S104-A108 WeakPolarHBondContact O-CB 3.28Å; S104-A108 PolarHBondContact O-N 2.7Å
105I87.2Confident84.1Confident9 Ų947 Ų475%0.04626%0.259CS..Hα-helixtrans-62.7-42.4174.5-66.3162000110.4A57 Q58 L61 L101 N103 A108 N109 L171A57-I105 HydrophobicContact CB-CD1 4.29Å; A57-I105 HydrophobicContact CB-CG1 3.82Å; Q58-I105 HydrophobicContact CB-CD1 4.04Å; L61-I105 HydrophobicContact CB-CD1 4.35Å; L61-I105 HydrophobicContact CD2-CD1 3.71Å; L101-I105 VanDerWaalsContact O-CG1 3.27Å; L101-I105 WeakPolarHBondContact O-CG1 3.34Å; L101-I105 PolarHBondContact O-N 2.91Å; N103-I105 PolarHBondContact O-N 2.97Å; I105-A108 PolarHBondContact O-N 3.11Å; I105-N109 WeakPolarHBondContact O-CB 3.37Å; I105-N109 PolarHBondContact O-N 3.17Å; I105-N109 PolarHBondContact O-ND2 2.92Å; I105-L171 HydrophobicContact CD1-CD1 4.26Å; I105-L171 HydrophobicContact CG2-CB 4.5Å; I105-L171 HydrophobicContact CG2-CD1 4.31Å
106A86.4Confident83.4Confident15 Ų1548.1 Ų48.112%0.12427%0.265CS..Hα-helixtrans-62.3-50.5176.800000111T102 N103 S104 A108 N109 V110 F117T102-A106 WeakPolarHBondContact O-CB 3.43Å; T102-A106 PolarHBondContact O-N 2.92Å; N103-A106 WeakPolarHBondContact O-CB 3.36Å; N103-A106 PolarHBondContact O-N 3.12Å; N103-A106 VanDerWaalsContact O-N 3.12Å; S104-A106 VanDerWaalsContact C-N 3.34Å; A106-A108 VanDerWaalsContact C-N 3.29Å; A106-A108 PolarHBondContact O-N 3.46Å; A106-N109 PolarHBondContact O-N 3.05Å; A106-N109 VanDerWaalsContact O-N 3.13Å; A106-V110 WeakPolarHBondContact O-CG1 3.37Å; A106-V110 WeakPolarHBondContact O-CG2 3.39Å; A106-V110 PolarHBondContact O-N 2.84Å; A106-V110 VanDerWaalsContact O-N 3.15Å; A106-F117 HydrophobicContact CB-CD2 3.99Å; A106-F117 HydrophobicContact CB-CE2 3.94Å
107F82.6Confident82.8Confident86 Ų8648.9 Ų48.938%0.37727%0.268SS..Hα-helixtrans-60.5-35.8179.8-63.8-31.5000113.6N103 S104 N109 V113 F117N103-F107 HydrophobicContact CB-CE2 4.19Å; N103-F107 WeakPolarHBondContact O-CD2 3.39Å; N103-F107 VanDerWaalsContact O-CG 3.3Å; N103-F107 WeakPolarHBondContact O-CG 3.37Å; N103-F107 PolarHBondContact O-N 3.4Å; S104-F107 PolarHBondContact O-N 3.04Å; F107-N109 VanDerWaalsContact C-N 3.26Å; F107-N109 PolarHBondContact O-N 3.32Å; F107-V113 HydrophobicContact CB-CG2 4.28Å; F107-V113 HydrophobicContact CD1-CB 4.39Å; F107-V113 HydrophobicContact CD1-CG1 3.4Å; F107-V113 HydrophobicContact CD1-CG2 4.13Å; F107-V113 HydrophobicContact CE1-CG1 3.5Å; F107-V113 VanDerWaalsContact CE1-CG1 3.5Å; F107-V113 HydrophobicContact CG-CG1 4.29Å; F107-V113 HydrophobicContact CZ-CG1 4.49Å; F107-F117 HydrophobicContact CD1-CB 4.36Å; F107-F117 AromaticContact CD1-CD2 3.68Å; F107-F117 HydrophobicContact CD1-CD2 3.68Å; F107-F117 AromaticContact CD1-CE2 4Å; F107-F117 HydrophobicContact CD1-CE2 4Å; F107-F117 AromaticContact CD1-CG 3.97Å; F107-F117 HydrophobicContact CD1-CG 3.97Å; F107-F117 HydrophobicContact CE1-CB 3.96Å; F107-F117 AromaticContact CE1-CD1 3.48Å; F107-F117 HydrophobicContact CE1-CD1 3.48Å; F107-F117 VanDerWaalsContact CE1-CD1 3.48Å; F107-F117 AromaticContact CE1-CD2 3.31Å; F107-F117 HydrophobicContact CE1-CD2 3.31Å; F107-F117 AromaticContact CE1-CE1 3.62Å; F107-F117 HydrophobicContact CE1-CE1 3.62Å; F107-F117 AromaticContact CE1-CE2 3.47Å; F107-F117 HydrophobicContact CE1-CE2 3.47Å; F107-F117 VanDerWaalsContact CE1-CE2 3.47Å; F107-F117 AromaticContact CE1-CG 3.3Å; F107-F117 HydrophobicContact CE1-CG 3.3Å; F107-F117 AromaticContact CE1-CZ 3.62Å; F107-F117 HydrophobicContact CE1-CZ 3.62Å; F107-F117 HydrophobicContact CZ-CD1 4.01Å; F107-F117 HydrophobicContact CZ-CD2 4.21Å; F107-F117 AromaticContact CZ-CE1 3.71Å; F107-F117 HydrophobicContact CZ-CE1 3.71Å; F107-F117 AromaticContact CZ-CE2 3.93Å; F107-F117 HydrophobicContact CZ-CE2 3.93Å; F107-F117 HydrophobicContact CZ-CG 4.24Å; F107-F117 AromaticContact CZ-CZ 3.66Å; F107-F117 HydrophobicContact CZ-CZ 3.66Å
108A83.4Confident82.1Confident42 Ų4251.9 Ų51.935%0.34729%0.287SS..Hα-helixtrans-72.5-17.7179.300000113.9S104 I105 A106 T174S104-A108 WeakPolarHBondContact O-CB 3.28Å; S104-A108 PolarHBondContact O-N 2.7Å; I105-A108 PolarHBondContact O-N 3.11Å; A106-A108 VanDerWaalsContact C-N 3.29Å; A106-A108 PolarHBondContact O-N 3.46Å; A108-T174 HydrophobicContact CB-CG2 3.59Å
109N85.6Confident81.5Confident72 Ų7260 Ų6039%0.38532%0.318SS..Hα-helixtrans-123.95.7-169.3-68.5-77.2000114.2I105 A106 F107 P172 T174I105-N109 WeakPolarHBondContact O-CB 3.37Å; I105-N109 PolarHBondContact O-N 3.17Å; I105-N109 PolarHBondContact O-ND2 2.92Å; A106-N109 PolarHBondContact O-N 3.05Å; A106-N109 VanDerWaalsContact O-N 3.13Å; F107-N109 VanDerWaalsContact C-N 3.26Å; F107-N109 PolarHBondContact O-N 3.32Å; N109-P172 HydrophobicContact CB-CB 4.41Å; N109-P172 HydrophobicContact CB-CG 4.36Å; N109-P172 WeakPolarHBondContact OD1-CB 3.12Å; N109-T174 PolarHBondContact ND2-OG1 3.44Å; N109-T174 VanDerWaalsContact ND2-OG1 3.1Å
110V83.6Confident81.4Confident27 Ų2761.5 Ų61.516%0.16433%0.326CS..  trans-102141.6171.7-660000110.8A106 D112 V113 D116 I120A106-V110 WeakPolarHBondContact O-CG1 3.37Å; A106-V110 WeakPolarHBondContact O-CG2 3.39Å; A106-V110 PolarHBondContact O-N 2.84Å; A106-V110 VanDerWaalsContact O-N 3.15Å; V110-D112 VanDerWaalsContact C-N 3.34Å; V110-D112 PolarHBondContact O-N 2.99Å; V110-V113 HydrophobicContact CG2-CB 4.41Å; V110-V113 HydrophobicContact CG2-CG2 3.78Å; V110-D116 HydrophobicContact CB-CB 4.38Å; V110-I120 HydrophobicContact CG1-CD1 3.47Å; V110-I120 VanDerWaalsContact CG1-CD1 3.47Å
111P78.9Confident81.3Confident123 Ų12363.7 Ų63.780%0.79933%0.326SS*.SBendtrans-64.9-37.2179.9-20.231.8000113.4
112D80Confident81.2Confident61 Ų6166.9 Ų66.933%0.32635%0.345SS..  trans-137.6106.3-177.7-178.9-22000108.9V110 E114 R115 D116V110-D112 VanDerWaalsContact C-N 3.34Å; V110-D112 PolarHBondContact O-N 2.99Å; D112-E114 PolarHBondContact OD1-N 2.95Å; D112-E114 VanDerWaalsContact OD1-N 3.14Å; D112-R115 HydrophobicContact CB-CB 4.15Å; D112-R115 PolarHBondContact OD1-N 3.07Å; D112-R115 VanDerWaalsContact OD1-N 3.1Å; D112-D116 VanDerWaalsContact O-CB 3.27Å; D112-D116 WeakPolarHBondContact O-CB 3.25Å; D112-D116 PolarHBondContact O-N 3.19Å
113V71.5Confident81.2Confident60 Ų6070.6 Ų70.636%0.36436%0.363SS..Hα-helixtrans-63-44.2-176.1172.90000111.4F107 V110 R115 F117F107-V113 HydrophobicContact CB-CG2 4.28Å; F107-V113 HydrophobicContact CD1-CB 4.39Å; F107-V113 HydrophobicContact CD1-CG1 3.4Å; F107-V113 HydrophobicContact CD1-CG2 4.13Å; F107-V113 HydrophobicContact CE1-CG1 3.5Å; F107-V113 VanDerWaalsContact CE1-CG1 3.5Å; F107-V113 HydrophobicContact CG-CG1 4.29Å; F107-V113 HydrophobicContact CZ-CG1 4.49Å; V110-V113 HydrophobicContact CG2-CB 4.41Å; V110-V113 HydrophobicContact CG2-CG2 3.78Å; V113-R115 PolarHBondContact O-N 3.48Å; V113-F117 HydrophobicContact CG1-CB 4.25Å; V113-F117 WeakPolarHBondContact O-CB 3.43Å; V113-F117 PolarHBondContact O-N 3.06Å
114E64.5Low81.6Confident176 Ų17669 Ų6982%0.82236%0.355SS*.Hα-helixtrans-67.6-38.1-175-66.3-174174.800111.8D112 P118D112-E114 PolarHBondContact OD1-N 2.95Å; D112-E114 VanDerWaalsContact OD1-N 3.14Å; E114-P118 VanDerWaalsContact O-CD 3.28Å; E114-P118 WeakPolarHBondContact O-CD 3.27Å; E114-P118 WeakPolarHBondContact O-CG 3.35Å
115R77Confident81.9Confident131 Ų13168 Ų6849%0.49435%0.346SS..Hα-helixtrans-79.7-44.4179.9-171.5-171.669.8-149.7-7.7113.2D112 V113D112-R115 HydrophobicContact CB-CB 4.15Å; D112-R115 PolarHBondContact OD1-N 3.07Å; D112-R115 VanDerWaalsContact OD1-N 3.1Å; V113-R115 PolarHBondContact O-N 3.48Å
116D81Confident82.1Confident26 Ų2670.7 Ų70.714%0.13936%0.36CS..Hα-helixtrans-97.5-30.3-164.8-60.6-33.1000112.8V110 D112 R119 I120V110-D116 HydrophobicContact CB-CB 4.38Å; D112-D116 VanDerWaalsContact O-CB 3.27Å; D112-D116 WeakPolarHBondContact O-CB 3.25Å; D112-D116 PolarHBondContact O-N 3.19Å; D116-R119 PolarHBondContact O-N 2.85Å; D116-I120 PolarHBondContact O-N 3.36Å
117F78.3Confident82.5Confident32 Ų3270 Ų7014%0.1435%0.354CS..Hα-helixtrans-63.5-40.9-179.8-176.5-107.1000114.4N103 A106 F107 V113 R119 I120 R121N103-F117 HydrophobicContact CB-CE2 4.49Å; N103-F117 HydrophobicContact CB-CZ 4.31Å; A106-F117 HydrophobicContact CB-CD2 3.99Å; A106-F117 HydrophobicContact CB-CE2 3.94Å; F107-F117 HydrophobicContact CD1-CB 4.36Å; F107-F117 AromaticContact CD1-CD2 3.68Å; F107-F117 HydrophobicContact CD1-CD2 3.68Å; F107-F117 AromaticContact CD1-CE2 4Å; F107-F117 HydrophobicContact CD1-CE2 4Å; F107-F117 AromaticContact CD1-CG 3.97Å; F107-F117 HydrophobicContact CD1-CG 3.97Å; F107-F117 HydrophobicContact CE1-CB 3.96Å; F107-F117 AromaticContact CE1-CD1 3.48Å; F107-F117 HydrophobicContact CE1-CD1 3.48Å; F107-F117 VanDerWaalsContact CE1-CD1 3.48Å; F107-F117 AromaticContact CE1-CD2 3.31Å; F107-F117 HydrophobicContact CE1-CD2 3.31Å; F107-F117 AromaticContact CE1-CE1 3.62Å; F107-F117 HydrophobicContact CE1-CE1 3.62Å; F107-F117 AromaticContact CE1-CE2 3.47Å; F107-F117 HydrophobicContact CE1-CE2 3.47Å; F107-F117 VanDerWaalsContact CE1-CE2 3.47Å; F107-F117 AromaticContact CE1-CG 3.3Å; F107-F117 HydrophobicContact CE1-CG 3.3Å; F107-F117 AromaticContact CE1-CZ 3.62Å; F107-F117 HydrophobicContact CE1-CZ 3.62Å; F107-F117 HydrophobicContact CZ-CD1 4.01Å; F107-F117 HydrophobicContact CZ-CD2 4.21Å; F107-F117 AromaticContact CZ-CE1 3.71Å; F107-F117 HydrophobicContact CZ-CE1 3.71Å; F107-F117 AromaticContact CZ-CE2 3.93Å; F107-F117 HydrophobicContact CZ-CE2 3.93Å; F107-F117 HydrophobicContact CZ-CG 4.24Å; F107-F117 AromaticContact CZ-CZ 3.66Å; F107-F117 HydrophobicContact CZ-CZ 3.66Å; V113-F117 HydrophobicContact CG1-CB 4.25Å; V113-F117 WeakPolarHBondContact O-CB 3.43Å; V113-F117 PolarHBondContact O-N 3.06Å; F117-R119 PolarHBondContact O-N 3Å; F117-I120 CarbonylContact O-C 3.53Å; F117-I120 WeakPolarHBondContact O-CA 3.36Å; F117-I120 WeakPolarHBondContact O-CB 3.36Å; F117-I120 PolarHBondContact O-N 3.48Å; F117-R121 HydrophobicContact CE1-CB 4.39Å; F117-R121 PolarHBondContact O-N 2.96Å
118P74.5Confident83.1Confident68 Ų6867.4 Ų67.444%0.44234%0.342SS..Hα-helixtrans-55.6-39.1177.2-28.136.6000113E114 I120 R121 V122E114-P118 VanDerWaalsContact O-CD 3.28Å; E114-P118 WeakPolarHBondContact O-CD 3.27Å; E114-P118 WeakPolarHBondContact O-CG 3.35Å; P118-I120 VanDerWaalsContact C-N 3.35Å; P118-I120 PolarHBondContact O-N 3.27Å; P118-R121 PolarHBondContact O-N 3.35Å; P118-V122 WeakPolarHBondContact O-CG2 3.46Å; P118-V122 PolarHBondContact O-N 3.45Å
119R80.7Confident83.6Confident170 Ų17065.9 Ų65.964%0.64233%0.328SS*.Hα-helixtrans-65.7-38.3176.7-62.9175.8178.3168.7-1.3112D116 F117D116-R119 PolarHBondContact O-N 2.85Å; F117-R119 PolarHBondContact O-N 3Å
120I86.2Confident84.1Confident56 Ų5663.6 Ų63.629%0.28732%0.319SS..Hα-helixtrans-67.7-38.3174.8-67.1167.9000110.8M1 V110 D116 F117 P118 M123M1-I120 HydrophobicContact CB-CG2 4.24Å; M1-I120 WeakPolarHBondContact CB-O 3.22Å; M1-I120 HydrophobicContact CG-CG2 3.58Å; V110-I120 HydrophobicContact CG1-CD1 3.47Å; V110-I120 VanDerWaalsContact CG1-CD1 3.47Å; D116-I120 PolarHBondContact O-N 3.36Å; F117-I120 CarbonylContact O-C 3.53Å; F117-I120 WeakPolarHBondContact O-CA 3.36Å; F117-I120 WeakPolarHBondContact O-CB 3.36Å; F117-I120 PolarHBondContact O-N 3.48Å; P118-I120 VanDerWaalsContact C-N 3.35Å; P118-I120 PolarHBondContact O-N 3.27Å; I120-M123 WeakPolarHBondContact O-CB 3.3Å; I120-M123 PolarHBondContact O-N 2.76Å
121R82.9Confident84.7Confident84 Ų8462.3 Ų62.332%0.31731%0.311SS..Hα-helixtrans-67.8-37.2179.2-177.759.9179.6-151.10.3112.7F117 P118 M123 G124F117-R121 HydrophobicContact CE1-CB 4.39Å; F117-R121 PolarHBondContact O-N 2.96Å; P118-R121 PolarHBondContact O-N 3.35Å; R121-M123 PolarHBondContact O-N 3.2Å; R121-G124 WeakPolarHBondContact O-CA 3.45Å; R121-G124 PolarHBondContact O-N 2.85Å
122V83.6Confident85.4Confident70 Ų7056.6 Ų56.642%0.42428%0.275SS..Hα-helixtrans-54.5-35.5173.71680000111.6P118 G124 T125 I126P118-V122 WeakPolarHBondContact O-CG2 3.46Å; P118-V122 PolarHBondContact O-N 3.45Å; V122-G124 PolarHBondContact O-N 3.46Å; V122-T125 PolarHBondContact O-N 2.67Å; V122-T125 VanDerWaalsContact O-N 3.12Å; V122-I126 HydrophobicContact CG1-CD1 3.94Å; V122-I126 HydrophobicContact CG1-CG1 4.34Å; V122-I126 WeakPolarHBondContact O-CG1 3.45Å; V122-I126 PolarHBondContact O-N 3.32Å
123M91.4Very high86.1Confident90 Ų9057.1 Ų57.144%0.44328%0.277SS..Hα-helixtrans-61.6-26.3175.1-61.6-65.4139.700112.9M1 F2 I120 R121 I126 G127M1-M123 HydrophobicContact CB-CB 4.46Å; F2-M123 WeakPolarHBondContact CA-O 3.31Å; F2-M123 HydrophobicContact CB-CB 4.38Å; I120-M123 WeakPolarHBondContact O-CB 3.3Å; I120-M123 PolarHBondContact O-N 2.76Å; R121-M123 PolarHBondContact O-N 3.2Å; M123-I126 HydrophobicContact CE-CD1 4.03Å; M123-I126 HydrophobicContact SD-CD1 4.03Å; M123-G127 PolarHBondContact O-N 3.14Å
124G91.2Very high87.2Confident0 Ų055.3 Ų55.30%027%0.268CS..Hα-helixtrans-65-50171.600000112W5 R121 V122 I126 G127 W128W5-G124 WeakPolarHBondContact CB-O 3.38Å; W5-G124 VanDerWaalsContact CD1-CA 3.44Å; R121-G124 WeakPolarHBondContact O-CA 3.45Å; R121-G124 PolarHBondContact O-N 2.85Å; V122-G124 PolarHBondContact O-N 3.46Å; G124-I126 VanDerWaalsContact C-N 3.28Å; G124-I126 PolarHBondContact O-N 2.9Å; G124-G127 WeakPolarHBondContact O-CA 3.36Å; G124-G127 PolarHBondContact O-N 2.96Å; G124-W128 PolarHBondContact O-N 3.13Å
125T89.2Confident88.6Confident30 Ų3047 Ų4718%0.18423%0.229CC..Hα-helixtrans-59.5-41175.9-49.80000111.5V122 G127 W128 I129 Q242 I246V122-T125 PolarHBondContact O-N 2.67Å; V122-T125 VanDerWaalsContact O-N 3.12Å; T125-G127 VanDerWaalsContact C-N 3.31Å; T125-G127 PolarHBondContact O-N 3.39Å; T125-W128 WeakPolarHBondContact O-CB 3.39Å; T125-W128 PolarHBondContact O-N 2.83Å; T125-I129 HydrophobicContact CG2-CD1 4.27Å; T125-I129 WeakPolarHBondContact O-CG1 3.33Å; T125-I129 PolarHBondContact O-N 3.48Å; T125-Q242 HydrophobicContact CG2-CB 4.16Å; T125-I246 HydrophobicContact CG2-CD1 3.84Å; T125-I246 HydrophobicContact CG2-CG1 3.85Å
126I91.9Very high89.3Confident65 Ų6540.7 Ų40.733%0.33321%0.206SC..Hα-helixtrans-63-39.9174.5-60.1170.8000110.6F2 V122 M123 G124 I129 A130F2-I126 HydrophobicContact CD2-CG2 4.29Å; F2-I126 HydrophobicContact CE2-CG2 3.98Å; V122-I126 HydrophobicContact CG1-CD1 3.94Å; V122-I126 HydrophobicContact CG1-CG1 4.34Å; V122-I126 WeakPolarHBondContact O-CG1 3.45Å; V122-I126 PolarHBondContact O-N 3.32Å; M123-I126 HydrophobicContact CE-CD1 4.03Å; M123-I126 HydrophobicContact SD-CD1 4.03Å; G124-I126 VanDerWaalsContact C-N 3.28Å; G124-I126 PolarHBondContact O-N 2.9Å; I126-I129 PolarHBondContact O-N 3.11Å; I126-A130 VanDerWaalsContact O-CB 3.25Å; I126-A130 WeakPolarHBondContact O-CB 3.47Å; I126-A130 PolarHBondContact O-N 3.44Å
127G95Very high89.9Confident0 Ų041.6 Ų41.60%021%0.208CC..Hα-helixtrans-59.4-44.8173.800000112.8F2 F6 M123 G124 T125 A130 S131F2-G127 WeakPolarHBondContact O-CA 3.46Å; F6-G127 WeakPolarHBondContact CA-O 3.36Å; F6-G127 WeakPolarHBondContact CD2-O 3.42Å; M123-G127 PolarHBondContact O-N 3.14Å; G124-G127 WeakPolarHBondContact O-CA 3.36Å; G124-G127 PolarHBondContact O-N 2.96Å; T125-G127 VanDerWaalsContact C-N 3.31Å; T125-G127 PolarHBondContact O-N 3.39Å; G127-A130 PolarHBondContact O-N 2.93Å; G127-S131 PolarHBondContact O-N 3.45Å
128W94.6Very high90.6Very high32 Ų3244 Ų4412%0.12122%0.222CC..Hα-helixtrans-60.9-48.9174.8-175.4-79.3000111.8W5 W8 F12 V13 G124 T125 A130 S131 G132 Q242W5-W128 HydrophobicContact CE3-CE3 4.12Å; W8-W128 HydrophobicContact CB-CE3 4.21Å; W8-W128 HydrophobicContact CB-CZ3 3.8Å; W8-W128 AromaticContact CD2-CZ3 3.86Å; W8-W128 HydrophobicContact CD2-CZ3 3.86Å; W8-W128 HydrophobicContact CE3-CZ3 4.35Å; W8-W128 HydrophobicContact CG-CE3 4.47Å; W8-W128 HydrophobicContact CG-CH2 4.44Å; W8-W128 AromaticContact CG-CZ3 3.62Å; W8-W128 HydrophobicContact CG-CZ3 3.62Å; F12-W128 HydrophobicContact CD1-CH2 4.09Å; V13-W128 HydrophobicContact CG2-CH2 4.4Å; V13-W128 HydrophobicContact CG2-CZ2 3.65Å; G124-W128 PolarHBondContact O-N 3.13Å; T125-W128 WeakPolarHBondContact O-CB 3.39Å; T125-W128 PolarHBondContact O-N 2.83Å; W128-A130 VanDerWaalsContact C-N 3.33Å; W128-A130 PolarHBondContact O-N 3.25Å; W128-S131 WeakPolarHBondContact O-CB 3.36Å; W128-S131 PolarHBondContact O-N 3.33Å; W128-S131 VanDerWaalsContact O-N 3.15Å; W128-S131 PolarHBondContact O-OG 2.82Å; W128-G132 PolarHBondContact O-N 3.4Å; W128-Q242 HydrophobicContact CG-CG 4.3Å
129I94.4Very high91.4Very high10 Ų1041.2 Ų41.25%0.05120%0.204CC..Hα-helixtrans-57.8-48176.2-69166.2000110.3T125 I126 S131 G132 L133 Q242 F243 I246T125-I129 HydrophobicContact CG2-CD1 4.27Å; T125-I129 WeakPolarHBondContact O-CG1 3.33Å; T125-I129 PolarHBondContact O-N 3.48Å; I126-I129 PolarHBondContact O-N 3.11Å; I129-S131 PolarHBondContact O-N 2.86Å; I129-G132 PolarHBondContact O-N 3.48Å; I129-G132 VanDerWaalsContact O-N 3.12Å; I129-L133 HydrophobicContact CG2-CD1 4.02Å; I129-L133 HydrophobicContact CG2-CG 4.25Å; I129-L133 WeakPolarHBondContact O-CG 3.41Å; I129-L133 PolarHBondContact O-N 3.03Å; I129-Q242 HydrophobicContact CD1-CB 4.17Å; I129-Q242 HydrophobicContact CG1-CB 3.84Å; I129-F243 HydrophobicContact CD1-CD1 4.46Å; I129-F243 HydrophobicContact CD1-CD2 4.04Å; I129-F243 HydrophobicContact CD1-CE1 4.42Å; I129-F243 HydrophobicContact CD1-CE2 4Å; I129-F243 HydrophobicContact CD1-CG 4.27Å; I129-F243 HydrophobicContact CD1-CZ 4.2Å; I129-F243 HydrophobicContact CG1-CD2 4.44Å; I129-F243 HydrophobicContact CG1-CE2 4.35Å; I129-F243 HydrophobicContact CG2-CD2 4.36Å; I129-F243 HydrophobicContact CG2-CE2 3.53Å; I129-F243 HydrophobicContact CG2-CZ 3.96Å; I129-I246 HydrophobicContact CD1-CD1 4.06Å
130A96.1Very high91.8Very high24 Ų2436.1 Ų36.120%0.19819%0.188CC..Hα-helixtrans-58.4-35.8179.100000112.1F2 F6 I126 G127 W128 L133 A134F2-A130 HydrophobicContact CE2-CB 3.99Å; F2-A130 HydrophobicContact CZ-CB 3.73Å; F6-A130 HydrophobicContact CD2-CB 4.02Å; F6-A130 HydrophobicContact CE2-CB 4.28Å; I126-A130 VanDerWaalsContact O-CB 3.25Å; I126-A130 WeakPolarHBondContact O-CB 3.47Å; I126-A130 PolarHBondContact O-N 3.44Å; G127-A130 PolarHBondContact O-N 2.93Å; W128-A130 VanDerWaalsContact C-N 3.33Å; W128-A130 PolarHBondContact O-N 3.25Å; A130-L133 PolarHBondContact O-N 3.18Å; A130-A134 WeakPolarHBondContact O-CB 3.32Å; A130-A134 PolarHBondContact O-N 2.83Å
131S96Very high92Very high1 Ų139.9 Ų39.91%0.00721%0.207CC..Hα-helixtrans-66-42176.177.30000112.9F6 G9 A10 G127 W128 I129 A134 C135F6-S131 VanDerWaalsContact CE2-CA 3.43Å; F6-S131 VanDerWaalsContact O-CB 3.27Å; F6-S131 WeakPolarHBondContact O-CB 3.33Å; G9-S131 VanDerWaalsContact CA-OG 3.22Å; G9-S131 WeakPolarHBondContact CA-OG 3.31Å; A10-S131 PolarHBondContact N-OG 2.89Å; G127-S131 PolarHBondContact O-N 3.45Å; W128-S131 WeakPolarHBondContact O-CB 3.36Å; W128-S131 PolarHBondContact O-N 3.33Å; W128-S131 VanDerWaalsContact O-N 3.15Å; W128-S131 PolarHBondContact O-OG 2.82Å; I129-S131 PolarHBondContact O-N 2.86Å; S131-A134 PolarHBondContact O-N 3.47Å; S131-C135 WeakPolarHBondContact O-CB 3.25Å; S131-C135 PolarHBondContact O-N 3.27Å; S131-C135 PolarHBondContact O-SG 2.96Å; S131-C135 VanDerWaalsContact O-SG 3.35Å
132G93.3Very high92.5Very high3 Ų341.1 Ų41.13%0.03122%0.219CC..Hα-helixtrans-68.1-36.417600000112.3W128 I129 G136W128-G132 PolarHBondContact O-N 3.4Å; I129-G132 PolarHBondContact O-N 3.48Å; I129-G132 VanDerWaalsContact O-N 3.12Å; G132-G136 WeakPolarHBondContact O-CA 3.39Å; G132-G136 PolarHBondContact O-N 3.35Å
133L94.7Very high92.8Very high72 Ų7241 Ų4138%0.37723%0.232SC..Hα-helixtrans-66.3-41.8172.3-62.6-179.8000111.8I129 A130 F137 L138I129-L133 HydrophobicContact CG2-CD1 4.02Å; I129-L133 HydrophobicContact CG2-CG 4.25Å; I129-L133 WeakPolarHBondContact O-CG 3.41Å; I129-L133 PolarHBondContact O-N 3.03Å; A130-L133 PolarHBondContact O-N 3.18Å; L133-F137 HydrophobicContact CD2-CD2 3.68Å; L133-F137 HydrophobicContact CD2-CE2 4.1Å; L133-F137 PolarHBondContact O-N 3.31Å; L133-L138 WeakPolarHBondContact O-CB 3.33Å; L133-L138 PolarHBondContact O-N 3.1Å
134A94.6Very high92.7Very high21 Ų2144.6 Ų44.617%0.17424%0.242CC..Hα-helixtrans-70.2-38.1-179.500000113F6 A130 S131 L138 P139F6-A134 HydrophobicContact CE2-CB 4.02Å; F6-A134 HydrophobicContact CZ-CB 3.99Å; A130-A134 WeakPolarHBondContact O-CB 3.32Å; A130-A134 PolarHBondContact O-N 2.83Å; S131-A134 PolarHBondContact O-N 3.47Å; A134-L138 HydrophobicContact CB-CD2 4.36Å; A134-P139 WeakPolarHBondContact O-CD 3.49Å
135C93.6Very high92.6Very high1 Ų148.4 Ų48.41%0.00727%0.274CS..Hα-helixtrans-86.7-27.4179-61.20000112.8S131 I147 T235S131-C135 WeakPolarHBondContact O-CB 3.25Å; S131-C135 PolarHBondContact O-N 3.27Å; S131-C135 PolarHBondContact O-SG 2.96Å; S131-C135 VanDerWaalsContact O-SG 3.35Å; C135-I147 WeakPolarHBondContact O-CG1 3.28Å; C135-T235 HydrophobicContact CB-CG2 4.2Å
136G92.1Very high92.6Very high0 Ų049.4 Ų49.40%028%0.278CS..Hα-helixtrans-91.9-71.4-178.600000113.8G132G132-G136 WeakPolarHBondContact O-CA 3.39Å; G132-G136 PolarHBondContact O-N 3.35Å
137F93.5Very high92.7Very high45 Ų4547.2 Ų47.220%0.19727%0.267CS..THydrogen-bonded Turntrans-86.8-39.1-169.2-67.2-65.5000114.1L133 P139 Q140 I141 N233 G236 W237L133-F137 HydrophobicContact CD2-CD2 3.68Å; L133-F137 HydrophobicContact CD2-CE2 4.1Å; L133-F137 PolarHBondContact O-N 3.31Å; F137-P139 VanDerWaalsContact C-CD 3.44Å; F137-Q140 PolarHBondContact O-N 3.21Å; F137-I141 HydrophobicContact CB-CD1 4.02Å; F137-I141 WeakPolarHBondContact O-CG1 3.43Å; F137-I141 PolarHBondContact O-N 2.94Å; F137-N233 HydrophobicContact CD1-CB 3.96Å; F137-N233 WeakPolarHBondContact CD1-ND2 3.37Å; F137-N233 HydrophobicContact CE1-CB 3.58Å; F137-N233 HydrophobicContact CZ-CB 4.26Å; F137-G236 VanDerWaalsContact CE2-C 3.41Å; F137-G236 VanDerWaalsContact CE2-CA 3.49Å; F137-W237 HydrophobicContact CE1-CD2 4.49Å; F137-W237 HydrophobicContact CE1-CZ2 4.35Å; F137-W237 AromaticContact CZ-CD2 3.68Å; F137-W237 HydrophobicContact CZ-CD2 3.68Å; F137-W237 AromaticContact CZ-CE2 3.67Å; F137-W237 HydrophobicContact CZ-CE3 4.1Å; F137-W237 AromaticContact CZ-CG 4Å; F137-W237 HydrophobicContact CZ-CG 4Å; F137-W237 HydrophobicContact CZ-CZ2 4.1Å; F137-W237 HydrophobicContact CZ-CZ3 4.5Å; F137-W237 AromaticContact CZ-NE1 3.92Å
138L92.9Very high92.5Very high82 Ų8247.3 Ų47.343%0.42927%0.267SS..Hα-helixtrans-55.5-43.4-172.2-177.763000113.9L133 A134 Q140 I141 L142L133-L138 WeakPolarHBondContact O-CB 3.33Å; L133-L138 PolarHBondContact O-N 3.1Å; A134-L138 HydrophobicContact CB-CD2 4.36Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 3.07Å; L138-I141 PolarHBondContact O-N 3.15Å; L138-L142 HydrophobicContact CD1-CD1 3.96Å; L138-L142 HydrophobicContact CD1-CG 4.07Å; L138-L142 HydrophobicContact CG-CD1 3.92Å; L138-L142 HydrophobicContact CG-CG 4.41Å; L138-L142 WeakPolarHBondContact O-CB 3.33Å; L138-L142 VanDerWaalsContact O-CG 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.47Å; L138-L142 PolarHBondContact O-N 3.49Å
139P92.2Very high92.3Very high10 Ų1047 Ų477%0.06527%0.269CS..Hα-helixtrans-59.7-41.8-179.2-23.836000112A134 F137 L142 G143 Y144 I147A134-P139 WeakPolarHBondContact O-CD 3.49Å; F137-P139 VanDerWaalsContact C-CD 3.44Å; P139-L142 CarbonylContact O-C 3.52Å; P139-L142 PolarHBondContact O-N 2.94Å; P139-G143 PolarHBondContact O-N 3.3Å; P139-Y144 WeakPolarHBondContact O-CA 3.35Å; P139-Y144 WeakPolarHBondContact O-CB 3.37Å; P139-Y144 PolarHBondContact O-N 3.45Å; P139-I147 HydrophobicContact CB-CG2 3.99Å; P139-I147 HydrophobicContact CG-CD1 3.55Å; P139-I147 HydrophobicContact CG-CG1 3.76Å; P139-I147 HydrophobicContact CG-CG2 4.12Å
140Q89.1Confident92.3Very high63 Ų6348.4 Ų48.429%0.29428%0.278SS..Hα-helixtrans-75.9-34.8-178.3-63.9159.3-7.400112.7F137 L138 L142 G143 Y144 N233F137-Q140 PolarHBondContact O-N 3.21Å; L138-Q140 VanDerWaalsContact C-N 3.29Å; L138-Q140 PolarHBondContact O-N 3.07Å; Q140-L142 PolarHBondContact O-N 3.34Å; Q140-G143 PolarHBondContact O-N 3.44Å; Q140-Y144 WeakPolarHBondContact CA-O 3.32Å; Q140-N233 PolarHBondContact NE2-OD1 3.22Å; Q140-N233 PolarHBondContact OE1-ND2 3.42Å; Q140-N233 PolarHBondContact OE1-OD1 2.95Å
141I90.4Very high92.3Very high134 Ų13449.9 Ų49.969%0.68728%0.283SS*.Hα-helixtrans-60.3-36.1170.5-67.8168.4000110.2F137 L138 G143F137-I141 HydrophobicContact CB-CD1 4.02Å; F137-I141 WeakPolarHBondContact O-CG1 3.43Å; F137-I141 PolarHBondContact O-N 2.94Å; L138-I141 PolarHBondContact O-N 3.15Å; I141-G143 VanDerWaalsContact C-N 3.25Å; I141-G143 PolarHBondContact O-N 2.86Å
142L92Very high92.3Very high110 Ų11053.1 Ų53.158%0.57630%0.299SS*.THydrogen-bonded Turntrans-811.5174.9-63.7174.6000113.8L138 P139 Q140 Y144L138-L142 HydrophobicContact CD1-CD1 3.96Å; L138-L142 HydrophobicContact CD1-CG 4.07Å; L138-L142 HydrophobicContact CG-CD1 3.92Å; L138-L142 HydrophobicContact CG-CG 4.41Å; L138-L142 WeakPolarHBondContact O-CB 3.33Å; L138-L142 VanDerWaalsContact O-CG 3.27Å; L138-L142 WeakPolarHBondContact O-CG 3.47Å; L138-L142 PolarHBondContact O-N 3.49Å; P139-L142 CarbonylContact O-C 3.52Å; P139-L142 PolarHBondContact O-N 2.94Å; Q140-L142 PolarHBondContact O-N 3.34Å; L142-Y144 HydrophobicContact CB-CD2 3.75Å; L142-Y144 HydrophobicContact CB-CE2 3.92Å
143G89.8Confident92.5Very high68 Ų6853 Ų5370%0.70130%0.298SS*.THydrogen-bonded Turntrans849.4178.400000115.7P139 Q140 I141P139-G143 PolarHBondContact O-N 3.3Å; Q140-G143 PolarHBondContact O-N 3.44Å; I141-G143 VanDerWaalsContact C-N 3.25Å; I141-G143 PolarHBondContact O-N 2.86Å
144Y90.7Very high92.6Very high166 Ų16649.6 Ų49.665%0.65128%0.28SS*.PPolyproline II helixtrans-88162.5172.9-59.5-73.7000112.1P139 Q140 L142P139-Y144 WeakPolarHBondContact O-CA 3.35Å; P139-Y144 WeakPolarHBondContact O-CB 3.37Å; P139-Y144 PolarHBondContact O-N 3.45Å; Q140-Y144 WeakPolarHBondContact CA-O 3.32Å; L142-Y144 HydrophobicContact CB-CD2 3.75Å; L142-Y144 HydrophobicContact CB-CE2 3.92Å
145A88.5Confident92.7Very high80 Ų8051.7 Ų51.766%0.66129%0.288SS*.PPolyproline II helixtrans-68.316417200000111.9I147A145-I147 PolarHBondContact O-N 3.42Å
146D89.3Confident92.9Very high50 Ų5054 Ų5427%0.26730%0.3SS..PPolyproline II helixtrans-59.3121.8172.2-174.45.2000110.4S148 P149D146-S148 WeakPolarHBondContact OD1-CB 3.26Å; D146-S148 PolarHBondContact OD1-N 3.32Å; D146-S148 PolarHBondContact OD1-OG 2.9Å; D146-P149 WeakPolarHBondContact O-CD 3.42Å
147I93.7Very high93.2Very high20 Ų2054 Ų5410%0.10330%0.3CS..  trans-91.4-12.3-179.670.7178.4000112.4C135 P139 A145 P149 T150 I152 P153 I156C135-I147 WeakPolarHBondContact O-CG1 3.28Å; P139-I147 HydrophobicContact CB-CG2 3.99Å; P139-I147 HydrophobicContact CG-CD1 3.55Å; P139-I147 HydrophobicContact CG-CG1 3.76Å; P139-I147 HydrophobicContact CG-CG2 4.12Å; A145-I147 PolarHBondContact O-N 3.42Å; I147-P149 VanDerWaalsContact C-N 3.31Å; I147-T150 WeakPolarHBondContact O-CB 3.19Å; I147-T150 PolarHBondContact O-N 3.03Å; I147-T150 PolarHBondContact O-OG1 2.9Å; I147-I152 HydrophobicContact CB-CB 4.22Å; I147-I152 HydrophobicContact CB-CD1 4.16Å; I147-I152 HydrophobicContact CB-CG2 4.4Å; I147-I152 HydrophobicContact CD1-CB 4.48Å; I147-I152 HydrophobicContact CD1-CG2 3.88Å; I147-I152 HydrophobicContact CG2-CD1 3.89Å; I147-P153 HydrophobicContact CG1-CG 4.44Å; I147-P153 WeakPolarHBondContact O-CD 3.35Å; I147-I156 HydrophobicContact CD1-CD1 3.94Å
148S91Very high93.4Very high1 Ų152.2 Ų52.21%0.00729%0.294CS..THydrogen-bonded Turntrans-51-40.5179.9-51.10000113.9D146 T150 T235D146-S148 WeakPolarHBondContact OD1-CB 3.26Å; D146-S148 PolarHBondContact OD1-N 3.32Å; D146-S148 PolarHBondContact OD1-OG 2.9Å; S148-T150 PolarHBondContact O-N 3.1Å; S148-T235 WeakPolarHBondContact CB-OG1 3.3Å; S148-T235 PolarHBondContact OG-OG1 3.3Å
149P91.4Very high93.6Very high26 Ų2650.4 Ų50.417%0.16930%0.295CS..THydrogen-bonded Turntrans-85.817.9178.436.6-37.9000113.9L17 K21 D146 I147L17-P149 HydrophobicContact CB-CB 4.35Å; K21-P149 HydrophobicContact CD-CB 3.77Å; D146-P149 WeakPolarHBondContact O-CD 3.42Å; I147-P149 VanDerWaalsContact C-N 3.31Å
150T94.3Very high93.9Very high39 Ų3950.8 Ų50.824%0.23930%0.298CS..SBendtrans-117.9174.1-179.3750000110.8W18 I147 S148 I152 P153W18-T150 WeakPolarHBondContact CB-O 3.49Å; I147-T150 WeakPolarHBondContact O-CB 3.19Å; I147-T150 PolarHBondContact O-N 3.03Å; I147-T150 PolarHBondContact O-OG1 2.9Å; S148-T150 PolarHBondContact O-N 3.1Å; T150-I152 PolarHBondContact O-N 3.36Å; T150-I152 WeakPolarHBondContact OG1-CB 3.48Å; T150-I152 VanDerWaalsContact OG1-CG1 3.31Å; T150-I152 WeakPolarHBondContact OG1-CG1 3.1Å; T150-I152 PolarHBondContact OG1-N 3.11Å; T150-P153 WeakPolarHBondContact O-CD 3.47Å
151N94.9Very high94.3Very high55 Ų5547.9 Ų47.929%0.29428%0.284SS..SBendtrans-79.1-2.717366.5-16.9000113.5W18 A76 L154 L155W18-N151 HydrophobicContact CZ2-CB 3.99Å; A76-N151 HydrophobicContact CB-CB 4.38Å; A76-N151 VanDerWaalsContact O-CB 3.27Å; A76-N151 WeakPolarHBondContact O-CB 3.34Å; A76-N151 PolarHBondContact O-ND2 2.87Å; N151-L154 WeakPolarHBondContact O-CB 3.05Å; N151-L154 PolarHBondContact O-N 3.18Å; N151-L154 VanDerWaalsContact O-N 3.15Å; N151-L155 PolarHBondContact O-N 3.22Å; N151-L155 VanDerWaalsContact O-N 3.16Å
152I96.3Very high94.7Very high70 Ų7043.1 Ų43.136%0.35927%0.265SS..Hα-helixtrans-58.2-41.9-178.2-61.8171.7000112.4I147 T150 L154 L155 I156I147-I152 HydrophobicContact CB-CB 4.22Å; I147-I152 HydrophobicContact CB-CD1 4.16Å; I147-I152 HydrophobicContact CB-CG2 4.4Å; I147-I152 HydrophobicContact CD1-CB 4.48Å; I147-I152 HydrophobicContact CD1-CG2 3.88Å; I147-I152 HydrophobicContact CG2-CD1 3.89Å; T150-I152 PolarHBondContact O-N 3.36Å; T150-I152 WeakPolarHBondContact OG1-CB 3.48Å; T150-I152 VanDerWaalsContact OG1-CG1 3.31Å; T150-I152 WeakPolarHBondContact OG1-CG1 3.1Å; T150-I152 PolarHBondContact OG1-N 3.11Å; I152-L154 VanDerWaalsContact C-N 3.27Å; I152-L154 PolarHBondContact O-N 3.29Å; I152-L155 CarbonylContact O-C 3.51Å; I152-L155 WeakPolarHBondContact O-CA 3.45Å; I152-L155 WeakPolarHBondContact O-CB 3.42Å; I152-L155 PolarHBondContact O-N 3.07Å; I152-I156 HydrophobicContact CG2-CD1 4.03Å; I152-I156 HydrophobicContact CG2-CG1 4.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.36Å; I152-I156 PolarHBondContact O-N 3.29Å
153P96.8Very high94.9Very high0 Ų043 Ų430%027%0.265CS..Hα-helixtrans-58.6-36.9176.4-23.934.9000113.3A10 P14 I147 T150 L155 I156 T157A10-P153 VanDerWaalsContact O-CB 3.26Å; A10-P153 WeakPolarHBondContact O-CB 3.46Å; P14-P153 HydrophobicContact CB-CB 4.48Å; P14-P153 HydrophobicContact CB-CG 4.27Å; P14-P153 HydrophobicContact CG-CB 3.62Å; P14-P153 HydrophobicContact CG-CG 3.92Å; I147-P153 HydrophobicContact CG1-CG 4.44Å; I147-P153 WeakPolarHBondContact O-CD 3.35Å; T150-P153 WeakPolarHBondContact O-CD 3.47Å; P153-L155 VanDerWaalsContact C-N 3.35Å; P153-I156 WeakPolarHBondContact O-CB 3.45Å; P153-I156 PolarHBondContact O-N 3.12Å; P153-T157 PolarHBondContact O-N 3.19Å; P153-T157 PolarHBondContact O-OG1 3.13Å
154L97.5Very high95.3Very high1 Ų140.1 Ų40.11%0.00523%0.233CC..Hα-helixtrans-67.9-35.8174.5-75.568000111.5W11 L15 W18 M72 A76 F84 N151 I152 T157 A158W11-L154 HydrophobicContact CB-CD1 4.45Å; W11-L154 HydrophobicContact CB-CG 4.36Å; L15-L154 HydrophobicContact CD1-CD1 4.41Å; W18-L154 HydrophobicContact CD2-CD1 4.5Å; W18-L154 HydrophobicContact CE3-CD1 3.93Å; W18-L154 HydrophobicContact CE3-CD2 3.88Å; W18-L154 HydrophobicContact CH2-CD2 3.78Å; W18-L154 HydrophobicContact CZ3-CD1 4.26Å; W18-L154 HydrophobicContact CZ3-CD2 3.34Å; W18-L154 HydrophobicContact CZ3-CG 4.46Å; M72-L154 HydrophobicContact CG-CB 4.34Å; M72-L154 VanDerWaalsContact CG-O 3.24Å; M72-L154 WeakPolarHBondContact CG-O 3.26Å; M72-L154 HydrophobicContact SD-CB 3.82Å; M72-L154 HydrophobicContact SD-CD2 3.95Å; M72-L154 HydrophobicContact SD-CG 3.76Å; A76-L154 HydrophobicContact CB-CB 3.74Å; A76-L154 HydrophobicContact CB-CD2 4.29Å; F84-L154 HydrophobicContact CE2-CD2 3.89Å; F84-L154 HydrophobicContact CZ-CD2 4.33Å; N151-L154 WeakPolarHBondContact O-CB 3.05Å; N151-L154 PolarHBondContact O-N 3.18Å; N151-L154 VanDerWaalsContact O-N 3.15Å; I152-L154 VanDerWaalsContact C-N 3.27Å; I152-L154 PolarHBondContact O-N 3.29Å; L154-T157 WeakPolarHBondContact O-CB 3.36Å; L154-T157 PolarHBondContact O-N 3.34Å; L154-A158 PolarHBondContact O-N 3.27Å
155L97.7Very high95.5Very high64 Ų6432.2 Ų32.234%0.33520%0.202SC..Hα-helixtrans-68.5-37.5173.6-64.5174.3000112.2Y73 A76 N151 I152 P153 T157 A158 G159Y73-L155 HydrophobicContact CD2-CD2 3.8Å; Y73-L155 HydrophobicContact CE2-CD2 4.17Å; A76-L155 HydrophobicContact CB-CD2 3.8Å; A76-L155 HydrophobicContact CB-CG 4.12Å; N151-L155 PolarHBondContact O-N 3.22Å; N151-L155 VanDerWaalsContact O-N 3.16Å; I152-L155 CarbonylContact O-C 3.51Å; I152-L155 WeakPolarHBondContact O-CA 3.45Å; I152-L155 WeakPolarHBondContact O-CB 3.42Å; I152-L155 PolarHBondContact O-N 3.07Å; P153-L155 VanDerWaalsContact C-N 3.35Å; L155-T157 VanDerWaalsContact C-N 3.32Å; L155-A158 PolarHBondContact O-N 3.05Å; L155-G159 PolarHBondContact O-N 3.01Å
156I97.1Very high95.9Very high49 Ų4931.9 Ų31.925%0.25119%0.191SC..Hα-helixtrans-59.7-46.6171.2-68.9170.3000109.2F6 A10 I147 I152 P153 A158 G159 S160F6-I156 HydrophobicContact CE1-CG2 3.86Å; F6-I156 HydrophobicContact CZ-CG2 4.28Å; A10-I156 HydrophobicContact CB-CG2 4.35Å; I147-I156 HydrophobicContact CD1-CD1 3.94Å; I152-I156 HydrophobicContact CG2-CD1 4.03Å; I152-I156 HydrophobicContact CG2-CG1 4.24Å; I152-I156 WeakPolarHBondContact O-CG1 3.36Å; I152-I156 PolarHBondContact O-N 3.29Å; P153-I156 WeakPolarHBondContact O-CB 3.45Å; P153-I156 PolarHBondContact O-N 3.12Å; I156-A158 PolarHBondContact O-N 2.88Å; I156-G159 PolarHBondContact O-N 3.44Å; I156-S160 WeakPolarHBondContact O-CB 3.27Å; I156-S160 PolarHBondContact O-N 3.41Å; I156-S160 PolarHBondContact O-OG 3.18Å; I156-S160 VanDerWaalsContact O-OG 3.13Å
157T97.8Very high96.2Very high0 Ų034.8 Ų34.80%020%0.202CC..Hα-helixtrans-57.9-47.4174.5-65.80000112I7 A10 W11 M72 Y91 P153 L154 L155 G159 S160 S161I7-T157 HydrophobicContact CG2-CG2 3.72Å; I7-T157 PolarHBondContact O-OG1 3.49Å; A10-T157 WeakPolarHBondContact CB-OG1 3.17Å; W11-T157 HydrophobicContact CB-CG2 4.22Å; W11-T157 WeakPolarHBondContact CB-OG1 3.15Å; W11-T157 VanDerWaalsContact CD1-CG2 3.47Å; W11-T157 HydrophobicContact CG-CG2 4.1Å; W11-T157 PolarHBondContact N-OG1 2.9Å; M72-T157 HydrophobicContact CE-CG2 4.14Å; M72-T157 HydrophobicContact CG-CG2 3.9Å; Y91-T157 WeakPolarHBondContact OH-CG2 3.38Å; P153-T157 PolarHBondContact O-N 3.19Å; P153-T157 PolarHBondContact O-OG1 3.13Å; L154-T157 WeakPolarHBondContact O-CB 3.36Å; L154-T157 PolarHBondContact O-N 3.34Å; L155-T157 VanDerWaalsContact C-N 3.32Å; T157-G159 VanDerWaalsContact C-N 3.32Å; T157-G159 PolarHBondContact O-N 3.37Å; T157-S160 PolarHBondContact O-N 3.12Å; T157-S161 WeakPolarHBondContact O-CB 3.39Å; T157-S161 PolarHBondContact O-N 2.68Å; T157-S161 PolarHBondContact O-OG 3.22Å
158A98Very high96.3Very high9 Ų933.8 Ų33.87%0.07420%0.197CC..Hα-helixtrans-58.4-44.517700000111.9A69 M72 L154 L155 I156 S161 A162A69-A158 WeakPolarHBondContact CB-O 3.47Å; M72-A158 HydrophobicContact CB-CB 4.14Å; M72-A158 HydrophobicContact CG-CB 4.19Å; L154-A158 PolarHBondContact O-N 3.27Å; L155-A158 PolarHBondContact O-N 3.05Å; I156-A158 PolarHBondContact O-N 2.88Å; A158-S161 PolarHBondContact O-N 3.07Å; A158-A162 PolarHBondContact O-N 3.38Å
159G97.8Very high96.4Very high44 Ų4439.5 Ų39.545%0.45422%0.221SC..Hα-helixtrans-64.2-44175.800000113.3L155 I156 T157 A162 L163L155-G159 PolarHBondContact O-N 3.01Å; I156-G159 PolarHBondContact O-N 3.44Å; T157-G159 VanDerWaalsContact C-N 3.32Å; T157-G159 PolarHBondContact O-N 3.37Å; G159-A162 PolarHBondContact O-N 2.98Å; G159-L163 PolarHBondContact O-N 3.48Å
160S97.7Very high96.5Very high18 Ų1845.9 Ų45.913%0.12625%0.247CC..Hα-helixtrans-66.4-37.2177-63.80000112.6F6 I156 T157 L163 L164F6-S160 WeakPolarHBondContact CE1-OG 3.4Å; I156-S160 WeakPolarHBondContact O-CB 3.27Å; I156-S160 PolarHBondContact O-N 3.41Å; I156-S160 PolarHBondContact O-OG 3.18Å; I156-S160 VanDerWaalsContact O-OG 3.13Å; T157-S160 PolarHBondContact O-N 3.12Å; S160-L163 WeakPolarHBondContact O-CB 3.36Å; S160-L163 PolarHBondContact O-N 3.4Å; S160-L164 PolarHBondContact O-N 3.41Å
161S98Very high96.4Very high1 Ų146 Ų461%0.00725%0.246CC..Hα-helixtrans-63.7-44.3172.6-69.60000111.5I7 T157 A158 L163 L164 G165I7-S161 WeakPolarHBondContact CG2-OG 3.35Å; T157-S161 WeakPolarHBondContact O-CB 3.39Å; T157-S161 PolarHBondContact O-N 2.68Å; T157-S161 PolarHBondContact O-OG 3.22Å; A158-S161 PolarHBondContact O-N 3.07Å; S161-L163 VanDerWaalsContact C-N 3.32Å; S161-L163 PolarHBondContact O-N 3.2Å; S161-L164 PolarHBondContact O-N 3.49Å; S161-G165 PolarHBondContact O-N 3.27Å
162A97.9Very high96Very high34 Ų3446.4 Ų46.428%0.28125%0.252SS..Hα-helixtrans-61.7-41.217500000111.9A69 A158 G159 G165 V166A69-A162 HydrophobicContact CB-CB 4.03Å; A158-A162 PolarHBondContact O-N 3.38Å; G159-A162 PolarHBondContact O-N 2.98Å; A162-G165 PolarHBondContact O-N 2.93Å; A162-V166 WeakPolarHBondContact O-CG2 3.1Å; A162-V166 PolarHBondContact O-N 3.18Å
163L97.2Very high95.6Very high109 Ų10948.1 Ų48.157%0.57126%0.261SS*.Hα-helixtrans-60.6-45.2175.2-179.767.7000111.8G159 S160 S161 G165 V166 F167G159-L163 PolarHBondContact O-N 3.48Å; S160-L163 WeakPolarHBondContact O-CB 3.36Å; S160-L163 PolarHBondContact O-N 3.4Å; S161-L163 VanDerWaalsContact C-N 3.32Å; S161-L163 PolarHBondContact O-N 3.2Å; L163-G165 VanDerWaalsContact C-N 3.34Å; L163-V166 PolarHBondContact O-N 3.09Å; L163-F167 WeakPolarHBondContact O-CB 3.37Å; L163-F167 PolarHBondContact O-N 2.89Å
164L96.9Very high95Very high7 Ų748.6 Ų48.64%0.03726%0.264CS..Hα-helixtrans-66.8-36.5176.5-175.553.1000112V3 E4 I7 M65 S160 S161 V166 F167 A168V3-L164 HydrophobicContact CB-CB 4.49Å; V3-L164 HydrophobicContact CB-CD1 4.35Å; V3-L164 HydrophobicContact CB-CD2 4.48Å; V3-L164 HydrophobicContact CG1-CB 3.86Å; V3-L164 HydrophobicContact CG1-CD2 4.43Å; E4-L164 HydrophobicContact CB-CD2 4.16Å; E4-L164 WeakPolarHBondContact OE2-CD2 3.42Å; I7-L164 HydrophobicContact CD1-CB 4.06Å; I7-L164 HydrophobicContact CD1-CD2 3.75Å; M65-L164 HydrophobicContact CE-CD2 3.86Å; M65-L164 HydrophobicContact CG-CB 4.37Å; M65-L164 HydrophobicContact CG-CD2 4.33Å; M65-L164 HydrophobicContact CG-CG 4.15Å; M65-L164 HydrophobicContact SD-CB 4.19Å; M65-L164 HydrophobicContact SD-CD2 3.82Å; M65-L164 HydrophobicContact SD-CG 4.16Å; S160-L164 PolarHBondContact O-N 3.41Å; S161-L164 PolarHBondContact O-N 3.49Å; L164-V166 VanDerWaalsContact C-N 3.35Å; L164-V166 PolarHBondContact O-N 3.27Å; L164-F167 HydrophobicContact CD1-CD1 4.09Å; L164-F167 PolarHBondContact O-N 3.38Å; L164-A168 VanDerWaalsContact O-CB 3.3Å; L164-A168 WeakPolarHBondContact O-CB 3.49Å; L164-A168 PolarHBondContact O-N 2.94Å
165G96.7Very high94.1Very high0 Ų052.3 Ų52.30%029%0.289CS..Hα-helixtrans-60-43.1173.800000112.5A62 S161 A162 L163A62-G165 WeakPolarHBondContact CB-O 3.39Å; S161-G165 PolarHBondContact O-N 3.27Å; A162-G165 PolarHBondContact O-N 2.93Å; L163-G165 VanDerWaalsContact C-N 3.34Å
166V97Very high92.9Very high72 Ų7252.2 Ų52.244%0.43629%0.292SS..Hα-helixtrans-64.6-48.5172.8173.10000110.7F66 A162 L163 L164 A168 F169 F170F66-V166 HydrophobicContact CE1-CG2 4.08Å; F66-V166 HydrophobicContact CZ-CG2 3.7Å; A162-V166 WeakPolarHBondContact O-CG2 3.1Å; A162-V166 PolarHBondContact O-N 3.18Å; L163-V166 PolarHBondContact O-N 3.09Å; L164-V166 VanDerWaalsContact C-N 3.35Å; L164-V166 PolarHBondContact O-N 3.27Å; V166-A168 PolarHBondContact O-N 3.23Å; V166-F169 PolarHBondContact O-N 3.12Å; V166-F170 HydrophobicContact CG1-CE2 4Å; V166-F170 VanDerWaalsContact O-CD2 3.26Å; V166-F170 WeakPolarHBondContact O-CD2 3.22Å
167F95.7Very high91.2Very high111 Ų11158.3 Ų58.349%0.48732%0.317SS..Hα-helixtrans-60.8-33.9-179.7-176.2-113.6000112.7L163 L164 F169 F170 L171L163-F167 WeakPolarHBondContact O-CB 3.37Å; L163-F167 PolarHBondContact O-N 2.89Å; L164-F167 HydrophobicContact CD1-CD1 4.09Å; L164-F167 PolarHBondContact O-N 3.38Å; F167-F169 PolarHBondContact O-N 2.96Å; F167-F170 WeakPolarHBondContact O-CB 3.27Å; F167-F170 PolarHBondContact O-N 3.01Å; F167-L171 HydrophobicContact CD1-CD2 4.29Å; F167-L171 HydrophobicContact CD1-CG 4.47Å; F167-L171 HydrophobicContact CE1-CD2 3.67Å; F167-L171 HydrophobicContact CE1-CG 4.32Å; F167-L171 HydrophobicContact CZ-CD2 4.1Å; F167-L171 PolarHBondContact O-N 2.67Å
168A94.7Very high89Confident0 Ų060.9 Ų60.90%033%0.334CS..Hα-helixtrans-61-28.1179.600000113.3Q58 L61 A62 L164 V166 F170 L171Q58-A168 WeakPolarHBondContact CB-O 3.26Å; L61-A168 HydrophobicContact CB-CB 4.35Å; L61-A168 HydrophobicContact CD2-CB 3.92Å; L61-A168 HydrophobicContact CG-CB 3.94Å; A62-A168 HydrophobicContact CB-CB 3.87Å; L164-A168 VanDerWaalsContact O-CB 3.3Å; L164-A168 WeakPolarHBondContact O-CB 3.49Å; L164-A168 PolarHBondContact O-N 2.94Å; V166-A168 PolarHBondContact O-N 3.23Å; A168-F170 VanDerWaalsContact C-N 3.25Å; A168-F170 PolarHBondContact O-N 3.44Å; A168-L171 HydrophobicContact CB-CD1 4.35Å; A168-L171 WeakPolarHBondContact O-CB 3.18Å; A168-L171 PolarHBondContact O-N 3.28Å
169F92.6Very high86.4Confident120 Ų12067 Ų6753%0.52637%0.371SS..THydrogen-bonded Turntrans-71.5-18.3173.4-70.7-56.4000114.2A62 F66 V166 F167A62-F169 HydrophobicContact CB-CD1 4.01Å; A62-F169 HydrophobicContact CB-CD2 4.22Å; A62-F169 HydrophobicContact CB-CE1 3.64Å; A62-F169 HydrophobicContact CB-CE2 3.91Å; A62-F169 HydrophobicContact CB-CG 4.28Å; A62-F169 HydrophobicContact CB-CZ 3.59Å; F66-F169 HydrophobicContact CD2-CE2 4.5Å; F66-F169 HydrophobicContact CE2-CD2 4.34Å; F66-F169 AromaticContact CE2-CE2 3.6Å; F66-F169 HydrophobicContact CE2-CE2 3.6Å; F66-F169 HydrophobicContact CE2-CZ 4.34Å; F66-F169 HydrophobicContact CZ-CE2 4.36Å; V166-F169 PolarHBondContact O-N 3.12Å; F167-F169 PolarHBondContact O-N 2.96Å
170F93.5Very high84.1Confident161 Ų16167 Ų6771%0.70637%0.371SS*.THydrogen-bonded Turntrans-95.8-3.9175.6-60.2-84.1000112.7V166 F167 A168V166-F170 HydrophobicContact CG1-CE2 4Å; V166-F170 VanDerWaalsContact O-CD2 3.26Å; V166-F170 WeakPolarHBondContact O-CD2 3.22Å; F167-F170 WeakPolarHBondContact O-CB 3.27Å; F167-F170 PolarHBondContact O-N 3.01Å; A168-F170 VanDerWaalsContact C-N 3.25Å; A168-F170 PolarHBondContact O-N 3.44Å
171L92.1Very high81.6Confident40 Ų4074.3 Ų74.321%0.20940%0.4CS..SBendtrans-70.3149.8173.9-69.3174.9000110.4Q58 L61 I105 F167 A168Q58-L171 HydrophobicContact CB-CB 4.06Å; L61-L171 HydrophobicContact CD2-CD1 3.97Å; I105-L171 HydrophobicContact CD1-CD1 4.26Å; I105-L171 HydrophobicContact CG2-CB 4.5Å; I105-L171 HydrophobicContact CG2-CD1 4.31Å; F167-L171 HydrophobicContact CD1-CD2 4.29Å; F167-L171 HydrophobicContact CD1-CG 4.47Å; F167-L171 HydrophobicContact CE1-CD2 3.67Å; F167-L171 HydrophobicContact CE1-CG 4.32Å; F167-L171 HydrophobicContact CZ-CD2 4.1Å; F167-L171 PolarHBondContact O-N 2.67Å; A168-L171 HydrophobicContact CB-CD1 4.35Å; A168-L171 WeakPolarHBondContact O-CB 3.18Å; A168-L171 PolarHBondContact O-N 3.28Å
172P87.9Confident79.4Confident65 Ų6579.2 Ų79.242%0.42242%0.424SS..PPolyproline II helixtrans-52.5142.8176.1-26.534.8000112.7N109 T174N109-P172 HydrophobicContact CB-CB 4.41Å; N109-P172 HydrophobicContact CB-CG 4.36Å; N109-P172 WeakPolarHBondContact OD1-CB 3.12Å; P172-T174 PolarHBondContact O-N 3.18Å; P172-T174 PolarHBondContact O-OG1 3.49Å
173D86.1Confident77.7Confident105 Ų10581.1 Ų81.156%0.56143%0.43SS*.PPolyproline II helixtrans-64.1122.1179.6-167.825.2000110.5S56 Q58 P175S56-D173 WeakPolarHBondContact CB-OD1 3.2Å; Q58-D173 PolarHBondContact NE2-OD1 2.96Å; D173-P175 WeakPolarHBondContact O-CD 3.44Å
174T84.7Confident76.2Confident10 Ų1080.3 Ų80.36%0.06143%0.425CS..  trans-118.887.9-178.6-53.50000108.3S56 A57 A108 N109 P172S56-T174 CarbonylContact C-O 3.6Å; S56-T174 VanDerWaalsContact CA-O 3.28Å; S56-T174 WeakPolarHBondContact CA-O 3.26Å; S56-T174 WeakPolarHBondContact CB-O 3.47Å; A57-T174 HydrophobicContact CB-CG2 4.07Å; A57-T174 PolarHBondContact N-O 3.31Å; A108-T174 HydrophobicContact CB-CG2 3.59Å; N109-T174 PolarHBondContact ND2-OG1 3.44Å; N109-T174 VanDerWaalsContact ND2-OG1 3.1Å; P172-T174 PolarHBondContact O-N 3.18Å; P172-T174 PolarHBondContact O-OG1 3.49Å
175P79.1Confident74.7Confident80 Ų8085.8 Ų85.852%0.51945%0.449SS..  trans-67.7156.5-173.626.6-34.1000112.6D173D173-P175 WeakPolarHBondContact O-CD 3.44Å
176P71.5Confident73.1Confident61 Ų6190 Ų9040%0.39647%0.474SS..  trans-62.7140.5177.926-33.4000111.3D52D52-P176 WeakPolarHBondContact O-CB 3.26Å
177K61.4Low71.5Confident178 Ų17888.6 Ų88.677%0.77446%0.463SS*.  trans-106.1-17.3-172.7-71.6-172.7177-176.90115D52D52-K177 PolarHBondContact O-N 3.24Å; D52-K177 VanDerWaalsContact O-N 3.15Å
178S52.8Low70.3Confident53 Ų5384.8 Ų84.837%0.37145%0.448SS..  trans-116.5132.9-166.2-178.80000114.6D52 R53 G180D52-S178 PolarHBondContact O-N 2.88Å; R53-S178 WeakPolarHBondContact CG-O 3.39Å; S178-G180 PolarHBondContact OG-N 3.48Å
179T42.9Very low69Low139 Ų13984.8 Ų84.885%0.85345%0.448SS*.  trans-111.4-0.9171.351.10000113.8R53R53-T179 PolarHBondContact NH2-O 3.45Å
180G49Very low68.2Low43 Ų4382 Ų8244%0.44344%0.438SS..SBendtrans-87146-174.100000116.4R53 S178R53-G180 PolarHBondContact NE-O 3.04Å; R53-G180 PolarHBondContact NH1-O 3.32Å; R53-G180 PolarHBondContact NH2-O 2.99Å; S178-G180 PolarHBondContact OG-N 3.48Å
181K45.9Very low67Low171 Ų17177.8 Ų77.874%0.74342%0.423SS*.  trans-57.1146-174.1-78.4-178.2-179.5170.60113.1D183K181-D183 PolarHBondContact O-N 3.45Å
182M52.3Low66.5Low104 Ų10475.9 Ų75.951%0.51241%0.413SS..  trans-63.6111.8174.9-106.5174.164.400110M187M182-M187 HydrophobicContact CG-CE 4.41Å; M182-M187 HydrophobicContact CG-SD 4.13Å
183D62.5Low66.3Low75 Ų7576.7 Ų76.740%0.40141%0.414SS..  trans-110.9113.7162.5-169.6-11.8000109.4K181 K185 V186 M187K181-D183 PolarHBondContact O-N 3.45Å; D183-K185 PolarHBondContact O-N 3.43Å; D183-K185 WeakPolarHBondContact OD1-CB 3.45Å; D183-K185 PolarHBondContact OD1-N 3.14Å; D183-V186 HydrophobicContact CB-CB 4.34Å; D183-V186 HydrophobicContact CB-CG2 3.92Å; D183-V186 PolarHBondContact O-N 3.42Å; D183-M187 WeakPolarHBondContact O-CG 3.31Å; D183-M187 PolarHBondContact O-N 2.63Å; D183-M187 VanDerWaalsContact O-N 3.12Å
184I65.4Low66Low91 Ų9175 Ų7547%0.46740%0.404SS..Hα-helixtrans-58.4-31.4178.3-68.5172.2000110.7M187 L188I184-M187 PolarHBondContact O-N 3.35Å; I184-L188 HydrophobicContact CG2-CD1 3.66Å; I184-L188 HydrophobicContact CG2-CG 4.24Å; I184-L188 WeakPolarHBondContact O-CB 3.21Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 3.31Å
185K64.1Low65.9Low122 Ų12274.5 Ų74.553%0.5340%0.401SS..Hα-helixtrans-63.1-47.9177.8-66.9-177.9179.3178.30111.6D183 L188 G189 L190D183-K185 PolarHBondContact O-N 3.43Å; D183-K185 WeakPolarHBondContact OD1-CB 3.45Å; D183-K185 PolarHBondContact OD1-N 3.14Å; K185-L188 PolarHBondContact O-N 3.15Å; K185-G189 PolarHBondContact O-N 3.29Å; K185-G189 VanDerWaalsContact O-N 3.09Å; K185-L190 HydrophobicContact CB-CB 4.18Å; K185-L190 HydrophobicContact CG-CD1 4.27Å; K185-L190 PolarHBondContact O-N 2.88Å
186V64.5Low66.3Low88 Ų8872.6 Ų72.653%0.53339%0.386SS..Hα-helixtrans-64.5-43.8178.6-179.10000110.7D183 L188 G189 D191D183-V186 HydrophobicContact CB-CB 4.34Å; D183-V186 HydrophobicContact CB-CG2 3.92Å; D183-V186 PolarHBondContact O-N 3.42Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 2.98Å; V186-G189 PolarHBondContact O-N 2.78Å; V186-G189 VanDerWaalsContact O-N 3.08Å; V186-D191 WeakPolarHBondContact CG2-OD2 3.24Å
187M63.5Low66.8Low43 Ų4379.5 Ų79.521%0.21240%0.404CS..Hα-helixtrans-63.6-35.3-179.3-65.4176.8106.500113.3P44 M182 D183 I184 G189P44-M187 WeakPolarHBondContact O-CE 3.41Å; M182-M187 HydrophobicContact CG-CE 4.41Å; M182-M187 HydrophobicContact CG-SD 4.13Å; D183-M187 WeakPolarHBondContact O-CG 3.31Å; D183-M187 PolarHBondContact O-N 2.63Å; D183-M187 VanDerWaalsContact O-N 3.12Å; I184-M187 PolarHBondContact O-N 3.35Å; M187-G189 VanDerWaalsContact C-N 3.34Å
188L70.4Confident68Low31 Ų3173.1 Ų73.116%0.16238%0.378CS..THydrogen-bonded Turntrans-88.5-1.4177.3-66.9178000112.8I45 I184 K185 V186 L190 L333I45-L188 HydrophobicContact CD1-CD2 4.38Å; I45-L188 HydrophobicContact CG1-CD2 4.33Å; I184-L188 HydrophobicContact CG2-CD1 3.66Å; I184-L188 HydrophobicContact CG2-CG 4.24Å; I184-L188 WeakPolarHBondContact O-CB 3.21Å; I184-L188 WeakPolarHBondContact O-CG 3.42Å; I184-L188 PolarHBondContact O-N 3.31Å; K185-L188 PolarHBondContact O-N 3.15Å; V186-L188 VanDerWaalsContact C-N 3.31Å; V186-L188 PolarHBondContact O-N 2.98Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 HydrophobicContact CB-CD1 4.38Å; L188-L190 HydrophobicContact CB-CD2 4.25Å; L188-L190 HydrophobicContact CB-CG 3.86Å; L188-L190 HydrophobicContact CD1-CD1 4.39Å; L188-L190 PolarHBondContact O-N 2.85Å; L188-L333 HydrophobicContact CB-CD2 4.21Å; L188-L333 HydrophobicContact CD2-CD1 4.36Å; L188-L333 HydrophobicContact CD2-CD2 4.08Å
189G67.5Low69.7Low1 Ų178.9 Ų78.91%0.0140%0.397CS..THydrogen-bonded Turntrans67.424.4-176.800000113.9K185 V186 M187 D191 A192K185-G189 PolarHBondContact O-N 3.29Å; K185-G189 VanDerWaalsContact O-N 3.09Å; V186-G189 PolarHBondContact O-N 2.78Å; V186-G189 VanDerWaalsContact O-N 3.08Å; M187-G189 VanDerWaalsContact C-N 3.34Å; G189-D191 PolarHBondContact O-N 3.43Å; G189-A192 WeakPolarHBondContact O-CB 3.38Å; G189-A192 PolarHBondContact O-N 3.27Å; G189-A192 VanDerWaalsContact O-N 3.09Å
190L74.8Confident72Confident60 Ų6073.7 Ų73.731%0.31436%0.364SS..G310 helixtrans-67-20.3-175.8-62-176.9000113.1K185 L188 A192 L193K185-L190 HydrophobicContact CB-CB 4.18Å; K185-L190 HydrophobicContact CG-CD1 4.27Å; K185-L190 PolarHBondContact O-N 2.88Å; L188-L190 VanDerWaalsContact C-N 3.28Å; L188-L190 HydrophobicContact CB-CD1 4.38Å; L188-L190 HydrophobicContact CB-CD2 4.25Å; L188-L190 HydrophobicContact CB-CG 3.86Å; L188-L190 HydrophobicContact CD1-CD1 4.39Å; L188-L190 PolarHBondContact O-N 2.85Å; L190-A192 PolarHBondContact O-N 3.25Å; L190-L193 HydrophobicContact CB-CD1 4.19Å; L190-L193 HydrophobicContact CD2-CD1 4.13Å; L190-L193 WeakPolarHBondContact O-CB 3.28Å; L190-L193 WeakPolarHBondContact O-CD1 3.49Å; L190-L193 WeakPolarHBondContact O-CG 3.22Å; L190-L193 PolarHBondContact O-N 3.47Å
191D69.6Low74Confident74 Ų7471.7 Ų71.740%0.39634%0.343SS..G310 helixtrans-61.5-30.1173.6-53.7-37.1000111.1V186 G189 L193 M323V186-D191 WeakPolarHBondContact CG2-OD2 3.24Å; G189-D191 PolarHBondContact O-N 3.43Å; D191-L193 PolarHBondContact O-N 3.37Å; D191-M323 HydrophobicContact CB-CE 4.37Å; D191-M323 WeakPolarHBondContact O-CE 3.31Å
192A80Confident76.3Confident0 Ų067.4 Ų67.40%033%0.328CS..G310 helixtrans-73-2.8176.200000114.2G189 L190 I194 L195 A326 A327 L330G189-A192 WeakPolarHBondContact O-CB 3.38Å; G189-A192 PolarHBondContact O-N 3.27Å; G189-A192 VanDerWaalsContact O-N 3.09Å; L190-A192 PolarHBondContact O-N 3.25Å; A192-I194 PolarHBondContact O-N 2.93Å; A192-L195 HydrophobicContact CB-CD1 4.07Å; A192-L195 HydrophobicContact CB-CG 4.5Å; A192-L195 VanDerWaalsContact O-CB 3.28Å; A192-L195 WeakPolarHBondContact O-CB 3.34Å; A192-L195 WeakPolarHBondContact O-CG 3.3Å; A192-L195 PolarHBondContact O-N 3.37Å; A192-A326 HydrophobicContact CB-CB 4Å; A192-A327 HydrophobicContact CB-CB 4.11Å; A192-L330 HydrophobicContact CB-CB 4.39Å; A192-L330 HydrophobicContact CB-CD2 3.99Å
193L83.5Confident78.4Confident81 Ų8163.9 Ų63.942%0.42431%0.312SS..G310 helixtrans-60-26.8173.6-73.1173.1000112.4L190 D191 L195 L196 L330L190-L193 HydrophobicContact CB-CD1 4.19Å; L190-L193 HydrophobicContact CD2-CD1 4.13Å; L190-L193 WeakPolarHBondContact O-CB 3.28Å; L190-L193 WeakPolarHBondContact O-CD1 3.49Å; L190-L193 WeakPolarHBondContact O-CG 3.22Å; L190-L193 PolarHBondContact O-N 3.47Å; D191-L193 PolarHBondContact O-N 3.37Å; L193-L195 PolarHBondContact O-N 2.95Å; L193-L196 HydrophobicContact CD2-CD1 3.64Å; L193-L196 VanDerWaalsContact O-CB 3.28Å; L193-L196 WeakPolarHBondContact O-CB 3.07Å; L193-L196 PolarHBondContact O-N 2.91Å; L193-L330 HydrophobicContact CD2-CD1 4.15Å; L193-L330 HydrophobicContact CD2-CD2 4.14Å
194I81Confident79.9Confident69 Ų6960.3 Ų60.335%0.35429%0.293SS..G310 helixtrans-59.4-28.6175.3-162.9170.8000112.3A192 L196 R197 M323A192-I194 PolarHBondContact O-N 2.93Å; I194-L196 PolarHBondContact O-N 3.47Å; I194-R197 VanDerWaalsContact O-CB 3.29Å; I194-R197 WeakPolarHBondContact O-CB 3.45Å; I194-R197 WeakPolarHBondContact O-CG 3.43Å; I194-R197 PolarHBondContact O-N 3.49Å; I194-R197 VanDerWaalsContact O-N 3.08Å; I194-M323 HydrophobicContact CG2-CE 3.71Å; I194-M323 HydrophobicContact CG2-SD 4.05Å
195L81.8Confident81.4Confident0 Ų057.3 Ų57.30%028%0.277CS..G310 helixtrans-65.8-22.8177.9-54.8179.6000112.2A192 L193 R197 D198 F201 A319 P320 M323 A327 I400A192-L195 HydrophobicContact CB-CD1 4.07Å; A192-L195 HydrophobicContact CB-CG 4.5Å; A192-L195 VanDerWaalsContact O-CB 3.28Å; A192-L195 WeakPolarHBondContact O-CB 3.34Å; A192-L195 WeakPolarHBondContact O-CG 3.3Å; A192-L195 PolarHBondContact O-N 3.37Å; L193-L195 PolarHBondContact O-N 2.95Å; L195-R197 PolarHBondContact O-N 3.35Å; L195-D198 WeakPolarHBondContact O-CB 3.45Å; L195-D198 PolarHBondContact O-N 2.99Å; L195-D198 VanDerWaalsContact O-N 3.09Å; L195-F201 HydrophobicContact CB-CD1 3.76Å; L195-F201 HydrophobicContact CB-CE1 3.66Å; L195-F201 HydrophobicContact CB-CG 4.44Å; L195-F201 HydrophobicContact CB-CZ 4.25Å; L195-F201 HydrophobicContact CD1-CE1 4.38Å; L195-F201 HydrophobicContact CD1-CZ 4.19Å; L195-F201 WeakPolarHBondContact O-CD1 3.41Å; L195-A319 HydrophobicContact CD1-CB 3.9Å; L195-P320 HydrophobicContact CD2-CG 4.42Å; L195-M323 HydrophobicContact CD2-SD 4.1Å; L195-A327 HydrophobicContact CD1-CB 3.67Å; L195-I400 HydrophobicContact CB-CD1 4.08Å; L195-I400 HydrophobicContact CD2-CB 4.4Å; L195-I400 HydrophobicContact CD2-CD1 3.94Å
196L87.4Confident82.9Confident40 Ų4056.6 Ų56.621%0.20927%0.274CS..G310 helixtrans-69-7.4174.8-60176.8000113.1L193 I194 D198 F201 L202 F205L193-L196 HydrophobicContact CD2-CD1 3.64Å; L193-L196 VanDerWaalsContact O-CB 3.28Å; L193-L196 WeakPolarHBondContact O-CB 3.07Å; L193-L196 PolarHBondContact O-N 2.91Å; I194-L196 PolarHBondContact O-N 3.47Å; L196-D198 VanDerWaalsContact C-N 3.27Å; L196-F201 HydrophobicContact CD2-CD1 4.02Å; L196-F201 HydrophobicContact CD2-CE1 4.12Å; L196-L202 HydrophobicContact CB-CD1 4.25Å; L196-L202 HydrophobicContact CD2-CD1 4.14Å; L196-F205 HydrophobicContact CD2-CB 3.85Å; L196-F205 HydrophobicContact CD2-CD1 3.77Å; L196-F205 HydrophobicContact CD2-CD2 4.1Å; L196-F205 HydrophobicContact CD2-CE1 4.32Å; L196-F205 HydrophobicContact CD2-CG 3.63Å
197R82.1Confident84.4Confident207 Ų20752.6 Ų52.678%0.78125%0.249SC*.G310 helixtrans-69-26.9168.8-67.6-177.8175.7-179.30.2112.1I194 L195 K199I194-R197 VanDerWaalsContact O-CB 3.29Å; I194-R197 WeakPolarHBondContact O-CB 3.45Å; I194-R197 WeakPolarHBondContact O-CG 3.43Å; I194-R197 PolarHBondContact O-N 3.49Å; I194-R197 VanDerWaalsContact O-N 3.08Å; L195-R197 PolarHBondContact O-N 3.35Å; R197-K199 PolarHBondContact O-N 3.43Å
198D86.8Confident86Confident43 Ų4350.6 Ų50.623%0.2324%0.24CC..SBendtrans-73.2122.6171.8-179.7-90.8000110L195 L196 N200 F201 L202 I400L195-D198 WeakPolarHBondContact O-CB 3.45Å; L195-D198 PolarHBondContact O-N 2.99Å; L195-D198 VanDerWaalsContact O-N 3.09Å; L196-D198 VanDerWaalsContact C-N 3.27Å; D198-N200 VanDerWaalsContact C-N 3.32Å; D198-N200 PolarHBondContact O-N 3.27Å; D198-N200 WeakPolarHBondContact OD1-CB 3.42Å; D198-N200 PolarHBondContact OD1-N 2.94Å; D198-N200 VanDerWaalsContact OD1-N 3.08Å; D198-F201 HydrophobicContact CB-CB 3.97Å; D198-F201 PolarHBondContact O-N 2.99Å; D198-F201 PolarHBondContact OD1-N 3.49Å; D198-L202 WeakPolarHBondContact O-CB 3.48Å; D198-L202 PolarHBondContact O-N 3.37Å; D198-I400 HydrophobicContact CB-CD1 3.54Å; D198-I400 HydrophobicContact CB-CG1 3.96Å
199K88.9Confident87.2Confident174 Ų17450.9 Ų50.976%0.75724%0.24SC*.Hα-helixtrans-62.1-38.2-174.4-69.4-178-179.61760112.4R197 V203R197-K199 PolarHBondContact O-N 3.43Å; K199-V203 VanDerWaalsContact O-CG2 3.25Å; K199-V203 WeakPolarHBondContact O-CG2 3.37Å; K199-V203 PolarHBondContact O-N 3.43Å; K199-V203 VanDerWaalsContact O-N 3.12Å
200N90.6Very high88.6Confident30 Ų3052.6 Ų52.616%0.1625%0.248CC..Hα-helixtrans-71-44.3-179.4-70.6-42.2000110.5D198 L202 V203 F204 F390 R391D198-N200 VanDerWaalsContact C-N 3.32Å; D198-N200 PolarHBondContact O-N 3.27Å; D198-N200 WeakPolarHBondContact OD1-CB 3.42Å; D198-N200 PolarHBondContact OD1-N 2.94Å; D198-N200 VanDerWaalsContact OD1-N 3.08Å; N200-L202 VanDerWaalsContact C-N 3.34Å; N200-L202 PolarHBondContact O-N 3.26Å; N200-V203 PolarHBondContact O-N 2.92Å; N200-F204 WeakPolarHBondContact O-CB 3.41Å; N200-F204 PolarHBondContact O-N 3.04Å; N200-F390 HydrophobicContact CB-CD2 4.3Å; N200-F390 HydrophobicContact CB-CE2 4.14Å; N200-F390 WeakPolarHBondContact O-CD2 3.48Å; N200-F390 WeakPolarHBondContact O-CE2 3.17Å; N200-R391 WeakPolarHBondContact OD1-CA 3.32Å; N200-R391 PolarHBondContact OD1-N 3.16Å
201F92.3Very high89.7Confident1 Ų149.8 Ų49.80%0.00423%0.234CC..Hα-helixtrans-61.4-41.4176.1-167.2-97.3000111.7L195 L196 D198 F204 F205 Y314 V315 K318 I400L195-F201 HydrophobicContact CB-CD1 3.76Å; L195-F201 HydrophobicContact CB-CE1 3.66Å; L195-F201 HydrophobicContact CB-CG 4.44Å; L195-F201 HydrophobicContact CB-CZ 4.25Å; L195-F201 HydrophobicContact CD1-CE1 4.38Å; L195-F201 HydrophobicContact CD1-CZ 4.19Å; L195-F201 WeakPolarHBondContact O-CD1 3.41Å; L196-F201 HydrophobicContact CD2-CD1 4.02Å; L196-F201 HydrophobicContact CD2-CE1 4.12Å; D198-F201 HydrophobicContact CB-CB 3.97Å; D198-F201 PolarHBondContact O-N 2.99Å; D198-F201 PolarHBondContact OD1-N 3.49Å; F201-F204 PolarHBondContact O-N 2.94Å; F201-F205 WeakPolarHBondContact O-CB 3.37Å; F201-F205 PolarHBondContact O-N 3.31Å; F201-Y314 HydrophobicContact CD2-CE1 4.05Å; F201-V315 HydrophobicContact CE2-CG1 4.4Å; F201-V315 HydrophobicContact CE2-CG2 4.06Å; F201-V315 HydrophobicContact CZ-CG1 4.46Å; F201-V315 HydrophobicContact CZ-CG2 4.4Å; F201-K318 HydrophobicContact CD2-CB 4.22Å; F201-K318 HydrophobicContact CD2-CG 3.96Å; F201-I400 HydrophobicContact CB-CD1 4.3Å; F201-I400 HydrophobicContact CG-CD1 4.46Å
202L94.2Very high91Very high81 Ų8146.3 Ų46.342%0.42422%0.215SC..Hα-helixtrans-60.8-47.6175.4178.262.9000112.6L196 D198 N200 F205 F206L196-L202 HydrophobicContact CB-CD1 4.25Å; L196-L202 HydrophobicContact CD2-CD1 4.14Å; D198-L202 WeakPolarHBondContact O-CB 3.48Å; D198-L202 PolarHBondContact O-N 3.37Å; N200-L202 VanDerWaalsContact C-N 3.34Å; N200-L202 PolarHBondContact O-N 3.26Å; L202-F205 PolarHBondContact O-N 2.85Å; L202-F206 WeakPolarHBondContact O-CB 3.24Å; L202-F206 PolarHBondContact O-N 3.27Å
203V94.8Very high91.7Very high31 Ų3147.3 Ų47.319%0.18822%0.22CC..Hα-helixtrans-62.1-45.9178.4171.90000110.6K199 N200 F206 C207 F389 F390K199-V203 VanDerWaalsContact O-CG2 3.25Å; K199-V203 WeakPolarHBondContact O-CG2 3.37Å; K199-V203 PolarHBondContact O-N 3.43Å; K199-V203 VanDerWaalsContact O-N 3.12Å; N200-V203 PolarHBondContact O-N 2.92Å; V203-F206 PolarHBondContact O-N 3.27Å; V203-C207 WeakPolarHBondContact O-CB 3.45Å; V203-C207 PolarHBondContact O-N 3.46Å; V203-C207 PolarHBondContact O-SG 2.89Å; V203-F389 HydrophobicContact CB-CB 4.4Å; V203-F389 HydrophobicContact CG1-CB 3.72Å; V203-F389 HydrophobicContact CG2-CB 3.73Å; V203-F390 HydrophobicContact CG1-CB 3.99Å
204F95.8Very high92.3Very high0 Ų043.4 Ų43.40%020%0.2CC..Hα-helixtrans-59.2-46.8175.8159.4-92.5000111.8N200 F201 F206 C207 S208 L265 A311 Y314 V315 I331 F386 F390N200-F204 WeakPolarHBondContact O-CB 3.41Å; N200-F204 PolarHBondContact O-N 3.04Å; F201-F204 PolarHBondContact O-N 2.94Å; F204-F206 PolarHBondContact O-N 3.44Å; F204-C207 PolarHBondContact O-N 3.32Å; F204-S208 WeakPolarHBondContact O-CB 3.23Å; F204-S208 PolarHBondContact O-N 2.92Å; F204-S208 PolarHBondContact O-OG 3.5Å; F204-L265 HydrophobicContact CD2-CD1 4.13Å; F204-L265 HydrophobicContact CE2-CD1 4.21Å; F204-A311 HydrophobicContact CE2-CB 3.53Å; F204-A311 HydrophobicContact CZ-CB 3.52Å; F204-A311 WeakPolarHBondContact CZ-O 3.12Å; F204-Y314 HydrophobicContact CB-CD1 4.36Å; F204-Y314 HydrophobicContact CB-CE1 3.83Å; F204-Y314 AromaticContact CD1-CD1 3.62Å; F204-Y314 HydrophobicContact CD1-CD1 3.62Å; F204-Y314 AromaticContact CD1-CE1 3.64Å; F204-Y314 HydrophobicContact CD1-CE1 3.64Å; F204-Y314 AromaticContact CD2-CD1 3.66Å; F204-Y314 HydrophobicContact CD2-CD1 3.66Å; F204-Y314 HydrophobicContact CD2-CE1 4.01Å; F204-Y314 AromaticContact CE1-CD1 3.73Å; F204-Y314 HydrophobicContact CE1-CD1 3.73Å; F204-Y314 HydrophobicContact CE1-CE1 4.21Å; F204-Y314 AromaticContact CE2-CD1 3.74Å; F204-Y314 HydrophobicContact CE2-CD1 3.74Å; F204-Y314 HydrophobicContact CE2-CG 4.44Å; F204-Y314 AromaticContact CG-CD1 3.58Å; F204-Y314 HydrophobicContact CG-CD1 3.58Å; F204-Y314 AromaticContact CG-CE1 3.52Å; F204-Y314 HydrophobicContact CG-CE1 3.52Å; F204-Y314 AromaticContact CZ-CD1 3.76Å; F204-Y314 HydrophobicContact CZ-CD1 3.76Å; F204-V315 HydrophobicContact CE1-CG2 3.41Å; F204-V315 VanDerWaalsContact CE1-CG2 3.41Å; F204-V315 HydrophobicContact CZ-CG2 3.76Å; F204-I331 HydrophobicContact CE1-CD1 4.05Å; F204-F386 HydrophobicContact CB-CE2 4.48Å; F204-F386 HydrophobicContact CD2-CE2 4.41Å; F204-F390 HydrophobicContact CB-CD2 3.94Å; F204-F390 HydrophobicContact CB-CE2 3.62Å
205F95.4Very high93Very high28 Ų2840.7 Ų40.712%0.12319%0.186CC..Hα-helixtrans-60.3-47.6-179.8-177.9-93.3000111L196 F201 L202 S208 F209 L330 I331 C334L196-F205 HydrophobicContact CD2-CB 3.85Å; L196-F205 HydrophobicContact CD2-CD1 3.77Å; L196-F205 HydrophobicContact CD2-CD2 4.1Å; L196-F205 HydrophobicContact CD2-CE1 4.32Å; L196-F205 HydrophobicContact CD2-CG 3.63Å; F201-F205 WeakPolarHBondContact O-CB 3.37Å; F201-F205 PolarHBondContact O-N 3.31Å; L202-F205 PolarHBondContact O-N 2.85Å; F205-S208 PolarHBondContact O-N 3.41Å; F205-F209 WeakPolarHBondContact O-CB 3.4Å; F205-F209 PolarHBondContact O-N 2.97Å; F205-L330 HydrophobicContact CE2-CD2 4.24Å; F205-L330 HydrophobicContact CE2-CG 3.87Å; F205-L330 HydrophobicContact CZ-CG 4.18Å; F205-I331 HydrophobicContact CD2-CD1 3.68Å; F205-I331 HydrophobicContact CE2-CD1 4.1Å; F205-C334 HydrophobicContact CE1-CB 4.26Å; F205-C334 WeakPolarHBondContact CE1-SG 3.42Å; F205-C334 HydrophobicContact CE2-CB 3.78Å; F205-C334 HydrophobicContact CZ-CB 3.46Å; F205-C334 VanDerWaalsContact CZ-CB 3.46Å; F205-C334 WeakPolarHBondContact CZ-SG 3.41Å
206F96.3Very high93.7Very high107 Ų10740.7 Ų40.747%0.46919%0.186SC..Hα-helixtrans-67.6-41.7179.7-172.3-105.3000112.7L202 V203 F204 S208 F209 L210L202-F206 WeakPolarHBondContact O-CB 3.24Å; L202-F206 PolarHBondContact O-N 3.27Å; V203-F206 PolarHBondContact O-N 3.27Å; F204-F206 PolarHBondContact O-N 3.44Å; F206-S208 VanDerWaalsContact C-N 3.32Å; F206-S208 PolarHBondContact O-N 3.18Å; F206-F209 WeakPolarHBondContact O-CB 3.34Å; F206-F209 PolarHBondContact O-N 2.89Å; F206-L210 HydrophobicContact CD1-CD1 3.9Å; F206-L210 HydrophobicContact CD1-CG 4.37Å; F206-L210 HydrophobicContact CE1-CD1 3.41Å; F206-L210 VanDerWaalsContact CE1-CD1 3.41Å; F206-L210 HydrophobicContact CE1-CG 4.05Å; F206-L210 HydrophobicContact CZ-CD1 3.92Å; F206-L210 HydrophobicContact CZ-CD2 4.32Å; F206-L210 HydrophobicContact CZ-CG 4.2Å; F206-L210 WeakPolarHBondContact O-CG 3.21Å; F206-L210 PolarHBondContact O-N 3.22Å
207C96.8Very high94.1Very high3 Ų338.8 Ų38.82%0.0218%0.176CC..Hα-helixtrans-64.7-38.2175.9-67.30000111.8V203 F204 L210 F211 Y307 I382 F386V203-C207 WeakPolarHBondContact O-CB 3.45Å; V203-C207 PolarHBondContact O-N 3.46Å; V203-C207 PolarHBondContact O-SG 2.89Å; F204-C207 PolarHBondContact O-N 3.32Å; C207-L210 PolarHBondContact O-N 3.33Å; C207-F211 WeakPolarHBondContact O-CB 3.45Å; C207-F211 PolarHBondContact O-N 3.33Å; C207-Y307 VanDerWaalsContact C-OH 3.27Å; C207-Y307 PolarHBondContact O-OH 3.41Å; C207-I382 HydrophobicContact CB-CG2 4.05Å; C207-F386 HydrophobicContact CB-CD2 3.84Å
208S96.3Very high94.7Very high1 Ų129.1 Ų29.11%0.00714%0.14CC..Hα-helixtrans-67.5-40178.8-59.40000112.1F204 F205 F206 F211 A212 Y307 Y308F204-S208 WeakPolarHBondContact O-CB 3.23Å; F204-S208 PolarHBondContact O-N 2.92Å; F204-S208 PolarHBondContact O-OG 3.5Å; F205-S208 PolarHBondContact O-N 3.41Å; F206-S208 VanDerWaalsContact C-N 3.32Å; F206-S208 PolarHBondContact O-N 3.18Å; S208-F211 PolarHBondContact O-N 3Å; S208-A212 PolarHBondContact O-N 3.45Å; S208-Y307 VanDerWaalsContact CA-OH 3.24Å; S208-Y307 WeakPolarHBondContact CA-OH 3.44Å; S208-Y307 PolarHBondContact N-OH 3.36Å; S208-Y307 VanDerWaalsContact N-OH 3.16Å; S208-Y307 PolarHBondContact OG-OH 3.42Å; S208-Y308 PolarHBondContact O-OH 3.34Å
209F96.3Very high95.1Very high37 Ų3729.7 Ų29.716%0.16214%0.139CC..Hα-helixtrans-58.8-48.7171169.4-108.2000112F205 F206 A212 M213 C334 F338 L342F205-F209 WeakPolarHBondContact O-CB 3.4Å; F205-F209 PolarHBondContact O-N 2.97Å; F206-F209 WeakPolarHBondContact O-CB 3.34Å; F206-F209 PolarHBondContact O-N 2.89Å; F209-A212 WeakPolarHBondContact O-CB 3.21Å; F209-A212 PolarHBondContact O-N 3.41Å; F209-M213 HydrophobicContact CD1-CE 4.27Å; F209-M213 HydrophobicContact CE1-CE 3.63Å; F209-M213 HydrophobicContact CE2-CE 4.43Å; F209-M213 HydrophobicContact CZ-CE 3.74Å; F209-C334 WeakPolarHBondContact CD2-O 3.13Å; F209-C334 WeakPolarHBondContact CD2-SG 3.36Å; F209-F338 HydrophobicContact CE2-CB 3.96Å; F209-L342 HydrophobicContact CE2-CD1 4.09Å; F209-L342 HydrophobicContact CZ-CD1 3.55Å
210L96.6Very high95.3Very high37 Ų3721.4 Ų21.419%0.19410%0.103CC..Hα-helixtrans-65.3-39178.7-70.9-178.1000112.3F206 C207 A212 M213 P214 I382F206-L210 HydrophobicContact CD1-CD1 3.9Å; F206-L210 HydrophobicContact CD1-CG 4.37Å; F206-L210 HydrophobicContact CE1-CD1 3.41Å; F206-L210 VanDerWaalsContact CE1-CD1 3.41Å; F206-L210 HydrophobicContact CE1-CG 4.05Å; F206-L210 HydrophobicContact CZ-CD1 3.92Å; F206-L210 HydrophobicContact CZ-CD2 4.32Å; F206-L210 HydrophobicContact CZ-CG 4.2Å; F206-L210 WeakPolarHBondContact O-CG 3.21Å; F206-L210 PolarHBondContact O-N 3.22Å; C207-L210 PolarHBondContact O-N 3.33Å; L210-A212 PolarHBondContact O-N 2.94Å; L210-M213 HydrophobicContact CD2-CE 3.94Å; L210-M213 HydrophobicContact CD2-SD 4.47Å; L210-M213 WeakPolarHBondContact O-CB 3.49Å; L210-M213 PolarHBondContact O-N 3Å; L210-M213 VanDerWaalsContact O-N 3.16Å; L210-P214 WeakPolarHBondContact O-CD 3.1Å; L210-I382 HydrophobicContact CB-CD1 3.74Å; L210-I382 HydrophobicContact CB-CG1 3.89Å; L210-I382 HydrophobicContact CD1-CG1 4.29Å
211F97.2Very high95.5Very high2 Ų220 Ų201%0.00910%0.095CC..Hα-helixtrans-67.8-22.9180-177-114.4000113.4C207 S208 M213 P214 L215 L269 A272 Y307 Y308 I379 I382C207-F211 WeakPolarHBondContact O-CB 3.45Å; C207-F211 PolarHBondContact O-N 3.33Å; S208-F211 PolarHBondContact O-N 3Å; F211-M213 PolarHBondContact O-N 3.32Å; F211-P214 HydrophobicContact CD2-CG 4.14Å; F211-P214 WeakPolarHBondContact O-CD 3.42Å; F211-P214 WeakPolarHBondContact O-CG 3.34Å; F211-L215 PolarHBondContact O-N 3.26Å; F211-L269 HydrophobicContact CB-CD2 4.17Å; F211-L269 HydrophobicContact CD1-CD2 4.27Å; F211-L269 HydrophobicContact CD2-CD2 3.39Å; F211-L269 HydrophobicContact CE2-CD2 3.74Å; F211-L269 HydrophobicContact CG-CD2 3.68Å; F211-L269 HydrophobicContact CZ-CD2 4.3Å; F211-A272 HydrophobicContact CE2-CB 3.65Å; F211-A272 HydrophobicContact CZ-CB 3.7Å; F211-Y307 HydrophobicContact CB-CE1 3.93Å; F211-Y307 AromaticContact CD1-CD1 3.2Å; F211-Y307 HydrophobicContact CD1-CD1 3.2Å; F211-Y307 AromaticContact CD1-CE1 3.39Å; F211-Y307 HydrophobicContact CD1-CE1 3.39Å; F211-Y307 AromaticContact CD1-CG 3.8Å; F211-Y307 HydrophobicContact CD1-CG 3.8Å; F211-Y307 AromaticContact CE1-CD1 3.53Å; F211-Y307 HydrophobicContact CE1-CD1 3.53Å; F211-Y307 HydrophobicContact CE1-CE1 4.19Å; F211-Y307 AromaticContact CE1-CG 3.75Å; F211-Y307 HydrophobicContact CE1-CG 3.75Å; F211-Y307 HydrophobicContact CG-CD1 4.13Å; F211-Y307 AromaticContact CG-CE1 3.94Å; F211-Y307 HydrophobicContact CG-CE1 3.94Å; F211-Y308 HydrophobicContact CD1-CD2 4.3Å; F211-Y308 AromaticContact CD1-CE2 3.5Å; F211-Y308 HydrophobicContact CD1-CE2 3.5Å; F211-Y308 VanDerWaalsContact CD1-CE2 3.5Å; F211-Y308 AromaticContact CD1-CZ 3.91Å; F211-Y308 HydrophobicContact CE1-CD2 4.1Å; F211-Y308 AromaticContact CE1-CE2 3.62Å; F211-Y308 HydrophobicContact CE1-CE2 3.62Å; F211-I379 HydrophobicContact CD2-CG1 4.33Å; F211-I379 HydrophobicContact CE2-CD1 4.35Å; F211-I379 HydrophobicContact CE2-CG1 4.17Å; F211-I379 HydrophobicContact CE2-CG2 4.23Å; F211-I382 HydrophobicContact CB-CD1 4.49Å
212A96.4Very high95.7Very high1 Ų120 Ų201%0.00810%0.095CC..Hα-helixtrans-60.9-28.917300000112.3S208 F209 L210 A216 Y308 C335S208-A212 PolarHBondContact O-N 3.45Å; F209-A212 WeakPolarHBondContact O-CB 3.21Å; F209-A212 PolarHBondContact O-N 3.41Å; L210-A212 PolarHBondContact O-N 2.94Å; A212-A216 WeakPolarHBondContact O-CB 3.17Å; A212-A216 PolarHBondContact O-N 3.36Å; A212-Y308 WeakPolarHBondContact CA-OH 3.29Å; A212-Y308 WeakPolarHBondContact CB-OH 3.29Å; A212-Y308 PolarHBondContact N-OH 2.93Å; A212-Y308 VanDerWaalsContact N-OH 3.11Å; A212-C335 HydrophobicContact CB-CB 4.31Å; A212-C335 WeakPolarHBondContact CB-O 3.4Å
213M96.4Very high95.7Very high20 Ų2016.2 Ų16.210%0.0998%0.075CC..Hα-helixtrans-67.9-55.8-178.3-55.5179.5-167.100113.3F209 L210 F211 L215 A216 F217 L342 M378F209-M213 HydrophobicContact CD1-CE 4.27Å; F209-M213 HydrophobicContact CE1-CE 3.63Å; F209-M213 HydrophobicContact CE2-CE 4.43Å; F209-M213 HydrophobicContact CZ-CE 3.74Å; L210-M213 HydrophobicContact CD2-CE 3.94Å; L210-M213 HydrophobicContact CD2-SD 4.47Å; L210-M213 WeakPolarHBondContact O-CB 3.49Å; L210-M213 PolarHBondContact O-N 3Å; L210-M213 VanDerWaalsContact O-N 3.16Å; F211-M213 PolarHBondContact O-N 3.32Å; M213-L215 VanDerWaalsContact C-N 3.27Å; M213-L215 PolarHBondContact O-N 3.24Å; M213-A216 WeakPolarHBondContact O-CB 3.37Å; M213-A216 PolarHBondContact O-N 3.16Å; M213-F217 VanDerWaalsContact O-CD1 3.26Å; M213-F217 WeakPolarHBondContact O-CD1 3.34Å; M213-F217 PolarHBondContact O-N 3.34Å; M213-L342 HydrophobicContact CE-CB 4.06Å; M213-L342 HydrophobicContact CE-CD1 3.98Å; M213-L342 HydrophobicContact CG-CB 4.46Å; M213-L342 HydrophobicContact SD-CB 4.41Å; M213-M378 HydrophobicContact CB-CE 4.09Å; M213-M378 HydrophobicContact SD-CE 4.44Å
214P96Very high95.6Very high0 Ų014.9 Ų14.90%07%0.068CC..Hα-helixtrans-65.2-31.7174.126.4-34.1000111.5L210 F211 A216 F217 Y218 Y276 I379 I382L210-P214 WeakPolarHBondContact O-CD 3.1Å; F211-P214 HydrophobicContact CD2-CG 4.14Å; F211-P214 WeakPolarHBondContact O-CD 3.42Å; F211-P214 WeakPolarHBondContact O-CG 3.34Å; P214-A216 VanDerWaalsContact C-N 3.28Å; P214-A216 PolarHBondContact O-N 3.11Å; P214-F217 HydrophobicContact CB-CD2 4.43Å; P214-F217 WeakPolarHBondContact O-CB 3.38Å; P214-F217 PolarHBondContact O-N 2.87Å; P214-F217 VanDerWaalsContact O-N 3.07Å; P214-Y218 PolarHBondContact O-N 3.41Å; P214-Y276 HydrophobicContact CB-CE2 4.19Å; P214-Y276 PolarHBondContact O-OH 3.12Å; P214-I379 HydrophobicContact CB-CD1 3.96Å; P214-I379 HydrophobicContact CB-CG1 3.72Å; P214-I379 HydrophobicContact CG-CD1 4.27Å; P214-I379 HydrophobicContact CG-CG1 3.6Å; P214-I382 HydrophobicContact CG-CD1 4.46Å
215L95.4Very high95.5Very high12 Ų1215 Ų156%0.0637%0.069CC..Hα-helixtrans-60.4-40.8173-175.962000111.9F211 M213 F217 Y218 Y219 Y304 Y308F211-L215 PolarHBondContact O-N 3.26Å; M213-L215 VanDerWaalsContact C-N 3.27Å; M213-L215 PolarHBondContact O-N 3.24Å; L215-F217 VanDerWaalsContact C-N 3.29Å; L215-F217 PolarHBondContact O-N 3.43Å; L215-Y218 WeakPolarHBondContact O-CB 3.27Å; L215-Y218 PolarHBondContact O-N 2.93Å; L215-Y218 VanDerWaalsContact O-N 3.13Å; L215-Y219 HydrophobicContact CD1-CE1 4.33Å; L215-Y219 HydrophobicContact CD1-CE2 4.14Å; L215-Y219 HydrophobicContact CD2-CE2 3.85Å; L215-Y219 HydrophobicContact CG-CD2 4.24Å; L215-Y219 HydrophobicContact CG-CE2 3.58Å; L215-Y219 PolarHBondContact O-N 3.2Å; L215-Y304 HydrophobicContact CD2-CD2 4.05Å; L215-Y304 HydrophobicContact CD2-CE2 4.17Å; L215-Y308 HydrophobicContact CD2-CD2 3.79Å; L215-Y308 HydrophobicContact CD2-CE2 3.29Å
216A96Very high95.5Very high0 Ų013.7 Ų13.70%06%0.063CC..Hα-helixtrans-61.2-33.4173.200000113.1A212 M213 P214 Y218 Y219 I220 Y344A212-A216 WeakPolarHBondContact O-CB 3.17Å; A212-A216 PolarHBondContact O-N 3.36Å; M213-A216 WeakPolarHBondContact O-CB 3.37Å; M213-A216 PolarHBondContact O-N 3.16Å; P214-A216 VanDerWaalsContact C-N 3.28Å; P214-A216 PolarHBondContact O-N 3.11Å; A216-Y218 VanDerWaalsContact C-N 3.34Å; A216-Y218 PolarHBondContact O-N 3.27Å; A216-Y219 PolarHBondContact O-N 3.21Å; A216-I220 PolarHBondContact O-N 3.39Å; A216-I220 VanDerWaalsContact O-N 3.09Å; A216-Y344 HydrophobicContact CB-CD1 3.49Å; A216-Y344 VanDerWaalsContact CB-CD1 3.49Å; A216-Y344 HydrophobicContact CB-CE1 3.51Å; A216-Y344 HydrophobicContact CB-CG 4.16Å
217F95.4Very high95.2Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-61.6-44.2172.9-59-9000111M213 P214 L215 Y219 I220 F221 G343 L346 G347 M371 F374 M378M213-F217 VanDerWaalsContact O-CD1 3.26Å; M213-F217 WeakPolarHBondContact O-CD1 3.34Å; M213-F217 PolarHBondContact O-N 3.34Å; P214-F217 HydrophobicContact CB-CD2 4.43Å; P214-F217 WeakPolarHBondContact O-CB 3.38Å; P214-F217 PolarHBondContact O-N 2.87Å; P214-F217 VanDerWaalsContact O-N 3.07Å; L215-F217 VanDerWaalsContact C-N 3.29Å; L215-F217 PolarHBondContact O-N 3.43Å; F217-Y219 VanDerWaalsContact C-N 3.3Å; F217-Y219 PolarHBondContact O-N 3.16Å; F217-I220 PolarHBondContact O-N 3.01Å; F217-F221 HydrophobicContact CB-CD2 4.07Å; F217-F221 HydrophobicContact CB-CE2 4.47Å; F217-F221 VanDerWaalsContact O-CB 3.25Å; F217-F221 WeakPolarHBondContact O-CB 3.06Å; F217-F221 WeakPolarHBondContact O-CD2 3.48Å; F217-F221 PolarHBondContact O-N 2.78Å; F217-G343 WeakPolarHBondContact CD1-O 3.47Å; F217-G343 WeakPolarHBondContact CE1-O 3.39Å; F217-L346 HydrophobicContact CE1-CB 4.27Å; F217-L346 HydrophobicContact CE1-CD2 4.43Å; F217-L346 HydrophobicContact CE1-CG 4.29Å; F217-L346 HydrophobicContact CZ-CB 4.47Å; F217-L346 HydrophobicContact CZ-CD2 3.89Å; F217-L346 HydrophobicContact CZ-CG 4Å; F217-G347 VanDerWaalsContact CE1-CA 3.5Å; F217-M371 HydrophobicContact CB-CE 3.92Å; F217-M371 HydrophobicContact CD1-CE 3.99Å; F217-M371 HydrophobicContact CD2-CE 3.39Å; F217-M371 HydrophobicContact CE1-CE 4.36Å; F217-M371 HydrophobicContact CE2-CE 3.81Å; F217-M371 HydrophobicContact CG-CE 3.49Å; F217-M371 VanDerWaalsContact CG-CE 3.49Å; F217-M371 HydrophobicContact CZ-CE 4.28Å; F217-F374 AromaticContact CE2-CD1 3.79Å; F217-F374 HydrophobicContact CE2-CD1 3.79Å; F217-F374 AromaticContact CE2-CE1 3.82Å; F217-F374 HydrophobicContact CE2-CE1 3.82Å; F217-F374 HydrophobicContact CZ-CD1 4.32Å; F217-F374 AromaticContact CZ-CE1 3.92Å; F217-F374 HydrophobicContact CZ-CE1 3.92Å; F217-M378 HydrophobicContact CE2-SD 3.72Å; F217-M378 HydrophobicContact CZ-CE 4.49Å; F217-M378 HydrophobicContact CZ-SD 3.94Å
218Y95.4Very high95Very high4 Ų412.9 Ų12.92%0.0166%0.064CC..Hα-helixtrans-58.1-44.8176.2175.3-102.7000111.5P214 L215 A216 I220 F221 A222 Y276 F279 H300P214-Y218 PolarHBondContact O-N 3.41Å; L215-Y218 WeakPolarHBondContact O-CB 3.27Å; L215-Y218 PolarHBondContact O-N 2.93Å; L215-Y218 VanDerWaalsContact O-N 3.13Å; A216-Y218 VanDerWaalsContact C-N 3.34Å; A216-Y218 PolarHBondContact O-N 3.27Å; Y218-I220 PolarHBondContact O-N 3.19Å; Y218-F221 PolarHBondContact O-N 3.14Å; Y218-A222 HydrophobicContact CD2-CB 3.65Å; Y218-A222 HydrophobicContact CE2-CB 3.59Å; Y218-A222 HydrophobicContact CG-CB 4.28Å; Y218-A222 WeakPolarHBondContact O-CB 3.5Å; Y218-A222 PolarHBondContact O-N 3.15Å; Y218-Y276 WeakPolarHBondContact CB-OH 3.37Å; Y218-Y276 HydrophobicContact CD2-CE1 4.46Å; Y218-Y276 PolarHBondContact N-OH 3.43Å; Y218-Y276 VanDerWaalsContact N-OH 3.12Å; Y218-F279 AromaticContact CD2-CE2 3.93Å; Y218-F279 HydrophobicContact CD2-CE2 3.93Å; Y218-F279 AromaticContact CE2-CE2 3.81Å; Y218-F279 HydrophobicContact CE2-CE2 3.81Å; Y218-F279 HydrophobicContact CE2-CZ 4.12Å; Y218-H300 HydrophobicContact CE1-CB 4.22Å; Y218-H300 AromaticContact CE1-CD2 3.78Å; Y218-H300 AromaticContact CE1-CE1 3.88Å; Y218-H300 AromaticContact CE1-CG 3.64Å; Y218-H300 AromaticContact CE1-ND1 3.72Å; Y218-H300 AromaticContact CE1-NE2 3.86Å; Y218-H300 AromaticContact CZ-CG 3.94Å
219Y94.1Very high94.8Very high55 Ų5513.9 Ų13.922%0.2167%0.07CC..Hα-helixtrans-65.6-36.2-178.6-67.1-34.7000114.1F12 Y33 L215 A216 F217 H300F12-Y219 HydrophobicContact CE1-CG 4.32Å; Y33-Y219 WeakPolarHBondContact CE1-O 3.5Å; L215-Y219 HydrophobicContact CD1-CE1 4.33Å; L215-Y219 HydrophobicContact CD1-CE2 4.14Å; L215-Y219 HydrophobicContact CD2-CE2 3.85Å; L215-Y219 HydrophobicContact CG-CD2 4.24Å; L215-Y219 HydrophobicContact CG-CE2 3.58Å; L215-Y219 PolarHBondContact O-N 3.2Å; A216-Y219 PolarHBondContact O-N 3.21Å; F217-Y219 VanDerWaalsContact C-N 3.3Å; F217-Y219 PolarHBondContact O-N 3.16Å; Y219-H300 AromaticContact CE1-CE1 3.86Å; Y219-H300 AromaticContact CE1-NE2 3.94Å
220I94.6Very high94.5Very high0 Ų014.1 Ų14.10%08%0.082CC..Hα-helixtrans-73.6-49.6175-65.4177.3000110.9W16 I29 Y33 A216 F217 Y218 Y344W16-I220 HydrophobicContact CD2-CG2 4.39Å; W16-I220 HydrophobicContact CE3-CG2 3.25Å; W16-I220 HydrophobicContact CH2-CG2 4.4Å; W16-I220 HydrophobicContact CZ3-CG2 3.26Å; I29-I220 HydrophobicContact CG2-CG2 4.49Å; Y33-I220 HydrophobicContact CD1-CG1 4.1Å; Y33-I220 HydrophobicContact CD2-CB 4.45Å; Y33-I220 HydrophobicContact CD2-CG1 3.96Å; Y33-I220 HydrophobicContact CD2-CG2 4.24Å; Y33-I220 HydrophobicContact CE2-CG2 4.33Å; Y33-I220 HydrophobicContact CG-CG1 3.7Å; A216-I220 PolarHBondContact O-N 3.39Å; A216-I220 VanDerWaalsContact O-N 3.09Å; F217-I220 PolarHBondContact O-N 3.01Å; Y218-I220 PolarHBondContact O-N 3.19Å; I220-Y344 HydrophobicContact CD1-CD1 3.29Å; I220-Y344 HydrophobicContact CD1-CE1 4.19Å; I220-Y344 HydrophobicContact CD1-CG 3.99Å; I220-Y344 HydrophobicContact CG1-CD1 3.43Å; I220-Y344 VanDerWaalsContact CG1-CD1 3.43Å; I220-Y344 HydrophobicContact CG1-CE1 3.81Å; I220-Y344 HydrophobicContact CG1-CG 4.46Å
221F94.7Very high94.2Very high0 Ų012.5 Ų12.50%07%0.074CC..Hα-helixtrans-101.8-23-155.6-68.8-52.3000114.9W16 F217 Y218 N223 G224 Y225 G347 M351 W368 M371 W372W16-F221 HydrophobicContact CE3-CD1 4.16Å; W16-F221 HydrophobicContact CE3-CE1 4.26Å; W16-F221 AromaticContact CH2-CD1 3.77Å; W16-F221 HydrophobicContact CH2-CD1 3.77Å; W16-F221 AromaticContact CH2-CE1 3.38Å; W16-F221 HydrophobicContact CH2-CE1 3.38Å; W16-F221 HydrophobicContact CZ2-CD1 4.08Å; W16-F221 HydrophobicContact CZ2-CE1 4.1Å; W16-F221 AromaticContact CZ3-CD1 3.78Å; W16-F221 HydrophobicContact CZ3-CD1 3.78Å; W16-F221 AromaticContact CZ3-CE1 3.44Å; W16-F221 HydrophobicContact CZ3-CE1 3.44Å; W16-F221 VanDerWaalsContact CZ3-CE1 3.44Å; W16-F221 HydrophobicContact CZ3-CZ 4.46Å; F217-F221 HydrophobicContact CB-CD2 4.07Å; F217-F221 HydrophobicContact CB-CE2 4.47Å; F217-F221 VanDerWaalsContact O-CB 3.25Å; F217-F221 WeakPolarHBondContact O-CB 3.06Å; F217-F221 WeakPolarHBondContact O-CD2 3.48Å; F217-F221 PolarHBondContact O-N 2.78Å; Y218-F221 PolarHBondContact O-N 3.14Å; F221-N223 VanDerWaalsContact C-N 3.32Å; F221-N223 PolarHBondContact O-N 3.23Å; F221-G224 PolarHBondContact O-N 3.03Å; F221-Y225 VanDerWaalsContact O-CB 3.31Å; F221-Y225 WeakPolarHBondContact O-CB 3.37Å; F221-Y225 PolarHBondContact O-N 3.41Å; F221-G347 VanDerWaalsContact CZ-C 3.46Å; F221-G347 WeakPolarHBondContact CZ-O 3.43Å; F221-M351 HydrophobicContact CD1-CE 4.1Å; F221-M351 HydrophobicContact CD1-CG 4.46Å; F221-M351 HydrophobicContact CE1-CB 3.84Å; F221-M351 HydrophobicContact CE1-CE 4.29Å; F221-M351 HydrophobicContact CE1-CG 3.75Å; F221-M351 HydrophobicContact CZ-CB 3.7Å; F221-M351 HydrophobicContact CZ-CG 4.14Å; F221-W368 HydrophobicContact CB-CZ3 3.89Å; F221-W368 HydrophobicContact CD1-CH2 4.43Å; F221-W368 HydrophobicContact CD1-CZ3 4.15Å; F221-W368 HydrophobicContact CG-CZ3 4.28Å; F221-M371 HydrophobicContact CD2-CE 3.77Å; F221-M371 HydrophobicContact CE2-CE 3.52Å; F221-M371 HydrophobicContact CZ-CE 4.49Å; F221-W372 HydrophobicContact CB-CH2 3.76Å; F221-W372 HydrophobicContact CB-CZ2 4.15Å
222A95Very high93.8Very high0 Ų020.5 Ų20.50%011%0.108CC..Hα-helixtrans-59.3-43-17100000112.5Y218 L226 M238 W372Y218-A222 HydrophobicContact CD2-CB 3.65Å; Y218-A222 HydrophobicContact CE2-CB 3.59Å; Y218-A222 HydrophobicContact CG-CB 4.28Å; Y218-A222 WeakPolarHBondContact O-CB 3.5Å; Y218-A222 PolarHBondContact O-N 3.15Å; A222-L226 WeakPolarHBondContact O-CB 3.39Å; A222-L226 WeakPolarHBondContact O-CD1 3.43Å; A222-L226 WeakPolarHBondContact O-CG 3.25Å; A222-L226 PolarHBondContact O-N 3.25Å; A222-M238 HydrophobicContact CB-CE 3.72Å; A222-M238 HydrophobicContact CB-SD 4.4Å; A222-W372 HydrophobicContact CB-CH2 4.5Å
223N93.8Very high93.5Very high2 Ų221.8 Ų21.81%0.01112%0.115CC..Hα-helixtrans-63.8-49179.8-174.1-94.1000111.7V13 L17 F221 L226 T227 T235 M238V13-N223 WeakPolarHBondContact O-CB 3.32Å; L17-N223 WeakPolarHBondContact CD1-OD1 3.4Å; L17-N223 WeakPolarHBondContact CG-OD1 3.37Å; F221-N223 VanDerWaalsContact C-N 3.32Å; F221-N223 PolarHBondContact O-N 3.23Å; N223-L226 PolarHBondContact O-N 3.46Å; N223-T227 PolarHBondContact O-N 3.45Å; N223-T227 VanDerWaalsContact O-N 3.09Å; N223-T227 PolarHBondContact O-OG1 3.42Å; N223-T235 WeakPolarHBondContact ND2-CA 3.42Å; N223-T235 PolarHBondContact ND2-N 3.12Å; N223-T235 PolarHBondContact ND2-OG1 3.45Å; N223-T235 VanDerWaalsContact ND2-OG1 3.14Å; N223-M238 VanDerWaalsContact CA-SD 3.52Å; N223-M238 HydrophobicContact CB-CE 4.42Å; N223-M238 HydrophobicContact CB-SD 3.56Å; N223-M238 VanDerWaalsContact CB-SD 3.56Å
224G92.7Very high93.3Very high3 Ų321 Ų213%0.03111%0.111CC..Hα-helixtrans-58.9-49.8176.800000113.3F221 L226 T227 E228F221-G224 PolarHBondContact O-N 3.03Å; G224-L226 PolarHBondContact O-N 3.08Å; G224-T227 PolarHBondContact O-N 3.2Å; G224-E228 WeakPolarHBondContact O-CB 3.46Å; G224-E228 PolarHBondContact O-N 3.16Å
225Y94.6Very high93.2Very high3 Ų321 Ų211%0.01211%0.112CC..Hα-helixtrans-52.6-55175.7162.5-114.6000111.7F221 T227 E228 V229 F279 G282 L293 W368 W372F221-Y225 VanDerWaalsContact O-CB 3.31Å; F221-Y225 WeakPolarHBondContact O-CB 3.37Å; F221-Y225 PolarHBondContact O-N 3.41Å; Y225-T227 VanDerWaalsContact C-N 3.29Å; Y225-T227 PolarHBondContact O-N 2.83Å; Y225-E228 PolarHBondContact O-N 2.97Å; Y225-E228 VanDerWaalsContact O-N 3.16Å; Y225-V229 HydrophobicContact CD2-CG1 3.76Å; Y225-V229 HydrophobicContact CE2-CB 4.5Å; Y225-V229 HydrophobicContact CE2-CG1 3.4Å; Y225-V229 HydrophobicContact CE2-CG2 4.35Å; Y225-V229 WeakPolarHBondContact O-CG2 3.39Å; Y225-V229 PolarHBondContact O-N 3.37Å; Y225-F279 HydrophobicContact CD1-CG 4.39Å; Y225-F279 HydrophobicContact CE1-CB 3.88Å; Y225-F279 AromaticContact CE1-CD1 3.7Å; Y225-F279 HydrophobicContact CE1-CD1 3.7Å; Y225-F279 HydrophobicContact CE1-CD2 4.42Å; Y225-F279 HydrophobicContact CE1-CE1 4.29Å; Y225-F279 AromaticContact CE1-CG 3.77Å; Y225-F279 HydrophobicContact CE1-CG 3.77Å; Y225-F279 PolarHBondContact OH-O 2.89Å; Y225-G282 PolarHBondContact OH-O 3.44Å; Y225-G282 VanDerWaalsContact OH-O 3.1Å; Y225-L293 HydrophobicContact CE1-CD2 3.75Å; Y225-L293 WeakPolarHBondContact OH-CD2 3.43Å; Y225-W368 HydrophobicContact CD2-CB 3.62Å; Y225-W368 AromaticContact CD2-CD2 3.76Å; Y225-W368 HydrophobicContact CD2-CD2 3.76Å; Y225-W368 HydrophobicContact CD2-CE3 4.05Å; Y225-W368 AromaticContact CD2-CG 3.57Å; Y225-W368 HydrophobicContact CD2-CG 3.57Å; Y225-W368 HydrophobicContact CE2-CB 3.94Å; Y225-W368 HydrophobicContact CE2-CG 4.31Å; Y225-W368 HydrophobicContact CG-CD2 4.28Å; Y225-W368 HydrophobicContact CG-CE3 4.2Å; Y225-W372 AromaticContact CD1-CE2 3.99Å; Y225-W372 AromaticContact CD1-CZ2 3.87Å; Y225-W372 HydrophobicContact CD1-CZ2 3.87Å; Y225-W372 AromaticContact CD1-NE1 3.62Å; Y225-W372 AromaticContact CD2-NE1 3.31Å; Y225-W372 VanDerWaalsContact CD2-NE1 3.31Å; Y225-W372 AromaticContact CE1-NE1 3.88Å; Y225-W372 AromaticContact CE2-NE1 3.54Å; Y225-W372 AromaticContact CG-CE2 3.87Å; Y225-W372 AromaticContact CG-CZ2 3.8Å; Y225-W372 HydrophobicContact CG-CZ2 3.8Å; Y225-W372 AromaticContact CG-NE1 3.33Å; Y225-W372 VanDerWaalsContact CG-NE1 3.33Å; Y225-W372 AromaticContact CZ-NE1 3.84Å
226L94.9Very high93.1Very high0 Ų020.5 Ų20.50%011%0.109CC..Hα-helixtrans-59.6-42.2-176.5-71.6169.4000111.2A222 N223 G224 V229 G230 M231 A234 M238 L293 I297A222-L226 WeakPolarHBondContact O-CB 3.39Å; A222-L226 WeakPolarHBondContact O-CD1 3.43Å; A222-L226 WeakPolarHBondContact O-CG 3.25Å; A222-L226 PolarHBondContact O-N 3.25Å; N223-L226 PolarHBondContact O-N 3.46Å; G224-L226 PolarHBondContact O-N 3.08Å; L226-V229 WeakPolarHBondContact O-CG2 3.05Å; L226-G230 PolarHBondContact O-N 3.36Å; L226-M231 HydrophobicContact CB-CB 4.24Å; L226-M231 HydrophobicContact CB-SD 4.24Å; L226-M231 HydrophobicContact CD1-SD 4.3Å; L226-M231 HydrophobicContact CD2-CE 3.96Å; L226-M231 HydrophobicContact CD2-SD 3.93Å; L226-M231 HydrophobicContact CG-SD 4.38Å; L226-M231 WeakPolarHBondContact O-CA 3.36Å; L226-M231 WeakPolarHBondContact O-CB 3.24Å; L226-M231 PolarHBondContact O-N 3.44Å; L226-A234 HydrophobicContact CB-CB 3.6Å; L226-A234 HydrophobicContact CD1-CB 4.43Å; L226-M238 HydrophobicContact CD1-CG 3.7Å; L226-M238 HydrophobicContact CD1-SD 4.14Å; L226-L293 HydrophobicContact CD2-CB 4.01Å; L226-L293 HydrophobicContact CD2-CD1 4.4Å; L226-L293 HydrophobicContact CD2-CD2 4.11Å; L226-L293 HydrophobicContact CD2-CG 4.42Å; L226-I297 HydrophobicContact CD1-CD1 3.69Å; L226-I297 HydrophobicContact CD1-CG1 3.93Å; L226-I297 HydrophobicContact CD2-CD1 4.2Å
227T91.5Very high93Very high49 Ų4924.5 Ų24.530%0.30112%0.124SC..Hα-helixtrans-66.1-42.9176.8-61.10000112.3L17 N223 G224 Y225 G230 A234L17-T227 HydrophobicContact CD2-CG2 3.61Å; N223-T227 PolarHBondContact O-N 3.45Å; N223-T227 VanDerWaalsContact O-N 3.09Å; N223-T227 PolarHBondContact O-OG1 3.42Å; G224-T227 PolarHBondContact O-N 3.2Å; Y225-T227 VanDerWaalsContact C-N 3.29Å; Y225-T227 PolarHBondContact O-N 2.83Å; T227-G230 PolarHBondContact O-N 2.83Å; T227-G230 VanDerWaalsContact O-N 3.1Å; T227-A234 WeakPolarHBondContact OG1-CB 3.36Å
228E90.8Very high93Very high45 Ų4525.4 Ų25.421%0.2113%0.129CC..Hα-helixtrans-69.7-35.4-175.8-156.5176.6121.400112.8G224 Y225 G230 L364 T365 F366 W368G224-E228 WeakPolarHBondContact O-CB 3.46Å; G224-E228 PolarHBondContact O-N 3.16Å; Y225-E228 PolarHBondContact O-N 2.97Å; Y225-E228 VanDerWaalsContact O-N 3.16Å; E228-G230 PolarHBondContact O-N 3.1Å; E228-L364 HydrophobicContact CB-CD2 4.37Å; E228-L364 HydrophobicContact CG-CD2 3.87Å; E228-L364 VanDerWaalsContact OE1-C 3.31Å; E228-L364 WeakPolarHBondContact OE1-CA 3.1Å; E228-T365 VanDerWaalsContact CD-OG1 3.28Å; E228-T365 PolarHBondContact OE1-N 3.18Å; E228-T365 PolarHBondContact OE1-OG1 3.26Å; E228-T365 PolarHBondContact OE2-OG1 3.08Å; E228-F366 PolarHBondContact OE1-N 3.49Å; E228-W368 PolarHBondContact OE1-NE1 2.93Å; E228-W368 WeakPolarHBondContact OE2-CZ2 3.01Å; E228-W368 PolarHBondContact OE2-NE1 2.85Å
229V92.1Very high92.9Very high22 Ų2225.6 Ų25.613%0.13313%0.13CC..THydrogen-bonded Turntrans-75-1.1172.4-57.60000113.7Y225 L226 A284 L293 L364Y225-V229 HydrophobicContact CD2-CG1 3.76Å; Y225-V229 HydrophobicContact CE2-CB 4.5Å; Y225-V229 HydrophobicContact CE2-CG1 3.4Å; Y225-V229 HydrophobicContact CE2-CG2 4.35Å; Y225-V229 WeakPolarHBondContact O-CG2 3.39Å; Y225-V229 PolarHBondContact O-N 3.37Å; L226-V229 WeakPolarHBondContact O-CG2 3.05Å; V229-A284 WeakPolarHBondContact O-CB 3.08Å; V229-A284 PolarHBondContact O-N 3.01Å; V229-L293 HydrophobicContact CG2-CD1 3.78Å; V229-L293 HydrophobicContact CG2-CD2 4.24Å; V229-L364 HydrophobicContact CG1-CD2 4.3Å
230G90.2Very high92.9Very high41 Ų4125 Ų2542%0.42313%0.131SC..THydrogen-bonded Turntrans101.39.4172.300000116.1L226 T227 E228 K232L226-G230 PolarHBondContact O-N 3.36Å; T227-G230 PolarHBondContact O-N 2.83Å; T227-G230 VanDerWaalsContact O-N 3.1Å; E228-G230 PolarHBondContact O-N 3.1Å; G230-K232 PolarHBondContact O-N 3.16Å; G230-K232 VanDerWaalsContact O-N 3.12Å
231M91.9Very high92.8Very high3 Ų325 Ų252%0.01513%0.131CC..  trans-70.5108.6172.8-176.2179.8-79.500110.4L226 N233 W237 Y290 L293 F294 I297L226-M231 HydrophobicContact CB-CB 4.24Å; L226-M231 HydrophobicContact CB-SD 4.24Å; L226-M231 HydrophobicContact CD1-SD 4.3Å; L226-M231 HydrophobicContact CD2-CE 3.96Å; L226-M231 HydrophobicContact CD2-SD 3.93Å; L226-M231 HydrophobicContact CG-SD 4.38Å; L226-M231 WeakPolarHBondContact O-CA 3.36Å; L226-M231 WeakPolarHBondContact O-CB 3.24Å; L226-M231 PolarHBondContact O-N 3.44Å; M231-N233 PolarHBondContact O-N 3.43Å; M231-W237 HydrophobicContact SD-CB 3.98Å; M231-W237 HydrophobicContact SD-CG 4.26Å; M231-Y290 HydrophobicContact CB-CE2 4.3Å; M231-Y290 HydrophobicContact CE-CE2 4.26Å; M231-Y290 HydrophobicContact CG-CE2 4.37Å; M231-L293 HydrophobicContact CB-CD1 4.46Å; M231-L293 HydrophobicContact CE-CB 3.42Å; M231-L293 VanDerWaalsContact CE-CB 3.42Å; M231-L293 HydrophobicContact CE-CD1 3.88Å; M231-L293 HydrophobicContact CE-CG 4.3Å; M231-F294 HydrophobicContact CE-CD1 4.47Å; M231-F294 HydrophobicContact CE-CD2 4.26Å; M231-F294 HydrophobicContact CE-CE1 4.19Å; M231-F294 HydrophobicContact CE-CE2 3.95Å; M231-F294 HydrophobicContact CE-CG 4.5Å; M231-F294 HydrophobicContact CE-CZ 3.92Å; M231-I297 HydrophobicContact CE-CD1 4.08Å; M231-I297 HydrophobicContact SD-CD1 3.98Å
232K88.1Confident92.6Very high170 Ų17025.9 Ų25.974%0.73914%0.135SC*.THydrogen-bonded Turntrans-64.3135.5170.5-63.4-177.9-178.6177.80109.6G230 W237G230-K232 PolarHBondContact O-N 3.16Å; G230-K232 VanDerWaalsContact O-N 3.12Å; K232-W237 PolarHBondContact O-NE1 3.21Å
233N90.5Very high92.4Very high29 Ų2931 Ų3116%0.15516%0.157CC..THydrogen-bonded Turntrans63.137177.6-54-14.8000114.4F137 Q140 M231 T235 G236 W237F137-N233 HydrophobicContact CD1-CB 3.96Å; F137-N233 WeakPolarHBondContact CD1-ND2 3.37Å; F137-N233 HydrophobicContact CE1-CB 3.58Å; F137-N233 HydrophobicContact CZ-CB 4.26Å; Q140-N233 PolarHBondContact NE2-OD1 3.22Å; Q140-N233 PolarHBondContact OE1-ND2 3.42Å; Q140-N233 PolarHBondContact OE1-OD1 2.95Å; M231-N233 PolarHBondContact O-N 3.43Å; N233-T235 PolarHBondContact O-N 2.64Å; N233-G236 WeakPolarHBondContact O-CA 3.26Å; N233-G236 PolarHBondContact O-N 2.97Å; N233-W237 PolarHBondContact O-N 3.25Å
234A92.4Very high92.4Very high2 Ų231.4 Ų31.42%0.01716%0.16CC..Hα-helixtrans-46.9-45176.200000112.6L226 T227 G236 W237 M238L226-A234 HydrophobicContact CB-CB 3.6Å; L226-A234 HydrophobicContact CD1-CB 4.43Å; T227-A234 WeakPolarHBondContact OG1-CB 3.36Å; A234-G236 VanDerWaalsContact C-N 3.3Å; A234-G236 PolarHBondContact O-N 3.42Å; A234-W237 PolarHBondContact O-N 2.65Å; A234-M238 VanDerWaalsContact O-CG 3.3Å; A234-M238 WeakPolarHBondContact O-CG 3.38Å; A234-M238 PolarHBondContact O-N 2.61Å
235T93Very high92.3Very high2 Ų232.3 Ų32.31%0.01216%0.164CC..Hα-helixtrans-53.5-43.8175.9-51.70000112.9V13 P14 C135 S148 N223 N233V13-T235 HydrophobicContact CG1-CG2 4.15Å; P14-T235 HydrophobicContact CB-CG2 4.18Å; C135-T235 HydrophobicContact CB-CG2 4.2Å; S148-T235 WeakPolarHBondContact CB-OG1 3.3Å; S148-T235 PolarHBondContact OG-OG1 3.3Å; N223-T235 WeakPolarHBondContact ND2-CA 3.42Å; N223-T235 PolarHBondContact ND2-N 3.12Å; N223-T235 PolarHBondContact ND2-OG1 3.45Å; N223-T235 VanDerWaalsContact ND2-OG1 3.14Å; N233-T235 PolarHBondContact O-N 2.64Å
236G93.3Very high91.9Very high0 Ų034.9 Ų34.90%018%0.177CC..Hα-helixtrans-72.3-45.7177.600000112.2F137 N233 A234 M238 T239F137-G236 VanDerWaalsContact CE2-C 3.41Å; F137-G236 VanDerWaalsContact CE2-CA 3.49Å; N233-G236 WeakPolarHBondContact O-CA 3.26Å; N233-G236 PolarHBondContact O-N 2.97Å; A234-G236 VanDerWaalsContact C-N 3.3Å; A234-G236 PolarHBondContact O-N 3.42Å; G236-M238 VanDerWaalsContact C-N 3.32Å; G236-M238 PolarHBondContact O-N 3.41Å; G236-T239 WeakPolarHBondContact O-CB 3.48Å; G236-T239 WeakPolarHBondContact O-CG2 3.49Å; G236-T239 PolarHBondContact O-N 3.38Å; G236-T239 PolarHBondContact O-OG1 3.13Å
237W94.1Very high91.6Very high85 Ų8541.3 Ų41.332%0.32221%0.205SC..Hα-helixtrans-66.4-30-177.9-74122.1000114F137 M231 K232 N233 A234 T239 L240 F294 I297F137-W237 HydrophobicContact CE1-CD2 4.49Å; F137-W237 HydrophobicContact CE1-CZ2 4.35Å; F137-W237 AromaticContact CZ-CD2 3.68Å; F137-W237 HydrophobicContact CZ-CD2 3.68Å; F137-W237 AromaticContact CZ-CE2 3.67Å; F137-W237 HydrophobicContact CZ-CE3 4.1Å; F137-W237 AromaticContact CZ-CG 4Å; F137-W237 HydrophobicContact CZ-CG 4Å; F137-W237 HydrophobicContact CZ-CZ2 4.1Å; F137-W237 HydrophobicContact CZ-CZ3 4.5Å; F137-W237 AromaticContact CZ-NE1 3.92Å; M231-W237 HydrophobicContact SD-CB 3.98Å; M231-W237 HydrophobicContact SD-CG 4.26Å; K232-W237 PolarHBondContact O-NE1 3.21Å; N233-W237 PolarHBondContact O-N 3.25Å; A234-W237 PolarHBondContact O-N 2.65Å; W237-T239 PolarHBondContact O-N 3.07Å; W237-T239 VanDerWaalsContact O-N 3.09Å; W237-L240 HydrophobicContact CE3-CD1 3.71Å; W237-L240 HydrophobicContact CE3-CG 4.23Å; W237-L240 HydrophobicContact CZ3-CD1 4.2Å; W237-L240 VanDerWaalsContact O-CB 3.29Å; W237-L240 WeakPolarHBondContact O-CB 3.26Å; W237-L240 VanDerWaalsContact O-CG 3.29Å; W237-L240 WeakPolarHBondContact O-CG 3.34Å; W237-L240 PolarHBondContact O-N 3.41Å; W237-F294 AromaticContact CD2-CE1 3.64Å; W237-F294 HydrophobicContact CD2-CE1 3.64Å; W237-F294 HydrophobicContact CD2-CZ 4.39Å; W237-F294 AromaticContact CE2-CE1 3.97Å; W237-F294 HydrophobicContact CE3-CD1 4.43Å; W237-F294 AromaticContact CE3-CE1 3.76Å; W237-F294 HydrophobicContact CE3-CE1 3.76Å; W237-F294 HydrophobicContact CG-CE1 4.02Å; W237-F294 HydrophobicContact CH2-CE1 4.47Å; W237-F294 HydrophobicContact CZ2-CE1 4.38Å; W237-F294 HydrophobicContact CZ3-CE1 4.18Å; W237-I297 HydrophobicContact CB-CD1 4.33Å
238M94.5Very high91.6Very high18 Ų1841 Ų419%0.08920%0.2CC..THydrogen-bonded Turntrans-59.5-21.9177-78.3-179.871.600113.5V13 A222 N223 L226 A234 G236 L240 G241 Q242V13-M238 HydrophobicContact CG1-CE 4.38Å; V13-M238 HydrophobicContact CG1-SD 4.08Å; A222-M238 HydrophobicContact CB-CE 3.72Å; A222-M238 HydrophobicContact CB-SD 4.4Å; N223-M238 VanDerWaalsContact CA-SD 3.52Å; N223-M238 HydrophobicContact CB-CE 4.42Å; N223-M238 HydrophobicContact CB-SD 3.56Å; N223-M238 VanDerWaalsContact CB-SD 3.56Å; L226-M238 HydrophobicContact CD1-CG 3.7Å; L226-M238 HydrophobicContact CD1-SD 4.14Å; A234-M238 VanDerWaalsContact O-CG 3.3Å; A234-M238 WeakPolarHBondContact O-CG 3.38Å; A234-M238 PolarHBondContact O-N 2.61Å; G236-M238 VanDerWaalsContact C-N 3.32Å; G236-M238 PolarHBondContact O-N 3.41Å; M238-L240 PolarHBondContact O-N 2.71Å; M238-L240 VanDerWaalsContact O-N 3.15Å; M238-G241 PolarHBondContact O-N 3.21Å; M238-Q242 PolarHBondContact O-OE1 3.14Å
239T93.5Very high91.2Very high9 Ų943.1 Ų43.16%0.05521%0.211CC..THydrogen-bonded Turntrans-62.1-18.6174.363.40000113.6G236 W237 G241 Q242 F243G236-T239 WeakPolarHBondContact O-CB 3.48Å; G236-T239 WeakPolarHBondContact O-CG2 3.49Å; G236-T239 PolarHBondContact O-N 3.38Å; G236-T239 PolarHBondContact O-OG1 3.13Å; W237-T239 PolarHBondContact O-N 3.07Å; W237-T239 VanDerWaalsContact O-N 3.09Å; T239-G241 PolarHBondContact O-N 2.83Å; T239-Q242 PolarHBondContact O-N 3.1Å; T239-Q242 VanDerWaalsContact O-N 3.14Å; T239-F243 WeakPolarHBondContact O-CD2 3.5Å; T239-F243 PolarHBondContact O-N 3.13Å; T239-F243 VanDerWaalsContact O-N 3.12Å
240L94.1Very high90.8Very high42 Ų4248.7 Ų48.722%0.2224%0.239CC..Hα-helixtrans-58.4-28.2171.6-69.4177.2000112.3W237 M238 F243 S244 F294 I297 L298W237-L240 HydrophobicContact CE3-CD1 3.71Å; W237-L240 HydrophobicContact CE3-CG 4.23Å; W237-L240 HydrophobicContact CZ3-CD1 4.2Å; W237-L240 VanDerWaalsContact O-CB 3.29Å; W237-L240 WeakPolarHBondContact O-CB 3.26Å; W237-L240 VanDerWaalsContact O-CG 3.29Å; W237-L240 WeakPolarHBondContact O-CG 3.34Å; W237-L240 PolarHBondContact O-N 3.41Å; M238-L240 PolarHBondContact O-N 2.71Å; M238-L240 VanDerWaalsContact O-N 3.15Å; L240-F243 PolarHBondContact O-N 3.08Å; L240-S244 PolarHBondContact O-N 3.35Å; L240-F294 HydrophobicContact CD1-CD1 3.9Å; L240-F294 HydrophobicContact CD1-CE1 4.48Å; L240-I297 HydrophobicContact CB-CG2 3.84Å; L240-L298 HydrophobicContact CB-CD2 4.06Å; L240-L298 HydrophobicContact CB-CG 4.46Å
241G92.9Very high90.7Very high0 Ų047.7 Ų47.70%023%0.227CC..Hα-helixtrans-59.1-48.2174.100000111.7M238 T239 S244 E245 I297M238-G241 PolarHBondContact O-N 3.21Å; T239-G241 PolarHBondContact O-N 2.83Å; G241-S244 CarbonylContact O-C 3.49Å; G241-S244 WeakPolarHBondContact O-CA 3.39Å; G241-S244 VanDerWaalsContact O-CB 3.29Å; G241-S244 WeakPolarHBondContact O-CB 3.33Å; G241-S244 PolarHBondContact O-N 3.01Å; G241-S244 VanDerWaalsContact O-N 3.09Å; G241-E245 PolarHBondContact O-N 3.28Å; G241-I297 WeakPolarHBondContact CA-O 3.1Å
242Q91.3Very high90.5Very high18 Ų1847.9 Ų47.98%0.08423%0.228CC..Hα-helixtrans-72.8-30.6-179.7-73.87117.400112.4T125 W128 I129 M238 T239 S244 E245 I246T125-Q242 HydrophobicContact CG2-CB 4.16Å; W128-Q242 HydrophobicContact CG-CG 4.3Å; I129-Q242 HydrophobicContact CD1-CB 4.17Å; I129-Q242 HydrophobicContact CG1-CB 3.84Å; M238-Q242 PolarHBondContact O-OE1 3.14Å; T239-Q242 PolarHBondContact O-N 3.1Å; T239-Q242 VanDerWaalsContact O-N 3.14Å; Q242-S244 VanDerWaalsContact C-N 3.3Å; Q242-E245 WeakPolarHBondContact O-CB 3.33Å; Q242-E245 PolarHBondContact O-N 2.81Å; Q242-I246 WeakPolarHBondContact O-CG1 3.33Å; Q242-I246 PolarHBondContact O-N 3.17Å; Q242-I246 VanDerWaalsContact O-N 3.12Å
243F90.8Very high90.3Very high107 Ų10744 Ų4447%0.46922%0.22SC..Hα-helixtrans-61.4-41.3166.6-86.7-76.4000111.5I129 T239 L240 I246 F247I129-F243 HydrophobicContact CD1-CD1 4.46Å; I129-F243 HydrophobicContact CD1-CD2 4.04Å; I129-F243 HydrophobicContact CD1-CE1 4.42Å; I129-F243 HydrophobicContact CD1-CE2 4Å; I129-F243 HydrophobicContact CD1-CG 4.27Å; I129-F243 HydrophobicContact CD1-CZ 4.2Å; I129-F243 HydrophobicContact CG1-CD2 4.44Å; I129-F243 HydrophobicContact CG1-CE2 4.35Å; I129-F243 HydrophobicContact CG2-CD2 4.36Å; I129-F243 HydrophobicContact CG2-CE2 3.53Å; I129-F243 HydrophobicContact CG2-CZ 3.96Å; T239-F243 WeakPolarHBondContact O-CD2 3.5Å; T239-F243 PolarHBondContact O-N 3.13Å; T239-F243 VanDerWaalsContact O-N 3.12Å; L240-F243 PolarHBondContact O-N 3.08Å; F243-I246 PolarHBondContact O-N 2.91Å; F243-F247 PolarHBondContact O-N 3.23Å
244S92.9Very high90.2Very high11 Ų1147.9 Ų47.98%0.07724%0.236CC..Hα-helixtrans-64.8-39.8174.4-172.20000111.8L240 G241 Q242 I246 F247 F248 L298L240-S244 PolarHBondContact O-N 3.35Å; G241-S244 CarbonylContact O-C 3.49Å; G241-S244 WeakPolarHBondContact O-CA 3.39Å; G241-S244 VanDerWaalsContact O-CB 3.29Å; G241-S244 WeakPolarHBondContact O-CB 3.33Å; G241-S244 PolarHBondContact O-N 3.01Å; G241-S244 VanDerWaalsContact O-N 3.09Å; Q242-S244 VanDerWaalsContact C-N 3.3Å; S244-I246 PolarHBondContact O-N 3.16Å; S244-F247 PolarHBondContact O-N 3.22Å; S244-F248 WeakPolarHBondContact O-CD2 3.37Å; S244-F248 PolarHBondContact O-N 3.37Å; S244-F248 WeakPolarHBondContact OG-CD2 3.28Å; S244-L298 WeakPolarHBondContact CB-O 3.45Å; S244-L298 PolarHBondContact OG-O 2.89Å
245E89.9Confident90.1Very high23 Ų2350 Ų5011%0.10724%0.244CC..Hα-helixtrans-55.8-48.4174.8-68.8169.5-15800111.3G241 Q242 F247 F248 M249 H300 D305G241-E245 PolarHBondContact O-N 3.28Å; Q242-E245 WeakPolarHBondContact O-CB 3.33Å; Q242-E245 PolarHBondContact O-N 2.81Å; E245-F247 PolarHBondContact O-N 3.3Å; E245-F247 VanDerWaalsContact O-N 3.16Å; E245-F248 PolarHBondContact O-N 3.27Å; E245-M249 WeakPolarHBondContact O-CB 3.41Å; E245-M249 PolarHBondContact O-N 2.94Å; E245-H300 IonicContact OE1-CD2 3.39Å; E245-H300 PolarHBondContact OE1-CD2 2.96Å; E245-H300 IonicContact OE1-NE2 3.27Å; E245-H300 PolarHBondContact OE1-NE2 3.3Å; E245-D305 VanDerWaalsContact CA-OD2 3.22Å; E245-D305 WeakPolarHBondContact CA-OD2 3.47Å
246I86.7Confident89.8Confident56 Ų5651.7 Ų51.729%0.28726%0.255SS..Hα-helixtrans-55.5-41.7179.3-66168.6000111.2T125 I129 Q242 F243 S244 L250T125-I246 HydrophobicContact CG2-CD1 3.84Å; T125-I246 HydrophobicContact CG2-CG1 3.85Å; I129-I246 HydrophobicContact CD1-CD1 4.06Å; Q242-I246 WeakPolarHBondContact O-CG1 3.33Å; Q242-I246 PolarHBondContact O-N 3.17Å; Q242-I246 VanDerWaalsContact O-N 3.12Å; F243-I246 PolarHBondContact O-N 2.91Å; S244-I246 PolarHBondContact O-N 3.16Å; I246-L250 HydrophobicContact CG2-CD1 4.43Å; I246-L250 WeakPolarHBondContact O-CD1 3.5Å; I246-L250 VanDerWaalsContact O-CG 3.25Å; I246-L250 WeakPolarHBondContact O-CG 3.36Å; I246-L250 PolarHBondContact O-N 3.23Å
247F89.2Confident89.3Confident136 Ų13661 Ų6160%0.59630%0.295SS*.Hα-helixtrans-68.4-47.6178.9179.3-91.7000112.6F243 S244 E245 L250 A251F243-F247 PolarHBondContact O-N 3.23Å; S244-F247 PolarHBondContact O-N 3.22Å; E245-F247 PolarHBondContact O-N 3.3Å; E245-F247 VanDerWaalsContact O-N 3.16Å; F247-L250 PolarHBondContact O-N 2.92Å; F247-A251 PolarHBondContact O-N 3.24Å; F247-A251 VanDerWaalsContact O-N 3.08Å
248F90.6Very high89Confident43 Ų4365.2 Ų65.219%0.18931%0.311CS..Hα-helixtrans-78-29.2-174.6-78.6-79.7000113.4S244 E245 L250 A251 L252 V302 D305 F306S244-F248 WeakPolarHBondContact O-CD2 3.37Å; S244-F248 PolarHBondContact O-N 3.37Å; S244-F248 WeakPolarHBondContact OG-CD2 3.28Å; E245-F248 PolarHBondContact O-N 3.27Å; F248-L250 VanDerWaalsContact C-N 3.32Å; F248-L250 PolarHBondContact O-N 3.38Å; F248-A251 CarbonylContact O-C 3.51Å; F248-A251 PolarHBondContact O-N 3.41Å; F248-L252 PolarHBondContact O-N 2.96Å; F248-V302 HydrophobicContact CD1-CG1 4.41Å; F248-V302 HydrophobicContact CD1-CG2 4.03Å; F248-V302 HydrophobicContact CD2-CB 4.32Å; F248-V302 HydrophobicContact CD2-CG2 3.35Å; F248-V302 HydrophobicContact CE1-CG1 4.45Å; F248-V302 HydrophobicContact CE1-CG2 3.87Å; F248-V302 HydrophobicContact CE2-CB 4.49Å; F248-V302 HydrophobicContact CE2-CG2 3.18Å; F248-V302 HydrophobicContact CG-CB 4.4Å; F248-V302 HydrophobicContact CG-CG2 3.79Å; F248-V302 HydrophobicContact CZ-CG2 3.46Å; F248-V302 VanDerWaalsContact CZ-CG2 3.46Å; F248-D305 HydrophobicContact CB-CB 4.42Å; F248-F306 HydrophobicContact CB-CE1 4.26Å; F248-F306 AromaticContact CD1-CE1 3.84Å; F248-F306 HydrophobicContact CD1-CE1 3.84Å; F248-F306 HydrophobicContact CD1-CE2 4.4Å; F248-F306 AromaticContact CD1-CZ 3.61Å; F248-F306 HydrophobicContact CD1-CZ 3.61Å; F248-F306 HydrophobicContact CE1-CZ 4.17Å; F248-F306 HydrophobicContact CG-CE1 4.5Å
249M83.6Confident88.7Confident89 Ų8968.2 Ų68.244%0.43832%0.324SS..Hα-helixtrans-60-42.3168.1-171.6178.9-64.800111.5E245 A251 L252 D305 V309E245-M249 WeakPolarHBondContact O-CB 3.41Å; E245-M249 PolarHBondContact O-N 2.94Å; M249-A251 VanDerWaalsContact C-N 3.33Å; M249-L252 VanDerWaalsContact O-CB 3.28Å; M249-L252 WeakPolarHBondContact O-CB 3.39Å; M249-L252 PolarHBondContact O-N 3.49Å; M249-D305 PolarHBondContact N-OD2 3.02Å; M249-V309 HydrophobicContact CE-CG2 4.32Å
250L82.6Confident88.4Confident139 Ų13968 Ų6873%0.72832%0.323SS*.Hα-helixtrans-68.9-31.6174.6-69.3173.1000112.6I246 F247 F248 L252 P253I246-L250 HydrophobicContact CG2-CD1 4.43Å; I246-L250 WeakPolarHBondContact O-CD1 3.5Å; I246-L250 VanDerWaalsContact O-CG 3.25Å; I246-L250 WeakPolarHBondContact O-CG 3.36Å; I246-L250 PolarHBondContact O-N 3.23Å; F247-L250 PolarHBondContact O-N 2.92Å; F248-L250 VanDerWaalsContact C-N 3.32Å; F248-L250 PolarHBondContact O-N 3.38Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L250-P253 WeakPolarHBondContact O-CD 3.35Å
251A89Confident88.2Confident20 Ų2066.6 Ų66.617%0.16532%0.316CS..Hα-helixtrans-78.8-16.1175.700000113.2F247 F248 M249 P253 F254 F255F247-A251 PolarHBondContact O-N 3.24Å; F247-A251 VanDerWaalsContact O-N 3.08Å; F248-A251 CarbonylContact O-C 3.51Å; F248-A251 PolarHBondContact O-N 3.41Å; M249-A251 VanDerWaalsContact C-N 3.33Å; A251-P253 VanDerWaalsContact C-CD 3.49Å; A251-F254 WeakPolarHBondContact O-CB 3.24Å; A251-F254 PolarHBondContact O-N 3.27Å; A251-F255 HydrophobicContact CB-CD2 4.04Å; A251-F255 HydrophobicContact CB-CE2 3.93Å; A251-F255 WeakPolarHBondContact O-CD2 3.24Å; A251-F255 PolarHBondContact O-N 3.01Å
252L87.5Confident88.2Confident7 Ų768.9 Ų68.94%0.03733%0.326CS..Hα-helixtrans-56.8-42.3-171.6-169.565.3000114.5F248 M249 L250 F254 F255 T256 V264 F306 V309 T310 I313F248-L252 PolarHBondContact O-N 2.96Å; M249-L252 VanDerWaalsContact O-CB 3.28Å; M249-L252 WeakPolarHBondContact O-CB 3.39Å; M249-L252 PolarHBondContact O-N 3.49Å; L250-L252 VanDerWaalsContact C-N 3.33Å; L252-F254 PolarHBondContact O-N 3.3Å; L252-F255 PolarHBondContact O-N 2.83Å; L252-T256 HydrophobicContact CD1-CG2 4.08Å; L252-T256 HydrophobicContact CG-CG2 4.13Å; L252-T256 WeakPolarHBondContact O-CG2 3.3Å; L252-T256 PolarHBondContact O-N 2.85Å; L252-T256 PolarHBondContact O-OG1 2.92Å; L252-V264 HydrophobicContact CD1-CG1 3.99Å; L252-F306 HydrophobicContact CD1-CD1 3.75Å; L252-F306 HydrophobicContact CD1-CE1 4.1Å; L252-V309 HydrophobicContact CD2-CB 4.11Å; L252-V309 HydrophobicContact CD2-CG1 3.58Å; L252-T310 WeakPolarHBondContact CD1-OG1 3.11Å; L252-I313 HydrophobicContact CD2-CD1 3.8Å
253P83.5Confident88.3Confident87 Ų8773.2 Ų73.257%0.56534%0.344SS*.Hα-helixtrans-59.9-34.7176.5-24.135.6000112.8L250 A251 T256 K257L250-P253 WeakPolarHBondContact O-CD 3.35Å; A251-P253 VanDerWaalsContact C-CD 3.49Å; P253-T256 WeakPolarHBondContact CA-OG1 3.43Å; P253-T256 PolarHBondContact O-OG1 3.42Å; P253-K257 WeakPolarHBondContact O-CB 3.46Å; P253-K257 PolarHBondContact O-N 3.27Å; P253-K257 VanDerWaalsContact O-N 3.1Å
254F89.5Confident88.4Confident112 Ų11268.1 Ų68.149%0.49132%0.322SS..Hα-helixtrans-68-46.3177.3168.6-95.5000111.5A251 L252 R258A251-F254 WeakPolarHBondContact O-CB 3.24Å; A251-F254 PolarHBondContact O-N 3.27Å; L252-F254 PolarHBondContact O-N 3.3Å; F254-R258 VanDerWaalsContact O-CB 3.25Å; F254-R258 WeakPolarHBondContact O-CB 3.28Å; F254-R258 PolarHBondContact O-N 3.21Å
255F90.3Very high88.5Confident46 Ų4667.6 Ų67.620%0.20232%0.319CS..Hα-helixtrans-67.4-44.8-179.6-79.5-83.6000112.3A251 L252 K257 R258 F259 V264 F306A251-F255 HydrophobicContact CB-CD2 4.04Å; A251-F255 HydrophobicContact CB-CE2 3.93Å; A251-F255 WeakPolarHBondContact O-CD2 3.24Å; A251-F255 PolarHBondContact O-N 3.01Å; L252-F255 PolarHBondContact O-N 2.83Å; F255-K257 PolarHBondContact O-N 3.42Å; F255-R258 PolarHBondContact O-N 3.18Å; F255-F259 HydrophobicContact CB-CD2 4.41Å; F255-F259 AromaticContact CD1-CD2 3.67Å; F255-F259 HydrophobicContact CD1-CD2 3.67Å; F255-F259 AromaticContact CD1-CE2 3.54Å; F255-F259 HydrophobicContact CD1-CE2 3.54Å; F255-F259 HydrophobicContact CE1-CD2 4.44Å; F255-F259 AromaticContact CE1-CE2 3.89Å; F255-F259 HydrophobicContact CE1-CE2 3.89Å; F255-F259 HydrophobicContact CG-CD2 4.46Å; F255-F259 WeakPolarHBondContact O-CB 3.16Å; F255-F259 WeakPolarHBondContact O-CD2 3.38Å; F255-F259 PolarHBondContact O-N 3.13Å; F255-V264 HydrophobicContact CB-CG2 3.92Å; F255-F306 HydrophobicContact CB-CZ 4.4Å; F255-F306 HydrophobicContact CD1-CE2 4.4Å; F255-F306 HydrophobicContact CD1-CZ 4.08Å; F255-F306 HydrophobicContact CD2-CE1 4.04Å; F255-F306 AromaticContact CD2-CZ 3.59Å; F255-F306 HydrophobicContact CD2-CZ 3.59Å; F255-F306 HydrophobicContact CE1-CZ 4.26Å; F255-F306 AromaticContact CE2-CZ 3.79Å; F255-F306 HydrophobicContact CE2-CZ 3.79Å; F255-F306 HydrophobicContact CG-CE1 4.29Å; F255-F306 HydrophobicContact CG-CE2 4.47Å; F255-F306 AromaticContact CG-CZ 3.76Å; F255-F306 HydrophobicContact CG-CZ 3.76Å; F255-F306 HydrophobicContact CZ-CZ 4.12Å
256T86.1Confident88.8Confident38 Ų3868 Ų6823%0.23332%0.321CS..Hα-helixtrans-64.9-40179.2520000111.9L252 P253 G260 V264 T310L252-T256 HydrophobicContact CD1-CG2 4.08Å; L252-T256 HydrophobicContact CG-CG2 4.13Å; L252-T256 WeakPolarHBondContact O-CG2 3.3Å; L252-T256 PolarHBondContact O-N 2.85Å; L252-T256 PolarHBondContact O-OG1 2.92Å; P253-T256 WeakPolarHBondContact CA-OG1 3.43Å; P253-T256 PolarHBondContact O-OG1 3.42Å; T256-G260 VanDerWaalsContact O-CA 3.31Å; T256-G260 WeakPolarHBondContact O-CA 3.29Å; T256-G260 PolarHBondContact O-N 3.14Å; T256-V264 HydrophobicContact CG2-CG1 4.37Å; T256-V264 HydrophobicContact CG2-CG2 4.24Å; T256-T310 HydrophobicContact CG2-CG2 4.41Å
257K82.9Confident89.2Confident195 Ų19568.4 Ų68.485%0.84832%0.324SS*.Hα-helixtrans-68.4-36.2175.5-173.4174.9-179.5176.70113.2P253 F255P253-K257 WeakPolarHBondContact O-CB 3.46Å; P253-K257 PolarHBondContact O-N 3.27Å; P253-K257 VanDerWaalsContact O-N 3.1Å; F255-K257 PolarHBondContact O-N 3.42Å
258R87.1Confident89.5Confident173 Ų17362 Ų6265%0.65330%0.295SS*.Hα-helixtrans-85.1-37.9-175.1-176.1171.2-176.8159.10.8113.7F254 F255F254-R258 VanDerWaalsContact O-CB 3.25Å; F254-R258 WeakPolarHBondContact O-CB 3.28Å; F254-R258 PolarHBondContact O-N 3.21Å; F255-R258 PolarHBondContact O-N 3.18Å
259F88.4Confident89.8Confident82 Ų8259.9 Ų59.936%0.3629%0.286SS..Hα-helixtrans-111.8-12-171.4-59-72.2000113.5F255 K263 V264F255-F259 HydrophobicContact CB-CD2 4.41Å; F255-F259 AromaticContact CD1-CD2 3.67Å; F255-F259 HydrophobicContact CD1-CD2 3.67Å; F255-F259 AromaticContact CD1-CE2 3.54Å; F255-F259 HydrophobicContact CD1-CE2 3.54Å; F255-F259 HydrophobicContact CE1-CD2 4.44Å; F255-F259 AromaticContact CE1-CE2 3.89Å; F255-F259 HydrophobicContact CE1-CE2 3.89Å; F255-F259 HydrophobicContact CG-CD2 4.46Å; F255-F259 WeakPolarHBondContact O-CB 3.16Å; F255-F259 WeakPolarHBondContact O-CD2 3.38Å; F255-F259 PolarHBondContact O-N 3.13Å; F259-K263 HydrophobicContact CB-CB 4.04Å; F259-K263 HydrophobicContact CB-CD 4.38Å; F259-K263 WeakPolarHBondContact O-CB 3.48Å; F259-K263 VanDerWaalsContact O-CD 3.31Å; F259-K263 WeakPolarHBondContact O-CD 3.37Å; F259-K263 WeakPolarHBondContact O-CG 3.44Å; F259-V264 HydrophobicContact CB-CG2 4.48Å
260G88.6Confident90.4Very high4 Ų458.5 Ų58.54%0.04128%0.283CS..  trans80.4160.7-173.700000112.5T256 K262 V264 D394T256-G260 VanDerWaalsContact O-CA 3.31Å; T256-G260 WeakPolarHBondContact O-CA 3.29Å; T256-G260 PolarHBondContact O-N 3.14Å; G260-K262 PolarHBondContact O-N 3.47Å; G260-V264 WeakPolarHBondContact O-CG2 3.47Å; G260-V264 PolarHBondContact O-N 3.05Å; G260-D394 WeakPolarHBondContact CA-O 3.44Å
261I89.3Confident91.1Very high12 Ų1252.6 Ų52.66%0.06225%0.252CS..Hα-helixtrans-66.6-37.5-171.5-154.3158000112.6K263 V264 L265 T310 I313 Y314 I397I261-K263 PolarHBondContact O-N 3.05Å; I261-V264 PolarHBondContact O-N 2.74Å; I261-L265 HydrophobicContact CG1-CD1 4.45Å; I261-L265 WeakPolarHBondContact O-CG 3.45Å; I261-L265 PolarHBondContact O-N 3.46Å; I261-T310 HydrophobicContact CD1-CG2 4.04Å; I261-T310 HydrophobicContact CG1-CG2 3.38Å; I261-I313 HydrophobicContact CD1-CG2 4.38Å; I261-Y314 HydrophobicContact CD1-CD2 4.1Å; I261-Y314 HydrophobicContact CD1-CG 4.3Å; I261-Y314 HydrophobicContact CG2-CD2 4.15Å; I261-I397 HydrophobicContact CB-CD1 4.21Å; I261-I397 HydrophobicContact CD1-CD1 3.59Å; I261-I397 HydrophobicContact CG1-CD1 4.5Å; I261-I397 HydrophobicContact CG2-CD1 3.91Å; I261-I397 HydrophobicContact CG2-CG1 4.28Å
262K92.4Very high91.5Very high49 Ų4951.6 Ų51.621%0.21324%0.244CC..Hα-helixtrans-60.4-49-179.4171.3171174.6172.70111.4G260 V264 L265 L266 F390G260-K262 PolarHBondContact O-N 3.47Å; K262-V264 VanDerWaalsContact C-N 3.33Å; K262-V264 PolarHBondContact O-N 2.88Å; K262-L265 PolarHBondContact O-N 2.92Å; K262-L266 WeakPolarHBondContact O-CB 3.36Å; K262-L266 PolarHBondContact O-N 3.16Å; K262-F390 HydrophobicContact CB-CD1 4.17Å; K262-F390 HydrophobicContact CB-CE1 3.94Å; K262-F390 HydrophobicContact CD-CD1 4.05Å; K262-F390 WeakPolarHBondContact CE-O 3.31Å; K262-F390 HydrophobicContact CG-CD1 3.89Å; K262-F390 HydrophobicContact CG-CE1 4.19Å; K262-F390 PolarHBondContact NZ-O 2.67Å
263K93.2Very high91.9Very high108 Ų10852.3 Ų52.347%0.4725%0.251SS..Hα-helixtrans-67.6-34.9-178.1-63.2-168.7-178.1116.20112F259 I261 L267 D394F259-K263 HydrophobicContact CB-CB 4.04Å; F259-K263 HydrophobicContact CB-CD 4.38Å; F259-K263 WeakPolarHBondContact O-CB 3.48Å; F259-K263 VanDerWaalsContact O-CD 3.31Å; F259-K263 WeakPolarHBondContact O-CD 3.37Å; F259-K263 WeakPolarHBondContact O-CG 3.44Å; I261-K263 PolarHBondContact O-N 3.05Å; K263-L267 VanDerWaalsContact O-CB 3.29Å; K263-L267 WeakPolarHBondContact O-CB 3.3Å; K263-L267 PolarHBondContact O-N 3.42Å; K263-D394 WeakPolarHBondContact CE-OD2 3.36Å; K263-D394 IonicContact NZ-OD2 3.74Å; K263-D394 PolarHBondContact NZ-OD2 3.24Å
264V93.7Very high92.5Very high1 Ų151.8 Ų51.81%0.00624%0.243CC..Hα-helixtrans-67.7-46176.2177.60000111.2L252 F255 T256 F259 G260 I261 K262 L266 L267 G268 F306 T310L252-V264 HydrophobicContact CD1-CG1 3.99Å; F255-V264 HydrophobicContact CB-CG2 3.92Å; T256-V264 HydrophobicContact CG2-CG1 4.37Å; T256-V264 HydrophobicContact CG2-CG2 4.24Å; F259-V264 HydrophobicContact CB-CG2 4.48Å; G260-V264 WeakPolarHBondContact O-CG2 3.47Å; G260-V264 PolarHBondContact O-N 3.05Å; I261-V264 PolarHBondContact O-N 2.74Å; K262-V264 VanDerWaalsContact C-N 3.33Å; K262-V264 PolarHBondContact O-N 2.88Å; V264-L266 VanDerWaalsContact C-N 3.34Å; V264-L266 PolarHBondContact O-N 3.42Å; V264-L267 WeakPolarHBondContact O-CB 3.46Å; V264-L267 PolarHBondContact O-N 3.42Å; V264-L267 VanDerWaalsContact O-N 3.17Å; V264-G268 PolarHBondContact O-N 3.42Å; V264-F306 HydrophobicContact CG1-CB 3.93Å; V264-F306 HydrophobicContact CG1-CD1 4.13Å; V264-F306 HydrophobicContact CG1-CD2 4.5Å; V264-F306 HydrophobicContact CG1-CG 3.95Å; V264-T310 HydrophobicContact CB-CG2 4.38Å; V264-T310 HydrophobicContact CG1-CG2 4.13Å
265L94.4Very high92.9Very high0 Ų046.5 Ų46.50%022%0.22CC..Hα-helixtrans-57.7-46.9174.1-72.3170.1000111.7F204 I261 K262 L267 G268 L269 Y307 T310 A311 F386F204-L265 HydrophobicContact CD2-CD1 4.13Å; F204-L265 HydrophobicContact CE2-CD1 4.21Å; I261-L265 HydrophobicContact CG1-CD1 4.45Å; I261-L265 WeakPolarHBondContact O-CG 3.45Å; I261-L265 PolarHBondContact O-N 3.46Å; K262-L265 PolarHBondContact O-N 2.92Å; L265-L267 VanDerWaalsContact C-N 3.31Å; L265-L267 PolarHBondContact O-N 3.39Å; L265-G268 PolarHBondContact O-N 3.38Å; L265-G268 VanDerWaalsContact O-N 3.11Å; L265-L269 PolarHBondContact O-N 3.43Å; L265-L269 VanDerWaalsContact O-N 3.13Å; L265-Y307 HydrophobicContact CB-CD2 4.46Å; L265-Y307 HydrophobicContact CD2-CD2 4.12Å; L265-Y307 HydrophobicContact CD2-CE2 4.37Å; L265-Y307 WeakPolarHBondContact CD2-O 3.27Å; L265-Y307 WeakPolarHBondContact O-CD2 3.22Å; L265-T310 HydrophobicContact CD2-CG2 3.81Å; L265-T310 HydrophobicContact CG-CG2 3.78Å; L265-A311 HydrophobicContact CD2-CB 4.17Å; L265-F386 HydrophobicContact CB-CE1 3.91Å; L265-F386 HydrophobicContact CB-CZ 3.82Å; L265-F386 HydrophobicContact CD1-CZ 3.75Å; L265-F386 HydrophobicContact CG-CZ 4.43Å
266L95.6Very high93.2Very high30 Ų3044.3 Ų44.316%0.15721%0.21CC..Hα-helixtrans-62.2-39.5177.5-176.164.1000111.9K262 V264 G268 L269 V270 A383 F386 M387K262-L266 WeakPolarHBondContact O-CB 3.36Å; K262-L266 PolarHBondContact O-N 3.16Å; V264-L266 VanDerWaalsContact C-N 3.34Å; V264-L266 PolarHBondContact O-N 3.42Å; L266-G268 VanDerWaalsContact C-N 3.29Å; L266-G268 PolarHBondContact O-N 2.92Å; L266-L269 PolarHBondContact O-N 2.87Å; L266-V270 WeakPolarHBondContact O-CG2 3.39Å; L266-V270 PolarHBondContact O-N 3.47Å; L266-A383 HydrophobicContact CD1-CB 4.24Å; L266-F386 HydrophobicContact CB-CD1 4.48Å; L266-F386 HydrophobicContact CD1-CD1 4.4Å; L266-M387 HydrophobicContact CD1-CB 4.39Å; L266-M387 HydrophobicContact CD1-CE 4.32Å; L266-M387 HydrophobicContact CD2-CE 3.89Å; L266-M387 HydrophobicContact CD2-CG 4.49Å
267L95.4Very high93.7Very high66 Ų6643.5 Ų43.535%0.34621%0.21SC..Hα-helixtrans-63.2-35.8174.7-17660.3000111.8K263 V264 L265 V270 T271 F306K263-L267 VanDerWaalsContact O-CB 3.29Å; K263-L267 WeakPolarHBondContact O-CB 3.3Å; K263-L267 PolarHBondContact O-N 3.42Å; V264-L267 WeakPolarHBondContact O-CB 3.46Å; V264-L267 PolarHBondContact O-N 3.42Å; V264-L267 VanDerWaalsContact O-N 3.17Å; L265-L267 VanDerWaalsContact C-N 3.31Å; L265-L267 PolarHBondContact O-N 3.39Å; L267-V270 PolarHBondContact O-N 3.26Å; L267-T271 HydrophobicContact CD1-CG2 4.05Å; L267-T271 HydrophobicContact CG-CG2 4.35Å; L267-T271 WeakPolarHBondContact O-CB 3.39Å; L267-T271 VanDerWaalsContact O-CG2 3.28Å; L267-T271 WeakPolarHBondContact O-CG2 3.39Å; L267-T271 PolarHBondContact O-N 2.95Å; L267-T271 PolarHBondContact O-OG1 3.44Å; L267-F306 HydrophobicContact CB-CD2 4.27Å; L267-F306 HydrophobicContact CD2-CD2 3.66Å; L267-F306 HydrophobicContact CD2-CE2 3.46Å; L267-F306 VanDerWaalsContact CD2-CE2 3.46Å; L267-F306 HydrophobicContact CG-CD2 3.81Å; L267-F306 HydrophobicContact CG-CE2 4.08Å
268G96Very high94.4Very high0 Ų036.9 Ų36.90%018%0.181CC..Hα-helixtrans-59.8-44.8171.500000112.7V264 L265 L266 T271 A272V264-G268 PolarHBondContact O-N 3.42Å; L265-G268 PolarHBondContact O-N 3.38Å; L265-G268 VanDerWaalsContact O-N 3.11Å; L266-G268 VanDerWaalsContact C-N 3.29Å; L266-G268 PolarHBondContact O-N 2.92Å; G268-T271 WeakPolarHBondContact CA-OG1 3.15Å; G268-T271 PolarHBondContact O-OG1 3.17Å; G268-T271 VanDerWaalsContact O-OG1 3.05Å; G268-A272 WeakPolarHBondContact O-CB 3.25Å; G268-A272 PolarHBondContact O-N 3.01Å
269L97.2Very high94.8Very high0 Ų028.8 Ų28.80%015%0.15CC..Hα-helixtrans-65.4-44.9175.2-65.4176.1000112.2F211 L265 L266 A272 A273 Y307 I379 I382 A383 F386F211-L269 HydrophobicContact CB-CD2 4.17Å; F211-L269 HydrophobicContact CD1-CD2 4.27Å; F211-L269 HydrophobicContact CD2-CD2 3.39Å; F211-L269 HydrophobicContact CE2-CD2 3.74Å; F211-L269 HydrophobicContact CG-CD2 3.68Å; F211-L269 HydrophobicContact CZ-CD2 4.3Å; L265-L269 PolarHBondContact O-N 3.43Å; L265-L269 VanDerWaalsContact O-N 3.13Å; L266-L269 PolarHBondContact O-N 2.87Å; L269-A272 WeakPolarHBondContact O-CB 3.39Å; L269-A272 PolarHBondContact O-N 3.21Å; L269-A273 PolarHBondContact O-N 3Å; L269-Y307 HydrophobicContact CD1-CD2 4.43Å; L269-Y307 HydrophobicContact CD1-CE2 3.81Å; L269-Y307 HydrophobicContact CD2-CD2 3.68Å; L269-Y307 HydrophobicContact CD2-CE2 3.45Å; L269-Y307 VanDerWaalsContact CD2-CE2 3.45Å; L269-Y307 HydrophobicContact CD2-CG 4.37Å; L269-Y307 HydrophobicContact CG-CD2 3.65Å; L269-Y307 HydrophobicContact CG-CE2 3.48Å; L269-Y307 VanDerWaalsContact CG-CE2 3.48Å; L269-I379 HydrophobicContact CB-CG2 4.43Å; L269-I379 WeakPolarHBondContact O-CG2 3.45Å; L269-I382 HydrophobicContact CD1-CG2 4.16Å; L269-I382 HydrophobicContact CD2-CG2 4.17Å; L269-A383 HydrophobicContact CB-CB 4.01Å; L269-A383 HydrophobicContact CD1-CB 4.21Å; L269-F386 HydrophobicContact CD1-CB 4Å; L269-F386 HydrophobicContact CD1-CD1 4.44Å; L269-F386 HydrophobicContact CD1-CG 4.19Å
270V96.6Very high95.1Very high59 Ų5926.6 Ų26.636%0.35814%0.142SC..Hα-helixtrans-63.6-44.7-179.9170.30000111L266 L267 A272 A273 I274L266-V270 WeakPolarHBondContact O-CG2 3.39Å; L266-V270 PolarHBondContact O-N 3.47Å; L267-V270 PolarHBondContact O-N 3.26Å; V270-A272 VanDerWaalsContact C-N 3.29Å; V270-A272 PolarHBondContact O-N 3.01Å; V270-A273 PolarHBondContact O-N 3.5Å; V270-I274 HydrophobicContact CG1-CD1 3.86Å; V270-I274 HydrophobicContact CG1-CG1 4.46Å; V270-I274 WeakPolarHBondContact O-CG1 3.28Å; V270-I274 PolarHBondContact O-N 3.33Å
271T96.6Very high95.4Very high15 Ų1534.6 Ų34.69%0.09217%0.172CC..Hα-helixtrans-65.7-33.4177.550.70000112.1L267 G268 I274 R275 V302 S303L267-T271 HydrophobicContact CD1-CG2 4.05Å; L267-T271 HydrophobicContact CG-CG2 4.35Å; L267-T271 WeakPolarHBondContact O-CB 3.39Å; L267-T271 VanDerWaalsContact O-CG2 3.28Å; L267-T271 WeakPolarHBondContact O-CG2 3.39Å; L267-T271 PolarHBondContact O-N 2.95Å; L267-T271 PolarHBondContact O-OG1 3.44Å; G268-T271 WeakPolarHBondContact CA-OG1 3.15Å; G268-T271 PolarHBondContact O-OG1 3.17Å; G268-T271 VanDerWaalsContact O-OG1 3.05Å; T271-I274 PolarHBondContact O-N 3.33Å; T271-R275 WeakPolarHBondContact O-CB 3.46Å; T271-R275 PolarHBondContact O-N 3.09Å; T271-V302 HydrophobicContact CG2-CG1 3.91Å; T271-S303 PolarHBondContact OG1-OG 3.01Å
272A96.9Very high95.5Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-66.1-37.7172.600000112.8F211 G268 L269 V270 R275 Y276 S303 I379F211-A272 HydrophobicContact CE2-CB 3.65Å; F211-A272 HydrophobicContact CZ-CB 3.7Å; G268-A272 WeakPolarHBondContact O-CB 3.25Å; G268-A272 PolarHBondContact O-N 3.01Å; L269-A272 WeakPolarHBondContact O-CB 3.39Å; L269-A272 PolarHBondContact O-N 3.21Å; V270-A272 VanDerWaalsContact C-N 3.29Å; V270-A272 PolarHBondContact O-N 3.01Å; A272-R275 WeakPolarHBondContact O-CB 3.33Å; A272-Y276 PolarHBondContact O-N 3.42Å; A272-S303 WeakPolarHBondContact CA-OG 3.32Å; A272-S303 PolarHBondContact N-OG 3.41Å; A272-S303 VanDerWaalsContact N-OG 3.14Å; A272-I379 HydrophobicContact CB-CD1 3.98Å; A272-I379 HydrophobicContact CB-CG2 4.18Å
273A96.8Very high95.4Very high22 Ų2233.2 Ų33.218%0.18217%0.171CC..Hα-helixtrans-68.7-43.3174.400000111.6L269 V270 R275 Y276 G277 I379L269-A273 PolarHBondContact O-N 3Å; V270-A273 PolarHBondContact O-N 3.5Å; A273-R275 VanDerWaalsContact C-N 3.29Å; A273-R275 PolarHBondContact O-N 2.96Å; A273-Y276 PolarHBondContact O-N 3.29Å; A273-G277 PolarHBondContact O-N 2.89Å; A273-I379 HydrophobicContact CB-CB 4.24Å; A273-I379 HydrophobicContact CB-CG2 3.87Å
274I96.6Very high95.1Very high76 Ų7629.8 Ų29.839%0.3916%0.163SC..Hα-helixtrans-60.3-41.3175.6-68.2167.7000110.7V270 T271 Y276 G277 F278 L299V270-I274 HydrophobicContact CG1-CD1 3.86Å; V270-I274 HydrophobicContact CG1-CG1 4.46Å; V270-I274 WeakPolarHBondContact O-CG1 3.28Å; V270-I274 PolarHBondContact O-N 3.33Å; T271-I274 PolarHBondContact O-N 3.33Å; I274-Y276 VanDerWaalsContact C-N 3.3Å; I274-Y276 PolarHBondContact O-N 2.93Å; I274-G277 CarbonylContact O-C 3.59Å; I274-G277 VanDerWaalsContact O-CA 3.28Å; I274-G277 WeakPolarHBondContact O-CA 3.43Å; I274-G277 PolarHBondContact O-N 2.97Å; I274-F278 HydrophobicContact CG2-CD1 4.43Å; I274-F278 HydrophobicContact CG2-CD2 4.4Å; I274-F278 HydrophobicContact CG2-CE1 3.93Å; I274-F278 HydrophobicContact CG2-CE2 3.9Å; I274-F278 HydrophobicContact CG2-CZ 3.64Å; I274-F278 PolarHBondContact O-N 3.38Å; I274-L299 HydrophobicContact CB-CD1 4.36Å; I274-L299 HydrophobicContact CG2-CD1 3.8Å
275R97Very high94.8Very high0 Ų036.4 Ų36.40%020%0.199CC..Hα-helixtrans-53.4-48.6174.7175.3-176.571.2165.61.5111.6T271 A272 A273 G277 F278 F279 G296 L299T271-R275 WeakPolarHBondContact O-CB 3.46Å; T271-R275 PolarHBondContact O-N 3.09Å; A272-R275 WeakPolarHBondContact O-CB 3.33Å; A273-R275 VanDerWaalsContact C-N 3.29Å; A273-R275 PolarHBondContact O-N 2.96Å; R275-G277 VanDerWaalsContact C-N 3.32Å; R275-F278 WeakPolarHBondContact O-CB 3.37Å; R275-F278 PolarHBondContact O-N 3.47Å; R275-F279 HydrophobicContact CG-CD2 4.5Å; R275-F279 HydrophobicContact CG-CE2 4.09Å; R275-F279 HydrophobicContact CG-CZ 4.37Å; R275-F279 PolarHBondContact O-N 3.48Å; R275-F279 VanDerWaalsContact O-N 3.11Å; R275-G296 WeakPolarHBondContact CD-O 3.35Å; R275-G296 VanDerWaalsContact CG-O 3.24Å; R275-G296 WeakPolarHBondContact CG-O 3.25Å; R275-L299 HydrophobicContact CB-CB 3.96Å; R275-L299 HydrophobicContact CB-CD1 4.19Å; R275-L299 HydrophobicContact CG-CB 4.31Å
276Y97.2Very high94.5Very high0 Ų042.6 Ų42.60%023%0.227CC..Hα-helixtrans-69.3-33.5177.1-750.5000112P214 Y218 A272 A273 I274 F278 F279 I280 W372 G375 I379P214-Y276 HydrophobicContact CB-CE2 4.19Å; P214-Y276 PolarHBondContact O-OH 3.12Å; Y218-Y276 WeakPolarHBondContact CB-OH 3.37Å; Y218-Y276 HydrophobicContact CD2-CE1 4.46Å; Y218-Y276 PolarHBondContact N-OH 3.43Å; Y218-Y276 VanDerWaalsContact N-OH 3.12Å; A272-Y276 PolarHBondContact O-N 3.42Å; A273-Y276 PolarHBondContact O-N 3.29Å; I274-Y276 VanDerWaalsContact C-N 3.3Å; I274-Y276 PolarHBondContact O-N 2.93Å; Y276-F278 VanDerWaalsContact C-N 3.28Å; Y276-F278 PolarHBondContact O-N 3.44Å; Y276-F279 HydrophobicContact CD1-CD2 4.11Å; Y276-F279 HydrophobicContact CE1-CD2 4.45Å; Y276-F279 CarbonylContact O-C 3.47Å; Y276-F279 PolarHBondContact O-N 3.41Å; Y276-F279 VanDerWaalsContact O-N 3.1Å; Y276-I280 VanDerWaalsContact O-CG1 3.25Å; Y276-I280 WeakPolarHBondContact O-CG1 3.24Å; Y276-I280 PolarHBondContact O-N 3.46Å; Y276-W372 AromaticContact CD1-CE3 3.83Å; Y276-W372 HydrophobicContact CD1-CE3 3.83Å; Y276-W372 HydrophobicContact CD1-CZ3 4.19Å; Y276-W372 HydrophobicContact CD2-CE3 4.38Å; Y276-W372 AromaticContact CE1-CE3 3.61Å; Y276-W372 HydrophobicContact CE1-CE3 3.61Å; Y276-W372 AromaticContact CE1-CZ3 3.52Å; Y276-W372 HydrophobicContact CE1-CZ3 3.52Å; Y276-W372 HydrophobicContact CE2-CE3 4.2Å; Y276-W372 HydrophobicContact CE2-CZ3 4.46Å; Y276-W372 HydrophobicContact CG-CE3 4.19Å; Y276-W372 AromaticContact CZ-CE3 3.77Å; Y276-W372 AromaticContact CZ-CZ3 3.65Å; Y276-G375 VanDerWaalsContact CD2-C 3.49Å; Y276-I379 HydrophobicContact CD2-CD1 3.77Å; Y276-I379 HydrophobicContact CE2-CD1 3.87Å; Y276-I379 HydrophobicContact CG-CD1 4.46Å
277G95.9Very high94.2Very high22 Ų2251.7 Ų51.723%0.22726%0.261CS..Hα-helixtrans-50.5-46.7165.400000112.9A273 I274 R275 I280 Y281A273-G277 PolarHBondContact O-N 2.89Å; I274-G277 CarbonylContact O-C 3.59Å; I274-G277 VanDerWaalsContact O-CA 3.28Å; I274-G277 WeakPolarHBondContact O-CA 3.43Å; I274-G277 PolarHBondContact O-N 2.97Å; R275-G277 VanDerWaalsContact C-N 3.32Å; G277-I280 PolarHBondContact O-N 3.13Å; G277-Y281 WeakPolarHBondContact O-CD2 3.39Å
278F96.8Very high94.2Very high56 Ų5655.5 Ų55.525%0.24628%0.275CS..Hα-helixtrans-66.5-35.8176.5-65.6-17.4000113I274 R275 Y276 I280 Y281 G282 L292 L295 L299I274-F278 HydrophobicContact CG2-CD1 4.43Å; I274-F278 HydrophobicContact CG2-CD2 4.4Å; I274-F278 HydrophobicContact CG2-CE1 3.93Å; I274-F278 HydrophobicContact CG2-CE2 3.9Å; I274-F278 HydrophobicContact CG2-CZ 3.64Å; I274-F278 PolarHBondContact O-N 3.38Å; R275-F278 WeakPolarHBondContact O-CB 3.37Å; R275-F278 PolarHBondContact O-N 3.47Å; Y276-F278 VanDerWaalsContact C-N 3.28Å; Y276-F278 PolarHBondContact O-N 3.44Å; F278-I280 VanDerWaalsContact C-N 3.35Å; F278-Y281 PolarHBondContact O-N 3.32Å; F278-G282 WeakPolarHBondContact O-CA 3.27Å; F278-G282 PolarHBondContact O-N 2.98Å; F278-L292 HydrophobicContact CB-CB 4.2Å; F278-L292 HydrophobicContact CD1-CD2 3.96Å; F278-L292 HydrophobicContact CE1-CD2 4.3Å; F278-L292 HydrophobicContact CG-CD2 4.36Å; F278-L295 HydrophobicContact CD2-CB 3.63Å; F278-L295 HydrophobicContact CE2-CB 3.68Å; F278-L295 HydrophobicContact CE2-CD1 4.29Å; F278-L299 HydrophobicContact CD2-CD1 3.69Å; F278-L299 HydrophobicContact CE2-CD1 3.45Å; F278-L299 VanDerWaalsContact CE2-CD1 3.45Å; F278-L299 HydrophobicContact CE2-CG 4.43Å; F278-L299 HydrophobicContact CZ-CD1 4.44Å
279F96.4Very high94Very high2 Ų256.6 Ų56.61%0.00928%0.282CS..Hα-helixtrans-75.6-18.5175.7-65.3-18.9000114.4Y218 Y225 R275 Y276 Y281 G296 W372Y218-F279 AromaticContact CD2-CE2 3.93Å; Y218-F279 HydrophobicContact CD2-CE2 3.93Å; Y218-F279 AromaticContact CE2-CE2 3.81Å; Y218-F279 HydrophobicContact CE2-CE2 3.81Å; Y218-F279 HydrophobicContact CE2-CZ 4.12Å; Y225-F279 HydrophobicContact CD1-CG 4.39Å; Y225-F279 HydrophobicContact CE1-CB 3.88Å; Y225-F279 AromaticContact CE1-CD1 3.7Å; Y225-F279 HydrophobicContact CE1-CD1 3.7Å; Y225-F279 HydrophobicContact CE1-CD2 4.42Å; Y225-F279 HydrophobicContact CE1-CE1 4.29Å; Y225-F279 AromaticContact CE1-CG 3.77Å; Y225-F279 HydrophobicContact CE1-CG 3.77Å; Y225-F279 PolarHBondContact OH-O 2.89Å; R275-F279 HydrophobicContact CG-CD2 4.5Å; R275-F279 HydrophobicContact CG-CE2 4.09Å; R275-F279 HydrophobicContact CG-CZ 4.37Å; R275-F279 PolarHBondContact O-N 3.48Å; R275-F279 VanDerWaalsContact O-N 3.11Å; Y276-F279 HydrophobicContact CD1-CD2 4.11Å; Y276-F279 HydrophobicContact CE1-CD2 4.45Å; Y276-F279 CarbonylContact O-C 3.47Å; Y276-F279 PolarHBondContact O-N 3.41Å; Y276-F279 VanDerWaalsContact O-N 3.1Å; F279-Y281 VanDerWaalsContact C-N 3.34Å; F279-G296 VanDerWaalsContact CE1-CA 3.48Å; F279-W372 HydrophobicContact CB-CB 4.32Å; F279-W372 HydrophobicContact CB-CD2 3.98Å; F279-W372 HydrophobicContact CB-CG 3.73Å; F279-W372 HydrophobicContact CD2-CD2 4.16Å; F279-W372 HydrophobicContact CD2-CE3 4.29Å; F279-W372 HydrophobicContact CD2-CH2 4.36Å; F279-W372 HydrophobicContact CD2-CZ2 4.2Å; F279-W372 HydrophobicContact CD2-CZ3 4.41Å
280I95.6Very high93.9Very high36 Ų3659.8 Ų59.819%0.18529%0.294CS..Hα-helixtrans-68.2-37.6171.8-69.4162000110.9Y276 G277 F278 W372 T373 A376Y276-I280 VanDerWaalsContact O-CG1 3.25Å; Y276-I280 WeakPolarHBondContact O-CG1 3.24Å; Y276-I280 PolarHBondContact O-N 3.46Å; G277-I280 PolarHBondContact O-N 3.13Å; F278-I280 VanDerWaalsContact C-N 3.35Å; I280-W372 HydrophobicContact CG1-CB 3.72Å; I280-T373 WeakPolarHBondContact CD1-OG1 3.36Å; I280-A376 HydrophobicContact CD1-CB 4.37Å
281Y93.3Very high93.8Very high172 Ų17259 Ų5968%0.67529%0.294SS*.Hα-helixtrans-107.3-1-175-61.7-71.8000114.3G277 F278 F279G277-Y281 WeakPolarHBondContact O-CD2 3.39Å; F278-Y281 PolarHBondContact O-N 3.32Å; F279-Y281 VanDerWaalsContact C-N 3.34Å
282G92.4Very high93.8Very high8 Ų859 Ų598%0.08229%0.293CS..  trans-77135.6-177.800000112Y225 F278 T289Y225-G282 PolarHBondContact OH-O 3.44Å; Y225-G282 VanDerWaalsContact OH-O 3.1Å; F278-G282 WeakPolarHBondContact O-CA 3.27Å; F278-G282 PolarHBondContact O-N 2.98Å; G282-T289 WeakPolarHBondContact CA-O 3.47Å
283S90Very high93.8Very high24 Ų2459 Ų5917%0.16829%0.293CS..  trans-152.5165175.184.90000110.5D285 T289 Y290S283-D285 VanDerWaalsContact C-N 3.33Å; S283-D285 VanDerWaalsContact CB-OD2 3.3Å; S283-D285 WeakPolarHBondContact CB-OD2 3.17Å; S283-D285 PolarHBondContact OG-N 3.35Å; S283-D285 PolarHBondContact OG-OD2 3.45Å; S283-T289 PolarHBondContact N-O 2.77Å; S283-T289 CarbonylContact O-C 3.51Å; S283-T289 PolarHBondContact O-OG1 3.21Å; S283-T289 PolarHBondContact OG-OG1 2.84Å; S283-Y290 WeakPolarHBondContact O-CA 3.37Å; S283-Y290 PolarHBondContact O-N 3.12Å
284A87.1Confident93.7Very high37 Ų3760.1 Ų60.131%0.30629%0.294SS..SBendtrans-90.37176.200000114.4V229 Y290V229-A284 WeakPolarHBondContact O-CB 3.08Å; V229-A284 PolarHBondContact O-N 3.01Å; A284-Y290 HydrophobicContact CB-CD2 3.88Å; A284-Y290 HydrophobicContact CB-CE2 3.99Å
285D86Confident93.7Very high140 Ų14060.3 Ų60.375%0.74930%0.295SS*.SBendtrans-82.9-38.2-170.5-49.6-57.6000112.9S283S283-D285 VanDerWaalsContact C-N 3.33Å; S283-D285 VanDerWaalsContact CB-OD2 3.3Å; S283-D285 WeakPolarHBondContact CB-OD2 3.17Å; S283-D285 PolarHBondContact OG-N 3.35Å; S283-D285 PolarHBondContact OG-OD2 3.45Å
286E89.4Confident93.6Very high129 Ų12960.3 Ų60.360%0.60330%0.295SS*.SBendtrans-123.2150-177.5-62.1-172.9175.500111.2F288 T289 Y290E286-F288 PolarHBondContact O-N 2.93Å; E286-T289 PolarHBondContact N-OG1 2.88Å; E286-T289 PolarHBondContact O-N 3.05Å; E286-T289 PolarHBondContact O-OG1 3.23Å; E286-Y290 VanDerWaalsContact O-CB 3.23Å; E286-Y290 WeakPolarHBondContact O-CB 3.42Å; E286-Y290 PolarHBondContact O-N 3.06Å
287Y90Very high93.6Very high222 Ų22260.3 Ų60.387%0.87130%0.295SS*.Hα-helixtrans-55.4-39.4178.1-86.7-80.4000112.8A291Y287-A291 WeakPolarHBondContact O-CB 3.22Å; Y287-A291 PolarHBondContact O-N 3.42Å; Y287-A291 VanDerWaalsContact O-N 3.07Å
288F93.8Very high93.6Very high146 Ų14662.3 Ų62.364%0.6430%0.301SS*.Hα-helixtrans-68.7-50.1-179.9179.1-102.1000111.7E286 Y290 A291 L292E286-F288 PolarHBondContact O-N 2.93Å; F288-Y290 VanDerWaalsContact C-N 3.27Å; F288-Y290 PolarHBondContact O-N 3.36Å; F288-A291 WeakPolarHBondContact O-CB 3.4Å; F288-A291 PolarHBondContact O-N 3.48Å; F288-L292 HydrophobicContact CE1-CD1 4.15Å; F288-L292 HydrophobicContact CE1-CG 4.49Å; F288-L292 HydrophobicContact CZ-CD2 4.3Å; F288-L292 PolarHBondContact O-N 3.08Å
289T93.1Very high93.5Very high23 Ų2361.2 Ų61.214%0.14130%0.297CS..Hα-helixtrans-67-30.9179.659.40000111.8G282 S283 E286 L292G282-T289 WeakPolarHBondContact CA-O 3.47Å; S283-T289 PolarHBondContact N-O 2.77Å; S283-T289 CarbonylContact O-C 3.51Å; S283-T289 PolarHBondContact O-OG1 3.21Å; S283-T289 PolarHBondContact OG-OG1 2.84Å; E286-T289 PolarHBondContact N-OG1 2.88Å; E286-T289 PolarHBondContact O-N 3.05Å; E286-T289 PolarHBondContact O-OG1 3.23Å; T289-L292 WeakPolarHBondContact O-CB 3.36Å; T289-L292 PolarHBondContact O-N 3.06Å
290Y94.2Very high93.4Very high66 Ų6661.2 Ų61.226%0.25930%0.297SS..Hα-helixtrans-68.8-38.8174.9-164.5-126.9000111.6M231 S283 A284 E286 F288 L292 L293 F294M231-Y290 HydrophobicContact CB-CE2 4.3Å; M231-Y290 HydrophobicContact CE-CE2 4.26Å; M231-Y290 HydrophobicContact CG-CE2 4.37Å; S283-Y290 WeakPolarHBondContact O-CA 3.37Å; S283-Y290 PolarHBondContact O-N 3.12Å; A284-Y290 HydrophobicContact CB-CD2 3.88Å; A284-Y290 HydrophobicContact CB-CE2 3.99Å; E286-Y290 VanDerWaalsContact O-CB 3.23Å; E286-Y290 WeakPolarHBondContact O-CB 3.42Å; E286-Y290 PolarHBondContact O-N 3.06Å; F288-Y290 VanDerWaalsContact C-N 3.27Å; F288-Y290 PolarHBondContact O-N 3.36Å; Y290-L292 VanDerWaalsContact C-N 3.25Å; Y290-L292 PolarHBondContact O-N 3.33Å; Y290-L293 HydrophobicContact CD2-CD1 3.78Å; Y290-L293 HydrophobicContact CE2-CD1 4.11Å; Y290-L293 WeakPolarHBondContact O-CB 3.28Å; Y290-L293 PolarHBondContact O-N 3.23Å; Y290-L293 VanDerWaalsContact O-N 3.12Å; Y290-F294 AromaticContact CD1-CE2 3.72Å; Y290-F294 HydrophobicContact CD1-CE2 3.72Å; Y290-F294 AromaticContact CE1-CE2 3.43Å; Y290-F294 HydrophobicContact CE1-CE2 3.43Å; Y290-F294 VanDerWaalsContact CE1-CE2 3.43Å; Y290-F294 AromaticContact CE1-CZ 3.94Å; Y290-F294 HydrophobicContact CE1-CZ 3.94Å; Y290-F294 HydrophobicContact CE2-CE2 4.27Å; Y290-F294 HydrophobicContact CG-CE2 4.26Å; Y290-F294 AromaticContact CZ-CE2 3.73Å; Y290-F294 WeakPolarHBondContact O-CD2 3.28Å
291A95.1Very high93.2Very high42 Ų4259.5 Ų59.535%0.34729%0.288SS..Hα-helixtrans-60.6-34.4173.700000112.4Y287 F288 L293 F294 L295Y287-A291 WeakPolarHBondContact O-CB 3.22Å; Y287-A291 PolarHBondContact O-N 3.42Å; Y287-A291 VanDerWaalsContact O-N 3.07Å; F288-A291 WeakPolarHBondContact O-CB 3.4Å; F288-A291 PolarHBondContact O-N 3.48Å; A291-L293 PolarHBondContact O-N 3.29Å; A291-F294 PolarHBondContact O-N 3.34Å; A291-L295 WeakPolarHBondContact O-CG 3.34Å; A291-L295 PolarHBondContact O-N 3.28Å
292L96.4Very high93.2Very high15 Ų1551.8 Ų51.88%0.07926%0.259CS..Hα-helixtrans-60.8-33.9176-59.7-178.8000112.3F278 F288 T289 Y290 L295 G296F278-L292 HydrophobicContact CB-CB 4.2Å; F278-L292 HydrophobicContact CD1-CD2 3.96Å; F278-L292 HydrophobicContact CE1-CD2 4.3Å; F278-L292 HydrophobicContact CG-CD2 4.36Å; F288-L292 HydrophobicContact CE1-CD1 4.15Å; F288-L292 HydrophobicContact CE1-CG 4.49Å; F288-L292 HydrophobicContact CZ-CD2 4.3Å; F288-L292 PolarHBondContact O-N 3.08Å; T289-L292 WeakPolarHBondContact O-CB 3.36Å; T289-L292 PolarHBondContact O-N 3.06Å; Y290-L292 VanDerWaalsContact C-N 3.25Å; Y290-L292 PolarHBondContact O-N 3.33Å; L292-L295 HydrophobicContact CD2-CD1 4.42Å; L292-L295 PolarHBondContact O-N 3.23Å; L292-G296 PolarHBondContact O-N 2.94Å
293L95.9Very high93.3Very high0 Ų051.6 Ų51.60%026%0.256CS..Hα-helixtrans-62.4-48.1175.6-56.7-178.2000111.3Y225 L226 V229 M231 Y290 A291 G296 I297Y225-L293 HydrophobicContact CE1-CD2 3.75Å; Y225-L293 WeakPolarHBondContact OH-CD2 3.43Å; L226-L293 HydrophobicContact CD2-CB 4.01Å; L226-L293 HydrophobicContact CD2-CD1 4.4Å; L226-L293 HydrophobicContact CD2-CD2 4.11Å; L226-L293 HydrophobicContact CD2-CG 4.42Å; V229-L293 HydrophobicContact CG2-CD1 3.78Å; V229-L293 HydrophobicContact CG2-CD2 4.24Å; M231-L293 HydrophobicContact CB-CD1 4.46Å; M231-L293 HydrophobicContact CE-CB 3.42Å; M231-L293 VanDerWaalsContact CE-CB 3.42Å; M231-L293 HydrophobicContact CE-CD1 3.88Å; M231-L293 HydrophobicContact CE-CG 4.3Å; Y290-L293 HydrophobicContact CD2-CD1 3.78Å; Y290-L293 HydrophobicContact CE2-CD1 4.11Å; Y290-L293 WeakPolarHBondContact O-CB 3.28Å; Y290-L293 PolarHBondContact O-N 3.23Å; Y290-L293 VanDerWaalsContact O-N 3.12Å; A291-L293 PolarHBondContact O-N 3.29Å; L293-G296 PolarHBondContact O-N 3.45Å; L293-I297 WeakPolarHBondContact O-CG1 3.48Å; L293-I297 PolarHBondContact O-N 2.89Å
294F96.1Very high93.5Very high47 Ų4752.9 Ų52.921%0.20626%0.258CS..Hα-helixtrans-64.7-41.7177.6-68.9-82.7000112.3M231 W237 L240 Y290 A291 G296 I297 L298M231-F294 HydrophobicContact CE-CD1 4.47Å; M231-F294 HydrophobicContact CE-CD2 4.26Å; M231-F294 HydrophobicContact CE-CE1 4.19Å; M231-F294 HydrophobicContact CE-CE2 3.95Å; M231-F294 HydrophobicContact CE-CG 4.5Å; M231-F294 HydrophobicContact CE-CZ 3.92Å; W237-F294 AromaticContact CD2-CE1 3.64Å; W237-F294 HydrophobicContact CD2-CE1 3.64Å; W237-F294 HydrophobicContact CD2-CZ 4.39Å; W237-F294 AromaticContact CE2-CE1 3.97Å; W237-F294 HydrophobicContact CE3-CD1 4.43Å; W237-F294 AromaticContact CE3-CE1 3.76Å; W237-F294 HydrophobicContact CE3-CE1 3.76Å; W237-F294 HydrophobicContact CG-CE1 4.02Å; W237-F294 HydrophobicContact CH2-CE1 4.47Å; W237-F294 HydrophobicContact CZ2-CE1 4.38Å; W237-F294 HydrophobicContact CZ3-CE1 4.18Å; L240-F294 HydrophobicContact CD1-CD1 3.9Å; L240-F294 HydrophobicContact CD1-CE1 4.48Å; Y290-F294 AromaticContact CD1-CE2 3.72Å; Y290-F294 HydrophobicContact CD1-CE2 3.72Å; Y290-F294 AromaticContact CE1-CE2 3.43Å; Y290-F294 HydrophobicContact CE1-CE2 3.43Å; Y290-F294 VanDerWaalsContact CE1-CE2 3.43Å; Y290-F294 AromaticContact CE1-CZ 3.94Å; Y290-F294 HydrophobicContact CE1-CZ 3.94Å; Y290-F294 HydrophobicContact CE2-CE2 4.27Å; Y290-F294 HydrophobicContact CG-CE2 4.26Å; Y290-F294 AromaticContact CZ-CE2 3.73Å; Y290-F294 WeakPolarHBondContact O-CD2 3.28Å; A291-F294 PolarHBondContact O-N 3.34Å; F294-G296 VanDerWaalsContact C-N 3.3Å; F294-G296 PolarHBondContact O-N 3.21Å; F294-I297 PolarHBondContact O-N 3.22Å; F294-L298 WeakPolarHBondContact O-CG 3.28Å; F294-L298 PolarHBondContact O-N 2.84Å
295L95.9Very high93.6Very high79 Ų7951.1 Ų51.141%0.41424%0.244SC..Hα-helixtrans-62-39.9176-70.1173.9000111.4F278 A291 L292 L298 L299F278-L295 HydrophobicContact CD2-CB 3.63Å; F278-L295 HydrophobicContact CE2-CB 3.68Å; F278-L295 HydrophobicContact CE2-CD1 4.29Å; A291-L295 WeakPolarHBondContact O-CG 3.34Å; A291-L295 PolarHBondContact O-N 3.28Å; L292-L295 HydrophobicContact CD2-CD1 4.42Å; L292-L295 PolarHBondContact O-N 3.23Å; L295-L298 PolarHBondContact O-N 3.42Å; L295-L299 WeakPolarHBondContact O-CB 3.47Å; L295-L299 WeakPolarHBondContact O-CG 3.24Å; L295-L299 PolarHBondContact O-N 2.89Å
296G95.9Very high94Very high0 Ų044.6 Ų44.60%021%0.209CC..Hα-helixtrans-65.5-39175.300000112.9R275 F279 L292 L293 F294R275-G296 WeakPolarHBondContact CD-O 3.35Å; R275-G296 VanDerWaalsContact CG-O 3.24Å; R275-G296 WeakPolarHBondContact CG-O 3.25Å; F279-G296 VanDerWaalsContact CE1-CA 3.48Å; L292-G296 PolarHBondContact O-N 2.94Å; L293-G296 PolarHBondContact O-N 3.45Å; F294-G296 VanDerWaalsContact C-N 3.3Å; F294-G296 PolarHBondContact O-N 3.21Å
297I95.9Very high94.3Very high0 Ų038.5 Ų38.50%018%0.18CC..Hα-helixtrans-62.9-48.8173.4-64.8165.6000110.6L226 M231 W237 L240 G241 L293 F294 L299 H300L226-I297 HydrophobicContact CD1-CD1 3.69Å; L226-I297 HydrophobicContact CD1-CG1 3.93Å; L226-I297 HydrophobicContact CD2-CD1 4.2Å; M231-I297 HydrophobicContact CE-CD1 4.08Å; M231-I297 HydrophobicContact SD-CD1 3.98Å; W237-I297 HydrophobicContact CB-CD1 4.33Å; L240-I297 HydrophobicContact CB-CG2 3.84Å; G241-I297 WeakPolarHBondContact CA-O 3.1Å; L293-I297 WeakPolarHBondContact O-CG1 3.48Å; L293-I297 PolarHBondContact O-N 2.89Å; F294-I297 PolarHBondContact O-N 3.22Å; I297-L299 VanDerWaalsContact C-N 3.35Å; I297-L299 PolarHBondContact O-N 2.94Å; I297-H300 WeakPolarHBondContact O-CB 3.41Å; I297-H300 PolarHBondContact O-N 3.4Å; I297-H300 VanDerWaalsContact O-N 3.16Å
298L95.4Very high94.3Very high65 Ų6528.4 Ų28.434%0.3414%0.141SC..Hα-helixtrans-60.8-41.6-179.6-77.1165.9000112.2L240 S244 F294 L295 H300 G301L240-L298 HydrophobicContact CB-CD2 4.06Å; L240-L298 HydrophobicContact CB-CG 4.46Å; S244-L298 WeakPolarHBondContact CB-O 3.45Å; S244-L298 PolarHBondContact OG-O 2.89Å; F294-L298 WeakPolarHBondContact O-CG 3.28Å; F294-L298 PolarHBondContact O-N 2.84Å; L295-L298 PolarHBondContact O-N 3.42Å; L298-H300 PolarHBondContact O-N 3.12Å; L298-G301 PolarHBondContact O-N 2.94Å
299L96.1Very high94.1Very high32 Ų3223 Ų2317%0.16812%0.119CC..Hα-helixtrans-62-13.4179.2-79.1-179.6000114I274 R275 F278 L295 I297 G301 V302 S303I274-L299 HydrophobicContact CB-CD1 4.36Å; I274-L299 HydrophobicContact CG2-CD1 3.8Å; R275-L299 HydrophobicContact CB-CB 3.96Å; R275-L299 HydrophobicContact CB-CD1 4.19Å; R275-L299 HydrophobicContact CG-CB 4.31Å; F278-L299 HydrophobicContact CD2-CD1 3.69Å; F278-L299 HydrophobicContact CE2-CD1 3.45Å; F278-L299 VanDerWaalsContact CE2-CD1 3.45Å; F278-L299 HydrophobicContact CE2-CG 4.43Å; F278-L299 HydrophobicContact CZ-CD1 4.44Å; L295-L299 WeakPolarHBondContact O-CB 3.47Å; L295-L299 WeakPolarHBondContact O-CG 3.24Å; L295-L299 PolarHBondContact O-N 2.89Å; I297-L299 VanDerWaalsContact C-N 3.35Å; I297-L299 PolarHBondContact O-N 2.94Å; L299-G301 VanDerWaalsContact C-N 3.3Å; L299-G301 PolarHBondContact O-N 2.99Å; L299-V302 HydrophobicContact CD2-CG2 4.31Å; L299-S303 VanDerWaalsContact O-CB 3.3Å; L299-S303 WeakPolarHBondContact O-CB 3.29Å; L299-S303 PolarHBondContact O-N 3.3Å; L299-S303 PolarHBondContact O-OG 3.48Å
300H94.6Very high94Very high2 Ų221.9 Ų21.91%0.00911%0.112CC..Hα-helixtrans-54.7-48.3171.5178.537.2000111.6Y218 Y219 E245 I297 L298 V302 S303 Y304Y218-H300 HydrophobicContact CE1-CB 4.22Å; Y218-H300 AromaticContact CE1-CD2 3.78Å; Y218-H300 AromaticContact CE1-CE1 3.88Å; Y218-H300 AromaticContact CE1-CG 3.64Å; Y218-H300 AromaticContact CE1-ND1 3.72Å; Y218-H300 AromaticContact CE1-NE2 3.86Å; Y218-H300 AromaticContact CZ-CG 3.94Å; Y219-H300 AromaticContact CE1-CE1 3.86Å; Y219-H300 AromaticContact CE1-NE2 3.94Å; E245-H300 IonicContact OE1-CD2 3.39Å; E245-H300 PolarHBondContact OE1-CD2 2.96Å; E245-H300 IonicContact OE1-NE2 3.27Å; E245-H300 PolarHBondContact OE1-NE2 3.3Å; I297-H300 WeakPolarHBondContact O-CB 3.41Å; I297-H300 PolarHBondContact O-N 3.4Å; I297-H300 VanDerWaalsContact O-N 3.16Å; L298-H300 PolarHBondContact O-N 3.12Å; H300-V302 PolarHBondContact O-N 2.67Å; H300-S303 PolarHBondContact O-N 3.4Å; H300-Y304 VanDerWaalsContact O-CB 3.28Å; H300-Y304 WeakPolarHBondContact O-CB 3.44Å; H300-Y304 PolarHBondContact O-N 3.45Å
301G90.8Very high93.9Very high0 Ų018.8 Ų18.80%010%0.1CC..Hα-helixtrans-66.4-43.4-173.600000112.9L298 L299 S303 Y304 D305L298-G301 PolarHBondContact O-N 2.94Å; L299-G301 VanDerWaalsContact C-N 3.3Å; L299-G301 PolarHBondContact O-N 2.99Å; G301-S303 PolarHBondContact O-N 2.97Å; G301-Y304 PolarHBondContact O-N 3.28Å; G301-D305 WeakPolarHBondContact O-CB 3.28Å; G301-D305 PolarHBondContact O-N 3.16Å
302V93.6Very high93.6Very high11 Ų1119.1 Ų19.17%0.0679%0.093CC..Hα-helixtrans-56.4-52.3172.1-1740000111.2F248 T271 L299 H300 Y304 F306F248-V302 HydrophobicContact CD1-CG1 4.41Å; F248-V302 HydrophobicContact CD1-CG2 4.03Å; F248-V302 HydrophobicContact CD2-CB 4.32Å; F248-V302 HydrophobicContact CD2-CG2 3.35Å; F248-V302 HydrophobicContact CE1-CG1 4.45Å; F248-V302 HydrophobicContact CE1-CG2 3.87Å; F248-V302 HydrophobicContact CE2-CB 4.49Å; F248-V302 HydrophobicContact CE2-CG2 3.18Å; F248-V302 HydrophobicContact CG-CB 4.4Å; F248-V302 HydrophobicContact CG-CG2 3.79Å; F248-V302 HydrophobicContact CZ-CG2 3.46Å; F248-V302 VanDerWaalsContact CZ-CG2 3.46Å; T271-V302 HydrophobicContact CG2-CG1 3.91Å; L299-V302 HydrophobicContact CD2-CG2 4.31Å; H300-V302 PolarHBondContact O-N 2.67Å; V302-Y304 VanDerWaalsContact C-N 3.3Å; V302-Y304 PolarHBondContact O-N 2.87Å; V302-F306 HydrophobicContact CG1-CD2 3.68Å; V302-F306 HydrophobicContact CG1-CE2 3.79Å; V302-F306 HydrophobicContact CG1-CG 4.25Å; V302-F306 HydrophobicContact CG1-CZ 4.45Å; V302-F306 WeakPolarHBondContact O-CB 3.16Å; V302-F306 WeakPolarHBondContact O-CG 3.45Å; V302-F306 PolarHBondContact O-N 3.18Å
303S94.9Very high93.2Very high3 Ų321.3 Ų21.32%0.02110%0.104CC..Hα-helixtrans-62-42-175-56.20000111.3T271 A272 L299 H300 G301 Y307T271-S303 PolarHBondContact OG1-OG 3.01Å; A272-S303 WeakPolarHBondContact CA-OG 3.32Å; A272-S303 PolarHBondContact N-OG 3.41Å; A272-S303 VanDerWaalsContact N-OG 3.14Å; L299-S303 VanDerWaalsContact O-CB 3.3Å; L299-S303 WeakPolarHBondContact O-CB 3.29Å; L299-S303 PolarHBondContact O-N 3.3Å; L299-S303 PolarHBondContact O-OG 3.48Å; H300-S303 PolarHBondContact O-N 3.4Å; G301-S303 PolarHBondContact O-N 2.97Å; S303-Y307 VanDerWaalsContact O-CB 3.24Å; S303-Y307 WeakPolarHBondContact O-CB 3.43Å; S303-Y307 PolarHBondContact O-N 3.38Å
304Y92.3Very high93Very high52 Ų5221.3 Ų21.320%0.20410%0.104CC..Hα-helixtrans-71.5-49-177.8-173.9-94.2000111.7L215 H300 G301 V302 Y308 V309L215-Y304 HydrophobicContact CD2-CD2 4.05Å; L215-Y304 HydrophobicContact CD2-CE2 4.17Å; H300-Y304 VanDerWaalsContact O-CB 3.28Å; H300-Y304 WeakPolarHBondContact O-CB 3.44Å; H300-Y304 PolarHBondContact O-N 3.45Å; G301-Y304 PolarHBondContact O-N 3.28Å; V302-Y304 VanDerWaalsContact C-N 3.3Å; V302-Y304 PolarHBondContact O-N 2.87Å; Y304-Y308 AromaticContact CD2-CD2 3.97Å; Y304-Y308 HydrophobicContact CD2-CD2 3.97Å; Y304-Y308 AromaticContact CE2-CD2 4Å; Y304-Y308 HydrophobicContact CE2-CD2 4Å; Y304-Y308 HydrophobicContact CE2-CG 4.3Å; Y304-Y308 WeakPolarHBondContact O-CA 3.21Å; Y304-Y308 WeakPolarHBondContact O-CB 3.33Å; Y304-Y308 PolarHBondContact O-N 3.01Å; Y304-V309 HydrophobicContact CE1-CG2 4.4Å; Y304-V309 PolarHBondContact O-N 2.94Å
305D90.1Very high92.7Very high0 Ų019 Ų190%09%0.094CC..Iπ-helixtrans-68.3-46.9-178.7-70.1-24.7000112.1E245 F248 M249 G301 Y307 V309 T310E245-D305 VanDerWaalsContact CA-OD2 3.22Å; E245-D305 WeakPolarHBondContact CA-OD2 3.47Å; F248-D305 HydrophobicContact CB-CB 4.42Å; M249-D305 PolarHBondContact N-OD2 3.02Å; G301-D305 WeakPolarHBondContact O-CB 3.28Å; G301-D305 PolarHBondContact O-N 3.16Å; D305-Y307 PolarHBondContact O-N 3.17Å; D305-V309 HydrophobicContact CB-CG2 4.37Å; D305-V309 WeakPolarHBondContact O-CB 3.2Å; D305-V309 PolarHBondContact O-N 3.33Å; D305-V309 WeakPolarHBondContact OD1-CG2 3.38Å; D305-T310 PolarHBondContact O-N 3.5Å; D305-T310 VanDerWaalsContact O-N 3.16Å; D305-T310 PolarHBondContact O-OG1 3.49Å
306F94.9Very high92.1Very high3 Ų318 Ų181%0.0139%0.089CC..Iπ-helixtrans-67.8-26.4-178-745000112.3F248 L252 F255 V264 L267 V302 T310F248-F306 HydrophobicContact CB-CE1 4.26Å; F248-F306 AromaticContact CD1-CE1 3.84Å; F248-F306 HydrophobicContact CD1-CE1 3.84Å; F248-F306 HydrophobicContact CD1-CE2 4.4Å; F248-F306 AromaticContact CD1-CZ 3.61Å; F248-F306 HydrophobicContact CD1-CZ 3.61Å; F248-F306 HydrophobicContact CE1-CZ 4.17Å; F248-F306 HydrophobicContact CG-CE1 4.5Å; L252-F306 HydrophobicContact CD1-CD1 3.75Å; L252-F306 HydrophobicContact CD1-CE1 4.1Å; F255-F306 HydrophobicContact CB-CZ 4.4Å; F255-F306 HydrophobicContact CD1-CE2 4.4Å; F255-F306 HydrophobicContact CD1-CZ 4.08Å; F255-F306 HydrophobicContact CD2-CE1 4.04Å; F255-F306 AromaticContact CD2-CZ 3.59Å; F255-F306 HydrophobicContact CD2-CZ 3.59Å; F255-F306 HydrophobicContact CE1-CZ 4.26Å; F255-F306 AromaticContact CE2-CZ 3.79Å; F255-F306 HydrophobicContact CE2-CZ 3.79Å; F255-F306 HydrophobicContact CG-CE1 4.29Å; F255-F306 HydrophobicContact CG-CE2 4.47Å; F255-F306 AromaticContact CG-CZ 3.76Å; F255-F306 HydrophobicContact CG-CZ 3.76Å; F255-F306 HydrophobicContact CZ-CZ 4.12Å; V264-F306 HydrophobicContact CG1-CB 3.93Å; V264-F306 HydrophobicContact CG1-CD1 4.13Å; V264-F306 HydrophobicContact CG1-CD2 4.5Å; V264-F306 HydrophobicContact CG1-CG 3.95Å; L267-F306 HydrophobicContact CB-CD2 4.27Å; L267-F306 HydrophobicContact CD2-CD2 3.66Å; L267-F306 HydrophobicContact CD2-CE2 3.46Å; L267-F306 VanDerWaalsContact CD2-CE2 3.46Å; L267-F306 HydrophobicContact CG-CD2 3.81Å; L267-F306 HydrophobicContact CG-CE2 4.08Å; V302-F306 HydrophobicContact CG1-CD2 3.68Å; V302-F306 HydrophobicContact CG1-CE2 3.79Å; V302-F306 HydrophobicContact CG1-CG 4.25Å; V302-F306 HydrophobicContact CG1-CZ 4.45Å; V302-F306 WeakPolarHBondContact O-CB 3.16Å; V302-F306 WeakPolarHBondContact O-CG 3.45Å; V302-F306 PolarHBondContact O-N 3.18Å; F306-T310 WeakPolarHBondContact O-CB 3.2Å; F306-T310 PolarHBondContact O-OG1 3.41Å
307Y95.4Very high91.6Very high0 Ų023.4 Ų23.40%011%0.112CC..Iπ-helixtrans-91.8-72.3172.4-160.9-96.9000112.7C207 S208 F211 L265 L269 S303 D305 T310 A311C207-Y307 VanDerWaalsContact C-OH 3.27Å; C207-Y307 PolarHBondContact O-OH 3.41Å; S208-Y307 VanDerWaalsContact CA-OH 3.24Å; S208-Y307 WeakPolarHBondContact CA-OH 3.44Å; S208-Y307 PolarHBondContact N-OH 3.36Å; S208-Y307 VanDerWaalsContact N-OH 3.16Å; S208-Y307 PolarHBondContact OG-OH 3.42Å; F211-Y307 HydrophobicContact CB-CE1 3.93Å; F211-Y307 AromaticContact CD1-CD1 3.2Å; F211-Y307 HydrophobicContact CD1-CD1 3.2Å; F211-Y307 AromaticContact CD1-CE1 3.39Å; F211-Y307 HydrophobicContact CD1-CE1 3.39Å; F211-Y307 AromaticContact CD1-CG 3.8Å; F211-Y307 HydrophobicContact CD1-CG 3.8Å; F211-Y307 AromaticContact CE1-CD1 3.53Å; F211-Y307 HydrophobicContact CE1-CD1 3.53Å; F211-Y307 HydrophobicContact CE1-CE1 4.19Å; F211-Y307 AromaticContact CE1-CG 3.75Å; F211-Y307 HydrophobicContact CE1-CG 3.75Å; F211-Y307 HydrophobicContact CG-CD1 4.13Å; F211-Y307 AromaticContact CG-CE1 3.94Å; F211-Y307 HydrophobicContact CG-CE1 3.94Å; L265-Y307 HydrophobicContact CB-CD2 4.46Å; L265-Y307 HydrophobicContact CD2-CD2 4.12Å; L265-Y307 HydrophobicContact CD2-CE2 4.37Å; L265-Y307 WeakPolarHBondContact CD2-O 3.27Å; L265-Y307 WeakPolarHBondContact O-CD2 3.22Å; L269-Y307 HydrophobicContact CD1-CD2 4.43Å; L269-Y307 HydrophobicContact CD1-CE2 3.81Å; L269-Y307 HydrophobicContact CD2-CD2 3.68Å; L269-Y307 HydrophobicContact CD2-CE2 3.45Å; L269-Y307 VanDerWaalsContact CD2-CE2 3.45Å; L269-Y307 HydrophobicContact CD2-CG 4.37Å; L269-Y307 HydrophobicContact CG-CD2 3.65Å; L269-Y307 HydrophobicContact CG-CE2 3.48Å; L269-Y307 VanDerWaalsContact CG-CE2 3.48Å; S303-Y307 VanDerWaalsContact O-CB 3.24Å; S303-Y307 WeakPolarHBondContact O-CB 3.43Å; S303-Y307 PolarHBondContact O-N 3.38Å; D305-Y307 PolarHBondContact O-N 3.17Å; Y307-T310 PolarHBondContact O-N 2.91Å; Y307-A311 WeakPolarHBondContact O-CB 3.49Å; Y307-A311 PolarHBondContact O-N 3.44Å
308Y90.9Very high91.3Very high11 Ų1123.7 Ų23.74%0.04311%0.114CC..Iπ-helixtrans-71-43.8-168.7-84.1-69.4000113.9S208 F211 A212 L215 Y304 T310 A311 Y312 C335S208-Y308 PolarHBondContact O-OH 3.34Å; F211-Y308 HydrophobicContact CD1-CD2 4.3Å; F211-Y308 AromaticContact CD1-CE2 3.5Å; F211-Y308 HydrophobicContact CD1-CE2 3.5Å; F211-Y308 VanDerWaalsContact CD1-CE2 3.5Å; F211-Y308 AromaticContact CD1-CZ 3.91Å; F211-Y308 HydrophobicContact CE1-CD2 4.1Å; F211-Y308 AromaticContact CE1-CE2 3.62Å; F211-Y308 HydrophobicContact CE1-CE2 3.62Å; A212-Y308 WeakPolarHBondContact CA-OH 3.29Å; A212-Y308 WeakPolarHBondContact CB-OH 3.29Å; A212-Y308 PolarHBondContact N-OH 2.93Å; A212-Y308 VanDerWaalsContact N-OH 3.11Å; L215-Y308 HydrophobicContact CD2-CD2 3.79Å; L215-Y308 HydrophobicContact CD2-CE2 3.29Å; Y304-Y308 AromaticContact CD2-CD2 3.97Å; Y304-Y308 HydrophobicContact CD2-CD2 3.97Å; Y304-Y308 AromaticContact CE2-CD2 4Å; Y304-Y308 HydrophobicContact CE2-CD2 4Å; Y304-Y308 HydrophobicContact CE2-CG 4.3Å; Y304-Y308 WeakPolarHBondContact O-CA 3.21Å; Y304-Y308 WeakPolarHBondContact O-CB 3.33Å; Y304-Y308 PolarHBondContact O-N 3.01Å; Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 3.11Å; Y308-A311 WeakPolarHBondContact O-CB 3.05Å; Y308-A311 PolarHBondContact O-N 2.94Å; Y308-Y312 WeakPolarHBondContact O-CD2 3.28Å; Y308-Y312 PolarHBondContact O-N 3.12Å; Y308-C335 HydrophobicContact CE1-CB 3.93Å
309V88.2Confident90.7Very high31 Ų3120.6 Ų20.619%0.18810%0.098CC..Iπ-helixtrans-65.3-41.7178.3-1790000110M249 L252 Y304 D305 A311 Y312 I313M249-V309 HydrophobicContact CE-CG2 4.32Å; L252-V309 HydrophobicContact CD2-CB 4.11Å; L252-V309 HydrophobicContact CD2-CG1 3.58Å; Y304-V309 HydrophobicContact CE1-CG2 4.4Å; Y304-V309 PolarHBondContact O-N 2.94Å; D305-V309 HydrophobicContact CB-CG2 4.37Å; D305-V309 WeakPolarHBondContact O-CB 3.2Å; D305-V309 PolarHBondContact O-N 3.33Å; D305-V309 WeakPolarHBondContact OD1-CG2 3.38Å; V309-A311 VanDerWaalsContact C-N 3.34Å; V309-A311 PolarHBondContact O-N 3.45Å; V309-Y312 PolarHBondContact O-N 2.79Å; V309-I313 HydrophobicContact CG1-CD1 4.44Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 3.42Å; V309-I313 VanDerWaalsContact O-N 3.15Å
310T90.7Very high89.6Confident0 Ų019.8 Ų19.80%09%0.094CC..Hα-helixtrans-63.6-38.3173.5-53.70000112.6L252 T256 I261 V264 L265 D305 F306 Y307 Y308 Y312 I313 Y314L252-T310 WeakPolarHBondContact CD1-OG1 3.11Å; T256-T310 HydrophobicContact CG2-CG2 4.41Å; I261-T310 HydrophobicContact CD1-CG2 4.04Å; I261-T310 HydrophobicContact CG1-CG2 3.38Å; V264-T310 HydrophobicContact CB-CG2 4.38Å; V264-T310 HydrophobicContact CG1-CG2 4.13Å; L265-T310 HydrophobicContact CD2-CG2 3.81Å; L265-T310 HydrophobicContact CG-CG2 3.78Å; D305-T310 PolarHBondContact O-N 3.5Å; D305-T310 VanDerWaalsContact O-N 3.16Å; D305-T310 PolarHBondContact O-OG1 3.49Å; F306-T310 WeakPolarHBondContact O-CB 3.2Å; F306-T310 PolarHBondContact O-OG1 3.41Å; Y307-T310 PolarHBondContact O-N 2.91Å; Y308-T310 VanDerWaalsContact C-N 3.3Å; Y308-T310 PolarHBondContact O-N 3.11Å; T310-Y312 VanDerWaalsContact C-N 3.34Å; T310-Y312 PolarHBondContact O-N 2.96Å; T310-I313 WeakPolarHBondContact O-CB 3.49Å; T310-I313 PolarHBondContact O-N 3.3Å; T310-Y314 PolarHBondContact O-N 2.96Å
311A92.7Very high88.1Confident1 Ų125 Ų251%0.00813%0.126CC..Hα-helixtrans-60.9-43.3176.600000111.1F204 L265 Y307 Y308 V309 I313 Y314 V315F204-A311 HydrophobicContact CE2-CB 3.53Å; F204-A311 HydrophobicContact CZ-CB 3.52Å; F204-A311 WeakPolarHBondContact CZ-O 3.12Å; L265-A311 HydrophobicContact CD2-CB 4.17Å; Y307-A311 WeakPolarHBondContact O-CB 3.49Å; Y307-A311 PolarHBondContact O-N 3.44Å; Y308-A311 WeakPolarHBondContact O-CB 3.05Å; Y308-A311 PolarHBondContact O-N 2.94Å; V309-A311 VanDerWaalsContact C-N 3.34Å; V309-A311 PolarHBondContact O-N 3.45Å; A311-I313 VanDerWaalsContact C-N 3.35Å; A311-I313 PolarHBondContact O-N 2.82Å; A311-Y314 WeakPolarHBondContact O-CB 3.35Å; A311-Y314 PolarHBondContact O-N 3.32Å; A311-V315 WeakPolarHBondContact O-CG2 3.48Å; A311-V315 PolarHBondContact O-N 3.46Å
312Y90Very high86.7Confident50 Ų5029.6 Ų29.620%0.19615%0.147CC..Hα-helixtrans-63-40.4174-63.4-48.7000112.3Y308 V309 T310 Y314 V315 D316 Q328 I331 Q336Y308-Y312 WeakPolarHBondContact O-CD2 3.28Å; Y308-Y312 PolarHBondContact O-N 3.12Å; V309-Y312 PolarHBondContact O-N 2.79Å; T310-Y312 VanDerWaalsContact C-N 3.34Å; T310-Y312 PolarHBondContact O-N 2.96Å; Y312-Y314 VanDerWaalsContact C-N 3.34Å; Y312-V315 PolarHBondContact O-N 2.77Å; Y312-D316 PolarHBondContact O-N 3.16Å; Y312-D316 VanDerWaalsContact O-N 3.11Å; Y312-Q328 VanDerWaalsContact CD1-OE1 3.32Å; Y312-Q328 PolarHBondContact O-NE2 3.08Å; Y312-I331 HydrophobicContact CD1-CG2 4.16Å; Y312-I331 HydrophobicContact CE1-CG2 4.07Å; Y312-Q336 PolarHBondContact OH-NE2 3.48Å
313I86.3Confident85.6Confident60 Ų6030.1 Ų30.131%0.30815%0.149SC..Hα-helixtrans-64-40174.7-63.7166000111.2L252 I261 V309 T310 A311 D316 K317L252-I313 HydrophobicContact CD2-CD1 3.8Å; I261-I313 HydrophobicContact CD1-CG2 4.38Å; V309-I313 HydrophobicContact CG1-CD1 4.44Å; V309-I313 WeakPolarHBondContact O-CG1 3.45Å; V309-I313 PolarHBondContact O-N 3.42Å; V309-I313 VanDerWaalsContact O-N 3.15Å; T310-I313 WeakPolarHBondContact O-CB 3.49Å; T310-I313 PolarHBondContact O-N 3.3Å; A311-I313 VanDerWaalsContact C-N 3.35Å; A311-I313 PolarHBondContact O-N 2.82Å; I313-D316 PolarHBondContact O-N 3.29Å; I313-K317 HydrophobicContact CG2-CD 4.23Å; I313-K317 WeakPolarHBondContact O-CG 3.25Å; I313-K317 PolarHBondContact O-N 2.96Å; I313-K317 VanDerWaalsContact O-N 3.13Å
314Y91.5Very high84.8Confident0 Ų033.8 Ų33.80%016%0.163CC..Hα-helixtrans-62.3-48.2177.2177.4-110.9000111.4F201 F204 I261 T310 A311 Y312 D316 K317 K318 F390 E392 I397F201-Y314 HydrophobicContact CD2-CE1 4.05Å; F204-Y314 HydrophobicContact CB-CD1 4.36Å; F204-Y314 HydrophobicContact CB-CE1 3.83Å; F204-Y314 AromaticContact CD1-CD1 3.62Å; F204-Y314 HydrophobicContact CD1-CD1 3.62Å; F204-Y314 AromaticContact CD1-CE1 3.64Å; F204-Y314 HydrophobicContact CD1-CE1 3.64Å; F204-Y314 AromaticContact CD2-CD1 3.66Å; F204-Y314 HydrophobicContact CD2-CD1 3.66Å; F204-Y314 HydrophobicContact CD2-CE1 4.01Å; F204-Y314 AromaticContact CE1-CD1 3.73Å; F204-Y314 HydrophobicContact CE1-CD1 3.73Å; F204-Y314 HydrophobicContact CE1-CE1 4.21Å; F204-Y314 AromaticContact CE2-CD1 3.74Å; F204-Y314 HydrophobicContact CE2-CD1 3.74Å; F204-Y314 HydrophobicContact CE2-CG 4.44Å; F204-Y314 AromaticContact CG-CD1 3.58Å; F204-Y314 HydrophobicContact CG-CD1 3.58Å; F204-Y314 AromaticContact CG-CE1 3.52Å; F204-Y314 HydrophobicContact CG-CE1 3.52Å; F204-Y314 AromaticContact CZ-CD1 3.76Å; F204-Y314 HydrophobicContact CZ-CD1 3.76Å; I261-Y314 HydrophobicContact CD1-CD2 4.1Å; I261-Y314 HydrophobicContact CD1-CG 4.3Å; I261-Y314 HydrophobicContact CG2-CD2 4.15Å; T310-Y314 PolarHBondContact O-N 2.96Å; A311-Y314 WeakPolarHBondContact O-CB 3.35Å; A311-Y314 PolarHBondContact O-N 3.32Å; Y312-Y314 VanDerWaalsContact C-N 3.34Å; Y314-D316 VanDerWaalsContact C-N 3.32Å; Y314-D316 PolarHBondContact O-N 3.47Å; Y314-K317 PolarHBondContact O-N 2.99Å; Y314-K318 HydrophobicContact CE1-CB 4.45Å; Y314-K318 HydrophobicContact CE1-CG 4.48Å; Y314-K318 HydrophobicContact CE2-CB 4.26Å; Y314-K318 HydrophobicContact CE2-CD 4.04Å; Y314-K318 HydrophobicContact CE2-CG 4.32Å; Y314-K318 VanDerWaalsContact O-CB 3.27Å; Y314-K318 WeakPolarHBondContact O-CB 3.48Å; Y314-K318 PolarHBondContact O-N 3.19Å; Y314-F390 HydrophobicContact CD2-CZ 4.46Å; Y314-F390 HydrophobicContact CE1-CE2 4.04Å; Y314-F390 HydrophobicContact CE1-CZ 4.16Å; Y314-F390 HydrophobicContact CE2-CE2 4.38Å; Y314-F390 AromaticContact CE2-CZ 3.85Å; Y314-F390 HydrophobicContact CE2-CZ 3.85Å; Y314-F390 AromaticContact CZ-CE2 3.72Å; Y314-F390 AromaticContact CZ-CZ 3.66Å; Y314-F390 WeakPolarHBondContact OH-CE2 3.5Å; Y314-E392 HydrophobicContact CE2-CG 3.91Å; Y314-E392 WeakPolarHBondContact CE2-OE2 3.45Å; Y314-E392 PolarHBondContact OH-OE2 3.21Å; Y314-I397 HydrophobicContact CD2-CD1 4.1Å; Y314-I397 HydrophobicContact CD2-CG1 4.5Å; Y314-I397 HydrophobicContact CD2-CG2 4.42Å; Y314-I397 HydrophobicContact CE2-CG2 4.27Å
315V91.1Very high83.8Confident0 Ų037.3 Ų37.30%019%0.19CC..Hα-helixtrans-58.9-44.1178.7173.10000111.2F201 F204 A311 Y312 K317 K318 A319 A327 Q328 I331F201-V315 HydrophobicContact CE2-CG1 4.4Å; F201-V315 HydrophobicContact CE2-CG2 4.06Å; F201-V315 HydrophobicContact CZ-CG1 4.46Å; F201-V315 HydrophobicContact CZ-CG2 4.4Å; F204-V315 HydrophobicContact CE1-CG2 3.41Å; F204-V315 VanDerWaalsContact CE1-CG2 3.41Å; F204-V315 HydrophobicContact CZ-CG2 3.76Å; A311-V315 WeakPolarHBondContact O-CG2 3.48Å; A311-V315 PolarHBondContact O-N 3.46Å; Y312-V315 PolarHBondContact O-N 2.77Å; V315-K317 PolarHBondContact O-N 2.76Å; V315-K318 PolarHBondContact O-N 3.16Å; V315-A319 WeakPolarHBondContact O-CB 3.15Å; V315-A319 PolarHBondContact O-N 3.48Å; V315-A327 HydrophobicContact CG1-CB 3.59Å; V315-Q328 HydrophobicContact CG1-CG 4.48Å; V315-I331 HydrophobicContact CG1-CG2 4.47Å; V315-I331 HydrophobicContact CG2-CB 4.34Å; V315-I331 HydrophobicContact CG2-CG1 4.33Å; V315-I331 HydrophobicContact CG2-CG2 4.26Å
316D83.8Confident83.1Confident58 Ų5838.3 Ų38.331%0.3120%0.198SC..Hα-helixtrans-62.9-41179.2-165.180.3000112.6Y312 I313 Y314 R324Y312-D316 PolarHBondContact O-N 3.16Å; Y312-D316 VanDerWaalsContact O-N 3.11Å; I313-D316 PolarHBondContact O-N 3.29Å; Y314-D316 VanDerWaalsContact C-N 3.32Å; Y314-D316 PolarHBondContact O-N 3.47Å; D316-R324 PolarHBondContact O-NE 2.97Å; D316-R324 WeakPolarHBondContact OD1-CD 3.45Å; D316-R324 IonicContact OD2-CZ 3.59Å; D316-R324 IonicContact OD2-NE 3.55Å; D316-R324 IonicContact OD2-NH1 2.71Å; D316-R324 PolarHBondContact OD2-NH1 2.83Å
317K85.1Confident82.6Confident112 Ų11238.2 Ų38.249%0.48720%0.198SC..Hα-helixtrans-75.4-34.8179.5-72.3-175.2173.7-170.60113.5I313 Y314 V315 I397I313-K317 HydrophobicContact CG2-CD 4.23Å; I313-K317 WeakPolarHBondContact O-CG 3.25Å; I313-K317 PolarHBondContact O-N 2.96Å; I313-K317 VanDerWaalsContact O-N 3.13Å; Y314-K317 PolarHBondContact O-N 2.99Å; V315-K317 PolarHBondContact O-N 2.76Å; K317-I397 HydrophobicContact CB-CB 4.13Å; K317-I397 HydrophobicContact CB-CD1 4.05Å; K317-I397 HydrophobicContact CB-CG2 3.81Å; K317-I397 HydrophobicContact CD-CD1 3.69Å
318K88.6Confident82.1Confident7 Ų740.3 Ų40.33%0.0321%0.208CC..Hα-helixtrans-81.1-31.7-177-161.673-176.8172.70112F201 Y314 V315 E392 I397 T398 A399 I400F201-K318 HydrophobicContact CD2-CB 4.22Å; F201-K318 HydrophobicContact CD2-CG 3.96Å; Y314-K318 HydrophobicContact CE1-CB 4.45Å; Y314-K318 HydrophobicContact CE1-CG 4.48Å; Y314-K318 HydrophobicContact CE2-CB 4.26Å; Y314-K318 HydrophobicContact CE2-CD 4.04Å; Y314-K318 HydrophobicContact CE2-CG 4.32Å; Y314-K318 VanDerWaalsContact O-CB 3.27Å; Y314-K318 WeakPolarHBondContact O-CB 3.48Å; Y314-K318 PolarHBondContact O-N 3.19Å; V315-K318 PolarHBondContact O-N 3.16Å; K318-E392 WeakPolarHBondContact CD-OE2 3.46Å; K318-E392 WeakPolarHBondContact CE-OE2 3.42Å; K318-E392 VanDerWaalsContact NZ-CD 3.26Å; K318-E392 IonicContact NZ-OE1 3.49Å; K318-E392 PolarHBondContact NZ-OE1 3.1Å; K318-E392 IonicContact NZ-OE2 2.62Å; K318-E392 PolarHBondContact NZ-OE2 2.87Å; K318-I397 HydrophobicContact CB-CG2 4.12Å; K318-I397 HydrophobicContact CD-CG2 3.73Å; K318-T398 WeakPolarHBondContact CD-O 3.18Å; K318-T398 PolarHBondContact NZ-O 3Å; K318-T398 VanDerWaalsContact NZ-O 3.16Å; K318-A399 WeakPolarHBondContact O-CA 3.15Å; K318-I400 HydrophobicContact CG-CD1 4.08Å; K318-I400 HydrophobicContact CG-CG1 4.19Å; K318-I400 PolarHBondContact O-N 3.29Å
319A82.9Confident81.8Confident0 Ų041.2 Ų41.20%022%0.22CC..SBendtrans-75.6138.4176.200000111.4L195 V315 R324 A327L195-A319 HydrophobicContact CD1-CB 3.9Å; V315-A319 WeakPolarHBondContact O-CB 3.15Å; V315-A319 PolarHBondContact O-N 3.48Å; A319-R324 HydrophobicContact CB-CG 4.13Å; A319-A327 HydrophobicContact CB-CB 3.83Å
320P73Confident81.8Confident15 Ų1540.2 Ų40.210%0.09721%0.214CC..  trans-60.6151170.426.6-33.1000110.3L195 H322 M323 R324 V402L195-P320 HydrophobicContact CD2-CG 4.42Å; P320-H322 PolarHBondContact O-N 3.18Å; P320-H322 VanDerWaalsContact O-N 3.1Å; P320-M323 HydrophobicContact CG-CB 4.07Å; P320-M323 HydrophobicContact CG-CG 3.86Å; P320-M323 HydrophobicContact CG-SD 3.89Å; P320-M323 PolarHBondContact O-N 3.4Å; P320-R324 PolarHBondContact O-N 3.21Å; P320-V402 HydrophobicContact CG-CG2 4.12Å
321V64.6Low81.8Confident112 Ų11240.3 Ų40.368%0.67921%0.214SC*.G310 helixtrans-52.2-41.3-168.81780000112.6M323V321-M323 VanDerWaalsContact C-N 3.32Å; V321-M323 PolarHBondContact O-N 3.45Å
322H59.4Low81.6Confident96 Ų9642.5 Ų42.544%0.44423%0.228SC..G310 helixtrans-73.6-16.9-17864.5-99.4000114P320 D404P320-H322 PolarHBondContact O-N 3.18Å; P320-H322 VanDerWaalsContact O-N 3.1Å; H322-D404 IonicContact CE1-OD1 2.85Å; H322-D404 PolarHBondContact CE1-OD1 3.4Å; H322-D404 IonicContact CE1-OD2 3.85Å; H322-D404 PolarHBondContact CE1-OD2 3.48Å; H322-D404 VanDerWaalsContact CE1-OD2 3.23Å; H322-D404 IonicContact ND1-OD2 2.97Å; H322-D404 PolarHBondContact ND1-OD2 3.13Å; H322-D404 IonicContact NE2-OD1 3.47Å
323M70.4Confident81.6Confident21 Ų2141.1 Ų41.110%0.10322%0.224CC..G310 helixtrans-106.2-3.6179.8-55.3-171.384.600114.4D191 I194 L195 P320 V321 T325 A326 A327D191-M323 HydrophobicContact CB-CE 4.37Å; D191-M323 WeakPolarHBondContact O-CE 3.31Å; I194-M323 HydrophobicContact CG2-CE 3.71Å; I194-M323 HydrophobicContact CG2-SD 4.05Å; L195-M323 HydrophobicContact CD2-SD 4.1Å; P320-M323 HydrophobicContact CG-CB 4.07Å; P320-M323 HydrophobicContact CG-CG 3.86Å; P320-M323 HydrophobicContact CG-SD 3.89Å; P320-M323 PolarHBondContact O-N 3.4Å; V321-M323 VanDerWaalsContact C-N 3.32Å; V321-M323 PolarHBondContact O-N 3.45Å; M323-T325 VanDerWaalsContact C-N 3.33Å; M323-T325 PolarHBondContact O-N 3.2Å; M323-A326 PolarHBondContact O-N 3.03Å; M323-A327 PolarHBondContact O-N 3.36Å
324R78.9Confident81.9Confident81 Ų8139 Ų3931%0.30621%0.214SC..Hα-helixtrans-53-47.8-173.3-73.5177.5179.1-178.59.7112.9D316 A319 P320 A326 A327 Q328D316-R324 PolarHBondContact O-NE 2.97Å; D316-R324 WeakPolarHBondContact OD1-CD 3.45Å; D316-R324 IonicContact OD2-CZ 3.59Å; D316-R324 IonicContact OD2-NE 3.55Å; D316-R324 IonicContact OD2-NH1 2.71Å; D316-R324 PolarHBondContact OD2-NH1 2.83Å; A319-R324 HydrophobicContact CB-CG 4.13Å; P320-R324 PolarHBondContact O-N 3.21Å; R324-A326 PolarHBondContact O-N 3.01Å; R324-A327 PolarHBondContact O-N 3.26Å; R324-Q328 VanDerWaalsContact O-CG 3.3Å; R324-Q328 WeakPolarHBondContact O-CG 3.22Å; R324-Q328 PolarHBondContact O-N 2.82Å
325T71.9Confident82Confident125 Ų12539 Ų3977%0.76721%0.214SC*.Hα-helixtrans-61.3-43.5178.6-51.80000112.1M323 Q328 G329M323-T325 VanDerWaalsContact C-N 3.33Å; M323-T325 PolarHBondContact O-N 3.2Å; T325-Q328 PolarHBondContact O-N 3.09Å; T325-G329 PolarHBondContact O-N 3.09Å
326A76Confident81.9Confident22 Ų2242.7 Ų42.718%0.18223%0.231CC..Hα-helixtrans-64.7-41.4177.300000111.5A192 M323 R324 G329 L330A192-A326 HydrophobicContact CB-CB 4Å; M323-A326 PolarHBondContact O-N 3.03Å; R324-A326 PolarHBondContact O-N 3.01Å; A326-G329 PolarHBondContact O-N 2.89Å; A326-L330 WeakPolarHBondContact O-CB 3.3Å; A326-L330 PolarHBondContact O-N 3.26Å
327A84.3Confident82.3Confident1 Ų140 Ų401%0.00822%0.217CC..Hα-helixtrans-64.6-40.517700000112.3A192 L195 V315 A319 M323 R324 L330 I331A192-A327 HydrophobicContact CB-CB 4.11Å; L195-A327 HydrophobicContact CD1-CB 3.67Å; V315-A327 HydrophobicContact CG1-CB 3.59Å; A319-A327 HydrophobicContact CB-CB 3.83Å; M323-A327 PolarHBondContact O-N 3.36Å; R324-A327 PolarHBondContact O-N 3.26Å; A327-L330 PolarHBondContact O-N 3.26Å; A327-I331 WeakPolarHBondContact O-CG2 3.48Å; A327-I331 PolarHBondContact O-N 3.03Å
328Q84.6Confident82.8Confident43 Ų4339.3 Ų39.320%0.20121%0.214CC..Hα-helixtrans-64.5-39.7173.3-68.1-62.8-12.800112.1Y312 V315 R324 T325 I331 T332Y312-Q328 VanDerWaalsContact CD1-OE1 3.32Å; Y312-Q328 PolarHBondContact O-NE2 3.08Å; V315-Q328 HydrophobicContact CG1-CG 4.48Å; R324-Q328 VanDerWaalsContact O-CG 3.3Å; R324-Q328 WeakPolarHBondContact O-CG 3.22Å; R324-Q328 PolarHBondContact O-N 2.82Å; T325-Q328 PolarHBondContact O-N 3.09Å; Q328-I331 VanDerWaalsContact O-CG2 3.3Å; Q328-I331 WeakPolarHBondContact O-CG2 3.36Å; Q328-T332 VanDerWaalsContact O-CB 3.3Å; Q328-T332 WeakPolarHBondContact O-CB 3.39Å; Q328-T332 PolarHBondContact O-N 3.2Å; Q328-T332 VanDerWaalsContact O-N 3.13Å; Q328-T332 PolarHBondContact O-OG1 3.12Å
329G83Confident83.2Confident30 Ų3039 Ų3931%0.30921%0.213SC..Hα-helixtrans-60-48.5172.600000111.8T325 A326 T332 L333T325-G329 PolarHBondContact O-N 3.09Å; A326-G329 PolarHBondContact O-N 2.89Å; G329-T332 PolarHBondContact O-N 3.28Å; G329-L333 WeakPolarHBondContact O-CB 3.37Å; G329-L333 PolarHBondContact O-N 3.2Å
330L88.6Confident83.8Confident10 Ų1039.8 Ų39.85%0.05222%0.218CC..Hα-helixtrans-62.6-46.8-178.8-175.964.1000112.6A192 L193 F205 A326 A327 T332 L333 C334A192-L330 HydrophobicContact CB-CB 4.39Å; A192-L330 HydrophobicContact CB-CD2 3.99Å; L193-L330 HydrophobicContact CD2-CD1 4.15Å; L193-L330 HydrophobicContact CD2-CD2 4.14Å; F205-L330 HydrophobicContact CE2-CD2 4.24Å; F205-L330 HydrophobicContact CE2-CG 3.87Å; F205-L330 HydrophobicContact CZ-CG 4.18Å; A326-L330 WeakPolarHBondContact O-CB 3.3Å; A326-L330 PolarHBondContact O-N 3.26Å; A327-L330 PolarHBondContact O-N 3.26Å; L330-T332 VanDerWaalsContact C-N 3.32Å; L330-T332 PolarHBondContact O-N 2.94Å; L330-L333 PolarHBondContact O-N 2.83Å; L330-C334 VanDerWaalsContact O-CB 3.27Å; L330-C334 WeakPolarHBondContact O-CB 3.47Å; L330-C334 PolarHBondContact O-N 3.12Å
331I90.7Very high84.9Confident3 Ų340.9 Ų40.92%0.01522%0.223CC..Hα-helixtrans-66.2-35.8178.7-16866.3000111.7F204 F205 Y312 V315 A327 Q328 C334 C335F204-I331 HydrophobicContact CE1-CD1 4.05Å; F205-I331 HydrophobicContact CD2-CD1 3.68Å; F205-I331 HydrophobicContact CE2-CD1 4.1Å; Y312-I331 HydrophobicContact CD1-CG2 4.16Å; Y312-I331 HydrophobicContact CE1-CG2 4.07Å; V315-I331 HydrophobicContact CG1-CG2 4.47Å; V315-I331 HydrophobicContact CG2-CB 4.34Å; V315-I331 HydrophobicContact CG2-CG1 4.33Å; V315-I331 HydrophobicContact CG2-CG2 4.26Å; A327-I331 WeakPolarHBondContact O-CG2 3.48Å; A327-I331 PolarHBondContact O-N 3.03Å; Q328-I331 VanDerWaalsContact O-CG2 3.3Å; Q328-I331 WeakPolarHBondContact O-CG2 3.36Å; I331-C334 PolarHBondContact O-N 3.17Å; I331-C335 WeakPolarHBondContact O-CB 3.42Å; I331-C335 PolarHBondContact O-N 3.42Å; I331-C335 PolarHBondContact O-SG 3.2Å
332T88.2Confident86.4Confident47 Ų4739.6 Ų39.629%0.28821%0.212SC..Hα-helixtrans-69-46.4177.8-59.30000111.1Q328 G329 L330 C334 C335 Q336 G337Q328-T332 VanDerWaalsContact O-CB 3.3Å; Q328-T332 WeakPolarHBondContact O-CB 3.39Å; Q328-T332 PolarHBondContact O-N 3.2Å; Q328-T332 VanDerWaalsContact O-N 3.13Å; Q328-T332 PolarHBondContact O-OG1 3.12Å; G329-T332 PolarHBondContact O-N 3.28Å; L330-T332 VanDerWaalsContact C-N 3.32Å; L330-T332 PolarHBondContact O-N 2.94Å; T332-C334 VanDerWaalsContact C-N 3.27Å; T332-C334 PolarHBondContact O-N 2.89Å; T332-C335 PolarHBondContact O-N 2.74Å; T332-Q336 HydrophobicContact CG2-CB 4.31Å; T332-Q336 HydrophobicContact CG2-CG 4.25Å; T332-Q336 WeakPolarHBondContact O-CA 3.47Å; T332-Q336 WeakPolarHBondContact O-CB 3.43Å; T332-Q336 PolarHBondContact O-N 3.43Å; T332-G337 PolarHBondContact O-N 2.83Å
333L90.1Very high88.2Confident21 Ų2135 Ų3511%0.1119%0.191CC..Iπ-helixtrans-56.8-43.7174.2177.966.3000111.2I41 L188 G329 L330 G337 F338I41-L333 HydrophobicContact CB-CD1 4.29Å; I41-L333 HydrophobicContact CG1-CD1 4.19Å; I41-L333 HydrophobicContact CG2-CD1 4.13Å; L188-L333 HydrophobicContact CB-CD2 4.21Å; L188-L333 HydrophobicContact CD2-CD1 4.36Å; L188-L333 HydrophobicContact CD2-CD2 4.08Å; G329-L333 WeakPolarHBondContact O-CB 3.37Å; G329-L333 PolarHBondContact O-N 3.2Å; L330-L333 PolarHBondContact O-N 2.83Å; L333-G337 CarbonylContact O-C 3.39Å; L333-G337 WeakPolarHBondContact O-CA 3.48Å; L333-G337 PolarHBondContact O-N 3.22Å; L333-F338 HydrophobicContact CD1-CE2 4.21Å; L333-F338 HydrophobicContact CD2-CE2 4.46Å; L333-F338 HydrophobicContact CG-CD2 4.34Å; L333-F338 HydrophobicContact CG-CE2 4.12Å; L333-F338 PolarHBondContact O-N 3.4Å; L333-F338 VanDerWaalsContact O-N 3.08Å
334C92.8Very high89.5Confident14 Ų1434.5 Ų34.510%0.09519%0.187CC..Iπ-helixtrans-67.3-51.8179.9-1660000112F205 F209 L330 I331 T332 F338 G339F205-C334 HydrophobicContact CE1-CB 4.26Å; F205-C334 WeakPolarHBondContact CE1-SG 3.42Å; F205-C334 HydrophobicContact CE2-CB 3.78Å; F205-C334 HydrophobicContact CZ-CB 3.46Å; F205-C334 VanDerWaalsContact CZ-CB 3.46Å; F205-C334 WeakPolarHBondContact CZ-SG 3.41Å; F209-C334 WeakPolarHBondContact CD2-O 3.13Å; F209-C334 WeakPolarHBondContact CD2-SG 3.36Å; L330-C334 VanDerWaalsContact O-CB 3.27Å; L330-C334 WeakPolarHBondContact O-CB 3.47Å; L330-C334 PolarHBondContact O-N 3.12Å; I331-C334 PolarHBondContact O-N 3.17Å; T332-C334 VanDerWaalsContact C-N 3.27Å; T332-C334 PolarHBondContact O-N 2.89Å; C334-F338 PolarHBondContact O-N 3.5Å; C334-G339 PolarHBondContact O-N 2.77Å
335C93.9Very high90.3Very high2 Ų235.6 Ų35.61%0.01419%0.192CC..Iπ-helixtrans-79.4-58.1-174.5-60.60000112.4A212 Y308 I331 T332 S340A212-C335 HydrophobicContact CB-CB 4.31Å; A212-C335 WeakPolarHBondContact CB-O 3.4Å; Y308-C335 HydrophobicContact CE1-CB 3.93Å; I331-C335 WeakPolarHBondContact O-CB 3.42Å; I331-C335 PolarHBondContact O-N 3.42Å; I331-C335 PolarHBondContact O-SG 3.2Å; T332-C335 PolarHBondContact O-N 2.74Å; C335-S340 PolarHBondContact O-N 3.22Å; C335-S340 PolarHBondContact O-OG 3.22Å
336Q89.7Confident91.4Very high77 Ų7732.2 Ų32.236%0.3617%0.169SC..Iπ-helixtrans-77-24.8-175.2-61.3-172.61300112.7Y312 T332 S340Y312-Q336 PolarHBondContact OH-NE2 3.48Å; T332-Q336 HydrophobicContact CG2-CB 4.31Å; T332-Q336 HydrophobicContact CG2-CG 4.25Å; T332-Q336 WeakPolarHBondContact O-CA 3.47Å; T332-Q336 WeakPolarHBondContact O-CB 3.43Å; T332-Q336 PolarHBondContact O-N 3.43Å; Q336-S340 WeakPolarHBondContact O-CB 3.3Å
337G92.7Very high92.3Very high0 Ų031.1 Ų31.10%016%0.16CC..Iπ-helixtrans-86.7-93172.800000111.8I41 T332 L333 G339 L341I41-G337 VanDerWaalsContact CG1-CA 3.47Å; T332-G337 PolarHBondContact O-N 2.83Å; L333-G337 CarbonylContact O-C 3.39Å; L333-G337 WeakPolarHBondContact O-CA 3.48Å; L333-G337 PolarHBondContact O-N 3.22Å; G337-G339 PolarHBondContact O-N 2.87Å; G337-L341 VanDerWaalsContact O-CB 3.27Å; G337-L341 WeakPolarHBondContact O-CB 3.5Å; G337-L341 PolarHBondContact O-N 3.1Å
338F95.2Very high92.8Very high99 Ų9931.1 Ų31.143%0.43416%0.16SC..Iπ-helixtrans-62.6-42.4-170.1-69.4-69.8000113.8I41 F209 L333 C334 L341 L342I41-F338 HydrophobicContact CD1-CD1 3.99Å; I41-F338 HydrophobicContact CD1-CE1 4.04Å; I41-F338 HydrophobicContact CD1-CG 4.34Å; I41-F338 HydrophobicContact CD1-CZ 4.43Å; I41-F338 HydrophobicContact CG2-CZ 4.41Å; F209-F338 HydrophobicContact CE2-CB 3.96Å; L333-F338 HydrophobicContact CD1-CE2 4.21Å; L333-F338 HydrophobicContact CD2-CE2 4.46Å; L333-F338 HydrophobicContact CG-CD2 4.34Å; L333-F338 HydrophobicContact CG-CE2 4.12Å; L333-F338 PolarHBondContact O-N 3.4Å; L333-F338 VanDerWaalsContact O-N 3.08Å; C334-F338 PolarHBondContact O-N 3.5Å; F338-L341 PolarHBondContact O-N 2.98Å; F338-L342 WeakPolarHBondContact O-CB 3.36Å; F338-L342 WeakPolarHBondContact O-CG 3.4Å; F338-L342 PolarHBondContact O-N 2.92Å
339G95.8Very high93.3Very high0 Ų030.5 Ų30.50%016%0.159CC..Iπ-helixtrans-63.2-51.8-179.200000112C334 G337 L341 L342 G343C334-G339 PolarHBondContact O-N 2.77Å; G337-G339 PolarHBondContact O-N 2.87Å; G339-L341 PolarHBondContact O-N 3.15Å; G339-L342 PolarHBondContact O-N 3.45Å; G339-G343 PolarHBondContact O-N 3.33Å
340S95.4Very high93.8Very high16 Ų1631 Ų3111%0.11215%0.154CC..Hα-helixtrans-61.9-40.8174.3-65.80000112.6C335 Q336 L342 G343 Y344C335-S340 PolarHBondContact O-N 3.22Å; C335-S340 PolarHBondContact O-OG 3.22Å; Q336-S340 WeakPolarHBondContact O-CB 3.3Å; S340-L342 PolarHBondContact O-N 3Å; S340-G343 CarbonylContact O-C 3.48Å; S340-G343 PolarHBondContact O-N 3.36Å; S340-Y344 WeakPolarHBondContact O-CB 3.41Å; S340-Y344 WeakPolarHBondContact O-CD2 3.4Å; S340-Y344 PolarHBondContact O-N 3.5Å
341L96.8Very high94.1Very high39 Ų3930.6 Ų30.620%0.20415%0.151CC..Hα-helixtrans-59-47.8177.1175.957.5000111.7A34 A37 I38 I41 G337 F338 G339 G343 Y344 R345A34-L341 HydrophobicContact CB-CD1 3.74Å; A37-L341 HydrophobicContact CB-CB 3.85Å; I38-L341 HydrophobicContact CD1-CD1 4.32Å; I38-L341 HydrophobicContact CG1-CD1 3.92Å; I38-L341 HydrophobicContact CG1-CD2 4.35Å; I41-L341 HydrophobicContact CD1-CD2 4.09Å; G337-L341 VanDerWaalsContact O-CB 3.27Å; G337-L341 WeakPolarHBondContact O-CB 3.5Å; G337-L341 PolarHBondContact O-N 3.1Å; F338-L341 PolarHBondContact O-N 2.98Å; G339-L341 PolarHBondContact O-N 3.15Å; L341-G343 VanDerWaalsContact C-N 3.34Å; L341-Y344 PolarHBondContact O-N 2.74Å; L341-R345 WeakPolarHBondContact O-CB 3.08Å; L341-R345 PolarHBondContact O-N 3.34Å
342L96.8Very high94.2Very high85 Ų8534.3 Ų34.345%0.44517%0.169SC..Hα-helixtrans-63.2-41.5175.2-78.3161.6000111.3F209 M213 F338 G339 S340 R345 L346F209-L342 HydrophobicContact CE2-CD1 4.09Å; F209-L342 HydrophobicContact CZ-CD1 3.55Å; M213-L342 HydrophobicContact CE-CB 4.06Å; M213-L342 HydrophobicContact CE-CD1 3.98Å; M213-L342 HydrophobicContact CG-CB 4.46Å; M213-L342 HydrophobicContact SD-CB 4.41Å; F338-L342 WeakPolarHBondContact O-CB 3.36Å; F338-L342 WeakPolarHBondContact O-CG 3.4Å; F338-L342 PolarHBondContact O-N 2.92Å; G339-L342 PolarHBondContact O-N 3.45Å; S340-L342 PolarHBondContact O-N 3Å; L342-R345 PolarHBondContact O-N 3.49Å; L342-L346 WeakPolarHBondContact O-CB 3.22Å; L342-L346 PolarHBondContact O-N 2.92Å
343G96.9Very high94.4Very high0 Ų039.6 Ų39.60%019%0.188CC..Hα-helixtrans-59.9-49.3175.200000113F217 G339 S340 L341 R345 L346 G347F217-G343 WeakPolarHBondContact CD1-O 3.47Å; F217-G343 WeakPolarHBondContact CE1-O 3.39Å; G339-G343 PolarHBondContact O-N 3.33Å; S340-G343 CarbonylContact O-C 3.48Å; S340-G343 PolarHBondContact O-N 3.36Å; L341-G343 VanDerWaalsContact C-N 3.34Å; G343-R345 VanDerWaalsContact C-N 3.32Å; G343-R345 PolarHBondContact O-N 3.45Å; G343-L346 PolarHBondContact O-N 3.46Å; G343-G347 PolarHBondContact O-N 3.34Å
344Y97Very high94.6Very high9 Ų944.6 Ų44.64%0.03521%0.212CC..Hα-helixtrans-62.9-40.7179.2-65.5-40.6000112.3A34 A37 A216 I220 S340 L341 G348A34-Y344 HydrophobicContact CB-CD2 4.33Å; A37-Y344 HydrophobicContact CB-CD2 4.11Å; A37-Y344 HydrophobicContact CB-CE2 4.09Å; A216-Y344 HydrophobicContact CB-CD1 3.49Å; A216-Y344 VanDerWaalsContact CB-CD1 3.49Å; A216-Y344 HydrophobicContact CB-CE1 3.51Å; A216-Y344 HydrophobicContact CB-CG 4.16Å; I220-Y344 HydrophobicContact CD1-CD1 3.29Å; I220-Y344 HydrophobicContact CD1-CE1 4.19Å; I220-Y344 HydrophobicContact CD1-CG 3.99Å; I220-Y344 HydrophobicContact CG1-CD1 3.43Å; I220-Y344 VanDerWaalsContact CG1-CD1 3.43Å; I220-Y344 HydrophobicContact CG1-CE1 3.81Å; I220-Y344 HydrophobicContact CG1-CG 4.46Å; S340-Y344 WeakPolarHBondContact O-CB 3.41Å; S340-Y344 WeakPolarHBondContact O-CD2 3.4Å; S340-Y344 PolarHBondContact O-N 3.5Å; L341-Y344 PolarHBondContact O-N 2.74Å; Y344-G348 PolarHBondContact O-N 2.83Å; Y344-G348 VanDerWaalsContact O-N 3.09Å
345R95.6Very high94.7Very high104 Ų10445.4 Ų45.439%0.39221%0.214SC..Hα-helixtrans-67.8-48.9176.7-178.557.8-179.9146.31.2112.1L341 L342 G343 G348 V349L341-R345 WeakPolarHBondContact O-CB 3.08Å; L341-R345 PolarHBondContact O-N 3.34Å; L342-R345 PolarHBondContact O-N 3.49Å; G343-R345 VanDerWaalsContact C-N 3.32Å; G343-R345 PolarHBondContact O-N 3.45Å; R345-G348 PolarHBondContact O-N 3.36Å; R345-V349 VanDerWaalsContact CZ-CG2 3.42Å; R345-V349 VanDerWaalsContact NH1-CG2 3.29Å; R345-V349 VanDerWaalsContact O-CG2 3.29Å; R345-V349 WeakPolarHBondContact O-CG2 3.44Å; R345-V349 PolarHBondContact O-N 3.08Å
346L95.9Very high94.6Very high54 Ų5447.4 Ų47.428%0.28323%0.231SC..Hα-helixtrans-61.9-46.2180177.561.2000110.7F217 L342 G343 V349 M350 F374 M378F217-L346 HydrophobicContact CE1-CB 4.27Å; F217-L346 HydrophobicContact CE1-CD2 4.43Å; F217-L346 HydrophobicContact CE1-CG 4.29Å; F217-L346 HydrophobicContact CZ-CB 4.47Å; F217-L346 HydrophobicContact CZ-CD2 3.89Å; F217-L346 HydrophobicContact CZ-CG 4Å; L342-L346 WeakPolarHBondContact O-CB 3.22Å; L342-L346 PolarHBondContact O-N 2.92Å; G343-L346 PolarHBondContact O-N 3.46Å; L346-V349 PolarHBondContact O-N 2.64Å; L346-M350 HydrophobicContact CD1-CE 4.43Å; L346-M350 HydrophobicContact CD1-CG 3.8Å; L346-M350 HydrophobicContact CD1-SD 4.43Å; L346-M350 HydrophobicContact CG-CG 4.22Å; L346-M350 WeakPolarHBondContact O-CB 3.37Å; L346-M350 VanDerWaalsContact O-CG 3.27Å; L346-M350 WeakPolarHBondContact O-CG 3.44Å; L346-M350 PolarHBondContact O-N 3.09Å; L346-F374 HydrophobicContact CD2-CE1 4.31Å; L346-F374 HydrophobicContact CD2-CZ 4.45Å; L346-F374 HydrophobicContact CG-CE1 4.48Å; L346-M378 HydrophobicContact CD2-CE 4.23Å; L346-M378 HydrophobicContact CD2-SD 4.44Å
347G94.6Very high94.7Very high0 Ų047.6 Ų47.60%023%0.229CC..Hα-helixtrans-58.2-51.1178.500000111.6F217 F221 G343 V349 M350 M351F217-G347 VanDerWaalsContact CE1-CA 3.5Å; F221-G347 VanDerWaalsContact CZ-C 3.46Å; F221-G347 WeakPolarHBondContact CZ-O 3.43Å; G343-G347 PolarHBondContact O-N 3.34Å; G347-V349 PolarHBondContact O-N 3.2Å; G347-M350 PolarHBondContact O-N 3.08Å; G347-M351 VanDerWaalsContact O-CB 3.27Å; G347-M351 WeakPolarHBondContact O-CB 3.39Å; G347-M351 PolarHBondContact O-N 3.18Å
348G94.7Very high94.3Very high1 Ų157.4 Ų57.41%0.0128%0.275CS..Hα-helixtrans-58.6-44177.400000113A26 Y344 R345 E352A26-G348 WeakPolarHBondContact O-CA 3.47Å; Y344-G348 PolarHBondContact O-N 2.83Å; Y344-G348 VanDerWaalsContact O-N 3.09Å; R345-G348 PolarHBondContact O-N 3.36Å; G348-E352 VanDerWaalsContact O-CB 3.31Å; G348-E352 WeakPolarHBondContact O-CB 3.39Å; G348-E352 PolarHBondContact O-N 3.25Å
349V95.1Very high93.8Very high30 Ų3060.1 Ų60.118%0.18229%0.289CS..Hα-helixtrans-67.2-44.8178.9172.70000112.3R345 L346 G347 M351 E352 K353R345-V349 VanDerWaalsContact CZ-CG2 3.42Å; R345-V349 VanDerWaalsContact NH1-CG2 3.29Å; R345-V349 VanDerWaalsContact O-CG2 3.29Å; R345-V349 WeakPolarHBondContact O-CG2 3.44Å; R345-V349 PolarHBondContact O-N 3.08Å; L346-V349 PolarHBondContact O-N 2.64Å; G347-V349 PolarHBondContact O-N 3.2Å; V349-M351 VanDerWaalsContact C-N 3.32Å; V349-E352 PolarHBondContact O-N 3.04Å; V349-K353 HydrophobicContact CG1-CD 4.12Å; V349-K353 HydrophobicContact CG1-CG 4.41Å; V349-K353 WeakPolarHBondContact O-CB 3.36Å; V349-K353 PolarHBondContact O-N 3.44Å
350M94.4Very high93.4Very high41 Ų4164.4 Ų64.420%0.20232%0.316CS..Hα-helixtrans-63-43.4177.9-70.5-63.595.100110.7L346 G347 M354 F355 M371 F374L346-M350 HydrophobicContact CD1-CE 4.43Å; L346-M350 HydrophobicContact CD1-CG 3.8Å; L346-M350 HydrophobicContact CD1-SD 4.43Å; L346-M350 HydrophobicContact CG-CG 4.22Å; L346-M350 WeakPolarHBondContact O-CB 3.37Å; L346-M350 VanDerWaalsContact O-CG 3.27Å; L346-M350 WeakPolarHBondContact O-CG 3.44Å; L346-M350 PolarHBondContact O-N 3.09Å; G347-M350 PolarHBondContact O-N 3.08Å; M350-M354 HydrophobicContact CE-CG 4.04Å; M350-M354 WeakPolarHBondContact O-CA 3.29Å; M350-M354 VanDerWaalsContact O-CB 3.29Å; M350-M354 WeakPolarHBondContact O-CB 3.43Å; M350-M354 PolarHBondContact O-N 3.24Å; M350-M354 HydrophobicContact SD-CG 4.04Å; M350-F355 HydrophobicContact CB-CD2 4.21Å; M350-F355 HydrophobicContact CB-CE2 4.14Å; M350-F355 WeakPolarHBondContact O-CD2 3.39Å; M350-F355 PolarHBondContact O-N 2.84Å; M350-M371 HydrophobicContact CB-SD 4.31Å; M350-F374 HydrophobicContact CG-CD1 4.49Å; M350-F374 HydrophobicContact CG-CE1 4.01Å; M350-F374 HydrophobicContact CG-CZ 4.35Å; M350-F374 HydrophobicContact SD-CZ 4.41Å
351M94.2Very high92.9Very high0 Ų066.6 Ų66.60%033%0.329CS..Hα-helixtrans-63.6-44.8178.8-168.359.5138.300112.2A26 F221 G347 V349 F355 A356 F366 W368 M371A26-M351 HydrophobicContact CB-CB 3.87Å; A26-M351 HydrophobicContact CB-CG 3.79Å; F221-M351 HydrophobicContact CD1-CE 4.1Å; F221-M351 HydrophobicContact CD1-CG 4.46Å; F221-M351 HydrophobicContact CE1-CB 3.84Å; F221-M351 HydrophobicContact CE1-CE 4.29Å; F221-M351 HydrophobicContact CE1-CG 3.75Å; F221-M351 HydrophobicContact CZ-CB 3.7Å; F221-M351 HydrophobicContact CZ-CG 4.14Å; G347-M351 VanDerWaalsContact O-CB 3.27Å; G347-M351 WeakPolarHBondContact O-CB 3.39Å; G347-M351 PolarHBondContact O-N 3.18Å; V349-M351 VanDerWaalsContact C-N 3.32Å; M351-F355 CarbonylContact O-C 3.53Å; M351-F355 HydrophobicContact SD-CB 3.95Å; M351-A356 WeakPolarHBondContact O-CB 3.48Å; M351-A356 PolarHBondContact O-N 3.18Å; M351-F366 HydrophobicContact CE-CB 3.43Å; M351-F366 VanDerWaalsContact CE-CB 3.43Å; M351-F366 HydrophobicContact CE-CD1 3.91Å; M351-F366 HydrophobicContact CE-CD2 3.81Å; M351-F366 HydrophobicContact CE-CG 3.44Å; M351-F366 VanDerWaalsContact CE-CG 3.44Å; M351-F366 HydrophobicContact CG-CD1 3.61Å; M351-F366 HydrophobicContact CG-CE1 3.79Å; M351-F366 HydrophobicContact CG-CG 4.13Å; M351-F366 HydrophobicContact CG-CZ 4.42Å; M351-F366 HydrophobicContact SD-CB 3.73Å; M351-F366 HydrophobicContact SD-CD1 3.57Å; M351-F366 VanDerWaalsContact SD-CD1 3.57Å; M351-F366 HydrophobicContact SD-CE1 4.36Å; M351-F366 HydrophobicContact SD-CG 3.7Å; M351-W368 HydrophobicContact CE-CD2 3.94Å; M351-W368 HydrophobicContact CE-CE3 3.36Å; M351-W368 HydrophobicContact CE-CH2 3.26Å; M351-W368 HydrophobicContact CE-CZ2 3.83Å; M351-W368 HydrophobicContact CE-CZ3 2.98Å; M351-M371 HydrophobicContact SD-CB 4.34Å; M351-M371 HydrophobicContact SD-CG 4.35Å
352E92.6Very high92.2Very high82 Ų8272.3 Ų72.338%0.38336%0.36SS..Hα-helixtrans-70.9-44.7-179.4-168.4-175.8142.100113.2A26 G27 G348 V349 A356A26-E352 HydrophobicContact CB-CB 4.1Å; G27-E352 WeakPolarHBondContact CA-OE2 3.38Å; G27-E352 PolarHBondContact N-OE2 2.98Å; G348-E352 VanDerWaalsContact O-CB 3.31Å; G348-E352 WeakPolarHBondContact O-CB 3.39Å; G348-E352 PolarHBondContact O-N 3.25Å; V349-E352 PolarHBondContact O-N 3.04Å; E352-A356 WeakPolarHBondContact O-CB 3.39Å
353K92.7Very high91.5Very high157 Ų15771.1 Ų71.168%0.68337%0.368SS*.Hα-helixtrans-96-27.2-169-62.7-164.9176.5-169.70114.7V349V349-K353 HydrophobicContact CG1-CD 4.12Å; V349-K353 HydrophobicContact CG1-CG 4.41Å; V349-K353 WeakPolarHBondContact O-CB 3.36Å; V349-K353 PolarHBondContact O-N 3.44Å
354M93.4Very high91Very high127 Ų12773.1 Ų73.163%0.62638%0.379SS*.THydrogen-bonded Turntrans-113.2-34.8-173.2-64-64.3-58.800112.8M350M350-M354 HydrophobicContact CE-CG 4.04Å; M350-M354 WeakPolarHBondContact O-CA 3.29Å; M350-M354 VanDerWaalsContact O-CB 3.29Å; M350-M354 WeakPolarHBondContact O-CB 3.43Å; M350-M354 PolarHBondContact O-N 3.24Å; M350-M354 HydrophobicContact SD-CG 4.04Å
355F95Very high90.7Very high30 Ų3075.3 Ų75.313%0.13239%0.393CS..SBendtrans-114.40.8-172.2-58.5-61.5000114.5M350 M351 F366 N367 G370 M371 F374M350-F355 HydrophobicContact CB-CD2 4.21Å; M350-F355 HydrophobicContact CB-CE2 4.14Å; M350-F355 WeakPolarHBondContact O-CD2 3.39Å; M350-F355 PolarHBondContact O-N 2.84Å; M351-F355 CarbonylContact O-C 3.53Å; M351-F355 HydrophobicContact SD-CB 3.95Å; F355-F366 CarbonylContact O-C 3.45Å; F355-F366 WeakPolarHBondContact O-CA 3.5Å; F355-N367 HydrophobicContact CB-CB 4.2Å; F355-N367 HydrophobicContact CD1-CB 4.25Å; F355-N367 PolarHBondContact O-N 3.48Å; F355-G370 WeakPolarHBondContact CZ-O 3.36Å; F355-M371 HydrophobicContact CD2-CB 3.94Å; F355-M371 HydrophobicContact CD2-CG 4.47Å; F355-M371 HydrophobicContact CD2-SD 3.81Å; F355-M371 HydrophobicContact CE2-CB 4.36Å; F355-M371 HydrophobicContact CE2-SD 3.93Å; F355-M371 HydrophobicContact CG-CB 4.24Å; F355-F374 HydrophobicContact CE2-CB 4.15Å; F355-F374 HydrophobicContact CZ-CB 4.01Å
356A92.5Very high90.6Very high44 Ų4471.5 Ų71.536%0.36438%0.379SS..EExtended strand (participates in β ladder)trans-76.7132.817100000110.6M351 E352 F366M351-A356 WeakPolarHBondContact O-CB 3.48Å; M351-A356 PolarHBondContact O-N 3.18Å; E352-A356 WeakPolarHBondContact O-CB 3.39Å; A356-F366 HydrophobicContact CB-CD1 3.88Å; A356-F366 HydrophobicContact CB-CE1 3.83Å
357Y91.3Very high90.5Very high82 Ų8271 Ų7132%0.32238%0.377SS..EExtended strand (participates in β ladder)trans-80.3146.2168.6-64.1-59.2000110.4E359 V361 L364 T365 F366 N367Y357-E359 VanDerWaalsContact C-N 3.32Å; Y357-E359 VanDerWaalsContact CB-O 3.22Å; Y357-E359 WeakPolarHBondContact CB-O 3.36Å; Y357-V361 HydrophobicContact CD1-CG2 3.88Å; Y357-V361 HydrophobicContact CD2-CB 4.07Å; Y357-V361 HydrophobicContact CD2-CG2 4.1Å; Y357-V361 HydrophobicContact CE1-CG2 4.19Å; Y357-V361 HydrophobicContact CE2-CB 4.03Å; Y357-V361 HydrophobicContact CE2-CG2 4.37Å; Y357-V361 HydrophobicContact CG-CB 4.33Å; Y357-V361 HydrophobicContact CG-CG2 3.84Å; Y357-L364 WeakPolarHBondContact CD2-O 3.39Å; Y357-L364 HydrophobicContact CE2-CB 4.46Å; Y357-T365 PolarHBondContact N-O 3.15Å; Y357-F366 WeakPolarHBondContact CE2-O 3.49Å; Y357-N367 HydrophobicContact CE1-CB 4Å; Y357-N367 HydrophobicContact CE2-CB 4.11Å; Y357-N367 WeakPolarHBondContact OH-CB 3.28Å
358Q84.5Confident90.5Very high205 Ų20571.2 Ų71.296%0.95838%0.378SS*.EExtended strand (participates in β ladder)trans-66-38.5173.8-72.7-173.9-23.700111.6
359E85.4Confident90.4Very high156 Ų15673.7 Ų73.773%0.72940%0.395SS*.EExtended strand (participates in β ladder)trans-132.1145.5170.5-64.5-169.9172.900108.7Y357 V361Y357-E359 VanDerWaalsContact C-N 3.32Å; Y357-E359 VanDerWaalsContact CB-O 3.22Å; Y357-E359 WeakPolarHBondContact CB-O 3.36Å; E359-V361 PolarHBondContact O-N 3.49Å
360P85.8Confident90.4Very high90 Ų9073 Ų7358%0.58439%0.393SS*.EExtended strand (participates in β ladder)trans-56126.8-177.8-25.834.2000112.8L364 T365P360-L364 CarbonylContact C-O 3.58Å; P360-L364 WeakPolarHBondContact CA-O 3.28Å; P360-T365 HydrophobicContact CG-CG2 4.47Å
361V85.1Confident90.4Very high63 Ų6371 Ų7138%0.38238%0.384SS..EExtended strand (participates in β ladder)trans-103.7122.4178.6-179.30000108.5Y357 E359 G363 L364Y357-V361 HydrophobicContact CD1-CG2 3.88Å; Y357-V361 HydrophobicContact CD2-CB 4.07Å; Y357-V361 HydrophobicContact CD2-CG2 4.1Å; Y357-V361 HydrophobicContact CE1-CG2 4.19Å; Y357-V361 HydrophobicContact CE2-CB 4.03Å; Y357-V361 HydrophobicContact CE2-CG2 4.37Å; Y357-V361 HydrophobicContact CG-CB 4.33Å; Y357-V361 HydrophobicContact CG-CG2 3.84Å; E359-V361 PolarHBondContact O-N 3.49Å; V361-G363 PolarHBondContact O-N 2.86Å; V361-L364 PolarHBondContact N-O 3.34Å; V361-L364 WeakPolarHBondContact O-CB 3.2Å; V361-L364 PolarHBondContact O-N 3.48Å
362N83.3Confident90.6Very high158 Ų15871 Ų7185%0.84538%0.384SS*.THydrogen-bonded Turntrans54.432.7-176.3-57.8-31.5000113.8L364N362-L364 PolarHBondContact O-N 3.31Å
363G81.4Confident90.8Very high60 Ų6070 Ų7062%0.61938%0.383SS*.THydrogen-bonded Turntrans80.4-3.9-176.100000114.7V361V361-G363 PolarHBondContact O-N 2.86Å
364L87.3Confident91Very high43 Ų4365.6 Ų65.623%0.22536%0.364CS..EExtended strand (participates in β ladder)trans-92.1130.1176.9-53.9176.9000110.6E228 V229 Y357 P360 V361 N362E228-L364 HydrophobicContact CB-CD2 4.37Å; E228-L364 HydrophobicContact CG-CD2 3.87Å; E228-L364 VanDerWaalsContact OE1-C 3.31Å; E228-L364 WeakPolarHBondContact OE1-CA 3.1Å; V229-L364 HydrophobicContact CG1-CD2 4.3Å; Y357-L364 WeakPolarHBondContact CD2-O 3.39Å; Y357-L364 HydrophobicContact CE2-CB 4.46Å; P360-L364 CarbonylContact C-O 3.58Å; P360-L364 WeakPolarHBondContact CA-O 3.28Å; V361-L364 PolarHBondContact N-O 3.34Å; V361-L364 WeakPolarHBondContact O-CB 3.2Å; V361-L364 PolarHBondContact O-N 3.48Å; N362-L364 PolarHBondContact O-N 3.31Å
365T89.6Confident91.1Very high54 Ų5459.6 Ų59.633%0.33133%0.334SS..EExtended strand (participates in β ladder)trans-79.2-28172.8640000112.4E228 Y357 P360E228-T365 VanDerWaalsContact CD-OG1 3.28Å; E228-T365 PolarHBondContact OE1-N 3.18Å; E228-T365 PolarHBondContact OE1-OG1 3.26Å; E228-T365 PolarHBondContact OE2-OG1 3.08Å; Y357-T365 PolarHBondContact N-O 3.15Å; P360-T365 HydrophobicContact CG-CG2 4.47Å
366F93.4Very high91.2Very high24 Ų2458.9 Ų58.911%0.10533%0.334CS..EExtended strand (participates in β ladder)trans-125.1151.6179.7-58.1-80000112.6W16 A26 E228 M351 F355 A356 Y357 W368W16-F366 HydrophobicContact CZ2-CE2 4.26Å; A26-F366 HydrophobicContact CB-CE1 4.18Å; A26-F366 HydrophobicContact CB-CZ 4.21Å; E228-F366 PolarHBondContact OE1-N 3.49Å; M351-F366 HydrophobicContact CE-CB 3.43Å; M351-F366 VanDerWaalsContact CE-CB 3.43Å; M351-F366 HydrophobicContact CE-CD1 3.91Å; M351-F366 HydrophobicContact CE-CD2 3.81Å; M351-F366 HydrophobicContact CE-CG 3.44Å; M351-F366 VanDerWaalsContact CE-CG 3.44Å; M351-F366 HydrophobicContact CG-CD1 3.61Å; M351-F366 HydrophobicContact CG-CE1 3.79Å; M351-F366 HydrophobicContact CG-CG 4.13Å; M351-F366 HydrophobicContact CG-CZ 4.42Å; M351-F366 HydrophobicContact SD-CB 3.73Å; M351-F366 HydrophobicContact SD-CD1 3.57Å; M351-F366 VanDerWaalsContact SD-CD1 3.57Å; M351-F366 HydrophobicContact SD-CE1 4.36Å; M351-F366 HydrophobicContact SD-CG 3.7Å; F355-F366 CarbonylContact O-C 3.45Å; F355-F366 WeakPolarHBondContact O-CA 3.5Å; A356-F366 HydrophobicContact CB-CD1 3.88Å; A356-F366 HydrophobicContact CB-CE1 3.83Å; Y357-F366 WeakPolarHBondContact CE2-O 3.49Å; F366-W368 HydrophobicContact CB-CD2 4.34Å; F366-W368 HydrophobicContact CB-CZ2 4.31Å; F366-W368 HydrophobicContact CD2-CH2 4.32Å; F366-W368 AromaticContact CD2-CZ2 3.8Å; F366-W368 HydrophobicContact CD2-CZ2 3.8Å; F366-W368 HydrophobicContact CG-CZ2 4.46Å; F366-W368 VanDerWaalsContact O-CD1 3.24Å; F366-W368 PolarHBondContact O-N 2.96Å
367N94.2Very high91.4Very high44 Ų4460.6 Ų60.624%0.23534%0.34CS..  trans-75.675.5166-174.80.3000110.2F355 Y357 S369 G370 M371F355-N367 HydrophobicContact CB-CB 4.2Å; F355-N367 HydrophobicContact CD1-CB 4.25Å; F355-N367 PolarHBondContact O-N 3.48Å; Y357-N367 HydrophobicContact CE1-CB 4Å; Y357-N367 HydrophobicContact CE2-CB 4.11Å; Y357-N367 WeakPolarHBondContact OH-CB 3.28Å; N367-S369 VanDerWaalsContact C-N 3.32Å; N367-S369 PolarHBondContact O-N 3.11Å; N367-S369 PolarHBondContact OD1-OG 3.39Å; N367-G370 PolarHBondContact O-N 3.37Å; N367-G370 PolarHBondContact OD1-N 3.04Å; N367-M371 PolarHBondContact O-N 3.21Å; N367-M371 VanDerWaalsContact O-N 3.1Å
368W94.1Very high91.6Very high5 Ų558.2 Ų58.22%0.01933%0.332CS..Hα-helixtrans-58.3-41.3179.8-66.2107.3000113.1F221 Y225 E228 M351 F366 G370 M371 W372F221-W368 HydrophobicContact CB-CZ3 3.89Å; F221-W368 HydrophobicContact CD1-CH2 4.43Å; F221-W368 HydrophobicContact CD1-CZ3 4.15Å; F221-W368 HydrophobicContact CG-CZ3 4.28Å; Y225-W368 HydrophobicContact CD2-CB 3.62Å; Y225-W368 AromaticContact CD2-CD2 3.76Å; Y225-W368 HydrophobicContact CD2-CD2 3.76Å; Y225-W368 HydrophobicContact CD2-CE3 4.05Å; Y225-W368 AromaticContact CD2-CG 3.57Å; Y225-W368 HydrophobicContact CD2-CG 3.57Å; Y225-W368 HydrophobicContact CE2-CB 3.94Å; Y225-W368 HydrophobicContact CE2-CG 4.31Å; Y225-W368 HydrophobicContact CG-CD2 4.28Å; Y225-W368 HydrophobicContact CG-CE3 4.2Å; E228-W368 PolarHBondContact OE1-NE1 2.93Å; E228-W368 WeakPolarHBondContact OE2-CZ2 3.01Å; E228-W368 PolarHBondContact OE2-NE1 2.85Å; M351-W368 HydrophobicContact CE-CD2 3.94Å; M351-W368 HydrophobicContact CE-CE3 3.36Å; M351-W368 HydrophobicContact CE-CH2 3.26Å; M351-W368 HydrophobicContact CE-CZ2 3.83Å; M351-W368 HydrophobicContact CE-CZ3 2.98Å; F366-W368 HydrophobicContact CB-CD2 4.34Å; F366-W368 HydrophobicContact CB-CZ2 4.31Å; F366-W368 HydrophobicContact CD2-CH2 4.32Å; F366-W368 AromaticContact CD2-CZ2 3.8Å; F366-W368 HydrophobicContact CD2-CZ2 3.8Å; F366-W368 HydrophobicContact CG-CZ2 4.46Å; F366-W368 VanDerWaalsContact O-CD1 3.24Å; F366-W368 PolarHBondContact O-N 2.96Å; W368-G370 VanDerWaalsContact C-N 3.29Å; W368-G370 PolarHBondContact O-N 2.91Å; W368-M371 PolarHBondContact O-N 3.26Å; W368-W372 HydrophobicContact CE3-CZ2 4.46Å; W368-W372 PolarHBondContact O-N 3.45Å
369S93.5Very high92.3Very high53 Ų5348.5 Ų48.537%0.37129%0.287SS..Hα-helixtrans-61.8-39.8178.262.40000111.3N367 T373N367-S369 VanDerWaalsContact C-N 3.32Å; N367-S369 PolarHBondContact O-N 3.11Å; N367-S369 PolarHBondContact OD1-OG 3.39Å; S369-T373 VanDerWaalsContact O-CB 3.26Å; S369-T373 WeakPolarHBondContact O-CB 3.3Å; S369-T373 PolarHBondContact O-N 3.06Å; S369-T373 PolarHBondContact O-OG1 3.35Å
370G95Very high92.8Very high14 Ų1443.2 Ų43.214%0.14427%0.27CS..Hα-helixtrans-60.2-47.7172.300000112.9F355 N367 W368 T373 F374F355-G370 WeakPolarHBondContact CZ-O 3.36Å; N367-G370 PolarHBondContact O-N 3.37Å; N367-G370 PolarHBondContact OD1-N 3.04Å; W368-G370 VanDerWaalsContact C-N 3.29Å; W368-G370 PolarHBondContact O-N 2.91Å; G370-T373 PolarHBondContact O-N 3.26Å; G370-F374 PolarHBondContact O-N 3.22Å
371M95.1Very high93.3Very high0 Ų043.6 Ų43.60%027%0.266CS..Hα-helixtrans-64.1-44.9179.6-177.658-166.700112.5F217 F221 M350 M351 F355 N367 W368 T373 F374 G375F217-M371 HydrophobicContact CB-CE 3.92Å; F217-M371 HydrophobicContact CD1-CE 3.99Å; F217-M371 HydrophobicContact CD2-CE 3.39Å; F217-M371 HydrophobicContact CE1-CE 4.36Å; F217-M371 HydrophobicContact CE2-CE 3.81Å; F217-M371 HydrophobicContact CG-CE 3.49Å; F217-M371 VanDerWaalsContact CG-CE 3.49Å; F217-M371 HydrophobicContact CZ-CE 4.28Å; F221-M371 HydrophobicContact CD2-CE 3.77Å; F221-M371 HydrophobicContact CE2-CE 3.52Å; F221-M371 HydrophobicContact CZ-CE 4.49Å; M350-M371 HydrophobicContact CB-SD 4.31Å; M351-M371 HydrophobicContact SD-CB 4.34Å; M351-M371 HydrophobicContact SD-CG 4.35Å; F355-M371 HydrophobicContact CD2-CB 3.94Å; F355-M371 HydrophobicContact CD2-CG 4.47Å; F355-M371 HydrophobicContact CD2-SD 3.81Å; F355-M371 HydrophobicContact CE2-CB 4.36Å; F355-M371 HydrophobicContact CE2-SD 3.93Å; F355-M371 HydrophobicContact CG-CB 4.24Å; N367-M371 PolarHBondContact O-N 3.21Å; N367-M371 VanDerWaalsContact O-N 3.1Å; W368-M371 PolarHBondContact O-N 3.26Å; M371-T373 VanDerWaalsContact C-N 3.33Å; M371-T373 PolarHBondContact O-N 3.24Å; M371-F374 PolarHBondContact O-N 3.34Å; M371-G375 PolarHBondContact O-N 2.88Å
372W97Very high93.9Very high1 Ų140.9 Ų40.90%0.00425%0.249CC..Hα-helixtrans-67.6-34.3176.6-62129.5000112.2F221 A222 Y225 Y276 F279 I280 W368 G375 A376F221-W372 HydrophobicContact CB-CH2 3.76Å; F221-W372 HydrophobicContact CB-CZ2 4.15Å; A222-W372 HydrophobicContact CB-CH2 4.5Å; Y225-W372 AromaticContact CD1-CE2 3.99Å; Y225-W372 AromaticContact CD1-CZ2 3.87Å; Y225-W372 HydrophobicContact CD1-CZ2 3.87Å; Y225-W372 AromaticContact CD1-NE1 3.62Å; Y225-W372 AromaticContact CD2-NE1 3.31Å; Y225-W372 VanDerWaalsContact CD2-NE1 3.31Å; Y225-W372 AromaticContact CE1-NE1 3.88Å; Y225-W372 AromaticContact CE2-NE1 3.54Å; Y225-W372 AromaticContact CG-CE2 3.87Å; Y225-W372 AromaticContact CG-CZ2 3.8Å; Y225-W372 HydrophobicContact CG-CZ2 3.8Å; Y225-W372 AromaticContact CG-NE1 3.33Å; Y225-W372 VanDerWaalsContact CG-NE1 3.33Å; Y225-W372 AromaticContact CZ-NE1 3.84Å; Y276-W372 AromaticContact CD1-CE3 3.83Å; Y276-W372 HydrophobicContact CD1-CE3 3.83Å; Y276-W372 HydrophobicContact CD1-CZ3 4.19Å; Y276-W372 HydrophobicContact CD2-CE3 4.38Å; Y276-W372 AromaticContact CE1-CE3 3.61Å; Y276-W372 HydrophobicContact CE1-CE3 3.61Å; Y276-W372 AromaticContact CE1-CZ3 3.52Å; Y276-W372 HydrophobicContact CE1-CZ3 3.52Å; Y276-W372 HydrophobicContact CE2-CE3 4.2Å; Y276-W372 HydrophobicContact CE2-CZ3 4.46Å; Y276-W372 HydrophobicContact CG-CE3 4.19Å; Y276-W372 AromaticContact CZ-CE3 3.77Å; Y276-W372 AromaticContact CZ-CZ3 3.65Å; F279-W372 HydrophobicContact CB-CB 4.32Å; F279-W372 HydrophobicContact CB-CD2 3.98Å; F279-W372 HydrophobicContact CB-CG 3.73Å; F279-W372 HydrophobicContact CD2-CD2 4.16Å; F279-W372 HydrophobicContact CD2-CE3 4.29Å; F279-W372 HydrophobicContact CD2-CH2 4.36Å; F279-W372 HydrophobicContact CD2-CZ2 4.2Å; F279-W372 HydrophobicContact CD2-CZ3 4.41Å; I280-W372 HydrophobicContact CG1-CB 3.72Å; W368-W372 HydrophobicContact CE3-CZ2 4.46Å; W368-W372 PolarHBondContact O-N 3.45Å; W372-G375 PolarHBondContact O-N 3.44Å; W372-A376 VanDerWaalsContact O-CB 3.32Å; W372-A376 WeakPolarHBondContact O-CB 3.02Å; W372-A376 PolarHBondContact O-N 3.2Å
373T97.3Very high94.6Very high59 Ų5933.9 Ų33.936%0.36221%0.213SC..Hα-helixtrans-62.6-45.7172.4-59.40000111.2I280 S369 G370 M371 G375 A376 V377I280-T373 WeakPolarHBondContact CD1-OG1 3.36Å; S369-T373 VanDerWaalsContact O-CB 3.26Å; S369-T373 WeakPolarHBondContact O-CB 3.3Å; S369-T373 PolarHBondContact O-N 3.06Å; S369-T373 PolarHBondContact O-OG1 3.35Å; G370-T373 PolarHBondContact O-N 3.26Å; M371-T373 VanDerWaalsContact C-N 3.33Å; M371-T373 PolarHBondContact O-N 3.24Å; T373-G375 PolarHBondContact O-N 3.48Å; T373-A376 PolarHBondContact O-N 3.4Å; T373-A376 VanDerWaalsContact O-N 3.15Å; T373-V377 HydrophobicContact CG2-CG2 4.41Å; T373-V377 WeakPolarHBondContact O-CG2 3.37Å; T373-V377 PolarHBondContact O-N 3.13Å
374F96.3Very high95.3Very high66 Ų6634.7 Ų34.729%0.28921%0.206SC..Hα-helixtrans-58.1-48.2176.4178.2-106.1000111.4F217 L346 M350 F355 G370 M371 A376 V377 M378F217-F374 AromaticContact CE2-CD1 3.79Å; F217-F374 HydrophobicContact CE2-CD1 3.79Å; F217-F374 AromaticContact CE2-CE1 3.82Å; F217-F374 HydrophobicContact CE2-CE1 3.82Å; F217-F374 HydrophobicContact CZ-CD1 4.32Å; F217-F374 AromaticContact CZ-CE1 3.92Å; F217-F374 HydrophobicContact CZ-CE1 3.92Å; L346-F374 HydrophobicContact CD2-CE1 4.31Å; L346-F374 HydrophobicContact CD2-CZ 4.45Å; L346-F374 HydrophobicContact CG-CE1 4.48Å; M350-F374 HydrophobicContact CG-CD1 4.49Å; M350-F374 HydrophobicContact CG-CE1 4.01Å; M350-F374 HydrophobicContact CG-CZ 4.35Å; M350-F374 HydrophobicContact SD-CZ 4.41Å; F355-F374 HydrophobicContact CE2-CB 4.15Å; F355-F374 HydrophobicContact CZ-CB 4.01Å; G370-F374 PolarHBondContact O-N 3.22Å; M371-F374 PolarHBondContact O-N 3.34Å; F374-A376 VanDerWaalsContact C-N 3.34Å; F374-A376 PolarHBondContact O-N 3.02Å; F374-V377 PolarHBondContact O-N 3.06Å; F374-M378 HydrophobicContact CD1-SD 4.02Å; F374-M378 HydrophobicContact CE1-CG 4.42Å; F374-M378 HydrophobicContact CE1-SD 3.43Å; F374-M378 WeakPolarHBondContact CE1-SD 3.49Å; F374-M378 HydrophobicContact CZ-CG 4.37Å; F374-M378 HydrophobicContact CZ-SD 3.74Å; F374-M378 WeakPolarHBondContact O-CG 3.37Å; F374-M378 PolarHBondContact O-N 3.15Å; F374-M378 VanDerWaalsContact O-N 3.07Å
375G96Very high95.7Very high0 Ų035.3 Ų35.30%021%0.21CC..Hα-helixtrans-60-40.8174.200000113.2Y276 M371 W372 T373 M378 I379Y276-G375 VanDerWaalsContact CD2-C 3.49Å; M371-G375 PolarHBondContact O-N 2.88Å; W372-G375 PolarHBondContact O-N 3.44Å; T373-G375 PolarHBondContact O-N 3.48Å; G375-M378 WeakPolarHBondContact O-CB 3.43Å; G375-M378 PolarHBondContact O-N 3.01Å; G375-I379 WeakPolarHBondContact O-CG1 3.28Å; G375-I379 PolarHBondContact O-N 3.33Å
376A96.7Very high95.9Very high16 Ų1632.8 Ų32.813%0.13219%0.194CC..Hα-helixtrans-67.2-41.8-177.600000111.2I280 W372 T373 F374 I379 A380I280-A376 HydrophobicContact CD1-CB 4.37Å; W372-A376 VanDerWaalsContact O-CB 3.32Å; W372-A376 WeakPolarHBondContact O-CB 3.02Å; W372-A376 PolarHBondContact O-N 3.2Å; T373-A376 PolarHBondContact O-N 3.4Å; T373-A376 VanDerWaalsContact O-N 3.15Å; F374-A376 VanDerWaalsContact C-N 3.34Å; F374-A376 PolarHBondContact O-N 3.02Å; A376-I379 PolarHBondContact O-N 3.42Å; A376-A380 WeakPolarHBondContact O-CB 3.17Å; A376-A380 PolarHBondContact O-N 3.04Å
377V96.6Very high96Very high79 Ų7936.8 Ų36.848%0.47921%0.214SC..Hα-helixtrans-63-42.4175.2171.60000110.8T373 F374 I379 A380 I381T373-V377 HydrophobicContact CG2-CG2 4.41Å; T373-V377 WeakPolarHBondContact O-CG2 3.37Å; T373-V377 PolarHBondContact O-N 3.13Å; F374-V377 PolarHBondContact O-N 3.06Å; V377-I379 PolarHBondContact O-N 3.32Å; V377-A380 PolarHBondContact O-N 3.46Å; V377-I381 HydrophobicContact CG1-CD1 3.89Å; V377-I381 HydrophobicContact CG1-CG1 4.46Å; V377-I381 WeakPolarHBondContact O-CG1 3.43Å; V377-I381 PolarHBondContact O-N 3.08Å
378M96.8Very high95.9Very high33 Ų3339.1 Ų39.116%0.16323%0.226CC..Hα-helixtrans-57.5-49.1174.4-73-179.768.200111.6M213 F217 L346 F374 G375 A380 I381 I382M213-M378 HydrophobicContact CB-CE 4.09Å; M213-M378 HydrophobicContact SD-CE 4.44Å; F217-M378 HydrophobicContact CE2-SD 3.72Å; F217-M378 HydrophobicContact CZ-CE 4.49Å; F217-M378 HydrophobicContact CZ-SD 3.94Å; L346-M378 HydrophobicContact CD2-CE 4.23Å; L346-M378 HydrophobicContact CD2-SD 4.44Å; F374-M378 HydrophobicContact CD1-SD 4.02Å; F374-M378 HydrophobicContact CE1-CG 4.42Å; F374-M378 HydrophobicContact CE1-SD 3.43Å; F374-M378 WeakPolarHBondContact CE1-SD 3.49Å; F374-M378 HydrophobicContact CZ-CG 4.37Å; F374-M378 HydrophobicContact CZ-SD 3.74Å; F374-M378 WeakPolarHBondContact O-CG 3.37Å; F374-M378 PolarHBondContact O-N 3.15Å; F374-M378 VanDerWaalsContact O-N 3.07Å; G375-M378 WeakPolarHBondContact O-CB 3.43Å; G375-M378 PolarHBondContact O-N 3.01Å; M378-A380 VanDerWaalsContact C-N 3.33Å; M378-A380 PolarHBondContact O-N 3.23Å; M378-I381 PolarHBondContact O-N 2.87Å; M378-I382 WeakPolarHBondContact O-CD1 3.4Å; M378-I382 VanDerWaalsContact O-CG1 3.23Å; M378-I382 WeakPolarHBondContact O-CG1 3.44Å; M378-I382 PolarHBondContact O-N 3.42Å
379I97.6Very high95.9Very high0 Ų044.5 Ų44.50%025%0.249CC..Hα-helixtrans-63.5-40.2179.2-61.6165.5000110.9F211 P214 L269 A272 A273 Y276 G375 A376 V377 I381 I382 A383F211-I379 HydrophobicContact CD2-CG1 4.33Å; F211-I379 HydrophobicContact CE2-CD1 4.35Å; F211-I379 HydrophobicContact CE2-CG1 4.17Å; F211-I379 HydrophobicContact CE2-CG2 4.23Å; P214-I379 HydrophobicContact CB-CD1 3.96Å; P214-I379 HydrophobicContact CB-CG1 3.72Å; P214-I379 HydrophobicContact CG-CD1 4.27Å; P214-I379 HydrophobicContact CG-CG1 3.6Å; L269-I379 HydrophobicContact CB-CG2 4.43Å; L269-I379 WeakPolarHBondContact O-CG2 3.45Å; A272-I379 HydrophobicContact CB-CD1 3.98Å; A272-I379 HydrophobicContact CB-CG2 4.18Å; A273-I379 HydrophobicContact CB-CB 4.24Å; A273-I379 HydrophobicContact CB-CG2 3.87Å; Y276-I379 HydrophobicContact CD2-CD1 3.77Å; Y276-I379 HydrophobicContact CE2-CD1 3.87Å; Y276-I379 HydrophobicContact CG-CD1 4.46Å; G375-I379 WeakPolarHBondContact O-CG1 3.28Å; G375-I379 PolarHBondContact O-N 3.33Å; A376-I379 PolarHBondContact O-N 3.42Å; V377-I379 PolarHBondContact O-N 3.32Å; I379-I381 PolarHBondContact O-N 3.04Å; I379-I382 PolarHBondContact O-N 2.72Å; I379-A383 WeakPolarHBondContact O-CB 3.2Å; I379-A383 PolarHBondContact O-N 3.39Å
380A96.6Very high95.8Very high46 Ų4642 Ų4238%0.3823%0.232SC..Hα-helixtrans-62.2-42.8177.300000112.1A376 V377 M378 A383 V384A376-A380 WeakPolarHBondContact O-CB 3.17Å; A376-A380 PolarHBondContact O-N 3.04Å; V377-A380 PolarHBondContact O-N 3.46Å; M378-A380 VanDerWaalsContact C-N 3.33Å; M378-A380 PolarHBondContact O-N 3.23Å; A380-A383 PolarHBondContact O-N 2.79Å; A380-V384 WeakPolarHBondContact O-CG2 3.39Å; A380-V384 PolarHBondContact O-N 3.46Å
381I97.2Very high95.3Very high97 Ų9749.6 Ų49.650%0.49726%0.256SS..Hα-helixtrans-61.6-46.3174.7-67.7166.2000110.2V377 M378 I379 A383 V384 L385V377-I381 HydrophobicContact CG1-CD1 3.89Å; V377-I381 HydrophobicContact CG1-CG1 4.46Å; V377-I381 WeakPolarHBondContact O-CG1 3.43Å; V377-I381 PolarHBondContact O-N 3.08Å; M378-I381 PolarHBondContact O-N 2.87Å; I379-I381 PolarHBondContact O-N 3.04Å; I381-A383 VanDerWaalsContact C-N 3.31Å; I381-A383 PolarHBondContact O-N 3.43Å; I381-V384 PolarHBondContact O-N 3.02Å; I381-L385 HydrophobicContact CG2-CD1 4.06Å; I381-L385 HydrophobicContact CG2-CG 4.38Å; I381-L385 WeakPolarHBondContact O-CG 3.39Å; I381-L385 PolarHBondContact O-N 2.84Å
382I97.4Very high94.6Very high6 Ų650.3 Ų50.33%0.03126%0.259CS..Hα-helixtrans-60.5-42.4177.7-63.5160.3000110.6C207 L210 F211 P214 L269 M378 I379 V384 L385 F386C207-I382 HydrophobicContact CB-CG2 4.05Å; L210-I382 HydrophobicContact CB-CD1 3.74Å; L210-I382 HydrophobicContact CB-CG1 3.89Å; L210-I382 HydrophobicContact CD1-CG1 4.29Å; F211-I382 HydrophobicContact CB-CD1 4.49Å; P214-I382 HydrophobicContact CG-CD1 4.46Å; L269-I382 HydrophobicContact CD1-CG2 4.16Å; L269-I382 HydrophobicContact CD2-CG2 4.17Å; M378-I382 WeakPolarHBondContact O-CD1 3.4Å; M378-I382 VanDerWaalsContact O-CG1 3.23Å; M378-I382 WeakPolarHBondContact O-CG1 3.44Å; M378-I382 PolarHBondContact O-N 3.42Å; I379-I382 PolarHBondContact O-N 2.72Å; I382-V384 PolarHBondContact O-N 3.31Å; I382-L385 PolarHBondContact O-N 3.44Å; I382-F386 VanDerWaalsContact O-CB 3.28Å; I382-F386 WeakPolarHBondContact O-CB 3.32Å; I382-F386 PolarHBondContact O-N 2.84Å
383A96.8Very high93.2Very high11 Ų1153.2 Ų53.29%0.09128%0.28CS..Hα-helixtrans-63.1-40.6177.500000112.5L266 L269 I379 A380 I381 F386 M387L266-A383 HydrophobicContact CD1-CB 4.24Å; L269-A383 HydrophobicContact CB-CB 4.01Å; L269-A383 HydrophobicContact CD1-CB 4.21Å; I379-A383 WeakPolarHBondContact O-CB 3.2Å; I379-A383 PolarHBondContact O-N 3.39Å; A380-A383 PolarHBondContact O-N 2.79Å; I381-A383 VanDerWaalsContact C-N 3.31Å; I381-A383 PolarHBondContact O-N 3.43Å; A383-F386 PolarHBondContact O-N 2.87Å; A383-M387 VanDerWaalsContact O-CB 3.24Å; A383-M387 WeakPolarHBondContact O-CB 3.48Å; A383-M387 PolarHBondContact O-N 3.06Å
384V96.3Very high91.7Very high78 Ų7853.1 Ų53.147%0.47328%0.277SS..Hα-helixtrans-66-46.6175.7170.70000110.9A380 I381 I382 F386 M387 I388A380-V384 WeakPolarHBondContact O-CG2 3.39Å; A380-V384 PolarHBondContact O-N 3.46Å; I381-V384 PolarHBondContact O-N 3.02Å; I382-V384 PolarHBondContact O-N 3.31Å; V384-F386 VanDerWaalsContact C-N 3.34Å; V384-F386 PolarHBondContact O-N 3.4Å; V384-M387 PolarHBondContact O-N 2.7Å; V384-I388 HydrophobicContact CG1-CD1 3.63Å; V384-I388 HydrophobicContact CG1-CG1 4.44Å; V384-I388 VanDerWaalsContact O-CG1 3.28Å; V384-I388 WeakPolarHBondContact O-CG1 3.31Å; V384-I388 PolarHBondContact O-N 2.89Å
385L95.3Very high89.9Confident56 Ų5657.5 Ų57.529%0.29330%0.304SS..Hα-helixtrans-58.9-46.6175.8-69174.9000111.1I381 I382 M387 I388 F389I381-L385 HydrophobicContact CG2-CD1 4.06Å; I381-L385 HydrophobicContact CG2-CG 4.38Å; I381-L385 WeakPolarHBondContact O-CG 3.39Å; I381-L385 PolarHBondContact O-N 2.84Å; I382-L385 PolarHBondContact O-N 3.44Å; L385-M387 PolarHBondContact O-N 2.67Å; L385-I388 PolarHBondContact O-N 3.32Å; L385-F389 HydrophobicContact CB-CD2 4.46Å; L385-F389 HydrophobicContact CD2-CD2 4.14Å; L385-F389 HydrophobicContact CD2-CE2 3.75Å; L385-F389 WeakPolarHBondContact O-CB 3.31Å; L385-F389 VanDerWaalsContact O-CD2 3.28Å; L385-F389 WeakPolarHBondContact O-CD2 3.47Å; L385-F389 PolarHBondContact O-N 2.95Å
386F95.3Very high88.4Confident1 Ų164.6 Ų64.60%0.00434%0.337CS..Hα-helixtrans-61.6-44.7177.6-169.2-95.5000111.4F204 C207 L265 L266 L269 I382 A383 V384 I388 F390F204-F386 HydrophobicContact CB-CE2 4.48Å; F204-F386 HydrophobicContact CD2-CE2 4.41Å; C207-F386 HydrophobicContact CB-CD2 3.84Å; L265-F386 HydrophobicContact CB-CE1 3.91Å; L265-F386 HydrophobicContact CB-CZ 3.82Å; L265-F386 HydrophobicContact CD1-CZ 3.75Å; L265-F386 HydrophobicContact CG-CZ 4.43Å; L266-F386 HydrophobicContact CB-CD1 4.48Å; L266-F386 HydrophobicContact CD1-CD1 4.4Å; L269-F386 HydrophobicContact CD1-CB 4Å; L269-F386 HydrophobicContact CD1-CD1 4.44Å; L269-F386 HydrophobicContact CD1-CG 4.19Å; I382-F386 VanDerWaalsContact O-CB 3.28Å; I382-F386 WeakPolarHBondContact O-CB 3.32Å; I382-F386 PolarHBondContact O-N 2.84Å; A383-F386 PolarHBondContact O-N 2.87Å; V384-F386 VanDerWaalsContact C-N 3.34Å; V384-F386 PolarHBondContact O-N 3.4Å; F386-I388 PolarHBondContact O-N 3.49Å; F386-F390 HydrophobicContact CD1-CB 4.35Å; F386-F390 HydrophobicContact CD2-CB 4.05Å; F386-F390 HydrophobicContact CD2-CG 4.3Å; F386-F390 HydrophobicContact CE1-CB 4.25Å; F386-F390 AromaticContact CE1-CD1 3.69Å; F386-F390 HydrophobicContact CE1-CD1 3.69Å; F386-F390 HydrophobicContact CE1-CE1 4.31Å; F386-F390 HydrophobicContact CE1-CG 4.13Å; F386-F390 HydrophobicContact CE2-CB 3.95Å; F386-F390 AromaticContact CE2-CD1 3.94Å; F386-F390 HydrophobicContact CE2-CD1 3.94Å; F386-F390 AromaticContact CE2-CD2 4Å; F386-F390 HydrophobicContact CE2-CD2 4Å; F386-F390 HydrophobicContact CE2-CE1 4.42Å; F386-F390 HydrophobicContact CE2-CE2 4.5Å; F386-F390 AromaticContact CE2-CG 3.69Å; F386-F390 HydrophobicContact CE2-CG 3.69Å; F386-F390 HydrophobicContact CG-CB 4.25Å; F386-F390 HydrophobicContact CZ-CB 4.05Å; F386-F390 AromaticContact CZ-CD1 3.31Å; F386-F390 HydrophobicContact CZ-CD1 3.31Å; F386-F390 HydrophobicContact CZ-CD2 4.19Å; F386-F390 AromaticContact CZ-CE1 3.69Å; F386-F390 HydrophobicContact CZ-CE1 3.69Å; F386-F390 AromaticContact CZ-CG 3.59Å; F386-F390 HydrophobicContact CZ-CG 3.59Å; F386-F390 HydrophobicContact CZ-CZ 4.27Å; F386-F390 WeakPolarHBondContact O-CB 3.49Å; F386-F390 PolarHBondContact O-N 3.43Å
387M94.1Very high87.2Confident107 Ų10765.7 Ų65.753%0.52734%0.34SS..Hα-helixtrans-61-41.3179-174.1-172.1-6700112.8L266 A383 V384 L385L266-M387 HydrophobicContact CD1-CB 4.39Å; L266-M387 HydrophobicContact CD1-CE 4.32Å; L266-M387 HydrophobicContact CD2-CE 3.89Å; L266-M387 HydrophobicContact CD2-CG 4.49Å; A383-M387 VanDerWaalsContact O-CB 3.24Å; A383-M387 WeakPolarHBondContact O-CB 3.48Å; A383-M387 PolarHBondContact O-N 3.06Å; V384-M387 PolarHBondContact O-N 2.7Å; L385-M387 PolarHBondContact O-N 2.67Å
388I93.4Very high86Confident93 Ų9366.3 Ų66.348%0.47734%0.344SS..Hα-helixtrans-76.1-47.2-176.7-66.7169.5000111.6V384 L385 F386V384-I388 HydrophobicContact CG1-CD1 3.63Å; V384-I388 HydrophobicContact CG1-CG1 4.44Å; V384-I388 VanDerWaalsContact O-CG1 3.28Å; V384-I388 WeakPolarHBondContact O-CG1 3.31Å; V384-I388 PolarHBondContact O-N 2.89Å; L385-I388 PolarHBondContact O-N 3.32Å; F386-I388 PolarHBondContact O-N 3.49Å
389F93.5Very high84.9Confident118 Ų11867 Ų6752%0.51836%0.355SS..Hα-helixtrans-97.9-24.3-166.7-64.7-68.9000114.2V203 L385 R391V203-F389 HydrophobicContact CB-CB 4.4Å; V203-F389 HydrophobicContact CG1-CB 3.72Å; V203-F389 HydrophobicContact CG2-CB 3.73Å; L385-F389 HydrophobicContact CB-CD2 4.46Å; L385-F389 HydrophobicContact CD2-CD2 4.14Å; L385-F389 HydrophobicContact CD2-CE2 3.75Å; L385-F389 WeakPolarHBondContact O-CB 3.31Å; L385-F389 VanDerWaalsContact O-CD2 3.28Å; L385-F389 WeakPolarHBondContact O-CD2 3.47Å; L385-F389 PolarHBondContact O-N 2.95Å; F389-R391 PolarHBondContact O-N 2.82Å
390F91.9Very high83.6Confident0 Ų068.6 Ų68.60%036%0.363CS..  trans-84.5105.5179.4-171.1-106.7000110.2N200 V203 F204 K262 Y314 F386 E392N200-F390 HydrophobicContact CB-CD2 4.3Å; N200-F390 HydrophobicContact CB-CE2 4.14Å; N200-F390 WeakPolarHBondContact O-CD2 3.48Å; N200-F390 WeakPolarHBondContact O-CE2 3.17Å; V203-F390 HydrophobicContact CG1-CB 3.99Å; F204-F390 HydrophobicContact CB-CD2 3.94Å; F204-F390 HydrophobicContact CB-CE2 3.62Å; K262-F390 HydrophobicContact CB-CD1 4.17Å; K262-F390 HydrophobicContact CB-CE1 3.94Å; K262-F390 HydrophobicContact CD-CD1 4.05Å; K262-F390 WeakPolarHBondContact CE-O 3.31Å; K262-F390 HydrophobicContact CG-CD1 3.89Å; K262-F390 HydrophobicContact CG-CE1 4.19Å; K262-F390 PolarHBondContact NZ-O 2.67Å; Y314-F390 HydrophobicContact CD2-CZ 4.46Å; Y314-F390 HydrophobicContact CE1-CE2 4.04Å; Y314-F390 HydrophobicContact CE1-CZ 4.16Å; Y314-F390 HydrophobicContact CE2-CE2 4.38Å; Y314-F390 AromaticContact CE2-CZ 3.85Å; Y314-F390 HydrophobicContact CE2-CZ 3.85Å; Y314-F390 AromaticContact CZ-CE2 3.72Å; Y314-F390 AromaticContact CZ-CZ 3.66Å; Y314-F390 WeakPolarHBondContact OH-CE2 3.5Å; F386-F390 HydrophobicContact CD1-CB 4.35Å; F386-F390 HydrophobicContact CD2-CB 4.05Å; F386-F390 HydrophobicContact CD2-CG 4.3Å; F386-F390 HydrophobicContact CE1-CB 4.25Å; F386-F390 AromaticContact CE1-CD1 3.69Å; F386-F390 HydrophobicContact CE1-CD1 3.69Å; F386-F390 HydrophobicContact CE1-CE1 4.31Å; F386-F390 HydrophobicContact CE1-CG 4.13Å; F386-F390 HydrophobicContact CE2-CB 3.95Å; F386-F390 AromaticContact CE2-CD1 3.94Å; F386-F390 HydrophobicContact CE2-CD1 3.94Å; F386-F390 AromaticContact CE2-CD2 4Å; F386-F390 HydrophobicContact CE2-CD2 4Å; F386-F390 HydrophobicContact CE2-CE1 4.42Å; F386-F390 HydrophobicContact CE2-CE2 4.5Å; F386-F390 AromaticContact CE2-CG 3.69Å; F386-F390 HydrophobicContact CE2-CG 3.69Å; F386-F390 HydrophobicContact CG-CB 4.25Å; F386-F390 HydrophobicContact CZ-CB 4.05Å; F386-F390 AromaticContact CZ-CD1 3.31Å; F386-F390 HydrophobicContact CZ-CD1 3.31Å; F386-F390 HydrophobicContact CZ-CD2 4.19Å; F386-F390 AromaticContact CZ-CE1 3.69Å; F386-F390 HydrophobicContact CZ-CE1 3.69Å; F386-F390 AromaticContact CZ-CG 3.59Å; F386-F390 HydrophobicContact CZ-CG 3.59Å; F386-F390 HydrophobicContact CZ-CZ 4.27Å; F386-F390 WeakPolarHBondContact O-CB 3.49Å; F386-F390 PolarHBondContact O-N 3.43Å; F390-E392 HydrophobicContact CD1-CB 4.25Å; F390-E392 HydrophobicContact CE1-CB 3.53Å; F390-E392 HydrophobicContact CE2-CB 4.13Å; F390-E392 HydrophobicContact CZ-CB 3.46Å; F390-E392 VanDerWaalsContact CZ-CB 3.46Å; F390-E392 HydrophobicContact CZ-CG 4.2Å
391R84.4Confident81.5Confident175 Ų17576.3 Ų76.366%0.6639%0.388SS*.  trans-110.526.8-173.4-65.5-168.9177.3-164-0113.9N200 F389N200-R391 WeakPolarHBondContact OD1-CA 3.32Å; N200-R391 PolarHBondContact OD1-N 3.16Å; F389-R391 PolarHBondContact O-N 2.82Å
392E80.6Confident79.3Confident14 Ų1473.5 Ų73.57%0.06538%0.376CS..  trans-65.6142.3176.1-16274.7-113.800112.2Y314 K318 F390Y314-E392 HydrophobicContact CE2-CG 3.91Å; Y314-E392 WeakPolarHBondContact CE2-OE2 3.45Å; Y314-E392 PolarHBondContact OH-OE2 3.21Å; K318-E392 WeakPolarHBondContact CD-OE2 3.46Å; K318-E392 WeakPolarHBondContact CE-OE2 3.42Å; K318-E392 VanDerWaalsContact NZ-CD 3.26Å; K318-E392 IonicContact NZ-OE1 3.49Å; K318-E392 PolarHBondContact NZ-OE1 3.1Å; K318-E392 IonicContact NZ-OE2 2.62Å; K318-E392 PolarHBondContact NZ-OE2 2.87Å; F390-E392 HydrophobicContact CD1-CB 4.25Å; F390-E392 HydrophobicContact CE1-CB 3.53Å; F390-E392 HydrophobicContact CE2-CB 4.13Å; F390-E392 HydrophobicContact CZ-CB 3.46Å; F390-E392 VanDerWaalsContact CZ-CB 3.46Å; F390-E392 HydrophobicContact CZ-CG 4.2Å
393S68.1Low76.6Confident62 Ų6277.9 Ų77.943%0.43440%0.399SS..  trans-71.9146.5179.799.50000112.3E396S393-E396 PolarHBondContact OG-N 3.25Å; S393-E396 PolarHBondContact OG-O 2.93Å
394D65.3Low73.9Confident58 Ų5879.1 Ų79.131%0.3140%0.404SS..SBendtrans-76.1-20.1-178.4-76.9-26000113.7G260 K263G260-D394 WeakPolarHBondContact CA-O 3.44Å; K263-D394 WeakPolarHBondContact CE-OD2 3.36Å; K263-D394 IonicContact NZ-OD2 3.74Å; K263-D394 PolarHBondContact NZ-OD2 3.24Å
395N58.9Low71.2Confident158 Ų15883.2 Ų83.285%0.84541%0.411SS*.SBendtrans-99.4-38.1-168-71.1-12.3000113.8
396E64.6Low68.5Low149 Ų14983.2 Ų83.270%0.69641%0.411SS*.  trans-143.6128.7179.2-70.1-175163.700111.6S393S393-E396 PolarHBondContact OG-N 3.25Å; S393-E396 PolarHBondContact OG-O 2.93Å
397I71.5Confident66.1Low38 Ų3884.5 Ų84.520%0.19542%0.418CS..  trans-91.8105.3172.2-61.7161.5000106.4I261 Y314 K317 K318I261-I397 HydrophobicContact CB-CD1 4.21Å; I261-I397 HydrophobicContact CD1-CD1 3.59Å; I261-I397 HydrophobicContact CG1-CD1 4.5Å; I261-I397 HydrophobicContact CG2-CD1 3.91Å; I261-I397 HydrophobicContact CG2-CG1 4.28Å; Y314-I397 HydrophobicContact CD2-CD1 4.1Å; Y314-I397 HydrophobicContact CD2-CG1 4.5Å; Y314-I397 HydrophobicContact CD2-CG2 4.42Å; Y314-I397 HydrophobicContact CE2-CG2 4.27Å; K317-I397 HydrophobicContact CB-CB 4.13Å; K317-I397 HydrophobicContact CB-CD1 4.05Å; K317-I397 HydrophobicContact CB-CG2 3.81Å; K317-I397 HydrophobicContact CD-CD1 3.69Å; K318-I397 HydrophobicContact CB-CG2 4.12Å; K318-I397 HydrophobicContact CD-CG2 3.73Å
398T70.6Confident64Low92 Ų9279.4 Ų79.456%0.56439%0.393SS*.  trans-80129.2174.147.20000109.9K318K318-T398 WeakPolarHBondContact CD-O 3.18Å; K318-T398 PolarHBondContact NZ-O 3Å; K318-T398 VanDerWaalsContact NZ-O 3.16Å
399A72.9Confident62.1Low48 Ų4875.6 Ų75.640%0.39737%0.374SS..  trans-61.8144173.300000110K318 K401K318-A399 WeakPolarHBondContact O-CA 3.15Å; A399-K401 PolarHBondContact O-N 3.25Å; A399-K401 VanDerWaalsContact O-N 3.12Å
400I72.2Confident60.7Low33 Ų3370.3 Ų70.317%0.16935%0.351CS..  trans-64.1115.5175-63.7163.8000107.4L195 D198 F201 K318 V402L195-I400 HydrophobicContact CB-CD1 4.08Å; L195-I400 HydrophobicContact CD2-CB 4.4Å; L195-I400 HydrophobicContact CD2-CD1 3.94Å; D198-I400 HydrophobicContact CB-CD1 3.54Å; D198-I400 HydrophobicContact CB-CG1 3.96Å; F201-I400 HydrophobicContact CB-CD1 4.3Å; F201-I400 HydrophobicContact CG-CD1 4.46Å; K318-I400 HydrophobicContact CG-CD1 4.08Å; K318-I400 HydrophobicContact CG-CG1 4.19Å; K318-I400 PolarHBondContact O-N 3.29Å; I400-V402 HydrophobicContact CG2-CG2 4.47Å; I400-V402 PolarHBondContact O-N 3.02Å
401K52Low60.2Low208 Ų20870.7 Ų70.790%0.90435%0.353SS*.  trans-65.6107.4173.2-73.4-171.8178.6-1750108.1A399A399-K401 PolarHBondContact O-N 3.25Å; A399-K401 VanDerWaalsContact O-N 3.12Å
402V50Low60.3Low39 Ų3962.4 Ų62.424%0.23632%0.322CS..  trans-98.4114.3160-175.60000103.3P320 I400 D404P320-V402 HydrophobicContact CG-CG2 4.12Å; I400-V402 HydrophobicContact CG2-CG2 4.47Å; I400-V402 PolarHBondContact O-N 3.02Å; V402-D404 PolarHBondContact O-N 3.45Å
403D40.7Very low61Low97 Ų9761.7 Ų61.752%0.51932%0.318SS..  trans-70.196.3-175.6-154.1-23.8000109.3R405D403-R405 VanDerWaalsContact C-N 3.26Å; D403-R405 PolarHBondContact O-N 2.86Å; D403-R405 PolarHBondContact OD1-N 3.25Å
404D41.4Very low62.2Low38 Ų3858.8 Ų58.820%0.20330%0.298CS..  trans-76.8-13.9-176.7-73.8-17.7000112.1H322 V402 I407 N699H322-D404 IonicContact CE1-OD1 2.85Å; H322-D404 PolarHBondContact CE1-OD1 3.4Å; H322-D404 IonicContact CE1-OD2 3.85Å; H322-D404 PolarHBondContact CE1-OD2 3.48Å; H322-D404 VanDerWaalsContact CE1-OD2 3.23Å; H322-D404 IonicContact ND1-OD2 2.97Å; H322-D404 PolarHBondContact ND1-OD2 3.13Å; H322-D404 IonicContact NE2-OD1 3.47Å; V402-D404 PolarHBondContact O-N 3.45Å; D404-I407 PolarHBondContact O-N 2.89Å; D404-N699 PolarHBondContact OD2-ND2 3.31Å
405R38.1Very low63.6Low164 Ų16456 Ų5662%0.61928%0.283SS*.SBendtrans-75.7-29.8-177.7-63.8-172.6-158.6-173.46.1112.3D403 I407D403-R405 VanDerWaalsContact C-N 3.26Å; D403-R405 PolarHBondContact O-N 2.86Å; D403-R405 PolarHBondContact OD1-N 3.25Å; R405-I407 PolarHBondContact O-N 2.96Å
406D39.1Very low65.4Low55 Ų5548.5 Ų48.529%0.29424%0.243SC..THydrogen-bonded Turntrans-66.6-20.4176.7-68.7-25.7000112.4A721 A725D406-A721 WeakPolarHBondContact O-CB 3.25Å; D406-A725 HydrophobicContact CB-CB 4.06Å; D406-A725 VanDerWaalsContact CG-CB 3.43Å; D406-A725 WeakPolarHBondContact OD2-CB 3.47Å
407I45.5Very low66.9Low28 Ų2841.4 Ų41.414%0.14421%0.21CC..THydrogen-bonded Turntrans-89.4-11.4-160.8-60178.4000114.3D404 R405 V698 N718 A721D404-I407 PolarHBondContact O-N 2.89Å; R405-I407 PolarHBondContact O-N 2.96Å; I407-V698 HydrophobicContact CB-CB 4.46Å; I407-V698 HydrophobicContact CB-CG1 4.05Å; I407-V698 HydrophobicContact CG2-CB 4.09Å; I407-V698 HydrophobicContact CG2-CG1 3.78Å; I407-V698 HydrophobicContact CG2-CG2 4.43Å; I407-N718 WeakPolarHBondContact CG2-OD1 3.45Å; I407-A721 HydrophobicContact CG1-CB 4.42Å
408A48.5Very low68.2Low1 Ų139.6 Ų39.61%0.00820%0.201CC..  trans-85.4-25-16000000117.1Q411 G412 G693 V698A408-Q411 PolarHBondContact O-N 2.79Å; A408-G412 PolarHBondContact O-N 3.29Å; A408-G693 WeakPolarHBondContact CB-O 3.35Å; A408-V698 HydrophobicContact CB-CB 4.26Å
409L54.5Low69.5Low12 Ų1235.2 Ų35.26%0.06317%0.174CC..Hα-helixtrans-75.8-44.8-147.4-146.9103.2000114.7Q411 G412 E413 S538 C542 I580 I584 A694L409-Q411 PolarHBondContact O-N 3.25Å; L409-G412 PolarHBondContact O-N 3.47Å; L409-E413 PolarHBondContact O-N 3.33Å; L409-S538 VanDerWaalsContact CD2-CB 3.41Å; L409-S538 VanDerWaalsContact CD2-O 3.22Å; L409-S538 WeakPolarHBondContact CD2-O 3.29Å; L409-C542 VanDerWaalsContact CD2-SG 3.58Å; L409-I580 HydrophobicContact CD1-CB 4.45Å; L409-I580 HydrophobicContact CD1-CG1 4.32Å; L409-I580 HydrophobicContact CD1-CG2 3.43Å; L409-I580 VanDerWaalsContact CD1-CG2 3.43Å; L409-I580 HydrophobicContact CD2-CD1 4.05Å; L409-I580 HydrophobicContact CD2-CG1 4.45Å; L409-I580 HydrophobicContact CD2-CG2 3.77Å; L409-I580 HydrophobicContact CG-CG2 4.24Å; L409-I584 HydrophobicContact CD1-CD1 4.43Å; L409-A694 HydrophobicContact CD1-CB 3.41Å; L409-A694 VanDerWaalsContact CD1-CB 3.41Å
410T64.6Low70.6Confident8 Ų833 Ų335%0.04916%0.155CC..Hα-helixtrans-71-21.3178.244.50000112.4A414 L467 F717T410-A414 WeakPolarHBondContact O-CB 3.39Å; T410-A414 PolarHBondContact O-N 3.42Å; T410-A414 VanDerWaalsContact O-N 3.11Å; T410-L467 HydrophobicContact CG2-CD2 4.18Å; T410-F717 HydrophobicContact CG2-CD1 4.34Å; T410-F717 WeakPolarHBondContact OG1-CB 3.19Å; T410-F717 WeakPolarHBondContact OG1-CD1 3.2Å
411Q80.1Confident71.8Confident8 Ų831.4 Ų31.44%0.03715%0.147CC..Hα-helixtrans-84.6-35.6174.1-81.4-179.3-20.100112.8A408 L409 A414 L415 I701 D710 F717A408-Q411 PolarHBondContact O-N 2.79Å; L409-Q411 PolarHBondContact O-N 3.25Å; Q411-A414 PolarHBondContact O-N 3.24Å; Q411-L415 VanDerWaalsContact O-CB 3.31Å; Q411-L415 WeakPolarHBondContact O-CB 3.27Å; Q411-L415 PolarHBondContact O-N 3.26Å; Q411-I701 HydrophobicContact CB-CD1 4Å; Q411-D710 PolarHBondContact NE2-OD1 3.05Å; Q411-D710 PolarHBondContact NE2-OD2 3.03Å; Q411-F717 HydrophobicContact CG-CB 3.94Å; Q411-F717 HydrophobicContact CG-CD1 4.39Å; Q411-F717 HydrophobicContact CG-CD2 3.23Å; Q411-F717 HydrophobicContact CG-CE2 3.63Å; Q411-F717 HydrophobicContact CG-CG 3.61Å; Q411-F717 HydrophobicContact CG-CZ 4.33Å
412G88.2Confident73.9Confident0 Ų021.5 Ų21.50%010%0.104CC..Hα-helixtrans-55.7-55.6168.700000109.5A408 L409 A414 L415 G416 T689A408-G412 PolarHBondContact O-N 3.29Å; L409-G412 PolarHBondContact O-N 3.47Å; G412-A414 PolarHBondContact O-N 3.21Å; G412-L415 VanDerWaalsContact O-CB 3.3Å; G412-L415 WeakPolarHBondContact O-CB 3.45Å; G412-L415 PolarHBondContact O-N 3.14Å; G412-L415 VanDerWaalsContact O-N 3.1Å; G412-G416 PolarHBondContact O-N 3.4Å; G412-T689 WeakPolarHBondContact O-CB 3.33Å; G412-T689 PolarHBondContact O-OG1 2.83Å
413E93.9Very high76.1Confident0 Ų019.6 Ų19.60%09%0.093CC..Hα-helixtrans-54.5-52.2176.3-168.1175.9137.900112.8L409 L415 G416 D417 T463 A466 S538 A686 A690L409-E413 PolarHBondContact O-N 3.33Å; E413-L415 PolarHBondContact O-N 3.17Å; E413-G416 PolarHBondContact O-N 2.91Å; E413-G416 VanDerWaalsContact O-N 3.14Å; E413-D417 VanDerWaalsContact O-CB 3.26Å; E413-D417 WeakPolarHBondContact O-CB 3.45Å; E413-D417 PolarHBondContact O-N 3.1Å; E413-T463 WeakPolarHBondContact OE1-CA 3.5Å; E413-A466 WeakPolarHBondContact OE1-CB 3.14Å; E413-S538 WeakPolarHBondContact OE2-CB 3.25Å; E413-S538 PolarHBondContact OE2-OG 3.19Å; E413-A686 HydrophobicContact CG-CB 3.68Å; E413-A690 HydrophobicContact CB-CB 4.02Å; E413-A690 HydrophobicContact CG-CB 4.49Å
414A93.5Very high78.7Confident1 Ų115.5 Ų15.51%0.0087%0.07CC..Hα-helixtrans-59.7-30179.400000113.2T410 Q411 G412 A418 F459 T463 L709 F717T410-A414 WeakPolarHBondContact O-CB 3.39Å; T410-A414 PolarHBondContact O-N 3.42Å; T410-A414 VanDerWaalsContact O-N 3.11Å; Q411-A414 PolarHBondContact O-N 3.24Å; G412-A414 PolarHBondContact O-N 3.21Å; A414-A418 WeakPolarHBondContact O-CB 3.49Å; A414-A418 PolarHBondContact O-N 3.46Å; A414-F459 HydrophobicContact CB-CD1 4.17Å; A414-T463 WeakPolarHBondContact CA-OG1 3.25Å; A414-T463 HydrophobicContact CB-CG2 4.06Å; A414-L709 HydrophobicContact CB-CD2 4.45Å; A414-F717 HydrophobicContact CB-CZ 4.07Å
415L95.2Very high81.2Confident0 Ų018 Ų180%08%0.083CC..Hα-helixtrans-66.8-49.8175.5171.571.5000111.4Q411 G412 E413 M419 F441 P667 A671 I701 L705 L709Q411-L415 VanDerWaalsContact O-CB 3.31Å; Q411-L415 WeakPolarHBondContact O-CB 3.27Å; Q411-L415 PolarHBondContact O-N 3.26Å; G412-L415 VanDerWaalsContact O-CB 3.3Å; G412-L415 WeakPolarHBondContact O-CB 3.45Å; G412-L415 PolarHBondContact O-N 3.14Å; G412-L415 VanDerWaalsContact O-N 3.1Å; E413-L415 PolarHBondContact O-N 3.17Å; L415-M419 HydrophobicContact CD1-CE 4.46Å; L415-M419 WeakPolarHBondContact O-CB 3.41Å; L415-M419 PolarHBondContact O-N 2.96Å; L415-M419 VanDerWaalsContact O-N 3.08Å; L415-F441 HydrophobicContact CD1-CE1 4.16Å; L415-F441 HydrophobicContact CD1-CZ 3.73Å; L415-P667 HydrophobicContact CD2-CB 4.16Å; L415-A671 HydrophobicContact CD1-CB 4.46Å; L415-A671 HydrophobicContact CD2-CB 4.2Å; L415-A671 HydrophobicContact CG-CB 3.86Å; L415-I701 HydrophobicContact CD1-CG2 4.34Å; L415-I701 HydrophobicContact CD2-CD1 4.42Å; L415-I701 HydrophobicContact CD2-CG1 4.13Å; L415-I701 HydrophobicContact CD2-CG2 3.85Å; L415-L705 HydrophobicContact CD1-CB 4.13Å; L415-L705 HydrophobicContact CD1-CD1 3.97Å; L415-L709 HydrophobicContact CB-CD1 3.94Å; L415-L709 HydrophobicContact CD1-CD1 4.09Å
416G96.6Very high83.9Confident0 Ų010.7 Ų10.70%06%0.055CC..Hα-helixtrans-68-42.1179.300000112.5G412 E413 G420 T689G412-G416 PolarHBondContact O-N 3.4Å; E413-G416 PolarHBondContact O-N 2.91Å; E413-G416 VanDerWaalsContact O-N 3.14Å; G416-G420 PolarHBondContact O-N 3.26Å; G416-T689 VanDerWaalsContact CA-OG1 3.25Å; G416-T689 WeakPolarHBondContact CA-OG1 3.41Å; G416-T689 PolarHBondContact N-OG1 2.62Å
417D96.8Very high86.7Confident0 Ų011 Ų110%06%0.061CC..Hα-helixtrans-55.6-62.6174.6179-28.5000110.4E413 M419 G420 M421 F459 T460 T463 A686E413-D417 VanDerWaalsContact O-CB 3.26Å; E413-D417 WeakPolarHBondContact O-CB 3.45Å; E413-D417 PolarHBondContact O-N 3.1Å; D417-M419 VanDerWaalsContact C-N 3.27Å; D417-M419 PolarHBondContact O-N 3.1Å; D417-G420 CarbonylContact O-C 3.5Å; D417-G420 PolarHBondContact O-N 3.23Å; D417-M421 PolarHBondContact O-N 3.14Å; D417-F459 HydrophobicContact CB-CB 4.29Å; D417-F459 WeakPolarHBondContact OD1-CA 3.43Å; D417-F459 WeakPolarHBondContact OD2-CB 3.33Å; D417-T460 WeakPolarHBondContact OD1-CG2 3.39Å; D417-T460 PolarHBondContact OD1-N 2.75Å; D417-T460 PolarHBondContact OD1-OG1 2.94Å; D417-T460 PolarHBondContact OD2-N 3.1Å; D417-T463 WeakPolarHBondContact CB-OG1 3.43Å; D417-T463 WeakPolarHBondContact OD2-CB 3.31Å; D417-T463 PolarHBondContact OD2-N 3.36Å; D417-T463 PolarHBondContact OD2-OG1 3.02Å; D417-A686 HydrophobicContact CB-CB 4.05Å
418A97.1Very high89Confident0 Ų010 Ų100%06%0.055CC..Hα-helixtrans-66.7-26.5-175.100000113.6A414 F441 F459 L709A414-A418 WeakPolarHBondContact O-CB 3.49Å; A414-A418 PolarHBondContact O-N 3.46Å; A418-F441 HydrophobicContact CB-CD1 4.05Å; A418-F441 HydrophobicContact CB-CE1 3.88Å; A418-F459 HydrophobicContact CB-CB 4.49Å; A418-L709 HydrophobicContact CB-CD2 3.72Å
419M97.7Very high91.3Very high0 Ų014.3 Ų14.30%09%0.085CC..Hα-helixtrans-74.7-35.8173.2-167.871.270.500111.5L415 D417 P422 I438 F441 A671 A675 L705L415-M419 HydrophobicContact CD1-CE 4.46Å; L415-M419 WeakPolarHBondContact O-CB 3.41Å; L415-M419 PolarHBondContact O-N 2.96Å; L415-M419 VanDerWaalsContact O-N 3.08Å; D417-M419 VanDerWaalsContact C-N 3.27Å; D417-M419 PolarHBondContact O-N 3.1Å; M419-P422 WeakPolarHBondContact O-CD 3.44Å; M419-I438 HydrophobicContact CG-CG2 4.46Å; M419-I438 HydrophobicContact SD-CG2 4.07Å; M419-F441 HydrophobicContact CB-CD1 4.42Å; M419-F441 HydrophobicContact CB-CE1 4.2Å; M419-F441 HydrophobicContact CE-CD1 4.11Å; M419-F441 HydrophobicContact CE-CE1 3.9Å; M419-F441 HydrophobicContact CE-CZ 4.36Å; M419-F441 HydrophobicContact SD-CD1 4.3Å; M419-A671 HydrophobicContact CB-CB 4.07Å; M419-A671 HydrophobicContact CG-CB 4.16Å; M419-A675 HydrophobicContact CG-CB 3.82Å; M419-A675 WeakPolarHBondContact O-CB 3.3Å; M419-L705 HydrophobicContact CE-CD1 3.96Å; M419-L705 HydrophobicContact CE-CD2 4.2Å
420G97.3Very high93.3Very high0 Ų018.7 Ų18.70%010%0.101CC..Hα-helixtrans-81.6-26.1-178.600000114.7G416 D417 S423 E424 T681G416-G420 PolarHBondContact O-N 3.26Å; D417-G420 CarbonylContact O-C 3.5Å; D417-G420 PolarHBondContact O-N 3.23Å; G420-S423 PolarHBondContact O-N 3.16Å; G420-S423 PolarHBondContact O-OG 3.41Å; G420-E424 PolarHBondContact O-N 2.84Å; G420-T681 PolarHBondContact O-OG1 3.34Å
421M96.4Very high94.8Very high0 Ų018.3 Ų18.30%010%0.099CC..G310 helixtrans-48.1-44.9-178174.5-82.5-70.400114.9D417 S423 E424 A451 F454 N455 T460D417-M421 PolarHBondContact O-N 3.14Å; M421-S423 VanDerWaalsContact C-N 3.28Å; M421-S423 PolarHBondContact O-N 3.42Å; M421-E424 VanDerWaalsContact O-CB 3.25Å; M421-E424 WeakPolarHBondContact O-CB 3.41Å; M421-E424 PolarHBondContact O-N 2.71Å; M421-A451 HydrophobicContact CG-CB 4.36Å; M421-A451 WeakPolarHBondContact O-CB 3.19Å; M421-A451 HydrophobicContact SD-CB 3.73Å; M421-F454 HydrophobicContact CE-CB 3.6Å; M421-F454 HydrophobicContact CG-CB 3.98Å; M421-F454 HydrophobicContact CG-CD2 4.03Å; M421-F454 HydrophobicContact CG-CG 4.13Å; M421-F454 HydrophobicContact SD-CB 3.65Å; M421-F454 HydrophobicContact SD-CD2 4.4Å; M421-F454 HydrophobicContact SD-CG 4.37Å; M421-N455 WeakPolarHBondContact CE-O 3.45Å; M421-T460 HydrophobicContact CB-CG2 3.69Å; M421-T460 HydrophobicContact CG-CG2 3.49Å; M421-T460 VanDerWaalsContact CG-CG2 3.49Å
422P97.1Very high95.5Very high0 Ų021.8 Ų21.80%011%0.113CC..G310 helixtrans-62.6-34.2-173.1-25.536.8000114.2M419 F435 I438 L442 P445 N448M419-P422 WeakPolarHBondContact O-CD 3.44Å; P422-F435 HydrophobicContact CB-CE1 4.03Å; P422-F435 HydrophobicContact CB-CZ 3.79Å; P422-F435 WeakPolarHBondContact O-CZ 3.45Å; P422-I438 HydrophobicContact CB-CD1 4.49Å; P422-L442 HydrophobicContact CB-CB 4.2Å; P422-L442 HydrophobicContact CG-CB 3.85Å; P422-L442 VanDerWaalsContact CG-O 3.3Å; P422-L442 WeakPolarHBondContact CG-O 3.46Å; P422-P445 VanDerWaalsContact O-CD 3.25Å; P422-P445 WeakPolarHBondContact O-CD 3.37Å; P422-N448 PolarHBondContact O-ND2 3.28Å; P422-N448 VanDerWaalsContact O-ND2 3.12Å
423S96.3Very high95.9Very high0 Ų026 Ų260%015%0.148CC..G310 helixtrans-982.8-176.945.30000113.8G420 M421 L425 W426 A675 T681G420-S423 PolarHBondContact O-N 3.16Å; G420-S423 PolarHBondContact O-OG 3.41Å; M421-S423 VanDerWaalsContact C-N 3.28Å; M421-S423 PolarHBondContact O-N 3.42Å; S423-L425 PolarHBondContact O-N 3.45Å; S423-W426 WeakPolarHBondContact O-CB 3.09Å; S423-W426 PolarHBondContact O-N 2.7Å; S423-W426 VanDerWaalsContact O-N 3.15Å; S423-A675 WeakPolarHBondContact CB-O 3.32Å; S423-A675 PolarHBondContact OG-O 3.47Å; S423-T681 VanDerWaalsContact C-OG1 3.26Å; S423-T681 PolarHBondContact OG-OG1 3.24Å
424E94.7Very high96Very high10 Ų1030.1 Ų30.15%0.04717%0.167CC..THydrogen-bonded Turntrans-51134.6-177.6176.4-167.5164.200111.4G420 M421 W426 N448 A450 T681 D682G420-E424 PolarHBondContact O-N 2.84Å; M421-E424 VanDerWaalsContact O-CB 3.25Å; M421-E424 WeakPolarHBondContact O-CB 3.41Å; M421-E424 PolarHBondContact O-N 2.71Å; E424-W426 PolarHBondContact O-N 3.32Å; E424-N448 PolarHBondContact O-ND2 3.45Å; E424-N448 PolarHBondContact O-OD1 2.97Å; E424-A450 HydrophobicContact CG-CB 4.2Å; E424-T681 VanDerWaalsContact CA-OG1 3.28Å; E424-T681 WeakPolarHBondContact CA-OG1 3.45Å; E424-T681 PolarHBondContact N-OG1 3Å; E424-T681 VanDerWaalsContact N-OG1 3.12Å; E424-D682 VanDerWaalsContact CD-OD2 3.32Å; E424-D682 VanDerWaalsContact CG-OD1 3.31Å; E424-D682 WeakPolarHBondContact CG-OD1 3.29Å
425L94Very high96.1Very high90 Ų9032 Ų3247%0.47118%0.175SC..THydrogen-bonded Turntrans56.912.6178.5-62.9174000115.3S423 A450 T647 G679S423-L425 PolarHBondContact O-N 3.45Å; L425-A450 HydrophobicContact CD1-CB 4.05Å; L425-T647 HydrophobicContact CD2-CG2 3.84Å; L425-G679 WeakPolarHBondContact CA-O 3.47Å; L425-G679 PolarHBondContact N-O 3.17Å
426W96Very high96.1Very high11 Ų1134.4 Ų34.44%0.04220%0.2CC..BIsolated β-bridgetrans-89.2144.1172.8-80.612.7000112.5S423 E424 R430 V431 H434 F435 P445 E447 N448 G679S423-W426 WeakPolarHBondContact O-CB 3.09Å; S423-W426 PolarHBondContact O-N 2.7Å; S423-W426 VanDerWaalsContact O-N 3.15Å; E424-W426 PolarHBondContact O-N 3.32Å; W426-R430 HydrophobicContact CD2-CG 4Å; W426-R430 VanDerWaalsContact CE2-CZ 3.43Å; W426-R430 HydrophobicContact CE3-CB 4.49Å; W426-R430 HydrophobicContact CE3-CG 3.72Å; W426-R430 HydrophobicContact CG-CG 4.46Å; W426-R430 VanDerWaalsContact CZ2-CZ 3.43Å; W426-R430 HydrophobicContact CZ3-CG 4.18Å; W426-V431 HydrophobicContact CB-CG2 3.8Å; W426-H434 HydrophobicContact CZ3-CB 3.78Å; W426-H434 AromaticContact CZ3-CD2 3.9Å; W426-H434 AromaticContact CZ3-CG 3.68Å; W426-F435 AromaticContact CE3-CE2 3.93Å; W426-F435 HydrophobicContact CE3-CE2 3.93Å; W426-F435 HydrophobicContact CZ3-CD2 4.48Å; W426-F435 AromaticContact CZ3-CE2 3.68Å; W426-F435 HydrophobicContact CZ3-CE2 3.68Å; W426-F435 HydrophobicContact CZ3-CZ 4.17Å; W426-P445 HydrophobicContact CH2-CB 3.78Å; W426-P445 HydrophobicContact CH2-CG 3.76Å; W426-P445 HydrophobicContact CZ2-CB 4.21Å; W426-P445 HydrophobicContact CZ2-CG 4.37Å; W426-P445 HydrophobicContact CZ3-CG 4.23Å; W426-E447 HydrophobicContact CH2-CG 3.68Å; W426-E447 HydrophobicContact CZ2-CG 3.62Å; W426-N448 HydrophobicContact CH2-CB 4.38Å; W426-N448 HydrophobicContact CZ2-CB 3.49Å; W426-N448 VanDerWaalsContact CZ2-CB 3.49Å; W426-N448 VanDerWaalsContact NE1-CG 3.27Å; W426-N448 PolarHBondContact NE1-OD1 2.73Å; W426-G679 PolarHBondContact O-N 2.78Å
427P96.3Very high96.1Very high63 Ų6339.8 Ų39.841%0.40922%0.22SC..  trans-59.2141.9168.8-21.532000111.3S429 R430 V431P427-S429 PolarHBondContact O-N 3.38Å; P427-S429 VanDerWaalsContact O-N 3.07Å; P427-R430 WeakPolarHBondContact O-CA 2.98Å; P427-R430 WeakPolarHBondContact O-CB 3.49Å; P427-R430 PolarHBondContact O-N 2.93Å; P427-V431 PolarHBondContact O-N 3.2Å
428R95.2Very high96.1Very high6 Ų639.8 Ų39.82%0.02322%0.22CC..Hα-helixtrans-48.5-39.5178.3-175.9175.5-179.6717.1113.6R430 V431 K432 E633 E637 Y640 N676 L677R428-R430 VanDerWaalsContact C-N 3.33Å; R428-R430 PolarHBondContact O-N 3.44Å; R428-V431 PolarHBondContact O-N 3.34Å; R428-K432 HydrophobicContact CG-CD 4.49Å; R428-K432 WeakPolarHBondContact O-CG 3.27Å; R428-K432 PolarHBondContact O-N 2.93Å; R428-E633 IonicContact CZ-OE1 3.42Å; R428-E633 IonicContact NE-OE1 3.42Å; R428-E633 IonicContact NH2-OE1 3.98Å; R428-E633 PolarHBondContact NH2-OE1 3.42Å; R428-E633 IonicContact NH2-OE2 3.55Å; R428-E633 PolarHBondContact NH2-OE2 3.13Å; R428-E637 VanDerWaalsContact CD-OE2 3.26Å; R428-E637 WeakPolarHBondContact CD-OE2 3.35Å; R428-E637 IonicContact CZ-OE2 2.83Å; R428-E637 IonicContact NE-OE2 3.23Å; R428-E637 PolarHBondContact NE-OE2 2.96Å; R428-Y640 HydrophobicContact CB-CD1 4.28Å; R428-Y640 HydrophobicContact CB-CD2 4.1Å; R428-Y640 HydrophobicContact CB-CE1 4.08Å; R428-Y640 HydrophobicContact CB-CE2 3.89Å; R428-Y640 HydrophobicContact CB-CG 4.3Å; R428-Y640 PolarHBondContact N-OH 3.37Å; R428-N676 PolarHBondContact NH1-O 2.95Å; R428-L677 WeakPolarHBondContact CB-O 3.47Å; R428-L677 WeakPolarHBondContact CD-O 3.46Å; R428-L677 VanDerWaalsContact CG-O 3.25Å; R428-L677 WeakPolarHBondContact CG-O 3.42Å; R428-L677 VanDerWaalsContact NH1-CA 3.29Å; R428-L677 PolarHBondContact NH1-O 2.96Å
429S96Very high96Very high91 Ų9143.8 Ų43.864%0.63624%0.242SC*.Hα-helixtrans-62.5-37.5177.156.40000113.1P427 A433P427-S429 PolarHBondContact O-N 3.38Å; P427-S429 VanDerWaalsContact O-N 3.07Å; S429-A433 VanDerWaalsContact O-CB 3.29Å; S429-A433 WeakPolarHBondContact O-CB 3.49Å; S429-A433 PolarHBondContact O-N 2.88Å
430R96.9Very high95.9Very high104 Ų10449.7 Ų49.739%0.39226%0.264SS..Hα-helixtrans-73.9-40.3176.7-173177179.6178.1-2.1111.5W426 P427 R428 K432 A433 H434 E447W426-R430 HydrophobicContact CD2-CG 4Å; W426-R430 VanDerWaalsContact CE2-CZ 3.43Å; W426-R430 HydrophobicContact CE3-CB 4.49Å; W426-R430 HydrophobicContact CE3-CG 3.72Å; W426-R430 HydrophobicContact CG-CG 4.46Å; W426-R430 VanDerWaalsContact CZ2-CZ 3.43Å; W426-R430 HydrophobicContact CZ3-CG 4.18Å; P427-R430 WeakPolarHBondContact O-CA 2.98Å; P427-R430 WeakPolarHBondContact O-CB 3.49Å; P427-R430 PolarHBondContact O-N 2.93Å; R428-R430 VanDerWaalsContact C-N 3.33Å; R428-R430 PolarHBondContact O-N 3.44Å; R430-K432 PolarHBondContact O-N 2.92Å; R430-A433 PolarHBondContact O-N 3.31Å; R430-H434 VanDerWaalsContact O-CB 3.32Å; R430-H434 WeakPolarHBondContact O-CB 3.32Å; R430-H434 PolarHBondContact O-N 2.93Å; R430-E447 PolarHBondContact NH2-O 2.76Å
431V96Very high95.9Very high1 Ų149.7 Ų49.71%0.00626%0.264CS..Hα-helixtrans-55.9-51.8174.5177.50000110.1W426 P427 R428 A433 H434 F435W426-V431 HydrophobicContact CB-CG2 3.8Å; P427-V431 PolarHBondContact O-N 3.2Å; R428-V431 PolarHBondContact O-N 3.34Å; V431-A433 PolarHBondContact O-N 3.21Å; V431-H434 PolarHBondContact O-N 3.1Å; V431-F435 HydrophobicContact CG1-CD2 4.13Å; V431-F435 PolarHBondContact O-N 3.45Å
432K94.7Very high95.9Very high80 Ų8051.2 Ų51.235%0.34827%0.272SS..Hα-helixtrans-60.3-44.1176.4-72.2178.2175175.80112.8R428 R430 G436 E633 E637R428-K432 HydrophobicContact CG-CD 4.49Å; R428-K432 WeakPolarHBondContact O-CG 3.27Å; R428-K432 PolarHBondContact O-N 2.93Å; R430-K432 PolarHBondContact O-N 2.92Å; K432-G436 VanDerWaalsContact O-CA 3.24Å; K432-G436 WeakPolarHBondContact O-CA 3.46Å; K432-G436 PolarHBondContact O-N 3.05Å; K432-E633 WeakPolarHBondContact CE-OE1 3.45Å; K432-E633 IonicContact NZ-OE1 3.23Å; K432-E633 PolarHBondContact NZ-OE1 3.24Å; K432-E637 IonicContact NZ-OE2 2.96Å
433A96.1Very high95.9Very high88 Ų8854.6 Ų54.673%0.72729%0.294SS*.Hα-helixtrans-68.9-34.7-177.700000113.4S429 R430 V431S429-A433 VanDerWaalsContact O-CB 3.29Å; S429-A433 WeakPolarHBondContact O-CB 3.49Å; S429-A433 PolarHBondContact O-N 2.88Å; R430-A433 PolarHBondContact O-N 3.31Å; V431-A433 PolarHBondContact O-N 3.21Å
434H96.4Very high95.7Very high88 Ų8855.2 Ų55.241%0.40730%0.3SS..Hα-helixtrans-87.2-48.3-176.2-172.990.2000112.5W426 R430 V431 E447W426-H434 HydrophobicContact CZ3-CB 3.78Å; W426-H434 AromaticContact CZ3-CD2 3.9Å; W426-H434 AromaticContact CZ3-CG 3.68Å; R430-H434 VanDerWaalsContact O-CB 3.32Å; R430-H434 WeakPolarHBondContact O-CB 3.32Å; R430-H434 PolarHBondContact O-N 2.93Å; V431-H434 PolarHBondContact O-N 3.1Å; H434-E447 IonicContact CE1-OE1 2.78Å; H434-E447 PolarHBondContact CE1-OE1 3.19Å; H434-E447 IonicContact ND1-OE1 2.64Å; H434-E447 PolarHBondContact ND1-OE1 2.82Å; H434-E447 IonicContact NE2-OE1 3.4Å
435F96Very high95.7Very high40 Ų4055.3 Ų55.318%0.17530%0.302CS..Hα-helixtrans-95.5-24.4-174.2-61.3-75.4000113.5P422 W426 V431 W437 I438 L442 P445P422-F435 HydrophobicContact CB-CE1 4.03Å; P422-F435 HydrophobicContact CB-CZ 3.79Å; P422-F435 WeakPolarHBondContact O-CZ 3.45Å; W426-F435 AromaticContact CE3-CE2 3.93Å; W426-F435 HydrophobicContact CE3-CE2 3.93Å; W426-F435 HydrophobicContact CZ3-CD2 4.48Å; W426-F435 AromaticContact CZ3-CE2 3.68Å; W426-F435 HydrophobicContact CZ3-CE2 3.68Å; W426-F435 HydrophobicContact CZ3-CZ 4.17Å; V431-F435 HydrophobicContact CG1-CD2 4.13Å; V431-F435 PolarHBondContact O-N 3.45Å; F435-W437 PolarHBondContact O-N 2.79Å; F435-I438 HydrophobicContact CB-CD1 4.29Å; F435-I438 HydrophobicContact CB-CG1 3.74Å; F435-I438 HydrophobicContact CD1-CD1 4.28Å; F435-I438 HydrophobicContact CD1-CG1 4.21Å; F435-I438 HydrophobicContact CD2-CD1 3.88Å; F435-I438 HydrophobicContact CD2-CG1 4.29Å; F435-I438 HydrophobicContact CE2-CD1 4.21Å; F435-I438 HydrophobicContact CG-CD1 3.9Å; F435-I438 HydrophobicContact CG-CG1 3.84Å; F435-L442 HydrophobicContact CD1-CD1 3.67Å; F435-L442 HydrophobicContact CE1-CD1 4.02Å; F435-P445 HydrophobicContact CE1-CG 3.96Å; F435-P445 HydrophobicContact CE2-CG 4.39Å; F435-P445 HydrophobicContact CZ-CG 3.42Å; F435-P445 VanDerWaalsContact CZ-CG 3.42Å
436G94.5Very high95.6Very high50 Ų5060.1 Ų60.152%0.51532%0.319SS..SBendtrans72.1-69.2-166.500000111.3K432K432-G436 VanDerWaalsContact O-CA 3.24Å; K432-G436 WeakPolarHBondContact O-CA 3.46Å; K432-G436 PolarHBondContact O-N 3.05Å
437W95.6Very high95.4Very high113 Ų11364 Ų6443%0.42834%0.337SS..  trans-154.1128.8175.6-171.7-105.2000110.5F435 V672 L673 N676F435-W437 PolarHBondContact O-N 2.79Å; W437-V672 HydrophobicContact CZ2-CG1 3.55Å; W437-L673 HydrophobicContact CH2-CD2 4.24Å; W437-L673 HydrophobicContact CZ2-CD2 4.46Å; W437-N676 WeakPolarHBondContact CA-OD1 3.41Å; W437-N676 HydrophobicContact CE3-CB 3.84Å; W437-N676 VanDerWaalsContact CE3-CG 3.4Å; W437-N676 HydrophobicContact CH2-CB 3.84Å; W437-N676 HydrophobicContact CZ3-CB 3.47Å; W437-N676 VanDerWaalsContact CZ3-CB 3.47Å
438I97.2Very high95.2Very high0 Ų061.3 Ų61.30%032%0.319CS..  trans-91.8114.9176-56.5176.7000108.6M419 P422 F435 L442 V672 A675 N676M419-I438 HydrophobicContact CG-CG2 4.46Å; M419-I438 HydrophobicContact SD-CG2 4.07Å; P422-I438 HydrophobicContact CB-CD1 4.49Å; F435-I438 HydrophobicContact CB-CD1 4.29Å; F435-I438 HydrophobicContact CB-CG1 3.74Å; F435-I438 HydrophobicContact CD1-CD1 4.28Å; F435-I438 HydrophobicContact CD1-CG1 4.21Å; F435-I438 HydrophobicContact CD2-CD1 3.88Å; F435-I438 HydrophobicContact CD2-CG1 4.29Å; F435-I438 HydrophobicContact CE2-CD1 4.21Å; F435-I438 HydrophobicContact CG-CD1 3.9Å; F435-I438 HydrophobicContact CG-CG1 3.84Å; I438-L442 HydrophobicContact CG1-CD1 4.18Å; I438-L442 HydrophobicContact CG2-CD1 4.26Å; I438-V672 WeakPolarHBondContact O-CG1 3.35Å; I438-A675 HydrophobicContact CB-CB 4.13Å; I438-A675 HydrophobicContact CD1-CB 4.38Å; I438-A675 HydrophobicContact CG2-CB 3.98Å; I438-N676 PolarHBondContact N-ND2 3.1Å; I438-N676 PolarHBondContact N-OD1 3.27Å; I438-N676 PolarHBondContact O-ND2 2.88Å
439D95.3Very high94.8Very high84 Ų8466.5 Ų66.545%0.44935%0.348SS..  trans-128.76.1-179.860.53.2000113.7
440R95.5Very high94.3Very high125 Ų12562.6 Ų62.647%0.47232%0.321SS..SBendtrans-157.1162.4-176.564.9-170.1177.7-82.4-1.5108.6L442R440-L442 HydrophobicContact CG-CD2 4.19Å; R440-L442 PolarHBondContact O-N 3.19Å
441F97.5Very high94Very high0 Ų057.7 Ų57.70%030%0.302CS..  trans-60.1133.7173.9-57.1-56.2000111.5L415 A418 M419 R456 A457 L705 E708 L709L415-F441 HydrophobicContact CD1-CE1 4.16Å; L415-F441 HydrophobicContact CD1-CZ 3.73Å; A418-F441 HydrophobicContact CB-CD1 4.05Å; A418-F441 HydrophobicContact CB-CE1 3.88Å; M419-F441 HydrophobicContact CB-CD1 4.42Å; M419-F441 HydrophobicContact CB-CE1 4.2Å; M419-F441 HydrophobicContact CE-CD1 4.11Å; M419-F441 HydrophobicContact CE-CE1 3.9Å; M419-F441 HydrophobicContact CE-CZ 4.36Å; M419-F441 HydrophobicContact SD-CD1 4.3Å; F441-R456 HydrophobicContact CB-CG 3.63Å; F441-R456 WeakPolarHBondContact O-CD 3.44Å; F441-R456 WeakPolarHBondContact O-CG 3.34Å; F441-R456 PolarHBondContact O-NE 3.23Å; F441-A457 HydrophobicContact CB-CB 3.84Å; F441-A457 HydrophobicContact CD1-CB 4.3Å; F441-A457 HydrophobicContact CD2-CB 3.61Å; F441-A457 HydrophobicContact CE2-CB 4.23Å; F441-A457 HydrophobicContact CG-CB 3.66Å; F441-L705 HydrophobicContact CD2-CD2 3.94Å; F441-L705 HydrophobicContact CE2-CB 3.83Å; F441-L705 HydrophobicContact CE2-CD2 3.62Å; F441-L705 HydrophobicContact CE2-CG 4.31Å; F441-L705 WeakPolarHBondContact CE2-O 3.18Å; F441-L705 HydrophobicContact CZ-CB 4.07Å; F441-L705 HydrophobicContact CZ-CD2 4.15Å; F441-E708 HydrophobicContact CD2-CB 4.35Å; F441-E708 HydrophobicContact CD2-CG 4.2Å; F441-E708 HydrophobicContact CE2-CB 4.38Å; F441-L709 HydrophobicContact CE1-CD2 4.13Å; F441-L709 HydrophobicContact CE1-CG 4.3Å; F441-L709 HydrophobicContact CE2-CD1 4.32Å; F441-L709 HydrophobicContact CE2-CD2 4.35Å; F441-L709 HydrophobicContact CE2-CG 3.8Å; F441-L709 HydrophobicContact CZ-CD1 3.68Å; F441-L709 HydrophobicContact CZ-CD2 3.78Å; F441-L709 HydrophobicContact CZ-CG 3.47Å; F441-L709 VanDerWaalsContact CZ-CG 3.47Å
442L96.5Very high93.7Very high32 Ų3259.8 Ų59.817%0.16832%0.317CS..  trans-126.5154.6175.4-62.3175000108.9P422 F435 I438 R440P422-L442 HydrophobicContact CB-CB 4.2Å; P422-L442 HydrophobicContact CG-CB 3.85Å; P422-L442 VanDerWaalsContact CG-O 3.3Å; P422-L442 WeakPolarHBondContact CG-O 3.46Å; F435-L442 HydrophobicContact CD1-CD1 3.67Å; F435-L442 HydrophobicContact CE1-CD1 4.02Å; I438-L442 HydrophobicContact CG1-CD1 4.18Å; I438-L442 HydrophobicContact CG2-CD1 4.26Å; R440-L442 HydrophobicContact CG-CD2 4.19Å; R440-L442 PolarHBondContact O-N 3.19Å
443P96.4Very high93.5Very high71 Ų7160.5 Ų60.546%0.46132%0.318SS..PPolyproline II helixtrans-73.7156.3170.132.4-34.5000110.6R456P443-R456 HydrophobicContact CB-CB 4.48Å
444G93.5Very high93.3Very high12 Ų1256.7 Ų56.712%0.12429%0.285CS..PPolyproline II helixtrans-62.3128.5172.400000112.1A451 F454G444-A451 WeakPolarHBondContact CA-O 3.49Å; G444-F454 PolarHBondContact N-O 2.64Å; G444-F454 VanDerWaalsContact N-O 3.1Å
445P94.3Very high93.2Very high12 Ų1257.2 Ų57.28%0.07829%0.291CS..PPolyproline II helixtrans-61.5144.6176.2-21.932.2000111.5P422 W426 F435 E447 N448 C452P422-P445 VanDerWaalsContact O-CD 3.25Å; P422-P445 WeakPolarHBondContact O-CD 3.37Å; W426-P445 HydrophobicContact CH2-CB 3.78Å; W426-P445 HydrophobicContact CH2-CG 3.76Å; W426-P445 HydrophobicContact CZ2-CB 4.21Å; W426-P445 HydrophobicContact CZ2-CG 4.37Å; W426-P445 HydrophobicContact CZ3-CG 4.23Å; F435-P445 HydrophobicContact CE1-CG 3.96Å; F435-P445 HydrophobicContact CE2-CG 4.39Å; F435-P445 HydrophobicContact CZ-CG 3.42Å; F435-P445 VanDerWaalsContact CZ-CG 3.42Å; P445-E447 HydrophobicContact CB-CG 4.03Å; P445-E447 PolarHBondContact O-N 3.31Å; P445-N448 HydrophobicContact CB-CB 4.23Å; P445-N448 HydrophobicContact CG-CB 4.36Å; P445-N448 PolarHBondContact O-N 3.33Å; P445-C452 WeakPolarHBondContact O-CB 3.45Å
446K91.1Very high93.1Very high192 Ų19260.6 Ų60.684%0.83530%0.302SS*.THydrogen-bonded Turntrans-60.8-30.5179.1-69-175.5178-1790112.7N448K446-N448 VanDerWaalsContact C-N 3.31Å
447E92Very high93Very high92 Ų9258.2 Ų58.243%0.4328%0.278SS..THydrogen-bonded Turntrans-83.1-1.4176.760.1-99.2-131.400114.3W426 R430 H434 P445W426-E447 HydrophobicContact CH2-CG 3.68Å; W426-E447 HydrophobicContact CZ2-CG 3.62Å; R430-E447 PolarHBondContact NH2-O 2.76Å; H434-E447 IonicContact CE1-OE1 2.78Å; H434-E447 PolarHBondContact CE1-OE1 3.19Å; H434-E447 IonicContact ND1-OE1 2.64Å; H434-E447 PolarHBondContact ND1-OE1 2.82Å; H434-E447 IonicContact NE2-OE1 3.4Å; P445-E447 HydrophobicContact CB-CG 4.03Å; P445-E447 PolarHBondContact O-N 3.31Å
448N91.6Very high92.9Very high6 Ų655.3 Ų55.33%0.03227%0.269CS..  trans-98.5103.8171.1-167-10.2000109.4P422 E424 W426 P445 K446 A450 A451 C452P422-N448 PolarHBondContact O-ND2 3.28Å; P422-N448 VanDerWaalsContact O-ND2 3.12Å; E424-N448 PolarHBondContact O-ND2 3.45Å; E424-N448 PolarHBondContact O-OD1 2.97Å; W426-N448 HydrophobicContact CH2-CB 4.38Å; W426-N448 HydrophobicContact CZ2-CB 3.49Å; W426-N448 VanDerWaalsContact CZ2-CB 3.49Å; W426-N448 VanDerWaalsContact NE1-CG 3.27Å; W426-N448 PolarHBondContact NE1-OD1 2.73Å; P445-N448 HydrophobicContact CB-CB 4.23Å; P445-N448 HydrophobicContact CG-CB 4.36Å; P445-N448 PolarHBondContact O-N 3.33Å; K446-N448 VanDerWaalsContact C-N 3.31Å; N448-A450 PolarHBondContact O-N 2.97Å; N448-A450 PolarHBondContact OD1-N 3.14Å; N448-A451 HydrophobicContact CB-CB 3.98Å; N448-A451 PolarHBondContact O-N 3.46Å; N448-C452 WeakPolarHBondContact O-CB 3.39Å; N448-C452 PolarHBondContact O-N 3.2Å; N448-C452 PolarHBondContact O-SG 3.11Å; N448-C452 VanDerWaalsContact O-SG 3.41Å
449N87.3Confident92.7Very high116 Ų11656.4 Ų56.462%0.6227%0.274SS*.THydrogen-bonded Turntrans-67.2-17.9-174.3-67.4-24000114.4Y453N449-Y453 WeakPolarHBondContact O-CE2 3.5Å
450A85.9Confident92.6Very high9 Ų952.4 Ų52.47%0.07425%0.252CS..THydrogen-bonded Turntrans-85.3-47.6175.100000110.5E424 L425 N448E424-A450 HydrophobicContact CG-CB 4.2Å; L425-A450 HydrophobicContact CD1-CB 4.05Å; N448-A450 PolarHBondContact O-N 2.97Å; N448-A450 PolarHBondContact OD1-N 3.14Å
451A90.5Very high92.4Very high0 Ų046.9 Ų46.90%023%0.232CC..G310 helixtrans-85.4-20.1-173.300000115.5M421 G444 N448 Y453 F454M421-A451 HydrophobicContact CG-CB 4.36Å; M421-A451 WeakPolarHBondContact O-CB 3.19Å; M421-A451 HydrophobicContact SD-CB 3.73Å; G444-A451 WeakPolarHBondContact CA-O 3.49Å; N448-A451 HydrophobicContact CB-CB 3.98Å; N448-A451 PolarHBondContact O-N 3.46Å; A451-Y453 PolarHBondContact O-N 3.31Å; A451-F454 PolarHBondContact O-N 3.02Å
452C89.9Confident92.3Very high45 Ų4546.9 Ų46.930%0.30423%0.232SC..G310 helixtrans-63.6-8.2-167.565.40000115.9P445 N448P445-C452 WeakPolarHBondContact O-CB 3.45Å; N448-C452 WeakPolarHBondContact O-CB 3.39Å; N448-C452 PolarHBondContact O-N 3.2Å; N448-C452 PolarHBondContact O-SG 3.11Å; N448-C452 VanDerWaalsContact O-SG 3.41Å
453Y89.9Confident92.1Very high96 Ų9645.4 Ų45.438%0.37622%0.224SC..G310 helixtrans-90.2-10.5176.8-50.9-71.2000113.8N449 A451 K501N449-Y453 WeakPolarHBondContact O-CE2 3.5Å; A451-Y453 PolarHBondContact O-N 3.31Å; Y453-K501 HydrophobicContact CD1-CD 4.25Å; Y453-K501 HydrophobicContact CD1-CG 4.16Å; Y453-K501 HydrophobicContact CD2-CB 4.06Å; Y453-K501 HydrophobicContact CD2-CG 4.45Å; Y453-K501 HydrophobicContact CE1-CG 4.21Å; Y453-K501 HydrophobicContact CE2-CB 3.99Å; Y453-K501 WeakPolarHBondContact CE2-O 3.49Å; Y453-K501 HydrophobicContact CG-CB 4.37Å; Y453-K501 HydrophobicContact CG-CD 4.15Å; Y453-K501 HydrophobicContact CG-CG 4.28Å
454F92.7Very high91.9Very high7 Ų742.7 Ų42.73%0.03121%0.207CC..  trans-107.4133.3-173.5-58.6-83.4000111.5M421 G444 A451 E458 F459 T460 F496 V503M421-F454 HydrophobicContact CE-CB 3.6Å; M421-F454 HydrophobicContact CG-CB 3.98Å; M421-F454 HydrophobicContact CG-CD2 4.03Å; M421-F454 HydrophobicContact CG-CG 4.13Å; M421-F454 HydrophobicContact SD-CB 3.65Å; M421-F454 HydrophobicContact SD-CD2 4.4Å; M421-F454 HydrophobicContact SD-CG 4.37Å; G444-F454 PolarHBondContact N-O 2.64Å; G444-F454 VanDerWaalsContact N-O 3.1Å; A451-F454 PolarHBondContact O-N 3.02Å; F454-E458 WeakPolarHBondContact CA-OE2 3.3Å; F454-E458 HydrophobicContact CB-CB 4.36Å; F454-E458 HydrophobicContact CD1-CB 4.34Å; F454-F459 WeakPolarHBondContact CE1-O 3.05Å; F454-T460 HydrophobicContact CD2-CG2 4.33Å; F454-T460 HydrophobicContact CE1-CG2 4.38Å; F454-T460 HydrophobicContact CE2-CG2 4.05Å; F454-T460 HydrophobicContact CZ-CG2 4.08Å; F454-F496 HydrophobicContact CD1-CZ 4.32Å; F454-F496 HydrophobicContact CE1-CE1 4.18Å; F454-F496 HydrophobicContact CE1-CE2 4.3Å; F454-F496 AromaticContact CE1-CZ 3.5Å; F454-F496 HydrophobicContact CE1-CZ 3.5Å; F454-F496 HydrophobicContact CZ-CE1 4.01Å; F454-F496 AromaticContact CZ-CZ 3.78Å; F454-F496 HydrophobicContact CZ-CZ 3.78Å; F454-V503 HydrophobicContact CE2-CG2 4.32Å; F454-V503 HydrophobicContact CZ-CG1 4.22Å; F454-V503 HydrophobicContact CZ-CG2 4.3Å
455N94.5Very high91.9Very high99 Ų9942.1 Ų42.153%0.52920%0.201SC..  trans-79.6171.3170.8-58.1-64.9000110.8M421 A457 E458M421-N455 WeakPolarHBondContact CE-O 3.45Å; N455-A457 PolarHBondContact O-N 3.19Å; N455-E458 HydrophobicContact CB-CG 4.17Å; N455-E458 PolarHBondContact N-OE2 3.41Å; N455-E458 PolarHBondContact ND2-OE1 3.1Å; N455-E458 PolarHBondContact ND2-OE2 2.75Å; N455-E458 PolarHBondContact O-N 2.98Å
456R93.4Very high91.9Very high111 Ų11141.6 Ų41.642%0.41920%0.198SC..THydrogen-bonded Turntrans-53.8130.2173.9173.7176.1169.8-173-5.3110.7F441 P443 E458 E708F441-R456 HydrophobicContact CB-CG 3.63Å; F441-R456 WeakPolarHBondContact O-CD 3.44Å; F441-R456 WeakPolarHBondContact O-CG 3.34Å; F441-R456 PolarHBondContact O-NE 3.23Å; P443-R456 HydrophobicContact CB-CB 4.48Å; R456-E458 PolarHBondContact O-N 2.88Å; R456-E708 WeakPolarHBondContact CD-OE1 3.45Å; R456-E708 IonicContact CZ-OE1 3.23Å; R456-E708 IonicContact CZ-OE2 3.92Å; R456-E708 IonicContact NE-OE1 2.65Å; R456-E708 PolarHBondContact NE-OE1 2.94Å; R456-E708 IonicContact NE-OE2 3.79Å; R456-E708 IonicContact NH1-OE1 3.45Å; R456-E708 VanDerWaalsContact NH2-CD 3.27Å; R456-E708 IonicContact NH2-OE1 2.71Å; R456-E708 PolarHBondContact NH2-OE1 2.87Å; R456-E708 IonicContact NH2-OE2 2.79Å; R456-E708 PolarHBondContact NH2-OE2 3.17Å
457A93Very high91.9Very high0 Ų033 Ų330%016%0.161CC..THydrogen-bonded Turntrans66.610.617800000115.5F441 N455 E708 V712 N713F441-A457 HydrophobicContact CB-CB 3.84Å; F441-A457 HydrophobicContact CD1-CB 4.3Å; F441-A457 HydrophobicContact CD2-CB 3.61Å; F441-A457 HydrophobicContact CE2-CB 4.23Å; F441-A457 HydrophobicContact CG-CB 3.66Å; N455-A457 PolarHBondContact O-N 3.19Å; A457-E708 HydrophobicContact CB-CG 3.88Å; A457-V712 HydrophobicContact CB-CB 4.38Å; A457-V712 HydrophobicContact CB-CG2 4.14Å; A457-N713 PolarHBondContact O-ND2 2.79Å
458E93.8Very high92Very high52 Ų5229 Ų2924%0.24314%0.144CC..  trans-79.2136.6164.2-68.3177.4177.400109F454 N455 R456 V712F454-E458 WeakPolarHBondContact CA-OE2 3.3Å; F454-E458 HydrophobicContact CB-CB 4.36Å; F454-E458 HydrophobicContact CD1-CB 4.34Å; N455-E458 HydrophobicContact CB-CG 4.17Å; N455-E458 PolarHBondContact N-OE2 3.41Å; N455-E458 PolarHBondContact ND2-OE1 3.1Å; N455-E458 PolarHBondContact ND2-OE2 2.75Å; N455-E458 PolarHBondContact O-N 2.98Å; R456-E458 PolarHBondContact O-N 2.88Å; E458-V712 HydrophobicContact CB-CG1 4.45Å; E458-V712 HydrophobicContact CG-CG1 3.47Å; E458-V712 VanDerWaalsContact CG-CG1 3.47Å
459F92.4Very high92.2Very high23 Ų2328.9 Ų28.910%0.10114%0.143CC..  trans-87.4163.1173.358-118.6000111.2A414 D417 A418 F454 T463 S464 L467 N713 L715 F717A414-F459 HydrophobicContact CB-CD1 4.17Å; D417-F459 HydrophobicContact CB-CB 4.29Å; D417-F459 WeakPolarHBondContact OD1-CA 3.43Å; D417-F459 WeakPolarHBondContact OD2-CB 3.33Å; A418-F459 HydrophobicContact CB-CB 4.49Å; F454-F459 WeakPolarHBondContact CE1-O 3.05Å; F459-T463 HydrophobicContact CB-CG2 4.4Å; F459-T463 HydrophobicContact CD1-CG2 3.82Å; F459-T463 HydrophobicContact CD2-CG2 3.95Å; F459-T463 HydrophobicContact CE1-CG2 4Å; F459-T463 HydrophobicContact CE2-CG2 4.16Å; F459-T463 HydrophobicContact CG-CG2 3.81Å; F459-T463 HydrophobicContact CZ-CG2 4.19Å; F459-S464 WeakPolarHBondContact CE2-OG 3.12Å; F459-L467 HydrophobicContact CE2-CD1 4.46Å; F459-L467 HydrophobicContact CZ-CD1 3.96Å; F459-N713 HydrophobicContact CD1-CB 4.03Å; F459-N713 VanDerWaalsContact CD1-CG 3.42Å; F459-N713 WeakPolarHBondContact CD1-OD1 3.32Å; F459-N713 HydrophobicContact CE1-CB 3.48Å; F459-N713 VanDerWaalsContact CE1-CB 3.48Å; F459-N713 WeakPolarHBondContact CE1-OD1 3.4Å; F459-N713 HydrophobicContact CZ-CB 4.24Å; F459-L715 HydrophobicContact CE1-CD1 3.6Å; F459-L715 HydrophobicContact CZ-CD1 3.36Å; F459-F717 HydrophobicContact CE1-CZ 4.42Å
460T93.2Very high92.4Very high0 Ų023.3 Ų23.30%011%0.113CC..  trans-95.7-154.1-173.671.80000112.3D417 M421 F454 D462 S464 D682D417-T460 WeakPolarHBondContact OD1-CG2 3.39Å; D417-T460 PolarHBondContact OD1-N 2.75Å; D417-T460 PolarHBondContact OD1-OG1 2.94Å; D417-T460 PolarHBondContact OD2-N 3.1Å; M421-T460 HydrophobicContact CB-CG2 3.69Å; M421-T460 HydrophobicContact CG-CG2 3.49Å; M421-T460 VanDerWaalsContact CG-CG2 3.49Å; F454-T460 HydrophobicContact CD2-CG2 4.33Å; F454-T460 HydrophobicContact CE1-CG2 4.38Å; F454-T460 HydrophobicContact CE2-CG2 4.05Å; F454-T460 HydrophobicContact CZ-CG2 4.08Å; T460-D462 VanDerWaalsContact C-N 3.29Å; T460-D462 PolarHBondContact OG1-N 3.17Å; T460-D462 PolarHBondContact OG1-OD2 3.13Å; T460-S464 WeakPolarHBondContact O-CB 3.36Å; T460-S464 PolarHBondContact O-N 2.75Å; T460-S464 PolarHBondContact O-OG 3.39Å; T460-D682 HydrophobicContact CG2-CB 4.28Å; T460-D682 WeakPolarHBondContact CG2-OD2 3.33Å; T460-D682 PolarHBondContact OG1-OD2 3.25Å
461D91.6Very high92.8Very high9 Ų925.6 Ų25.65%0.04812%0.124CC..Hα-helixtrans-74.6-18.317768.4-52.4000113.6M465 W492 V503 M535D461-M465 HydrophobicContact CB-CE 3.6Å; D461-M465 VanDerWaalsContact O-CB 3.26Å; D461-M465 WeakPolarHBondContact O-CB 3.28Å; D461-M465 WeakPolarHBondContact O-CG 3.4Å; D461-M465 PolarHBondContact O-N 3.11Å; D461-M465 WeakPolarHBondContact OD2-CE 3.34Å; D461-W492 HydrophobicContact CB-CH2 3.32Å; D461-W492 HydrophobicContact CB-CZ2 3.88Å; D461-W492 HydrophobicContact CB-CZ3 4.17Å; D461-V503 HydrophobicContact CB-CG1 3.65Å; D461-V503 WeakPolarHBondContact OD1-CG1 3.17Å; D461-M535 WeakPolarHBondContact OD2-CE 3.39Å
462D94Very high93Very high0 Ų025.6 Ų25.60%012%0.124CC..Hα-helixtrans-56.7-66.6173.9-63.8-56.7000110.3T460 S464 M465 A466 M535 D682 T683 A686T460-D462 VanDerWaalsContact C-N 3.29Å; T460-D462 PolarHBondContact OG1-N 3.17Å; T460-D462 PolarHBondContact OG1-OD2 3.13Å; D462-S464 VanDerWaalsContact C-N 3.29Å; D462-S464 PolarHBondContact O-N 2.75Å; D462-M465 PolarHBondContact O-N 3.01Å; D462-A466 PolarHBondContact O-N 2.95Å; D462-M535 WeakPolarHBondContact OD1-CB 3.28Å; D462-M535 WeakPolarHBondContact OD1-CG 3.4Å; D462-D682 VanDerWaalsContact OD2-C 3.29Å; D462-T683 WeakPolarHBondContact OD1-CB 3.3Å; D462-T683 PolarHBondContact OD1-OG1 3.13Å; D462-T683 WeakPolarHBondContact OD2-CA 3.28Å; D462-T683 PolarHBondContact OD2-N 3.39Å; D462-T683 PolarHBondContact OD2-OG1 3.06Å; D462-A686 HydrophobicContact CB-CB 3.89Å
463T93.4Very high93.1Very high1 Ų123.5 Ų23.51%0.00611%0.11CC..Hα-helixtrans-63.5-37.7179.2-57.20000110.9E413 A414 D417 F459 M465 A466 L467E413-T463 WeakPolarHBondContact OE1-CA 3.5Å; A414-T463 WeakPolarHBondContact CA-OG1 3.25Å; A414-T463 HydrophobicContact CB-CG2 4.06Å; D417-T463 WeakPolarHBondContact CB-OG1 3.43Å; D417-T463 WeakPolarHBondContact OD2-CB 3.31Å; D417-T463 PolarHBondContact OD2-N 3.36Å; D417-T463 PolarHBondContact OD2-OG1 3.02Å; F459-T463 HydrophobicContact CB-CG2 4.4Å; F459-T463 HydrophobicContact CD1-CG2 3.82Å; F459-T463 HydrophobicContact CD2-CG2 3.95Å; F459-T463 HydrophobicContact CE1-CG2 4Å; F459-T463 HydrophobicContact CE2-CG2 4.16Å; F459-T463 HydrophobicContact CG-CG2 3.81Å; F459-T463 HydrophobicContact CZ-CG2 4.19Å; T463-M465 PolarHBondContact O-N 3.34Å; T463-A466 PolarHBondContact O-N 3.4Å; T463-L467 HydrophobicContact CG2-CD1 4.12Å; T463-L467 HydrophobicContact CG2-CG 4.34Å; T463-L467 VanDerWaalsContact O-CG 3.24Å; T463-L467 WeakPolarHBondContact O-CG 3.31Å; T463-L467 PolarHBondContact O-N 3.06Å
464S92.6Very high93.1Very high14 Ų1420 Ų2010%0.09810%0.098CC..Hα-helixtrans-62.1-42.4179.8-650000112.8F459 T460 D462 L467 C468 W492F459-S464 WeakPolarHBondContact CE2-OG 3.12Å; T460-S464 WeakPolarHBondContact O-CB 3.36Å; T460-S464 PolarHBondContact O-N 2.75Å; T460-S464 PolarHBondContact O-OG 3.39Å; D462-S464 VanDerWaalsContact C-N 3.29Å; D462-S464 PolarHBondContact O-N 2.75Å; S464-L467 PolarHBondContact O-N 2.94Å; S464-C468 PolarHBondContact O-N 3.11Å; S464-C468 PolarHBondContact O-SG 2.87Å; S464-W492 PolarHBondContact OG-NE1 3.42Å
465M92.9Very high93.1Very high0 Ų025.3 Ų25.30%012%0.122CC..Hα-helixtrans-75.5-31.6178.1-75.6-167.7-112.700112.1D461 D462 T463 L467 C468 L469 I489 W492 L504 M535 R536D461-M465 HydrophobicContact CB-CE 3.6Å; D461-M465 VanDerWaalsContact O-CB 3.26Å; D461-M465 WeakPolarHBondContact O-CB 3.28Å; D461-M465 WeakPolarHBondContact O-CG 3.4Å; D461-M465 PolarHBondContact O-N 3.11Å; D461-M465 WeakPolarHBondContact OD2-CE 3.34Å; D462-M465 PolarHBondContact O-N 3.01Å; T463-M465 PolarHBondContact O-N 3.34Å; M465-L467 VanDerWaalsContact C-N 3.31Å; M465-C468 WeakPolarHBondContact O-CB 3.25Å; M465-C468 PolarHBondContact O-N 2.84Å; M465-L469 PolarHBondContact O-N 2.98Å; M465-I489 HydrophobicContact CG-CG1 4.44Å; M465-I489 HydrophobicContact CG-CG2 4.08Å; M465-I489 HydrophobicContact SD-CG2 3.82Å; M465-W492 HydrophobicContact CE-CH2 4.48Å; M465-W492 HydrophobicContact CE-CZ3 4.12Å; M465-W492 HydrophobicContact CG-CE3 4.28Å; M465-W492 HydrophobicContact CG-CZ3 4.16Å; M465-L504 HydrophobicContact CE-CD2 3.93Å; M465-M535 HydrophobicContact CE-CE 3.16Å; M465-M535 HydrophobicContact SD-CE 3.86Å; M465-R536 HydrophobicContact CB-CB 3.87Å
466A94.1Very high92.9Very high1 Ų126.1 Ų26.11%0.00812%0.118CC..Hα-helixtrans-60-44168.700000110.8E413 D462 T463 C468 L469 A470 R536 P539E413-A466 WeakPolarHBondContact OE1-CB 3.14Å; D462-A466 PolarHBondContact O-N 2.95Å; T463-A466 PolarHBondContact O-N 3.4Å; A466-C468 VanDerWaalsContact C-N 3.35Å; A466-C468 PolarHBondContact O-N 3.45Å; A466-L469 WeakPolarHBondContact O-CB 3.4Å; A466-L469 PolarHBondContact O-N 3.47Å; A466-A470 PolarHBondContact O-N 3.02Å; A466-R536 HydrophobicContact CB-CB 4.43Å; A466-P539 HydrophobicContact CB-CG 4.2Å; A466-P539 VanDerWaalsContact O-CG 3.28Å; A466-P539 WeakPolarHBondContact O-CG 3.43Å
467L92.3Very high92.5Very high12 Ų1227.6 Ų27.66%0.06313%0.13CC..Hα-helixtrans-64-37.6175.1-67.2172.3000112.4T410 F459 T463 S464 M465 L469 A470 D471 L715 F717 Y720T410-L467 HydrophobicContact CG2-CD2 4.18Å; F459-L467 HydrophobicContact CE2-CD1 4.46Å; F459-L467 HydrophobicContact CZ-CD1 3.96Å; T463-L467 HydrophobicContact CG2-CD1 4.12Å; T463-L467 HydrophobicContact CG2-CG 4.34Å; T463-L467 VanDerWaalsContact O-CG 3.24Å; T463-L467 WeakPolarHBondContact O-CG 3.31Å; T463-L467 PolarHBondContact O-N 3.06Å; S464-L467 PolarHBondContact O-N 2.94Å; M465-L467 VanDerWaalsContact C-N 3.31Å; L467-L469 VanDerWaalsContact C-N 3.32Å; L467-L469 PolarHBondContact O-N 3.14Å; L467-A470 PolarHBondContact O-N 3.48Å; L467-D471 WeakPolarHBondContact O-CB 3.48Å; L467-D471 PolarHBondContact O-N 3.1Å; L467-L715 HydrophobicContact CD1-CD1 3.49Å; L467-L715 VanDerWaalsContact CD1-CD1 3.49Å; L467-L715 HydrophobicContact CD1-CD2 4.4Å; L467-F717 HydrophobicContact CD2-CE1 4.33Å; L467-Y720 HydrophobicContact CD2-CD2 3.96Å; L467-Y720 HydrophobicContact CD2-CE2 3.57Å
468C93.2Very high92Very high9 Ų927.8 Ų27.86%0.06113%0.132CC..Hα-helixtrans-62-39.9173.6-670000112.4S464 M465 A466 A472 N488 I489 W492S464-C468 PolarHBondContact O-N 3.11Å; S464-C468 PolarHBondContact O-SG 2.87Å; M465-C468 WeakPolarHBondContact O-CB 3.25Å; M465-C468 PolarHBondContact O-N 2.84Å; A466-C468 VanDerWaalsContact C-N 3.35Å; A466-C468 PolarHBondContact O-N 3.45Å; C468-A472 PolarHBondContact O-N 3.38Å; C468-A472 VanDerWaalsContact O-N 3.13Å; C468-N488 HydrophobicContact CB-CB 4.06Å; C468-N488 PolarHBondContact O-ND2 3.13Å; C468-I489 HydrophobicContact CB-CG1 3.86Å; C468-W492 WeakPolarHBondContact SG-CB 3.43Å
469L95.2Very high91.7Very high2 Ų232.7 Ų32.71%0.0115%0.152CC..Hα-helixtrans-63.8-48172.9174.959.3000110.3M465 A466 L467 D471 A472 L473 I485 R536 P539 L540 A559M465-L469 PolarHBondContact O-N 2.98Å; A466-L469 WeakPolarHBondContact O-CB 3.4Å; A466-L469 PolarHBondContact O-N 3.47Å; L467-L469 VanDerWaalsContact C-N 3.32Å; L467-L469 PolarHBondContact O-N 3.14Å; L469-D471 VanDerWaalsContact C-N 3.35Å; L469-D471 PolarHBondContact O-N 3.45Å; L469-A472 PolarHBondContact O-N 2.94Å; L469-L473 HydrophobicContact CD1-CD1 4.41Å; L469-L473 HydrophobicContact CD1-CG 4.3Å; L469-L473 HydrophobicContact CG-CD1 4.26Å; L469-L473 VanDerWaalsContact O-CG 3.31Å; L469-L473 WeakPolarHBondContact O-CG 3.42Å; L469-L473 PolarHBondContact O-N 3.42Å; L469-I485 HydrophobicContact CD1-CD1 3.52Å; L469-I485 HydrophobicContact CD1-CG1 3.75Å; L469-I485 HydrophobicContact CD1-CG2 4.19Å; L469-R536 VanDerWaalsContact CD2-O 3.31Å; L469-R536 WeakPolarHBondContact CD2-O 3.39Å; L469-P539 HydrophobicContact CD2-CG 4.4Å; L469-P539 HydrophobicContact CG-CG 4.47Å; L469-L540 HydrophobicContact CD1-CD1 4.3Å; L469-L540 HydrophobicContact CD2-CB 4.41Å; L469-L540 HydrophobicContact CD2-CD1 4.3Å; L469-A559 HydrophobicContact CD1-CB 4.27Å
470A92.9Very high91.7Very high0 Ų032.6 Ų32.60%015%0.152CC..Hα-helixtrans-58.3-45.1177.600000111.8A466 L467 A472 L473 L474 P539 Y720A466-A470 PolarHBondContact O-N 3.02Å; L467-A470 PolarHBondContact O-N 3.48Å; A470-A472 VanDerWaalsContact C-N 3.34Å; A470-A472 PolarHBondContact O-N 3.5Å; A470-L473 WeakPolarHBondContact O-CB 3.49Å; A470-L473 PolarHBondContact O-N 3.01Å; A470-L474 WeakPolarHBondContact O-CB 3.35Å; A470-L474 WeakPolarHBondContact O-CD1 3.44Å; A470-L474 PolarHBondContact O-N 3.12Å; A470-P539 HydrophobicContact CB-CB 3.99Å; A470-P539 HydrophobicContact CB-CG 3.98Å; A470-Y720 HydrophobicContact CB-CD1 3.61Å; A470-Y720 HydrophobicContact CB-CE1 3.94Å; A470-Y720 HydrophobicContact CB-CG 4.4Å
471D92.4Very high91.8Very high56 Ų5634.2 Ų34.230%0.29916%0.161SC..Hα-helixtrans-58.7-43.1176.1-83-30.1000112.1L467 L469 L474 E475 Y720L467-D471 WeakPolarHBondContact O-CB 3.48Å; L467-D471 PolarHBondContact O-N 3.1Å; L469-D471 VanDerWaalsContact C-N 3.35Å; L469-D471 PolarHBondContact O-N 3.45Å; D471-L474 PolarHBondContact O-N 3Å; D471-E475 WeakPolarHBondContact O-CB 2.99Å; D471-E475 PolarHBondContact O-N 3.25Å; D471-Y720 WeakPolarHBondContact OD1-CE1 3.46Å; D471-Y720 PolarHBondContact OD1-OH 2.84Å
472A94.9Very high92Very high1 Ų134.7 Ų34.71%0.00817%0.165CC..Hα-helixtrans-64.1-41.7177.300000111.9C468 L469 A470 L474 E475 R476 L484 I485 N488C468-A472 PolarHBondContact O-N 3.38Å; C468-A472 VanDerWaalsContact O-N 3.13Å; L469-A472 PolarHBondContact O-N 2.94Å; A470-A472 VanDerWaalsContact C-N 3.34Å; A470-A472 PolarHBondContact O-N 3.5Å; A472-L474 VanDerWaalsContact C-N 3.35Å; A472-E475 PolarHBondContact O-N 3.46Å; A472-R476 WeakPolarHBondContact O-CB 3.32Å; A472-R476 PolarHBondContact O-N 3.31Å; A472-R476 VanDerWaalsContact O-N 3.08Å; A472-L484 HydrophobicContact CB-CB 4.5Å; A472-L484 HydrophobicContact CB-CD2 4.05Å; A472-L484 HydrophobicContact CB-CG 3.95Å; A472-I485 HydrophobicContact CB-CB 4.44Å; A472-I485 HydrophobicContact CB-CG1 3.64Å; A472-N488 PolarHBondContact N-ND2 2.97Å
473L93Very high92Very high0 Ų038.9 Ų38.90%019%0.187CC..Hα-helixtrans-63.2-42.1175.2-64.4172.7000111.3L469 A470 R476 E477 G478 I480 P539 L540 L543 L724L469-L473 HydrophobicContact CD1-CD1 4.41Å; L469-L473 HydrophobicContact CD1-CG 4.3Å; L469-L473 HydrophobicContact CG-CD1 4.26Å; L469-L473 VanDerWaalsContact O-CG 3.31Å; L469-L473 WeakPolarHBondContact O-CG 3.42Å; L469-L473 PolarHBondContact O-N 3.42Å; A470-L473 WeakPolarHBondContact O-CB 3.49Å; A470-L473 PolarHBondContact O-N 3.01Å; L473-R476 CarbonylContact O-C 3.55Å; L473-R476 PolarHBondContact O-N 2.93Å; L473-E477 PolarHBondContact O-N 2.83Å; L473-E477 VanDerWaalsContact O-N 3.1Å; L473-G478 PolarHBondContact O-N 3.08Å; L473-I480 HydrophobicContact CD2-CG1 3.94Å; L473-P539 HydrophobicContact CD1-CB 4.14Å; L473-L540 HydrophobicContact CD1-CD1 3.7Å; L473-L540 HydrophobicContact CD2-CD1 3.95Å; L473-L540 HydrophobicContact CG-CD1 4.36Å; L473-L543 HydrophobicContact CD1-CD2 3.97Å; L473-L543 HydrophobicContact CD2-CD2 3.61Å; L473-L543 HydrophobicContact CG-CD2 4.27Å; L473-L724 HydrophobicContact CB-CD2 4.35Å; L473-L724 HydrophobicContact CD1-CD2 3.93Å
474L89.8Confident92Very high24 Ų2439.3 Ų39.313%0.12619%0.189CC..Hα-helixtrans-66.6-42178.8-93.863.5000111.9A470 D471 A472 R476 E477 Y720 A723 L724 Y727A470-L474 WeakPolarHBondContact O-CB 3.35Å; A470-L474 WeakPolarHBondContact O-CD1 3.44Å; A470-L474 PolarHBondContact O-N 3.12Å; D471-L474 PolarHBondContact O-N 3Å; A472-L474 VanDerWaalsContact C-N 3.35Å; L474-R476 VanDerWaalsContact C-N 3.26Å; L474-R476 PolarHBondContact O-N 3.06Å; L474-E477 PolarHBondContact O-N 3.27Å; L474-Y720 HydrophobicContact CD1-CD1 4.41Å; L474-Y720 HydrophobicContact CD2-CD1 3.86Å; L474-Y720 HydrophobicContact CD2-CE1 4.23Å; L474-A723 HydrophobicContact CD1-CB 3.79Å; L474-A723 HydrophobicContact CD2-CB 3.85Å; L474-A723 HydrophobicContact CG-CB 3.68Å; L474-L724 HydrophobicContact CD1-CD2 4.12Å; L474-L724 HydrophobicContact CD1-CG 4.23Å; L474-Y727 HydrophobicContact CD1-CE2 4.46Å; L474-Y727 HydrophobicContact CG-CE2 4.39Å
475E92.6Very high92.2Very high118 Ų11838.6 Ų38.655%0.55119%0.185SC*.Hα-helixtrans-66-28.8177.3-177.4175.2165.600112.5D471 A472 L484D471-E475 WeakPolarHBondContact O-CB 2.99Å; D471-E475 PolarHBondContact O-N 3.25Å; A472-E475 PolarHBondContact O-N 3.46Å; E475-L484 HydrophobicContact CB-CD2 4.01Å; E475-L484 HydrophobicContact CG-CD2 4.01Å
476R90.3Very high92.3Very high116 Ų11638.6 Ų38.644%0.43819%0.185SC..THydrogen-bonded Turntrans-102.116.7178-66.1-61.4-160.9-157.91.3114.3A472 L473 L474 G478 K479 D481 L484A472-R476 WeakPolarHBondContact O-CB 3.32Å; A472-R476 PolarHBondContact O-N 3.31Å; A472-R476 VanDerWaalsContact O-N 3.08Å; L473-R476 CarbonylContact O-C 3.55Å; L473-R476 PolarHBondContact O-N 2.93Å; L474-R476 VanDerWaalsContact C-N 3.26Å; L474-R476 PolarHBondContact O-N 3.06Å; R476-G478 VanDerWaalsContact C-N 3.28Å; R476-G478 PolarHBondContact O-N 3.07Å; R476-K479 HydrophobicContact CB-CB 4.16Å; R476-K479 WeakPolarHBondContact CB-O 3.2Å; R476-K479 WeakPolarHBondContact O-CB 3.43Å; R476-K479 PolarHBondContact O-N 2.85Å; R476-D481 HydrophobicContact CG-CB 3.94Å; R476-D481 IonicContact CZ-OD2 3.94Å; R476-D481 VanDerWaalsContact CZ-OD2 3.28Å; R476-D481 IonicContact NE-OD2 3.71Å; R476-D481 PolarHBondContact NE-OD2 3.1Å; R476-D481 IonicContact NH2-OD2 3.96Å; R476-D481 PolarHBondContact NH2-OD2 2.89Å; R476-L484 HydrophobicContact CG-CD2 3.49Å; R476-L484 VanDerWaalsContact CG-CD2 3.49Å
477E85Confident92.3Very high142 Ų14245.8 Ų45.866%0.66421%0.211SC*.THydrogen-bonded Turntrans51.845.1176.6-57.1-178.2-178.800113.1L473 L474 Y727L473-E477 PolarHBondContact O-N 2.83Å; L473-E477 VanDerWaalsContact O-N 3.1Å; L474-E477 PolarHBondContact O-N 3.27Å; E477-Y727 VanDerWaalsContact C-CE1 3.49Å; E477-Y727 VanDerWaalsContact CA-CZ 3.5Å; E477-Y727 HydrophobicContact CB-CE1 3.87Å; E477-Y727 WeakPolarHBondContact O-CD1 3.36Å
478G82.9Confident92.4Very high4 Ų446.3 Ų46.34%0.04121%0.214CC..THydrogen-bonded Turntrans85.9-1.3179.500000115.4L473 R476 L543 R731L473-G478 PolarHBondContact O-N 3.08Å; R476-G478 VanDerWaalsContact C-N 3.28Å; R476-G478 PolarHBondContact O-N 3.07Å; G478-L543 WeakPolarHBondContact O-CD2 3.22Å; G478-R731 PolarHBondContact O-NE 3.49Å; G478-R731 PolarHBondContact O-NH2 3.39Å
479K87Confident92.4Very high154 Ų15445.9 Ų45.967%0.6721%0.211SC*.  trans-82.8142173.5-62.9-179.7179.81780111.3R476R476-K479 HydrophobicContact CB-CB 4.16Å; R476-K479 WeakPolarHBondContact CB-O 3.2Å; R476-K479 WeakPolarHBondContact O-CB 3.43Å; R476-K479 PolarHBondContact O-N 2.85Å
480I93.1Very high92.4Very high21 Ų2146.6 Ų46.611%0.10822%0.215CC..  trans-88.3113.5179-61.3168.4000108.6L473 I485 L540 L543 L544 D555 L558 A559L473-I480 HydrophobicContact CD2-CG1 3.94Å; I480-I485 HydrophobicContact CG2-CD1 4.05Å; I480-L540 HydrophobicContact CD1-CD1 4.17Å; I480-L540 HydrophobicContact CG1-CD1 4.28Å; I480-L543 HydrophobicContact CG1-CD2 4.48Å; I480-L544 HydrophobicContact CD1-CD2 4.32Å; I480-D555 HydrophobicContact CD1-CB 3.57Å; I480-L558 HydrophobicContact CB-CD2 4.18Å; I480-L558 HydrophobicContact CG2-CB 4.14Å; I480-L558 HydrophobicContact CG2-CD2 3.93Å; I480-L558 HydrophobicContact CG2-CG 3.87Å; I480-A559 HydrophobicContact CG2-CB 3.89Å
481D94.6Very high92.4Very high34 Ų3449.6 Ų49.618%0.18223%0.231CC..  trans-118.4101.2178.1-179.2-16.3000109.1R476 D483 L484 I485R476-D481 HydrophobicContact CG-CB 3.94Å; R476-D481 IonicContact CZ-OD2 3.94Å; R476-D481 VanDerWaalsContact CZ-OD2 3.28Å; R476-D481 IonicContact NE-OD2 3.71Å; R476-D481 PolarHBondContact NE-OD2 3.1Å; R476-D481 IonicContact NH2-OD2 3.96Å; R476-D481 PolarHBondContact NH2-OD2 2.89Å; D481-D483 VanDerWaalsContact C-N 3.31Å; D481-D483 PolarHBondContact O-N 3.29Å; D481-D483 PolarHBondContact OD1-N 3.38Å; D481-D483 VanDerWaalsContact OD1-N 3.16Å; D481-L484 HydrophobicContact CB-CB 3.92Å; D481-L484 PolarHBondContact O-N 2.88Å; D481-L484 PolarHBondContact OD1-N 3.31Å; D481-L484 VanDerWaalsContact OD1-N 3.15Å; D481-I485 VanDerWaalsContact O-CG1 3.26Å; D481-I485 WeakPolarHBondContact O-CG1 3.5Å; D481-I485 PolarHBondContact O-N 2.8Å
482P94.9Very high92.4Very high20 Ų2048.2 Ų48.213%0.1322%0.222CC..Hα-helixtrans-57.7-39.6-178.3-25.933.7000114.1L484 I485 G486 V521 L558 P562P482-L484 VanDerWaalsContact C-N 3.34Å; P482-I485 PolarHBondContact O-N 3.23Å; P482-G486 PolarHBondContact O-N 2.99Å; P482-V521 HydrophobicContact CB-CB 4.27Å; P482-V521 HydrophobicContact CB-CG1 3.74Å; P482-L558 HydrophobicContact CG-CD1 3.36Å; P482-L558 HydrophobicContact CG-CG 3.63Å; P482-P562 HydrophobicContact CB-CG 4.23Å; P482-P562 WeakPolarHBondContact O-CG 3.3Å
483D94.7Very high92.2Very high87 Ų8748.2 Ų48.247%0.46522%0.222SC..Hα-helixtrans-68.9-38.1-177.7-68.5-63.8000110.4D481 G486 R487 V521D481-D483 VanDerWaalsContact C-N 3.31Å; D481-D483 PolarHBondContact O-N 3.29Å; D481-D483 PolarHBondContact OD1-N 3.38Å; D481-D483 VanDerWaalsContact OD1-N 3.16Å; D483-G486 PolarHBondContact O-N 3.42Å; D483-R487 WeakPolarHBondContact O-CB 3.5Å; D483-R487 PolarHBondContact O-N 3.42Å; D483-V521 WeakPolarHBondContact OD1-CB 3.47Å; D483-V521 WeakPolarHBondContact OD1-CG2 3.31Å; D483-V521 PolarHBondContact OD1-N 3.39Å
484L94.7Very high92.2Very high10 Ų1052.6 Ų52.65%0.05225%0.245CC..Hα-helixtrans-67.6-42.2173.2-174.562.9000112.5A472 E475 R476 D481 P482 G486 R487 N488A472-L484 HydrophobicContact CB-CB 4.5Å; A472-L484 HydrophobicContact CB-CD2 4.05Å; A472-L484 HydrophobicContact CB-CG 3.95Å; E475-L484 HydrophobicContact CB-CD2 4.01Å; E475-L484 HydrophobicContact CG-CD2 4.01Å; R476-L484 HydrophobicContact CG-CD2 3.49Å; R476-L484 VanDerWaalsContact CG-CD2 3.49Å; D481-L484 HydrophobicContact CB-CB 3.92Å; D481-L484 PolarHBondContact O-N 2.88Å; D481-L484 PolarHBondContact OD1-N 3.31Å; D481-L484 VanDerWaalsContact OD1-N 3.15Å; P482-L484 VanDerWaalsContact C-N 3.34Å; L484-G486 VanDerWaalsContact C-N 3.33Å; L484-G486 PolarHBondContact O-N 3.48Å; L484-R487 PolarHBondContact O-N 2.92Å; L484-N488 PolarHBondContact O-N 3.41Å
485I95.9Very high92.1Very high0 Ų061 Ų610%028%0.275CS..Hα-helixtrans-58.9-47.9175.4-66.1162000109.9L469 A472 I480 D481 P482 R487 N488 I489 A559 P562L469-I485 HydrophobicContact CD1-CD1 3.52Å; L469-I485 HydrophobicContact CD1-CG1 3.75Å; L469-I485 HydrophobicContact CD1-CG2 4.19Å; A472-I485 HydrophobicContact CB-CB 4.44Å; A472-I485 HydrophobicContact CB-CG1 3.64Å; I480-I485 HydrophobicContact CG2-CD1 4.05Å; D481-I485 VanDerWaalsContact O-CG1 3.26Å; D481-I485 WeakPolarHBondContact O-CG1 3.5Å; D481-I485 PolarHBondContact O-N 2.8Å; P482-I485 PolarHBondContact O-N 3.23Å; I485-R487 VanDerWaalsContact C-N 3.32Å; I485-R487 PolarHBondContact O-N 3.15Å; I485-N488 PolarHBondContact O-N 3.19Å; I485-I489 HydrophobicContact CG2-CD1 3.87Å; I485-I489 VanDerWaalsContact O-CG1 3.3Å; I485-I489 WeakPolarHBondContact O-CG1 2.97Å; I485-I489 PolarHBondContact O-N 3.42Å; I485-I489 VanDerWaalsContact O-N 3.08Å; I485-A559 HydrophobicContact CD1-CB 4.06Å; I485-P562 HydrophobicContact CB-CG 4.07Å; I485-P562 HydrophobicContact CG2-CG 3.94Å
486G94.4Very high91.9Very high0 Ų057.9 Ų57.90%026%0.259CS..Hα-helixtrans-60-40.9177.200000112.8P482 D483 L484 L490P482-G486 PolarHBondContact O-N 2.99Å; D483-G486 PolarHBondContact O-N 3.42Å; L484-G486 VanDerWaalsContact C-N 3.33Å; L484-G486 PolarHBondContact O-N 3.48Å; G486-L490 WeakPolarHBondContact O-CB 3.48Å; G486-L490 PolarHBondContact O-N 3.23Å
487R94.3Very high91.7Very high151 Ų15155.7 Ų55.757%0.5726%0.256SS*.Hα-helixtrans-64.1-47.9175.5-179.1-179.1172.9178.5-2.5112.4D483 L484 I485 I489 L490 D491D483-R487 WeakPolarHBondContact O-CB 3.5Å; D483-R487 PolarHBondContact O-N 3.42Å; L484-R487 PolarHBondContact O-N 2.92Å; I485-R487 VanDerWaalsContact C-N 3.32Å; I485-R487 PolarHBondContact O-N 3.15Å; R487-I489 VanDerWaalsContact C-N 3.32Å; R487-I489 PolarHBondContact O-N 3.27Å; R487-L490 PolarHBondContact O-N 3.22Å; R487-L490 VanDerWaalsContact O-N 3.16Å; R487-D491 IonicContact NE-OD2 3.48Å; R487-D491 WeakPolarHBondContact O-CB 3.35Å; R487-D491 PolarHBondContact O-N 3.01Å
488N94.9Very high91.8Very high23 Ų2349 Ų4912%0.12323%0.225CC..Hα-helixtrans-61.9-41.8-179.3-74.53.2000111.5C468 A472 L484 I485 D491 W492C468-N488 HydrophobicContact CB-CB 4.06Å; C468-N488 PolarHBondContact O-ND2 3.13Å; A472-N488 PolarHBondContact N-ND2 2.97Å; L484-N488 PolarHBondContact O-N 3.41Å; I485-N488 PolarHBondContact O-N 3.19Å; N488-D491 PolarHBondContact O-N 3.23Å; N488-W492 PolarHBondContact O-N 3.45Å
489I93.9Very high91.8Very high0 Ų049.7 Ų49.70%023%0.227CC..Hα-helixtrans-64.1-42175.3-62.9168.5000110.8M465 C468 I485 R487 W492 A493 L512M465-I489 HydrophobicContact CG-CG1 4.44Å; M465-I489 HydrophobicContact CG-CG2 4.08Å; M465-I489 HydrophobicContact SD-CG2 3.82Å; C468-I489 HydrophobicContact CB-CG1 3.86Å; I485-I489 HydrophobicContact CG2-CD1 3.87Å; I485-I489 VanDerWaalsContact O-CG1 3.3Å; I485-I489 WeakPolarHBondContact O-CG1 2.97Å; I485-I489 PolarHBondContact O-N 3.42Å; I485-I489 VanDerWaalsContact O-N 3.08Å; R487-I489 VanDerWaalsContact C-N 3.32Å; R487-I489 PolarHBondContact O-N 3.27Å; I489-W492 PolarHBondContact O-N 3.23Å; I489-A493 VanDerWaalsContact O-CB 3.31Å; I489-A493 WeakPolarHBondContact O-CB 3.3Å; I489-A493 PolarHBondContact O-N 3.29Å; I489-L512 HydrophobicContact CB-CD2 4.13Å; I489-L512 HydrophobicContact CG2-CD1 3.86Å; I489-L512 HydrophobicContact CG2-CD2 3.68Å; I489-L512 HydrophobicContact CG2-CG 4.35Å
490L93.8Very high91.6Very high18 Ų1847.9 Ų47.99%0.09423%0.225CC..Hα-helixtrans-62.9-45.1176.2177.361.8000111.8G486 R487 W492 A493 L494 F499 L512 I515 R516G486-L490 WeakPolarHBondContact O-CB 3.48Å; G486-L490 PolarHBondContact O-N 3.23Å; R487-L490 PolarHBondContact O-N 3.22Å; R487-L490 VanDerWaalsContact O-N 3.16Å; L490-W492 VanDerWaalsContact C-N 3.32Å; L490-W492 PolarHBondContact O-N 2.94Å; L490-A493 PolarHBondContact O-N 3.42Å; L490-L494 HydrophobicContact CD1-CD1 4.17Å; L490-L494 HydrophobicContact CD1-CG 4.14Å; L490-L494 HydrophobicContact CG-CD1 4.11Å; L490-L494 HydrophobicContact CG-CG 4.49Å; L490-L494 WeakPolarHBondContact O-CG 3.24Å; L490-L494 PolarHBondContact O-N 2.81Å; L490-F499 HydrophobicContact CD1-CE2 4.13Å; L490-F499 HydrophobicContact CD1-CZ 4.02Å; L490-L512 HydrophobicContact CB-CD2 4.21Å; L490-L512 HydrophobicContact CD1-CB 4.46Å; L490-I515 HydrophobicContact CD2-CG2 4.11Å; L490-R516 HydrophobicContact CD1-CB 4.02Å; L490-R516 HydrophobicContact CD1-CG 4.43Å; L490-R516 HydrophobicContact CD2-CB 3.87Å; L490-R516 HydrophobicContact CD2-CG 4.31Å
491D93.4Very high90.9Very high63 Ų6349.4 Ų49.434%0.33723%0.231SC..Hα-helixtrans-63-39179.5-75.4-15.1000111.3R487 N488 R495R487-D491 IonicContact NE-OD2 3.48Å; R487-D491 WeakPolarHBondContact O-CB 3.35Å; R487-D491 PolarHBondContact O-N 3.01Å; N488-D491 PolarHBondContact O-N 3.23Å; D491-R495 WeakPolarHBondContact O-CB 3.28Å; D491-R495 PolarHBondContact O-N 2.85Å; D491-R495 VanDerWaalsContact O-N 3.17Å
492W92.9Very high90Very high27 Ų2753.1 Ų53.110%0.10225%0.251CS..Hα-helixtrans-65.1-48.5170.8167.184.8000111.8D461 S464 M465 C468 N488 I489 L490 L494 R495 F496 A498 L504D461-W492 HydrophobicContact CB-CH2 3.32Å; D461-W492 HydrophobicContact CB-CZ2 3.88Å; D461-W492 HydrophobicContact CB-CZ3 4.17Å; S464-W492 PolarHBondContact OG-NE1 3.42Å; M465-W492 HydrophobicContact CE-CH2 4.48Å; M465-W492 HydrophobicContact CE-CZ3 4.12Å; M465-W492 HydrophobicContact CG-CE3 4.28Å; M465-W492 HydrophobicContact CG-CZ3 4.16Å; C468-W492 WeakPolarHBondContact SG-CB 3.43Å; N488-W492 PolarHBondContact O-N 3.45Å; I489-W492 PolarHBondContact O-N 3.23Å; L490-W492 VanDerWaalsContact C-N 3.32Å; L490-W492 PolarHBondContact O-N 2.94Å; W492-L494 VanDerWaalsContact C-N 3.27Å; W492-L494 PolarHBondContact O-N 2.89Å; W492-R495 PolarHBondContact O-N 3.34Å; W492-F496 HydrophobicContact CZ2-CB 4.3Å; W492-F496 HydrophobicContact CZ2-CD1 4.16Å; W492-F496 HydrophobicContact CZ2-CG 4.26Å; W492-F496 PolarHBondContact O-N 2.88Å; W492-A498 HydrophobicContact CH2-CB 4.02Å; W492-A498 HydrophobicContact CZ3-CB 4.11Å; W492-L504 HydrophobicContact CZ3-CD2 4.05Å
493A91Very high89.2Confident0 Ų052.6 Ų52.60%025%0.247CC..Hα-helixtrans-59.8-37.6-177.800000112.4I489 L490 D497 A498 F499 L504 L512I489-A493 VanDerWaalsContact O-CB 3.31Å; I489-A493 WeakPolarHBondContact O-CB 3.3Å; I489-A493 PolarHBondContact O-N 3.29Å; L490-A493 PolarHBondContact O-N 3.42Å; A493-D497 PolarHBondContact O-N 3.24Å; A493-A498 HydrophobicContact CB-CB 4.12Å; A493-A498 PolarHBondContact O-N 3.5Å; A493-F499 HydrophobicContact CB-CD2 4.37Å; A493-F499 HydrophobicContact CB-CE2 3.85Å; A493-F499 HydrophobicContact CB-CZ 4.49Å; A493-L504 HydrophobicContact CB-CD1 4.16Å; A493-L512 HydrophobicContact CB-CD1 4.22Å
494L91.3Very high88.6Confident93 Ų9349.1 Ų49.149%0.48723%0.228SC..Hα-helixtrans-69.1-41.4174.2-69.4173000112.1L490 W492 D497 F499L490-L494 HydrophobicContact CD1-CD1 4.17Å; L490-L494 HydrophobicContact CD1-CG 4.14Å; L490-L494 HydrophobicContact CG-CD1 4.11Å; L490-L494 HydrophobicContact CG-CG 4.49Å; L490-L494 WeakPolarHBondContact O-CG 3.24Å; L490-L494 PolarHBondContact O-N 2.81Å; W492-L494 VanDerWaalsContact C-N 3.27Å; W492-L494 PolarHBondContact O-N 2.89Å; L494-D497 PolarHBondContact O-N 3.46Å; L494-F499 HydrophobicContact CD2-CD2 4.37Å; L494-F499 HydrophobicContact CD2-CE2 4.08Å; L494-F499 HydrophobicContact CG-CE2 4.49Å
495R89.5Confident87.8Confident200 Ų20050.1 Ų50.176%0.75524%0.241SC*.Hα-helixtrans-68.3-39.7-179.6-167.7-170.4-45.5165.79.1112.5D491 W492 D497D491-R495 WeakPolarHBondContact O-CB 3.28Å; D491-R495 PolarHBondContact O-N 2.85Å; D491-R495 VanDerWaalsContact O-N 3.17Å; W492-R495 PolarHBondContact O-N 3.34Å; R495-D497 VanDerWaalsContact C-N 3.31Å
496F86.6Confident87.1Confident53 Ų5354.3 Ų54.323%0.23227%0.268CS..Hα-helixtrans-82.4-10.8179.9-169.8-104.9000113.2F454 W492 A498 K501 V503F454-F496 HydrophobicContact CD1-CZ 4.32Å; F454-F496 HydrophobicContact CE1-CE1 4.18Å; F454-F496 HydrophobicContact CE1-CE2 4.3Å; F454-F496 AromaticContact CE1-CZ 3.5Å; F454-F496 HydrophobicContact CE1-CZ 3.5Å; F454-F496 HydrophobicContact CZ-CE1 4.01Å; F454-F496 AromaticContact CZ-CZ 3.78Å; F454-F496 HydrophobicContact CZ-CZ 3.78Å; W492-F496 HydrophobicContact CZ2-CB 4.3Å; W492-F496 HydrophobicContact CZ2-CD1 4.16Å; W492-F496 HydrophobicContact CZ2-CG 4.26Å; W492-F496 PolarHBondContact O-N 2.88Å; F496-A498 VanDerWaalsContact C-N 3.31Å; F496-A498 HydrophobicContact CD1-CB 4.18Å; F496-K501 HydrophobicContact CD1-CD 4.25Å; F496-K501 HydrophobicContact CE1-CD 3.89Å; F496-K501 HydrophobicContact CZ-CD 4.38Å; F496-K501 WeakPolarHBondContact O-CD 3.47Å; F496-K501 WeakPolarHBondContact O-CE 3.4Å; F496-K501 PolarHBondContact O-NZ 3.43Å; F496-V503 HydrophobicContact CE1-CG2 4.15Å
497D87.8Confident86.6Confident69 Ų6955.2 Ų55.237%0.36927%0.274SS..THydrogen-bonded Turntrans61.237.5-170.5-164.730.9000113A493 L494 R495 F499 N500 K501A493-D497 PolarHBondContact O-N 3.24Å; L494-D497 PolarHBondContact O-N 3.46Å; R495-D497 VanDerWaalsContact C-N 3.31Å; D497-F499 PolarHBondContact O-N 2.98Å; D497-N500 PolarHBondContact O-N 3.19Å; D497-N500 VanDerWaalsContact O-N 3.14Å; D497-N500 PolarHBondContact OD1-ND2 3.37Å; D497-N500 PolarHBondContact OD2-ND2 3.45Å; D497-K501 WeakPolarHBondContact O-CG 3.2Å; D497-K501 PolarHBondContact O-N 3.08Å; D497-K501 VanDerWaalsContact O-N 3.11Å
498A85.3Confident86.3Confident1 Ų148.3 Ų48.31%0.00825%0.248CC..THydrogen-bonded Turntrans-65-23.8-172.800000113.1W492 A493 F496 N500 L504W492-A498 HydrophobicContact CH2-CB 4.02Å; W492-A498 HydrophobicContact CZ3-CB 4.11Å; A493-A498 HydrophobicContact CB-CB 4.12Å; A493-A498 PolarHBondContact O-N 3.5Å; F496-A498 VanDerWaalsContact C-N 3.31Å; F496-A498 HydrophobicContact CD1-CB 4.18Å; A498-N500 VanDerWaalsContact C-N 3.31Å; A498-N500 PolarHBondContact O-N 3.28Å; A498-L504 HydrophobicContact CB-CD1 3.9Å; A498-L504 HydrophobicContact CB-CD2 4.48Å; A498-L504 HydrophobicContact CB-CG 3.81Å
499F84.3Confident86Confident20 Ų2050.5 Ų50.59%0.08826%0.257CS..THydrogen-bonded Turntrans-66.5-31.9176.1-71.3-82.7000113.3L490 A493 L494 D497 L504 K509 L512L490-F499 HydrophobicContact CD1-CE2 4.13Å; L490-F499 HydrophobicContact CD1-CZ 4.02Å; A493-F499 HydrophobicContact CB-CD2 4.37Å; A493-F499 HydrophobicContact CB-CE2 3.85Å; A493-F499 HydrophobicContact CB-CZ 4.49Å; L494-F499 HydrophobicContact CD2-CD2 4.37Å; L494-F499 HydrophobicContact CD2-CE2 4.08Å; L494-F499 HydrophobicContact CG-CE2 4.49Å; D497-F499 PolarHBondContact O-N 2.98Å; F499-L504 HydrophobicContact CD1-CD1 4.12Å; F499-L504 HydrophobicContact CD2-CD1 4.48Å; F499-L504 HydrophobicContact CE1-CD1 4.18Å; F499-L504 HydrophobicContact CG-CD1 4.28Å; F499-L504 HydrophobicContact CZ-CD1 4.39Å; F499-K509 HydrophobicContact CD1-CG 4.12Å; F499-K509 HydrophobicContact CE1-CG 4.37Å; F499-K509 PolarHBondContact O-NZ 3.3Å; F499-L512 HydrophobicContact CE1-CB 4.21Å; F499-L512 HydrophobicContact CZ-CB 3.85Å
500N82.6Confident85.7Confident115 Ų11556.1 Ų56.162%0.61529%0.285SS*.THydrogen-bonded Turntrans-96-30.9-178.8-68-39.9000112.3D497 A498 N502D497-N500 PolarHBondContact O-N 3.19Å; D497-N500 VanDerWaalsContact O-N 3.14Å; D497-N500 PolarHBondContact OD1-ND2 3.37Å; D497-N500 PolarHBondContact OD2-ND2 3.45Å; A498-N500 VanDerWaalsContact C-N 3.31Å; A498-N500 PolarHBondContact O-N 3.28Å; N500-N502 PolarHBondContact O-N 3.01Å
501K78.9Confident85.5Confident54 Ų5455.2 Ų55.224%0.23528%0.281CS..THydrogen-bonded Turntrans-78.19-178-68.9179.9-179.8168.50115.6Y453 F496 D497 V503Y453-K501 HydrophobicContact CD1-CD 4.25Å; Y453-K501 HydrophobicContact CD1-CG 4.16Å; Y453-K501 HydrophobicContact CD2-CB 4.06Å; Y453-K501 HydrophobicContact CD2-CG 4.45Å; Y453-K501 HydrophobicContact CE1-CG 4.21Å; Y453-K501 HydrophobicContact CE2-CB 3.99Å; Y453-K501 WeakPolarHBondContact CE2-O 3.49Å; Y453-K501 HydrophobicContact CG-CB 4.37Å; Y453-K501 HydrophobicContact CG-CD 4.15Å; Y453-K501 HydrophobicContact CG-CG 4.28Å; F496-K501 HydrophobicContact CD1-CD 4.25Å; F496-K501 HydrophobicContact CE1-CD 3.89Å; F496-K501 HydrophobicContact CZ-CD 4.38Å; F496-K501 WeakPolarHBondContact O-CD 3.47Å; F496-K501 WeakPolarHBondContact O-CE 3.4Å; F496-K501 PolarHBondContact O-NZ 3.43Å; D497-K501 WeakPolarHBondContact O-CG 3.2Å; D497-K501 PolarHBondContact O-N 3.08Å; D497-K501 VanDerWaalsContact O-N 3.11Å; K501-V503 HydrophobicContact CB-CG2 3.83Å; K501-V503 WeakPolarHBondContact O-CG2 3.27Å; K501-V503 PolarHBondContact O-N 2.9Å
502N74.7Confident85.4Confident112 Ų11252.2 Ų52.260%0.59927%0.265SS*.THydrogen-bonded Turntrans52.922.5-178.5-72-24.1000115.6N500N500-N502 PolarHBondContact O-N 3.01Å
503V79.1Confident85.3Confident9 Ų953 Ų536%0.05527%0.271CS..  trans-83.2-34178.8-171.80000110.9F454 D461 F496 K501 G505F454-V503 HydrophobicContact CE2-CG2 4.32Å; F454-V503 HydrophobicContact CZ-CG1 4.22Å; F454-V503 HydrophobicContact CZ-CG2 4.3Å; D461-V503 HydrophobicContact CB-CG1 3.65Å; D461-V503 WeakPolarHBondContact OD1-CG1 3.17Å; F496-V503 HydrophobicContact CE1-CG2 4.15Å; K501-V503 HydrophobicContact CB-CG2 3.83Å; K501-V503 WeakPolarHBondContact O-CG2 3.27Å; K501-V503 PolarHBondContact O-N 2.9Å; V503-G505 PolarHBondContact O-N 3.41Å
504L80.3Confident85.4Confident14 Ų1454 Ų547%0.07328%0.28CS..SBendtrans-73.9124.2178-70.7171000112.7M465 W492 A493 A498 F499 K509 L512M465-L504 HydrophobicContact CE-CD2 3.93Å; W492-L504 HydrophobicContact CZ3-CD2 4.05Å; A493-L504 HydrophobicContact CB-CD1 4.16Å; A498-L504 HydrophobicContact CB-CD1 3.9Å; A498-L504 HydrophobicContact CB-CD2 4.48Å; A498-L504 HydrophobicContact CB-CG 3.81Å; F499-L504 HydrophobicContact CD1-CD1 4.12Å; F499-L504 HydrophobicContact CD2-CD1 4.48Å; F499-L504 HydrophobicContact CE1-CD1 4.18Å; F499-L504 HydrophobicContact CG-CD1 4.28Å; F499-L504 HydrophobicContact CZ-CD1 4.39Å; L504-K509 HydrophobicContact CB-CB 4.36Å; L504-L512 HydrophobicContact CD1-CD1 3.95Å; L504-L512 HydrophobicContact CD2-CD1 3.92Å
505G78.4Confident85.4Confident30 Ų3050.8 Ų50.831%0.30926%0.263SS..  trans-57.8156.4166.800000113.6V503 T507 S508 K509V503-G505 PolarHBondContact O-N 3.41Å; G505-T507 PolarHBondContact O-N 3.11Å; G505-S508 PolarHBondContact O-N 3.35Å; G505-K509 WeakPolarHBondContact O-CB 3.41Å; G505-K509 PolarHBondContact O-N 3.2Å
506P81.6Confident85.5Confident89 Ų8946.7 Ų46.758%0.57825%0.247SC*.Hα-helixtrans-61-40.3-17123.2-33.5000113.3K509 I510P506-K509 PolarHBondContact O-N 3.01Å; P506-I510 VanDerWaalsContact O-CG1 3.32Å; P506-I510 WeakPolarHBondContact O-CG1 3.31Å; P506-I510 PolarHBondContact O-N 3.25Å
507T84.9Confident85.7Confident19 Ų1950 Ų5012%0.11727%0.267CS..Hα-helixtrans-62.6-50.5178.3-46.80000111.2G505 K509 I510 A511 T530 T563G505-T507 PolarHBondContact O-N 3.11Å; T507-K509 VanDerWaalsContact C-N 3.33Å; T507-K509 PolarHBondContact O-N 2.95Å; T507-I510 PolarHBondContact O-N 3.28Å; T507-A511 WeakPolarHBondContact O-CB 3.37Å; T507-A511 PolarHBondContact O-N 2.95Å; T507-T530 PolarHBondContact OG1-OG1 3.2Å; T507-T563 VanDerWaalsContact CG2-O 3.25Å; T507-T563 WeakPolarHBondContact CG2-O 3.31Å
508S87Confident85.7Confident5 Ų549.6 Ų49.64%0.03528%0.28CS..Hα-helixtrans-61.6-41.6177.9-59.30000111.3G505 I510 A511 L512G505-S508 PolarHBondContact O-N 3.35Å; S508-I510 PolarHBondContact O-N 3.11Å; S508-A511 PolarHBondContact O-N 3.28Å; S508-L512 WeakPolarHBondContact O-CB 3.36Å; S508-L512 WeakPolarHBondContact O-CG 3.19Å; S508-L512 PolarHBondContact O-N 3.5Å
509K88Confident86Confident69 Ų6953.7 Ų53.730%0.330%0.297SS..Hα-helixtrans-61.5-42.8178-166.4170.8-169.1163.80112.3F499 L504 G505 P506 T507 N513F499-K509 HydrophobicContact CD1-CG 4.12Å; F499-K509 HydrophobicContact CE1-CG 4.37Å; F499-K509 PolarHBondContact O-NZ 3.3Å; L504-K509 HydrophobicContact CB-CB 4.36Å; G505-K509 WeakPolarHBondContact O-CB 3.41Å; G505-K509 PolarHBondContact O-N 3.2Å; P506-K509 PolarHBondContact O-N 3.01Å; T507-K509 VanDerWaalsContact C-N 3.33Å; T507-K509 PolarHBondContact O-N 2.95Å; K509-N513 WeakPolarHBondContact O-CB 3.38Å; K509-N513 VanDerWaalsContact O-CG 3.31Å; K509-N513 PolarHBondContact O-N 3.02Å; K509-N513 VanDerWaalsContact O-N 3.12Å; K509-N513 PolarHBondContact O-ND2 3.34Å
510I87.9Confident86.2Confident118 Ų11855.5 Ų55.561%0.60531%0.311SS*.Hα-helixtrans-64.3-48.5176.6-68.6165000110.3P506 T507 S508 N513 A514P506-I510 VanDerWaalsContact O-CG1 3.32Å; P506-I510 WeakPolarHBondContact O-CG1 3.31Å; P506-I510 PolarHBondContact O-N 3.25Å; T507-I510 PolarHBondContact O-N 3.28Å; S508-I510 PolarHBondContact O-N 3.11Å; I510-N513 PolarHBondContact O-N 2.88Å; I510-A514 PolarHBondContact O-N 3.17Å; I510-A514 VanDerWaalsContact O-N 3.1Å
511A89.9Confident86.6Confident0 Ų050.1 Ų50.10%028%0.282CS..Hα-helixtrans-62.1-47.3-178.700000112.3T507 S508 N513 A514 I515 N526 P562 T563T507-A511 WeakPolarHBondContact O-CB 3.37Å; T507-A511 PolarHBondContact O-N 2.95Å; S508-A511 PolarHBondContact O-N 3.28Å; A511-N513 VanDerWaalsContact C-N 3.35Å; A511-N513 PolarHBondContact O-N 2.92Å; A511-A514 WeakPolarHBondContact O-CB 3.26Å; A511-A514 PolarHBondContact O-N 2.93Å; A511-A514 VanDerWaalsContact O-N 3.13Å; A511-I515 WeakPolarHBondContact O-CG1 3.45Å; A511-I515 PolarHBondContact O-N 2.86Å; A511-N526 WeakPolarHBondContact CB-ND2 3.44Å; A511-P562 WeakPolarHBondContact CB-O 3.41Å; A511-T563 HydrophobicContact CB-CG2 4.09Å
512L91.9Very high87.1Confident0 Ų051.7 Ų51.70%031%0.305CS..Hα-helixtrans-67.5-32.9-179.7-66.5172.8000112.6I489 L490 A493 F499 L504 S508 I515 R516I489-L512 HydrophobicContact CB-CD2 4.13Å; I489-L512 HydrophobicContact CG2-CD1 3.86Å; I489-L512 HydrophobicContact CG2-CD2 3.68Å; I489-L512 HydrophobicContact CG2-CG 4.35Å; L490-L512 HydrophobicContact CB-CD2 4.21Å; L490-L512 HydrophobicContact CD1-CB 4.46Å; A493-L512 HydrophobicContact CB-CD1 4.22Å; F499-L512 HydrophobicContact CE1-CB 4.21Å; F499-L512 HydrophobicContact CZ-CB 3.85Å; L504-L512 HydrophobicContact CD1-CD1 3.95Å; L504-L512 HydrophobicContact CD2-CD1 3.92Å; S508-L512 WeakPolarHBondContact O-CB 3.36Å; S508-L512 WeakPolarHBondContact O-CG 3.19Å; S508-L512 PolarHBondContact O-N 3.5Å; L512-I515 HydrophobicContact CD2-CD1 4.39Å; L512-R516 VanDerWaalsContact O-CB 3.29Å; L512-R516 WeakPolarHBondContact O-CB 3.31Å; L512-R516 PolarHBondContact O-N 3.43Å
513N91.3Very high87.8Confident42 Ų4252.1 Ų52.123%0.22530%0.303CS..Hα-helixtrans-63.6-43.9170.4-78.3-49.8000111K509 I510 A511 I515 R516 D517K509-N513 WeakPolarHBondContact O-CB 3.38Å; K509-N513 VanDerWaalsContact O-CG 3.31Å; K509-N513 PolarHBondContact O-N 3.02Å; K509-N513 VanDerWaalsContact O-N 3.12Å; K509-N513 PolarHBondContact O-ND2 3.34Å; I510-N513 PolarHBondContact O-N 2.88Å; A511-N513 VanDerWaalsContact C-N 3.35Å; A511-N513 PolarHBondContact O-N 2.92Å; N513-I515 PolarHBondContact O-N 3.29Å; N513-R516 WeakPolarHBondContact O-CB 3.31Å; N513-R516 PolarHBondContact O-N 3.33Å; N513-R516 PolarHBondContact OD1-NH1 3.34Å; N513-R516 PolarHBondContact OD1-NH2 3.36Å; N513-D517 WeakPolarHBondContact O-CB 3.43Å; N513-D517 PolarHBondContact O-N 2.97Å
514A91.6Very high88.3Confident23 Ų2352 Ų5219%0.1930%0.303CS..Hα-helixtrans-64.5-40.317800000112.6I510 A511 D517 G518 K519 L524I510-A514 PolarHBondContact O-N 3.17Å; I510-A514 VanDerWaalsContact O-N 3.1Å; A511-A514 WeakPolarHBondContact O-CB 3.26Å; A511-A514 PolarHBondContact O-N 2.93Å; A511-A514 VanDerWaalsContact O-N 3.13Å; A514-D517 CarbonylContact O-C 3.55Å; A514-D517 PolarHBondContact O-N 2.6Å; A514-G518 PolarHBondContact O-N 3.49Å; A514-K519 HydrophobicContact CB-CB 4.35Å; A514-K519 VanDerWaalsContact O-CB 3.27Å; A514-K519 WeakPolarHBondContact O-CB 3.48Å; A514-K519 PolarHBondContact O-N 3.1Å; A514-L524 HydrophobicContact CB-CD2 3.56Å
515I91.6Very high88.4Confident25 Ų2559.3 Ų59.313%0.12834%0.336CS..Hα-helixtrans-63.2-44.6174.1-66.6168000110.3L490 A511 L512 N513 D517 G518 V521 L524 P562L490-I515 HydrophobicContact CD2-CG2 4.11Å; A511-I515 WeakPolarHBondContact O-CG1 3.45Å; A511-I515 PolarHBondContact O-N 2.86Å; L512-I515 HydrophobicContact CD2-CD1 4.39Å; N513-I515 PolarHBondContact O-N 3.29Å; I515-D517 PolarHBondContact O-N 3.43Å; I515-G518 PolarHBondContact O-N 2.93Å; I515-V521 HydrophobicContact CD1-CG2 4.18Å; I515-V521 HydrophobicContact CG1-CG2 4.41Å; I515-L524 HydrophobicContact CD1-CD1 4.01Å; I515-L524 HydrophobicContact CG1-CD1 3.75Å; I515-P562 HydrophobicContact CD1-CB 4.43Å
516R90.9Very high88.6Confident114 Ų11458.8 Ų58.843%0.4333%0.326SS..Hα-helixtrans-59.2-35175.8-171.2-173.366.9-144.3-10.1112.1L490 L512 N513 G518L490-R516 HydrophobicContact CD1-CB 4.02Å; L490-R516 HydrophobicContact CD1-CG 4.43Å; L490-R516 HydrophobicContact CD2-CB 3.87Å; L490-R516 HydrophobicContact CD2-CG 4.31Å; L512-R516 VanDerWaalsContact O-CB 3.29Å; L512-R516 WeakPolarHBondContact O-CB 3.31Å; L512-R516 PolarHBondContact O-N 3.43Å; N513-R516 WeakPolarHBondContact O-CB 3.31Å; N513-R516 PolarHBondContact O-N 3.33Å; N513-R516 PolarHBondContact OD1-NH1 3.34Å; N513-R516 PolarHBondContact OD1-NH2 3.36Å; R516-G518 PolarHBondContact O-N 3.01Å
517D91.9Very high88.9Confident122 Ų12258.1 Ų58.165%0.65232%0.318SS*.THydrogen-bonded Turntrans-81.17.2177.6-60.3-14.6000112.7N513 A514 I515N513-D517 WeakPolarHBondContact O-CB 3.43Å; N513-D517 PolarHBondContact O-N 2.97Å; A514-D517 CarbonylContact O-C 3.55Å; A514-D517 PolarHBondContact O-N 2.6Å; I515-D517 PolarHBondContact O-N 3.43Å
518G88.6Confident89.1Confident61 Ų6158 Ų5863%0.62932%0.32SS*.THydrogen-bonded Turntrans87.610.417200000115.1A514 I515 R516 P520A514-G518 PolarHBondContact O-N 3.49Å; I515-G518 PolarHBondContact O-N 2.93Å; R516-G518 PolarHBondContact O-N 3.01Å; G518-P520 WeakPolarHBondContact O-CD 3.48Å
519K91Very high89.4Confident87 Ų8760.3 Ų60.338%0.37833%0.334SS..  trans-74.6124.5177.6-169.5166.9176.1-172.90110.4A514 E523 L524A514-K519 HydrophobicContact CB-CB 4.35Å; A514-K519 VanDerWaalsContact O-CB 3.27Å; A514-K519 WeakPolarHBondContact O-CB 3.48Å; A514-K519 PolarHBondContact O-N 3.1Å; K519-E523 HydrophobicContact CD-CB 4.49Å; K519-E523 VanDerWaalsContact CE-CB 3.42Å; K519-E523 WeakPolarHBondContact CE-O 3.29Å; K519-E523 HydrophobicContact CG-CB 4.15Å; K519-E523 PolarHBondContact NZ-O 3.49Å; K519-L524 HydrophobicContact CB-CD2 4.26Å; K519-L524 HydrophobicContact CD-CD2 3.82Å; K519-L524 HydrophobicContact CG-CD2 3.95Å
520P89.1Confident89.8Confident57 Ų5758.1 Ų58.137%0.3733%0.326SS..  trans-60.7146.5178.2-22.332.8000112.2G518 A522 E523G518-P520 WeakPolarHBondContact O-CD 3.48Å; P520-A522 PolarHBondContact O-N 3.18Å; P520-A522 VanDerWaalsContact O-N 3.17Å; P520-E523 PolarHBondContact O-N 2.76Å
521V89.6Confident90.1Very high3 Ų352.9 Ų52.92%0.01830%0.3CS..G310 helixtrans-58.6-34.7-178.9170.40000111.8P482 D483 I515 E523 L524 P562 K565P482-V521 HydrophobicContact CB-CB 4.27Å; P482-V521 HydrophobicContact CB-CG1 3.74Å; D483-V521 WeakPolarHBondContact OD1-CB 3.47Å; D483-V521 WeakPolarHBondContact OD1-CG2 3.31Å; D483-V521 PolarHBondContact OD1-N 3.39Å; I515-V521 HydrophobicContact CD1-CG2 4.18Å; I515-V521 HydrophobicContact CG1-CG2 4.41Å; V521-E523 PolarHBondContact O-N 3.26Å; V521-L524 HydrophobicContact CG2-CD1 4.44Å; V521-L524 PolarHBondContact O-N 3.12Å; V521-P562 HydrophobicContact CG1-CB 4.34Å; V521-P562 HydrophobicContact CG1-CG 4.15Å; V521-P562 HydrophobicContact CG2-CB 4.31Å; V521-K565 PolarHBondContact O-NZ 2.97Å
522A89.7Confident90.3Very high86 Ų8653.1 Ų53.171%0.71130%0.302SS*.G310 helixtrans-55.7-36177.100000113.2P520 K565P520-A522 PolarHBondContact O-N 3.18Å; P520-A522 VanDerWaalsContact O-N 3.17Å; A522-K565 PolarHBondContact O-NZ 3.12Å; A522-K565 VanDerWaalsContact O-NZ 3.1Å
523E89.8Confident90.4Very high122 Ų12253.1 Ų53.157%0.5730%0.302SS*.G310 helixtrans-88.1-5.2-175.8-62.1-176.3-17100114.3K519 P520 V521K519-E523 HydrophobicContact CD-CB 4.49Å; K519-E523 VanDerWaalsContact CE-CB 3.42Å; K519-E523 WeakPolarHBondContact CE-O 3.29Å; K519-E523 HydrophobicContact CG-CB 4.15Å; K519-E523 PolarHBondContact NZ-O 3.49Å; P520-E523 PolarHBondContact O-N 2.76Å; V521-E523 PolarHBondContact O-N 3.26Å
524L88.5Confident90.7Very high7 Ų751.1 Ų51.14%0.03729%0.292CS..  trans-73.9133.6177.1-57.1176.8000110.1A514 I515 K519 V521 N526 K565A514-L524 HydrophobicContact CB-CD2 3.56Å; I515-L524 HydrophobicContact CD1-CD1 4.01Å; I515-L524 HydrophobicContact CG1-CD1 3.75Å; K519-L524 HydrophobicContact CB-CD2 4.26Å; K519-L524 HydrophobicContact CD-CD2 3.82Å; K519-L524 HydrophobicContact CG-CD2 3.95Å; V521-L524 HydrophobicContact CG2-CD1 4.44Å; V521-L524 PolarHBondContact O-N 3.12Å; L524-N526 HydrophobicContact CB-CB 4.45Å; L524-N526 VanDerWaalsContact CB-ND2 3.32Å; L524-N526 WeakPolarHBondContact CB-ND2 3.45Å; L524-N526 WeakPolarHBondContact CD1-ND2 3.2Å; L524-K565 VanDerWaalsContact O-CD 3.29Å; L524-K565 WeakPolarHBondContact O-CD 3.05Å; L524-K565 WeakPolarHBondContact O-CE 3.36Å; L524-K565 PolarHBondContact O-NZ 2.92Å
525E82.7Confident90.9Very high167 Ų16750.4 Ų50.478%0.7828%0.284SS*.  trans-78.5-46174.1-69.7-17317200111.3N527 K565E525-N527 PolarHBondContact O-N 2.91Å; E525-K565 WeakPolarHBondContact O-CB 3.32Å
526N83.2Confident91.1Very high18 Ų1849.3 Ų49.310%0.09628%0.279CS..  trans43.739.2170.8-70.4-3.5000115A511 L524 G528 S561 P562 T563 H564 K565A511-N526 WeakPolarHBondContact CB-ND2 3.44Å; L524-N526 HydrophobicContact CB-CB 4.45Å; L524-N526 VanDerWaalsContact CB-ND2 3.32Å; L524-N526 WeakPolarHBondContact CB-ND2 3.45Å; L524-N526 WeakPolarHBondContact CD1-ND2 3.2Å; N526-G528 PolarHBondContact O-N 3.16Å; N526-S561 PolarHBondContact ND2-O 3.2Å; N526-P562 PolarHBondContact ND2-O 3.42Å; N526-T563 WeakPolarHBondContact CB-O 3.27Å; N526-H564 CarbonylContact O-C 3.53Å; N526-H564 WeakPolarHBondContact O-CA 3Å; N526-K565 HydrophobicContact CB-CG 4.35Å; N526-K565 PolarHBondContact O-N 3.35Å
527N88.2Confident91.3Very high75 Ų7544 Ų4440%0.40126%0.259SS..  trans-78.831.3-175.6-157.837.5000113.3E525 S566 T609E525-N527 PolarHBondContact O-N 2.91Å; N527-S566 WeakPolarHBondContact OD1-CA 3.48Å; N527-S566 VanDerWaalsContact OD1-CB 3.24Å; N527-S566 WeakPolarHBondContact OD1-CB 3.43Å; N527-T609 PolarHBondContact ND2-O 3.07Å; N527-T609 WeakPolarHBondContact OD1-CB 3.49Å; N527-T609 PolarHBondContact OD1-OG1 3.11Å
528G89.3Confident91.5Very high16 Ų1638.3 Ų38.317%0.16523%0.229CC..  trans-73.4146.5179.500000112.2N526 S566N526-G528 PolarHBondContact O-N 3.16Å; G528-S566 WeakPolarHBondContact O-CB 3.26Å; G528-S566 PolarHBondContact O-OG 3.37Å
529V93.7Very high91.7Very high55 Ų5535.5 Ų35.533%0.33320%0.199SC..  trans-1039.8-175.1-660000113.7L568 T610 T649V529-L568 HydrophobicContact CB-CD2 3.78Å; V529-L568 HydrophobicContact CG1-CB 4.46Å; V529-L568 HydrophobicContact CG1-CD2 4.09Å; V529-T610 HydrophobicContact CG1-CG2 3.8Å; V529-T649 WeakPolarHBondContact O-CB 3.46Å; V529-T649 PolarHBondContact O-N 3.06Å; V529-T649 PolarHBondContact O-OG1 3.11Å; V529-T649 VanDerWaalsContact O-OG1 3.09Å
530T94.6Very high91.8Very high22 Ų2231.3 Ų31.314%0.13518%0.181CC..BIsolated β-bridgetrans-77.6158.1178.643.70000111.8T507 G532 H564 T647 T649T507-T530 PolarHBondContact OG1-OG1 3.2Å; T530-G532 PolarHBondContact O-N 3.03Å; T530-H564 PolarHBondContact O-CD2 2.95Å; T530-H564 PolarHBondContact O-NE2 3.21Å; T530-H564 PolarHBondContact OG1-NE2 3.16Å; T530-T647 VanDerWaalsContact CA-O 3.29Å; T530-T647 WeakPolarHBondContact CA-O 3.37Å; T530-T649 PolarHBondContact O-OG1 3.23Å
531N94.9Very high92Very high9 Ų928.6 Ų28.65%0.04816%0.163CC..THydrogen-bonded Turntrans-73.82-174578.6000115.7A533 A534 M535 T647 T649 S652 D680 T683N531-A533 PolarHBondContact O-N 3.37Å; N531-A534 WeakPolarHBondContact O-CA 3.39Å; N531-A534 PolarHBondContact O-N 2.87Å; N531-M535 PolarHBondContact O-N 2.88Å; N531-T647 PolarHBondContact N-O 2.77Å; N531-T647 PolarHBondContact ND2-O 2.98Å; N531-T647 PolarHBondContact OD1-O 2.79Å; N531-T649 VanDerWaalsContact CA-OG1 3.26Å; N531-T649 WeakPolarHBondContact CA-OG1 3.26Å; N531-T649 PolarHBondContact N-OG1 3.1Å; N531-S652 VanDerWaalsContact CB-OG 3.26Å; N531-S652 WeakPolarHBondContact CB-OG 3.47Å; N531-S652 WeakPolarHBondContact ND2-CB 3.18Å; N531-S652 PolarHBondContact ND2-OG 3.08Å; N531-S652 VanDerWaalsContact ND2-OG 3.12Å; N531-D680 PolarHBondContact ND2-OD2 3.19Å; N531-T683 HydrophobicContact CB-CG2 4.39Å; N531-T683 WeakPolarHBondContact ND2-CG2 3.49Å
532G93.5Very high92Very high4 Ų429.2 Ų29.24%0.04117%0.168CC..Hα-helixtrans-56.1-24.2-177.400000115.7T530 M535 R536T530-G532 PolarHBondContact O-N 3.03Å; G532-M535 VanDerWaalsContact CA-SD 3.58Å; G532-R536 PolarHBondContact O-NH1 3.2Å
533A95.6Very high92Very high1 Ų125.1 Ų25.11%0.00813%0.134CC..Hα-helixtrans-72.7-47.7170.100000112.2N531 V537 H564 A569 A573N531-A533 PolarHBondContact O-N 3.37Å; A533-V537 WeakPolarHBondContact O-CB 3.17Å; A533-H564 HydrophobicContact CB-CB 3.88Å; A533-A569 HydrophobicContact CB-CB 4.28Å; A533-A573 HydrophobicContact CB-CB 3.94Å
534A97.3Very high91.9Very high0 Ų019.5 Ų19.50%011%0.108CC..Hα-helixtrans-70.9-37.6-175.500000112.4N531 R536 V537 A573 I576 V653 M687N531-A534 WeakPolarHBondContact O-CA 3.39Å; N531-A534 PolarHBondContact O-N 2.87Å; A534-R536 VanDerWaalsContact C-N 3.27Å; A534-R536 PolarHBondContact O-N 3.33Å; A534-V537 VanDerWaalsContact O-CG1 3.26Å; A534-V537 WeakPolarHBondContact O-CG1 3.25Å; A534-V537 PolarHBondContact O-N 3.2Å; A534-A573 HydrophobicContact CB-CB 4.45Å; A534-I576 HydrophobicContact CB-CG1 4.27Å; A534-V653 HydrophobicContact CB-CG2 3.69Å; A534-M687 HydrophobicContact CB-SD 3.6Å
535M95.3Very high91.6Very high8 Ų820.2 Ų20.24%0.03911%0.112CC..Hα-helixtrans-61.7-34.4-177.381.2-165.7-159.300113.5D461 D462 M465 N531 G532 T683D461-M535 WeakPolarHBondContact OD2-CE 3.39Å; D462-M535 WeakPolarHBondContact OD1-CB 3.28Å; D462-M535 WeakPolarHBondContact OD1-CG 3.4Å; M465-M535 HydrophobicContact CE-CE 3.16Å; M465-M535 HydrophobicContact SD-CE 3.86Å; N531-M535 PolarHBondContact O-N 2.88Å; G532-M535 VanDerWaalsContact CA-SD 3.58Å; M535-T683 HydrophobicContact CB-CG2 3.53Å
536R95Very high91.5Very high2 Ų212.5 Ų12.51%0.0088%0.078CC..THydrogen-bonded Turntrans-97.7-1.3-177.173.5175.6-172-93.94114.7M465 A466 L469 G532 A534 S538 P539 A559 S560 T563M465-R536 HydrophobicContact CB-CB 3.87Å; A466-R536 HydrophobicContact CB-CB 4.43Å; L469-R536 VanDerWaalsContact CD2-O 3.31Å; L469-R536 WeakPolarHBondContact CD2-O 3.39Å; G532-R536 PolarHBondContact O-NH1 3.2Å; A534-R536 VanDerWaalsContact C-N 3.27Å; A534-R536 PolarHBondContact O-N 3.33Å; R536-S538 VanDerWaalsContact C-N 3.26Å; R536-S538 PolarHBondContact O-N 3.33Å; R536-P539 VanDerWaalsContact O-CD 3.27Å; R536-P539 WeakPolarHBondContact O-CD 3.29Å; R536-A559 PolarHBondContact NH2-O 3.01Å; R536-A559 VanDerWaalsContact NH2-O 3.16Å; R536-S560 PolarHBondContact NH2-O 3.34Å; R536-T563 PolarHBondContact NH1-OG1 3.12Å; R536-T563 PolarHBondContact NH2-OG1 3.41Å
537V96.3Very high90.9Very high3 Ų313.9 Ų13.92%0.0188%0.083CC..  trans-78.6-9.7-163.881.50000113.5A533 A534 L540 G541 V556 A573 I576 A577A533-V537 WeakPolarHBondContact O-CB 3.17Å; A534-V537 VanDerWaalsContact O-CG1 3.26Å; A534-V537 WeakPolarHBondContact O-CG1 3.25Å; A534-V537 PolarHBondContact O-N 3.2Å; V537-L540 HydrophobicContact CG2-CB 4.09Å; V537-L540 HydrophobicContact CG2-CD2 4.13Å; V537-L540 WeakPolarHBondContact O-CA 3.43Å; V537-L540 WeakPolarHBondContact O-CB 3.48Å; V537-L540 PolarHBondContact O-N 3.18Å; V537-G541 PolarHBondContact O-N 2.96Å; V537-V556 HydrophobicContact CG2-CG1 4.11Å; V537-A573 HydrophobicContact CB-CB 4.28Å; V537-A573 WeakPolarHBondContact CG1-O 3.43Å; V537-A573 HydrophobicContact CG2-CB 3.98Å; V537-I576 HydrophobicContact CG1-CB 3.78Å; V537-I576 HydrophobicContact CG1-CG2 3.74Å; V537-A577 HydrophobicContact CG1-CB 4.04Å; V537-A577 HydrophobicContact CG2-CB 3.87Å
538S95Very high90.3Very high2 Ų214.4 Ų14.41%0.0149%0.086CC..Hα-helixtrans-54.8-39.9-170.288.20000115L409 E413 R536 L540 G541 C542L409-S538 VanDerWaalsContact CD2-CB 3.41Å; L409-S538 VanDerWaalsContact CD2-O 3.22Å; L409-S538 WeakPolarHBondContact CD2-O 3.29Å; E413-S538 WeakPolarHBondContact OE2-CB 3.25Å; E413-S538 PolarHBondContact OE2-OG 3.19Å; R536-S538 VanDerWaalsContact C-N 3.26Å; R536-S538 PolarHBondContact O-N 3.33Å; S538-L540 PolarHBondContact O-N 3.39Å; S538-L540 VanDerWaalsContact O-N 3.12Å; S538-G541 PolarHBondContact O-N 3.46Å; S538-C542 PolarHBondContact O-N 3.48Å
539P93.6Very high90.1Very high1 Ų115.5 Ų15.51%0.0069%0.09CC..Hα-helixtrans-61.9-26176.9-20.132.9000113.1A466 L469 A470 L473 R536 C542 L543 L724A466-P539 HydrophobicContact CB-CG 4.2Å; A466-P539 VanDerWaalsContact O-CG 3.28Å; A466-P539 WeakPolarHBondContact O-CG 3.43Å; L469-P539 HydrophobicContact CD2-CG 4.4Å; L469-P539 HydrophobicContact CG-CG 4.47Å; A470-P539 HydrophobicContact CB-CB 3.99Å; A470-P539 HydrophobicContact CB-CG 3.98Å; L473-P539 HydrophobicContact CD1-CB 4.14Å; R536-P539 VanDerWaalsContact O-CD 3.27Å; R536-P539 WeakPolarHBondContact O-CD 3.29Å; P539-C542 WeakPolarHBondContact O-CB 3.18Å; P539-C542 PolarHBondContact O-N 2.93Å; P539-L543 PolarHBondContact O-N 3.21Å; P539-L543 VanDerWaalsContact O-N 3.08Å; P539-L724 HydrophobicContact CB-CD1 3.99Å
540L93.5Very high89.7Confident0 Ų016.1 Ų16.10%09%0.091CC..Hα-helixtrans-75.8-34.6179.4-131.458.4000111.7L469 L473 I480 V537 S538 C542 L543 L544 V556 A559L469-L540 HydrophobicContact CD1-CD1 4.3Å; L469-L540 HydrophobicContact CD2-CB 4.41Å; L469-L540 HydrophobicContact CD2-CD1 4.3Å; L473-L540 HydrophobicContact CD1-CD1 3.7Å; L473-L540 HydrophobicContact CD2-CD1 3.95Å; L473-L540 HydrophobicContact CG-CD1 4.36Å; I480-L540 HydrophobicContact CD1-CD1 4.17Å; I480-L540 HydrophobicContact CG1-CD1 4.28Å; V537-L540 HydrophobicContact CG2-CB 4.09Å; V537-L540 HydrophobicContact CG2-CD2 4.13Å; V537-L540 WeakPolarHBondContact O-CA 3.43Å; V537-L540 WeakPolarHBondContact O-CB 3.48Å; V537-L540 PolarHBondContact O-N 3.18Å; S538-L540 PolarHBondContact O-N 3.39Å; S538-L540 VanDerWaalsContact O-N 3.12Å; L540-C542 PolarHBondContact O-N 3.04Å; L540-L543 HydrophobicContact CD1-CD2 4.2Å; L540-L543 PolarHBondContact O-N 3.44Å; L540-L544 HydrophobicContact CD2-CD1 4.5Å; L540-L544 HydrophobicContact CG-CD1 3.94Å; L540-L544 HydrophobicContact CG-CG 4.35Å; L540-L544 WeakPolarHBondContact O-CB 3.27Å; L540-L544 WeakPolarHBondContact O-CG 3.44Å; L540-L544 PolarHBondContact O-N 2.76Å; L540-V556 HydrophobicContact CD2-CG2 4.31Å; L540-A559 HydrophobicContact CD1-CB 4.23Å; L540-A559 HydrophobicContact CD2-CB 3.2Å; L540-A559 HydrophobicContact CG-CB 4.36Å
541G93Very high89.1Confident0 Ų017.9 Ų17.90%010%0.104CC..Hα-helixtrans-61.3-33.7168.900000112.4V537 S538 A577 S581 R728V537-G541 PolarHBondContact O-N 2.96Å; S538-G541 PolarHBondContact O-N 3.46Å; G541-A577 VanDerWaalsContact CA-O 3.31Å; G541-A577 WeakPolarHBondContact CA-O 3.27Å; G541-S581 VanDerWaalsContact O-CA 3.3Å; G541-S581 WeakPolarHBondContact O-CA 3.3Å; G541-S581 WeakPolarHBondContact O-CB 3.44Å; G541-R728 PolarHBondContact O-NH1 2.71Å
542C89.4Confident88.9Confident16 Ų1617.7 Ų17.711%0.10810%0.103CC..Hα-helixtrans-68.9-44.3171.6-65.60000112.7L409 S538 P539 L540 I584 L724 R728L409-C542 VanDerWaalsContact CD2-SG 3.58Å; S538-C542 PolarHBondContact O-N 3.48Å; P539-C542 WeakPolarHBondContact O-CB 3.18Å; P539-C542 PolarHBondContact O-N 2.93Å; L540-C542 PolarHBondContact O-N 3.04Å; C542-I584 HydrophobicContact CB-CD1 4.03Å; C542-L724 HydrophobicContact CB-CB 4Å; C542-L724 HydrophobicContact CB-CD1 4.05Å; C542-R728 WeakPolarHBondContact O-CB 3.38Å; C542-R728 VanDerWaalsContact O-CD 3.28Å; C542-R728 WeakPolarHBondContact O-CD 3.44Å; C542-R728 WeakPolarHBondContact O-CG 3.46Å; C542-R728 PolarHBondContact O-NH1 3.02Å
543L88.8Confident89Confident0 Ų017.7 Ų17.70%010%0.102CC..Hα-helixtrans-71.4-41.5-174.2177.567.9000113.5L473 G478 I480 P539 L540 P545 L724 Y727 R728 R731L473-L543 HydrophobicContact CD1-CD2 3.97Å; L473-L543 HydrophobicContact CD2-CD2 3.61Å; L473-L543 HydrophobicContact CG-CD2 4.27Å; G478-L543 WeakPolarHBondContact O-CD2 3.22Å; I480-L543 HydrophobicContact CG1-CD2 4.48Å; P539-L543 PolarHBondContact O-N 3.21Å; P539-L543 VanDerWaalsContact O-N 3.08Å; L540-L543 HydrophobicContact CD1-CD2 4.2Å; L540-L543 PolarHBondContact O-N 3.44Å; L543-P545 WeakPolarHBondContact O-CD 3.45Å; L543-L724 HydrophobicContact CB-CD2 4.35Å; L543-Y727 VanDerWaalsContact CD1-CB 3.45Å; L543-R728 WeakPolarHBondContact O-CA 3.29Å; L543-R731 WeakPolarHBondContact O-CD 3.26Å
544L88.2Confident89Confident4 Ų421.8 Ų21.82%0.02112%0.124CC..SBendtrans-94.8120.9-165.9-62.2179.9000111.6I480 L540 F552 D555 V556 S581 R728I480-L544 HydrophobicContact CD1-CD2 4.32Å; L540-L544 HydrophobicContact CD2-CD1 4.5Å; L540-L544 HydrophobicContact CG-CD1 3.94Å; L540-L544 HydrophobicContact CG-CG 4.35Å; L540-L544 WeakPolarHBondContact O-CB 3.27Å; L540-L544 WeakPolarHBondContact O-CG 3.44Å; L540-L544 PolarHBondContact O-N 2.76Å; L544-F552 HydrophobicContact CB-CD2 3.82Å; L544-F552 HydrophobicContact CB-CE2 3.55Å; L544-F552 HydrophobicContact CB-CZ 4.41Å; L544-F552 HydrophobicContact CD1-CD2 4.34Å; L544-F552 HydrophobicContact CD1-CE2 4.27Å; L544-D555 HydrophobicContact CD1-CB 3.68Å; L544-D555 HydrophobicContact CD2-CB 4.06Å; L544-D555 VanDerWaalsContact CD2-OD2 3.28Å; L544-D555 WeakPolarHBondContact CD2-OD2 3.37Å; L544-V556 HydrophobicContact CD1-CG2 4.05Å; L544-S581 WeakPolarHBondContact O-CB 3.31Å; L544-S581 PolarHBondContact O-OG 2.63Å; L544-R728 PolarHBondContact O-NH1 2.93Å
545P81.6Confident88.9Confident21 Ų2123.3 Ų23.314%0.13613%0.132CC..  trans-65.9130.6168.1-1932.8000111.5L543 H547 R728 R731 E732L543-P545 WeakPolarHBondContact O-CD 3.45Å; P545-H547 VanDerWaalsContact C-N 3.32Å; P545-H547 WeakPolarHBondContact CB-CD2 3.4Å; P545-H547 WeakPolarHBondContact CB-NE2 3.39Å; P545-H547 PolarHBondContact O-N 3.47Å; P545-H547 VanDerWaalsContact O-N 3.14Å; P545-R728 HydrophobicContact CG-CG 4.25Å; P545-R731 HydrophobicContact CG-CB 3.97Å; P545-E732 HydrophobicContact CB-CG 4.15Å; P545-E732 HydrophobicContact CG-CG 3.68Å
546A81.4Confident89Confident6 Ų623 Ų235%0.0513%0.13CC..SBendtrans-90.366.5-178.200000111F552 W578 S581 R582A546-F552 HydrophobicContact CB-CD2 4.3Å; A546-F552 HydrophobicContact CB-CE2 4.14Å; A546-W578 HydrophobicContact CB-CD2 4.03Å; A546-W578 HydrophobicContact CB-CE3 3.85Å; A546-W578 HydrophobicContact CB-CH2 3.89Å; A546-W578 HydrophobicContact CB-CZ2 4.08Å; A546-W578 HydrophobicContact CB-CZ3 3.78Å; A546-S581 WeakPolarHBondContact CB-OG 3.46Å; A546-S581 PolarHBondContact N-OG 3.17Å; A546-R582 HydrophobicContact CB-CG 4.3Å
547H70.5Confident89.1Confident47 Ų4724.3 Ų24.322%0.21814%0.141CC..SBendtrans-112.4-47.7-177-55.8-41.7000112.4P545 S997P545-H547 VanDerWaalsContact C-N 3.32Å; P545-H547 WeakPolarHBondContact CB-CD2 3.4Å; P545-H547 WeakPolarHBondContact CB-NE2 3.39Å; P545-H547 PolarHBondContact O-N 3.47Å; P545-H547 VanDerWaalsContact O-N 3.14Å; H547-S997 VanDerWaalsContact CB-O 3.26Å; H547-S997 WeakPolarHBondContact CB-O 3.44Å; H547-S997 PolarHBondContact CD2-O 2.99Å; H547-S997 PolarHBondContact CE1-O 2.89Å; H547-S997 VanDerWaalsContact CG-C 3.5Å; H547-S997 PolarHBondContact ND1-O 2.9Å; H547-S997 PolarHBondContact NE2-O 2.9Å
548D76.2Confident89Confident86 Ų8627.6 Ų27.646%0.4616%0.159SC..  trans-105.2112.5170.9174.917.9000110.2D550 S551 F552D548-D550 VanDerWaalsContact C-N 3.27Å; D548-D550 PolarHBondContact O-N 2.55Å; D548-D550 PolarHBondContact OD1-N 3.16Å; D548-S551 WeakPolarHBondContact OD2-CB 3.26Å; D548-S551 PolarHBondContact OD2-N 3.11Å; D548-S551 VanDerWaalsContact OD2-N 3.15Å; D548-F552 WeakPolarHBondContact O-CB 3.43Å; D548-F552 PolarHBondContact O-N 3.08Å
549V84.3Confident89.1Confident39 Ų3927.6 Ų27.624%0.23616%0.159CC..Hα-helixtrans-59.5-39.1179.6-178.10000111.1F552 I553 W578 I599V549-F552 PolarHBondContact O-N 3.44Å; V549-I553 HydrophobicContact CG1-CD1 3.74Å; V549-I553 HydrophobicContact CG1-CG1 4.47Å; V549-I553 VanDerWaalsContact O-CD1 3.31Å; V549-I553 WeakPolarHBondContact O-CD1 3.42Å; V549-I553 WeakPolarHBondContact O-CG1 3.4Å; V549-I553 PolarHBondContact O-N 3.19Å; V549-W578 HydrophobicContact CB-CH2 4.41Å; V549-W578 HydrophobicContact CB-CZ3 4.43Å; V549-W578 HydrophobicContact CG2-CH2 3.56Å; V549-W578 HydrophobicContact CG2-CZ2 4.27Å; V549-W578 HydrophobicContact CG2-CZ3 4.05Å; V549-I599 HydrophobicContact CG1-CD1 4.04Å; V549-I599 HydrophobicContact CG2-CD1 3.85Å
550D85.2Confident89.3Confident67 Ų6727.6 Ų27.636%0.35816%0.159SC..Hα-helixtrans-71.9-50.4-174.5-88.5-41.7000111.6D548 F552 I553 D554 H602 K606D548-D550 VanDerWaalsContact C-N 3.27Å; D548-D550 PolarHBondContact O-N 2.55Å; D548-D550 PolarHBondContact OD1-N 3.16Å; D550-F552 VanDerWaalsContact C-N 3.27Å; D550-F552 PolarHBondContact O-N 3.25Å; D550-I553 PolarHBondContact O-N 3.03Å; D550-D554 PolarHBondContact O-N 3.42Å; D550-H602 IonicContact OD1-CD2 3.65Å; D550-H602 IonicContact OD1-NE2 3.84Å; D550-H602 PolarHBondContact OD1-NE2 3.07Å; D550-H602 IonicContact OD2-NE2 3.05Å; D550-K606 VanDerWaalsContact C-NZ 3.31Å; D550-K606 VanDerWaalsContact CA-NZ 3.33Å; D550-K606 PolarHBondContact O-NZ 3.08Å; D550-K606 WeakPolarHBondContact OD1-CD 3.49Å; D550-K606 WeakPolarHBondContact OD1-CE 3.46Å; D550-K606 IonicContact OD1-NZ 3.58Å; D550-K606 PolarHBondContact OD1-NZ 2.97Å
551S82.9Confident89.3Confident59 Ų5928.2 Ų28.241%0.41316%0.163SC..Hα-helixtrans-59.8-38.4173.5-175.10000111.9D548 I553 D554 D555D548-S551 WeakPolarHBondContact OD2-CB 3.26Å; D548-S551 PolarHBondContact OD2-N 3.11Å; D548-S551 VanDerWaalsContact OD2-N 3.15Å; S551-I553 PolarHBondContact O-N 2.83Å; S551-D554 PolarHBondContact O-N 3.38Å; S551-D555 PolarHBondContact O-N 2.84Å
552F90.2Very high89.4Confident5 Ų528.2 Ų28.22%0.02216%0.163CC..Hα-helixtrans-61.5-44.5177.5-168.6-81.4000111.5L544 A546 D548 V549 D550 D554 D555 V556 V574 A577 W578L544-F552 HydrophobicContact CB-CD2 3.82Å; L544-F552 HydrophobicContact CB-CE2 3.55Å; L544-F552 HydrophobicContact CB-CZ 4.41Å; L544-F552 HydrophobicContact CD1-CD2 4.34Å; L544-F552 HydrophobicContact CD1-CE2 4.27Å; A546-F552 HydrophobicContact CB-CD2 4.3Å; A546-F552 HydrophobicContact CB-CE2 4.14Å; D548-F552 WeakPolarHBondContact O-CB 3.43Å; D548-F552 PolarHBondContact O-N 3.08Å; V549-F552 PolarHBondContact O-N 3.44Å; D550-F552 VanDerWaalsContact C-N 3.27Å; D550-F552 PolarHBondContact O-N 3.25Å; F552-D554 VanDerWaalsContact C-N 3.34Å; F552-D554 PolarHBondContact O-N 3.06Å; F552-D555 PolarHBondContact O-N 3.27Å; F552-V556 HydrophobicContact CD1-CG2 3.92Å; F552-V556 HydrophobicContact CE1-CG2 3.69Å; F552-V556 HydrophobicContact CZ-CG2 4.4Å; F552-V556 VanDerWaalsContact O-CG2 3.29Å; F552-V556 WeakPolarHBondContact O-CG2 3.36Å; F552-V556 PolarHBondContact O-N 2.97Å; F552-V574 HydrophobicContact CD1-CG1 4.26Å; F552-V574 HydrophobicContact CE1-CG1 4.37Å; F552-A577 HydrophobicContact CE1-CB 3.9Å; F552-A577 HydrophobicContact CZ-CB 3.79Å; F552-W578 HydrophobicContact CB-CE3 4.36Å; F552-W578 HydrophobicContact CB-CZ3 4.02Å; F552-W578 AromaticContact CD1-CE3 3.69Å; F552-W578 HydrophobicContact CD1-CE3 3.69Å; F552-W578 HydrophobicContact CD1-CZ3 4.22Å; F552-W578 HydrophobicContact CD2-CE3 4.1Å; F552-W578 HydrophobicContact CD2-CZ3 4.21Å; F552-W578 HydrophobicContact CE1-CB 4.11Å; F552-W578 AromaticContact CE1-CE3 3.92Å; F552-W578 HydrophobicContact CE1-CE3 3.92Å; F552-W578 HydrophobicContact CE2-CE3 4.31Å; F552-W578 AromaticContact CG-CE3 3.79Å; F552-W578 HydrophobicContact CG-CE3 3.79Å; F552-W578 AromaticContact CG-CZ3 3.9Å; F552-W578 HydrophobicContact CG-CZ3 3.9Å; F552-W578 HydrophobicContact CZ-CB 4.33Å; F552-W578 HydrophobicContact CZ-CE3 4.23Å
553I96.3Very high89.5Confident5 Ų527.5 Ų27.53%0.02616%0.158CC..Hα-helixtrans-63.5-41.6176.8-68.3158.6000111.2V549 D550 S551 V556 A557 V570 V574 H602 A603 K606V549-I553 HydrophobicContact CG1-CD1 3.74Å; V549-I553 HydrophobicContact CG1-CG1 4.47Å; V549-I553 VanDerWaalsContact O-CD1 3.31Å; V549-I553 WeakPolarHBondContact O-CD1 3.42Å; V549-I553 WeakPolarHBondContact O-CG1 3.4Å; V549-I553 PolarHBondContact O-N 3.19Å; D550-I553 PolarHBondContact O-N 3.03Å; S551-I553 PolarHBondContact O-N 2.83Å; I553-V556 PolarHBondContact O-N 3.15Å; I553-A557 VanDerWaalsContact O-CB 3.25Å; I553-A557 WeakPolarHBondContact O-CB 3.41Å; I553-A557 PolarHBondContact O-N 2.86Å; I553-V570 HydrophobicContact CG2-CG1 4.35Å; I553-V574 HydrophobicContact CB-CG2 4.33Å; I553-V574 HydrophobicContact CG1-CG1 3.99Å; I553-V574 HydrophobicContact CG1-CG2 3.95Å; I553-V574 HydrophobicContact CG2-CG2 4.33Å; I553-H602 VanDerWaalsContact CD1-CD2 3.46Å; I553-H602 WeakPolarHBondContact CD1-CD2 3.43Å; I553-A603 HydrophobicContact CD1-CB 3.92Å; I553-A603 HydrophobicContact CG1-CB 3.94Å; I553-A603 HydrophobicContact CG2-CB 4.46Å; I553-K606 HydrophobicContact CB-CD 4.21Å; I553-K606 HydrophobicContact CD1-CD 4.26Å; I553-K606 HydrophobicContact CG2-CD 3.81Å
554D94.6Very high89.8Confident87 Ų8727.5 Ų27.547%0.46516%0.158SC..Hα-helixtrans-65.7-41.2-178-68.6-30.5000111.5D550 S551 F552 A557 L558 K606D550-D554 PolarHBondContact O-N 3.42Å; S551-D554 PolarHBondContact O-N 3.38Å; F552-D554 VanDerWaalsContact C-N 3.34Å; F552-D554 PolarHBondContact O-N 3.06Å; D554-A557 PolarHBondContact O-N 3.09Å; D554-L558 WeakPolarHBondContact O-CB 3.42Å; D554-L558 PolarHBondContact O-N 3.11Å; D554-K606 WeakPolarHBondContact OD1-CE 3.48Å; D554-K606 IonicContact OD1-NZ 2.63Å; D554-K606 PolarHBondContact OD1-NZ 2.99Å; D554-K606 IonicContact OD2-NZ 3.46Å; D554-K606 PolarHBondContact OD2-NZ 3.43Å
555D95.2Very high90.1Very high32 Ų3229.4 Ų29.417%0.17117%0.167CC..Hα-helixtrans-65.9-43175.2-88.7-9.8000112.3I480 L544 S551 F552 L558 A559 R731I480-D555 HydrophobicContact CD1-CB 3.57Å; L544-D555 HydrophobicContact CD1-CB 3.68Å; L544-D555 HydrophobicContact CD2-CB 4.06Å; L544-D555 VanDerWaalsContact CD2-OD2 3.28Å; L544-D555 WeakPolarHBondContact CD2-OD2 3.37Å; S551-D555 PolarHBondContact O-N 2.84Å; F552-D555 PolarHBondContact O-N 3.27Å; D555-L558 WeakPolarHBondContact O-CB 3.26Å; D555-L558 PolarHBondContact O-N 2.83Å; D555-A559 PolarHBondContact O-N 3.19Å; D555-R731 IonicContact OD2-CZ 3.31Å; D555-R731 IonicContact OD2-NH1 4Å; D555-R731 PolarHBondContact OD2-NH1 3.38Å; D555-R731 IonicContact OD2-NH2 3.8Å
556V97.4Very high90.8Very high0 Ų028.4 Ų28.40%016%0.16CC..Hα-helixtrans-64.8-40175.2173.90000111.2V537 L540 L544 F552 I553 L558 A559 S560 A573 V574 A577V537-V556 HydrophobicContact CG2-CG1 4.11Å; L540-V556 HydrophobicContact CD2-CG2 4.31Å; L544-V556 HydrophobicContact CD1-CG2 4.05Å; F552-V556 HydrophobicContact CD1-CG2 3.92Å; F552-V556 HydrophobicContact CE1-CG2 3.69Å; F552-V556 HydrophobicContact CZ-CG2 4.4Å; F552-V556 VanDerWaalsContact O-CG2 3.29Å; F552-V556 WeakPolarHBondContact O-CG2 3.36Å; F552-V556 PolarHBondContact O-N 2.97Å; I553-V556 PolarHBondContact O-N 3.15Å; V556-L558 VanDerWaalsContact C-N 3.33Å; V556-L558 PolarHBondContact O-N 3.1Å; V556-A559 PolarHBondContact O-N 2.59Å; V556-S560 VanDerWaalsContact O-CB 3.26Å; V556-S560 WeakPolarHBondContact O-CB 3.08Å; V556-S560 PolarHBondContact O-N 3.16Å; V556-S560 PolarHBondContact O-OG 2.81Å; V556-A573 HydrophobicContact CG1-CB 3.66Å; V556-V574 HydrophobicContact CB-CG2 3.78Å; V556-V574 HydrophobicContact CG1-CG2 3.65Å; V556-V574 HydrophobicContact CG2-CG2 4.23Å; V556-A577 HydrophobicContact CG2-CB 4.14Å
557A96.9Very high91.5Very high30 Ų3028.5 Ų28.525%0.24816%0.16CC..Hα-helixtrans-62.8-41175.300000111.4I553 D554 S560 S561 V570I553-A557 VanDerWaalsContact O-CB 3.25Å; I553-A557 WeakPolarHBondContact O-CB 3.41Å; I553-A557 PolarHBondContact O-N 2.86Å; D554-A557 PolarHBondContact O-N 3.09Å; A557-S560 PolarHBondContact O-N 3.27Å; A557-S561 WeakPolarHBondContact O-CB 3.43Å; A557-S561 PolarHBondContact O-N 3.33Å; A557-V570 HydrophobicContact CB-CG1 3.85Å; A557-V570 HydrophobicContact CB-CG2 4.17Å
558L95.6Very high92.8Very high72 Ų7226.4 Ų26.438%0.37715%0.15SC..Hα-helixtrans-62.3-46.8178-170.262.7000111.4I480 P482 D554 D555 V556 S560 S561I480-L558 HydrophobicContact CB-CD2 4.18Å; I480-L558 HydrophobicContact CG2-CB 4.14Å; I480-L558 HydrophobicContact CG2-CD2 3.93Å; I480-L558 HydrophobicContact CG2-CG 3.87Å; P482-L558 HydrophobicContact CG-CD1 3.36Å; P482-L558 HydrophobicContact CG-CG 3.63Å; D554-L558 WeakPolarHBondContact O-CB 3.42Å; D554-L558 PolarHBondContact O-N 3.11Å; D555-L558 WeakPolarHBondContact O-CB 3.26Å; D555-L558 PolarHBondContact O-N 2.83Å; V556-L558 VanDerWaalsContact C-N 3.33Å; V556-L558 PolarHBondContact O-N 3.1Å; L558-S560 VanDerWaalsContact C-N 3.33Å; L558-S560 PolarHBondContact O-N 3.32Å; L558-S561 WeakPolarHBondContact O-CB 3.45Å; L558-S561 PolarHBondContact O-N 3.44Å; L558-S561 PolarHBondContact O-OG 3.33Å
559A96.7Very high93.8Very high2 Ų222.3 Ų22.32%0.01713%0.128CC..Hα-helixtrans-70.7-26.2176.500000114L469 I480 I485 R536 L540 D555 V556 P562L469-A559 HydrophobicContact CD1-CB 4.27Å; I480-A559 HydrophobicContact CG2-CB 3.89Å; I485-A559 HydrophobicContact CD1-CB 4.06Å; R536-A559 PolarHBondContact NH2-O 3.01Å; R536-A559 VanDerWaalsContact NH2-O 3.16Å; L540-A559 HydrophobicContact CD1-CB 4.23Å; L540-A559 HydrophobicContact CD2-CB 3.2Å; L540-A559 HydrophobicContact CG-CB 4.36Å; D555-A559 PolarHBondContact O-N 3.19Å; V556-A559 PolarHBondContact O-N 2.59Å; A559-P562 VanDerWaalsContact O-CD 3.28Å; A559-P562 WeakPolarHBondContact O-CD 3.28Å
560S96.4Very high94.4Very high2 Ų221 Ų211%0.01412%0.12CC..Hα-helixtrans-75.3-30.4176.1-62.40000112.4R536 V556 A557 L558 P562 T563 H564R536-S560 PolarHBondContact NH2-O 3.34Å; V556-S560 VanDerWaalsContact O-CB 3.26Å; V556-S560 WeakPolarHBondContact O-CB 3.08Å; V556-S560 PolarHBondContact O-N 3.16Å; V556-S560 PolarHBondContact O-OG 2.81Å; A557-S560 PolarHBondContact O-N 3.27Å; L558-S560 VanDerWaalsContact C-N 3.33Å; L558-S560 PolarHBondContact O-N 3.32Å; S560-P562 VanDerWaalsContact O-CD 3.3Å; S560-P562 WeakPolarHBondContact O-CD 3.21Å; S560-P562 VanDerWaalsContact O-N 3.11Å; S560-T563 PolarHBondContact O-N 3.5Å; S560-T563 VanDerWaalsContact O-N 3.16Å; S560-H564 CarbonylContact C-O 3.48Å; S560-H564 WeakPolarHBondContact CB-O 3.42Å; S560-H564 PolarHBondContact O-N 3.09Å
561S95.1Very high95Very high13 Ų1317.9 Ų17.99%0.09110%0.103CC..THydrogen-bonded Turntrans-53.8-27.7-169.676.50000118.1N526 A557 L558 T563 H564 K565N526-S561 PolarHBondContact ND2-O 3.2Å; A557-S561 WeakPolarHBondContact O-CB 3.43Å; A557-S561 PolarHBondContact O-N 3.33Å; L558-S561 WeakPolarHBondContact O-CB 3.45Å; L558-S561 PolarHBondContact O-N 3.44Å; L558-S561 PolarHBondContact O-OG 3.33Å; S561-T563 PolarHBondContact O-N 3.01Å; S561-H564 PolarHBondContact N-O 3.28Å; S561-K565 WeakPolarHBondContact O-CE 3.38Å
562P93.6Very high95.8Very high0 Ų015 Ų150%08%0.084CC..THydrogen-bonded Turntrans-60.1-27.2176.5-2738.1000113.7P482 I485 A511 I515 V521 N526 A559 S560P482-P562 HydrophobicContact CB-CG 4.23Å; P482-P562 WeakPolarHBondContact O-CG 3.3Å; I485-P562 HydrophobicContact CB-CG 4.07Å; I485-P562 HydrophobicContact CG2-CG 3.94Å; A511-P562 WeakPolarHBondContact CB-O 3.41Å; I515-P562 HydrophobicContact CD1-CB 4.43Å; V521-P562 HydrophobicContact CG1-CB 4.34Å; V521-P562 HydrophobicContact CG1-CG 4.15Å; V521-P562 HydrophobicContact CG2-CB 4.31Å; N526-P562 PolarHBondContact ND2-O 3.42Å; A559-P562 VanDerWaalsContact O-CD 3.28Å; A559-P562 WeakPolarHBondContact O-CD 3.28Å; S560-P562 VanDerWaalsContact O-CD 3.3Å; S560-P562 WeakPolarHBondContact O-CD 3.21Å; S560-P562 VanDerWaalsContact O-N 3.11Å
563T92.4Very high96.2Very high0 Ų014.8 Ų14.80%08%0.083CC..THydrogen-bonded Turntrans-132.4-24.8-17959.30000114.5T507 A511 N526 R536 S560 S561T507-T563 VanDerWaalsContact CG2-O 3.25Å; T507-T563 WeakPolarHBondContact CG2-O 3.31Å; A511-T563 HydrophobicContact CB-CG2 4.09Å; N526-T563 WeakPolarHBondContact CB-O 3.27Å; R536-T563 PolarHBondContact NH1-OG1 3.12Å; R536-T563 PolarHBondContact NH2-OG1 3.41Å; S560-T563 PolarHBondContact O-N 3.5Å; S560-T563 VanDerWaalsContact O-N 3.16Å; S561-T563 PolarHBondContact O-N 3.01Å
564H94.8Very high96.3Very high0 Ų014.6 Ų14.60%08%0.081CC..  trans-141.6122.8-175.1-67.275.8000110.8N526 T530 A533 S560 S561 A569N526-H564 CarbonylContact O-C 3.53Å; N526-H564 WeakPolarHBondContact O-CA 3Å; T530-H564 PolarHBondContact O-CD2 2.95Å; T530-H564 PolarHBondContact O-NE2 3.21Å; T530-H564 PolarHBondContact OG1-NE2 3.16Å; A533-H564 HydrophobicContact CB-CB 3.88Å; S560-H564 CarbonylContact C-O 3.48Å; S560-H564 WeakPolarHBondContact CB-O 3.42Å; S560-H564 PolarHBondContact O-N 3.09Å; S561-H564 PolarHBondContact N-O 3.28Å; H564-A569 HydrophobicContact CB-CB 3.81Å
565K94.5Very high96.5Very high45 Ų4510.4 Ų10.420%0.1966%0.059CC..  trans-124.23.3177.7-69.2-177.6177.2176.10113.4V521 A522 L524 E525 N526 S561V521-K565 PolarHBondContact O-NZ 2.97Å; A522-K565 PolarHBondContact O-NZ 3.12Å; A522-K565 VanDerWaalsContact O-NZ 3.1Å; L524-K565 VanDerWaalsContact O-CD 3.29Å; L524-K565 WeakPolarHBondContact O-CD 3.05Å; L524-K565 WeakPolarHBondContact O-CE 3.36Å; L524-K565 PolarHBondContact O-NZ 2.92Å; E525-K565 WeakPolarHBondContact O-CB 3.32Å; N526-K565 HydrophobicContact CB-CG 4.35Å; N526-K565 PolarHBondContact O-N 3.35Å; S561-K565 WeakPolarHBondContact O-CE 3.38Å
566S95.8Very high96.6Very high0 Ų09 Ų90%05%0.051CC..SBendtrans-70.3148179.2700000112N527 G528 L568 A569 V570 T609N527-S566 WeakPolarHBondContact OD1-CA 3.48Å; N527-S566 VanDerWaalsContact OD1-CB 3.24Å; N527-S566 WeakPolarHBondContact OD1-CB 3.43Å; G528-S566 WeakPolarHBondContact O-CB 3.26Å; G528-S566 PolarHBondContact O-OG 3.37Å; S566-L568 PolarHBondContact O-N 3.03Å; S566-A569 PolarHBondContact O-N 2.46Å; S566-A569 WeakPolarHBondContact OG-CB 3.49Å; S566-A569 PolarHBondContact OG-N 3.34Å; S566-A569 VanDerWaalsContact OG-N 3.11Å; S566-V570 WeakPolarHBondContact O-CG2 3.44Å; S566-V570 PolarHBondContact O-N 3.05Å; S566-T609 WeakPolarHBondContact CA-OG1 3.41Å
567D96.9Very high96.6Very high8 Ų89 Ų94%0.0435%0.051CC..Hα-helixtrans-46.9-47.5171.250.16.8000113A571 Q604 R607 I608 T609 T610D567-A571 WeakPolarHBondContact O-CB 3.25Å; D567-A571 PolarHBondContact O-N 3.24Å; D567-Q604 HydrophobicContact CB-CG 4.24Å; D567-R607 WeakPolarHBondContact CB-O 3.49Å; D567-I608 WeakPolarHBondContact OD2-CA 3.33Å; D567-T609 PolarHBondContact N-OG1 3.38Å; D567-T609 PolarHBondContact OD2-N 3.22Å; D567-T610 VanDerWaalsContact OD1-CB 3.25Å; D567-T610 WeakPolarHBondContact OD1-CB 3.13Å; D567-T610 WeakPolarHBondContact OD1-CG2 3.34Å; D567-T610 PolarHBondContact OD1-N 3.43Å; D567-T610 PolarHBondContact OD1-OG1 2.88Å; D567-T610 PolarHBondContact OD2-N 3.18Å; D567-T610 PolarHBondContact OD2-OG1 3.17Å
568L97.5Very high96.5Very high2 Ų28.4 Ų8.41%0.014%0.043CC..Hα-helixtrans-68.4-45.5-177.1175.762.6000111.7V529 S566 A571 G572 S612 L615 T649 I650V529-L568 HydrophobicContact CB-CD2 3.78Å; V529-L568 HydrophobicContact CG1-CB 4.46Å; V529-L568 HydrophobicContact CG1-CD2 4.09Å; S566-L568 PolarHBondContact O-N 3.03Å; L568-A571 PolarHBondContact O-N 2.77Å; L568-G572 PolarHBondContact O-N 3.44Å; L568-S612 VanDerWaalsContact CD2-OG 3.28Å; L568-S612 WeakPolarHBondContact CD2-OG 3.41Å; L568-L615 HydrophobicContact CD1-CB 4.18Å; L568-L615 HydrophobicContact CD1-CD1 4.41Å; L568-T649 HydrophobicContact CD1-CG2 4.28Å; L568-T649 HydrophobicContact CG-CG2 4.23Å; L568-T649 WeakPolarHBondContact O-CG2 3.3Å; L568-I650 HydrophobicContact CD1-CB 4.19Å; L568-I650 HydrophobicContact CD1-CD1 3.82Å; L568-I650 HydrophobicContact CD2-CB 3.95Å
569A96.8Very high96.6Very high0 Ų05 Ų50%03%0.025CC..Hα-helixtrans-66-41.3-179.600000111.5A533 H564 S566 G572 A573A533-A569 HydrophobicContact CB-CB 4.28Å; H564-A569 HydrophobicContact CB-CB 3.81Å; S566-A569 PolarHBondContact O-N 2.46Å; S566-A569 WeakPolarHBondContact OG-CB 3.49Å; S566-A569 PolarHBondContact OG-N 3.34Å; S566-A569 VanDerWaalsContact OG-N 3.11Å; A569-G572 PolarHBondContact O-N 3.33Å; A569-A573 WeakPolarHBondContact O-CB 2.97Å; A569-A573 PolarHBondContact O-N 2.98Å
570V97.8Very high96.5Very high13 Ų134.9 Ų4.98%0.0792%0.024CC..Hα-helixtrans-63.7-46.2174173.40000110.4I553 A557 S566 G572 A573 V574I553-V570 HydrophobicContact CG2-CG1 4.35Å; A557-V570 HydrophobicContact CB-CG1 3.85Å; A557-V570 HydrophobicContact CB-CG2 4.17Å; S566-V570 WeakPolarHBondContact O-CG2 3.44Å; S566-V570 PolarHBondContact O-N 3.05Å; V570-G572 VanDerWaalsContact C-N 3.31Å; V570-G572 PolarHBondContact O-N 3.38Å; V570-A573 PolarHBondContact O-N 2.88Å; V570-A573 VanDerWaalsContact O-N 3.17Å; V570-V574 HydrophobicContact CG1-CG2 4.21Å; V570-V574 VanDerWaalsContact O-CG2 3.29Å; V570-V574 WeakPolarHBondContact O-CG2 3.47Å; V570-V574 PolarHBondContact O-N 2.79Å
571A98.3Very high96.2Very high0 Ų04.8 Ų4.80%02%0.023CC..Hα-helixtrans-59.9-40.6178.200000112.6D567 L568 V574 V575 A603 Q604 L615D567-A571 WeakPolarHBondContact O-CB 3.25Å; D567-A571 PolarHBondContact O-N 3.24Å; L568-A571 PolarHBondContact O-N 2.77Å; A571-V574 PolarHBondContact O-N 2.74Å; A571-V575 VanDerWaalsContact O-CG2 3.32Å; A571-V575 WeakPolarHBondContact O-CG2 3.35Å; A571-V575 PolarHBondContact O-N 3.13Å; A571-A603 HydrophobicContact CB-CB 4.03Å; A571-Q604 HydrophobicContact CB-CB 3.73Å; A571-Q604 HydrophobicContact CB-CG 4.37Å; A571-L615 HydrophobicContact CB-CD2 3.84Å
572G98.4Very high95.8Very high0 Ų05.9 Ų5.90%03%0.026CC..Hα-helixtrans-63-44.5174.200000112.9L568 A569 V570 V574 V575 I576L568-G572 PolarHBondContact O-N 3.44Å; A569-G572 PolarHBondContact O-N 3.33Å; V570-G572 VanDerWaalsContact C-N 3.31Å; V570-G572 PolarHBondContact O-N 3.38Å; G572-V574 VanDerWaalsContact C-N 3.34Å; G572-V574 PolarHBondContact O-N 3.27Å; G572-V575 PolarHBondContact O-N 2.91Å; G572-I576 PolarHBondContact O-N 3.14Å
573A98.3Very high95.6Very high0 Ų06.1 Ų6.10%03%0.028CC..Hα-helixtrans-63.5-40.1176.500000112.1A533 A534 V537 V556 A569 V570 I576 A577A533-A573 HydrophobicContact CB-CB 3.94Å; A534-A573 HydrophobicContact CB-CB 4.45Å; V537-A573 HydrophobicContact CB-CB 4.28Å; V537-A573 WeakPolarHBondContact CG1-O 3.43Å; V537-A573 HydrophobicContact CG2-CB 3.98Å; V556-A573 HydrophobicContact CG1-CB 3.66Å; A569-A573 WeakPolarHBondContact O-CB 2.97Å; A569-A573 PolarHBondContact O-N 2.98Å; V570-A573 PolarHBondContact O-N 2.88Å; V570-A573 VanDerWaalsContact O-N 3.17Å; A573-I576 PolarHBondContact O-N 2.72Å; A573-A577 WeakPolarHBondContact O-CB 3.16Å; A573-A577 PolarHBondContact O-N 3.21Å
574V98.5Very high95.2Very high0 Ų08.2 Ų8.20%04%0.038CC..Hα-helixtrans-62.1-44.2175.7170.90000110.7F552 I553 V556 V570 A571 G572 I576 A577 W578 I599 A603F552-V574 HydrophobicContact CD1-CG1 4.26Å; F552-V574 HydrophobicContact CE1-CG1 4.37Å; I553-V574 HydrophobicContact CB-CG2 4.33Å; I553-V574 HydrophobicContact CG1-CG1 3.99Å; I553-V574 HydrophobicContact CG1-CG2 3.95Å; I553-V574 HydrophobicContact CG2-CG2 4.33Å; V556-V574 HydrophobicContact CB-CG2 3.78Å; V556-V574 HydrophobicContact CG1-CG2 3.65Å; V556-V574 HydrophobicContact CG2-CG2 4.23Å; V570-V574 HydrophobicContact CG1-CG2 4.21Å; V570-V574 VanDerWaalsContact O-CG2 3.29Å; V570-V574 WeakPolarHBondContact O-CG2 3.47Å; V570-V574 PolarHBondContact O-N 2.79Å; A571-V574 PolarHBondContact O-N 2.74Å; G572-V574 VanDerWaalsContact C-N 3.34Å; G572-V574 PolarHBondContact O-N 3.27Å; V574-I576 VanDerWaalsContact C-N 3.35Å; V574-I576 PolarHBondContact O-N 2.6Å; V574-A577 PolarHBondContact O-N 3.36Å; V574-W578 WeakPolarHBondContact O-CB 3.41Å; V574-W578 PolarHBondContact O-N 2.9Å; V574-I599 HydrophobicContact CG1-CG2 3.67Å; V574-A603 HydrophobicContact CB-CB 3.97Å; V574-A603 HydrophobicContact CG1-CB 3.96Å; V574-A603 HydrophobicContact CG2-CB 4.08Å
575V98.5Very high94.2Very high0 Ų09.2 Ų9.20%04%0.044CC..Hα-helixtrans-57.2-46.9178.8166.40000111.8A571 G572 A579 L596 A600 L615 L619 V653 I657A571-V575 VanDerWaalsContact O-CG2 3.32Å; A571-V575 WeakPolarHBondContact O-CG2 3.35Å; A571-V575 PolarHBondContact O-N 3.13Å; G572-V575 PolarHBondContact O-N 2.91Å; V575-A579 WeakPolarHBondContact O-CB 3.4Å; V575-A579 PolarHBondContact O-N 3.43Å; V575-L596 HydrophobicContact CG1-CD1 4.18Å; V575-L596 HydrophobicContact CG1-CD2 4.35Å; V575-A600 HydrophobicContact CG2-CB 3.52Å; V575-L615 HydrophobicContact CG2-CD2 4.14Å; V575-L619 HydrophobicContact CG1-CD1 4.3Å; V575-L619 HydrophobicContact CG2-CD1 4.09Å; V575-V653 HydrophobicContact CB-CG1 4.11Å; V575-V653 HydrophobicContact CG1-CG1 3.82Å; V575-I657 HydrophobicContact CG1-CD1 4.11Å; V575-I657 HydrophobicContact CG1-CG1 3.98Å
576I98.1Very high93.1Very high1 Ų19 Ų91%0.0055%0.054CC..Hα-helixtrans-69.8-49-179.3-59.2-57.1000111.1A534 V537 G572 A573 V574 W578 A579 I580 V653 I657 M687 I691A534-I576 HydrophobicContact CB-CG1 4.27Å; V537-I576 HydrophobicContact CG1-CB 3.78Å; V537-I576 HydrophobicContact CG1-CG2 3.74Å; G572-I576 PolarHBondContact O-N 3.14Å; A573-I576 PolarHBondContact O-N 2.72Å; V574-I576 VanDerWaalsContact C-N 3.35Å; V574-I576 PolarHBondContact O-N 2.6Å; I576-W578 VanDerWaalsContact C-N 3.31Å; I576-W578 PolarHBondContact O-N 2.93Å; I576-A579 PolarHBondContact O-N 3.04Å; I576-I580 HydrophobicContact CG2-CD1 3.82Å; I576-I580 WeakPolarHBondContact O-CD1 3.32Å; I576-I580 WeakPolarHBondContact O-CG1 3.41Å; I576-I580 PolarHBondContact O-N 2.84Å; I576-V653 HydrophobicContact CD1-CG1 4.1Å; I576-V653 HydrophobicContact CG1-CG1 4.32Å; I576-V653 HydrophobicContact CG1-CG2 4.36Å; I576-I657 HydrophobicContact CD1-CD1 3.98Å; I576-I657 HydrophobicContact CD1-CG1 4.42Å; I576-M687 HydrophobicContact CD1-CB 4.03Å; I576-M687 HydrophobicContact CD1-CG 4.45Å; I576-M687 HydrophobicContact CD1-SD 4.13Å; I576-M687 HydrophobicContact CG1-CB 4.38Å; I576-M687 HydrophobicContact CG1-CG 4.28Å; I576-M687 HydrophobicContact CG1-SD 3.81Å; I576-M687 HydrophobicContact CG2-CB 4.4Å; I576-M687 HydrophobicContact CG2-CG 4.42Å; I576-I691 HydrophobicContact CD1-CD1 4.07Å
577A96.7Very high92.3Very high0 Ų011.7 Ų11.70%07%0.067CC..Hα-helixtrans-61.5-39.7179.100000112.1V537 G541 F552 V556 A573 V574 I580 S581V537-A577 HydrophobicContact CG1-CB 4.04Å; V537-A577 HydrophobicContact CG2-CB 3.87Å; G541-A577 VanDerWaalsContact CA-O 3.31Å; G541-A577 WeakPolarHBondContact CA-O 3.27Å; F552-A577 HydrophobicContact CE1-CB 3.9Å; F552-A577 HydrophobicContact CZ-CB 3.79Å; V556-A577 HydrophobicContact CG2-CB 4.14Å; A573-A577 WeakPolarHBondContact O-CB 3.16Å; A573-A577 PolarHBondContact O-N 3.21Å; V574-A577 PolarHBondContact O-N 3.36Å; A577-I580 PolarHBondContact O-N 3.23Å; A577-S581 PolarHBondContact O-N 3.32Å
578W96.2Very high91.7Very high18 Ų1814.4 Ų14.47%0.0689%0.087CC..Hα-helixtrans-65.2-46.5177.8-172.2-85.5000111.2A546 V549 F552 V574 I576 I580 S581 R582 I599A546-W578 HydrophobicContact CB-CD2 4.03Å; A546-W578 HydrophobicContact CB-CE3 3.85Å; A546-W578 HydrophobicContact CB-CH2 3.89Å; A546-W578 HydrophobicContact CB-CZ2 4.08Å; A546-W578 HydrophobicContact CB-CZ3 3.78Å; V549-W578 HydrophobicContact CB-CH2 4.41Å; V549-W578 HydrophobicContact CB-CZ3 4.43Å; V549-W578 HydrophobicContact CG2-CH2 3.56Å; V549-W578 HydrophobicContact CG2-CZ2 4.27Å; V549-W578 HydrophobicContact CG2-CZ3 4.05Å; F552-W578 HydrophobicContact CB-CE3 4.36Å; F552-W578 HydrophobicContact CB-CZ3 4.02Å; F552-W578 AromaticContact CD1-CE3 3.69Å; F552-W578 HydrophobicContact CD1-CE3 3.69Å; F552-W578 HydrophobicContact CD1-CZ3 4.22Å; F552-W578 HydrophobicContact CD2-CE3 4.1Å; F552-W578 HydrophobicContact CD2-CZ3 4.21Å; F552-W578 HydrophobicContact CE1-CB 4.11Å; F552-W578 AromaticContact CE1-CE3 3.92Å; F552-W578 HydrophobicContact CE1-CE3 3.92Å; F552-W578 HydrophobicContact CE2-CE3 4.31Å; F552-W578 AromaticContact CG-CE3 3.79Å; F552-W578 HydrophobicContact CG-CE3 3.79Å; F552-W578 AromaticContact CG-CZ3 3.9Å; F552-W578 HydrophobicContact CG-CZ3 3.9Å; F552-W578 HydrophobicContact CZ-CB 4.33Å; F552-W578 HydrophobicContact CZ-CE3 4.23Å; V574-W578 WeakPolarHBondContact O-CB 3.41Å; V574-W578 PolarHBondContact O-N 2.9Å; I576-W578 VanDerWaalsContact C-N 3.31Å; I576-W578 PolarHBondContact O-N 2.93Å; W578-I580 VanDerWaalsContact C-N 3.27Å; W578-I580 PolarHBondContact O-N 3.32Å; W578-S581 PolarHBondContact O-N 3.43Å; W578-R582 HydrophobicContact CG-CG 4.43Å; W578-R582 WeakPolarHBondContact O-CB 3.31Å; W578-R582 WeakPolarHBondContact O-CG 3.18Å; W578-R582 PolarHBondContact O-N 3.44Å; W578-I599 HydrophobicContact CB-CG2 4.28Å; W578-I599 HydrophobicContact CD2-CD1 4.17Å; W578-I599 HydrophobicContact CD2-CG1 4.21Å; W578-I599 HydrophobicContact CD2-CG2 4.09Å; W578-I599 HydrophobicContact CE3-CG2 4.42Å; W578-I599 HydrophobicContact CG-CG1 4.36Å; W578-I599 HydrophobicContact CG-CG2 4.02Å; W578-I599 HydrophobicContact CH2-CD1 4.15Å; W578-I599 HydrophobicContact CZ2-CD1 3.72Å; W578-I599 HydrophobicContact CZ2-CG1 4.36Å
579A96.7Very high91.5Very high0 Ų015.5 Ų15.50%09%0.09CC..Hα-helixtrans-56.8-43.6176.200000111.8V575 I576 A583 I592 L596 I691V575-A579 WeakPolarHBondContact O-CB 3.4Å; V575-A579 PolarHBondContact O-N 3.43Å; I576-A579 PolarHBondContact O-N 3.04Å; A579-A583 VanDerWaalsContact O-CB 3.28Å; A579-A583 WeakPolarHBondContact O-CB 3.3Å; A579-A583 PolarHBondContact O-N 3.1Å; A579-I592 HydrophobicContact CB-CG2 3.91Å; A579-L596 HydrophobicContact CB-CD1 4.46Å; A579-L596 HydrophobicContact CB-CD2 4.16Å; A579-I691 HydrophobicContact CB-CD1 3.93Å; A579-I691 HydrophobicContact CB-CG1 4.07Å; A579-I691 HydrophobicContact CB-CG2 4.46Å
580I94.8Very high91.2Very high0 Ų018.9 Ų18.90%011%0.114CC..Hα-helixtrans-64.7-49.4176.4-71.7159.5000111.5L409 I576 A577 W578 R582 A583 I584 A690 I691 A694L409-I580 HydrophobicContact CD1-CB 4.45Å; L409-I580 HydrophobicContact CD1-CG1 4.32Å; L409-I580 HydrophobicContact CD1-CG2 3.43Å; L409-I580 VanDerWaalsContact CD1-CG2 3.43Å; L409-I580 HydrophobicContact CD2-CD1 4.05Å; L409-I580 HydrophobicContact CD2-CG1 4.45Å; L409-I580 HydrophobicContact CD2-CG2 3.77Å; L409-I580 HydrophobicContact CG-CG2 4.24Å; I576-I580 HydrophobicContact CG2-CD1 3.82Å; I576-I580 WeakPolarHBondContact O-CD1 3.32Å; I576-I580 WeakPolarHBondContact O-CG1 3.41Å; I576-I580 PolarHBondContact O-N 2.84Å; A577-I580 PolarHBondContact O-N 3.23Å; W578-I580 VanDerWaalsContact C-N 3.27Å; W578-I580 PolarHBondContact O-N 3.32Å; I580-R582 VanDerWaalsContact C-N 3.33Å; I580-R582 PolarHBondContact O-N 3.03Å; I580-A583 WeakPolarHBondContact O-CB 3.4Å; I580-A583 PolarHBondContact O-N 2.83Å; I580-I584 HydrophobicContact CG2-CD1 3.84Å; I580-I584 WeakPolarHBondContact O-CG1 3.14Å; I580-I584 PolarHBondContact O-N 3.14Å; I580-A690 HydrophobicContact CD1-CB 4.14Å; I580-I691 HydrophobicContact CG1-CG1 3.98Å; I580-A694 HydrophobicContact CG1-CB 4.49Å; I580-A694 HydrophobicContact CG2-CB 4.26Å
581S91Very high90.6Very high0 Ų020 Ų200%012%0.124CC..Hα-helixtrans-59.6-45.3-179.9174.20000111.3G541 L544 A546 A577 W578 A583 I584 D585 R728G541-S581 VanDerWaalsContact O-CA 3.3Å; G541-S581 WeakPolarHBondContact O-CA 3.3Å; G541-S581 WeakPolarHBondContact O-CB 3.44Å; L544-S581 WeakPolarHBondContact O-CB 3.31Å; L544-S581 PolarHBondContact O-OG 2.63Å; A546-S581 WeakPolarHBondContact CB-OG 3.46Å; A546-S581 PolarHBondContact N-OG 3.17Å; A577-S581 PolarHBondContact O-N 3.32Å; W578-S581 PolarHBondContact O-N 3.43Å; S581-A583 VanDerWaalsContact C-N 3.31Å; S581-A583 PolarHBondContact O-N 3.42Å; S581-I584 PolarHBondContact O-N 3.05Å; S581-D585 VanDerWaalsContact O-CG 3.23Å; S581-D585 PolarHBondContact O-N 2.92Å; S581-R728 PolarHBondContact OG-NH1 2.65Å; S581-R728 PolarHBondContact OG-NH2 3.46Å
582R87.1Confident90.3Very high36 Ų3620 Ų2014%0.13612%0.124CC..Hα-helixtrans-65.6-35.3178.9-68.6-48.6-45.5136.823.5112.5A546 W578 I580 D585 G586 E587 I592A546-R582 HydrophobicContact CB-CG 4.3Å; W578-R582 HydrophobicContact CG-CG 4.43Å; W578-R582 WeakPolarHBondContact O-CB 3.31Å; W578-R582 WeakPolarHBondContact O-CG 3.18Å; W578-R582 PolarHBondContact O-N 3.44Å; I580-R582 VanDerWaalsContact C-N 3.33Å; I580-R582 PolarHBondContact O-N 3.03Å; R582-D585 IonicContact CZ-OD2 3.49Å; R582-D585 IonicContact NH1-OD2 3.55Å; R582-D585 PolarHBondContact NH1-OD2 3.12Å; R582-D585 IonicContact NH2-OD2 2.69Å; R582-D585 CarbonylContact O-C 3.54Å; R582-D585 PolarHBondContact O-N 2.72Å; R582-G586 PolarHBondContact O-N 3.46Å; R582-E587 HydrophobicContact CB-CB 4.35Å; R582-E587 WeakPolarHBondContact CB-OE2 3.49Å; R582-E587 WeakPolarHBondContact CG-OE2 3.43Å; R582-E587 IonicContact CZ-OE2 3.81Å; R582-E587 IonicContact NE-OE2 3.19Å; R582-E587 PolarHBondContact NE-OE2 3.28Å; R582-E587 IonicContact NH2-OE2 2.82Å; R582-E587 PolarHBondContact NH2-OE2 3.17Å; R582-E587 VanDerWaalsContact O-CB 3.29Å; R582-E587 WeakPolarHBondContact O-CB 3.28Å; R582-E587 PolarHBondContact O-N 2.99Å; R582-I592 HydrophobicContact CB-CD1 3.9Å; R582-I592 HydrophobicContact CB-CG1 3.7Å
583A89Confident90.1Very high6 Ų620 Ų205%0.0512%0.124CC..Hα-helixtrans-66.3-41.2174.600000112.2A579 I580 S581 D585 G586 I592 A694 L695A579-A583 VanDerWaalsContact O-CB 3.28Å; A579-A583 WeakPolarHBondContact O-CB 3.3Å; A579-A583 PolarHBondContact O-N 3.1Å; I580-A583 WeakPolarHBondContact O-CB 3.4Å; I580-A583 PolarHBondContact O-N 2.83Å; S581-A583 VanDerWaalsContact C-N 3.31Å; S581-A583 PolarHBondContact O-N 3.42Å; A583-D585 VanDerWaalsContact C-N 3.29Å; A583-D585 PolarHBondContact O-N 3.43Å; A583-G586 WeakPolarHBondContact O-CA 3.19Å; A583-G586 PolarHBondContact O-N 2.87Å; A583-I592 HydrophobicContact CB-CD1 3.86Å; A583-A694 HydrophobicContact CB-CB 3.54Å; A583-L695 HydrophobicContact CB-CD2 3.62Å; A583-L695 HydrophobicContact CB-CG 3.76Å
584I82.5Confident89.9Confident43 Ų4324.8 Ų24.822%0.22115%0.15CC..Hα-helixtrans-62-40.3172.9-70.9168.7000110.8L409 C542 I580 S581 G586 A694L409-I584 HydrophobicContact CD1-CD1 4.43Å; C542-I584 HydrophobicContact CB-CD1 4.03Å; I580-I584 HydrophobicContact CG2-CD1 3.84Å; I580-I584 WeakPolarHBondContact O-CG1 3.14Å; I580-I584 PolarHBondContact O-N 3.14Å; S581-I584 PolarHBondContact O-N 3.05Å; I584-G586 PolarHBondContact O-N 2.77Å; I584-A694 HydrophobicContact CG1-CB 4.45Å
585D74.7Confident89.6Confident21 Ų2126.2 Ų26.211%0.11216%0.16CC..THydrogen-bonded Turntrans-67.11.4172.2-64.7-23.4000112.4S581 R582 A583 E587 R728 R1027S581-D585 VanDerWaalsContact O-CG 3.23Å; S581-D585 PolarHBondContact O-N 2.92Å; R582-D585 IonicContact CZ-OD2 3.49Å; R582-D585 IonicContact NH1-OD2 3.55Å; R582-D585 PolarHBondContact NH1-OD2 3.12Å; R582-D585 IonicContact NH2-OD2 2.69Å; R582-D585 CarbonylContact O-C 3.54Å; R582-D585 PolarHBondContact O-N 2.72Å; A583-D585 VanDerWaalsContact C-N 3.29Å; A583-D585 PolarHBondContact O-N 3.43Å; D585-E587 VanDerWaalsContact C-N 3.35Å; D585-E587 PolarHBondContact O-N 2.91Å; D585-R728 VanDerWaalsContact CG-NH2 3.26Å; D585-R728 IonicContact OD1-CZ 3.78Å; D585-R728 IonicContact OD1-NE 2.7Å; D585-R728 IonicContact OD1-NH2 2.85Å; D585-R728 PolarHBondContact OD1-NH2 2.95Å; D585-R728 IonicContact OD2-NH2 3.28Å; D585-R728 PolarHBondContact OD2-NH2 3.48Å; D585-R1027 PolarHBondContact O-NH1 2.86Å; D585-R1027 PolarHBondContact O-NH2 2.89Å
586G72.3Confident89.5Confident40 Ų4026.2 Ų26.241%0.41216%0.16SC..THydrogen-bonded Turntrans7618.6174.800000114.4R582 A583 I584R582-G586 PolarHBondContact O-N 3.46Å; A583-G586 WeakPolarHBondContact O-CA 3.19Å; A583-G586 PolarHBondContact O-N 2.87Å; I584-G586 PolarHBondContact O-N 2.77Å
587E79Confident89.5Confident58 Ų5827 Ų2727%0.27117%0.165SC..  trans-71.1144.6174-170.3165.9-146.900111.4R582 D585 A591 I592R582-E587 HydrophobicContact CB-CB 4.35Å; R582-E587 WeakPolarHBondContact CB-OE2 3.49Å; R582-E587 WeakPolarHBondContact CG-OE2 3.43Å; R582-E587 IonicContact CZ-OE2 3.81Å; R582-E587 IonicContact NE-OE2 3.19Å; R582-E587 PolarHBondContact NE-OE2 3.28Å; R582-E587 IonicContact NH2-OE2 2.82Å; R582-E587 PolarHBondContact NH2-OE2 3.17Å; R582-E587 VanDerWaalsContact O-CB 3.29Å; R582-E587 WeakPolarHBondContact O-CB 3.28Å; R582-E587 PolarHBondContact O-N 2.99Å; D585-E587 VanDerWaalsContact C-N 3.35Å; D585-E587 PolarHBondContact O-N 2.91Å; E587-A591 HydrophobicContact CG-CB 3.68Å; E587-A591 WeakPolarHBondContact OE1-CB 3.45Å; E587-I592 HydrophobicContact CB-CD1 4.21Å; E587-I592 HydrophobicContact CB-CG1 3.95Å; E587-I592 HydrophobicContact CG-CG1 3.93Å
588S82.6Confident89.5Confident65 Ų6530.1 Ų30.146%0.45519%0.187SC..  trans-68144177.769.60000110.7S590 A591 I592S588-S590 PolarHBondContact O-N 3.44Å; S588-S590 VanDerWaalsContact O-N 3.07Å; S588-S590 PolarHBondContact OG-OG 3.05Å; S588-A591 PolarHBondContact O-N 3.46Å; S588-I592 WeakPolarHBondContact O-CG1 3.43Å; S588-I592 PolarHBondContact O-N 2.74Å
589W94Very high89.5Confident24 Ų2429.9 Ų29.99%0.09119%0.187CC..Hα-helixtrans-52.3-35.5176.6174.7-113.9000113.2A591 I592 V593 I657 V660 E661 T665 I691 L695W589-A591 PolarHBondContact O-N 3.39Å; W589-I592 HydrophobicContact CE3-CB 4.21Å; W589-I592 HydrophobicContact CE3-CG2 4.14Å; W589-I592 HydrophobicContact CZ3-CG2 4.02Å; W589-I592 PolarHBondContact O-N 3.12Å; W589-V593 HydrophobicContact CD2-CB 4.27Å; W589-V593 HydrophobicContact CH2-CB 4.24Å; W589-V593 HydrophobicContact CH2-CG2 4.17Å; W589-V593 HydrophobicContact CZ2-CB 3.86Å; W589-V593 HydrophobicContact CZ2-CG2 3.68Å; W589-V593 WeakPolarHBondContact O-CB 3.32Å; W589-V593 VanDerWaalsContact O-CG1 3.25Å; W589-V593 WeakPolarHBondContact O-CG1 3.48Å; W589-V593 PolarHBondContact O-N 3.3Å; W589-I657 HydrophobicContact CH2-CD1 4.33Å; W589-I657 HydrophobicContact CH2-CG2 4.17Å; W589-I657 HydrophobicContact CZ2-CG2 4.4Å; W589-V660 HydrophobicContact CD2-CG1 3.94Å; W589-V660 HydrophobicContact CE3-CG1 4.06Å; W589-V660 HydrophobicContact CH2-CB 3.78Å; W589-V660 HydrophobicContact CH2-CG1 3.59Å; W589-V660 HydrophobicContact CH2-CG2 4.42Å; W589-V660 HydrophobicContact CZ2-CB 3.63Å; W589-V660 HydrophobicContact CZ2-CG1 3.46Å; W589-V660 VanDerWaalsContact CZ2-CG1 3.46Å; W589-V660 HydrophobicContact CZ3-CG1 3.91Å; W589-E661 HydrophobicContact CZ2-CB 4.48Å; W589-E661 PolarHBondContact NE1-OE2 3.31Å; W589-T665 HydrophobicContact CB-CG2 3.65Å; W589-T665 VanDerWaalsContact CD1-CG2 3.45Å; W589-T665 HydrophobicContact CD2-CG2 4.01Å; W589-T665 HydrophobicContact CG-CG2 3.38Å; W589-I691 HydrophobicContact CE3-CG2 4.11Å; W589-I691 HydrophobicContact CH2-CG2 4.29Å; W589-I691 HydrophobicContact CZ3-CG2 3.57Å; W589-L695 HydrophobicContact CB-CD1 4.09Å; W589-L695 HydrophobicContact CB-CD2 4.32Å; W589-L695 HydrophobicContact CD2-CD1 4.27Å; W589-L695 HydrophobicContact CE3-CD1 3.92Å; W589-L695 HydrophobicContact CG-CD1 4.36Å
590S90.5Very high89.5Confident71 Ų7129.9 Ų29.950%0.49719%0.187SC..Hα-helixtrans-59.7-42.517661.10000113.2S588 V593 D594S588-S590 PolarHBondContact O-N 3.44Å; S588-S590 VanDerWaalsContact O-N 3.07Å; S588-S590 PolarHBondContact OG-OG 3.05Å; S590-V593 WeakPolarHBondContact O-CG1 3.24Å; S590-D594 WeakPolarHBondContact O-CB 3.28Å; S590-D594 VanDerWaalsContact O-CG 3.22Å; S590-D594 PolarHBondContact O-N 3.22Å
591A85.3Confident89.7Confident36 Ų3635.1 Ų35.130%0.29821%0.207SC..Hα-helixtrans-74.6-39.817900000110.9E587 S588 W589 S595E587-A591 HydrophobicContact CG-CB 3.68Å; E587-A591 WeakPolarHBondContact OE1-CB 3.45Å; S588-A591 PolarHBondContact O-N 3.46Å; W589-A591 PolarHBondContact O-N 3.39Å; A591-S595 PolarHBondContact O-N 2.77Å
592I91.2Very high89.9Confident0 Ų039 Ų390%023%0.225CC..Hα-helixtrans-56.5-58.6174.2-62.5174.9000109.9A579 R582 A583 E587 S588 W589 D594 S595 L596 L695A579-I592 HydrophobicContact CB-CG2 3.91Å; R582-I592 HydrophobicContact CB-CD1 3.9Å; R582-I592 HydrophobicContact CB-CG1 3.7Å; A583-I592 HydrophobicContact CB-CD1 3.86Å; E587-I592 HydrophobicContact CB-CD1 4.21Å; E587-I592 HydrophobicContact CB-CG1 3.95Å; E587-I592 HydrophobicContact CG-CG1 3.93Å; S588-I592 WeakPolarHBondContact O-CG1 3.43Å; S588-I592 PolarHBondContact O-N 2.74Å; W589-I592 HydrophobicContact CE3-CB 4.21Å; W589-I592 HydrophobicContact CE3-CG2 4.14Å; W589-I592 HydrophobicContact CZ3-CG2 4.02Å; W589-I592 PolarHBondContact O-N 3.12Å; I592-D594 VanDerWaalsContact C-N 3.3Å; I592-D594 PolarHBondContact O-N 3.2Å; I592-S595 PolarHBondContact O-N 3.44Å; I592-S595 PolarHBondContact O-OG 2.99Å; I592-L596 HydrophobicContact CG2-CD2 4.32Å; I592-L596 WeakPolarHBondContact O-CG 3.04Å; I592-L596 PolarHBondContact O-N 3.39Å; I592-L695 HydrophobicContact CD1-CD2 3.97Å
593V95.9Very high90.4Very high0 Ų037.5 Ų37.50%022%0.22CC..Hα-helixtrans-63.5-34.5-172.576.40000112.6W589 S590 S595 L596 L623 I657W589-V593 HydrophobicContact CD2-CB 4.27Å; W589-V593 HydrophobicContact CH2-CB 4.24Å; W589-V593 HydrophobicContact CH2-CG2 4.17Å; W589-V593 HydrophobicContact CZ2-CB 3.86Å; W589-V593 HydrophobicContact CZ2-CG2 3.68Å; W589-V593 WeakPolarHBondContact O-CB 3.32Å; W589-V593 VanDerWaalsContact O-CG1 3.25Å; W589-V593 WeakPolarHBondContact O-CG1 3.48Å; W589-V593 PolarHBondContact O-N 3.3Å; S590-V593 WeakPolarHBondContact O-CG1 3.24Å; V593-S595 VanDerWaalsContact C-N 3.31Å; V593-S595 PolarHBondContact O-N 3.44Å; V593-L596 PolarHBondContact O-N 2.89Å; V593-L623 HydrophobicContact CG2-CD1 3.7Å; V593-L623 HydrophobicContact CG2-CD2 3.44Å; V593-L623 VanDerWaalsContact CG2-CD2 3.44Å; V593-L623 HydrophobicContact CG2-CG 4.22Å; V593-I657 HydrophobicContact CG2-CG2 4.08Å
594D92.6Very high90.9Very high102 Ų10238 Ų3855%0.54522%0.222SC..Hα-helixtrans-72.2-25.2177.6-74.5-11.2000112.1S590 I592 R627S590-D594 WeakPolarHBondContact O-CB 3.28Å; S590-D594 VanDerWaalsContact O-CG 3.22Å; S590-D594 PolarHBondContact O-N 3.22Å; I592-D594 VanDerWaalsContact C-N 3.3Å; I592-D594 PolarHBondContact O-N 3.2Å; D594-R627 IonicContact OD1-CZ 3.84Å; D594-R627 IonicContact OD1-NH1 3.77Å; D594-R627 IonicContact OD1-NH2 3.02Å; D594-R627 PolarHBondContact OD1-NH2 2.81Å
595S92.1Very high91.5Very high30 Ų3041.9 Ų41.921%0.2124%0.239CC..Hα-helixtrans-80.8-26.6175.478.50000113.9A591 I592 V593 S598 I599A591-S595 PolarHBondContact O-N 2.77Å; I592-S595 PolarHBondContact O-N 3.44Å; I592-S595 PolarHBondContact O-OG 2.99Å; V593-S595 VanDerWaalsContact C-N 3.31Å; V593-S595 PolarHBondContact O-N 3.44Å; S595-S598 PolarHBondContact O-N 3.15Å; S595-S598 VanDerWaalsContact O-N 3.13Å; S595-S598 PolarHBondContact O-OG 2.9Å; S595-I599 PolarHBondContact O-N 3.41Å
596L97.7Very high92.5Very high0 Ų044.5 Ų44.50%025%0.249CC..Hα-helixtrans-57.2-39-170.7-63.2-179000115V575 A579 I592 V593 S598 I599 A600 L619 I657V575-L596 HydrophobicContact CG1-CD1 4.18Å; V575-L596 HydrophobicContact CG1-CD2 4.35Å; A579-L596 HydrophobicContact CB-CD1 4.46Å; A579-L596 HydrophobicContact CB-CD2 4.16Å; I592-L596 HydrophobicContact CG2-CD2 4.32Å; I592-L596 WeakPolarHBondContact O-CG 3.04Å; I592-L596 PolarHBondContact O-N 3.39Å; V593-L596 PolarHBondContact O-N 2.89Å; L596-S598 VanDerWaalsContact C-N 3.33Å; L596-S598 PolarHBondContact O-N 2.67Å; L596-I599 PolarHBondContact O-N 3.37Å; L596-A600 VanDerWaalsContact O-CB 3.27Å; L596-A600 WeakPolarHBondContact O-CB 3.38Å; L596-A600 PolarHBondContact O-N 3.45Å; L596-L619 HydrophobicContact CB-CD1 4.47Å; L596-I657 HydrophobicContact CD1-CD1 3.62Å; L596-I657 HydrophobicContact CD1-CG1 4.02Å; L596-I657 HydrophobicContact CD1-CG2 3.81Å
597P97.8Very high93.4Very high16 Ų1651.3 Ų51.310%0.10426%0.262CS..Hα-helixtrans-62.3-35.4178.3-25.636.1000114R601 A616 E620P597-R601 WeakPolarHBondContact O-CB 3.35Å; P597-R601 PolarHBondContact O-N 3.42Å; P597-R601 VanDerWaalsContact O-N 3.15Å; P597-A616 HydrophobicContact CB-CB 4.29Å; P597-A616 WeakPolarHBondContact O-CB 3.09Å; P597-E620 HydrophobicContact CB-CG 4.05Å; P597-E620 HydrophobicContact CG-CG 4Å
598S95.7Very high94.2Very high67 Ų6754.3 Ų54.347%0.46928%0.279SS..Hα-helixtrans-71.5-43.3177.865.80000110.8S595 L596 R601 H602S595-S598 PolarHBondContact O-N 3.15Å; S595-S598 VanDerWaalsContact O-N 3.13Å; S595-S598 PolarHBondContact O-OG 2.9Å; L596-S598 VanDerWaalsContact C-N 3.33Å; L596-S598 PolarHBondContact O-N 2.67Å; S598-R601 PolarHBondContact O-N 2.95Å; S598-H602 PolarHBondContact O-N 3.26Å
599I96.4Very high94.7Very high12 Ų1253.6 Ų53.66%0.06227%0.272CS..Hα-helixtrans-61.3-46.7176.1-61.2-60.7000111.3V549 V574 W578 S595 L596 R601 H602 A603V549-I599 HydrophobicContact CG1-CD1 4.04Å; V549-I599 HydrophobicContact CG2-CD1 3.85Å; V574-I599 HydrophobicContact CG1-CG2 3.67Å; W578-I599 HydrophobicContact CB-CG2 4.28Å; W578-I599 HydrophobicContact CD2-CD1 4.17Å; W578-I599 HydrophobicContact CD2-CG1 4.21Å; W578-I599 HydrophobicContact CD2-CG2 4.09Å; W578-I599 HydrophobicContact CE3-CG2 4.42Å; W578-I599 HydrophobicContact CG-CG1 4.36Å; W578-I599 HydrophobicContact CG-CG2 4.02Å; W578-I599 HydrophobicContact CH2-CD1 4.15Å; W578-I599 HydrophobicContact CZ2-CD1 3.72Å; W578-I599 HydrophobicContact CZ2-CG1 4.36Å; S595-I599 PolarHBondContact O-N 3.41Å; L596-I599 PolarHBondContact O-N 3.37Å; I599-R601 VanDerWaalsContact C-N 3.3Å; I599-R601 PolarHBondContact O-N 3.49Å; I599-H602 PolarHBondContact O-N 2.89Å; I599-A603 WeakPolarHBondContact O-CB 3.41Å; I599-A603 PolarHBondContact O-N 3.03Å
600A97.7Very high94.7Very high0 Ų053.8 Ų53.80%028%0.276CS..Hα-helixtrans-58.4-42.7177.100000112.1V575 L596 Q604 L615 A616 L619V575-A600 HydrophobicContact CG2-CB 3.52Å; L596-A600 VanDerWaalsContact O-CB 3.27Å; L596-A600 WeakPolarHBondContact O-CB 3.38Å; L596-A600 PolarHBondContact O-N 3.45Å; A600-Q604 WeakPolarHBondContact O-CB 3.4Å; A600-Q604 PolarHBondContact O-N 3.38Å; A600-L615 HydrophobicContact CB-CB 4.49Å; A600-L615 HydrophobicContact CB-CD2 4.22Å; A600-L615 HydrophobicContact CB-CG 4.25Å; A600-A616 HydrophobicContact CB-CB 4.25Å; A600-L619 HydrophobicContact CB-CD1 3.72Å
601R97.9Very high94.8Very high111 Ų11160.6 Ų60.642%0.41930%0.297SS..Hα-helixtrans-64.7-47.7178.4-173.8-176.5-56.8158.45.5111P597 S598 I599 Q604 Q605 A616 E620P597-R601 WeakPolarHBondContact O-CB 3.35Å; P597-R601 PolarHBondContact O-N 3.42Å; P597-R601 VanDerWaalsContact O-N 3.15Å; S598-R601 PolarHBondContact O-N 2.95Å; I599-R601 VanDerWaalsContact C-N 3.3Å; I599-R601 PolarHBondContact O-N 3.49Å; R601-Q604 PolarHBondContact O-N 3.02Å; R601-Q605 HydrophobicContact CG-CG 4.41Å; R601-Q605 VanDerWaalsContact O-CB 3.28Å; R601-Q605 WeakPolarHBondContact O-CB 3.46Å; R601-Q605 VanDerWaalsContact O-CG 3.25Å; R601-Q605 WeakPolarHBondContact O-CG 3.42Å; R601-Q605 PolarHBondContact O-N 3.01Å; R601-A616 HydrophobicContact CB-CB 3.95Å; R601-E620 IonicContact NH2-OE1 3.33Å
602H97.1Very high95.2Very high81 Ų8160.6 Ų60.638%0.37529%0.294SS..Hα-helixtrans-60.9-47.6179.6-164.576.8000110.9D550 I553 S598 I599 Q604 Q605 K606D550-H602 IonicContact OD1-CD2 3.65Å; D550-H602 IonicContact OD1-NE2 3.84Å; D550-H602 PolarHBondContact OD1-NE2 3.07Å; D550-H602 IonicContact OD2-NE2 3.05Å; I553-H602 VanDerWaalsContact CD1-CD2 3.46Å; I553-H602 WeakPolarHBondContact CD1-CD2 3.43Å; S598-H602 PolarHBondContact O-N 3.26Å; I599-H602 PolarHBondContact O-N 2.89Å; H602-Q604 PolarHBondContact O-N 2.87Å; H602-Q605 PolarHBondContact O-N 3.42Å; H602-K606 WeakPolarHBondContact O-CB 3.42Å; H602-K606 PolarHBondContact O-N 2.8Å
603A97.4Very high95.4Very high4 Ų463.2 Ų63.23%0.03332%0.316CS..Hα-helixtrans-60.6-45.4177.500000113.3I553 A571 V574 I599 Q605I553-A603 HydrophobicContact CD1-CB 3.92Å; I553-A603 HydrophobicContact CG1-CB 3.94Å; I553-A603 HydrophobicContact CG2-CB 4.46Å; A571-A603 HydrophobicContact CB-CB 4.03Å; V574-A603 HydrophobicContact CB-CB 3.97Å; V574-A603 HydrophobicContact CG1-CB 3.96Å; V574-A603 HydrophobicContact CG2-CB 4.08Å; I599-A603 WeakPolarHBondContact O-CB 3.41Å; I599-A603 PolarHBondContact O-N 3.03Å; A603-Q605 PolarHBondContact O-N 2.8Å
604Q97.8Very high95.4Very high18 Ų1865.6 Ų65.68%0.08433%0.333CS..Hα-helixtrans-68.4-35179.6-166.31776.200112.1D567 A571 A600 R601 H602 A613D567-Q604 HydrophobicContact CB-CG 4.24Å; A571-Q604 HydrophobicContact CB-CB 3.73Å; A571-Q604 HydrophobicContact CB-CG 4.37Å; A600-Q604 WeakPolarHBondContact O-CB 3.4Å; A600-Q604 PolarHBondContact O-N 3.38Å; R601-Q604 PolarHBondContact O-N 3.02Å; H602-Q604 PolarHBondContact O-N 2.87Å; Q604-A613 PolarHBondContact NE2-O 3.12Å
605Q96.6Very high95.7Very high124 Ų12460.8 Ų60.858%0.57931%0.307SS*.Hα-helixtrans-84.2-22-177.1-69.7178.3-12.500113.7R601 H602 A603 R607R601-Q605 HydrophobicContact CG-CG 4.41Å; R601-Q605 VanDerWaalsContact O-CB 3.28Å; R601-Q605 WeakPolarHBondContact O-CB 3.46Å; R601-Q605 VanDerWaalsContact O-CG 3.25Å; R601-Q605 WeakPolarHBondContact O-CG 3.42Å; R601-Q605 PolarHBondContact O-N 3.01Å; H602-Q605 PolarHBondContact O-N 3.42Å; A603-Q605 PolarHBondContact O-N 2.8Å; Q605-R607 PolarHBondContact O-N 2.97Å
606K94.3Very high96Very high75 Ų7559.3 Ų59.333%0.32630%0.297SS..Hα-helixtrans-56.3-35.8179.6-174.8166.6178.9165.40112.5D550 I553 D554 H602D550-K606 VanDerWaalsContact C-NZ 3.31Å; D550-K606 VanDerWaalsContact CA-NZ 3.33Å; D550-K606 PolarHBondContact O-NZ 3.08Å; D550-K606 WeakPolarHBondContact OD1-CD 3.49Å; D550-K606 WeakPolarHBondContact OD1-CE 3.46Å; D550-K606 IonicContact OD1-NZ 3.58Å; D550-K606 PolarHBondContact OD1-NZ 2.97Å; I553-K606 HydrophobicContact CB-CD 4.21Å; I553-K606 HydrophobicContact CD1-CD 4.26Å; I553-K606 HydrophobicContact CG2-CD 3.81Å; D554-K606 WeakPolarHBondContact OD1-CE 3.48Å; D554-K606 IonicContact OD1-NZ 2.63Å; D554-K606 PolarHBondContact OD1-NZ 2.99Å; D554-K606 IonicContact OD2-NZ 3.46Å; D554-K606 PolarHBondContact OD2-NZ 3.43Å; H602-K606 WeakPolarHBondContact O-CB 3.42Å; H602-K606 PolarHBondContact O-N 2.8Å
607R92.2Very high96Very high183 Ų18361.2 Ų61.269%0.69131%0.313SS*.THydrogen-bonded Turntrans-149.480.4175-170.5-172.7177.2174.7-0112.2D567 Q605 T609D567-R607 WeakPolarHBondContact CB-O 3.49Å; Q605-R607 PolarHBondContact O-N 2.97Å; R607-T609 HydrophobicContact CG-CG2 4.25Å; R607-T609 PolarHBondContact O-N 3.08Å
608I94.8Very high95.9Very high121 Ų12164.1 Ų64.162%0.62132%0.322SS*.  trans-65122.1-179.5-57.4170.6000110.9D567D567-I608 WeakPolarHBondContact OD2-CA 3.33Å
609T94.7Very high96Very high50 Ų5061 Ų6131%0.30730%0.299SS..  trans-132.5-5.3179.464.70000113.7N527 S566 D567 R607N527-T609 PolarHBondContact ND2-O 3.07Å; N527-T609 WeakPolarHBondContact OD1-CB 3.49Å; N527-T609 PolarHBondContact OD1-OG1 3.11Å; S566-T609 WeakPolarHBondContact CA-OG1 3.41Å; D567-T609 PolarHBondContact N-OG1 3.38Å; D567-T609 PolarHBondContact OD2-N 3.22Å; R607-T609 HydrophobicContact CG-CG2 4.25Å; R607-T609 PolarHBondContact O-N 3.08Å
610T94.2Very high96.1Very high28 Ų2864.8 Ų64.817%0.17232%0.317CS..SBendtrans-129.9168.2179.775.10000112.1V529 D567 S612V529-T610 HydrophobicContact CG1-CG2 3.8Å; D567-T610 VanDerWaalsContact OD1-CB 3.25Å; D567-T610 WeakPolarHBondContact OD1-CB 3.13Å; D567-T610 WeakPolarHBondContact OD1-CG2 3.34Å; D567-T610 PolarHBondContact OD1-N 3.43Å; D567-T610 PolarHBondContact OD1-OG1 2.88Å; D567-T610 PolarHBondContact OD2-N 3.18Å; D567-T610 PolarHBondContact OD2-OG1 3.17Å; T610-S612 VanDerWaalsContact C-N 3.28Å; T610-S612 WeakPolarHBondContact OG1-CB 3.33Å; T610-S612 PolarHBondContact OG1-N 3.31Å
611F92.1Very high96.1Very high215 Ų21568.3 Ų68.394%0.94334%0.335SS*.  trans-94.624.1171.650.6-95.7000111.9
612S93.4Very high96.1Very high35 Ų3563 Ų6325%0.24532%0.315CS..PPolyproline II helixtrans-63.8153.5-178.5-179.90000112.4L568 T610L568-S612 VanDerWaalsContact CD2-OG 3.28Å; L568-S612 WeakPolarHBondContact CD2-OG 3.41Å; T610-S612 VanDerWaalsContact C-N 3.28Å; T610-S612 WeakPolarHBondContact OG1-CB 3.33Å; T610-S612 PolarHBondContact OG1-N 3.31Å
613A94.5Very high96.1Very high55 Ų5559.5 Ų59.546%0.45530%0.299SS..PPolyproline II helixtrans-60.7162.5163.600000111.6Q604 L615 I650Q604-A613 PolarHBondContact NE2-O 3.12Å; A613-L615 PolarHBondContact O-N 2.92Å; A613-I650 HydrophobicContact CB-CD1 4.41Å; A613-I650 HydrophobicContact CB-CG1 4.38Å; A613-I650 WeakPolarHBondContact O-CD1 3.23Å
614S96.9Very high96.1Very high51 Ų5166.1 Ų66.136%0.35733%0.327SS..PPolyproline II helixtrans-66.1119.3174.8171.80000110.9A616 A617 R618S614-A616 VanDerWaalsContact C-N 3.28Å; S614-A616 PolarHBondContact O-N 2.97Å; S614-A616 PolarHBondContact OG-N 2.8Å; S614-A617 PolarHBondContact O-N 3.17Å; S614-A617 PolarHBondContact OG-N 3.41Å; S614-R618 PolarHBondContact O-N 3.21Å
615L98Very high96.1Very high0 Ų066 Ų660%033%0.327CS..Hα-helixtrans-62.8-39173.6-178.363.7000111.2L568 A571 V575 A600 A613 A617 R618 L619 I650 P654L568-L615 HydrophobicContact CD1-CB 4.18Å; L568-L615 HydrophobicContact CD1-CD1 4.41Å; A571-L615 HydrophobicContact CB-CD2 3.84Å; V575-L615 HydrophobicContact CG2-CD2 4.14Å; A600-L615 HydrophobicContact CB-CB 4.49Å; A600-L615 HydrophobicContact CB-CD2 4.22Å; A600-L615 HydrophobicContact CB-CG 4.25Å; A613-L615 PolarHBondContact O-N 2.92Å; L615-A617 PolarHBondContact O-N 3.16Å; L615-R618 WeakPolarHBondContact O-CB 3.42Å; L615-R618 PolarHBondContact O-N 3.16Å; L615-R618 VanDerWaalsContact O-N 3.15Å; L615-L619 HydrophobicContact CG-CD1 4.35Å; L615-L619 PolarHBondContact O-N 2.85Å; L615-I650 HydrophobicContact CB-CD1 4.13Å; L615-I650 HydrophobicContact CD1-CD1 4.07Å; L615-P654 HydrophobicContact CD1-CG 3.66Å
616A97.9Very high96.1Very high0 Ų060.9 Ų60.90%030%0.304CS..Hα-helixtrans-57.3-46.9175.500000112.3P597 A600 R601 S614 R618 L619 E620P597-A616 HydrophobicContact CB-CB 4.29Å; P597-A616 WeakPolarHBondContact O-CB 3.09Å; A600-A616 HydrophobicContact CB-CB 4.25Å; R601-A616 HydrophobicContact CB-CB 3.95Å; S614-A616 VanDerWaalsContact C-N 3.28Å; S614-A616 PolarHBondContact O-N 2.97Å; S614-A616 PolarHBondContact OG-N 2.8Å; A616-R618 VanDerWaalsContact C-N 3.29Å; A616-R618 PolarHBondContact O-N 3.46Å; A616-L619 WeakPolarHBondContact O-CB 3.34Å; A616-L619 PolarHBondContact O-N 3.39Å; A616-E620 WeakPolarHBondContact O-CG 3.27Å; A616-E620 PolarHBondContact O-N 2.94Å
617A97.6Very high96.1Very high40 Ų4063.1 Ų63.133%0.33131%0.311SS..Hα-helixtrans-65.9-33.5178.500000112S614 L615 I621S614-A617 PolarHBondContact O-N 3.17Å; S614-A617 PolarHBondContact OG-N 3.41Å; L615-A617 PolarHBondContact O-N 3.16Å; A617-I621 VanDerWaalsContact O-CG1 3.28Å; A617-I621 WeakPolarHBondContact O-CG1 3.33Å; A617-I621 PolarHBondContact O-N 2.95Å; A617-I621 VanDerWaalsContact O-N 3.1Å
618R97.5Very high96.3Very high77 Ų7760.1 Ų60.129%0.29131%0.308SS..Hα-helixtrans-68.8-40.5175.3-78.8-81.4-172.31793.8112.4S614 L615 A616 I621 A622 V642 V643 I650 P654S614-R618 PolarHBondContact O-N 3.21Å; L615-R618 WeakPolarHBondContact O-CB 3.42Å; L615-R618 PolarHBondContact O-N 3.16Å; L615-R618 VanDerWaalsContact O-N 3.15Å; A616-R618 VanDerWaalsContact C-N 3.29Å; A616-R618 PolarHBondContact O-N 3.46Å; R618-I621 PolarHBondContact O-N 3.37Å; R618-A622 WeakPolarHBondContact O-CB 3.27Å; R618-A622 PolarHBondContact O-N 3.17Å; R618-V642 PolarHBondContact NH1-O 3.46Å; R618-V643 PolarHBondContact NH1-O 3.35Å; R618-I650 HydrophobicContact CB-CD1 4.27Å; R618-I650 HydrophobicContact CG-CD1 3.81Å; R618-I650 HydrophobicContact CG-CG1 3.94Å; R618-P654 HydrophobicContact CB-CB 4.35Å; R618-P654 HydrophobicContact CB-CG 3.82Å
619L98Very high96.1Very high0 Ų055.5 Ų55.50%029%0.288CS..Hα-helixtrans-58.4-48.3172.1-77.5162.9000111.3V575 L596 A600 L615 A616 I621 A622 L623 P654 I657V575-L619 HydrophobicContact CG1-CD1 4.3Å; V575-L619 HydrophobicContact CG2-CD1 4.09Å; L596-L619 HydrophobicContact CB-CD1 4.47Å; A600-L619 HydrophobicContact CB-CD1 3.72Å; L615-L619 HydrophobicContact CG-CD1 4.35Å; L615-L619 PolarHBondContact O-N 2.85Å; A616-L619 WeakPolarHBondContact O-CB 3.34Å; A616-L619 PolarHBondContact O-N 3.39Å; L619-I621 VanDerWaalsContact C-N 3.31Å; L619-I621 PolarHBondContact O-N 3.32Å; L619-A622 PolarHBondContact O-N 3.33Å; L619-L623 WeakPolarHBondContact O-CB 3.16Å; L619-L623 WeakPolarHBondContact O-CG 3.16Å; L619-L623 PolarHBondContact O-N 3.28Å; L619-P654 HydrophobicContact CD2-CB 4.24Å; L619-P654 HydrophobicContact CD2-CG 4.44Å; L619-P654 HydrophobicContact CG-CB 4.45Å; L619-P654 HydrophobicContact CG-CG 4.34Å; L619-I657 HydrophobicContact CD2-CB 3.84Å; L619-I657 HydrophobicContact CD2-CG1 3.79Å; L619-I657 HydrophobicContact CD2-CG2 3.96Å
620E98Very high95.9Very high92 Ų9260.4 Ų60.443%0.4331%0.312SS..Hα-helixtrans-58.6-41.7177.9-71.2168.4-175.500112P597 R601 A616 K624P597-E620 HydrophobicContact CB-CG 4.05Å; P597-E620 HydrophobicContact CG-CG 4Å; R601-E620 IonicContact NH2-OE1 3.33Å; A616-E620 WeakPolarHBondContact O-CG 3.27Å; A616-E620 PolarHBondContact O-N 2.94Å; E620-K624 WeakPolarHBondContact O-CB 3.37Å; E620-K624 PolarHBondContact O-N 3.33Å
621I97.4Very high95.7Very high75 Ų7561.1 Ų61.139%0.38533%0.325SS..Hα-helixtrans-64.5-47.6175.7-69.2165.5000111.1A617 R618 L619 K624 I625 V642A617-I621 VanDerWaalsContact O-CG1 3.28Å; A617-I621 WeakPolarHBondContact O-CG1 3.33Å; A617-I621 PolarHBondContact O-N 2.95Å; A617-I621 VanDerWaalsContact O-N 3.1Å; R618-I621 PolarHBondContact O-N 3.37Å; L619-I621 VanDerWaalsContact C-N 3.31Å; L619-I621 PolarHBondContact O-N 3.32Å; I621-K624 PolarHBondContact O-N 2.9Å; I621-I625 HydrophobicContact CG2-CD1 3.95Å; I621-I625 WeakPolarHBondContact O-CG1 3.42Å; I621-I625 PolarHBondContact O-N 2.84Å; I621-V642 HydrophobicContact CG2-CG1 4.27Å
622A98Very high95.8Very high0 Ų053.3 Ų53.30%030%0.295CS..Hα-helixtrans-62.2-45-178.100000111.9R618 L619 I625 V626 L639 V643 P654 A658R618-A622 WeakPolarHBondContact O-CB 3.27Å; R618-A622 PolarHBondContact O-N 3.17Å; L619-A622 PolarHBondContact O-N 3.33Å; A622-I625 WeakPolarHBondContact O-CB 3.24Å; A622-I625 PolarHBondContact O-N 3.03Å; A622-V626 PolarHBondContact O-N 2.84Å; A622-L639 HydrophobicContact CB-CD2 3.98Å; A622-V643 HydrophobicContact CB-CG1 4.25Å; A622-V643 HydrophobicContact CB-CG2 3.72Å; A622-P654 HydrophobicContact CB-CB 4Å; A622-A658 HydrophobicContact CB-CB 3.84Å
623L97.5Very high95.8Very high7 Ų755.5 Ų55.54%0.03730%0.302CS..Hα-helixtrans-64.7-41175.7-69.7169.6000111.8V593 L619 I625 V626 R627 I657 E661V593-L623 HydrophobicContact CG2-CD1 3.7Å; V593-L623 HydrophobicContact CG2-CD2 3.44Å; V593-L623 VanDerWaalsContact CG2-CD2 3.44Å; V593-L623 HydrophobicContact CG2-CG 4.22Å; L619-L623 WeakPolarHBondContact O-CB 3.16Å; L619-L623 WeakPolarHBondContact O-CG 3.16Å; L619-L623 PolarHBondContact O-N 3.28Å; L623-I625 VanDerWaalsContact C-N 3.29Å; L623-I625 PolarHBondContact O-N 3.44Å; L623-V626 PolarHBondContact O-N 2.7Å; L623-R627 WeakPolarHBondContact O-CB 3.35Å; L623-R627 VanDerWaalsContact O-CG 3.24Å; L623-R627 WeakPolarHBondContact O-CG 3.44Å; L623-R627 PolarHBondContact O-N 3.27Å; L623-I657 HydrophobicContact CD2-CG2 4.16Å; L623-E661 HydrophobicContact CD2-CB 4.26Å; L623-E661 HydrophobicContact CD2-CG 4.44Å
624K97.2Very high95.8Very high142 Ų14254.9 Ų54.962%0.61729%0.294SS*.Hα-helixtrans-62.3-37.3176-174.9179.1179.2-179.90112E620 I621 N628E620-K624 WeakPolarHBondContact O-CB 3.37Å; E620-K624 PolarHBondContact O-N 3.33Å; I621-K624 PolarHBondContact O-N 2.9Å; K624-N628 VanDerWaalsContact CG-ND2 3.25Å; K624-N628 WeakPolarHBondContact CG-ND2 3.48Å; K624-N628 WeakPolarHBondContact O-CB 3.12Å; K624-N628 PolarHBondContact O-N 3.45Å; K624-N628 PolarHBondContact O-ND2 3.24Å
625I97.5Very high95.8Very high16 Ų1652.5 Ų52.58%0.08228%0.277CS..Hα-helixtrans-60.9-53.9175.7-74.8164.2000109.8I621 A622 L623 R627 N628 A629 Q638 L639 V642 V643I621-I625 HydrophobicContact CG2-CD1 3.95Å; I621-I625 WeakPolarHBondContact O-CG1 3.42Å; I621-I625 PolarHBondContact O-N 2.84Å; A622-I625 WeakPolarHBondContact O-CB 3.24Å; A622-I625 PolarHBondContact O-N 3.03Å; L623-I625 VanDerWaalsContact C-N 3.29Å; L623-I625 PolarHBondContact O-N 3.44Å; I625-R627 PolarHBondContact O-N 2.62Å; I625-N628 PolarHBondContact O-N 2.7Å; I625-A629 VanDerWaalsContact O-CB 3.32Å; I625-A629 WeakPolarHBondContact O-CB 3.46Å; I625-A629 PolarHBondContact O-N 3.29Å; I625-Q638 HydrophobicContact CG2-CB 3.41Å; I625-Q638 VanDerWaalsContact CG2-CB 3.41Å; I625-Q638 HydrophobicContact CG2-CG 4.49Å; I625-L639 HydrophobicContact CB-CD2 4.36Å; I625-L639 HydrophobicContact CG2-CD2 4.15Å; I625-L639 HydrophobicContact CG2-CG 4.18Å; I625-V642 HydrophobicContact CD1-CB 3.85Å; I625-V642 HydrophobicContact CD1-CG1 3.94Å; I625-V642 HydrophobicContact CD1-CG2 4.49Å; I625-V643 HydrophobicContact CD1-CG2 3.77Å
626V96.1Very high95.7Very high16 Ų1652.7 Ų52.710%0.09728%0.278CS..Hα-helixtrans-62.5-43.7-177.8169.20000111.9A622 L623 N628 A629 A635 L639 A658 E661 L662A622-V626 PolarHBondContact O-N 2.84Å; L623-V626 PolarHBondContact O-N 2.7Å; V626-N628 VanDerWaalsContact C-N 3.26Å; V626-N628 PolarHBondContact O-N 2.59Å; V626-A629 PolarHBondContact O-N 3.38Å; V626-A635 HydrophobicContact CG2-CB 4.45Å; V626-L639 HydrophobicContact CG2-CD1 3.79Å; V626-L639 HydrophobicContact CG2-CD2 4.22Å; V626-L639 HydrophobicContact CG2-CG 4.2Å; V626-A658 HydrophobicContact CG2-CB 3.84Å; V626-E661 HydrophobicContact CG1-CB 4.22Å; V626-E661 HydrophobicContact CG1-CG 3.81Å; V626-L662 HydrophobicContact CG1-CB 3.72Å; V626-L662 HydrophobicContact CG1-CD1 3.94Å; V626-L662 HydrophobicContact CG1-CG 4.41Å; V626-L662 HydrophobicContact CG2-CB 4.21Å
627R94.9Very high95.6Very high123 Ų12355.6 Ų55.646%0.46429%0.292SS..Hα-helixtrans-67.6-21.9-179.1-69.6171176.2178.7-3.5113.7D594 L623 I625 E661D594-R627 IonicContact OD1-CZ 3.84Å; D594-R627 IonicContact OD1-NH1 3.77Å; D594-R627 IonicContact OD1-NH2 3.02Å; D594-R627 PolarHBondContact OD1-NH2 2.81Å; L623-R627 WeakPolarHBondContact O-CB 3.35Å; L623-R627 VanDerWaalsContact O-CG 3.24Å; L623-R627 WeakPolarHBondContact O-CG 3.44Å; L623-R627 PolarHBondContact O-N 3.27Å; I625-R627 PolarHBondContact O-N 2.62Å; R627-E661 IonicContact CZ-OE1 3.82Å; R627-E661 IonicContact NE-OE1 3.92Å; R627-E661 PolarHBondContact NE-OE1 3.45Å; R627-E661 IonicContact NH2-OE1 3.27Å
628N95.3Very high95.5Very high120 Ų12057.4 Ų57.464%0.64229%0.294SS*.Hα-helixtrans-110.73179.9-63.9-55.4000113.9K624 I625 V626K624-N628 VanDerWaalsContact CG-ND2 3.25Å; K624-N628 WeakPolarHBondContact CG-ND2 3.48Å; K624-N628 WeakPolarHBondContact O-CB 3.12Å; K624-N628 PolarHBondContact O-N 3.45Å; K624-N628 PolarHBondContact O-ND2 3.24Å; I625-N628 PolarHBondContact O-N 2.7Å; V626-N628 VanDerWaalsContact C-N 3.26Å; V626-N628 PolarHBondContact O-N 2.59Å
629A91.1Very high95.5Very high24 Ų2453.8 Ų53.820%0.19828%0.28CS..  trans-75.4142.7-175.700000112.4I625 V626 G631 A635I625-A629 VanDerWaalsContact O-CB 3.32Å; I625-A629 WeakPolarHBondContact O-CB 3.46Å; I625-A629 PolarHBondContact O-N 3.29Å; V626-A629 PolarHBondContact O-N 3.38Å; A629-G631 PolarHBondContact O-N 2.84Å; A629-A635 HydrophobicContact CB-CB 3.47Å; A629-A635 VanDerWaalsContact CB-CB 3.47Å
630D90.5Very high95.5Very high152 Ų15256.6 Ų56.681%0.81329%0.291SS*.SBendtrans-82.666.9171.8-168.620.4000110.4S634D630-S634 WeakPolarHBondContact O-CB 3.28Å
631G90.6Very high95.4Very high43 Ų4358.3 Ų58.344%0.44330%0.299SS..SBendtrans90.4172.2179.100000115.9A629 E633 S634 A635A629-G631 PolarHBondContact O-N 2.84Å; G631-E633 PolarHBondContact O-N 3.21Å; G631-S634 PolarHBondContact O-N 3.43Å; G631-A635 PolarHBondContact O-N 3.39Å
632T93.1Very high95.3Very high51 Ų5158.4 Ų58.431%0.31330%0.303SS..Hα-helixtrans-59.2-42.3-169.1-51.40000114.4A635 S636 L662 L673T632-A635 PolarHBondContact O-N 2.88Å; T632-S636 WeakPolarHBondContact O-CB 3.44Å; T632-S636 PolarHBondContact O-N 3.08Å; T632-S636 PolarHBondContact O-OG 3.48Å; T632-L662 HydrophobicContact CG2-CD2 4.17Å; T632-L662 HydrophobicContact CG2-CG 4.45Å; T632-L673 HydrophobicContact CG2-CD1 4.1Å; T632-L673 HydrophobicContact CG2-CD2 3.3Å; T632-L673 HydrophobicContact CG2-CG 4.35Å
633E94Very high95.2Very high82 Ų8258.6 Ų58.638%0.38330%0.304SS..Hα-helixtrans-70.2-41.6-178.4-17954-148.100111.4R428 K432 G631 A635 S636 E637R428-E633 IonicContact CZ-OE1 3.42Å; R428-E633 IonicContact NE-OE1 3.42Å; R428-E633 IonicContact NH2-OE1 3.98Å; R428-E633 PolarHBondContact NH2-OE1 3.42Å; R428-E633 IonicContact NH2-OE2 3.55Å; R428-E633 PolarHBondContact NH2-OE2 3.13Å; K432-E633 WeakPolarHBondContact CE-OE1 3.45Å; K432-E633 IonicContact NZ-OE1 3.23Å; K432-E633 PolarHBondContact NZ-OE1 3.24Å; G631-E633 PolarHBondContact O-N 3.21Å; E633-A635 VanDerWaalsContact C-N 3.34Å; E633-A635 PolarHBondContact O-N 2.73Å; E633-S636 PolarHBondContact O-N 3.03Å; E633-E637 WeakPolarHBondContact O-CB 3.28Å; E633-E637 PolarHBondContact O-N 3.3Å
634S94.9Very high95.1Very high42 Ų4258.9 Ų58.929%0.29431%0.309SS..Hα-helixtrans-61.6-43.8175.4-174.20000111.2D630 G631 Q638D630-S634 WeakPolarHBondContact O-CB 3.28Å; G631-S634 PolarHBondContact O-N 3.43Å; S634-Q638 WeakPolarHBondContact O-CB 3.35Å; S634-Q638 WeakPolarHBondContact O-CG 3.37Å; S634-Q638 PolarHBondContact O-N 2.81Å
635A96.4Very high95.1Very high0 Ų052.4 Ų52.40%028%0.282CS..Hα-helixtrans-60.8-50.4175.200000111.8V626 A629 G631 T632 E633 E637 Q638 L639 L662V626-A635 HydrophobicContact CG2-CB 4.45Å; A629-A635 HydrophobicContact CB-CB 3.47Å; A629-A635 VanDerWaalsContact CB-CB 3.47Å; G631-A635 PolarHBondContact O-N 3.39Å; T632-A635 PolarHBondContact O-N 2.88Å; E633-A635 VanDerWaalsContact C-N 3.34Å; E633-A635 PolarHBondContact O-N 2.73Å; A635-E637 PolarHBondContact O-N 2.93Å; A635-Q638 PolarHBondContact O-N 3.23Å; A635-L639 WeakPolarHBondContact O-CB 3.34Å; A635-L639 WeakPolarHBondContact O-CG 3.31Å; A635-L639 PolarHBondContact O-N 2.99Å; A635-L662 HydrophobicContact CB-CD1 3.66Å; A635-L662 HydrophobicContact CB-CD2 3.65Å; A635-L662 HydrophobicContact CB-CG 4.31Å
636S95.8Very high95Very high4 Ų452.7 Ų52.73%0.02829%0.289CS..Hα-helixtrans-63.1-41.9-177.2-56.50000112.1T632 E633 Y640T632-S636 WeakPolarHBondContact O-CB 3.44Å; T632-S636 PolarHBondContact O-N 3.08Å; T632-S636 PolarHBondContact O-OG 3.48Å; E633-S636 PolarHBondContact O-N 3.03Å; S636-Y640 WeakPolarHBondContact O-CB 3.45Å; S636-Y640 PolarHBondContact O-N 3.04Å
637E95.9Very high94.9Very high61 Ų6154.8 Ų54.829%0.28530%0.301SS..Hα-helixtrans-64.6-44.7175.8-171.366.1-144.100111.3R428 K432 E633 A635 Y640 Q641R428-E637 VanDerWaalsContact CD-OE2 3.26Å; R428-E637 WeakPolarHBondContact CD-OE2 3.35Å; R428-E637 IonicContact CZ-OE2 2.83Å; R428-E637 IonicContact NE-OE2 3.23Å; R428-E637 PolarHBondContact NE-OE2 2.96Å; K432-E637 IonicContact NZ-OE2 2.96Å; E633-E637 WeakPolarHBondContact O-CB 3.28Å; E633-E637 PolarHBondContact O-N 3.3Å; A635-E637 PolarHBondContact O-N 2.93Å; E637-Y640 PolarHBondContact O-N 3.45Å; E637-Q641 HydrophobicContact CG-CG 4.33Å; E637-Q641 WeakPolarHBondContact O-CB 3.35Å; E637-Q641 WeakPolarHBondContact O-CG 3.5Å; E637-Q641 PolarHBondContact O-N 3.46Å; E637-Q641 WeakPolarHBondContact OE1-CG 3.49Å; E637-Q641 PolarHBondContact OE1-NE2 3.29Å
638Q97.1Very high94.9Very high79 Ų7950.1 Ų50.137%0.36929%0.288SS..Hα-helixtrans-67.2-38.7178.6-74.1-173.139.700112.9I625 S634 A635 Q641 V642I625-Q638 HydrophobicContact CG2-CB 3.41Å; I625-Q638 VanDerWaalsContact CG2-CB 3.41Å; I625-Q638 HydrophobicContact CG2-CG 4.49Å; S634-Q638 WeakPolarHBondContact O-CB 3.35Å; S634-Q638 WeakPolarHBondContact O-CG 3.37Å; S634-Q638 PolarHBondContact O-N 2.81Å; A635-Q638 PolarHBondContact O-N 3.23Å; Q638-Q641 PolarHBondContact O-N 2.66Å; Q638-V642 WeakPolarHBondContact O-CB 3.4Å; Q638-V642 WeakPolarHBondContact O-CG2 3.3Å; Q638-V642 PolarHBondContact O-N 3.42Å
639L97.3Very high95Very high0 Ų044.4 Ų44.40%026%0.257CS..Iπ-helixtrans-57.7-51.2172.5-74.3177.3000110.4A622 I625 V626 A635 Q641 V643 G644 A658 L659 L677A622-L639 HydrophobicContact CB-CD2 3.98Å; I625-L639 HydrophobicContact CB-CD2 4.36Å; I625-L639 HydrophobicContact CG2-CD2 4.15Å; I625-L639 HydrophobicContact CG2-CG 4.18Å; V626-L639 HydrophobicContact CG2-CD1 3.79Å; V626-L639 HydrophobicContact CG2-CD2 4.22Å; V626-L639 HydrophobicContact CG2-CG 4.2Å; A635-L639 WeakPolarHBondContact O-CB 3.34Å; A635-L639 WeakPolarHBondContact O-CG 3.31Å; A635-L639 PolarHBondContact O-N 2.99Å; L639-Q641 PolarHBondContact O-N 3.31Å; L639-V643 HydrophobicContact CD2-CG2 3.82Å; L639-V643 WeakPolarHBondContact O-CA 3.12Å; L639-V643 VanDerWaalsContact O-CB 3.28Å; L639-V643 WeakPolarHBondContact O-CB 3.35Å; L639-V643 PolarHBondContact O-N 2.93Å; L639-G644 PolarHBondContact O-N 3.07Å; L639-A658 HydrophobicContact CD1-CB 3.94Å; L639-A658 HydrophobicContact CD2-CB 3.7Å; L639-A658 HydrophobicContact CG-CB 4.49Å; L639-L659 HydrophobicContact CD1-CD2 4.35Å; L639-L659 HydrophobicContact CD1-CG 4.27Å; L639-L677 HydrophobicContact CB-CD1 4.48Å
640Y97.1Very high95.3Very high60 Ų6044.1 Ų44.124%0.23525%0.252CS..Iπ-helixtrans-59-44178.8-176.5-89.7000112.8R428 S636 E637 A645 L677 G678R428-Y640 HydrophobicContact CB-CD1 4.28Å; R428-Y640 HydrophobicContact CB-CD2 4.1Å; R428-Y640 HydrophobicContact CB-CE1 4.08Å; R428-Y640 HydrophobicContact CB-CE2 3.89Å; R428-Y640 HydrophobicContact CB-CG 4.3Å; R428-Y640 PolarHBondContact N-OH 3.37Å; S636-Y640 WeakPolarHBondContact O-CB 3.45Å; S636-Y640 PolarHBondContact O-N 3.04Å; E637-Y640 PolarHBondContact O-N 3.45Å; Y640-A645 HydrophobicContact CD2-CB 3.87Å; Y640-A645 HydrophobicContact CE2-CB 4.37Å; Y640-L677 WeakPolarHBondContact CD2-O 3.22Å; Y640-G678 WeakPolarHBondContact CD2-O 3.19Å; Y640-G678 WeakPolarHBondContact CE2-O 3.32Å
641Q95.9Very high95.6Very high127 Ų12739.9 Ų39.959%0.59323%0.227SC*.Iπ-helixtrans-81-33.5-175.1-63.4-68.1-16.400114.2E637 Q638 L639E637-Q641 HydrophobicContact CG-CG 4.33Å; E637-Q641 WeakPolarHBondContact O-CB 3.35Å; E637-Q641 WeakPolarHBondContact O-CG 3.5Å; E637-Q641 PolarHBondContact O-N 3.46Å; E637-Q641 WeakPolarHBondContact OE1-CG 3.49Å; E637-Q641 PolarHBondContact OE1-NE2 3.29Å; Q638-Q641 PolarHBondContact O-N 2.66Å; L639-Q641 PolarHBondContact O-N 3.31Å
642V95.7Very high96Very high78 Ų7837.8 Ų37.847%0.47321%0.206SC..Iπ-helixtrans-104.2-44.3-170.7-177.50000112R618 I621 I625 Q638R618-V642 PolarHBondContact NH1-O 3.46Å; I621-V642 HydrophobicContact CG2-CG1 4.27Å; I625-V642 HydrophobicContact CD1-CB 3.85Å; I625-V642 HydrophobicContact CD1-CG1 3.94Å; I625-V642 HydrophobicContact CD1-CG2 4.49Å; Q638-V642 WeakPolarHBondContact O-CB 3.4Å; Q638-V642 WeakPolarHBondContact O-CG2 3.3Å; Q638-V642 PolarHBondContact O-N 3.42Å
643V95.9Very high96.2Very high3 Ų335.4 Ų35.42%0.01819%0.191CC..Iπ-helixtrans-81.8-44.1179.1-176.20000109.9R618 A622 I625 L639 P654R618-V643 PolarHBondContact NH1-O 3.35Å; A622-V643 HydrophobicContact CB-CG1 4.25Å; A622-V643 HydrophobicContact CB-CG2 3.72Å; I625-V643 HydrophobicContact CD1-CG2 3.77Å; L639-V643 HydrophobicContact CD2-CG2 3.82Å; L639-V643 WeakPolarHBondContact O-CA 3.12Å; L639-V643 VanDerWaalsContact O-CB 3.28Å; L639-V643 WeakPolarHBondContact O-CB 3.35Å; L639-V643 PolarHBondContact O-N 2.93Å; V643-P654 HydrophobicContact CG1-CB 3.86Å
644G95.8Very high96.4Very high13 Ų1331.5 Ų31.513%0.13417%0.173CC..  trans93.7151.8-170.400000110.8L639 C655L639-G644 PolarHBondContact O-N 3.07Å; G644-C655 PolarHBondContact O-SG 3Å
645A96.3Very high96.6Very high6 Ų629.5 Ų29.55%0.0516%0.159CC..  trans-132.325.1-176.900000112.1Y640 L677 G678 G679 D680 I684Y640-A645 HydrophobicContact CD2-CB 3.87Å; Y640-A645 HydrophobicContact CE2-CB 4.37Å; A645-L677 HydrophobicContact CB-CD2 3.6Å; A645-L677 HydrophobicContact CB-CG 4.17Å; A645-G678 VanDerWaalsContact CB-O 3.29Å; A645-G678 WeakPolarHBondContact CB-O 3.34Å; A645-G679 CarbonylContact O-C 3.51Å; A645-G679 VanDerWaalsContact O-CA 3.3Å; A645-G679 WeakPolarHBondContact O-CA 3.39Å; A645-D680 PolarHBondContact O-N 3.03Å; A645-I684 HydrophobicContact CB-CD1 4.01Å
646G95.4Very high96.7Very high22 Ų2229.5 Ų29.523%0.22716%0.159CC..SBendtrans-86.8-174178.600000114S648 E651 S652G646-S648 PolarHBondContact O-N 3.4Å; G646-S648 VanDerWaalsContact O-N 3.13Å; G646-E651 WeakPolarHBondContact CA-OE2 3.42Å; G646-E651 PolarHBondContact N-OE2 3.42Å; G646-S652 WeakPolarHBondContact O-CB 3.41Å
647T93.8Very high96.8Very high60 Ų6029.3 Ų29.337%0.36816%0.158SC..SBendtrans-70.5-4.1-177.958.10000114.9L425 T530 N531 D680L425-T647 HydrophobicContact CD2-CG2 3.84Å; T530-T647 VanDerWaalsContact CA-O 3.29Å; T530-T647 WeakPolarHBondContact CA-O 3.37Å; N531-T647 PolarHBondContact N-O 2.77Å; N531-T647 PolarHBondContact ND2-O 2.98Å; N531-T647 PolarHBondContact OD1-O 2.79Å; T647-D680 WeakPolarHBondContact CA-OD2 3.41Å; T647-D680 HydrophobicContact CG2-CB 4.46Å; T647-D680 WeakPolarHBondContact CG2-OD1 3.26Å; T647-D680 WeakPolarHBondContact CG2-OD2 3.46Å
648S95.5Very high96.9Very high26 Ų2626.4 Ų26.418%0.18214%0.144CC..BIsolated β-bridgetrans-75.5133.7176.9-170.30000109.9G646 I650 E651 S652G646-S648 PolarHBondContact O-N 3.4Å; G646-S648 VanDerWaalsContact O-N 3.13Å; S648-I650 PolarHBondContact O-N 2.79Å; S648-I650 WeakPolarHBondContact OG-CG2 3.47Å; S648-E651 PolarHBondContact O-N 3.2Å; S648-S652 PolarHBondContact O-N 3.22Å; S648-S652 PolarHBondContact O-OG 3.49Å
649T97Very high97Very high0 Ų022.6 Ų22.60%013%0.127CC..Hα-helixtrans-58.8-31.8179.2-590000112.3V529 T530 N531 L568 E651 V653 P654V529-T649 WeakPolarHBondContact O-CB 3.46Å; V529-T649 PolarHBondContact O-N 3.06Å; V529-T649 PolarHBondContact O-OG1 3.11Å; V529-T649 VanDerWaalsContact O-OG1 3.09Å; T530-T649 PolarHBondContact O-OG1 3.23Å; N531-T649 VanDerWaalsContact CA-OG1 3.26Å; N531-T649 WeakPolarHBondContact CA-OG1 3.26Å; N531-T649 PolarHBondContact N-OG1 3.1Å; L568-T649 HydrophobicContact CD1-CG2 4.28Å; L568-T649 HydrophobicContact CG-CG2 4.23Å; L568-T649 WeakPolarHBondContact O-CG2 3.3Å; T649-E651 PolarHBondContact O-N 3.34Å; T649-V653 HydrophobicContact CG2-CB 4.44Å; T649-V653 HydrophobicContact CG2-CG2 3.87Å; T649-V653 PolarHBondContact O-N 2.99Å; T649-P654 WeakPolarHBondContact O-CD 3.25Å
650I97.2Very high97Very high18 Ų1822.6 Ų22.69%0.09213%0.127CC..Hα-helixtrans-68.5-13.2179.1-158.257.4000113.5L568 A613 L615 R618 S648L568-I650 HydrophobicContact CD1-CB 4.19Å; L568-I650 HydrophobicContact CD1-CD1 3.82Å; L568-I650 HydrophobicContact CD2-CB 3.95Å; A613-I650 HydrophobicContact CB-CD1 4.41Å; A613-I650 HydrophobicContact CB-CG1 4.38Å; A613-I650 WeakPolarHBondContact O-CD1 3.23Å; L615-I650 HydrophobicContact CB-CD1 4.13Å; L615-I650 HydrophobicContact CD1-CD1 4.07Å; R618-I650 HydrophobicContact CB-CD1 4.27Å; R618-I650 HydrophobicContact CG-CD1 3.81Å; R618-I650 HydrophobicContact CG-CG1 3.94Å; S648-I650 PolarHBondContact O-N 2.79Å; S648-I650 WeakPolarHBondContact OG-CG2 3.47Å
651E97.7Very high97Very high62 Ų6221.8 Ų21.829%0.2913%0.125SC..Hα-helixtrans-108.3-59.4-179.9-64.8-178-159.500110.7G646 S648 T649 P654 C655G646-E651 WeakPolarHBondContact CA-OE2 3.42Å; G646-E651 PolarHBondContact N-OE2 3.42Å; S648-E651 PolarHBondContact O-N 3.2Å; T649-E651 PolarHBondContact O-N 3.34Å; E651-P654 WeakPolarHBondContact O-CD 3.4Å; E651-C655 WeakPolarHBondContact O-CB 3.46Å; E651-C655 PolarHBondContact O-N 2.71Å; E651-C655 VanDerWaalsContact O-N 3.1Å
652S97.7Very high97.1Very high0 Ų016.6 Ų16.60%010%0.101CC..Hα-helixtrans-64.1-44.7-173.148.80000113.9N531 G646 S648 C655 A656N531-S652 VanDerWaalsContact CB-OG 3.26Å; N531-S652 WeakPolarHBondContact CB-OG 3.47Å; N531-S652 WeakPolarHBondContact ND2-CB 3.18Å; N531-S652 PolarHBondContact ND2-OG 3.08Å; N531-S652 VanDerWaalsContact ND2-OG 3.12Å; G646-S652 WeakPolarHBondContact O-CB 3.41Å; S648-S652 PolarHBondContact O-N 3.22Å; S648-S652 PolarHBondContact O-OG 3.49Å; S652-C655 PolarHBondContact O-N 3.19Å; S652-A656 WeakPolarHBondContact O-CB 3.46Å; S652-A656 PolarHBondContact O-N 3.16Å
653V98.4Very high97.2Very high0 Ų012.9 Ų12.90%08%0.079CC..Hα-helixtrans-65-49.5-179.1169.60000111.6A534 V575 I576 T649 C655 A656 I657 M687A534-V653 HydrophobicContact CB-CG2 3.69Å; V575-V653 HydrophobicContact CB-CG1 4.11Å; V575-V653 HydrophobicContact CG1-CG1 3.82Å; I576-V653 HydrophobicContact CD1-CG1 4.1Å; I576-V653 HydrophobicContact CG1-CG1 4.32Å; I576-V653 HydrophobicContact CG1-CG2 4.36Å; T649-V653 HydrophobicContact CG2-CB 4.44Å; T649-V653 HydrophobicContact CG2-CG2 3.87Å; T649-V653 PolarHBondContact O-N 2.99Å; V653-C655 VanDerWaalsContact C-N 3.3Å; V653-C655 PolarHBondContact O-N 2.73Å; V653-A656 PolarHBondContact O-N 3.3Å; V653-I657 WeakPolarHBondContact O-CG1 3.07Å; V653-I657 PolarHBondContact O-N 3.16Å; V653-I657 VanDerWaalsContact O-N 3.08Å; V653-M687 HydrophobicContact CG2-CE 4.22Å; V653-M687 HydrophobicContact CG2-SD 3.96Å
654P98.5Very high97.2Very high0 Ų019.5 Ų19.50%011%0.109CC..Hα-helixtrans-59-38.7173.8-27.336.9000113.8L615 R618 L619 A622 V643 T649 E651 A658L615-P654 HydrophobicContact CD1-CG 3.66Å; R618-P654 HydrophobicContact CB-CB 4.35Å; R618-P654 HydrophobicContact CB-CG 3.82Å; L619-P654 HydrophobicContact CD2-CB 4.24Å; L619-P654 HydrophobicContact CD2-CG 4.44Å; L619-P654 HydrophobicContact CG-CB 4.45Å; L619-P654 HydrophobicContact CG-CG 4.34Å; A622-P654 HydrophobicContact CB-CB 4Å; V643-P654 HydrophobicContact CG1-CB 3.86Å; T649-P654 WeakPolarHBondContact O-CD 3.25Å; E651-P654 WeakPolarHBondContact O-CD 3.4Å; P654-A658 WeakPolarHBondContact O-CB 3.42Å; P654-A658 PolarHBondContact O-N 3.45Å
655C97.8Very high97.2Very high0 Ų019.9 Ų19.90%011%0.109CC..Hα-helixtrans-64.6-44.2175.4-93.10000112.7G644 E651 S652 V653 A658 L659 I684G644-C655 PolarHBondContact O-SG 3Å; E651-C655 WeakPolarHBondContact O-CB 3.46Å; E651-C655 PolarHBondContact O-N 2.71Å; E651-C655 VanDerWaalsContact O-N 3.1Å; S652-C655 PolarHBondContact O-N 3.19Å; V653-C655 VanDerWaalsContact C-N 3.3Å; V653-C655 PolarHBondContact O-N 2.73Å; C655-A658 PolarHBondContact O-N 2.94Å; C655-L659 WeakPolarHBondContact O-CB 3.41Å; C655-L659 WeakPolarHBondContact O-CG 3.25Å; C655-L659 PolarHBondContact O-N 3.38Å; C655-I684 HydrophobicContact CB-CD1 4.21Å
656A98.4Very high97.2Very high0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-59-49.3177.200000111.3S652 V653 A658 L659 V660 I684 M687 A688S652-A656 WeakPolarHBondContact O-CB 3.46Å; S652-A656 PolarHBondContact O-N 3.16Å; V653-A656 PolarHBondContact O-N 3.3Å; A656-A658 VanDerWaalsContact C-N 3.33Å; A656-A658 PolarHBondContact O-N 2.94Å; A656-L659 PolarHBondContact O-N 3.39Å; A656-L659 VanDerWaalsContact O-N 3.13Å; A656-V660 WeakPolarHBondContact O-CG2 3.47Å; A656-V660 PolarHBondContact O-N 3.35Å; A656-V660 VanDerWaalsContact O-N 3.07Å; A656-I684 HydrophobicContact CB-CG2 4.16Å; A656-M687 HydrophobicContact CB-CB 3.99Å; A656-M687 HydrophobicContact CB-CE 4.02Å; A656-A688 HydrophobicContact CB-CB 4.17Å
657I98.5Very high97.2Very high0 Ų021.8 Ų21.80%011%0.114CC..Hα-helixtrans-58.8-44.2176.6-65.3-56.2000111.7V575 I576 W589 V593 L596 L619 L623 V653 L659 V660 E661 I691V575-I657 HydrophobicContact CG1-CD1 4.11Å; V575-I657 HydrophobicContact CG1-CG1 3.98Å; I576-I657 HydrophobicContact CD1-CD1 3.98Å; I576-I657 HydrophobicContact CD1-CG1 4.42Å; W589-I657 HydrophobicContact CH2-CD1 4.33Å; W589-I657 HydrophobicContact CH2-CG2 4.17Å; W589-I657 HydrophobicContact CZ2-CG2 4.4Å; V593-I657 HydrophobicContact CG2-CG2 4.08Å; L596-I657 HydrophobicContact CD1-CD1 3.62Å; L596-I657 HydrophobicContact CD1-CG1 4.02Å; L596-I657 HydrophobicContact CD1-CG2 3.81Å; L619-I657 HydrophobicContact CD2-CB 3.84Å; L619-I657 HydrophobicContact CD2-CG1 3.79Å; L619-I657 HydrophobicContact CD2-CG2 3.96Å; L623-I657 HydrophobicContact CD2-CG2 4.16Å; V653-I657 WeakPolarHBondContact O-CG1 3.07Å; V653-I657 PolarHBondContact O-N 3.16Å; V653-I657 VanDerWaalsContact O-N 3.08Å; I657-L659 VanDerWaalsContact C-N 3.3Å; I657-L659 PolarHBondContact O-N 3.31Å; I657-V660 PolarHBondContact O-N 3.07Å; I657-E661 PolarHBondContact O-N 3.19Å; I657-I691 HydrophobicContact CD1-CD1 3.51Å
658A98.2Very high97.3Very high0 Ų020.5 Ų20.50%010%0.104CC..Hα-helixtrans-66.9-31.1178.600000112.7A622 V626 L639 P654 C655 A656 E661 L662A622-A658 HydrophobicContact CB-CB 3.84Å; V626-A658 HydrophobicContact CG2-CB 3.84Å; L639-A658 HydrophobicContact CD1-CB 3.94Å; L639-A658 HydrophobicContact CD2-CB 3.7Å; L639-A658 HydrophobicContact CG-CB 4.49Å; P654-A658 WeakPolarHBondContact O-CB 3.42Å; P654-A658 PolarHBondContact O-N 3.45Å; C655-A658 PolarHBondContact O-N 2.94Å; A656-A658 VanDerWaalsContact C-N 3.33Å; A656-A658 PolarHBondContact O-N 2.94Å; A658-E661 WeakPolarHBondContact O-CB 3.44Å; A658-E661 PolarHBondContact O-N 3.29Å; A658-L662 WeakPolarHBondContact O-CB 3.32Å; A658-L662 PolarHBondContact O-N 2.96Å
659L98.3Very high97.4Very high0 Ų023.1 Ų23.10%011%0.11CC..Hα-helixtrans-73.8-30.5176.1-76163.6000113.1L639 C655 A656 I657 L662 A663 L673 L677 I684L639-L659 HydrophobicContact CD1-CD2 4.35Å; L639-L659 HydrophobicContact CD1-CG 4.27Å; C655-L659 WeakPolarHBondContact O-CB 3.41Å; C655-L659 WeakPolarHBondContact O-CG 3.25Å; C655-L659 PolarHBondContact O-N 3.38Å; A656-L659 PolarHBondContact O-N 3.39Å; A656-L659 VanDerWaalsContact O-N 3.13Å; I657-L659 VanDerWaalsContact C-N 3.3Å; I657-L659 PolarHBondContact O-N 3.31Å; L659-L662 HydrophobicContact CD2-CD2 4.19Å; L659-L662 PolarHBondContact O-N 2.82Å; L659-A663 WeakPolarHBondContact O-CB 3.49Å; L659-A663 PolarHBondContact O-N 3.07Å; L659-L673 HydrophobicContact CD2-CB 3.94Å; L659-L677 HydrophobicContact CD1-CD2 3.92Å; L659-I684 HydrophobicContact CD1-CG2 3.51Å
660V98.2Very high97.4Very high0 Ų023.1 Ų23.10%011%0.11CC..Hα-helixtrans-60.5-47.1168.7178.60000110.3W589 A656 I657 A663 Q664 T665 A688 I691W589-V660 HydrophobicContact CD2-CG1 3.94Å; W589-V660 HydrophobicContact CE3-CG1 4.06Å; W589-V660 HydrophobicContact CH2-CB 3.78Å; W589-V660 HydrophobicContact CH2-CG1 3.59Å; W589-V660 HydrophobicContact CH2-CG2 4.42Å; W589-V660 HydrophobicContact CZ2-CB 3.63Å; W589-V660 HydrophobicContact CZ2-CG1 3.46Å; W589-V660 VanDerWaalsContact CZ2-CG1 3.46Å; W589-V660 HydrophobicContact CZ3-CG1 3.91Å; A656-V660 WeakPolarHBondContact O-CG2 3.47Å; A656-V660 PolarHBondContact O-N 3.35Å; A656-V660 VanDerWaalsContact O-N 3.07Å; I657-V660 PolarHBondContact O-N 3.07Å; V660-A663 PolarHBondContact O-N 3.27Å; V660-Q664 PolarHBondContact O-N 3.36Å; V660-T665 HydrophobicContact CG1-CG2 4.1Å; V660-T665 PolarHBondContact O-N 3.22Å; V660-A688 HydrophobicContact CG2-CB 3.75Å; V660-A688 VanDerWaalsContact CG2-O 3.3Å; V660-A688 WeakPolarHBondContact CG2-O 3.49Å; V660-I691 HydrophobicContact CG1-CG2 4.06Å; V660-I691 HydrophobicContact CG2-CB 4.15Å; V660-I691 HydrophobicContact CG2-CD1 4.3Å; V660-I691 HydrophobicContact CG2-CG2 4.26Å
661E97.6Very high97.5Very high43 Ų4322.3 Ų22.320%0.20111%0.106CC..Hα-helixtrans-60.9-48.1175.4-179.183.3156.300111.2W589 L623 V626 R627 I657 A658 A663 Q664W589-E661 HydrophobicContact CZ2-CB 4.48Å; W589-E661 PolarHBondContact NE1-OE2 3.31Å; L623-E661 HydrophobicContact CD2-CB 4.26Å; L623-E661 HydrophobicContact CD2-CG 4.44Å; V626-E661 HydrophobicContact CG1-CB 4.22Å; V626-E661 HydrophobicContact CG1-CG 3.81Å; R627-E661 IonicContact CZ-OE1 3.82Å; R627-E661 IonicContact NE-OE1 3.92Å; R627-E661 PolarHBondContact NE-OE1 3.45Å; R627-E661 IonicContact NH2-OE1 3.27Å; I657-E661 PolarHBondContact O-N 3.19Å; A658-E661 WeakPolarHBondContact O-CB 3.44Å; A658-E661 PolarHBondContact O-N 3.29Å; E661-A663 VanDerWaalsContact C-N 3.31Å; E661-A663 PolarHBondContact O-N 2.75Å; E661-Q664 PolarHBondContact O-N 3.24Å
662L97.7Very high97.5Very high17 Ų1720.5 Ų20.59%0.08910%0.099CC..Hα-helixtrans-65.3-34.5-177.7-17661.7000112.8V626 T632 A635 A658 L659 Q664 R669 L673V626-L662 HydrophobicContact CG1-CB 3.72Å; V626-L662 HydrophobicContact CG1-CD1 3.94Å; V626-L662 HydrophobicContact CG1-CG 4.41Å; V626-L662 HydrophobicContact CG2-CB 4.21Å; T632-L662 HydrophobicContact CG2-CD2 4.17Å; T632-L662 HydrophobicContact CG2-CG 4.45Å; A635-L662 HydrophobicContact CB-CD1 3.66Å; A635-L662 HydrophobicContact CB-CD2 3.65Å; A635-L662 HydrophobicContact CB-CG 4.31Å; A658-L662 WeakPolarHBondContact O-CB 3.32Å; A658-L662 PolarHBondContact O-N 2.96Å; L659-L662 HydrophobicContact CD2-CD2 4.19Å; L659-L662 PolarHBondContact O-N 2.82Å; L662-Q664 PolarHBondContact O-N 2.95Å; L662-R669 PolarHBondContact O-NH2 3.28Å; L662-L673 HydrophobicContact CB-CD1 4.42Å; L662-L673 HydrophobicContact CD2-CD1 4.09Å; L662-L673 HydrophobicContact CG-CD1 3.95Å
663A97.3Very high97.5Very high0 Ų020.9 Ų20.90%010%0.101CC..THydrogen-bonded Turntrans-74.9-5.217500000113.1L659 V660 E661 T665 D666 R669 C670 L673L659-A663 WeakPolarHBondContact O-CB 3.49Å; L659-A663 PolarHBondContact O-N 3.07Å; V660-A663 PolarHBondContact O-N 3.27Å; E661-A663 VanDerWaalsContact C-N 3.31Å; E661-A663 PolarHBondContact O-N 2.75Å; A663-T665 PolarHBondContact O-N 2.84Å; A663-D666 PolarHBondContact O-N 3.47Å; A663-R669 HydrophobicContact CB-CB 4.43Å; A663-R669 HydrophobicContact CB-CG 4.28Å; A663-C670 VanDerWaalsContact CB-CA 3.5Å; A663-C670 HydrophobicContact CB-CB 3.5Å; A663-L673 HydrophobicContact CB-CD1 4.14Å
664Q96.3Very high97.5Very high142 Ų14220.9 Ų20.966%0.66410%0.101SC*.THydrogen-bonded Turntrans54.240.6-171.1-57.9173.6-47.400110.9V660 E661 L662 D666V660-Q664 PolarHBondContact O-N 3.36Å; E661-Q664 PolarHBondContact O-N 3.24Å; L662-Q664 PolarHBondContact O-N 2.95Å; Q664-D666 PolarHBondContact O-N 3.07Å; Q664-D666 VanDerWaalsContact O-N 3.07Å
665T96Very high97.5Very high22 Ų2220.9 Ų20.914%0.13510%0.101CC..THydrogen-bonded Turntrans64.31.1178.468.30000116.6W589 V660 A663 P667 C692 L695 H696W589-T665 HydrophobicContact CB-CG2 3.65Å; W589-T665 VanDerWaalsContact CD1-CG2 3.45Å; W589-T665 HydrophobicContact CD2-CG2 4.01Å; W589-T665 HydrophobicContact CG-CG2 3.38Å; V660-T665 HydrophobicContact CG1-CG2 4.1Å; V660-T665 PolarHBondContact O-N 3.22Å; A663-T665 PolarHBondContact O-N 2.84Å; T665-P667 WeakPolarHBondContact O-CD 3.48Å; T665-C692 WeakPolarHBondContact O-CB 3.38Å; T665-C692 PolarHBondContact O-SG 2.99Å; T665-L695 HydrophobicContact CG2-CD1 3.79Å; T665-H696 WeakPolarHBondContact CB-NE2 3.4Å; T665-H696 PolarHBondContact O-CD2 3.05Å; T665-H696 PolarHBondContact O-NE2 2.83Å; T665-H696 PolarHBondContact OG1-CE1 2.93Å; T665-H696 PolarHBondContact OG1-NE2 3.1Å
666D95.9Very high97.5Very high66 Ų6621.1 Ų21.135%0.35310%0.103SC..  trans-69.9117.7174.4172.1-2.5000110.6A663 Q664 N668 R669 C670A663-D666 PolarHBondContact O-N 3.47Å; Q664-D666 PolarHBondContact O-N 3.07Å; Q664-D666 VanDerWaalsContact O-N 3.07Å; D666-N668 VanDerWaalsContact C-N 3.31Å; D666-N668 PolarHBondContact O-N 2.84Å; D666-N668 WeakPolarHBondContact OD1-CB 3.24Å; D666-N668 PolarHBondContact OD1-N 3.44Å; D666-N668 PolarHBondContact OD1-ND2 3.31Å; D666-R669 HydrophobicContact CB-CB 3.98Å; D666-R669 PolarHBondContact O-N 3.3Å; D666-R669 PolarHBondContact OD1-N 3.46Å; D666-C670 WeakPolarHBondContact O-CB 3.47Å; D666-C670 PolarHBondContact O-N 3.11Å
667P95.2Very high97.4Very high2 Ų221.1 Ų21.11%0.01310%0.103CC..Hα-helixtrans-61.6-35.3-176.624.1-33000113.3L415 T665 C670 A671 C692 A700 I701L415-P667 HydrophobicContact CD2-CB 4.16Å; T665-P667 WeakPolarHBondContact O-CD 3.48Å; P667-C670 PolarHBondContact O-N 2.94Å; P667-A671 WeakPolarHBondContact O-CB 3.3Å; P667-A671 PolarHBondContact O-N 2.87Å; P667-C692 HydrophobicContact CB-CB 3.65Å; P667-C692 HydrophobicContact CG-CB 4.43Å; P667-A700 HydrophobicContact CG-CB 3.88Å; P667-I701 HydrophobicContact CB-CG1 4.37Å; P667-I701 HydrophobicContact CG-CG1 4.23Å
668N96.5Very high97.3Very high32 Ų3221.1 Ų21.117%0.17110%0.103CC..Hα-helixtrans-71.7-47.9-177.3-51.3-74.3000110.6D666 C670 A671 V672 A700 D702D666-N668 VanDerWaalsContact C-N 3.31Å; D666-N668 PolarHBondContact O-N 2.84Å; D666-N668 WeakPolarHBondContact OD1-CB 3.24Å; D666-N668 PolarHBondContact OD1-N 3.44Å; D666-N668 PolarHBondContact OD1-ND2 3.31Å; N668-C670 VanDerWaalsContact C-N 3.29Å; N668-C670 PolarHBondContact O-N 3.07Å; N668-A671 PolarHBondContact O-N 3.35Å; N668-V672 WeakPolarHBondContact O-CG2 3.18Å; N668-V672 PolarHBondContact O-N 3.43Å; N668-A700 PolarHBondContact ND2-O 2.89Å; N668-D702 WeakPolarHBondContact OD1-CB 3.46Å; N668-D702 PolarHBondContact OD1-N 2.9Å
669R97.2Very high97.2Very high82 Ų8221.7 Ų21.731%0.30911%0.108SC..Hα-helixtrans-61.3-42.2174.1-176.4175.5171.1-167.2-4.2110.4L662 A663 D666 V672 L673L662-R669 PolarHBondContact O-NH2 3.28Å; A663-R669 HydrophobicContact CB-CB 4.43Å; A663-R669 HydrophobicContact CB-CG 4.28Å; D666-R669 HydrophobicContact CB-CB 3.98Å; D666-R669 PolarHBondContact O-N 3.3Å; D666-R669 PolarHBondContact OD1-N 3.46Å; R669-V672 PolarHBondContact O-N 3.19Å; R669-L673 HydrophobicContact CG-CD1 4.25Å; R669-L673 HydrophobicContact CG-CG 4.37Å; R669-L673 VanDerWaalsContact O-CG 3.3Å; R669-L673 WeakPolarHBondContact O-CG 3.4Å; R669-L673 PolarHBondContact O-N 2.81Å
670C97.9Very high97.1Very high0 Ų021.9 Ų21.90%011%0.109CC..Hα-helixtrans-60.9-47.4179.5-162.90000111.8A663 D666 P667 N668 V672 L673 C674 A688 T689A663-C670 VanDerWaalsContact CB-CA 3.5Å; A663-C670 HydrophobicContact CB-CB 3.5Å; D666-C670 WeakPolarHBondContact O-CB 3.47Å; D666-C670 PolarHBondContact O-N 3.11Å; P667-C670 PolarHBondContact O-N 2.94Å; N668-C670 VanDerWaalsContact C-N 3.29Å; N668-C670 PolarHBondContact O-N 3.07Å; C670-V672 VanDerWaalsContact C-N 3.32Å; C670-V672 PolarHBondContact O-N 3.27Å; C670-L673 PolarHBondContact O-N 3.2Å; C670-C674 PolarHBondContact O-N 2.89Å; C670-C674 PolarHBondContact O-SG 2.99Å; C670-A688 VanDerWaalsContact SG-CB 3.58Å; C670-T689 HydrophobicContact CB-CG2 4.17Å
671A97.9Very high97.1Very high0 Ų021.9 Ų21.90%011%0.109CC..Hα-helixtrans-55.6-46.3176.100000112.1L415 M419 P667 N668 C674 A675 T689L415-A671 HydrophobicContact CD1-CB 4.46Å; L415-A671 HydrophobicContact CD2-CB 4.2Å; L415-A671 HydrophobicContact CG-CB 3.86Å; M419-A671 HydrophobicContact CB-CB 4.07Å; M419-A671 HydrophobicContact CG-CB 4.16Å; P667-A671 WeakPolarHBondContact O-CB 3.3Å; P667-A671 PolarHBondContact O-N 2.87Å; N668-A671 PolarHBondContact O-N 3.35Å; A671-C674 PolarHBondContact O-N 3.45Å; A671-A675 WeakPolarHBondContact O-CB 3.5Å; A671-A675 PolarHBondContact O-N 3.01Å; A671-T689 HydrophobicContact CB-CG2 3.82Å
672V98.1Very high97Very high25 Ų2519.8 Ų19.815%0.15210%0.099CC..Hα-helixtrans-62.7-43.3177.6166.90000111.9W437 I438 N668 R669 C670 A675 N676W437-V672 HydrophobicContact CZ2-CG1 3.55Å; I438-V672 WeakPolarHBondContact O-CG1 3.35Å; N668-V672 WeakPolarHBondContact O-CG2 3.18Å; N668-V672 PolarHBondContact O-N 3.43Å; R669-V672 PolarHBondContact O-N 3.19Å; C670-V672 VanDerWaalsContact C-N 3.32Å; C670-V672 PolarHBondContact O-N 3.27Å; V672-A675 PolarHBondContact O-N 3.14Å; V672-N676 PolarHBondContact O-N 3.36Å; V672-N676 PolarHBondContact O-ND2 3.12Å
673L98Very high97Very high7 Ų719.2 Ų19.24%0.03710%0.097CC..Hα-helixtrans-65.7-40.6178.5-65.4-177.5000112.1W437 T632 L659 L662 A663 R669 C670 N676 L677W437-L673 HydrophobicContact CH2-CD2 4.24Å; W437-L673 HydrophobicContact CZ2-CD2 4.46Å; T632-L673 HydrophobicContact CG2-CD1 4.1Å; T632-L673 HydrophobicContact CG2-CD2 3.3Å; T632-L673 HydrophobicContact CG2-CG 4.35Å; L659-L673 HydrophobicContact CD2-CB 3.94Å; L662-L673 HydrophobicContact CB-CD1 4.42Å; L662-L673 HydrophobicContact CD2-CD1 4.09Å; L662-L673 HydrophobicContact CG-CD1 3.95Å; A663-L673 HydrophobicContact CB-CD1 4.14Å; R669-L673 HydrophobicContact CG-CD1 4.25Å; R669-L673 HydrophobicContact CG-CG 4.37Å; R669-L673 VanDerWaalsContact O-CG 3.3Å; R669-L673 WeakPolarHBondContact O-CG 3.4Å; R669-L673 PolarHBondContact O-N 2.81Å; C670-L673 PolarHBondContact O-N 3.2Å; L673-N676 PolarHBondContact O-N 3.32Å; L673-L677 PolarHBondContact O-N 2.71Å
674C98.1Very high97.1Very high0 Ų019.2 Ų19.20%010%0.097CC..Hα-helixtrans-62.7-47.4176.7-620000111.3C670 A671 N676 L677 T681 I684 G685C670-C674 PolarHBondContact O-N 2.89Å; C670-C674 PolarHBondContact O-SG 2.99Å; A671-C674 PolarHBondContact O-N 3.45Å; C674-N676 PolarHBondContact O-N 3.17Å; C674-N676 VanDerWaalsContact O-N 3.15Å; C674-L677 VanDerWaalsContact O-CB 3.32Å; C674-L677 WeakPolarHBondContact O-CB 3.5Å; C674-L677 PolarHBondContact O-N 3.47Å; C674-T681 VanDerWaalsContact O-CG2 3.25Å; C674-T681 WeakPolarHBondContact O-CG2 3.3Å; C674-I684 HydrophobicContact CB-CG2 4.47Å; C674-G685 VanDerWaalsContact CB-CA 3.48Å
675A98.1Very high97.1Very high0 Ų012.5 Ų12.50%07%0.065CC..Hα-helixtrans-59.5-29178.800000113.8M419 S423 I438 A671 V672M419-A675 HydrophobicContact CG-CB 3.82Å; M419-A675 WeakPolarHBondContact O-CB 3.3Å; S423-A675 WeakPolarHBondContact CB-O 3.32Å; S423-A675 PolarHBondContact OG-O 3.47Å; I438-A675 HydrophobicContact CB-CB 4.13Å; I438-A675 HydrophobicContact CD1-CB 4.38Å; I438-A675 HydrophobicContact CG2-CB 3.98Å; A671-A675 WeakPolarHBondContact O-CB 3.5Å; A671-A675 PolarHBondContact O-N 3.01Å; V672-A675 PolarHBondContact O-N 3.14Å
676N98Very high97.2Very high6 Ų611.4 Ų11.43%0.0326%0.059CC..THydrogen-bonded Turntrans-97.55.1179.3-68.6-81000113.7R428 W437 I438 V672 L673 C674R428-N676 PolarHBondContact NH1-O 2.95Å; W437-N676 WeakPolarHBondContact CA-OD1 3.41Å; W437-N676 HydrophobicContact CE3-CB 3.84Å; W437-N676 VanDerWaalsContact CE3-CG 3.4Å; W437-N676 HydrophobicContact CH2-CB 3.84Å; W437-N676 HydrophobicContact CZ3-CB 3.47Å; W437-N676 VanDerWaalsContact CZ3-CB 3.47Å; I438-N676 PolarHBondContact N-ND2 3.1Å; I438-N676 PolarHBondContact N-OD1 3.27Å; I438-N676 PolarHBondContact O-ND2 2.88Å; V672-N676 PolarHBondContact O-N 3.36Å; V672-N676 PolarHBondContact O-ND2 3.12Å; L673-N676 PolarHBondContact O-N 3.32Å; C674-N676 PolarHBondContact O-N 3.17Å; C674-N676 VanDerWaalsContact O-N 3.15Å
677L97.4Very high97.3Very high0 Ų08.4 Ų8.40%04%0.042CC..THydrogen-bonded Turntrans-68.9-43.5-179.8-172.869.6000111.8R428 L639 Y640 A645 L659 L673 C674 T681 I684R428-L677 WeakPolarHBondContact CB-O 3.47Å; R428-L677 WeakPolarHBondContact CD-O 3.46Å; R428-L677 VanDerWaalsContact CG-O 3.25Å; R428-L677 WeakPolarHBondContact CG-O 3.42Å; R428-L677 VanDerWaalsContact NH1-CA 3.29Å; R428-L677 PolarHBondContact NH1-O 2.96Å; L639-L677 HydrophobicContact CB-CD1 4.48Å; Y640-L677 WeakPolarHBondContact CD2-O 3.22Å; A645-L677 HydrophobicContact CB-CD2 3.6Å; A645-L677 HydrophobicContact CB-CG 4.17Å; L659-L677 HydrophobicContact CD1-CD2 3.92Å; L673-L677 PolarHBondContact O-N 2.71Å; C674-L677 VanDerWaalsContact O-CB 3.32Å; C674-L677 WeakPolarHBondContact O-CB 3.5Å; C674-L677 PolarHBondContact O-N 3.47Å; L677-T681 HydrophobicContact CB-CG2 4.43Å; L677-I684 HydrophobicContact CD2-CD1 3.8Å; L677-I684 HydrophobicContact CD2-CG2 4.37Å
678G95.5Very high97.4Very high0 Ų08.3 Ų8.30%04%0.042CC..  trans80.5151.7-162.500000111.6Y640 A645Y640-G678 WeakPolarHBondContact CD2-O 3.19Å; Y640-G678 WeakPolarHBondContact CE2-O 3.32Å; A645-G678 VanDerWaalsContact CB-O 3.29Å; A645-G678 WeakPolarHBondContact CB-O 3.34Å
679G96.2Very high97.4Very high11 Ų116.8 Ų6.811%0.1133%0.034CC..BIsolated β-bridgetrans94.5-142.3-168.700000111.8L425 W426 A645 T681L425-G679 WeakPolarHBondContact CA-O 3.47Å; L425-G679 PolarHBondContact N-O 3.17Å; W426-G679 PolarHBondContact O-N 2.78Å; A645-G679 CarbonylContact O-C 3.51Å; A645-G679 VanDerWaalsContact O-CA 3.3Å; A645-G679 WeakPolarHBondContact O-CA 3.39Å; G679-T681 VanDerWaalsContact C-N 3.28Å; G679-T681 PolarHBondContact O-N 3.15Å
680D96.4Very high97.3Very high4 Ų42.9 Ų2.92%0.0212%0.019CC..SBendtrans-82.566.3-175.7-14838.1000111.1N531 A645 T647 I684N531-D680 PolarHBondContact ND2-OD2 3.19Å; A645-D680 PolarHBondContact O-N 3.03Å; T647-D680 WeakPolarHBondContact CA-OD2 3.41Å; T647-D680 HydrophobicContact CG2-CB 4.46Å; T647-D680 WeakPolarHBondContact CG2-OD1 3.26Å; T647-D680 WeakPolarHBondContact CG2-OD2 3.46Å; D680-I684 HydrophobicContact CB-CD1 4.5Å; D680-I684 VanDerWaalsContact O-CB 3.3Å; D680-I684 WeakPolarHBondContact O-CB 3.49Å; D680-I684 WeakPolarHBondContact O-CD1 3.35Å; D680-I684 WeakPolarHBondContact O-CG1 3.25Å; D680-I684 PolarHBondContact O-N 3.39Å
681T97.7Very high97.2Very high0 Ų02.9 Ų2.90%02%0.019CC..Hα-helixtrans-74.6-33-162.244.80000114.8G420 S423 E424 C674 L677 G679 G685G420-T681 PolarHBondContact O-OG1 3.34Å; S423-T681 VanDerWaalsContact C-OG1 3.26Å; S423-T681 PolarHBondContact OG-OG1 3.24Å; E424-T681 VanDerWaalsContact CA-OG1 3.28Å; E424-T681 WeakPolarHBondContact CA-OG1 3.45Å; E424-T681 PolarHBondContact N-OG1 3Å; E424-T681 VanDerWaalsContact N-OG1 3.12Å; C674-T681 VanDerWaalsContact O-CG2 3.25Å; C674-T681 WeakPolarHBondContact O-CG2 3.3Å; L677-T681 HydrophobicContact CB-CG2 4.43Å; G679-T681 VanDerWaalsContact C-N 3.28Å; G679-T681 PolarHBondContact O-N 3.15Å; T681-G685 WeakPolarHBondContact O-CA 3.46Å; T681-G685 PolarHBondContact O-N 3.21Å
682D96.6Very high97.1Very high0 Ų02.9 Ų2.90%02%0.019CC..Hα-helixtrans-67-50.8171.858.1-28.2000110.7E424 T460 D462 I684 G685 A686E424-D682 VanDerWaalsContact CD-OD2 3.32Å; E424-D682 VanDerWaalsContact CG-OD1 3.31Å; E424-D682 WeakPolarHBondContact CG-OD1 3.29Å; T460-D682 HydrophobicContact CG2-CB 4.28Å; T460-D682 WeakPolarHBondContact CG2-OD2 3.33Å; T460-D682 PolarHBondContact OG1-OD2 3.25Å; D462-D682 VanDerWaalsContact OD2-C 3.29Å; D682-I684 PolarHBondContact O-N 3.48Å; D682-G685 CarbonylContact O-C 3.57Å; D682-G685 WeakPolarHBondContact O-CA 3.46Å; D682-G685 PolarHBondContact O-N 3.04Å; D682-G685 VanDerWaalsContact O-N 3.12Å; D682-A686 VanDerWaalsContact O-CB 3.3Å; D682-A686 WeakPolarHBondContact O-CB 3.37Å; D682-A686 PolarHBondContact O-N 2.91Å
683T97.1Very high96.8Very high5 Ų51.7 Ų1.73%0.0311%0.012CC..Hα-helixtrans-64.2-45-179.5-59.30000112.5D462 N531 M535 G685 A686 M687D462-T683 WeakPolarHBondContact OD1-CB 3.3Å; D462-T683 PolarHBondContact OD1-OG1 3.13Å; D462-T683 WeakPolarHBondContact OD2-CA 3.28Å; D462-T683 PolarHBondContact OD2-N 3.39Å; D462-T683 PolarHBondContact OD2-OG1 3.06Å; N531-T683 HydrophobicContact CB-CG2 4.39Å; N531-T683 WeakPolarHBondContact ND2-CG2 3.49Å; M535-T683 HydrophobicContact CB-CG2 3.53Å; T683-G685 VanDerWaalsContact C-N 3.28Å; T683-G685 PolarHBondContact O-N 2.78Å; T683-A686 PolarHBondContact O-N 2.71Å; T683-M687 HydrophobicContact CG2-CE 3.93Å; T683-M687 WeakPolarHBondContact O-CG 3.42Å; T683-M687 PolarHBondContact O-N 2.84Å; T683-M687 VanDerWaalsContact O-N 3.11Å
684I98.4Very high96.4Very high0 Ų01.7 Ų1.70%01%0.013CC..Hα-helixtrans-62.7-41.2175.1-69.7170.3000110A645 C655 A656 L659 C674 L677 D680 D682 A688A645-I684 HydrophobicContact CB-CD1 4.01Å; C655-I684 HydrophobicContact CB-CD1 4.21Å; A656-I684 HydrophobicContact CB-CG2 4.16Å; L659-I684 HydrophobicContact CD1-CG2 3.51Å; C674-I684 HydrophobicContact CB-CG2 4.47Å; L677-I684 HydrophobicContact CD2-CD1 3.8Å; L677-I684 HydrophobicContact CD2-CG2 4.37Å; D680-I684 HydrophobicContact CB-CD1 4.5Å; D680-I684 VanDerWaalsContact O-CB 3.3Å; D680-I684 WeakPolarHBondContact O-CB 3.49Å; D680-I684 WeakPolarHBondContact O-CD1 3.35Å; D680-I684 WeakPolarHBondContact O-CG1 3.25Å; D680-I684 PolarHBondContact O-N 3.39Å; D682-I684 PolarHBondContact O-N 3.48Å; I684-A688 VanDerWaalsContact O-CB 3.24Å; I684-A688 WeakPolarHBondContact O-CB 3.5Å; I684-A688 PolarHBondContact O-N 3.03Å
685G97.8Very high96Very high0 Ų03.5 Ų3.50%02%0.022CC..Hα-helixtrans-58.4-53.7174.600000112C674 T681 D682 T683 M687 A688 T689C674-G685 VanDerWaalsContact CB-CA 3.48Å; T681-G685 WeakPolarHBondContact O-CA 3.46Å; T681-G685 PolarHBondContact O-N 3.21Å; D682-G685 CarbonylContact O-C 3.57Å; D682-G685 WeakPolarHBondContact O-CA 3.46Å; D682-G685 PolarHBondContact O-N 3.04Å; D682-G685 VanDerWaalsContact O-N 3.12Å; T683-G685 VanDerWaalsContact C-N 3.28Å; T683-G685 PolarHBondContact O-N 2.78Å; G685-M687 PolarHBondContact O-N 3.07Å; G685-A688 PolarHBondContact O-N 3.37Å; G685-T689 WeakPolarHBondContact O-CB 3.44Å; G685-T689 WeakPolarHBondContact O-CG2 3.45Å; G685-T689 PolarHBondContact O-N 3.04Å; G685-T689 PolarHBondContact O-OG1 2.9Å
686A96.8Very high95.5Very high0 Ų08 Ų80%04%0.043CC..Hα-helixtrans-52.2-55.8-179.700000110.9E413 D417 D462 D682 T683 A688 T689 A690E413-A686 HydrophobicContact CG-CB 3.68Å; D417-A686 HydrophobicContact CB-CB 4.05Å; D462-A686 HydrophobicContact CB-CB 3.89Å; D682-A686 VanDerWaalsContact O-CB 3.3Å; D682-A686 WeakPolarHBondContact O-CB 3.37Å; D682-A686 PolarHBondContact O-N 2.91Å; T683-A686 PolarHBondContact O-N 2.71Å; A686-A688 PolarHBondContact O-N 3.44Å; A686-T689 PolarHBondContact O-OG1 3.37Å; A686-A690 VanDerWaalsContact O-CB 3.23Å; A686-A690 WeakPolarHBondContact O-CB 3.32Å; A686-A690 PolarHBondContact O-N 3.07Å
687M97.9Very high94.8Very high2 Ų27.9 Ų7.91%0.014%0.044CC..Hα-helixtrans-62.2-46179.9-67.8-174.4-64.700112.7A534 I576 V653 A656 T683 G685 I691A534-M687 HydrophobicContact CB-SD 3.6Å; I576-M687 HydrophobicContact CD1-CB 4.03Å; I576-M687 HydrophobicContact CD1-CG 4.45Å; I576-M687 HydrophobicContact CD1-SD 4.13Å; I576-M687 HydrophobicContact CG1-CB 4.38Å; I576-M687 HydrophobicContact CG1-CG 4.28Å; I576-M687 HydrophobicContact CG1-SD 3.81Å; I576-M687 HydrophobicContact CG2-CB 4.4Å; I576-M687 HydrophobicContact CG2-CG 4.42Å; V653-M687 HydrophobicContact CG2-CE 4.22Å; V653-M687 HydrophobicContact CG2-SD 3.96Å; A656-M687 HydrophobicContact CB-CB 3.99Å; A656-M687 HydrophobicContact CB-CE 4.02Å; T683-M687 HydrophobicContact CG2-CE 3.93Å; T683-M687 WeakPolarHBondContact O-CG 3.42Å; T683-M687 PolarHBondContact O-N 2.84Å; T683-M687 VanDerWaalsContact O-N 3.11Å; G685-M687 PolarHBondContact O-N 3.07Å; M687-I691 WeakPolarHBondContact O-CG1 3.44Å; M687-I691 PolarHBondContact O-N 3.34Å
688A98.1Very high94Very high0 Ų08.2 Ų8.20%05%0.046CC..Hα-helixtrans-67.7-44.2-176.300000111.8A656 V660 C670 I684 G685 A686 I691 C692A656-A688 HydrophobicContact CB-CB 4.17Å; V660-A688 HydrophobicContact CG2-CB 3.75Å; V660-A688 VanDerWaalsContact CG2-O 3.3Å; V660-A688 WeakPolarHBondContact CG2-O 3.49Å; C670-A688 VanDerWaalsContact SG-CB 3.58Å; I684-A688 VanDerWaalsContact O-CB 3.24Å; I684-A688 WeakPolarHBondContact O-CB 3.5Å; I684-A688 PolarHBondContact O-N 3.03Å; G685-A688 PolarHBondContact O-N 3.37Å; A686-A688 PolarHBondContact O-N 3.44Å; A688-I691 WeakPolarHBondContact O-CB 3.4Å; A688-I691 PolarHBondContact O-N 3.45Å; A688-C692 PolarHBondContact O-N 2.75Å
689T96.7Very high93.3Very high0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-76.4-25.6-178.755.60000113.1G412 G416 C670 A671 G685 A686 I691 C692 G693G412-T689 WeakPolarHBondContact O-CB 3.33Å; G412-T689 PolarHBondContact O-OG1 2.83Å; G416-T689 VanDerWaalsContact CA-OG1 3.25Å; G416-T689 WeakPolarHBondContact CA-OG1 3.41Å; G416-T689 PolarHBondContact N-OG1 2.62Å; C670-T689 HydrophobicContact CB-CG2 4.17Å; A671-T689 HydrophobicContact CB-CG2 3.82Å; G685-T689 WeakPolarHBondContact O-CB 3.44Å; G685-T689 WeakPolarHBondContact O-CG2 3.45Å; G685-T689 PolarHBondContact O-N 3.04Å; G685-T689 PolarHBondContact O-OG1 2.9Å; A686-T689 PolarHBondContact O-OG1 3.37Å; T689-I691 VanDerWaalsContact C-N 3.31Å; T689-C692 PolarHBondContact O-N 2.79Å; T689-G693 PolarHBondContact O-N 2.85Å
690A95.4Very high92.8Very high0 Ų013.9 Ų13.90%08%0.078CC..Hα-helixtrans-59.2-43.3166.800000111.3E413 I580 A686 G693 A694E413-A690 HydrophobicContact CB-CB 4.02Å; E413-A690 HydrophobicContact CG-CB 4.49Å; I580-A690 HydrophobicContact CD1-CB 4.14Å; A686-A690 VanDerWaalsContact O-CB 3.23Å; A686-A690 WeakPolarHBondContact O-CB 3.32Å; A686-A690 PolarHBondContact O-N 3.07Å; A690-G693 PolarHBondContact O-N 3.31Å; A690-A694 PolarHBondContact O-N 3.48Å
691I96Very high92.5Very high0 Ų013.8 Ų13.80%08%0.078CC..Hα-helixtrans-65.2-46.5175.2-63.9165.6000110.8I576 A579 I580 W589 I657 V660 M687 A688 T689 G693 A694 L695I576-I691 HydrophobicContact CD1-CD1 4.07Å; A579-I691 HydrophobicContact CB-CD1 3.93Å; A579-I691 HydrophobicContact CB-CG1 4.07Å; A579-I691 HydrophobicContact CB-CG2 4.46Å; I580-I691 HydrophobicContact CG1-CG1 3.98Å; W589-I691 HydrophobicContact CE3-CG2 4.11Å; W589-I691 HydrophobicContact CH2-CG2 4.29Å; W589-I691 HydrophobicContact CZ3-CG2 3.57Å; I657-I691 HydrophobicContact CD1-CD1 3.51Å; V660-I691 HydrophobicContact CG1-CG2 4.06Å; V660-I691 HydrophobicContact CG2-CB 4.15Å; V660-I691 HydrophobicContact CG2-CD1 4.3Å; V660-I691 HydrophobicContact CG2-CG2 4.26Å; M687-I691 WeakPolarHBondContact O-CG1 3.44Å; M687-I691 PolarHBondContact O-N 3.34Å; A688-I691 WeakPolarHBondContact O-CB 3.4Å; A688-I691 PolarHBondContact O-N 3.45Å; T689-I691 VanDerWaalsContact C-N 3.31Å; I691-G693 VanDerWaalsContact C-N 3.29Å; I691-G693 PolarHBondContact O-N 2.82Å; I691-A694 WeakPolarHBondContact O-CB 3.5Å; I691-A694 PolarHBondContact O-N 2.82Å; I691-L695 HydrophobicContact CG2-CD1 4.08Å; I691-L695 WeakPolarHBondContact O-CG 3.16Å; I691-L695 PolarHBondContact O-N 2.9Å
692C95.4Very high92.1Very high0 Ų017.3 Ų17.30%010%0.097CC..Hα-helixtrans-58.7-40.8175.7-70.30000112.3T665 P667 A688 T689 L695 H696T665-C692 WeakPolarHBondContact O-CB 3.38Å; T665-C692 PolarHBondContact O-SG 2.99Å; P667-C692 HydrophobicContact CB-CB 3.65Å; P667-C692 HydrophobicContact CG-CB 4.43Å; A688-C692 PolarHBondContact O-N 2.75Å; T689-C692 PolarHBondContact O-N 2.79Å; C692-L695 PolarHBondContact O-N 3.34Å; C692-H696 PolarHBondContact O-CD2 3.44Å; C692-H696 PolarHBondContact O-N 3.23Å; C692-H696 VanDerWaalsContact O-N 3.11Å
693G91.2Very high91.6Very high0 Ų022.1 Ų22.10%013%0.128CC..Hα-helixtrans-61.5-45.2174.500000111.9A408 T689 A690 I691 L695 H696 G697A408-G693 WeakPolarHBondContact CB-O 3.35Å; T689-G693 PolarHBondContact O-N 2.85Å; A690-G693 PolarHBondContact O-N 3.31Å; I691-G693 VanDerWaalsContact C-N 3.29Å; I691-G693 PolarHBondContact O-N 2.82Å; G693-L695 VanDerWaalsContact C-N 3.27Å; G693-L695 PolarHBondContact O-N 2.89Å; G693-H696 PolarHBondContact O-N 3.21Å; G693-G697 WeakPolarHBondContact O-CA 3.48Å; G693-G697 PolarHBondContact O-N 2.71Å
694A90.3Very high91.2Very high8 Ų825.1 Ų25.17%0.06615%0.153CC..Hα-helixtrans-57.3-40.1175.800000112.7L409 I580 A583 I584 A690 I691L409-A694 HydrophobicContact CD1-CB 3.41Å; L409-A694 VanDerWaalsContact CD1-CB 3.41Å; I580-A694 HydrophobicContact CG1-CB 4.49Å; I580-A694 HydrophobicContact CG2-CB 4.26Å; A583-A694 HydrophobicContact CB-CB 3.54Å; I584-A694 HydrophobicContact CG1-CB 4.45Å; A690-A694 PolarHBondContact O-N 3.48Å; I691-A694 WeakPolarHBondContact O-CB 3.5Å; I691-A694 PolarHBondContact O-N 2.82Å
695L89.4Confident90.8Very high38 Ų3826.2 Ų26.220%0.19916%0.159CC..Hα-helixtrans-72.8-40.9-177.4-74.3165.9000113.1A583 W589 I592 T665 I691 C692 G693A583-L695 HydrophobicContact CB-CD2 3.62Å; A583-L695 HydrophobicContact CB-CG 3.76Å; W589-L695 HydrophobicContact CB-CD1 4.09Å; W589-L695 HydrophobicContact CB-CD2 4.32Å; W589-L695 HydrophobicContact CD2-CD1 4.27Å; W589-L695 HydrophobicContact CE3-CD1 3.92Å; W589-L695 HydrophobicContact CG-CD1 4.36Å; I592-L695 HydrophobicContact CD1-CD2 3.97Å; T665-L695 HydrophobicContact CG2-CD1 3.79Å; I691-L695 HydrophobicContact CG2-CD1 4.08Å; I691-L695 WeakPolarHBondContact O-CG 3.16Å; I691-L695 PolarHBondContact O-N 2.9Å; C692-L695 PolarHBondContact O-N 3.34Å; G693-L695 VanDerWaalsContact C-N 3.27Å; G693-L695 PolarHBondContact O-N 2.89Å
696H87.2Confident90.4Very high93 Ų9329 Ų2943%0.43117%0.171SC..Hα-helixtrans-116.6-6.1-166.2-62.7-69.2000115.3T665 C692 G693 A700T665-H696 WeakPolarHBondContact CB-NE2 3.4Å; T665-H696 PolarHBondContact O-CD2 3.05Å; T665-H696 PolarHBondContact O-NE2 2.83Å; T665-H696 PolarHBondContact OG1-CE1 2.93Å; T665-H696 PolarHBondContact OG1-NE2 3.1Å; C692-H696 PolarHBondContact O-CD2 3.44Å; C692-H696 PolarHBondContact O-N 3.23Å; C692-H696 VanDerWaalsContact O-N 3.11Å; G693-H696 PolarHBondContact O-N 3.21Å; H696-A700 HydrophobicContact CB-CB 3.46Å; H696-A700 VanDerWaalsContact CB-CB 3.46Å
697G83.7Confident89.8Confident5 Ų531.9 Ų31.95%0.05219%0.194CC..  trans79169.4-177.200000113.1G693 N699 A700G693-G697 WeakPolarHBondContact O-CA 3.48Å; G693-G697 PolarHBondContact O-N 2.71Å; G697-N699 PolarHBondContact O-N 2.97Å; G697-A700 PolarHBondContact O-N 3.45Å
698V80.5Confident89.5Confident7 Ų734 Ų344%0.04220%0.204CC..G310 helixtrans-62.2-30.5-17863.10000112.8I407 A408 A700 I701 K706I407-V698 HydrophobicContact CB-CB 4.46Å; I407-V698 HydrophobicContact CB-CG1 4.05Å; I407-V698 HydrophobicContact CG2-CB 4.09Å; I407-V698 HydrophobicContact CG2-CG1 3.78Å; I407-V698 HydrophobicContact CG2-CG2 4.43Å; A408-V698 HydrophobicContact CB-CB 4.26Å; V698-A700 PolarHBondContact O-N 3.19Å; V698-I701 WeakPolarHBondContact O-CB 3.35Å; V698-I701 PolarHBondContact O-N 3.03Å; V698-I701 VanDerWaalsContact O-N 3.11Å; V698-K706 HydrophobicContact CG2-CD 3.95Å
699N80Confident89Confident96 Ų9634.1 Ų34.151%0.51321%0.205SC..G310 helixtrans-70.2-12.8-176.3-66-36.3000113.1D404 G697 I701D404-N699 PolarHBondContact OD2-ND2 3.31Å; G697-N699 PolarHBondContact O-N 2.97Å; N699-I701 VanDerWaalsContact C-N 3.31Å
700A86.5Confident88.4Confident33 Ų3336.1 Ų36.127%0.27322%0.216SC..G310 helixtrans-78-17.6173.500000112.8P667 N668 H696 G697 V698P667-A700 HydrophobicContact CG-CB 3.88Å; N668-A700 PolarHBondContact ND2-O 2.89Å; H696-A700 HydrophobicContact CB-CB 3.46Å; H696-A700 VanDerWaalsContact CB-CB 3.46Å; G697-A700 PolarHBondContact O-N 3.45Å; V698-A700 PolarHBondContact O-N 3.19Å
701I89.7Confident87.9Confident3 Ų338.2 Ų38.22%0.01523%0.233CC..SBendtrans-76.1136175.3-56.8175000109.1Q411 L415 P667 V698 N699 P703 K706Q411-I701 HydrophobicContact CB-CD1 4Å; L415-I701 HydrophobicContact CD1-CG2 4.34Å; L415-I701 HydrophobicContact CD2-CD1 4.42Å; L415-I701 HydrophobicContact CD2-CG1 4.13Å; L415-I701 HydrophobicContact CD2-CG2 3.85Å; P667-I701 HydrophobicContact CB-CG1 4.37Å; P667-I701 HydrophobicContact CG-CG1 4.23Å; V698-I701 WeakPolarHBondContact O-CB 3.35Å; V698-I701 PolarHBondContact O-N 3.03Å; V698-I701 VanDerWaalsContact O-N 3.11Å; N699-I701 VanDerWaalsContact C-N 3.31Å; I701-P703 WeakPolarHBondContact O-CD 3.37Å; I701-P703 VanDerWaalsContact O-N 3.15Å; I701-K706 HydrophobicContact CG2-CB 4.04Å
702D89.2Confident87.5Confident74 Ų7440.6 Ų40.640%0.39625%0.247SC..  trans-51.3120.7175.8-176.2-42.1000109.3N668 A704 L705 K706N668-D702 WeakPolarHBondContact OD1-CB 3.46Å; N668-D702 PolarHBondContact OD1-N 2.9Å; D702-A704 PolarHBondContact O-N 2.77Å; D702-A704 VanDerWaalsContact O-N 3.1Å; D702-A704 VanDerWaalsContact OD1-CB 3.31Å; D702-A704 WeakPolarHBondContact OD1-CB 3.44Å; D702-A704 PolarHBondContact OD1-N 3.41Å; D702-L705 HydrophobicContact CB-CB 4.17Å; D702-L705 HydrophobicContact CB-CD1 3.94Å; D702-L705 HydrophobicContact CB-CG 3.97Å; D702-L705 PolarHBondContact O-N 3.05Å; D702-K706 WeakPolarHBondContact O-CB 3.42Å; D702-K706 PolarHBondContact O-N 3.4Å
703P87.1Confident87.1Confident101 Ų10142.1 Ų42.166%0.65626%0.255SS*.Hα-helixtrans-55.6-31-177.3-27.835000114.1I701 A707I701-P703 WeakPolarHBondContact O-CD 3.37Å; I701-P703 VanDerWaalsContact O-N 3.15Å; P703-A707 WeakPolarHBondContact O-CB 3.36Å; P703-A707 PolarHBondContact O-N 2.92Å
704A88.1Confident86.4Confident67 Ų6750 Ų5055%0.55429%0.292SS*.Hα-helixtrans-71.9-43177.700000111.6D702 E708D702-A704 PolarHBondContact O-N 2.77Å; D702-A704 VanDerWaalsContact O-N 3.1Å; D702-A704 VanDerWaalsContact OD1-CB 3.31Å; D702-A704 WeakPolarHBondContact OD1-CB 3.44Å; D702-A704 PolarHBondContact OD1-N 3.41Å; A704-E708 WeakPolarHBondContact O-CB 3.26Å; A704-E708 PolarHBondContact O-N 2.92Å; A704-E708 VanDerWaalsContact O-N 3.1Å
705L90.1Very high85.4Confident24 Ų2452.1 Ų52.113%0.12630%0.302CS..Hα-helixtrans-65.3-45.9175-64.3179.4000110.5L415 M419 F441 D702 A707 E708 L709L415-L705 HydrophobicContact CD1-CB 4.13Å; L415-L705 HydrophobicContact CD1-CD1 3.97Å; M419-L705 HydrophobicContact CE-CD1 3.96Å; M419-L705 HydrophobicContact CE-CD2 4.2Å; F441-L705 HydrophobicContact CD2-CD2 3.94Å; F441-L705 HydrophobicContact CE2-CB 3.83Å; F441-L705 HydrophobicContact CE2-CD2 3.62Å; F441-L705 HydrophobicContact CE2-CG 4.31Å; F441-L705 WeakPolarHBondContact CE2-O 3.18Å; F441-L705 HydrophobicContact CZ-CB 4.07Å; F441-L705 HydrophobicContact CZ-CD2 4.15Å; D702-L705 HydrophobicContact CB-CB 4.17Å; D702-L705 HydrophobicContact CB-CD1 3.94Å; D702-L705 HydrophobicContact CB-CG 3.97Å; D702-L705 PolarHBondContact O-N 3.05Å; L705-A707 PolarHBondContact O-N 3.36Å; L705-E708 PolarHBondContact O-N 3.2Å; L705-L709 PolarHBondContact O-N 2.98Å
706K88Confident84.7Confident58 Ų5854.9 Ų54.925%0.25232%0.317SS..Hα-helixtrans-57.2-49.1176.1-175.1-172.3176.6-58.10111.8V698 I701 D702 E708 L709 D710V698-K706 HydrophobicContact CG2-CD 3.95Å; I701-K706 HydrophobicContact CG2-CB 4.04Å; D702-K706 WeakPolarHBondContact O-CB 3.42Å; D702-K706 PolarHBondContact O-N 3.4Å; K706-E708 VanDerWaalsContact C-N 3.25Å; K706-E708 PolarHBondContact O-N 2.95Å; K706-L709 PolarHBondContact O-N 2.97Å; K706-D710 IonicContact NZ-OD2 2.82Å; K706-D710 PolarHBondContact NZ-OD2 2.87Å; K706-D710 WeakPolarHBondContact O-CB 3.22Å; K706-D710 VanDerWaalsContact O-CG 3.29Å; K706-D710 PolarHBondContact O-N 2.85Å
707A86.3Confident84.1Confident60 Ų6050.6 Ų50.650%0.49630%0.297SS..Hα-helixtrans-62.2-34.9179.900000112.3P703 L705 A711P703-A707 WeakPolarHBondContact O-CB 3.36Å; P703-A707 PolarHBondContact O-N 2.92Å; L705-A707 PolarHBondContact O-N 3.36Å; A707-A711 WeakPolarHBondContact O-CB 3.31Å; A707-A711 PolarHBondContact O-N 3.2Å; A707-A711 VanDerWaalsContact O-N 3.08Å
708E90.3Very high83.6Confident48 Ų4854 Ų5422%0.22432%0.315CS..Hα-helixtrans-69.9-47175.7-172.2169.1-171.500112.2F441 R456 A457 A704 L705 K706 D710 A711 V712F441-E708 HydrophobicContact CD2-CB 4.35Å; F441-E708 HydrophobicContact CD2-CG 4.2Å; F441-E708 HydrophobicContact CE2-CB 4.38Å; R456-E708 WeakPolarHBondContact CD-OE1 3.45Å; R456-E708 IonicContact CZ-OE1 3.23Å; R456-E708 IonicContact CZ-OE2 3.92Å; R456-E708 IonicContact NE-OE1 2.65Å; R456-E708 PolarHBondContact NE-OE1 2.94Å; R456-E708 IonicContact NE-OE2 3.79Å; R456-E708 IonicContact NH1-OE1 3.45Å; R456-E708 VanDerWaalsContact NH2-CD 3.27Å; R456-E708 IonicContact NH2-OE1 2.71Å; R456-E708 PolarHBondContact NH2-OE1 2.87Å; R456-E708 IonicContact NH2-OE2 2.79Å; R456-E708 PolarHBondContact NH2-OE2 3.17Å; A457-E708 HydrophobicContact CB-CG 3.88Å; A704-E708 WeakPolarHBondContact O-CB 3.26Å; A704-E708 PolarHBondContact O-N 2.92Å; A704-E708 VanDerWaalsContact O-N 3.1Å; L705-E708 PolarHBondContact O-N 3.2Å; K706-E708 VanDerWaalsContact C-N 3.25Å; K706-E708 PolarHBondContact O-N 2.95Å; E708-D710 VanDerWaalsContact C-N 3.35Å; E708-D710 PolarHBondContact O-N 3.34Å; E708-A711 PolarHBondContact O-N 3.41Å; E708-V712 WeakPolarHBondContact O-CG2 3.32Å; E708-V712 PolarHBondContact O-N 3.29Å
709L88.2Confident83.5Confident2 Ų260.6 Ų60.61%0.0134%0.338CS..Hα-helixtrans-54-50.1174.2-79.9164.2000111.8A414 L415 A418 F441 L705 K706 A711 V712 N713A414-L709 HydrophobicContact CB-CD2 4.45Å; L415-L709 HydrophobicContact CB-CD1 3.94Å; L415-L709 HydrophobicContact CD1-CD1 4.09Å; A418-L709 HydrophobicContact CB-CD2 3.72Å; F441-L709 HydrophobicContact CE1-CD2 4.13Å; F441-L709 HydrophobicContact CE1-CG 4.3Å; F441-L709 HydrophobicContact CE2-CD1 4.32Å; F441-L709 HydrophobicContact CE2-CD2 4.35Å; F441-L709 HydrophobicContact CE2-CG 3.8Å; F441-L709 HydrophobicContact CZ-CD1 3.68Å; F441-L709 HydrophobicContact CZ-CD2 3.78Å; F441-L709 HydrophobicContact CZ-CG 3.47Å; F441-L709 VanDerWaalsContact CZ-CG 3.47Å; L705-L709 PolarHBondContact O-N 2.98Å; K706-L709 PolarHBondContact O-N 2.97Å; L709-A711 VanDerWaalsContact C-N 3.33Å; L709-A711 PolarHBondContact O-N 2.97Å; L709-V712 PolarHBondContact O-N 3.38Å; L709-N713 PolarHBondContact O-N 2.75Å; L709-N713 PolarHBondContact O-ND2 3.04Å
710D84.4Confident83.6Confident42 Ų4256.6 Ų56.623%0.22532%0.316CS..Hα-helixtrans-63.4-40.8-179.2-70.4-19.2000111.1Q411 K706 E708 Q714Q411-D710 PolarHBondContact NE2-OD1 3.05Å; Q411-D710 PolarHBondContact NE2-OD2 3.03Å; K706-D710 IonicContact NZ-OD2 2.82Å; K706-D710 PolarHBondContact NZ-OD2 2.87Å; K706-D710 WeakPolarHBondContact O-CB 3.22Å; K706-D710 VanDerWaalsContact O-CG 3.29Å; K706-D710 PolarHBondContact O-N 2.85Å; E708-D710 VanDerWaalsContact C-N 3.35Å; E708-D710 PolarHBondContact O-N 3.34Å; D710-Q714 WeakPolarHBondContact O-CA 3.33Å; D710-Q714 PolarHBondContact O-N 3.39Å
711A84.5Confident83.1Confident43 Ų4355.5 Ų55.536%0.35531%0.307SS..Hα-helixtrans-70.7-31.3-178.100000113.9A707 E708 L709A707-A711 WeakPolarHBondContact O-CB 3.31Å; A707-A711 PolarHBondContact O-N 3.2Å; A707-A711 VanDerWaalsContact O-N 3.08Å; E708-A711 PolarHBondContact O-N 3.41Å; L709-A711 VanDerWaalsContact C-N 3.33Å; L709-A711 PolarHBondContact O-N 2.97Å
712V88.1Confident82.2Confident51 Ų5160 Ų6031%0.30934%0.335SS..Hα-helixtrans-82-47.7-179.9170.10000110.8A457 E458 E708 L709A457-V712 HydrophobicContact CB-CB 4.38Å; A457-V712 HydrophobicContact CB-CG2 4.14Å; E458-V712 HydrophobicContact CB-CG1 4.45Å; E458-V712 HydrophobicContact CG-CG1 3.47Å; E458-V712 VanDerWaalsContact CG-CG1 3.47Å; E708-V712 WeakPolarHBondContact O-CG2 3.32Å; E708-V712 PolarHBondContact O-N 3.29Å; L709-V712 PolarHBondContact O-N 3.38Å
713N85.4Confident81.7Confident32 Ų3257.3 Ų57.317%0.17132%0.323CS..Hα-helixtrans-90-17.7-171.6-59.5-73.9000114.1A457 F459 L709 L715A457-N713 PolarHBondContact O-ND2 2.79Å; F459-N713 HydrophobicContact CD1-CB 4.03Å; F459-N713 VanDerWaalsContact CD1-CG 3.42Å; F459-N713 WeakPolarHBondContact CD1-OD1 3.32Å; F459-N713 HydrophobicContact CE1-CB 3.48Å; F459-N713 VanDerWaalsContact CE1-CB 3.48Å; F459-N713 WeakPolarHBondContact CE1-OD1 3.4Å; F459-N713 HydrophobicContact CZ-CB 4.24Å; L709-N713 PolarHBondContact O-N 2.75Å; L709-N713 PolarHBondContact O-ND2 3.04Å; N713-L715 VanDerWaalsContact C-N 3.26Å; N713-L715 HydrophobicContact CB-CD1 4.45Å; N713-L715 PolarHBondContact O-N 3.18Å
714Q78Confident81.6Confident164 Ų16452.7 Ų52.777%0.76629%0.293SS*.  trans54.235.4173.9-57.317830.700114.7D710D710-Q714 WeakPolarHBondContact O-CA 3.33Å; D710-Q714 PolarHBondContact O-N 3.39Å
715L69.6Low81Confident54 Ų5450.2 Ų50.228%0.28327%0.272SS..  trans-104.1138.2179.3-81.4157000111.8F459 L467 N713 F717F459-L715 HydrophobicContact CE1-CD1 3.6Å; F459-L715 HydrophobicContact CZ-CD1 3.36Å; L467-L715 HydrophobicContact CD1-CD1 3.49Å; L467-L715 VanDerWaalsContact CD1-CD1 3.49Å; L467-L715 HydrophobicContact CD1-CD2 4.4Å; N713-L715 VanDerWaalsContact C-N 3.26Å; N713-L715 HydrophobicContact CB-CD1 4.45Å; N713-L715 PolarHBondContact O-N 3.18Å; L715-F717 HydrophobicContact CB-CE1 4.39Å; L715-F717 HydrophobicContact CB-CE2 4.26Å; L715-F717 HydrophobicContact CB-CZ 4.23Å; L715-F717 PolarHBondContact O-N 3.33Å
716D73.6Confident80.1Confident96 Ų9654.6 Ų54.651%0.51329%0.29SS..  trans-88.982.9174.2-175.813.1000110.3N718 R719D716-N718 PolarHBondContact O-N 2.82Å; D716-N718 WeakPolarHBondContact OD1-CB 3.49Å; D716-N718 PolarHBondContact OD1-N 3.14Å; D716-R719 HydrophobicContact CB-CB 4.49Å; D716-R719 WeakPolarHBondContact O-CB 3.35Å; D716-R719 PolarHBondContact O-N 3.01Å; D716-R719 VanDerWaalsContact O-N 3.14Å
717F75.7Confident79.8Confident3 Ų353.1 Ų53.11%0.01328%0.283CS..Hα-helixtrans-60.8-25.8179.1-66.1-67.3000113.2T410 Q411 A414 F459 L467 L715 R719 Y720 A721T410-F717 HydrophobicContact CG2-CD1 4.34Å; T410-F717 WeakPolarHBondContact OG1-CB 3.19Å; T410-F717 WeakPolarHBondContact OG1-CD1 3.2Å; Q411-F717 HydrophobicContact CG-CB 3.94Å; Q411-F717 HydrophobicContact CG-CD1 4.39Å; Q411-F717 HydrophobicContact CG-CD2 3.23Å; Q411-F717 HydrophobicContact CG-CE2 3.63Å; Q411-F717 HydrophobicContact CG-CG 3.61Å; Q411-F717 HydrophobicContact CG-CZ 4.33Å; A414-F717 HydrophobicContact CB-CZ 4.07Å; F459-F717 HydrophobicContact CE1-CZ 4.42Å; L467-F717 HydrophobicContact CD2-CE1 4.33Å; L715-F717 HydrophobicContact CB-CE1 4.39Å; L715-F717 HydrophobicContact CB-CE2 4.26Å; L715-F717 HydrophobicContact CB-CZ 4.23Å; L715-F717 PolarHBondContact O-N 3.33Å; F717-R719 PolarHBondContact O-N 3.42Å; F717-Y720 PolarHBondContact O-N 3.25Å; F717-A721 PolarHBondContact O-N 3.2Å
718N71.3Confident79.6Confident77 Ų7750.9 Ų50.941%0.41226%0.262SS..Hα-helixtrans-62.6-30.4176.7-62.4-53.6000112.5I407 D716 T722I407-N718 WeakPolarHBondContact CG2-OD1 3.45Å; D716-N718 PolarHBondContact O-N 2.82Å; D716-N718 WeakPolarHBondContact OD1-CB 3.49Å; D716-N718 PolarHBondContact OD1-N 3.14Å; N718-T722 WeakPolarHBondContact O-CB 3.29Å; N718-T722 PolarHBondContact O-N 3.28Å; N718-T722 PolarHBondContact O-OG1 3.44Å
719R79.1Confident78.5Confident144 Ų14454.2 Ų54.254%0.54328%0.278SS..Hα-helixtrans-61.6-46.5177179-175.9169-158-8.4111.1D716 F717 A723D716-R719 HydrophobicContact CB-CB 4.49Å; D716-R719 WeakPolarHBondContact O-CB 3.35Å; D716-R719 PolarHBondContact O-N 3.01Å; D716-R719 VanDerWaalsContact O-N 3.14Å; F717-R719 PolarHBondContact O-N 3.42Å; R719-A723 WeakPolarHBondContact O-CB 3.37Å; R719-A723 PolarHBondContact O-N 3.07Å
720Y83Confident77.4Confident13 Ų1359.2 Ų59.25%0.05130%0.301CS..Hα-helixtrans-68.7-48.1-179.1-62.9-73.1000110.9L467 A470 D471 L474 F717 T722 A723 L724L467-Y720 HydrophobicContact CD2-CD2 3.96Å; L467-Y720 HydrophobicContact CD2-CE2 3.57Å; A470-Y720 HydrophobicContact CB-CD1 3.61Å; A470-Y720 HydrophobicContact CB-CE1 3.94Å; A470-Y720 HydrophobicContact CB-CG 4.4Å; D471-Y720 WeakPolarHBondContact OD1-CE1 3.46Å; D471-Y720 PolarHBondContact OD1-OH 2.84Å; L474-Y720 HydrophobicContact CD1-CD1 4.41Å; L474-Y720 HydrophobicContact CD2-CD1 3.86Å; L474-Y720 HydrophobicContact CD2-CE1 4.23Å; F717-Y720 PolarHBondContact O-N 3.25Å; Y720-T722 PolarHBondContact O-N 3.11Å; Y720-A723 PolarHBondContact O-N 3.34Å; Y720-L724 WeakPolarHBondContact O-CB 3.29Å; Y720-L724 WeakPolarHBondContact O-CG 3.32Å; Y720-L724 PolarHBondContact O-N 2.72Å
721A76Confident76.7Confident10 Ų1061.4 Ų61.48%0.08331%0.306CS..Hα-helixtrans-48-57.6174.700000112.6D406 I407 F717 A723 L724 A725D406-A721 WeakPolarHBondContact O-CB 3.25Å; I407-A721 HydrophobicContact CG1-CB 4.42Å; F717-A721 PolarHBondContact O-N 3.2Å; A721-A723 VanDerWaalsContact C-N 3.3Å; A721-A723 PolarHBondContact O-N 2.67Å; A721-L724 PolarHBondContact O-N 3.02Å; A721-A725 WeakPolarHBondContact O-CB 3.28Å; A721-A725 PolarHBondContact O-N 3.21Å
722T71Confident76Confident96 Ų9661.6 Ų61.659%0.58930%0.299SS*.Hα-helixtrans-60.8-40.1-177.4-53.40000112N718 Y720 K726N718-T722 WeakPolarHBondContact O-CB 3.29Å; N718-T722 PolarHBondContact O-N 3.28Å; N718-T722 PolarHBondContact O-OG1 3.44Å; Y720-T722 PolarHBondContact O-N 3.11Å; T722-K726 WeakPolarHBondContact O-CB 3.37Å; T722-K726 PolarHBondContact O-N 3.29Å
723A78.2Confident75.1Confident19 Ų1960.6 Ų60.616%0.15730%0.297CS..Hα-helixtrans-72.4-45.7-178.600000112L474 R719 Y720 A721 K726 Y727L474-A723 HydrophobicContact CD1-CB 3.79Å; L474-A723 HydrophobicContact CD2-CB 3.85Å; L474-A723 HydrophobicContact CG-CB 3.68Å; R719-A723 WeakPolarHBondContact O-CB 3.37Å; R719-A723 PolarHBondContact O-N 3.07Å; Y720-A723 PolarHBondContact O-N 3.34Å; A721-A723 VanDerWaalsContact C-N 3.3Å; A721-A723 PolarHBondContact O-N 2.67Å; A723-K726 WeakPolarHBondContact O-CB 3.29Å; A723-K726 PolarHBondContact O-N 3.49Å; A723-Y727 HydrophobicContact CB-CE2 4.09Å; A723-Y727 WeakPolarHBondContact O-CD2 3.49Å; A723-Y727 PolarHBondContact O-N 2.98Å
724L85.5Confident74.9Confident4 Ų461.1 Ų61.12%0.02130%0.302CS..Hα-helixtrans-64.9-41179.6-68.3170000111.6L473 L474 P539 C542 L543 Y720 A721 K726 Y727 R728L473-L724 HydrophobicContact CB-CD2 4.35Å; L473-L724 HydrophobicContact CD1-CD2 3.93Å; L474-L724 HydrophobicContact CD1-CD2 4.12Å; L474-L724 HydrophobicContact CD1-CG 4.23Å; P539-L724 HydrophobicContact CB-CD1 3.99Å; C542-L724 HydrophobicContact CB-CB 4Å; C542-L724 HydrophobicContact CB-CD1 4.05Å; L543-L724 HydrophobicContact CB-CD2 4.35Å; Y720-L724 WeakPolarHBondContact O-CB 3.29Å; Y720-L724 WeakPolarHBondContact O-CG 3.32Å; Y720-L724 PolarHBondContact O-N 2.72Å; A721-L724 PolarHBondContact O-N 3.02Å; L724-K726 VanDerWaalsContact C-N 3.35Å; L724-K726 PolarHBondContact O-N 3.49Å; L724-Y727 PolarHBondContact O-N 3.39Å; L724-R728 WeakPolarHBondContact O-CB 3.43Å; L724-R728 PolarHBondContact O-N 2.92Å
725A74.1Confident75.5Confident14 Ų1453.6 Ų53.612%0.11627%0.267CS..Hα-helixtrans-59.2-45.2174.500000111.9D406 A721 Y727 R728 Q729D406-A725 HydrophobicContact CB-CB 4.06Å; D406-A725 VanDerWaalsContact CG-CB 3.43Å; D406-A725 WeakPolarHBondContact OD2-CB 3.47Å; A721-A725 WeakPolarHBondContact O-CB 3.28Å; A721-A725 PolarHBondContact O-N 3.21Å; A725-Y727 PolarHBondContact O-N 3.19Å; A725-R728 PolarHBondContact O-N 3.23Å; A725-Q729 WeakPolarHBondContact O-CG 3.49Å; A725-Q729 PolarHBondContact O-N 3.01Å; A725-Q729 VanDerWaalsContact O-N 3.09Å
726K72.8Confident76.6Confident116 Ų11651.6 Ų51.650%0.50426%0.257SS..Hα-helixtrans-58.5-45.4174.4179.4-169.5172.6-165.80111.9T722 A723 L724 Q729 Q730T722-K726 WeakPolarHBondContact O-CB 3.37Å; T722-K726 PolarHBondContact O-N 3.29Å; A723-K726 WeakPolarHBondContact O-CB 3.29Å; A723-K726 PolarHBondContact O-N 3.49Å; L724-K726 VanDerWaalsContact C-N 3.35Å; L724-K726 PolarHBondContact O-N 3.49Å; K726-Q729 PolarHBondContact O-N 2.88Å; K726-Q730 WeakPolarHBondContact O-CG 3.47Å; K726-Q730 PolarHBondContact O-N 3.3Å
727Y80.2Confident77.7Confident28 Ų2847 Ų4711%0.1123%0.232CC..Hα-helixtrans-73.5-29.8-178.6-62-47.4000112.9L474 E477 L543 A723 L724 A725 Q730 R731L474-Y727 HydrophobicContact CD1-CE2 4.46Å; L474-Y727 HydrophobicContact CG-CE2 4.39Å; E477-Y727 VanDerWaalsContact C-CE1 3.49Å; E477-Y727 VanDerWaalsContact CA-CZ 3.5Å; E477-Y727 HydrophobicContact CB-CE1 3.87Å; E477-Y727 WeakPolarHBondContact O-CD1 3.36Å; L543-Y727 VanDerWaalsContact CD1-CB 3.45Å; A723-Y727 HydrophobicContact CB-CE2 4.09Å; A723-Y727 WeakPolarHBondContact O-CD2 3.49Å; A723-Y727 PolarHBondContact O-N 2.98Å; L724-Y727 PolarHBondContact O-N 3.39Å; A725-Y727 PolarHBondContact O-N 3.19Å; Y727-Q730 WeakPolarHBondContact O-CB 3.2Å; Y727-Q730 PolarHBondContact O-N 3.46Å; Y727-R731 PolarHBondContact O-N 3.14Å
728R82.6Confident78.6Confident13 Ų1346.9 Ų46.95%0.04923%0.231CC..Hα-helixtrans-60.3-49.6170.5-175.3-169.2-174.275.30.8111.1G541 C542 L543 L544 P545 S581 D585 L724 A725 Q730 R731 E732G541-R728 PolarHBondContact O-NH1 2.71Å; C542-R728 WeakPolarHBondContact O-CB 3.38Å; C542-R728 VanDerWaalsContact O-CD 3.28Å; C542-R728 WeakPolarHBondContact O-CD 3.44Å; C542-R728 WeakPolarHBondContact O-CG 3.46Å; C542-R728 PolarHBondContact O-NH1 3.02Å; L543-R728 WeakPolarHBondContact O-CA 3.29Å; L544-R728 PolarHBondContact O-NH1 2.93Å; P545-R728 HydrophobicContact CG-CG 4.25Å; S581-R728 PolarHBondContact OG-NH1 2.65Å; S581-R728 PolarHBondContact OG-NH2 3.46Å; D585-R728 VanDerWaalsContact CG-NH2 3.26Å; D585-R728 IonicContact OD1-CZ 3.78Å; D585-R728 IonicContact OD1-NE 2.7Å; D585-R728 IonicContact OD1-NH2 2.85Å; D585-R728 PolarHBondContact OD1-NH2 2.95Å; D585-R728 IonicContact OD2-NH2 3.28Å; D585-R728 PolarHBondContact OD2-NH2 3.48Å; L724-R728 WeakPolarHBondContact O-CB 3.43Å; L724-R728 PolarHBondContact O-N 2.92Å; A725-R728 PolarHBondContact O-N 3.23Å; R728-Q730 PolarHBondContact O-N 3.34Å; R728-Q730 VanDerWaalsContact O-N 3.16Å; R728-R731 WeakPolarHBondContact O-CA 3.26Å; R728-R731 WeakPolarHBondContact O-CB 3.44Å; R728-R731 PolarHBondContact O-N 2.9Å; R728-E732 IonicContact NE-OE1 3.71Å; R728-E732 PolarHBondContact O-N 2.83Å; R728-E732 VanDerWaalsContact O-N 3.13Å
729Q67.1Low79.7Confident117 Ų11743.2 Ų43.255%0.54721%0.212SC..Hα-helixtrans-58.3-29.3176.8-72.3176.4-5.900112.9A725 K726 R731A725-Q729 WeakPolarHBondContact O-CG 3.49Å; A725-Q729 PolarHBondContact O-N 3.01Å; A725-Q729 VanDerWaalsContact O-N 3.09Å; K726-Q729 PolarHBondContact O-N 2.88Å; Q729-R731 VanDerWaalsContact C-N 3.33Å
730Q65.8Low80.2Confident107 Ų10736.7 Ų36.750%0.519%0.189SC..Hα-helixtrans-76.3-20.2175.2-68.2175.9-6.400113.6K726 Y727 R728K726-Q730 WeakPolarHBondContact O-CG 3.47Å; K726-Q730 PolarHBondContact O-N 3.3Å; Y727-Q730 WeakPolarHBondContact O-CB 3.2Å; Y727-Q730 PolarHBondContact O-N 3.46Å; R728-Q730 PolarHBondContact O-N 3.34Å; R728-Q730 VanDerWaalsContact O-N 3.16Å
731R70Confident80.7Confident89 Ų8936.1 Ų36.134%0.33619%0.186SC..Hα-helixtrans-89.6-23.1177.2-75.2179.1166.2-1078.7112.8G478 L543 P545 D555 Y727 R728 Q729G478-R731 PolarHBondContact O-NE 3.49Å; G478-R731 PolarHBondContact O-NH2 3.39Å; L543-R731 WeakPolarHBondContact O-CD 3.26Å; P545-R731 HydrophobicContact CG-CB 3.97Å; D555-R731 IonicContact OD2-CZ 3.31Å; D555-R731 IonicContact OD2-NH1 4Å; D555-R731 PolarHBondContact OD2-NH1 3.38Å; D555-R731 IonicContact OD2-NH2 3.8Å; Y727-R731 PolarHBondContact O-N 3.14Å; R728-R731 WeakPolarHBondContact O-CA 3.26Å; R728-R731 WeakPolarHBondContact O-CB 3.44Å; R728-R731 PolarHBondContact O-N 2.9Å; Q729-R731 VanDerWaalsContact C-N 3.33Å
732E69.8Low81.4Confident46 Ų4636.9 Ų36.922%0.21519%0.19CC..SBendtrans-67.6139.3164.9-66.2171.4-175.800108.6P545 R728 P734P545-E732 HydrophobicContact CB-CG 4.15Å; P545-E732 HydrophobicContact CG-CG 3.68Å; R728-E732 IonicContact NE-OE1 3.71Å; R728-E732 PolarHBondContact O-N 2.83Å; R728-E732 VanDerWaalsContact O-N 3.13Å; E732-P734 WeakPolarHBondContact O-CD 3.29Å
733A69Low82.4Confident30 Ų3032.3 Ų32.325%0.24816%0.162CC..  trans-65114.4-17200000109.4V735 L861 A996A733-V735 PolarHBondContact O-N 3.49Å; A733-L861 HydrophobicContact CB-CG 4.42Å; A733-A996 PolarHBondContact N-O 3.06Å; A733-A996 VanDerWaalsContact N-O 3.14Å
734P79.5Confident82.8Confident43 Ų4333.6 Ų33.628%0.27917%0.166SC..  trans-64.5130.3-171.3-21.833.6000110.2E732 A857 S860 L861E732-P734 WeakPolarHBondContact O-CD 3.29Å; P734-A857 HydrophobicContact CG-CB 4.22Å; P734-S860 CarbonylContact O-C 3.27Å; P734-S860 WeakPolarHBondContact O-CA 3.44Å; P734-S860 WeakPolarHBondContact O-CB 3.48Å; P734-L861 PolarHBondContact O-N 3.5Å
735V90.8Very high83Confident7 Ų734 Ų344%0.04217%0.169CC..EExtended strand (participates in β ladder)trans-100.3132177.9-171.60000109.5A733 V737 L779 I784 A786 G787 L861 A996A733-V735 PolarHBondContact O-N 3.49Å; V735-V737 HydrophobicContact CG1-CG2 4.39Å; V735-L779 HydrophobicContact CG1-CD1 3.76Å; V735-I784 HydrophobicContact CB-CG2 4.3Å; V735-I784 HydrophobicContact CG2-CG2 3.8Å; V735-A786 HydrophobicContact CB-CB 4.05Å; V735-A786 HydrophobicContact CG1-CB 4.18Å; V735-A786 CarbonylContact O-C 3.56Å; V735-A786 VanDerWaalsContact O-CA 3.24Å; V735-A786 WeakPolarHBondContact O-CA 3.42Å; V735-G787 PolarHBondContact O-N 3.38Å; V735-L861 WeakPolarHBondContact CA-O 3.4Å; V735-L861 HydrophobicContact CG2-CB 4.31Å; V735-L861 HydrophobicContact CG2-CD1 4.29Å; V735-A996 HydrophobicContact CG2-CB 3.43Å; V735-A996 VanDerWaalsContact CG2-CB 3.43Å
736M94Very high83.6Confident12 Ų1234.1 Ų34.16%0.05917%0.167CC..EExtended strand (participates in β ladder)trans-125129166.8171.1175.5-59.600110.3V738 G787 L813 L854 V856 L861 L862 Y863 W880M736-V738 HydrophobicContact CG-CG2 4.08Å; M736-V738 HydrophobicContact SD-CG2 4.49Å; M736-G787 CarbonylContact C-O 3.5Å; M736-G787 VanDerWaalsContact CA-O 3.27Å; M736-G787 WeakPolarHBondContact CA-O 3.42Å; M736-G787 WeakPolarHBondContact CG-O 3.45Å; M736-L813 HydrophobicContact CE-CD1 4.05Å; M736-L854 HydrophobicContact CE-CB 4.25Å; M736-L854 HydrophobicContact SD-CB 4.15Å; M736-L854 HydrophobicContact SD-CD1 4.13Å; M736-V856 HydrophobicContact CE-CG2 4.03Å; M736-V856 HydrophobicContact SD-CG2 3.81Å; M736-L861 PolarHBondContact N-O 3.4Å; M736-L862 HydrophobicContact CB-CD2 3.73Å; M736-L862 HydrophobicContact CG-CD2 3.99Å; M736-L862 WeakPolarHBondContact O-CA 3.33Å; M736-L862 HydrophobicContact SD-CD2 4.16Å; M736-Y863 PolarHBondContact O-N 3.5Å; M736-W880 HydrophobicContact SD-CH2 4.16Å
737V95.7Very high84.4Confident0 Ų028.8 Ų28.80%015%0.145CC..EExtended strand (participates in β ladder)trans-101.8112.1-177.7179.30000108.5V735 A772 I775 L779 A786 G787 A789 L790 Y863V735-V737 HydrophobicContact CG1-CG2 4.39Å; V737-A772 HydrophobicContact CG1-CB 3.83Å; V737-A772 WeakPolarHBondContact CG1-O 3.17Å; V737-I775 HydrophobicContact CG2-CG2 4.15Å; V737-L779 HydrophobicContact CG2-CD1 3.65Å; V737-A786 HydrophobicContact CG2-CB 4.08Å; V737-G787 PolarHBondContact N-O 3.28Å; V737-A789 CarbonylContact O-C 3.47Å; V737-A789 WeakPolarHBondContact O-CA 3.32Å; V737-A789 PolarHBondContact O-N 3.43Å; V737-L790 HydrophobicContact CG1-CD2 4.3Å; V737-Y863 HydrophobicContact CG1-CD1 3.75Å; V737-Y863 HydrophobicContact CG1-CE1 4.47Å
738V95Very high84.8Confident0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-108.4113.5-179.3-173.70000109.1M736 A789 W846 Y863 F864 L877 W880M736-V738 HydrophobicContact CG-CG2 4.08Å; M736-V738 HydrophobicContact SD-CG2 4.49Å; V738-A789 HydrophobicContact CG2-CB 4.32Å; V738-W846 HydrophobicContact CG1-CH2 3.56Å; V738-W846 HydrophobicContact CG1-CZ2 3.85Å; V738-W846 HydrophobicContact CG1-CZ3 4.14Å; V738-Y863 WeakPolarHBondContact CA-O 3.46Å; V738-Y863 WeakPolarHBondContact CB-O 3.3Å; V738-Y863 PolarHBondContact N-O 3.04Å; V738-F864 HydrophobicContact CB-CD1 3.9Å; V738-F864 HydrophobicContact CB-CE1 3.9Å; V738-F864 HydrophobicContact CB-CG 4.48Å; V738-F864 HydrophobicContact CB-CZ 4.46Å; V738-F864 HydrophobicContact CG1-CD1 3.88Å; V738-F864 HydrophobicContact CG1-CE1 3.72Å; V738-F864 HydrophobicContact CG2-CE1 4.2Å; V738-F864 HydrophobicContact CG2-CZ 4.33Å; V738-L877 HydrophobicContact CG1-CD2 4.16Å; V738-W880 HydrophobicContact CG2-CH2 4.43Å; V738-W880 HydrophobicContact CG2-CZ3 4.14Å
739G93.3Very high85.1Confident0 Ų029.4 Ų29.40%015%0.152CC..SBendtrans173.6-146.6179.200000113.5A789 P791G739-A789 PolarHBondContact N-O 2.99Å; G739-P791 VanDerWaalsContact O-CD 3.27Å; G739-P791 WeakPolarHBondContact O-CD 3.5Å
740A91.4Very high86.1Confident7 Ų730.4 Ų30.46%0.05815%0.151CC..  trans-117.1146.8-173.200000113.5V742 E843A740-V742 HydrophobicContact CB-CG1 4.23Å; A740-E843 HydrophobicContact CB-CB 3.57Å; A740-E843 HydrophobicContact CB-CG 3.61Å
741A92.1Very high87.1Confident0 Ų026.9 Ų26.90%014%0.14CC..  trans-113.5126.8157.400000108L773 L790 L792 I801 N821A741-L773 HydrophobicContact CB-CB 4.16Å; A741-L773 HydrophobicContact CB-CD2 4Å; A741-L790 HydrophobicContact CB-CB 4.44Å; A741-L792 HydrophobicContact CB-CD2 4.46Å; A741-I801 HydrophobicContact CB-CD1 4.4Å; A741-I801 HydrophobicContact CB-CG2 3.58Å; A741-N821 PolarHBondContact O-ND2 3.31Å
742V91.8Very high88Confident26 Ų2625.9 Ų25.916%0.15814%0.141CC..EExtended strand (participates in β ladder)trans-137.1168.5-174-66.80000110.5A740 G769 G822 E843A740-V742 HydrophobicContact CB-CG1 4.23Å; V742-G769 PolarHBondContact N-O 2.8Å; V742-G769 CarbonylContact O-C 3.6Å; V742-G769 PolarHBondContact O-N 3.39Å; V742-G822 WeakPolarHBondContact CA-O 3.26Å; V742-G822 WeakPolarHBondContact CB-O 3.46Å; V742-E843 HydrophobicContact CG1-CG 3.86Å
743I90.9Very high88.8Confident0 Ų026.9 Ų26.90%015%0.152CC..EExtended strand (participates in β ladder)trans-104.1133.8173.4-64.9-66.1000110.2V745 V766 V768 W797 I800 I801 G822 W823 C824I743-V745 HydrophobicContact CG2-CG2 4.02Å; I743-V766 HydrophobicContact CG2-CG1 3.52Å; I743-V768 HydrophobicContact CD1-CB 4.38Å; I743-V768 HydrophobicContact CD1-CG2 3.76Å; I743-W797 HydrophobicContact CB-CD2 4.23Å; I743-W797 HydrophobicContact CB-CE3 4.06Å; I743-W797 HydrophobicContact CB-CG 4.48Å; I743-W797 HydrophobicContact CD1-CE3 4.37Å; I743-W797 HydrophobicContact CG1-CB 3.72Å; I743-W797 HydrophobicContact CG1-CD2 3.96Å; I743-W797 HydrophobicContact CG1-CE3 3.68Å; I743-W797 HydrophobicContact CG1-CG 4.02Å; I743-W797 HydrophobicContact CG2-CD2 4.27Å; I743-W797 HydrophobicContact CG2-CE3 3.76Å; I743-W797 HydrophobicContact CG2-CH2 4.39Å; I743-W797 HydrophobicContact CG2-CZ3 3.84Å; I743-I800 HydrophobicContact CD1-CB 4.18Å; I743-I800 HydrophobicContact CD1-CG2 3.72Å; I743-I801 HydrophobicContact CD1-CD1 4.42Å; I743-I801 HydrophobicContact CD1-CG1 3.79Å; I743-I801 HydrophobicContact CG1-CD1 4.23Å; I743-I801 HydrophobicContact CG1-CG1 4.14Å; I743-G822 PolarHBondContact N-O 2.89Å; I743-G822 VanDerWaalsContact N-O 3.16Å; I743-W823 HydrophobicContact CB-CB 3.89Å; I743-W823 HydrophobicContact CG2-CB 4.4Å; I743-W823 CarbonylContact O-C 3.51Å; I743-W823 WeakPolarHBondContact O-CA 3.37Å; I743-W823 WeakPolarHBondContact O-CB 3.31Å; I743-C824 PolarHBondContact O-N 3.34Å
744D87.5Confident89.7Confident47 Ų4733.7 Ų33.725%0.25117%0.171SC..EExtended strand (participates in β ladder)trans-103113.5169.6-66.4-44.7000109.7V766 N767 C824D744-V766 CarbonylContact O-C 3.58Å; D744-V766 WeakPolarHBondContact O-CA 3.34Å; D744-N767 PolarHBondContact N-O 3.41Å; D744-N767 PolarHBondContact O-N 2.88Å; D744-C824 WeakPolarHBondContact CA-O 3.48Å; D744-C824 WeakPolarHBondContact OD1-CB 3.21Å
745V89Confident90.2Very high13 Ų1343.6 Ų43.68%0.07920%0.203CC..EExtended strand (participates in β ladder)trans-95.8112.2171.6-178.10000107.8I743 Q763 V766 W797 W823 C824 L825 A826I743-V745 HydrophobicContact CG2-CG2 4.02Å; V745-Q763 HydrophobicContact CG1-CG 4.5Å; V745-V766 HydrophobicContact CG1-CG2 4.46Å; V745-V766 HydrophobicContact CG2-CG1 4.45Å; V745-V766 HydrophobicContact CG2-CG2 4.35Å; V745-W797 HydrophobicContact CG2-CH2 4.14Å; V745-W797 HydrophobicContact CG2-CZ2 4.46Å; V745-W823 HydrophobicContact CB-CE3 4.18Å; V745-W823 HydrophobicContact CB-CZ3 4.27Å; V745-W823 HydrophobicContact CG2-CE3 3.72Å; V745-W823 HydrophobicContact CG2-CZ3 4.12Å; V745-C824 PolarHBondContact N-O 2.92Å; V745-L825 HydrophobicContact CB-CD1 4.26Å; V745-L825 HydrophobicContact CG1-CD1 4.04Å; V745-L825 WeakPolarHBondContact O-CA 3.4Å; V745-A826 PolarHBondContact O-N 3.41Å
746I87.2Confident90.1Very high15 Ų1547.3 Ų47.38%0.07724%0.242CC..EExtended strand (participates in β ladder)trans-101.4126.7-178.1-52.5-178.1000109.1Q764 S765 N767 A826 V828I746-Q764 HydrophobicContact CG2-CB 4.38Å; I746-Q764 PolarHBondContact O-N 3.25Å; I746-S765 PolarHBondContact N-O 2.9Å; I746-S765 PolarHBondContact O-N 3.35Å; I746-N767 WeakPolarHBondContact CD1-ND2 3.48Å; I746-A826 WeakPolarHBondContact CA-O 3.29Å; I746-A826 HydrophobicContact CG1-CB 4.38Å; I746-V828 HydrophobicContact CG2-CG2 3.58Å
747A89.7Confident89.9Confident5 Ų548.4 Ų48.44%0.04125%0.251CS..EExtended strand (participates in β ladder)trans-133.4137.8178.400000112L761 K762 L825 A826 L827 V828A747-L761 HydrophobicContact CB-CB 4.29Å; A747-K762 CarbonylContact C-O 3.51Å; A747-K762 WeakPolarHBondContact CA-O 3.44Å; A747-L825 HydrophobicContact CB-CD1 4.35Å; A747-A826 PolarHBondContact N-O 3.2Å; A747-L827 HydrophobicContact CB-CD2 4.31Å; A747-L827 WeakPolarHBondContact O-CA 3.38Å; A747-V828 PolarHBondContact O-N 3.05Å
748D89.3Confident89.7Confident50 Ų5055.9 Ų55.927%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-73.2130.5170.6-68.6-40.4000109.8K762 Q764D748-K762 HydrophobicContact CB-CB 4.36Å; D748-K762 PolarHBondContact N-O 3.46Å; D748-K762 PolarHBondContact O-N 3.17Å; D748-Q764 VanDerWaalsContact OD1-CD 3.24Å; D748-Q764 PolarHBondContact OD1-NE2 3.03Å; D748-Q764 VanDerWaalsContact OD2-CG 3.23Å; D748-Q764 WeakPolarHBondContact OD2-CG 3.45Å; D748-Q764 PolarHBondContact OD2-NE2 3.31Å
749A87.7Confident89.4Confident3 Ų357.1 Ų57.13%0.02530%0.297CS..  trans-120.8134.5170.300000108.5A751 L761 L827 V828 E829 P830A749-A751 PolarHBondContact O-N 2.84Å; A749-L761 HydrophobicContact CB-CD2 3.64Å; A749-L827 HydrophobicContact CB-CB 4.25Å; A749-V828 PolarHBondContact N-O 3.07Å; A749-V828 VanDerWaalsContact O-O 3.12Å; A749-E829 WeakPolarHBondContact O-CA 3.09Å; A749-P830 WeakPolarHBondContact O-CD 3.32Å
750Y88.4Confident89.2Confident139 Ų13965.6 Ų65.655%0.54534%0.337SS..SBendtrans-72.4-21.6174.366.3-97.2000112.4I759Y750-I759 HydrophobicContact CE1-CB 3.88Å; Y750-I759 HydrophobicContact CE1-CG2 4.15Å; Y750-I759 WeakPolarHBondContact OH-CG2 3.47Å
751A87.1Confident89.1Confident32 Ų3268.6 Ų68.626%0.26435%0.351SS..SBendtrans-166.3159.9171.800000109.4A749 I759 E829A749-A751 PolarHBondContact O-N 2.84Å; A751-I759 WeakPolarHBondContact O-CD1 3.14Å; A751-E829 WeakPolarHBondContact CA-OE1 3.25Å
752L88.2Confident88.8Confident69 Ų6975.9 Ų75.936%0.36138%0.383SS..PPolyproline II helixtrans-62.8138.3168.5-73.4172.5000112.9L827 E829 T835L752-L827 HydrophobicContact CD2-CD1 3.91Å; L752-E829 PolarHBondContact N-OE1 3.41Å; L752-T835 WeakPolarHBondContact CD1-OG1 3.4Å; L752-T835 HydrophobicContact CD2-CG2 3.95Å
753P87.5Confident88.7Confident66 Ų6681 Ų8143%0.42941%0.405SS..PPolyproline II helixtrans-71136.6176.928.4-31.8000111C757 I759P753-C757 HydrophobicContact CB-CB 4.47Å; P753-I759 HydrophobicContact CB-CD1 3.97Å; P753-I759 HydrophobicContact CB-CG1 4.29Å; P753-I759 HydrophobicContact CB-CG2 4.41Å; P753-I759 HydrophobicContact CG-CD1 4.11Å
754W87.9Confident88.3Confident174 Ų17485.9 Ų85.966%0.65943%0.428SS*.PPolyproline II helixtrans-90.1166.8167.66488.9000111.3G756 C757W754-G756 PolarHBondContact O-N 3.49Å; W754-G756 VanDerWaalsContact O-N 3.12Å; W754-C757 HydrophobicContact CD2-CB 3.65Å; W754-C757 HydrophobicContact CE3-CB 4.14Å; W754-C757 HydrophobicContact CG-CB 3.9Å; W754-C757 HydrophobicContact CH2-CB 4.5Å; W754-C757 WeakPolarHBondContact CH2-SG 3.12Å; W754-C757 HydrophobicContact CZ2-CB 4.04Å; W754-C757 WeakPolarHBondContact CZ2-SG 3.42Å; W754-C757 WeakPolarHBondContact O-CB 3.26Å; W754-C757 PolarHBondContact O-N 3.35Å
755R90.2Very high88.1Confident251 Ų25185.2 Ų85.295%0.94743%0.427SS*.THydrogen-bonded Turntrans-56.6119.8-179-172.5177.8-177.2-179.21.5111.4
756G89.2Confident87.9Confident84 Ų8487.2 Ų87.287%0.86644%0.439SS*.THydrogen-bonded Turntrans861.4-179.400000114.9W754W754-G756 PolarHBondContact O-N 3.49Å; W754-G756 VanDerWaalsContact O-N 3.12Å
757C89Confident87.8Confident36 Ų3689.9 Ų89.924%0.24345%0.454CS..  trans-77.6153.4171.7-163.80000111.2P753 W754 I759P753-C757 HydrophobicContact CB-CB 4.47Å; W754-C757 HydrophobicContact CD2-CB 3.65Å; W754-C757 HydrophobicContact CE3-CB 4.14Å; W754-C757 HydrophobicContact CG-CB 3.9Å; W754-C757 HydrophobicContact CH2-CB 4.5Å; W754-C757 WeakPolarHBondContact CH2-SG 3.12Å; W754-C757 HydrophobicContact CZ2-CB 4.04Å; W754-C757 WeakPolarHBondContact CZ2-SG 3.42Å; W754-C757 WeakPolarHBondContact O-CB 3.26Å; W754-C757 PolarHBondContact O-N 3.35Å; C757-I759 VanDerWaalsContact SG-CG2 3.54Å
758D90.6Very high87.6Confident156 Ų15690.6 Ų90.683%0.83446%0.457SS*.  trans-126.7125.7169.6-17412.2000107.7
759I88.7Confident87.1Confident26 Ų2688.3 Ų88.313%0.13345%0.446CS..  trans-133142.6-17673.1173.2000109.8Y750 A751 P753 C757 L761Y750-I759 HydrophobicContact CE1-CB 3.88Å; Y750-I759 HydrophobicContact CE1-CG2 4.15Å; Y750-I759 WeakPolarHBondContact OH-CG2 3.47Å; A751-I759 WeakPolarHBondContact O-CD1 3.14Å; P753-I759 HydrophobicContact CB-CD1 3.97Å; P753-I759 HydrophobicContact CB-CG1 4.29Å; P753-I759 HydrophobicContact CB-CG2 4.41Å; P753-I759 HydrophobicContact CG-CD1 4.11Å; C757-I759 VanDerWaalsContact SG-CG2 3.54Å; I759-L761 HydrophobicContact CD1-CD2 3.84Å; I759-L761 HydrophobicContact CG1-CD2 4.14Å; I759-L761 HydrophobicContact CG1-CG 4.48Å
760E89.9Confident86.9Confident178 Ų17888.9 Ų88.983%0.83245%0.452SS*.  trans-86.2123174.4-168.6173.2-175.300110
761L89Confident86.7Confident70 Ų7083.7 Ų83.737%0.36644%0.435SS..  trans-100.3144.5177.4-63178.3000110.5A747 A749 I759 L827A747-L761 HydrophobicContact CB-CB 4.29Å; A749-L761 HydrophobicContact CB-CD2 3.64Å; I759-L761 HydrophobicContact CD1-CD2 3.84Å; I759-L761 HydrophobicContact CG1-CD2 4.14Å; I759-L761 HydrophobicContact CG1-CG 4.48Å; L761-L827 HydrophobicContact CD1-CD2 3.57Å; L761-L827 HydrophobicContact CD2-CD2 3.92Å; L761-L827 HydrophobicContact CG-CD2 4.39Å
762K87Confident86.9Confident154 Ų15482.1 Ų82.167%0.6742%0.423SS*.EExtended strand (participates in β ladder)trans-108.2109.6173.7-173.2-177.4178-173.10110.2A747 D748 Q764A747-K762 CarbonylContact C-O 3.51Å; A747-K762 WeakPolarHBondContact CA-O 3.44Å; D748-K762 HydrophobicContact CB-CB 4.36Å; D748-K762 PolarHBondContact N-O 3.46Å; D748-K762 PolarHBondContact O-N 3.17Å; K762-Q764 PolarHBondContact O-N 2.95Å
763Q89.1Confident87.1Confident132 Ų13279.1 Ų79.162%0.61741%0.407SS*.EExtended strand (participates in β ladder)trans-61.3121.1175.1-172-175.9-64.700110.2V745V745-Q763 HydrophobicContact CG1-CG 4.5Å
764Q81.9Confident87.3Confident104 Ų10476.8 Ų76.849%0.48639%0.391SS..EExtended strand (participates in β ladder)trans-87.8-52.2174.6-73.3-158.2-18.600111.5I746 D748 K762I746-Q764 HydrophobicContact CG2-CB 4.38Å; I746-Q764 PolarHBondContact O-N 3.25Å; D748-Q764 VanDerWaalsContact OD1-CD 3.24Å; D748-Q764 PolarHBondContact OD1-NE2 3.03Å; D748-Q764 VanDerWaalsContact OD2-CG 3.23Å; D748-Q764 WeakPolarHBondContact OD2-CG 3.45Å; D748-Q764 PolarHBondContact OD2-NE2 3.31Å; K762-Q764 PolarHBondContact O-N 2.95Å
765S82.7Confident87.6Confident33 Ų3368.5 Ų68.523%0.23136%0.36CS..EExtended strand (participates in β ladder)trans-157.8158.4-17358.40000112.1I746 N767I746-S765 PolarHBondContact N-O 2.9Å; I746-S765 PolarHBondContact O-N 3.35Å; S765-N767 PolarHBondContact OG-ND2 3.4Å; S765-N767 VanDerWaalsContact OG-ND2 3.1Å
766V86.7Confident87.8Confident54 Ų5456.6 Ų56.633%0.32732%0.315SS..EExtended strand (participates in β ladder)trans-123.9108.9169.9178.40000105.6I743 D744 V745 W797I743-V766 HydrophobicContact CG2-CG1 3.52Å; D744-V766 CarbonylContact O-C 3.58Å; D744-V766 WeakPolarHBondContact O-CA 3.34Å; V745-V766 HydrophobicContact CG1-CG2 4.46Å; V745-V766 HydrophobicContact CG2-CG1 4.45Å; V745-V766 HydrophobicContact CG2-CG2 4.35Å; V766-W797 HydrophobicContact CG1-CH2 4.46Å; V766-W797 HydrophobicContact CG1-CZ3 3.85Å
767N85Confident87.9Confident71 Ų7152.8 Ų52.838%0.3828%0.275SS..EExtended strand (participates in β ladder)trans-112.3146.8-174.7-57.3-37.2000109.3D744 I746 S765D744-N767 PolarHBondContact N-O 3.41Å; D744-N767 PolarHBondContact O-N 2.88Å; I746-N767 WeakPolarHBondContact CD1-ND2 3.48Å; S765-N767 PolarHBondContact OG-ND2 3.4Å; S765-N767 VanDerWaalsContact OG-ND2 3.1Å
768V84.8Confident88.1Confident20 Ų2051.1 Ų51.112%0.12126%0.263CS..EExtended strand (participates in β ladder)trans-85.4125.7170.3-177.70000107.2I743 L773 I800 I801 R804I743-V768 HydrophobicContact CD1-CB 4.38Å; I743-V768 HydrophobicContact CD1-CG2 3.76Å; V768-L773 HydrophobicContact CG1-CD2 3.38Å; V768-I800 HydrophobicContact CG2-CG2 3.64Å; V768-I801 HydrophobicContact CG1-CB 4.41Å; V768-I801 HydrophobicContact CG1-CG1 4Å; V768-I801 HydrophobicContact CG1-CG2 4.4Å; V768-R804 HydrophobicContact CB-CB 4.18Å; V768-R804 HydrophobicContact CB-CG 3.93Å; V768-R804 HydrophobicContact CG1-CB 4.13Å; V768-R804 HydrophobicContact CG1-CG 4.04Å; V768-R804 HydrophobicContact CG2-CB 3.85Å; V768-R804 HydrophobicContact CG2-CG 4.08Å
769G78.9Confident88.2Confident3 Ų343.7 Ų43.73%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-140.1-164.7-174.300000112.8V742V742-G769 PolarHBondContact N-O 2.8Å; V742-G769 CarbonylContact O-C 3.6Å; V742-G769 PolarHBondContact O-N 3.39Å
770G82.8Confident88.3Confident14 Ų1444.9 Ų44.914%0.14423%0.228CC..  trans110.6127.3-173.400000111.4A772 L773 N774G770-A772 PolarHBondContact O-N 2.82Å; G770-L773 PolarHBondContact O-N 3.26Å; G770-N774 PolarHBondContact O-N 3.47Å
771C85.3Confident88.3Confident30 Ų3039.1 Ų39.120%0.20320%0.198CC..Hα-helixtrans-51.6-45.6-175.6-62.40000112.4N774 I775 Y863 D985C771-N774 PolarHBondContact O-N 2.98Å; C771-I775 WeakPolarHBondContact O-CG1 3.33Å; C771-I775 PolarHBondContact O-N 2.62Å; C771-Y863 WeakPolarHBondContact CB-OH 3.41Å; C771-D985 WeakPolarHBondContact CA-OD1 3.4Å; C771-D985 VanDerWaalsContact CB-OD1 3.25Å; C771-D985 WeakPolarHBondContact CB-OD1 3.47Å; C771-D985 PolarHBondContact SG-OD1 3.4Å
772A91.5Very high88.3Confident0 Ų036.8 Ų36.80%019%0.186CC..Hα-helixtrans-66.4-39.9-179.200000112.3V737 G770 I775 A776 L790 Y863V737-A772 HydrophobicContact CG1-CB 3.83Å; V737-A772 WeakPolarHBondContact CG1-O 3.17Å; G770-A772 PolarHBondContact O-N 2.82Å; A772-I775 PolarHBondContact O-N 3.03Å; A772-A776 WeakPolarHBondContact O-CB 3.3Å; A772-A776 PolarHBondContact O-N 2.93Å; A772-L790 HydrophobicContact CB-CD2 3.46Å; A772-L790 VanDerWaalsContact CB-CD2 3.46Å; A772-Y863 HydrophobicContact CB-CD1 4.33Å; A772-Y863 HydrophobicContact CB-CE1 3.82Å
773L92.3Very high88.1Confident5 Ų532.3 Ų32.33%0.02618%0.183CC..Hα-helixtrans-66.9-41.3175.6178.961.2000111.9A741 V768 G770 I775 A776 V777 L790 M805 L810A741-L773 HydrophobicContact CB-CB 4.16Å; A741-L773 HydrophobicContact CB-CD2 4Å; V768-L773 HydrophobicContact CG1-CD2 3.38Å; G770-L773 PolarHBondContact O-N 3.26Å; L773-I775 VanDerWaalsContact C-N 3.29Å; L773-I775 PolarHBondContact O-N 3.44Å; L773-A776 WeakPolarHBondContact O-CB 2.94Å; L773-A776 PolarHBondContact O-N 2.98Å; L773-V777 HydrophobicContact CD1-CG2 4.3Å; L773-V777 WeakPolarHBondContact O-CG2 3.47Å; L773-V777 PolarHBondContact O-N 3.11Å; L773-L790 HydrophobicContact CB-CD1 4.22Å; L773-L790 HydrophobicContact CD1-CD1 3.98Å; L773-M805 HydrophobicContact CD1-CE 4.48Å; L773-M805 HydrophobicContact CD1-CG 3.75Å; L773-M805 HydrophobicContact CD1-SD 4.31Å; L773-L810 HydrophobicContact CD1-CD1 4.21Å
774N91Very high87.8Confident18 Ų1826.9 Ų26.910%0.09616%0.159CC..Hα-helixtrans-60.2-40.9176.3-71-18.5000111.4G770 C771 V777 A778 D985G770-N774 PolarHBondContact O-N 3.47Å; C771-N774 PolarHBondContact O-N 2.98Å; N774-V777 PolarHBondContact O-N 3.07Å; N774-A778 PolarHBondContact O-N 3.33Å; N774-D985 HydrophobicContact CB-CB 3.61Å; N774-D985 PolarHBondContact ND2-OD2 2.95Å
775I94.1Very high87.8Confident0 Ų028 Ų280%016%0.164CC..Hα-helixtrans-65.2-44.8174-72.9163.9000111.6V737 C771 A772 L773 V777 A778 L779 Y863 D985 A988 L992V737-I775 HydrophobicContact CG2-CG2 4.15Å; C771-I775 WeakPolarHBondContact O-CG1 3.33Å; C771-I775 PolarHBondContact O-N 2.62Å; A772-I775 PolarHBondContact O-N 3.03Å; L773-I775 VanDerWaalsContact C-N 3.29Å; L773-I775 PolarHBondContact O-N 3.44Å; I775-V777 VanDerWaalsContact C-N 3.29Å; I775-V777 PolarHBondContact O-N 2.96Å; I775-A778 PolarHBondContact O-N 3.08Å; I775-L779 HydrophobicContact CG2-CD1 3.79Å; I775-L779 HydrophobicContact CG2-CG 4.31Å; I775-L779 WeakPolarHBondContact O-CG 3.44Å; I775-L779 PolarHBondContact O-N 3.36Å; I775-Y863 HydrophobicContact CD1-CD1 4.14Å; I775-Y863 HydrophobicContact CD1-CD2 3.61Å; I775-Y863 HydrophobicContact CD1-CE1 3.69Å; I775-Y863 HydrophobicContact CD1-CE2 3.12Å; I775-Y863 HydrophobicContact CD1-CG 4.09Å; I775-Y863 WeakPolarHBondContact CD1-OH 3.33Å; I775-D985 HydrophobicContact CG1-CB 4.2Å; I775-D985 WeakPolarHBondContact CG1-O 3.23Å; I775-A988 HydrophobicContact CD1-CB 3.85Å; I775-A988 HydrophobicContact CG1-CB 4.22Å; I775-L992 HydrophobicContact CG2-CD1 3.76Å
776A94Very high88.1Confident0 Ų027 Ų270%016%0.157CC..Hα-helixtrans-58.6-41.8176.700000112A772 L773 K780 N788 L790 L810A772-A776 WeakPolarHBondContact O-CB 3.3Å; A772-A776 PolarHBondContact O-N 2.93Å; L773-A776 WeakPolarHBondContact O-CB 2.94Å; L773-A776 PolarHBondContact O-N 2.98Å; A776-K780 WeakPolarHBondContact O-CB 3.47Å; A776-K780 PolarHBondContact O-N 3.33Å; A776-N788 WeakPolarHBondContact CB-OD1 3.35Å; A776-L790 HydrophobicContact CB-CD1 4.32Å; A776-L810 HydrophobicContact CB-CD1 4.06Å; A776-L810 HydrophobicContact CB-CD2 4.43Å
777V92.4Very high88.3Confident5 Ų525.4 Ų25.43%0.0315%0.152CC..Hα-helixtrans-64.6-45.2175.1173.20000110.9L773 N774 I775 K780 R781 E808 L810L773-V777 HydrophobicContact CD1-CG2 4.3Å; L773-V777 WeakPolarHBondContact O-CG2 3.47Å; L773-V777 PolarHBondContact O-N 3.11Å; N774-V777 PolarHBondContact O-N 3.07Å; I775-V777 VanDerWaalsContact C-N 3.29Å; I775-V777 PolarHBondContact O-N 2.96Å; V777-K780 PolarHBondContact O-N 3.35Å; V777-R781 HydrophobicContact CG1-CG 4.4Å; V777-R781 WeakPolarHBondContact O-CB 3.47Å; V777-R781 WeakPolarHBondContact O-CG 3.33Å; V777-R781 PolarHBondContact O-N 3.47Å; V777-E808 HydrophobicContact CG1-CG 4.28Å; V777-E808 HydrophobicContact CG2-CB 4.45Å; V777-E808 HydrophobicContact CG2-CG 4.1Å; V777-L810 HydrophobicContact CB-CD1 4.48Å; V777-L810 HydrophobicContact CG2-CD1 3.64Å
778A93.1Very high88.7Confident0 Ų022.2 Ų22.20%014%0.135CC..Hα-helixtrans-59.7-48.6177.300000111.8N774 I775 K780 R781 L782 A1024N774-A778 PolarHBondContact O-N 3.33Å; I775-A778 PolarHBondContact O-N 3.08Å; A778-K780 PolarHBondContact O-N 3.02Å; A778-R781 PolarHBondContact O-N 2.91Å; A778-L782 WeakPolarHBondContact O-CB 3.41Å; A778-L782 VanDerWaalsContact O-CG 3.26Å; A778-L782 WeakPolarHBondContact O-CG 3.37Å; A778-L782 PolarHBondContact O-N 2.85Å; A778-A1024 HydrophobicContact CB-CB 3.8Å
779L93Very high89.2Confident0 Ų021.3 Ų21.30%013%0.129CC..Hα-helixtrans-56.7-49177-72.6167.5000111.5V735 V737 I775 R781 L782 G783 I784 A786 L992 A993V735-L779 HydrophobicContact CG1-CD1 3.76Å; V737-L779 HydrophobicContact CG2-CD1 3.65Å; I775-L779 HydrophobicContact CG2-CD1 3.79Å; I775-L779 HydrophobicContact CG2-CG 4.31Å; I775-L779 WeakPolarHBondContact O-CG 3.44Å; I775-L779 PolarHBondContact O-N 3.36Å; L779-R781 PolarHBondContact O-N 2.99Å; L779-L782 CarbonylContact O-C 3.58Å; L779-L782 PolarHBondContact O-N 3.2Å; L779-G783 PolarHBondContact O-N 2.97Å; L779-I784 CarbonylContact C-O 3.58Å; L779-I784 HydrophobicContact CB-CB 4.23Å; L779-I784 HydrophobicContact CD2-CB 4.08Å; L779-I784 HydrophobicContact CD2-CG1 4.4Å; L779-I784 HydrophobicContact CD2-CG2 4.12Å; L779-I784 PolarHBondContact O-N 3.09Å; L779-A786 HydrophobicContact CB-CB 4.49Å; L779-A786 HydrophobicContact CD1-CB 3.85Å; L779-L992 HydrophobicContact CD2-CB 3.87Å; L779-A993 HydrophobicContact CD2-CB 4.01Å
780K90.6Very high89.9Confident52 Ų5221.1 Ų21.123%0.22613%0.128CC..Hα-helixtrans-61.1-42179.6-174.164.9168.1-158.10112.9A776 V777 A778 L782 G783 E785 E808 G809 L810A776-K780 WeakPolarHBondContact O-CB 3.47Å; A776-K780 PolarHBondContact O-N 3.33Å; V777-K780 PolarHBondContact O-N 3.35Å; A778-K780 PolarHBondContact O-N 3.02Å; K780-L782 VanDerWaalsContact C-N 3.32Å; K780-G783 PolarHBondContact O-N 2.96Å; K780-E785 IonicContact NZ-OE1 3.62Å; K780-E785 PolarHBondContact NZ-OE1 3.27Å; K780-E785 IonicContact NZ-OE2 3.6Å; K780-E785 PolarHBondContact NZ-OE2 3.33Å; K780-E808 WeakPolarHBondContact CG-O 3.33Å; K780-G809 VanDerWaalsContact CE-O 3.26Å; K780-G809 WeakPolarHBondContact CE-O 3.49Å; K780-G809 PolarHBondContact NZ-O 3.37Å; K780-L810 HydrophobicContact CB-CD2 3.79Å; K780-L810 HydrophobicContact CB-CG 4.43Å; K780-L810 HydrophobicContact CD-CD2 4.21Å; K780-L810 HydrophobicContact CG-CD2 3.97Å; K780-L810 HydrophobicContact CG-CG 4.38Å
781R90.2Very high90.5Very high56 Ų5620.5 Ų20.521%0.21112%0.121CC..Hα-helixtrans-72.2-26.7179-71.2-174.772.1164.6-6.4112.8V777 A778 L779 G783 A1024 P1025 T1026 R1027 E1029V777-R781 HydrophobicContact CG1-CG 4.4Å; V777-R781 WeakPolarHBondContact O-CB 3.47Å; V777-R781 WeakPolarHBondContact O-CG 3.33Å; V777-R781 PolarHBondContact O-N 3.47Å; A778-R781 PolarHBondContact O-N 2.91Å; L779-R781 PolarHBondContact O-N 2.99Å; R781-G783 VanDerWaalsContact C-N 3.32Å; R781-A1024 VanDerWaalsContact CD-O 3.22Å; R781-A1024 WeakPolarHBondContact CD-O 3.32Å; R781-A1024 PolarHBondContact NE-O 2.88Å; R781-A1024 PolarHBondContact NH1-O 2.99Å; R781-A1024 PolarHBondContact NH2-O 3.06Å; R781-P1025 WeakPolarHBondContact CB-O 3.48Å; R781-T1026 HydrophobicContact CB-CG2 4.5Å; R781-T1026 VanDerWaalsContact O-CA 3.31Å; R781-T1026 WeakPolarHBondContact O-CA 3.45Å; R781-R1027 PolarHBondContact O-N 2.82Å; R781-E1029 IonicContact CZ-OE2 3.5Å; R781-E1029 IonicContact NH2-OE1 2.64Å; R781-E1029 IonicContact NH2-OE2 2.68Å; R781-E1029 PolarHBondContact NH2-OE2 3.41Å
782L88.7Confident90.9Very high22 Ų2219.2 Ų19.212%0.11511%0.112CC..Hα-helixtrans-82.4-8.4172.4-66.6171.2000113.5A778 L779 K780 A993 V1011 L1030A778-L782 WeakPolarHBondContact O-CB 3.41Å; A778-L782 VanDerWaalsContact O-CG 3.26Å; A778-L782 WeakPolarHBondContact O-CG 3.37Å; A778-L782 PolarHBondContact O-N 2.85Å; L779-L782 CarbonylContact O-C 3.58Å; L779-L782 PolarHBondContact O-N 3.2Å; K780-L782 VanDerWaalsContact C-N 3.32Å; L782-A993 HydrophobicContact CB-CB 4.15Å; L782-A993 HydrophobicContact CD1-CB 3.6Å; L782-V1011 HydrophobicContact CD1-CG2 3.96Å; L782-V1011 HydrophobicContact CD2-CG2 4.26Å; L782-L1030 HydrophobicContact CD2-CD2 4.29Å
783G82.6Confident90.9Very high59 Ų5919.2 Ų19.261%0.60811%0.112SC*.THydrogen-bonded Turntrans100.77.8175.100000115.2L779 K780 R781L779-G783 PolarHBondContact O-N 2.97Å; K780-G783 PolarHBondContact O-N 2.96Å; R781-G783 VanDerWaalsContact C-N 3.32Å
784I83.2Confident90.8Very high18 Ų1823.7 Ų23.79%0.09213%0.133CC..  trans-93.4118.4177.9-55.1-59.9000110.1V735 L779 A786 A993 A996V735-I784 HydrophobicContact CB-CG2 4.3Å; V735-I784 HydrophobicContact CG2-CG2 3.8Å; L779-I784 CarbonylContact C-O 3.58Å; L779-I784 HydrophobicContact CB-CB 4.23Å; L779-I784 HydrophobicContact CD2-CB 4.08Å; L779-I784 HydrophobicContact CD2-CG1 4.4Å; L779-I784 HydrophobicContact CD2-CG2 4.12Å; L779-I784 PolarHBondContact O-N 3.09Å; I784-A786 PolarHBondContact O-N 3.13Å; I784-A993 HydrophobicContact CG1-CB 4.04Å; I784-A996 HydrophobicContact CD1-CB 4.07Å; I784-A996 HydrophobicContact CG1-CB 4.34Å; I784-A996 HydrophobicContact CG2-CB 4.07Å
785E82Confident90.9Very high129 Ų12924.5 Ų24.560%0.60315%0.145SC*.  trans-79.994.9172.2-83.3-77.1-175.400110.4K780K780-E785 IonicContact NZ-OE1 3.62Å; K780-E785 PolarHBondContact NZ-OE1 3.27Å; K780-E785 IonicContact NZ-OE2 3.6Å; K780-E785 PolarHBondContact NZ-OE2 3.33Å
786A88.9Confident90.8Very high10 Ų1029.2 Ų29.28%0.08317%0.174CC..  trans-88.6143.2176.900000112.6V735 V737 L779 I784 N788V735-A786 HydrophobicContact CB-CB 4.05Å; V735-A786 HydrophobicContact CG1-CB 4.18Å; V735-A786 CarbonylContact O-C 3.56Å; V735-A786 VanDerWaalsContact O-CA 3.24Å; V735-A786 WeakPolarHBondContact O-CA 3.42Å; V737-A786 HydrophobicContact CG2-CB 4.08Å; L779-A786 HydrophobicContact CB-CB 4.49Å; L779-A786 HydrophobicContact CD1-CB 3.85Å; I784-A786 PolarHBondContact O-N 3.13Å; A786-N788 PolarHBondContact O-N 2.9Å; A786-N788 PolarHBondContact O-ND2 2.9Å
787G89.7Confident90.7Very high21 Ų2132 Ų3222%0.21619%0.185CC..EExtended strand (participates in β ladder)trans-70.1109.9164.600000110.4V735 M736 V737 A789V735-G787 PolarHBondContact O-N 3.38Å; M736-G787 CarbonylContact C-O 3.5Å; M736-G787 VanDerWaalsContact CA-O 3.27Å; M736-G787 WeakPolarHBondContact CA-O 3.42Å; M736-G787 WeakPolarHBondContact CG-O 3.45Å; V737-G787 PolarHBondContact N-O 3.28Å; G787-A789 PolarHBondContact O-N 3.27Å
788N93.5Very high90.8Very high5 Ų531.9 Ų31.93%0.02718%0.184CC..EExtended strand (participates in β ladder)trans-94.993.6-174.5-52.5-68.1000110.9A776 A786 L790 M805 S812 L813A776-N788 WeakPolarHBondContact CB-OD1 3.35Å; A786-N788 PolarHBondContact O-N 2.9Å; A786-N788 PolarHBondContact O-ND2 2.9Å; N788-L790 VanDerWaalsContact C-N 3.27Å; N788-L790 HydrophobicContact CB-CD1 4.15Å; N788-L790 HydrophobicContact CB-CG 4.18Å; N788-L790 PolarHBondContact O-N 3.13Å; N788-M805 HydrophobicContact CB-CE 4.49Å; N788-S812 CarbonylContact O-C 3.11Å; N788-S812 WeakPolarHBondContact O-CA 3.45Å; N788-L813 PolarHBondContact O-N 3.42Å
789A94.5Very high90.8Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-8474172.900000109.4V737 V738 G739 G787 I814 W846 L854V737-A789 CarbonylContact O-C 3.47Å; V737-A789 WeakPolarHBondContact O-CA 3.32Å; V737-A789 PolarHBondContact O-N 3.43Å; V738-A789 HydrophobicContact CG2-CB 4.32Å; G739-A789 PolarHBondContact N-O 2.99Å; G787-A789 PolarHBondContact O-N 3.27Å; A789-I814 HydrophobicContact CB-CD1 4.11Å; A789-W846 HydrophobicContact CB-CH2 3.8Å; A789-W846 HydrophobicContact CB-CZ3 4.4Å; A789-W846 VanDerWaalsContact O-CH2 3.22Å; A789-W846 WeakPolarHBondContact O-CH2 3.24Å; A789-W846 WeakPolarHBondContact O-CZ2 3.36Å; A789-L854 HydrophobicContact CB-CD1 3.85Å; A789-L854 HydrophobicContact CB-CD2 3.96Å
790L94.5Very high90.7Very high0 Ų038.5 Ų38.50%022%0.216CC..  trans-119.591.2-176.9-58.4179.1000109.8V737 A741 A772 L773 A776 N788 L792 M805 S812V737-L790 HydrophobicContact CG1-CD2 4.3Å; A741-L790 HydrophobicContact CB-CB 4.44Å; A772-L790 HydrophobicContact CB-CD2 3.46Å; A772-L790 VanDerWaalsContact CB-CD2 3.46Å; L773-L790 HydrophobicContact CB-CD1 4.22Å; L773-L790 HydrophobicContact CD1-CD1 3.98Å; A776-L790 HydrophobicContact CB-CD1 4.32Å; N788-L790 VanDerWaalsContact C-N 3.27Å; N788-L790 HydrophobicContact CB-CD1 4.15Å; N788-L790 HydrophobicContact CB-CG 4.18Å; N788-L790 PolarHBondContact O-N 3.13Å; L790-L792 PolarHBondContact O-N 2.78Å; L790-M805 HydrophobicContact CD1-CE 4.01Å; L790-S812 VanDerWaalsContact C-OG 3.31Å; L790-S812 VanDerWaalsContact O-CB 3.31Å; L790-S812 WeakPolarHBondContact O-CB 3.46Å; L790-S812 PolarHBondContact O-OG 2.91Å
791P94.7Very high90.8Very high0 Ų036 Ų360%021%0.205CC..  trans-52.7124.6-171.8-26.734.1000113.4G739 I814 N821 W846 W850G739-P791 VanDerWaalsContact O-CD 3.27Å; G739-P791 WeakPolarHBondContact O-CD 3.5Å; P791-I814 HydrophobicContact CB-CB 4.47Å; P791-I814 HydrophobicContact CB-CG2 3.92Å; P791-I814 HydrophobicContact CG-CB 4.44Å; P791-I814 HydrophobicContact CG-CD1 4.21Å; P791-I814 HydrophobicContact CG-CG2 4.12Å; P791-N821 PolarHBondContact O-ND2 2.69Å; P791-W846 VanDerWaalsContact CD-CZ2 3.5Å; P791-W846 HydrophobicContact CG-CD2 4.26Å; P791-W846 HydrophobicContact CG-CH2 4.17Å; P791-W846 HydrophobicContact CG-CZ2 3.64Å; P791-W850 HydrophobicContact CB-CE3 4.26Å; P791-W850 HydrophobicContact CB-CH2 4.13Å; P791-W850 HydrophobicContact CB-CZ3 3.57Å; P791-W850 HydrophobicContact CG-CE3 4.08Å; P791-W850 HydrophobicContact CG-CZ3 3.74Å
792L94.1Very high91Very high4 Ų436.1 Ų36.12%0.02121%0.205CC..BIsolated β-bridgetrans-112.9139.6174-63.4-177.4000110.3A741 L790 I801 R802 M805 I814 N816 N821A741-L792 HydrophobicContact CB-CD2 4.46Å; L790-L792 PolarHBondContact O-N 2.78Å; L792-I801 HydrophobicContact CD2-CB 4.13Å; L792-I801 HydrophobicContact CD2-CG2 3.45Å; L792-I801 VanDerWaalsContact CD2-CG2 3.45Å; L792-R802 HydrophobicContact CD1-CB 4.34Å; L792-M805 HydrophobicContact CD1-SD 3.95Å; L792-M805 HydrophobicContact CD2-SD 4.3Å; L792-I814 PolarHBondContact N-O 3.38Å; L792-N816 PolarHBondContact O-N 2.86Å; L792-N821 WeakPolarHBondContact CA-OD1 3.48Å
793G93Very high91.1Very high0 Ų039.3 Ų39.30%022%0.223CC..  trans-104.3-154.3179.900000113.3A798 R802 N816 G819 N821G793-A798 VanDerWaalsContact O-CB 3.31Å; G793-A798 WeakPolarHBondContact O-CB 3.22Å; G793-R802 PolarHBondContact O-NH2 2.97Å; G793-R802 VanDerWaalsContact O-NH2 3.11Å; G793-N816 CarbonylContact C-O 3.57Å; G793-G819 CarbonylContact C-O 3.15Å; G793-G819 WeakPolarHBondContact CA-O 3.39Å; G793-N821 PolarHBondContact N-OD1 2.85Å
794Q90.1Very high91.3Very high99 Ų9938.7 Ų38.746%0.46320%0.202SC..SBendtrans-120.6117.1169.4-58.8-58.6-42.100109.6N816 A817 G819Q794-N816 PolarHBondContact NE2-O 3.44Å; Q794-A817 WeakPolarHBondContact CG-O 3.24Å; Q794-G819 PolarHBondContact N-O 2.87Å; Q794-G819 CarbonylContact O-C 3.4Å
795G91.7Very high91.7Very high34 Ų3438 Ų3835%0.35120%0.199SC..SBendtrans162.3-175178.900000112.5E799 D820G795-E799 WeakPolarHBondContact O-CB 3.25Å; G795-E799 PolarHBondContact O-N 2.88Å; G795-D820 VanDerWaalsContact C-OD2 3.29Å; G795-D820 VanDerWaalsContact CA-CG 3.44Å; G795-D820 VanDerWaalsContact CA-OD2 3.3Å; G795-D820 WeakPolarHBondContact CA-OD2 3.33Å
796V91.7Very high92.1Very high100 Ų10035 Ų3561%0.60620%0.196SC*.Hα-helixtrans-67.5-41.1-174.2178.60000110.2I800 D820V796-I800 HydrophobicContact CG1-CD1 4.06Å; V796-I800 VanDerWaalsContact O-CG1 3.3Å; V796-I800 WeakPolarHBondContact O-CG1 3.32Å; V796-I800 PolarHBondContact O-N 2.78Å; V796-I800 VanDerWaalsContact O-N 3.11Å; V796-D820 PolarHBondContact N-OD2 2.82Å
797W93.4Very high92Very high59 Ų5942.4 Ų42.422%0.22323%0.226CC..Hα-helixtrans-71.3-44.9-179.8-57.7136.6000111.5I743 V745 V766 E799 I800 I801 D820 N821 W823I743-W797 HydrophobicContact CB-CD2 4.23Å; I743-W797 HydrophobicContact CB-CE3 4.06Å; I743-W797 HydrophobicContact CB-CG 4.48Å; I743-W797 HydrophobicContact CD1-CE3 4.37Å; I743-W797 HydrophobicContact CG1-CB 3.72Å; I743-W797 HydrophobicContact CG1-CD2 3.96Å; I743-W797 HydrophobicContact CG1-CE3 3.68Å; I743-W797 HydrophobicContact CG1-CG 4.02Å; I743-W797 HydrophobicContact CG2-CD2 4.27Å; I743-W797 HydrophobicContact CG2-CE3 3.76Å; I743-W797 HydrophobicContact CG2-CH2 4.39Å; I743-W797 HydrophobicContact CG2-CZ3 3.84Å; V745-W797 HydrophobicContact CG2-CH2 4.14Å; V745-W797 HydrophobicContact CG2-CZ2 4.46Å; V766-W797 HydrophobicContact CG1-CH2 4.46Å; V766-W797 HydrophobicContact CG1-CZ3 3.85Å; W797-E799 VanDerWaalsContact C-N 3.28Å; W797-E799 PolarHBondContact O-N 2.89Å; W797-I800 HydrophobicContact CE3-CD1 3.82Å; W797-I800 HydrophobicContact CZ3-CD1 3.93Å; W797-I800 PolarHBondContact O-N 3.48Å; W797-I800 VanDerWaalsContact O-N 3.16Å; W797-I801 VanDerWaalsContact O-CG1 3.27Å; W797-I801 WeakPolarHBondContact O-CG1 3.24Å; W797-I801 PolarHBondContact O-N 2.64Å; W797-D820 WeakPolarHBondContact CB-OD1 3.48Å; W797-D820 PolarHBondContact N-OD1 2.84Å; W797-D820 PolarHBondContact N-OD2 3.31Å; W797-D820 VanDerWaalsContact N-OD2 3.1Å; W797-N821 HydrophobicContact CB-CB 4.31Å; W797-W823 AromaticContact CD1-CD1 3.77Å; W797-W823 AromaticContact NE1-CD1 3.38Å; W797-W823 AromaticContact NE1-CG 3.65Å; W797-W823 AromaticContact NE1-NE1 3.85Å
798A93.6Very high91.9Very high1 Ų143.3 Ų43.31%0.00823%0.225CC..Hα-helixtrans-56.3-42.3174.700000111.7G793 I801 R802 D820 N821G793-A798 VanDerWaalsContact O-CB 3.31Å; G793-A798 WeakPolarHBondContact O-CB 3.22Å; A798-I801 PolarHBondContact O-N 3.12Å; A798-R802 WeakPolarHBondContact O-CB 3.26Å; A798-R802 PolarHBondContact O-N 2.93Å; A798-D820 VanDerWaalsContact CB-OD1 3.28Å; A798-D820 WeakPolarHBondContact CB-OD1 3.24Å; A798-D820 PolarHBondContact N-OD1 3.26Å; A798-N821 WeakPolarHBondContact CA-OD1 3.36Å; A798-N821 VanDerWaalsContact CB-OD1 3.25Å; A798-N821 WeakPolarHBondContact CB-OD1 3.19Å
799E92.9Very high91.5Very high75 Ų7545 Ų4535%0.3524%0.243SC..Hα-helixtrans-68.1-38.9178.3-169.363.3-159.800112.1G795 W797 R802 N803G795-E799 WeakPolarHBondContact O-CB 3.25Å; G795-E799 PolarHBondContact O-N 2.88Å; W797-E799 VanDerWaalsContact C-N 3.28Å; W797-E799 PolarHBondContact O-N 2.89Å; E799-R802 PolarHBondContact O-N 3.18Å; E799-N803 WeakPolarHBondContact O-CB 3.44Å; E799-N803 VanDerWaalsContact O-CG 3.31Å; E799-N803 PolarHBondContact O-N 2.9Å; E799-N803 PolarHBondContact O-ND2 2.83Å; E799-N803 PolarHBondContact OE1-ND2 3.5Å
800I91.9Very high91.2Very high65 Ų6545.4 Ų45.433%0.33325%0.245SC..Hα-helixtrans-64-46.4174.9-69.6168000110.4I743 V768 V796 W797 N803 R804I743-I800 HydrophobicContact CD1-CB 4.18Å; I743-I800 HydrophobicContact CD1-CG2 3.72Å; V768-I800 HydrophobicContact CG2-CG2 3.64Å; V796-I800 HydrophobicContact CG1-CD1 4.06Å; V796-I800 VanDerWaalsContact O-CG1 3.3Å; V796-I800 WeakPolarHBondContact O-CG1 3.32Å; V796-I800 PolarHBondContact O-N 2.78Å; V796-I800 VanDerWaalsContact O-N 3.11Å; W797-I800 HydrophobicContact CE3-CD1 3.82Å; W797-I800 HydrophobicContact CZ3-CD1 3.93Å; W797-I800 PolarHBondContact O-N 3.48Å; W797-I800 VanDerWaalsContact O-N 3.16Å; I800-N803 PolarHBondContact O-N 3.01Å; I800-R804 PolarHBondContact O-N 3.18Å
801I92.6Very high90.9Very high0 Ų051.9 Ų51.90%028%0.279CS..Hα-helixtrans-61-47.7176.8-65162.3000110.4A741 I743 V768 L792 W797 A798 N803 R804 M805 N821A741-I801 HydrophobicContact CB-CD1 4.4Å; A741-I801 HydrophobicContact CB-CG2 3.58Å; I743-I801 HydrophobicContact CD1-CD1 4.42Å; I743-I801 HydrophobicContact CD1-CG1 3.79Å; I743-I801 HydrophobicContact CG1-CD1 4.23Å; I743-I801 HydrophobicContact CG1-CG1 4.14Å; V768-I801 HydrophobicContact CG1-CB 4.41Å; V768-I801 HydrophobicContact CG1-CG1 4Å; V768-I801 HydrophobicContact CG1-CG2 4.4Å; L792-I801 HydrophobicContact CD2-CB 4.13Å; L792-I801 HydrophobicContact CD2-CG2 3.45Å; L792-I801 VanDerWaalsContact CD2-CG2 3.45Å; W797-I801 VanDerWaalsContact O-CG1 3.27Å; W797-I801 WeakPolarHBondContact O-CG1 3.24Å; W797-I801 PolarHBondContact O-N 2.64Å; A798-I801 PolarHBondContact O-N 3.12Å; I801-N803 VanDerWaalsContact C-N 3.33Å; I801-N803 PolarHBondContact O-N 2.88Å; I801-R804 WeakPolarHBondContact O-CB 3.42Å; I801-R804 PolarHBondContact O-N 2.9Å; I801-R804 VanDerWaalsContact O-N 3.08Å; I801-M805 HydrophobicContact CG2-CG 4.25Å; I801-M805 HydrophobicContact CG2-SD 4.08Å; I801-M805 WeakPolarHBondContact O-CG 3.37Å; I801-M805 PolarHBondContact O-N 3.45Å; I801-N821 HydrophobicContact CD1-CB 3.35Å
802R92.9Very high90.8Very high57 Ų5752.7 Ų52.722%0.21528%0.284CS..Hα-helixtrans-58.9-43.4-179.6-171.3-176.2-57.8-84.75.2111.8L792 G793 A798 E799 R804 M805 A806 D815L792-R802 HydrophobicContact CD1-CB 4.34Å; G793-R802 PolarHBondContact O-NH2 2.97Å; G793-R802 VanDerWaalsContact O-NH2 3.11Å; A798-R802 WeakPolarHBondContact O-CB 3.26Å; A798-R802 PolarHBondContact O-N 2.93Å; E799-R802 PolarHBondContact O-N 3.18Å; R802-R804 VanDerWaalsContact C-N 3.35Å; R802-M805 PolarHBondContact O-N 2.73Å; R802-A806 VanDerWaalsContact O-CB 3.31Å; R802-A806 WeakPolarHBondContact O-CB 3.36Å; R802-A806 PolarHBondContact O-N 2.92Å; R802-D815 IonicContact CZ-OD1 3.57Å; R802-D815 IonicContact CZ-OD2 3.72Å; R802-D815 IonicContact NH1-OD1 3.51Å; R802-D815 IonicContact NH1-OD2 2.73Å; R802-D815 PolarHBondContact NH1-OD2 3.25Å; R802-D815 IonicContact NH2-OD1 3.68Å; R802-D815 PolarHBondContact NH2-OD1 3.35Å; R802-D815 IonicContact NH2-OD2 3.89Å; R802-D815 PolarHBondContact NH2-OD2 2.84Å
803N91Very high90.6Very high90 Ų9056.6 Ų56.648%0.48131%0.305SS..Hα-helixtrans-66.1-37.1175.9-75.4-46.8000112.2E799 I800 I801 K807E799-N803 WeakPolarHBondContact O-CB 3.44Å; E799-N803 VanDerWaalsContact O-CG 3.31Å; E799-N803 PolarHBondContact O-N 2.9Å; E799-N803 PolarHBondContact O-ND2 2.83Å; E799-N803 PolarHBondContact OE1-ND2 3.5Å; I800-N803 PolarHBondContact O-N 3.01Å; I801-N803 VanDerWaalsContact C-N 3.33Å; I801-N803 PolarHBondContact O-N 2.88Å; N803-K807 PolarHBondContact O-N 2.85Å
804R87.1Confident90.5Very high46 Ų4656.7 Ų56.717%0.17431%0.306CS..Hα-helixtrans-66.6-48175.1-17764.4175.5129.9-1.6111.8V768 I800 I801 R802 A806 K807 E808 D1022V768-R804 HydrophobicContact CB-CB 4.18Å; V768-R804 HydrophobicContact CB-CG 3.93Å; V768-R804 HydrophobicContact CG1-CB 4.13Å; V768-R804 HydrophobicContact CG1-CG 4.04Å; V768-R804 HydrophobicContact CG2-CB 3.85Å; V768-R804 HydrophobicContact CG2-CG 4.08Å; I800-R804 PolarHBondContact O-N 3.18Å; I801-R804 WeakPolarHBondContact O-CB 3.42Å; I801-R804 PolarHBondContact O-N 2.9Å; I801-R804 VanDerWaalsContact O-N 3.08Å; R802-R804 VanDerWaalsContact C-N 3.35Å; R804-A806 VanDerWaalsContact C-N 3.32Å; R804-A806 PolarHBondContact O-N 3.34Å; R804-K807 WeakPolarHBondContact O-CB 3.41Å; R804-K807 PolarHBondContact O-N 3.42Å; R804-K807 VanDerWaalsContact O-N 3.15Å; R804-E808 IonicContact CZ-OE1 2.67Å; R804-E808 VanDerWaalsContact CZ-OE1 3.26Å; R804-E808 IonicContact NH1-OE1 2.73Å; R804-E808 PolarHBondContact NH1-OE1 3.18Å; R804-E808 IonicContact NH2-OE1 2.82Å; R804-E808 PolarHBondContact NH2-OE1 3.4Å; R804-E808 PolarHBondContact O-N 3.15Å; R804-D1022 IonicContact CZ-OD2 3.6Å; R804-D1022 IonicContact NE-OD2 3.69Å; R804-D1022 PolarHBondContact NE-OD2 3.45Å; R804-D1022 IonicContact NH2-OD2 2.95Å; R804-D1022 PolarHBondContact NH2-OD2 2.94Å
805M91.8Very high90.2Very high4 Ų455.5 Ų55.52%0.0230%0.302CS..Hα-helixtrans-57.2-46.4175.6-71.8-174.774.700110.9L773 N788 L790 L792 I801 R802 K807 E808 G809 L810L773-M805 HydrophobicContact CD1-CE 4.48Å; L773-M805 HydrophobicContact CD1-CG 3.75Å; L773-M805 HydrophobicContact CD1-SD 4.31Å; N788-M805 HydrophobicContact CB-CE 4.49Å; L790-M805 HydrophobicContact CD1-CE 4.01Å; L792-M805 HydrophobicContact CD1-SD 3.95Å; L792-M805 HydrophobicContact CD2-SD 4.3Å; I801-M805 HydrophobicContact CG2-CG 4.25Å; I801-M805 HydrophobicContact CG2-SD 4.08Å; I801-M805 WeakPolarHBondContact O-CG 3.37Å; I801-M805 PolarHBondContact O-N 3.45Å; R802-M805 PolarHBondContact O-N 2.73Å; M805-K807 VanDerWaalsContact C-N 3.29Å; M805-K807 PolarHBondContact O-N 3.35Å; M805-E808 CarbonylContact O-C 3.57Å; M805-E808 PolarHBondContact O-N 2.94Å; M805-E808 VanDerWaalsContact O-N 3.1Å; M805-G809 PolarHBondContact O-N 3.36Å; M805-G809 VanDerWaalsContact O-N 3.09Å; M805-L810 CarbonylContact C-O 3.58Å; M805-L810 HydrophobicContact CB-CB 4.03Å; M805-L810 HydrophobicContact CE-CB 3.97Å; M805-L810 HydrophobicContact CG-CB 4.47Å; M805-L810 PolarHBondContact O-N 2.99Å
806A90.1Very high89.9Confident66 Ų6655.7 Ų55.755%0.54530%0.295SS..Hα-helixtrans-60.9-36177.700000112.8R802 R804 E808 G809R802-A806 VanDerWaalsContact O-CB 3.31Å; R802-A806 WeakPolarHBondContact O-CB 3.36Å; R802-A806 PolarHBondContact O-N 2.92Å; R804-A806 VanDerWaalsContact C-N 3.32Å; R804-A806 PolarHBondContact O-N 3.34Å; A806-E808 VanDerWaalsContact C-N 3.29Å; A806-E808 PolarHBondContact O-N 3.43Å; A806-G809 PolarHBondContact O-N 3.16Å; A806-G809 VanDerWaalsContact O-N 3.11Å
807K87.9Confident89.2Confident165 Ų16554.8 Ų54.872%0.71730%0.298SS*.Hα-helixtrans-64.2-33.7176-170.7-178174.8-167.60112.6N803 R804 M805 G809N803-K807 PolarHBondContact O-N 2.85Å; R804-K807 WeakPolarHBondContact O-CB 3.41Å; R804-K807 PolarHBondContact O-N 3.42Å; R804-K807 VanDerWaalsContact O-N 3.15Å; M805-K807 VanDerWaalsContact C-N 3.29Å; M805-K807 PolarHBondContact O-N 3.35Å; K807-G809 VanDerWaalsContact C-N 3.32Å
808E86.3Confident88.8Confident39 Ų3959.1 Ų59.118%0.18232%0.321CS..THydrogen-bonded Turntrans-87.70.6175.2-60.8-63.4157.500112.6V777 K780 R804 M805 A806 L810V777-E808 HydrophobicContact CG1-CG 4.28Å; V777-E808 HydrophobicContact CG2-CB 4.45Å; V777-E808 HydrophobicContact CG2-CG 4.1Å; K780-E808 WeakPolarHBondContact CG-O 3.33Å; R804-E808 IonicContact CZ-OE1 2.67Å; R804-E808 VanDerWaalsContact CZ-OE1 3.26Å; R804-E808 IonicContact NH1-OE1 2.73Å; R804-E808 PolarHBondContact NH1-OE1 3.18Å; R804-E808 IonicContact NH2-OE1 2.82Å; R804-E808 PolarHBondContact NH2-OE1 3.4Å; R804-E808 PolarHBondContact O-N 3.15Å; M805-E808 CarbonylContact O-C 3.57Å; M805-E808 PolarHBondContact O-N 2.94Å; M805-E808 VanDerWaalsContact O-N 3.1Å; A806-E808 VanDerWaalsContact C-N 3.29Å; A806-E808 PolarHBondContact O-N 3.43Å; E808-L810 VanDerWaalsContact C-N 3.32Å; E808-L810 HydrophobicContact CB-CD1 4.17Å; E808-L810 HydrophobicContact CB-CG 4.23Å
809G86.2Confident88.6Confident41 Ų4160.9 Ų60.942%0.42334%0.34SS..THydrogen-bonded Turntrans71.424.4-176.600000114.2K780 M805 A806 K807K780-G809 VanDerWaalsContact CE-O 3.26Å; K780-G809 WeakPolarHBondContact CE-O 3.49Å; K780-G809 PolarHBondContact NZ-O 3.37Å; M805-G809 PolarHBondContact O-N 3.36Å; M805-G809 VanDerWaalsContact O-N 3.09Å; A806-G809 PolarHBondContact O-N 3.16Å; A806-G809 VanDerWaalsContact O-N 3.11Å; K807-G809 VanDerWaalsContact C-N 3.32Å
810L88.8Confident88.6Confident8 Ų859.5 Ų59.54%0.04234%0.335CS..  trans-96.2146.1177-66171.8000111.3L773 A776 V777 K780 M805 E808L773-L810 HydrophobicContact CD1-CD1 4.21Å; A776-L810 HydrophobicContact CB-CD1 4.06Å; A776-L810 HydrophobicContact CB-CD2 4.43Å; V777-L810 HydrophobicContact CB-CD1 4.48Å; V777-L810 HydrophobicContact CG2-CD1 3.64Å; K780-L810 HydrophobicContact CB-CD2 3.79Å; K780-L810 HydrophobicContact CB-CG 4.43Å; K780-L810 HydrophobicContact CD-CD2 4.21Å; K780-L810 HydrophobicContact CG-CD2 3.97Å; K780-L810 HydrophobicContact CG-CG 4.38Å; M805-L810 CarbonylContact C-O 3.58Å; M805-L810 HydrophobicContact CB-CB 4.03Å; M805-L810 HydrophobicContact CE-CB 3.97Å; M805-L810 HydrophobicContact CG-CB 4.47Å; M805-L810 PolarHBondContact O-N 2.99Å; E808-L810 VanDerWaalsContact C-N 3.32Å; E808-L810 HydrophobicContact CB-CD1 4.17Å; E808-L810 HydrophobicContact CB-CG 4.23Å
811I87.8Confident88.8Confident136 Ų13656.6 Ų56.670%0.69732%0.319SS*.  trans-130.4134.6174-58174.6000107.9
812S92Very high88.8Confident17 Ų1756.7 Ų56.712%0.11932%0.32CS..BIsolated β-bridgetrans-79137170.6179.70000111.2N788 L790 I814N788-S812 CarbonylContact O-C 3.11Å; N788-S812 WeakPolarHBondContact O-CA 3.45Å; L790-S812 VanDerWaalsContact C-OG 3.31Å; L790-S812 VanDerWaalsContact O-CB 3.31Å; L790-S812 WeakPolarHBondContact O-CB 3.46Å; L790-S812 PolarHBondContact O-OG 2.91Å; S812-I814 PolarHBondContact O-N 3.12Å; S812-I814 PolarHBondContact OG-N 3.36Å; S812-I814 VanDerWaalsContact OG-N 3.1Å; S812-I814 PolarHBondContact OG-O 2.81Å; S812-I814 VanDerWaalsContact OG-O 3.11Å
813L90.3Very high88.8Confident86 Ų8657.3 Ų57.345%0.4532%0.323SS..SBendtrans-74.2-12172.5-61.5177.5000112.7M736 N788 L854M736-L813 HydrophobicContact CE-CD1 4.05Å; N788-L813 PolarHBondContact O-N 3.42Å; L813-L854 HydrophobicContact CB-CD2 3.9Å; L813-L854 HydrophobicContact CD1-CD2 3.94Å
814I89.8Confident88.7Confident3 Ų353.6 Ų53.62%0.01530%0.304CS..  trans-126.2104.8-175.8-59.3173000109A789 P791 L792 S812 W846 W850 L854A789-I814 HydrophobicContact CB-CD1 4.11Å; P791-I814 HydrophobicContact CB-CB 4.47Å; P791-I814 HydrophobicContact CB-CG2 3.92Å; P791-I814 HydrophobicContact CG-CB 4.44Å; P791-I814 HydrophobicContact CG-CD1 4.21Å; P791-I814 HydrophobicContact CG-CG2 4.12Å; L792-I814 PolarHBondContact N-O 3.38Å; S812-I814 PolarHBondContact O-N 3.12Å; S812-I814 PolarHBondContact OG-N 3.36Å; S812-I814 VanDerWaalsContact OG-N 3.1Å; S812-I814 PolarHBondContact OG-O 2.81Å; S812-I814 VanDerWaalsContact OG-O 3.11Å; I814-W846 HydrophobicContact CD1-CE3 4.05Å; I814-W846 HydrophobicContact CD1-CH2 3.53Å; I814-W846 HydrophobicContact CD1-CZ2 4.47Å; I814-W846 HydrophobicContact CD1-CZ3 3.28Å; I814-W850 HydrophobicContact CD1-CB 4.08Å; I814-W850 HydrophobicContact CD1-CE3 4.37Å; I814-W850 HydrophobicContact CG1-CB 4.36Å; I814-W850 HydrophobicContact CG2-CB 4.29Å; I814-W850 HydrophobicContact CG2-CD2 3.35Å; I814-W850 HydrophobicContact CG2-CE3 3.42Å; I814-W850 VanDerWaalsContact CG2-CE3 3.42Å; I814-W850 HydrophobicContact CG2-CG 3.78Å; I814-W850 HydrophobicContact CG2-CH2 4.33Å; I814-W850 HydrophobicContact CG2-CZ2 4.3Å; I814-W850 HydrophobicContact CG2-CZ3 3.91Å; I814-L854 HydrophobicContact CD1-CD2 4.43Å; I814-L854 HydrophobicContact CG1-CD2 4.35Å
815D85.6Confident88.8Confident74 Ų7452.9 Ų52.940%0.39630%0.303SS..BIsolated β-bridgetrans-116.3119.3172.9-157.5-15.7000108.8R802R802-D815 IonicContact CZ-OD1 3.57Å; R802-D815 IonicContact CZ-OD2 3.72Å; R802-D815 IonicContact NH1-OD1 3.51Å; R802-D815 IonicContact NH1-OD2 2.73Å; R802-D815 PolarHBondContact NH1-OD2 3.25Å; R802-D815 IonicContact NH2-OD1 3.68Å; R802-D815 PolarHBondContact NH2-OD1 3.35Å; R802-D815 IonicContact NH2-OD2 3.89Å; R802-D815 PolarHBondContact NH2-OD2 2.84Å
816N84.2Confident88.6Confident37 Ų3752.8 Ų52.820%0.19830%0.303CS..  trans-104.4141.6179.8-163.238.8000110.7L792 G793 Q794 E818 W850L792-N816 PolarHBondContact O-N 2.86Å; G793-N816 CarbonylContact C-O 3.57Å; Q794-N816 PolarHBondContact NE2-O 3.44Å; N816-E818 VanDerWaalsContact C-N 3.28Å; N816-E818 PolarHBondContact ND2-O 2.79Å; N816-E818 PolarHBondContact O-N 3.32Å; N816-W850 HydrophobicContact CB-CH2 4.14Å; N816-W850 HydrophobicContact CB-CZ2 3.58Å; N816-W850 VanDerWaalsContact CG-CZ2 3.45Å
817A77.8Confident88.5Confident81 Ų8149.8 Ų49.867%0.66928%0.278SS*.SBendtrans-79.5-10.9179.600000113.3Q794Q794-A817 WeakPolarHBondContact CG-O 3.24Å
818E83.9Confident88.5Confident150 Ų15042.7 Ų42.770%0.70125%0.249SC*.SBendtrans-132.1148.8-172.6-63.2-174.5177.500112.2N816 V842N816-E818 VanDerWaalsContact C-N 3.28Å; N816-E818 PolarHBondContact ND2-O 2.79Å; N816-E818 PolarHBondContact O-N 3.32Å; E818-V842 VanDerWaalsContact O-CG1 3.28Å; E818-V842 WeakPolarHBondContact O-CG1 3.48Å
819G89.1Confident88.6Confident39 Ų3943 Ų4340%0.40225%0.25SC..SBendtrans76.6155.3-179.600000113.5G793 Q794G793-G819 CarbonylContact C-O 3.15Å; G793-G819 WeakPolarHBondContact CA-O 3.39Å; Q794-G819 PolarHBondContact N-O 2.87Å; Q794-G819 CarbonylContact O-C 3.4Å
820D94.6Very high88.5Confident46 Ų4646.3 Ų46.325%0.24626%0.264CS..PPolyproline II helixtrans-100.3164.2173.8-155.7-5.9000110.3G795 V796 W797 A798 G841 V842G795-D820 VanDerWaalsContact C-OD2 3.29Å; G795-D820 VanDerWaalsContact CA-CG 3.44Å; G795-D820 VanDerWaalsContact CA-OD2 3.3Å; G795-D820 WeakPolarHBondContact CA-OD2 3.33Å; V796-D820 PolarHBondContact N-OD2 2.82Å; W797-D820 WeakPolarHBondContact CB-OD1 3.48Å; W797-D820 PolarHBondContact N-OD1 2.84Å; W797-D820 PolarHBondContact N-OD2 3.31Å; W797-D820 VanDerWaalsContact N-OD2 3.1Å; A798-D820 VanDerWaalsContact CB-OD1 3.28Å; A798-D820 WeakPolarHBondContact CB-OD1 3.24Å; A798-D820 PolarHBondContact N-OD1 3.26Å; D820-G841 VanDerWaalsContact O-CA 3.29Å; D820-G841 WeakPolarHBondContact O-CA 3.33Å; D820-V842 PolarHBondContact O-N 3.28Å
821N94.9Very high88.1Confident3 Ų351.7 Ų51.72%0.01629%0.293CS..PPolyproline II helixtrans-67.7147.5171-77.277.2000110.9A741 P791 L792 G793 W797 A798 I801 V842A741-N821 PolarHBondContact O-ND2 3.31Å; P791-N821 PolarHBondContact O-ND2 2.69Å; L792-N821 WeakPolarHBondContact CA-OD1 3.48Å; G793-N821 PolarHBondContact N-OD1 2.85Å; W797-N821 HydrophobicContact CB-CB 4.31Å; A798-N821 WeakPolarHBondContact CA-OD1 3.36Å; A798-N821 VanDerWaalsContact CB-OD1 3.25Å; A798-N821 WeakPolarHBondContact CB-OD1 3.19Å; I801-N821 HydrophobicContact CD1-CB 3.35Å; N821-V842 HydrophobicContact CB-CG2 4.45Å
822G92.2Very high87.4Confident2 Ų247.4 Ų47.42%0.02128%0.282CS..PPolyproline II helixtrans-65.9161.2174.900000112.4V742 I743 F839 E843V742-G822 WeakPolarHBondContact CA-O 3.26Å; V742-G822 WeakPolarHBondContact CB-O 3.46Å; I743-G822 PolarHBondContact N-O 2.89Å; I743-G822 VanDerWaalsContact N-O 3.16Å; G822-F839 CarbonylContact C-O 3.6Å; G822-F839 WeakPolarHBondContact CA-O 3.38Å; G822-E843 WeakPolarHBondContact CA-OE2 3.13Å; G822-E843 PolarHBondContact N-OE2 3.09Å
823W92.7Very high86.8Confident70 Ų7052.7 Ų52.727%0.26531%0.305SS..EExtended strand (participates in β ladder)trans-146.1153.2179.466-76.3000111.2I743 V745 W797 L825 F839I743-W823 HydrophobicContact CB-CB 3.89Å; I743-W823 HydrophobicContact CG2-CB 4.4Å; I743-W823 CarbonylContact O-C 3.51Å; I743-W823 WeakPolarHBondContact O-CA 3.37Å; I743-W823 WeakPolarHBondContact O-CB 3.31Å; V745-W823 HydrophobicContact CB-CE3 4.18Å; V745-W823 HydrophobicContact CB-CZ3 4.27Å; V745-W823 HydrophobicContact CG2-CE3 3.72Å; V745-W823 HydrophobicContact CG2-CZ3 4.12Å; W797-W823 AromaticContact CD1-CD1 3.77Å; W797-W823 AromaticContact NE1-CD1 3.38Å; W797-W823 AromaticContact NE1-CG 3.65Å; W797-W823 AromaticContact NE1-NE1 3.85Å; W823-L825 HydrophobicContact CE3-CB 4.47Å; W823-L825 HydrophobicContact CZ3-CB 3.82Å; W823-F839 AromaticContact CD2-CD2 3.99Å; W823-F839 HydrophobicContact CD2-CD2 3.99Å; W823-F839 AromaticContact CE2-CD2 3.45Å; W823-F839 VanDerWaalsContact CE2-CD2 3.45Å; W823-F839 AromaticContact CE2-CG 3.86Å; W823-F839 HydrophobicContact CE3-CD2 4.42Å; W823-F839 HydrophobicContact CG-CB 4.45Å; W823-F839 AromaticContact CH2-CD2 3.94Å; W823-F839 HydrophobicContact CH2-CD2 3.94Å; W823-F839 AromaticContact CH2-CE2 3.68Å; W823-F839 HydrophobicContact CH2-CE2 3.68Å; W823-F839 HydrophobicContact CH2-CZ 4.47Å; W823-F839 AromaticContact CZ2-CD2 3.42Å; W823-F839 HydrophobicContact CZ2-CD2 3.42Å; W823-F839 VanDerWaalsContact CZ2-CD2 3.42Å; W823-F839 AromaticContact CZ2-CE2 3.46Å; W823-F839 HydrophobicContact CZ2-CE2 3.46Å; W823-F839 VanDerWaalsContact CZ2-CE2 3.46Å; W823-F839 HydrophobicContact CZ2-CG 4.04Å; W823-F839 HydrophobicContact CZ2-CZ 4.1Å; W823-F839 HydrophobicContact CZ3-CD2 4.42Å; W823-F839 HydrophobicContact CZ3-CE2 4.38Å; W823-F839 PolarHBondContact N-O 3.42Å; W823-F839 AromaticContact NE1-CD2 3.82Å; W823-F839 AromaticContact NE1-CG 3.72Å; W823-F839 PolarHBondContact O-N 2.94Å
824C89.2Confident86.3Confident12 Ų1253 Ų538%0.08130%0.3CS..EExtended strand (participates in β ladder)trans-118.2126-179.2-165.90000109.4I743 D744 V745 M837 S838I743-C824 PolarHBondContact O-N 3.34Å; D744-C824 WeakPolarHBondContact CA-O 3.48Å; D744-C824 WeakPolarHBondContact OD1-CB 3.21Å; V745-C824 PolarHBondContact N-O 2.92Å; C824-M837 WeakPolarHBondContact CA-O 3.32Å; C824-S838 PolarHBondContact SG-OG 3.36Å
825L88.8Confident86.1Confident31 Ų3155.3 Ų55.316%0.16231%0.314CS..EExtended strand (participates in β ladder)trans-89.5113.4168.2-179.958.9000108.6V745 A747 W823 L827 F836 M837V745-L825 HydrophobicContact CB-CD1 4.26Å; V745-L825 HydrophobicContact CG1-CD1 4.04Å; V745-L825 WeakPolarHBondContact O-CA 3.4Å; A747-L825 HydrophobicContact CB-CD1 4.35Å; W823-L825 HydrophobicContact CE3-CB 4.47Å; W823-L825 HydrophobicContact CZ3-CB 3.82Å; L825-L827 HydrophobicContact CD1-CD2 4.3Å; L825-L827 HydrophobicContact CD2-CD2 4.27Å; L825-L827 HydrophobicContact CG-CD2 4.1Å; L825-F836 WeakPolarHBondContact O-CA 3.39Å; L825-M837 HydrophobicContact CB-CB 4.38Å; L825-M837 HydrophobicContact CB-CE 4.37Å; L825-M837 HydrophobicContact CD2-CE 3.63Å; L825-M837 HydrophobicContact CG-CE 3.94Å; L825-M837 PolarHBondContact N-O 3.4Å; L825-M837 PolarHBondContact O-N 2.97Å
826A87.7Confident86Confident2 Ų257.4 Ų57.42%0.01732%0.32CS..EExtended strand (participates in β ladder)trans-100.3111.9173.400000109.6V745 I746 A747 F836V745-A826 PolarHBondContact O-N 3.41Å; I746-A826 WeakPolarHBondContact CA-O 3.29Å; I746-A826 HydrophobicContact CG1-CB 4.38Å; A747-A826 PolarHBondContact N-O 3.2Å; A826-F836 HydrophobicContact CB-CD1 3.74Å; A826-F836 HydrophobicContact CB-CE1 3.66Å
827L89.4Confident86.1Confident3 Ų359.5 Ų59.52%0.01633%0.329CS..EExtended strand (participates in β ladder)trans-87.7124.7171.3-59.7-176.1000109.1A747 A749 L752 L761 L825 R834 T835 M837A747-L827 HydrophobicContact CB-CD2 4.31Å; A747-L827 WeakPolarHBondContact O-CA 3.38Å; A749-L827 HydrophobicContact CB-CB 4.25Å; L752-L827 HydrophobicContact CD2-CD1 3.91Å; L761-L827 HydrophobicContact CD1-CD2 3.57Å; L761-L827 HydrophobicContact CD2-CD2 3.92Å; L761-L827 HydrophobicContact CG-CD2 4.39Å; L825-L827 HydrophobicContact CD1-CD2 4.3Å; L825-L827 HydrophobicContact CD2-CD2 4.27Å; L825-L827 HydrophobicContact CG-CD2 4.1Å; L827-R834 VanDerWaalsContact O-CA 3.27Å; L827-R834 WeakPolarHBondContact O-CA 3.34Å; L827-T835 PolarHBondContact N-O 3.18Å; L827-T835 PolarHBondContact O-N 2.89Å; L827-M837 HydrophobicContact CD1-CE 3.46Å; L827-M837 VanDerWaalsContact CD1-CE 3.46Å; L827-M837 HydrophobicContact CD2-CE 4.27Å; L827-M837 HydrophobicContact CG-CE 3.62Å
828V86.6Confident86.6Confident17 Ų1759.6 Ų59.610%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-106.8117.7179.1-1700000109I746 A747 A749 R834I746-V828 HydrophobicContact CG2-CG2 3.58Å; A747-V828 PolarHBondContact O-N 3.05Å; A749-V828 PolarHBondContact N-O 3.07Å; A749-V828 VanDerWaalsContact O-O 3.12Å; V828-R834 HydrophobicContact CG1-CG 4.44Å; V828-R834 HydrophobicContact CG2-CG 4.12Å
829E89.6Confident86.9Confident44 Ų4457.7 Ų57.721%0.20632%0.315CS..  trans-83.5163.2175.4-71.9-178.410400111.3A749 A751 L752 D831 G832 E833A749-E829 WeakPolarHBondContact O-CA 3.09Å; A751-E829 WeakPolarHBondContact CA-OE1 3.25Å; L752-E829 PolarHBondContact N-OE1 3.41Å; E829-D831 WeakPolarHBondContact CB-OD1 3.46Å; E829-D831 PolarHBondContact O-N 3.39Å; E829-D831 VanDerWaalsContact O-N 3.12Å; E829-G832 WeakPolarHBondContact O-CA 3.04Å; E829-G832 PolarHBondContact O-N 3.41Å; E829-E833 PolarHBondContact N-O 3.47Å
830P82.7Confident86.9Confident112 Ų11260.1 Ų60.173%0.72733%0.326SS*.THydrogen-bonded Turntrans-62.7-18.9-175-25.236.2000115.4A749 G832A749-P830 WeakPolarHBondContact O-CD 3.32Å; P830-G832 VanDerWaalsContact C-N 3.27Å
831D82Confident86.8Confident121 Ų12158.4 Ų58.465%0.64732%0.319SS*.THydrogen-bonded Turntrans-80.5-8.1172.459.22.6000113.1E829 E833E829-D831 WeakPolarHBondContact CB-OD1 3.46Å; E829-D831 PolarHBondContact O-N 3.39Å; E829-D831 VanDerWaalsContact O-N 3.12Å; D831-E833 WeakPolarHBondContact OD1-CB 3.44Å; D831-E833 PolarHBondContact OD1-N 3.36Å
832G72.7Confident86.7Confident45 Ų4558.3 Ų58.346%0.46432%0.318SS..SBendtrans92.2-5.2-17900000114.3E829 P830E829-G832 WeakPolarHBondContact O-CA 3.04Å; E829-G832 PolarHBondContact O-N 3.41Å; P830-G832 VanDerWaalsContact C-N 3.27Å
833E78.9Confident86.7Confident129 Ų12958.5 Ų58.560%0.60332%0.319SS*.  trans-65146.2175.9-73.9-6315100110.8E829 D831E829-E833 PolarHBondContact N-O 3.47Å; D831-E833 WeakPolarHBondContact OD1-CB 3.44Å; D831-E833 PolarHBondContact OD1-N 3.36Å
834R80.1Confident86.7Confident93 Ų9356.9 Ų56.935%0.35132%0.315SS..EExtended strand (participates in β ladder)trans-124129.7-173.4-59.2-170.3-175.9172.23.7112L827 V828 F836L827-R834 VanDerWaalsContact O-CA 3.27Å; L827-R834 WeakPolarHBondContact O-CA 3.34Å; V828-R834 HydrophobicContact CG1-CG 4.44Å; V828-R834 HydrophobicContact CG2-CG 4.12Å; R834-F836 HydrophobicContact CB-CE2 3.74Å; R834-F836 HydrophobicContact CB-CZ 3.76Å
835T84.4Confident86.8Confident50 Ų5061 Ų6131%0.30733%0.334SS..EExtended strand (participates in β ladder)trans-110128.3170.5-62.80000110.3L752 L827L752-T835 WeakPolarHBondContact CD1-OG1 3.4Å; L752-T835 HydrophobicContact CD2-CG2 3.95Å; L827-T835 PolarHBondContact N-O 3.18Å; L827-T835 PolarHBondContact O-N 2.89Å
836F84.5Confident87Confident119 Ų11960.2 Ų60.252%0.52233%0.328SS..EExtended strand (participates in β ladder)trans-106.6131.9-174.2-61.4-85.7000111.4L825 A826 R834L825-F836 WeakPolarHBondContact O-CA 3.39Å; A826-F836 HydrophobicContact CB-CD1 3.74Å; A826-F836 HydrophobicContact CB-CE1 3.66Å; R834-F836 HydrophobicContact CB-CE2 3.74Å; R834-F836 HydrophobicContact CB-CZ 3.76Å
837M86.8Confident87.3Confident80 Ų8062.5 Ų62.539%0.39434%0.34SS..EExtended strand (participates in β ladder)trans-123.3111.8171.8-67.1170.7-8000108.9C824 L825 L827C824-M837 WeakPolarHBondContact CA-O 3.32Å; L825-M837 HydrophobicContact CB-CB 4.38Å; L825-M837 HydrophobicContact CB-CE 4.37Å; L825-M837 HydrophobicContact CD2-CE 3.63Å; L825-M837 HydrophobicContact CG-CE 3.94Å; L825-M837 PolarHBondContact N-O 3.4Å; L825-M837 PolarHBondContact O-N 2.97Å; L827-M837 HydrophobicContact CD1-CE 3.46Å; L827-M837 VanDerWaalsContact CD1-CE 3.46Å; L827-M837 HydrophobicContact CD2-CE 4.27Å; L827-M837 HydrophobicContact CG-CE 3.62Å
838S87.4Confident87.4Confident83 Ų8369.1 Ų69.158%0.5837%0.365SS*.EExtended strand (participates in β ladder)trans-102.4135.4-173.2-49.70000112.1C824C824-S838 PolarHBondContact SG-OG 3.36Å
839F90Very high87.6Confident111 Ų11174.9 Ų74.949%0.48739%0.391SS..EExtended strand (participates in β ladder)trans-108.5115.9169.3-65.8-93.6000108.2G822 W823G822-F839 CarbonylContact C-O 3.6Å; G822-F839 WeakPolarHBondContact CA-O 3.38Å; W823-F839 AromaticContact CD2-CD2 3.99Å; W823-F839 HydrophobicContact CD2-CD2 3.99Å; W823-F839 AromaticContact CE2-CD2 3.45Å; W823-F839 VanDerWaalsContact CE2-CD2 3.45Å; W823-F839 AromaticContact CE2-CG 3.86Å; W823-F839 HydrophobicContact CE3-CD2 4.42Å; W823-F839 HydrophobicContact CG-CB 4.45Å; W823-F839 AromaticContact CH2-CD2 3.94Å; W823-F839 HydrophobicContact CH2-CD2 3.94Å; W823-F839 AromaticContact CH2-CE2 3.68Å; W823-F839 HydrophobicContact CH2-CE2 3.68Å; W823-F839 HydrophobicContact CH2-CZ 4.47Å; W823-F839 AromaticContact CZ2-CD2 3.42Å; W823-F839 HydrophobicContact CZ2-CD2 3.42Å; W823-F839 VanDerWaalsContact CZ2-CD2 3.42Å; W823-F839 AromaticContact CZ2-CE2 3.46Å; W823-F839 HydrophobicContact CZ2-CE2 3.46Å; W823-F839 VanDerWaalsContact CZ2-CE2 3.46Å; W823-F839 HydrophobicContact CZ2-CG 4.04Å; W823-F839 HydrophobicContact CZ2-CZ 4.1Å; W823-F839 HydrophobicContact CZ3-CD2 4.42Å; W823-F839 HydrophobicContact CZ3-CE2 4.38Å; W823-F839 PolarHBondContact N-O 3.42Å; W823-F839 AromaticContact NE1-CD2 3.82Å; W823-F839 AromaticContact NE1-CG 3.72Å; W823-F839 PolarHBondContact O-N 2.94Å
840S90.2Very high87.8Confident90 Ų9073.2 Ų73.263%0.62938%0.383SS*.  trans-75.8140177-57.70000111.7E843 N844S840-E843 VanDerWaalsContact CA-OE1 3.28Å; S840-E843 WeakPolarHBondContact CA-OE1 3.37Å; S840-N844 PolarHBondContact OG-ND2 3.47Å
841G92.4Very high88.2Confident10 Ų1068.1 Ų68.110%0.10335%0.349CS..  trans-124.7-144.6173.900000111.8D820 E843 N844 Q845D820-G841 VanDerWaalsContact O-CA 3.29Å; D820-G841 WeakPolarHBondContact O-CA 3.33Å; G841-E843 WeakPolarHBondContact CA-OE2 3.25Å; G841-E843 VanDerWaalsContact N-CD 3.3Å; G841-E843 PolarHBondContact N-OE1 3.48Å; G841-E843 PolarHBondContact N-OE2 3.03Å; G841-E843 VanDerWaalsContact N-OE2 3.08Å; G841-E843 PolarHBondContact O-N 2.89Å; G841-N844 PolarHBondContact O-N 2.93Å; G841-Q845 PolarHBondContact O-NE2 3.3Å
842V93.2Very high88.5Confident0 Ų066.7 Ų66.70%035%0.354CS..G310 helixtrans-62.2-21.5-177.7-64.70000114.3E818 D820 N821 N844 Q845E818-V842 VanDerWaalsContact O-CG1 3.28Å; E818-V842 WeakPolarHBondContact O-CG1 3.48Å; D820-V842 PolarHBondContact O-N 3.28Å; N821-V842 HydrophobicContact CB-CG2 4.45Å; V842-N844 PolarHBondContact O-N 3.1Å; V842-Q845 PolarHBondContact O-N 3.07Å
843E91.7Very high89.1Confident6 Ų671.9 Ų71.93%0.02836%0.36CS..G310 helixtrans-65.5-18.1-177.876.6-68.7160.300114A740 V742 G822 S840 G841 W846A740-E843 HydrophobicContact CB-CB 3.57Å; A740-E843 HydrophobicContact CB-CG 3.61Å; V742-E843 HydrophobicContact CG1-CG 3.86Å; G822-E843 WeakPolarHBondContact CA-OE2 3.13Å; G822-E843 PolarHBondContact N-OE2 3.09Å; S840-E843 VanDerWaalsContact CA-OE1 3.28Å; S840-E843 WeakPolarHBondContact CA-OE1 3.37Å; G841-E843 WeakPolarHBondContact CA-OE2 3.25Å; G841-E843 VanDerWaalsContact N-CD 3.3Å; G841-E843 PolarHBondContact N-OE1 3.48Å; G841-E843 PolarHBondContact N-OE2 3.03Å; G841-E843 VanDerWaalsContact N-OE2 3.08Å; G841-E843 PolarHBondContact O-N 2.89Å; E843-W846 VanDerWaalsContact O-CD1 3.29Å; E843-W846 PolarHBondContact O-NE1 3.15Å
844N91.5Very high89.5Confident37 Ų3766.5 Ų66.520%0.19834%0.335CS..G310 helixtrans-111.111.6175-70-41.2000112.8S840 G841 V842 Q868S840-N844 PolarHBondContact OG-ND2 3.47Å; G841-N844 PolarHBondContact O-N 2.93Å; V842-N844 PolarHBondContact O-N 3.1Å; N844-Q868 PolarHBondContact OD1-NE2 2.95Å; N844-Q868 VanDerWaalsContact OD1-NE2 3.16Å
845Q92.4Very high89.4Confident99 Ų9968.3 Ų68.346%0.46336%0.357SS..  trans-101.333.2-179.2-62.3179.619.200112.8G841 V842 N847 W850G841-Q845 PolarHBondContact O-NE2 3.3Å; V842-Q845 PolarHBondContact O-N 3.07Å; Q845-N847 PolarHBondContact O-N 3.15Å; Q845-N847 PolarHBondContact O-ND2 3.09Å; Q845-W850 HydrophobicContact CB-CH2 4.36Å; Q845-W850 WeakPolarHBondContact O-CZ3 3.33Å
846W92.9Very high89.4Confident14 Ų1467.3 Ų67.35%0.05335%0.351CS..  trans-55.4139.3178-68.783.7000111.5V738 A789 P791 I814 E843 L851 L854 C873 L876 L877V738-W846 HydrophobicContact CG1-CH2 3.56Å; V738-W846 HydrophobicContact CG1-CZ2 3.85Å; V738-W846 HydrophobicContact CG1-CZ3 4.14Å; A789-W846 HydrophobicContact CB-CH2 3.8Å; A789-W846 HydrophobicContact CB-CZ3 4.4Å; A789-W846 VanDerWaalsContact O-CH2 3.22Å; A789-W846 WeakPolarHBondContact O-CH2 3.24Å; A789-W846 WeakPolarHBondContact O-CZ2 3.36Å; P791-W846 VanDerWaalsContact CD-CZ2 3.5Å; P791-W846 HydrophobicContact CG-CD2 4.26Å; P791-W846 HydrophobicContact CG-CH2 4.17Å; P791-W846 HydrophobicContact CG-CZ2 3.64Å; I814-W846 HydrophobicContact CD1-CE3 4.05Å; I814-W846 HydrophobicContact CD1-CH2 3.53Å; I814-W846 HydrophobicContact CD1-CZ2 4.47Å; I814-W846 HydrophobicContact CD1-CZ3 3.28Å; E843-W846 VanDerWaalsContact O-CD1 3.29Å; E843-W846 PolarHBondContact O-NE1 3.15Å; W846-L851 HydrophobicContact CE3-CD2 3.71Å; W846-L851 HydrophobicContact CE3-CG 4.33Å; W846-L851 HydrophobicContact CZ3-CD2 3.79Å; W846-L854 HydrophobicContact CZ3-CD1 4.31Å; W846-C873 HydrophobicContact CB-CB 3.88Å; W846-C873 HydrophobicContact CG-CB 4.39Å; W846-L876 HydrophobicContact CB-CD2 4.27Å; W846-L876 VanDerWaalsContact O-CD2 3.29Å; W846-L876 WeakPolarHBondContact O-CD2 3.49Å; W846-L877 HydrophobicContact CB-CD2 4.42Å; W846-L877 HydrophobicContact CD2-CD2 3.81Å; W846-L877 HydrophobicContact CE3-CD2 3.79Å; W846-L877 HydrophobicContact CG-CD2 4.09Å; W846-L877 HydrophobicContact CZ3-CD2 4.31Å
847N93.1Very high88.9Confident50 Ų5063.8 Ų63.827%0.26734%0.343SS..  trans-144.7160.8-179.362.471.8000110.7Q845 Q849 W850 L851 L876Q845-N847 PolarHBondContact O-N 3.15Å; Q845-N847 PolarHBondContact O-ND2 3.09Å; N847-Q849 PolarHBondContact O-N 2.95Å; N847-Q849 WeakPolarHBondContact OD1-CB 3.22Å; N847-Q849 PolarHBondContact OD1-N 3.06Å; N847-Q849 VanDerWaalsContact OD1-N 3.13Å; N847-W850 VanDerWaalsContact ND2-CD2 3.28Å; N847-W850 PolarHBondContact ND2-NE1 3.25Å; N847-W850 PolarHBondContact O-N 2.95Å; N847-W850 VanDerWaalsContact O-N 3.13Å; N847-W850 PolarHBondContact OD1-N 2.83Å; N847-L851 PolarHBondContact O-N 2.99Å; N847-L876 VanDerWaalsContact CA-CD2 3.48Å
848R92.8Very high88.4Confident141 Ų14164.5 Ų64.553%0.53235%0.354SS..Hα-helixtrans-58.7-29.7-177.3-70.7-170.8-174.7-84-3.3113.8A852 L876 E879R848-A852 VanDerWaalsContact O-CB 3.28Å; R848-A852 WeakPolarHBondContact O-CB 3.37Å; R848-A852 PolarHBondContact O-N 3.01Å; R848-L876 HydrophobicContact CG-CD1 3.63Å; R848-E879 IonicContact CZ-OE2 2.7Å; R848-E879 IonicContact NH1-OE2 2.84Å; R848-E879 IonicContact NH2-OE2 3.69Å; R848-E879 PolarHBondContact NH2-OE2 2.8Å
849Q91.1Very high87.9Confident139 Ų13962 Ų6265%0.6534%0.342SS*.Hα-helixtrans-70.5-34.7179.8-63-177.84.900112.1N847 R853N847-Q849 PolarHBondContact O-N 2.95Å; N847-Q849 WeakPolarHBondContact OD1-CB 3.22Å; N847-Q849 PolarHBondContact OD1-N 3.06Å; N847-Q849 VanDerWaalsContact OD1-N 3.13Å; Q849-R853 WeakPolarHBondContact O-CG 3.12Å
850W92.9Very high87.8Confident9 Ų957 Ų573%0.03432%0.32CS..Hα-helixtrans-69.9-45.7174.5-65.4-2.5000110.9P791 I814 N816 Q845 N847 A852 R853P791-W850 HydrophobicContact CB-CE3 4.26Å; P791-W850 HydrophobicContact CB-CH2 4.13Å; P791-W850 HydrophobicContact CB-CZ3 3.57Å; P791-W850 HydrophobicContact CG-CE3 4.08Å; P791-W850 HydrophobicContact CG-CZ3 3.74Å; I814-W850 HydrophobicContact CD1-CB 4.08Å; I814-W850 HydrophobicContact CD1-CE3 4.37Å; I814-W850 HydrophobicContact CG1-CB 4.36Å; I814-W850 HydrophobicContact CG2-CB 4.29Å; I814-W850 HydrophobicContact CG2-CD2 3.35Å; I814-W850 HydrophobicContact CG2-CE3 3.42Å; I814-W850 VanDerWaalsContact CG2-CE3 3.42Å; I814-W850 HydrophobicContact CG2-CG 3.78Å; I814-W850 HydrophobicContact CG2-CH2 4.33Å; I814-W850 HydrophobicContact CG2-CZ2 4.3Å; I814-W850 HydrophobicContact CG2-CZ3 3.91Å; N816-W850 HydrophobicContact CB-CH2 4.14Å; N816-W850 HydrophobicContact CB-CZ2 3.58Å; N816-W850 VanDerWaalsContact CG-CZ2 3.45Å; Q845-W850 HydrophobicContact CB-CH2 4.36Å; Q845-W850 WeakPolarHBondContact O-CZ3 3.33Å; N847-W850 VanDerWaalsContact ND2-CD2 3.28Å; N847-W850 PolarHBondContact ND2-NE1 3.25Å; N847-W850 PolarHBondContact O-N 2.95Å; N847-W850 VanDerWaalsContact O-N 3.13Å; N847-W850 PolarHBondContact OD1-N 2.83Å; W850-A852 VanDerWaalsContact C-N 3.32Å; W850-A852 PolarHBondContact O-N 2.68Å; W850-R853 WeakPolarHBondContact O-CB 3.25Å; W850-R853 PolarHBondContact O-N 3.06Å
851L92Very high88Confident5 Ų553.3 Ų53.33%0.02629%0.293CS..Hα-helixtrans-62-39.3179-64.3170.5000112.1W846 N847 R853 L854 L876 L877 W880W846-L851 HydrophobicContact CE3-CD2 3.71Å; W846-L851 HydrophobicContact CE3-CG 4.33Å; W846-L851 HydrophobicContact CZ3-CD2 3.79Å; N847-L851 PolarHBondContact O-N 2.99Å; L851-R853 PolarHBondContact O-N 3.49Å; L851-R853 VanDerWaalsContact O-N 3.14Å; L851-L854 HydrophobicContact CD2-CD1 4.08Å; L851-L854 WeakPolarHBondContact O-CB 3.19Å; L851-L854 PolarHBondContact O-N 3.36Å; L851-L876 HydrophobicContact CD1-CD1 4.12Å; L851-L876 HydrophobicContact CD1-CD2 3.91Å; L851-L876 HydrophobicContact CD1-CG 3.69Å; L851-L877 HydrophobicContact CD2-CD2 3.98Å; L851-W880 HydrophobicContact CB-CD2 4.47Å; L851-W880 HydrophobicContact CB-CG 4.14Å; L851-W880 HydrophobicContact CD1-CB 3.89Å; L851-W880 HydrophobicContact CD1-CG 4.08Å; L851-W880 HydrophobicContact CD2-CD2 3.79Å; L851-W880 HydrophobicContact CD2-CE3 3.96Å; L851-W880 HydrophobicContact CD2-CG 4.08Å; L851-W880 HydrophobicContact CD2-CZ3 4.45Å; L851-W880 HydrophobicContact CG-CG 4.32Å
852A88.1Confident88.2Confident91 Ų9152.8 Ų52.875%0.75229%0.288SS*.THydrogen-bonded Turntrans-65.6-13.817600000114.5R848 W850R848-A852 VanDerWaalsContact O-CB 3.28Å; R848-A852 WeakPolarHBondContact O-CB 3.37Å; R848-A852 PolarHBondContact O-N 3.01Å; W850-A852 VanDerWaalsContact C-N 3.32Å; W850-A852 PolarHBondContact O-N 2.68Å
853R85.8Confident88.3Confident154 Ų15452.8 Ų52.858%0.58129%0.288SS*.THydrogen-bonded Turntrans-88.5-13.6174-65.1169.2-170.9-1763.1112.5Q849 W850 L851 T855Q849-R853 WeakPolarHBondContact O-CG 3.12Å; W850-R853 WeakPolarHBondContact O-CB 3.25Å; W850-R853 PolarHBondContact O-N 3.06Å; L851-R853 PolarHBondContact O-N 3.49Å; L851-R853 VanDerWaalsContact O-N 3.14Å; R853-T855 PolarHBondContact O-N 3.37Å
854L87.4Confident88.6Confident15 Ų1552.6 Ų52.68%0.07929%0.287CS..  trans-84.4112.7-179.2-57-179.1000109.4M736 A789 L813 I814 W846 L851 W880M736-L854 HydrophobicContact CE-CB 4.25Å; M736-L854 HydrophobicContact SD-CB 4.15Å; M736-L854 HydrophobicContact SD-CD1 4.13Å; A789-L854 HydrophobicContact CB-CD1 3.85Å; A789-L854 HydrophobicContact CB-CD2 3.96Å; L813-L854 HydrophobicContact CB-CD2 3.9Å; L813-L854 HydrophobicContact CD1-CD2 3.94Å; I814-L854 HydrophobicContact CD1-CD2 4.43Å; I814-L854 HydrophobicContact CG1-CD2 4.35Å; W846-L854 HydrophobicContact CZ3-CD1 4.31Å; L851-L854 HydrophobicContact CD2-CD1 4.08Å; L851-L854 WeakPolarHBondContact O-CB 3.19Å; L851-L854 PolarHBondContact O-N 3.36Å; L854-W880 HydrophobicContact CB-CZ2 3.99Å; L854-W880 HydrophobicContact CD1-CH2 3.96Å; L854-W880 HydrophobicContact CD1-CZ2 3.99Å
855T77.5Confident88.6Confident132 Ų13251 Ų5181%0.8128%0.279SS*.  trans-88.6112.4172.2-51.80000108.9R853R853-T855 PolarHBondContact O-N 3.37Å
856V83.1Confident88.5Confident29 Ų2946.3 Ų46.318%0.17626%0.257CS..  trans-107.6123.8176.4-174.90000108.7M736 L862 W880 L884 V887M736-V856 HydrophobicContact CE-CG2 4.03Å; M736-V856 HydrophobicContact SD-CG2 3.81Å; V856-L862 HydrophobicContact CG1-CD1 4.27Å; V856-L862 HydrophobicContact CG1-CD2 4.16Å; V856-L862 HydrophobicContact CG1-CG 4.45Å; V856-L862 HydrophobicContact CG2-CD2 4.26Å; V856-W880 HydrophobicContact CG2-CH2 3.87Å; V856-W880 HydrophobicContact CG2-CZ2 3.68Å; V856-L884 HydrophobicContact CB-CD1 4.4Å; V856-L884 HydrophobicContact CB-CD2 4.24Å; V856-L884 HydrophobicContact CG1-CD1 4.32Å; V856-L884 HydrophobicContact CG2-CD1 4.2Å; V856-L884 HydrophobicContact CG2-CD2 4.44Å; V856-V887 HydrophobicContact CG1-CG1 3.85Å
857A75.7Confident88.3Confident44 Ų4450.4 Ų50.436%0.36427%0.273SS..  trans-83.3151.7177.700000110.8P734 S860P734-A857 HydrophobicContact CG-CB 4.22Å; A857-S860 PolarHBondContact N-OG 3.04Å; A857-S860 VanDerWaalsContact O-CB 3.27Å; A857-S860 WeakPolarHBondContact O-CB 3.28Å; A857-S860 PolarHBondContact O-N 2.95Å; A857-S860 PolarHBondContact O-OG 3.07Å
858P74.9Confident88.3Confident95 Ų9548.5 Ų48.562%0.61726%0.263SS*.THydrogen-bonded Turntrans-53.3144.3165.2-24.435.2000111.2S860 D886P858-S860 VanDerWaalsContact C-N 3.34Å; P858-D886 HydrophobicContact CB-CB 4.19Å
859G78Confident88.4Confident32 Ų3241.9 Ų41.933%0.3324%0.238SC..THydrogen-bonded Turntrans80.53-173.300000115.3D886G859-D886 WeakPolarHBondContact CA-O 3.47Å; G859-D886 PolarHBondContact N-O 2.87Å; G859-D886 PolarHBondContact N-OD2 3.02Å
860S87.9Confident88.4Confident4 Ų436.7 Ų36.73%0.02822%0.218CC..  trans-70.3141.4-175.6-62.40000113.4P734 A857 P858 T888P734-S860 CarbonylContact O-C 3.27Å; P734-S860 WeakPolarHBondContact O-CA 3.44Å; P734-S860 WeakPolarHBondContact O-CB 3.48Å; A857-S860 PolarHBondContact N-OG 3.04Å; A857-S860 VanDerWaalsContact O-CB 3.27Å; A857-S860 WeakPolarHBondContact O-CB 3.28Å; A857-S860 PolarHBondContact O-N 2.95Å; A857-S860 PolarHBondContact O-OG 3.07Å; P858-S860 VanDerWaalsContact C-N 3.34Å; S860-T888 PolarHBondContact O-N 3.36Å
861L93.5Very high88.3Confident13 Ų1337.1 Ų37.17%0.06822%0.223CC..EExtended strand (participates in β ladder)trans-87.5120.3165.6-61.3176.8000109.3A733 P734 V735 M736 T888 L992 L995 A996A733-L861 HydrophobicContact CB-CG 4.42Å; P734-L861 PolarHBondContact O-N 3.5Å; V735-L861 WeakPolarHBondContact CA-O 3.4Å; V735-L861 HydrophobicContact CG2-CB 4.31Å; V735-L861 HydrophobicContact CG2-CD1 4.29Å; M736-L861 PolarHBondContact N-O 3.4Å; L861-T888 WeakPolarHBondContact CA-O 3.44Å; L861-T888 HydrophobicContact CD2-CG2 4.15Å; L861-L992 HydrophobicContact CB-CD2 4.14Å; L861-L992 HydrophobicContact CD1-CD2 4.37Å; L861-L995 HydrophobicContact CD1-CB 3.51Å; L861-A996 HydrophobicContact CD1-CB 4.2Å
862L95.9Very high88.2Confident0 Ų043.3 Ų43.30%026%0.263CS..EExtended strand (participates in β ladder)trans-112.2107.5-178.1-71165000111M736 V856 F864 W880 L881 L884 V887 T888 P889 F890M736-L862 HydrophobicContact CB-CD2 3.73Å; M736-L862 HydrophobicContact CG-CD2 3.99Å; M736-L862 WeakPolarHBondContact O-CA 3.33Å; M736-L862 HydrophobicContact SD-CD2 4.16Å; V856-L862 HydrophobicContact CG1-CD1 4.27Å; V856-L862 HydrophobicContact CG1-CD2 4.16Å; V856-L862 HydrophobicContact CG1-CG 4.45Å; V856-L862 HydrophobicContact CG2-CD2 4.26Å; L862-F864 HydrophobicContact CB-CD2 4.34Å; L862-F864 HydrophobicContact CB-CE2 3.73Å; L862-W880 HydrophobicContact CD2-CH2 4.37Å; L862-L881 HydrophobicContact CD1-CD1 3.91Å; L862-L884 HydrophobicContact CD1-CD1 3.53Å; L862-V887 HydrophobicContact CD1-CB 3.78Å; L862-V887 HydrophobicContact CD1-CG1 4.02Å; L862-V887 HydrophobicContact CD1-CG2 3.86Å; L862-T888 PolarHBondContact N-O 3.3Å; L862-P889 CarbonylContact O-C 3.57Å; L862-P889 WeakPolarHBondContact O-CA 3.48Å; L862-F890 PolarHBondContact O-N 3.34Å
863Y97.4Very high88.4Confident0 Ų039.4 Ų39.40%023%0.231CC..EExtended strand (participates in β ladder)trans-78.6132.1172.8171.6-93.7000111.2M736 V737 V738 C771 A772 I775 F890 D892 L992M736-Y863 PolarHBondContact O-N 3.5Å; V737-Y863 HydrophobicContact CG1-CD1 3.75Å; V737-Y863 HydrophobicContact CG1-CE1 4.47Å; V738-Y863 WeakPolarHBondContact CA-O 3.46Å; V738-Y863 WeakPolarHBondContact CB-O 3.3Å; V738-Y863 PolarHBondContact N-O 3.04Å; C771-Y863 WeakPolarHBondContact CB-OH 3.41Å; A772-Y863 HydrophobicContact CB-CD1 4.33Å; A772-Y863 HydrophobicContact CB-CE1 3.82Å; I775-Y863 HydrophobicContact CD1-CD1 4.14Å; I775-Y863 HydrophobicContact CD1-CD2 3.61Å; I775-Y863 HydrophobicContact CD1-CE1 3.69Å; I775-Y863 HydrophobicContact CD1-CE2 3.12Å; I775-Y863 HydrophobicContact CD1-CG 4.09Å; I775-Y863 WeakPolarHBondContact CD1-OH 3.33Å; Y863-F890 CarbonylContact C-O 3.56Å; Y863-F890 VanDerWaalsContact CA-O 3.32Å; Y863-F890 WeakPolarHBondContact CA-O 3.4Å; Y863-F890 AromaticContact CD2-CD1 3.82Å; Y863-F890 HydrophobicContact CD2-CD1 3.82Å; Y863-F890 HydrophobicContact CD2-CE1 4.42Å; Y863-F890 HydrophobicContact CE2-CD1 4.32Å; Y863-D892 HydrophobicContact CE2-CB 4.12Å; Y863-L992 HydrophobicContact CD2-CD1 4.03Å; Y863-L992 HydrophobicContact CG-CD1 4.22Å
864F96.2Very high88.8Confident2 Ų232.1 Ų32.11%0.00920%0.203CC..EExtended strand (participates in β ladder)trans-124.7136.4167.7-66.9-95.1000111.3V738 L862 L869 L877 W880 L881 F890 I891 D892V738-F864 HydrophobicContact CB-CD1 3.9Å; V738-F864 HydrophobicContact CB-CE1 3.9Å; V738-F864 HydrophobicContact CB-CG 4.48Å; V738-F864 HydrophobicContact CB-CZ 4.46Å; V738-F864 HydrophobicContact CG1-CD1 3.88Å; V738-F864 HydrophobicContact CG1-CE1 3.72Å; V738-F864 HydrophobicContact CG2-CE1 4.2Å; V738-F864 HydrophobicContact CG2-CZ 4.33Å; L862-F864 HydrophobicContact CB-CD2 4.34Å; L862-F864 HydrophobicContact CB-CE2 3.73Å; F864-L869 HydrophobicContact CB-CD1 4.08Å; F864-L869 HydrophobicContact CB-CD2 4.49Å; F864-L869 HydrophobicContact CB-CG 4.34Å; F864-L869 HydrophobicContact CD1-CD2 4.27Å; F864-L877 HydrophobicContact CE1-CB 4.37Å; F864-W880 HydrophobicContact CE1-CE3 4.49Å; F864-W880 HydrophobicContact CE1-CZ3 4.27Å; F864-W880 HydrophobicContact CZ-CE3 4.22Å; F864-W880 AromaticContact CZ-CZ3 3.87Å; F864-W880 HydrophobicContact CZ-CZ3 3.87Å; F864-L881 HydrophobicContact CE2-CD1 4.02Å; F864-L881 HydrophobicContact CE2-CD2 4.14Å; F864-L881 HydrophobicContact CZ-CB 4.37Å; F864-L881 HydrophobicContact CZ-CD1 4.24Å; F864-L881 HydrophobicContact CZ-CD2 4.45Å; F864-F890 PolarHBondContact N-O 3.02Å; F864-I891 HydrophobicContact CB-CG1 4.31Å; F864-D892 PolarHBondContact O-N 3.37Å
865S91.4Very high89.1Confident3 Ų335.4 Ų35.42%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-86135.8169.8-178.20000111.4Y867 Q868 L869S865-Y867 PolarHBondContact O-N 2.88Å; S865-Y867 PolarHBondContact OG-N 3.31Å; S865-Q868 PolarHBondContact O-N 3.25Å; S865-L869 PolarHBondContact O-N 2.83Å
866G91.3Very high90Very high0 Ų030.5 Ų30.50%019%0.187CC..Hα-helixtrans-58.9-25.8174.300000114.2Q868 L869 A870 D892 F893G866-Q868 VanDerWaalsContact C-N 3.32Å; G866-Q868 PolarHBondContact O-N 3.31Å; G866-L869 PolarHBondContact O-N 2.69Å; G866-A870 VanDerWaalsContact O-CB 3.3Å; G866-A870 WeakPolarHBondContact O-CB 3.41Å; G866-A870 PolarHBondContact O-N 2.74Å; G866-D892 PolarHBondContact N-O 3.42Å; G866-F893 WeakPolarHBondContact CA-O 3.33Å
867Y89.3Confident90.7Very high101 Ų10129.1 Ų29.140%0.39618%0.178SC..Hα-helixtrans-62.4-38.4173.9-71-81.1000112.4S865 S871 R896S865-Y867 PolarHBondContact O-N 2.88Å; S865-Y867 PolarHBondContact OG-N 3.31Å; Y867-S871 WeakPolarHBondContact O-CB 3.35Å; Y867-S871 PolarHBondContact O-N 3.04Å; Y867-R896 HydrophobicContact CD1-CG 3.69Å; Y867-R896 HydrophobicContact CE1-CG 3.81Å; Y867-R896 HydrophobicContact CG-CG 4.24Å
868Q92.9Very high91.7Very high9 Ų927 Ų274%0.04216%0.161CC..Hα-helixtrans-77.3-35.2176.8-83.662.868.700111.7N844 S865 G866 A870 S871 G874 L877N844-Q868 PolarHBondContact OD1-NE2 2.95Å; N844-Q868 VanDerWaalsContact OD1-NE2 3.16Å; S865-Q868 PolarHBondContact O-N 3.25Å; G866-Q868 VanDerWaalsContact C-N 3.32Å; G866-Q868 PolarHBondContact O-N 3.31Å; Q868-A870 VanDerWaalsContact C-N 3.35Å; Q868-S871 PolarHBondContact O-N 3.27Å; Q868-S871 PolarHBondContact O-OG 2.58Å; Q868-S871 VanDerWaalsContact O-OG 3.12Å; Q868-G874 WeakPolarHBondContact O-CA 3.28Å; Q868-G874 PolarHBondContact O-N 3.38Å; Q868-L877 HydrophobicContact CB-CD1 3.85Å
869L93.8Very high92.7Very high3 Ų325.1 Ų25.12%0.01614%0.144CC..Hα-helixtrans-70.4-29.9177.6-63.6177.2000113.1F864 S865 G866 L877 V878 I891 F893 I900 I908F864-L869 HydrophobicContact CB-CD1 4.08Å; F864-L869 HydrophobicContact CB-CD2 4.49Å; F864-L869 HydrophobicContact CB-CG 4.34Å; F864-L869 HydrophobicContact CD1-CD2 4.27Å; S865-L869 PolarHBondContact O-N 2.83Å; G866-L869 PolarHBondContact O-N 2.69Å; L869-L877 HydrophobicContact CD2-CB 4.49Å; L869-V878 HydrophobicContact CD2-CG2 4.04Å; L869-I891 HydrophobicContact CD1-CD1 4Å; L869-I891 HydrophobicContact CD1-CG2 3.69Å; L869-F893 HydrophobicContact CD1-CE1 4.3Å; L869-I900 HydrophobicContact CB-CD1 4.12Å; L869-I908 HydrophobicContact CB-CD1 4.34Å; L869-I908 HydrophobicContact CD1-CD1 4.21Å; L869-I908 HydrophobicContact CD2-CD1 4.45Å
870A92.2Very high93.6Very high29 Ų2924.6 Ų24.624%0.2413%0.132CC..SBendtrans-85.1-12.8175.500000113.6G866 Q868 R896 D899 I900G866-A870 VanDerWaalsContact O-CB 3.3Å; G866-A870 WeakPolarHBondContact O-CB 3.41Å; G866-A870 PolarHBondContact O-N 2.74Å; Q868-A870 VanDerWaalsContact C-N 3.35Å; A870-R896 HydrophobicContact CB-CB 3.85Å; A870-R896 HydrophobicContact CB-CG 4.46Å; A870-D899 HydrophobicContact CB-CB 4.23Å; A870-I900 HydrophobicContact CB-CG1 3.82Å
871S90.4Very high93.9Very high19 Ų1924.9 Ų24.913%0.13313%0.133CC..SBendtrans-81.9169.317990.10000111.3Y867 Q868 C873 G874Y867-S871 WeakPolarHBondContact O-CB 3.35Å; Y867-S871 PolarHBondContact O-N 3.04Å; Q868-S871 PolarHBondContact O-N 3.27Å; Q868-S871 PolarHBondContact O-OG 2.58Å; Q868-S871 VanDerWaalsContact O-OG 3.12Å; S871-C873 PolarHBondContact O-N 2.93Å; S871-C873 PolarHBondContact OG-N 3.42Å; S871-C873 PolarHBondContact OG-SG 3.44Å; S871-G874 PolarHBondContact O-N 3.28Å
872P89Confident94.1Very high134 Ų13428.5 Ų28.587%0.8715%0.15SC*.THydrogen-bonded Turntrans-56.5-21.3178-2736.2000114.8G874P872-G874 VanDerWaalsContact C-N 3.34Å
873C92Very high93.9Very high10 Ų1034.7 Ų34.77%0.06818%0.179CC..THydrogen-bonded Turntrans-83.4-7.217671.30000114.3W846 S871 E875 L876 L877W846-C873 HydrophobicContact CB-CB 3.88Å; W846-C873 HydrophobicContact CG-CB 4.39Å; S871-C873 PolarHBondContact O-N 2.93Å; S871-C873 PolarHBondContact OG-N 3.42Å; S871-C873 PolarHBondContact OG-SG 3.44Å; C873-E875 VanDerWaalsContact C-N 3.28Å; C873-E875 PolarHBondContact O-N 3.29Å; C873-L876 WeakPolarHBondContact O-CB 3.34Å; C873-L876 PolarHBondContact O-N 3.17Å; C873-L876 VanDerWaalsContact O-N 3.11Å; C873-L877 PolarHBondContact O-N 3.37Å; C873-L877 VanDerWaalsContact O-N 3.08Å
874G94.2Very high93.7Very high0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-56.3-41-17900000113Q868 S871 P872 L876 L877 V878Q868-G874 WeakPolarHBondContact O-CA 3.28Å; Q868-G874 PolarHBondContact O-N 3.38Å; S871-G874 PolarHBondContact O-N 3.28Å; P872-G874 VanDerWaalsContact C-N 3.34Å; G874-L876 VanDerWaalsContact C-N 3.33Å; G874-L876 PolarHBondContact O-N 3.1Å; G874-L877 PolarHBondContact O-N 3.02Å; G874-V878 WeakPolarHBondContact O-CG2 3.2Å; G874-V878 PolarHBondContact O-N 2.9Å
875E95.5Very high93.1Very high85 Ų8544.5 Ų44.540%0.39723%0.226SC..Hα-helixtrans-55.7-47.1175.8-172.367.3-160.400111.8C873 V878 E879 L904 R907C873-E875 VanDerWaalsContact C-N 3.28Å; C873-E875 PolarHBondContact O-N 3.29Å; E875-V878 PolarHBondContact O-N 3.41Å; E875-E879 WeakPolarHBondContact O-CG 3.44Å; E875-E879 PolarHBondContact O-N 3.24Å; E875-L904 WeakPolarHBondContact OE2-CD1 3.43Å; E875-R907 VanDerWaalsContact CD-NH1 3.29Å; E875-R907 IonicContact OE1-CZ 2.95Å; E875-R907 IonicContact OE1-NH1 3.06Å; E875-R907 PolarHBondContact OE1-NH1 3.03Å; E875-R907 IonicContact OE2-NH1 2.83Å
876L96.4Very high92.9Very high28 Ų2850.1 Ų50.115%0.14726%0.256CS..Hα-helixtrans-66.4-39.8179.6175.869.2000112.1W846 N847 R848 L851 C873 G874 W880W846-L876 HydrophobicContact CB-CD2 4.27Å; W846-L876 VanDerWaalsContact O-CD2 3.29Å; W846-L876 WeakPolarHBondContact O-CD2 3.49Å; N847-L876 VanDerWaalsContact CA-CD2 3.48Å; R848-L876 HydrophobicContact CG-CD1 3.63Å; L851-L876 HydrophobicContact CD1-CD1 4.12Å; L851-L876 HydrophobicContact CD1-CD2 3.91Å; L851-L876 HydrophobicContact CD1-CG 3.69Å; C873-L876 WeakPolarHBondContact O-CB 3.34Å; C873-L876 PolarHBondContact O-N 3.17Å; C873-L876 VanDerWaalsContact O-N 3.11Å; G874-L876 VanDerWaalsContact C-N 3.33Å; G874-L876 PolarHBondContact O-N 3.1Å; L876-W880 PolarHBondContact O-N 3.21Å; L876-W880 VanDerWaalsContact O-N 3.07Å
877L96.3Very high92.9Very high0 Ų051.5 Ų51.50%026%0.264CS..Hα-helixtrans-67-38179.1-69.2176.1000111.8V738 W846 L851 F864 Q868 L869 C873 G874 W880 L881V738-L877 HydrophobicContact CG1-CD2 4.16Å; W846-L877 HydrophobicContact CB-CD2 4.42Å; W846-L877 HydrophobicContact CD2-CD2 3.81Å; W846-L877 HydrophobicContact CE3-CD2 3.79Å; W846-L877 HydrophobicContact CG-CD2 4.09Å; W846-L877 HydrophobicContact CZ3-CD2 4.31Å; L851-L877 HydrophobicContact CD2-CD2 3.98Å; F864-L877 HydrophobicContact CE1-CB 4.37Å; Q868-L877 HydrophobicContact CB-CD1 3.85Å; L869-L877 HydrophobicContact CD2-CB 4.49Å; C873-L877 PolarHBondContact O-N 3.37Å; C873-L877 VanDerWaalsContact O-N 3.08Å; G874-L877 PolarHBondContact O-N 3.02Å; L877-W880 PolarHBondContact O-N 3.03Å; L877-L881 WeakPolarHBondContact O-CB 3.4Å; L877-L881 PolarHBondContact O-N 2.88Å
878V96.9Very high93.1Very high1 Ų150 Ų501%0.00627%0.265CS..Hα-helixtrans-72.5-41.1177.9175.90000111.3L869 G874 E875 W880 L881 E882 L904 R907 I908L869-V878 HydrophobicContact CD2-CG2 4.04Å; G874-V878 WeakPolarHBondContact O-CG2 3.2Å; G874-V878 PolarHBondContact O-N 2.9Å; E875-V878 PolarHBondContact O-N 3.41Å; V878-W880 VanDerWaalsContact C-N 3.27Å; V878-W880 PolarHBondContact O-N 2.96Å; V878-L881 PolarHBondContact O-N 3.27Å; V878-L881 VanDerWaalsContact O-N 3.17Å; V878-E882 HydrophobicContact CG1-CG 4.45Å; V878-E882 WeakPolarHBondContact O-CG 3.43Å; V878-E882 PolarHBondContact O-N 3.45Å; V878-L904 HydrophobicContact CB-CD1 3.7Å; V878-L904 HydrophobicContact CG1-CD1 3.96Å; V878-L904 HydrophobicContact CG2-CD1 3.62Å; V878-L904 HydrophobicContact CG2-CG 4.34Å; V878-R907 HydrophobicContact CG1-CB 3.98Å; V878-I908 HydrophobicContact CG1-CG1 4.25Å; V878-I908 HydrophobicContact CG2-CD1 3.93Å; V878-I908 HydrophobicContact CG2-CG1 3.44Å; V878-I908 VanDerWaalsContact CG2-CG1 3.44Å
879E96.3Very high93.3Very high55 Ų5549.7 Ų49.726%0.25726%0.264SS..Hα-helixtrans-55.9-44.2171.1-76.9-179.8-178.200111.6R848 E875 E882 E883 R907R848-E879 IonicContact CZ-OE2 2.7Å; R848-E879 IonicContact NH1-OE2 2.84Å; R848-E879 IonicContact NH2-OE2 3.69Å; R848-E879 PolarHBondContact NH2-OE2 2.8Å; E875-E879 WeakPolarHBondContact O-CG 3.44Å; E875-E879 PolarHBondContact O-N 3.24Å; E879-E882 PolarHBondContact O-N 2.95Å; E879-E883 WeakPolarHBondContact O-CG 3.44Å; E879-E883 PolarHBondContact O-N 3.03Å; E879-R907 VanDerWaalsContact CG-NH2 3.32Å
880W96.1Very high93.5Very high21 Ų2149.7 Ų49.78%0.0826%0.264CS..Hα-helixtrans-65.3-40.5176.6175.567.9000112.5M736 V738 L851 L854 V856 L862 F864 L876 L877 V878 E882 E883 L884M736-W880 HydrophobicContact SD-CH2 4.16Å; V738-W880 HydrophobicContact CG2-CH2 4.43Å; V738-W880 HydrophobicContact CG2-CZ3 4.14Å; L851-W880 HydrophobicContact CB-CD2 4.47Å; L851-W880 HydrophobicContact CB-CG 4.14Å; L851-W880 HydrophobicContact CD1-CB 3.89Å; L851-W880 HydrophobicContact CD1-CG 4.08Å; L851-W880 HydrophobicContact CD2-CD2 3.79Å; L851-W880 HydrophobicContact CD2-CE3 3.96Å; L851-W880 HydrophobicContact CD2-CG 4.08Å; L851-W880 HydrophobicContact CD2-CZ3 4.45Å; L851-W880 HydrophobicContact CG-CG 4.32Å; L854-W880 HydrophobicContact CB-CZ2 3.99Å; L854-W880 HydrophobicContact CD1-CH2 3.96Å; L854-W880 HydrophobicContact CD1-CZ2 3.99Å; V856-W880 HydrophobicContact CG2-CH2 3.87Å; V856-W880 HydrophobicContact CG2-CZ2 3.68Å; L862-W880 HydrophobicContact CD2-CH2 4.37Å; F864-W880 HydrophobicContact CE1-CE3 4.49Å; F864-W880 HydrophobicContact CE1-CZ3 4.27Å; F864-W880 HydrophobicContact CZ-CE3 4.22Å; F864-W880 AromaticContact CZ-CZ3 3.87Å; F864-W880 HydrophobicContact CZ-CZ3 3.87Å; L876-W880 PolarHBondContact O-N 3.21Å; L876-W880 VanDerWaalsContact O-N 3.07Å; L877-W880 PolarHBondContact O-N 3.03Å; V878-W880 VanDerWaalsContact C-N 3.27Å; V878-W880 PolarHBondContact O-N 2.96Å; W880-E882 VanDerWaalsContact C-N 3.33Å; W880-E882 PolarHBondContact O-N 3.36Å; W880-E883 WeakPolarHBondContact O-CB 3.38Å; W880-E883 PolarHBondContact O-N 3.39Å; W880-L884 HydrophobicContact CD2-CD1 4.38Å; W880-L884 HydrophobicContact CE3-CD1 4.4Å; W880-L884 HydrophobicContact CH2-CD1 4.04Å; W880-L884 HydrophobicContact CZ2-CD1 3.99Å; W880-L884 HydrophobicContact CZ3-CD1 4.24Å; W880-L884 WeakPolarHBondContact O-CG 3.34Å
881L95.9Very high93.7Very high9 Ų948.4 Ų48.45%0.04725%0.253CS..Hα-helixtrans-61.8-40.2175.9179.460.6000112.2L862 F864 L877 V878 E883 L884 V887 P889 C911L862-L881 HydrophobicContact CD1-CD1 3.91Å; F864-L881 HydrophobicContact CE2-CD1 4.02Å; F864-L881 HydrophobicContact CE2-CD2 4.14Å; F864-L881 HydrophobicContact CZ-CB 4.37Å; F864-L881 HydrophobicContact CZ-CD1 4.24Å; F864-L881 HydrophobicContact CZ-CD2 4.45Å; L877-L881 WeakPolarHBondContact O-CB 3.4Å; L877-L881 PolarHBondContact O-N 2.88Å; V878-L881 PolarHBondContact O-N 3.27Å; V878-L881 VanDerWaalsContact O-N 3.17Å; L881-E883 PolarHBondContact O-N 3.49Å; L881-L884 HydrophobicContact CD1-CD1 4.42Å; L881-L884 PolarHBondContact O-N 3.5Å; L881-L884 VanDerWaalsContact O-N 3.17Å; L881-V887 HydrophobicContact CD1-CG2 4.08Å; L881-P889 HydrophobicContact CD1-CB 4.41Å; L881-P889 HydrophobicContact CD1-CG 4.17Å; L881-P889 HydrophobicContact CD2-CB 4.04Å; L881-P889 HydrophobicContact CD2-CG 3.98Å; L881-C911 HydrophobicContact CD2-CB 4.16Å
882E96.2Very high93.8Very high89 Ų8948 Ų4842%0.41625%0.249SC..Hα-helixtrans-65.5-23.8177.8-71.6170.1156.600113.1V878 E879 W880 R907V878-E882 HydrophobicContact CG1-CG 4.45Å; V878-E882 WeakPolarHBondContact O-CG 3.43Å; V878-E882 PolarHBondContact O-N 3.45Å; E879-E882 PolarHBondContact O-N 2.95Å; W880-E882 VanDerWaalsContact C-N 3.33Å; W880-E882 PolarHBondContact O-N 3.36Å; E882-R907 WeakPolarHBondContact OE1-CB 3.46Å; E882-R907 IonicContact OE1-CZ 2.73Å; E882-R907 IonicContact OE1-NE 3.99Å; E882-R907 PolarHBondContact OE1-NE 2.76Å; E882-R907 IonicContact OE1-NH2 3Å; E882-R907 IonicContact OE2-CZ 3.53Å; E882-R907 IonicContact OE2-NE 3.02Å; E882-R907 PolarHBondContact OE2-NE 3.23Å; E882-R907 IonicContact OE2-NH2 3.6Å; E882-R907 PolarHBondContact OE2-NH2 3.38Å
883E93.5Very high93.9Very high130 Ų13041.6 Ų41.661%0.60721%0.208SC*.Hα-helixtrans-78.6-18.9175.7-69.6172.9-175.200112.9E879 W880 L881E879-E883 WeakPolarHBondContact O-CG 3.44Å; E879-E883 PolarHBondContact O-N 3.03Å; W880-E883 WeakPolarHBondContact O-CB 3.38Å; W880-E883 PolarHBondContact O-N 3.39Å; L881-E883 PolarHBondContact O-N 3.49Å
884L92.1Very high93.6Very high41 Ų4141.4 Ų41.422%0.21521%0.208CC..  trans-80.9141.7-178.1-60177.4000111.5V856 L862 W880 L881 V887V856-L884 HydrophobicContact CB-CD1 4.4Å; V856-L884 HydrophobicContact CB-CD2 4.24Å; V856-L884 HydrophobicContact CG1-CD1 4.32Å; V856-L884 HydrophobicContact CG2-CD1 4.2Å; V856-L884 HydrophobicContact CG2-CD2 4.44Å; L862-L884 HydrophobicContact CD1-CD1 3.53Å; W880-L884 HydrophobicContact CD2-CD1 4.38Å; W880-L884 HydrophobicContact CE3-CD1 4.4Å; W880-L884 HydrophobicContact CH2-CD1 4.04Å; W880-L884 HydrophobicContact CZ2-CD1 3.99Å; W880-L884 HydrophobicContact CZ3-CD1 4.24Å; W880-L884 WeakPolarHBondContact O-CG 3.34Å; L881-L884 HydrophobicContact CD1-CD1 4.42Å; L881-L884 PolarHBondContact O-N 3.5Å; L881-L884 VanDerWaalsContact O-N 3.17Å; L884-V887 HydrophobicContact CB-CG1 4.08Å; L884-V887 HydrophobicContact CB-CG2 3.78Å; L884-V887 HydrophobicContact CD1-CG2 4.49Å
885Q84.6Confident93Very high167 Ų16744.7 Ų44.778%0.7823%0.229SC*.SBendtrans-108.8139.9178.2-64.5-174.6-12.800110.4
886D86.6Confident92.6Very high122 Ų12245.3 Ų45.365%0.65223%0.228SC*.SBendtrans56.252.6174.6-169.335.2000112.7P858 G859P858-D886 HydrophobicContact CB-CB 4.19Å; G859-D886 WeakPolarHBondContact CA-O 3.47Å; G859-D886 PolarHBondContact N-O 2.87Å; G859-D886 PolarHBondContact N-OD2 3.02Å
887V91.7Very high92.3Very high29 Ų2944 Ų4418%0.17622%0.221CC..  trans-124.3151.4176.7-63.50000110V856 L862 L881 L884V856-V887 HydrophobicContact CG1-CG1 3.85Å; L862-V887 HydrophobicContact CD1-CB 3.78Å; L862-V887 HydrophobicContact CD1-CG1 4.02Å; L862-V887 HydrophobicContact CD1-CG2 3.86Å; L881-V887 HydrophobicContact CD1-CG2 4.08Å; L884-V887 HydrophobicContact CB-CG1 4.08Å; L884-V887 HydrophobicContact CB-CG2 3.78Å; L884-V887 HydrophobicContact CD1-CG2 4.49Å
888T93.3Very high91.8Very high68 Ų6845.8 Ų45.842%0.41724%0.24SC..EExtended strand (participates in β ladder)trans-112.7107175.3-58.70000109.3S860 L861 L862S860-T888 PolarHBondContact O-N 3.36Å; L861-T888 WeakPolarHBondContact CA-O 3.44Å; L861-T888 HydrophobicContact CD2-CG2 4.15Å; L862-T888 PolarHBondContact N-O 3.3Å
889P97.1Very high91.4Very high4 Ų450 Ų503%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-72.9132.1174.82.311000110.1L862 L881 I891 C911 P913 L914L862-P889 CarbonylContact O-C 3.57Å; L862-P889 WeakPolarHBondContact O-CA 3.48Å; L881-P889 HydrophobicContact CD1-CB 4.41Å; L881-P889 HydrophobicContact CD1-CG 4.17Å; L881-P889 HydrophobicContact CD2-CB 4.04Å; L881-P889 HydrophobicContact CD2-CG 3.98Å; P889-I891 HydrophobicContact CB-CG1 4.46Å; P889-C911 HydrophobicContact CG-CB 4.16Å; P889-P913 HydrophobicContact CB-CB 4.03Å; P889-P913 HydrophobicContact CG-CB 4.3Å; P889-P913 CarbonylContact O-C 3.52Å; P889-P913 VanDerWaalsContact O-CA 3.24Å; P889-P913 WeakPolarHBondContact O-CA 3.49Å; P889-L914 PolarHBondContact O-N 2.95Å
890F97.4Very high91.3Very high2 Ų247.5 Ų47.51%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-108.4121.8167.6-173.5-64.7000108L862 Y863 F864 L914 A988 V991 L992L862-F890 PolarHBondContact O-N 3.34Å; Y863-F890 CarbonylContact C-O 3.56Å; Y863-F890 VanDerWaalsContact CA-O 3.32Å; Y863-F890 WeakPolarHBondContact CA-O 3.4Å; Y863-F890 AromaticContact CD2-CD1 3.82Å; Y863-F890 HydrophobicContact CD2-CD1 3.82Å; Y863-F890 HydrophobicContact CD2-CE1 4.42Å; Y863-F890 HydrophobicContact CE2-CD1 4.32Å; F864-F890 PolarHBondContact N-O 3.02Å; F890-L914 CarbonylContact C-O 3.44Å; F890-L914 WeakPolarHBondContact CA-O 3.35Å; F890-L914 HydrophobicContact CD2-CD2 3.33Å; F890-L914 HydrophobicContact CD2-CG 4.44Å; F890-L914 HydrophobicContact CE2-CD2 3.21Å; F890-L914 HydrophobicContact CG-CD2 4.13Å; F890-L914 HydrophobicContact CZ-CD2 3.92Å; F890-A988 HydrophobicContact CE1-CB 3.79Å; F890-A988 HydrophobicContact CZ-CB 3.95Å; F890-V991 HydrophobicContact CE2-CB 4.04Å; F890-V991 HydrophobicContact CE2-CG1 3.72Å; F890-V991 HydrophobicContact CZ-CB 4.43Å; F890-V991 HydrophobicContact CZ-CG1 4.47Å; F890-L992 HydrophobicContact CB-CD2 3.82Å; F890-L992 HydrophobicContact CD1-CD1 4.48Å; F890-L992 HydrophobicContact CD2-CD2 3.76Å; F890-L992 HydrophobicContact CD2-CG 3.88Å; F890-L992 HydrophobicContact CE2-CG 4.22Å; F890-L992 HydrophobicContact CG-CD1 4.38Å; F890-L992 HydrophobicContact CG-CD2 3.88Å; F890-L992 HydrophobicContact CG-CG 4.1Å
891I96.8Very high91.2Very high2 Ų250.3 Ų50.31%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-124.7121.1-175.7-52.6-176.6000110.4F864 L869 P889 F893 I908 P913 L914 V915 S916F864-I891 HydrophobicContact CB-CG1 4.31Å; L869-I891 HydrophobicContact CD1-CD1 4Å; L869-I891 HydrophobicContact CD1-CG2 3.69Å; P889-I891 HydrophobicContact CB-CG1 4.46Å; I891-F893 HydrophobicContact CB-CE2 4.42Å; I891-F893 HydrophobicContact CB-CZ 4.47Å; I891-F893 HydrophobicContact CD1-CZ 4.44Å; I891-F893 HydrophobicContact CG2-CD1 3.78Å; I891-F893 HydrophobicContact CG2-CD2 4.01Å; I891-F893 HydrophobicContact CG2-CE1 3.74Å; I891-F893 HydrophobicContact CG2-CE2 3.96Å; I891-F893 HydrophobicContact CG2-CG 3.93Å; I891-F893 HydrophobicContact CG2-CZ 3.83Å; I891-I908 HydrophobicContact CD1-CG2 3.42Å; I891-I908 VanDerWaalsContact CD1-CG2 3.42Å; I891-P913 HydrophobicContact CB-CB 4.45Å; I891-P913 HydrophobicContact CD1-CB 3.56Å; I891-P913 HydrophobicContact CD1-CG 3.94Å; I891-P913 HydrophobicContact CG1-CB 3.77Å; I891-L914 PolarHBondContact N-O 3.48Å; I891-V915 WeakPolarHBondContact O-CA 3.36Å; I891-S916 PolarHBondContact O-N 3.02Å
892D92.8Very high91Very high10 Ų1055.4 Ų55.45%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-100.5104.6160-168.9-30.1000107.5Y863 F864 G866 G894 R953Y863-D892 HydrophobicContact CE2-CB 4.12Å; F864-D892 PolarHBondContact O-N 3.37Å; G866-D892 PolarHBondContact N-O 3.42Å; D892-G894 PolarHBondContact O-N 2.93Å; D892-G894 PolarHBondContact OD1-N 3.03Å; D892-R953 IonicContact OD1-NH2 2.98Å; D892-R953 IonicContact OD2-CZ 3.8Å; D892-R953 IonicContact OD2-NH1 3.64Å; D892-R953 PolarHBondContact OD2-NH1 3.34Å; D892-R953 IonicContact OD2-NH2 2.7Å; D892-R953 PolarHBondContact OD2-NH2 3.13Å
893F91.2Very high90.9Very high0 Ų054.9 Ų54.90%031%0.309CS..  trans-70.3-19.6-177.3-73-74.3000112.7G866 L869 I891 R896 I897 I900 L905 I908 M909 V915 L917G866-F893 WeakPolarHBondContact CA-O 3.33Å; L869-F893 HydrophobicContact CD1-CE1 4.3Å; I891-F893 HydrophobicContact CB-CE2 4.42Å; I891-F893 HydrophobicContact CB-CZ 4.47Å; I891-F893 HydrophobicContact CD1-CZ 4.44Å; I891-F893 HydrophobicContact CG2-CD1 3.78Å; I891-F893 HydrophobicContact CG2-CD2 4.01Å; I891-F893 HydrophobicContact CG2-CE1 3.74Å; I891-F893 HydrophobicContact CG2-CE2 3.96Å; I891-F893 HydrophobicContact CG2-CG 3.93Å; I891-F893 HydrophobicContact CG2-CZ 3.83Å; F893-R896 PolarHBondContact O-N 3.05Å; F893-I897 HydrophobicContact CB-CB 3.68Å; F893-I897 HydrophobicContact CB-CD1 4.3Å; F893-I897 HydrophobicContact CB-CG1 4.04Å; F893-I897 HydrophobicContact CD1-CG1 4.22Å; F893-I897 HydrophobicContact CD2-CD1 3.8Å; F893-I897 HydrophobicContact CD2-CG1 4.15Å; F893-I897 HydrophobicContact CE2-CD1 4.28Å; F893-I897 HydrophobicContact CG-CB 4.1Å; F893-I897 HydrophobicContact CG-CD1 4.05Å; F893-I897 HydrophobicContact CG-CG1 3.9Å; F893-I900 HydrophobicContact CD1-CD1 3.49Å; F893-I900 VanDerWaalsContact CD1-CD1 3.49Å; F893-I900 HydrophobicContact CE1-CD1 3.64Å; F893-L905 HydrophobicContact CE1-CD1 3.97Å; F893-L905 HydrophobicContact CZ-CD1 4.01Å; F893-I908 HydrophobicContact CE1-CG2 4.19Å; F893-I908 HydrophobicContact CZ-CG2 3.93Å; F893-M909 HydrophobicContact CE2-SD 4.45Å; F893-M909 HydrophobicContact CZ-SD 4.24Å; F893-V915 HydrophobicContact CD2-CG1 3.66Å; F893-V915 HydrophobicContact CE2-CB 4.42Å; F893-V915 HydrophobicContact CE2-CG1 3.65Å; F893-V915 HydrophobicContact CE2-CG2 3.82Å; F893-L917 HydrophobicContact CB-CD2 4.37Å; F893-L917 HydrophobicContact CD2-CD2 4.16Å
894G85.4Confident91Very high6 Ų649 Ų496%0.06228%0.282CS..G310 helixtrans55.7-158.1-16900000112.4D892 R896 E921D892-G894 PolarHBondContact O-N 2.93Å; D892-G894 PolarHBondContact OD1-N 3.03Å; G894-R896 PolarHBondContact O-N 2.84Å; G894-R896 VanDerWaalsContact O-N 3.09Å; G894-E921 WeakPolarHBondContact CA-OE1 3.43Å; G894-E921 WeakPolarHBondContact O-CG 3.48Å
895P81.4Confident91.2Very high69 Ų6947.2 Ų47.245%0.44827%0.273SS..G310 helixtrans-68.4-8.4174.429.8-35.8000112.9I897P895-I897 VanDerWaalsContact C-N 3.28Å; P895-I897 PolarHBondContact O-N 2.94Å
896R87.6Confident91.6Very high98 Ų9842.3 Ų42.337%0.3726%0.261SS..G310 helixtrans-81.4-2.6-175.1-61.5-60.2-175.9-179-2.4113.7Y867 A870 F893 G894 G898 D899 I900Y867-R896 HydrophobicContact CD1-CG 3.69Å; Y867-R896 HydrophobicContact CE1-CG 3.81Å; Y867-R896 HydrophobicContact CG-CG 4.24Å; A870-R896 HydrophobicContact CB-CB 3.85Å; A870-R896 HydrophobicContact CB-CG 4.46Å; F893-R896 PolarHBondContact O-N 3.05Å; G894-R896 PolarHBondContact O-N 2.84Å; G894-R896 VanDerWaalsContact O-N 3.09Å; R896-G898 PolarHBondContact O-N 3.03Å; R896-G898 VanDerWaalsContact O-N 3.08Å; R896-D899 WeakPolarHBondContact CD-OD2 3.43Å; R896-D899 IonicContact CZ-OD2 3.52Å; R896-D899 IonicContact NE-OD2 3.33Å; R896-D899 IonicContact NH1-OD2 2.95Å; R896-D899 PolarHBondContact NH1-OD2 2.96Å; R896-D899 PolarHBondContact O-N 3.44Å; R896-I900 PolarHBondContact O-N 3.42Å
897I88.9Confident92.1Very high0 Ų039.4 Ų39.40%024%0.241CC..G310 helixtrans-54.7-30.7175.5-161.4172.7000112F893 P895 L917 I924 A925 R928 F929F893-I897 HydrophobicContact CB-CB 3.68Å; F893-I897 HydrophobicContact CB-CD1 4.3Å; F893-I897 HydrophobicContact CB-CG1 4.04Å; F893-I897 HydrophobicContact CD1-CG1 4.22Å; F893-I897 HydrophobicContact CD2-CD1 3.8Å; F893-I897 HydrophobicContact CD2-CG1 4.15Å; F893-I897 HydrophobicContact CE2-CD1 4.28Å; F893-I897 HydrophobicContact CG-CB 4.1Å; F893-I897 HydrophobicContact CG-CD1 4.05Å; F893-I897 HydrophobicContact CG-CG1 3.9Å; P895-I897 VanDerWaalsContact C-N 3.28Å; P895-I897 PolarHBondContact O-N 2.94Å; I897-L917 HydrophobicContact CD1-CD2 4.41Å; I897-I924 HydrophobicContact CG2-CB 4.09Å; I897-I924 HydrophobicContact CG2-CG2 3.57Å; I897-A925 HydrophobicContact CD1-CB 3.73Å; I897-R928 PolarHBondContact O-NH1 3.29Å; I897-F929 HydrophobicContact CD1-CE2 4.3Å
898G85.8Confident92.3Very high39 Ų3938.1 Ų38.140%0.40223%0.233SC..G310 helixtrans-75.1-2117600000114.9R896 R928R896-G898 PolarHBondContact O-N 3.03Å; R896-G898 VanDerWaalsContact O-N 3.08Å; G898-R928 PolarHBondContact O-NH1 3.49Å
899D89.5Confident92.4Very high90 Ų9035.1 Ų35.148%0.48121%0.214SC..THydrogen-bonded Turntrans-92.2-17.5-174.2-63.9-32.4000113.2A870 R896A870-D899 HydrophobicContact CB-CB 4.23Å; R896-D899 WeakPolarHBondContact CD-OD2 3.43Å; R896-D899 IonicContact CZ-OD2 3.52Å; R896-D899 IonicContact NE-OD2 3.33Å; R896-D899 IonicContact NH1-OD2 2.95Å; R896-D899 PolarHBondContact NH1-OD2 2.96Å; R896-D899 PolarHBondContact O-N 3.44Å
900I92.8Very high92.3Very high2 Ų238.5 Ų38.51%0.0124%0.242CC..SBendtrans-68.5134.1179.7-60.9173.5000109.5L869 A870 F893 R896 L904 L905 I908 R928L869-I900 HydrophobicContact CB-CD1 4.12Å; A870-I900 HydrophobicContact CB-CG1 3.82Å; F893-I900 HydrophobicContact CD1-CD1 3.49Å; F893-I900 VanDerWaalsContact CD1-CD1 3.49Å; F893-I900 HydrophobicContact CE1-CD1 3.64Å; R896-I900 PolarHBondContact O-N 3.42Å; I900-L904 HydrophobicContact CG2-CB 4.16Å; I900-L904 HydrophobicContact CG2-CD2 4.23Å; I900-L904 HydrophobicContact CG2-CG 4.21Å; I900-L905 HydrophobicContact CG2-CB 3.92Å; I900-L905 HydrophobicContact CG2-CD1 4.46Å; I900-I908 HydrophobicContact CD1-CD1 4.46Å; I900-I908 HydrophobicContact CG2-CD1 4.16Å; I900-R928 PolarHBondContact O-NH1 3.49Å; I900-R928 PolarHBondContact O-NH2 3.45Å
901P93.6Very high92.2Very high79 Ų7940.2 Ų40.251%0.51325%0.254SS..  trans-62.6142.1174.8-24.534.7000113.1A903 L904 L905P901-A903 VanDerWaalsContact C-N 3.27Å; P901-A903 PolarHBondContact O-N 2.61Å; P901-L904 HydrophobicContact CB-CB 4.42Å; P901-L904 PolarHBondContact O-N 2.94Å; P901-L905 PolarHBondContact O-N 2.69Å
902D92.8Very high92.1Very high116 Ų11647.9 Ų47.962%0.6228%0.283SS*.Hα-helixtrans-55.3-39.4-176-71.5-31.5000113.6L904 L905 A906 R928D902-L904 PolarHBondContact O-N 2.89Å; D902-L905 PolarHBondContact O-N 2.63Å; D902-A906 WeakPolarHBondContact O-CB 3.27Å; D902-A906 PolarHBondContact O-N 2.87Å; D902-R928 IonicContact OD1-CZ 2.59Å; D902-R928 IonicContact OD1-NE 3.26Å; D902-R928 IonicContact OD1-NH2 3.39Å; D902-R928 PolarHBondContact OD1-NH2 2.94Å
903A94.5Very high92.2Very high78 Ų7847.4 Ų47.465%0.64528%0.28SS*.Hα-helixtrans-64.7-39.3178.600000112.4P901 R907P901-A903 VanDerWaalsContact C-N 3.27Å; P901-A903 PolarHBondContact O-N 2.61Å; A903-R907 PolarHBondContact O-N 2.7Å
904L95.8Very high92.5Very high8 Ų847.9 Ų47.94%0.04228%0.283CS..Hα-helixtrans-72.4-42.3177.1-175.859000110.7E875 V878 I900 P901 D902 A906 R907 I908E875-L904 WeakPolarHBondContact OE2-CD1 3.43Å; V878-L904 HydrophobicContact CB-CD1 3.7Å; V878-L904 HydrophobicContact CG1-CD1 3.96Å; V878-L904 HydrophobicContact CG2-CD1 3.62Å; V878-L904 HydrophobicContact CG2-CG 4.34Å; I900-L904 HydrophobicContact CG2-CB 4.16Å; I900-L904 HydrophobicContact CG2-CD2 4.23Å; I900-L904 HydrophobicContact CG2-CG 4.21Å; P901-L904 HydrophobicContact CB-CB 4.42Å; P901-L904 PolarHBondContact O-N 2.94Å; D902-L904 PolarHBondContact O-N 2.89Å; L904-A906 VanDerWaalsContact C-N 3.32Å; L904-A906 PolarHBondContact O-N 2.99Å; L904-R907 WeakPolarHBondContact O-CB 3.27Å; L904-R907 PolarHBondContact O-N 3.09Å; L904-R907 VanDerWaalsContact O-N 3.15Å; L904-I908 HydrophobicContact CG-CD1 4.07Å; L904-I908 WeakPolarHBondContact O-CG1 3.49Å; L904-I908 PolarHBondContact O-N 3.08Å
905L94.6Very high93.1Very high3 Ų347.6 Ų47.62%0.01628%0.28CS..Hα-helixtrans-61.1-40177.6-172.457.5000112F893 I900 P901 D902 R907 I908 M909 R928 F929F893-L905 HydrophobicContact CE1-CD1 3.97Å; F893-L905 HydrophobicContact CZ-CD1 4.01Å; I900-L905 HydrophobicContact CG2-CB 3.92Å; I900-L905 HydrophobicContact CG2-CD1 4.46Å; P901-L905 PolarHBondContact O-N 2.69Å; D902-L905 PolarHBondContact O-N 2.63Å; L905-R907 VanDerWaalsContact C-N 3.31Å; L905-R907 PolarHBondContact O-N 3.02Å; L905-I908 PolarHBondContact O-N 3.4Å; L905-M909 HydrophobicContact CD1-CG 4.44Å; L905-M909 WeakPolarHBondContact O-CG 3.15Å; L905-M909 PolarHBondContact O-N 2.97Å; L905-R928 VanDerWaalsContact CD2-NE 3.33Å; L905-F929 HydrophobicContact CD1-CZ 4.18Å; L905-F929 HydrophobicContact CD2-CE1 3.69Å; L905-F929 HydrophobicContact CD2-CE2 4.5Å; L905-F929 HydrophobicContact CD2-CZ 3.47Å; L905-F929 VanDerWaalsContact CD2-CZ 3.47Å; L905-F929 HydrophobicContact CG-CE1 4.08Å; L905-F929 HydrophobicContact CG-CZ 3.81Å
906A94.4Very high93.8Very high64 Ų6444.3 Ų44.353%0.52926%0.259SS..Hα-helixtrans-60.7-39.8175.300000112.5D902 L904 A910D902-A906 WeakPolarHBondContact O-CB 3.27Å; D902-A906 PolarHBondContact O-N 2.87Å; L904-A906 VanDerWaalsContact C-N 3.32Å; L904-A906 PolarHBondContact O-N 2.99Å; A906-A910 WeakPolarHBondContact O-CB 3.44Å; A906-A910 PolarHBondContact O-N 2.98Å
907R96.9Very high94.1Very high61 Ų6139.6 Ų39.623%0.2324%0.241CC..Hα-helixtrans-69.1-42.9176.1-73.6170.660-158.85112.5E875 V878 E879 E882 A903 L904 L905 M909 A910 C911E875-R907 VanDerWaalsContact CD-NH1 3.29Å; E875-R907 IonicContact OE1-CZ 2.95Å; E875-R907 IonicContact OE1-NH1 3.06Å; E875-R907 PolarHBondContact OE1-NH1 3.03Å; E875-R907 IonicContact OE2-NH1 2.83Å; V878-R907 HydrophobicContact CG1-CB 3.98Å; E879-R907 VanDerWaalsContact CG-NH2 3.32Å; E882-R907 WeakPolarHBondContact OE1-CB 3.46Å; E882-R907 IonicContact OE1-CZ 2.73Å; E882-R907 IonicContact OE1-NE 3.99Å; E882-R907 PolarHBondContact OE1-NE 2.76Å; E882-R907 IonicContact OE1-NH2 3Å; E882-R907 IonicContact OE2-CZ 3.53Å; E882-R907 IonicContact OE2-NE 3.02Å; E882-R907 PolarHBondContact OE2-NE 3.23Å; E882-R907 IonicContact OE2-NH2 3.6Å; E882-R907 PolarHBondContact OE2-NH2 3.38Å; A903-R907 PolarHBondContact O-N 2.7Å; L904-R907 WeakPolarHBondContact O-CB 3.27Å; L904-R907 PolarHBondContact O-N 3.09Å; L904-R907 VanDerWaalsContact O-N 3.15Å; L905-R907 VanDerWaalsContact C-N 3.31Å; L905-R907 PolarHBondContact O-N 3.02Å; R907-M909 VanDerWaalsContact C-N 3.32Å; R907-M909 PolarHBondContact O-N 2.97Å; R907-A910 WeakPolarHBondContact O-CB 3.42Å; R907-A910 PolarHBondContact O-N 3.18Å; R907-A910 VanDerWaalsContact O-N 3.16Å; R907-C911 PolarHBondContact O-N 3.33Å; R907-C911 PolarHBondContact O-SG 2.96Å
908I96.2Very high94.3Very high1 Ų141.6 Ų41.61%0.00525%0.252CS..Hα-helixtrans-55.2-50.8172.9-68.8163.6000109.9L869 V878 I891 F893 I900 L904 L905 A910 C911 P913L869-I908 HydrophobicContact CB-CD1 4.34Å; L869-I908 HydrophobicContact CD1-CD1 4.21Å; L869-I908 HydrophobicContact CD2-CD1 4.45Å; V878-I908 HydrophobicContact CG1-CG1 4.25Å; V878-I908 HydrophobicContact CG2-CD1 3.93Å; V878-I908 HydrophobicContact CG2-CG1 3.44Å; V878-I908 VanDerWaalsContact CG2-CG1 3.44Å; I891-I908 HydrophobicContact CD1-CG2 3.42Å; I891-I908 VanDerWaalsContact CD1-CG2 3.42Å; F893-I908 HydrophobicContact CE1-CG2 4.19Å; F893-I908 HydrophobicContact CZ-CG2 3.93Å; I900-I908 HydrophobicContact CD1-CD1 4.46Å; I900-I908 HydrophobicContact CG2-CD1 4.16Å; L904-I908 HydrophobicContact CG-CD1 4.07Å; L904-I908 WeakPolarHBondContact O-CG1 3.49Å; L904-I908 PolarHBondContact O-N 3.08Å; L905-I908 PolarHBondContact O-N 3.4Å; I908-A910 VanDerWaalsContact C-N 3.29Å; I908-A910 PolarHBondContact O-N 2.96Å; I908-C911 WeakPolarHBondContact O-CB 3.18Å; I908-C911 PolarHBondContact O-N 2.97Å; I908-C911 VanDerWaalsContact O-N 3.12Å; I908-P913 HydrophobicContact CG2-CG 4.36Å; I908-P913 WeakPolarHBondContact O-CD 3.48Å
909M95.5Very high94.6Very high6 Ų643.5 Ų43.53%0.0325%0.246CC..Hα-helixtrans-68-27-179.3-64.9-49.5-61.300113.2F893 L905 R907 C911 R912 P913 V915 F929 W942 F946 A948F893-M909 HydrophobicContact CE2-SD 4.45Å; F893-M909 HydrophobicContact CZ-SD 4.24Å; L905-M909 HydrophobicContact CD1-CG 4.44Å; L905-M909 WeakPolarHBondContact O-CG 3.15Å; L905-M909 PolarHBondContact O-N 2.97Å; R907-M909 VanDerWaalsContact C-N 3.32Å; R907-M909 PolarHBondContact O-N 2.97Å; M909-C911 PolarHBondContact O-N 3.25Å; M909-R912 PolarHBondContact O-N 3.27Å; M909-P913 HydrophobicContact CE-CG 4.34Å; M909-P913 HydrophobicContact SD-CG 4.01Å; M909-V915 HydrophobicContact CE-CG2 4.41Å; M909-V915 HydrophobicContact SD-CG2 4.48Å; M909-F929 HydrophobicContact CG-CZ 4.4Å; M909-W942 HydrophobicContact CE-CH2 4.12Å; M909-W942 HydrophobicContact CE-CZ2 3.43Å; M909-W942 VanDerWaalsContact CE-CZ2 3.43Å; M909-W942 HydrophobicContact SD-CZ2 4.33Å; M909-F946 HydrophobicContact CB-CD1 3.88Å; M909-F946 HydrophobicContact CB-CE1 4.15Å; M909-F946 HydrophobicContact CE-CB 3.86Å; M909-F946 HydrophobicContact CE-CD1 4.03Å; M909-F946 HydrophobicContact CE-CD2 3.89Å; M909-F946 HydrophobicContact CE-CE2 4.43Å; M909-F946 HydrophobicContact CE-CG 3.66Å; M909-F946 HydrophobicContact CG-CD1 4.24Å; M909-F946 HydrophobicContact CG-CE1 4.19Å; M909-A948 HydrophobicContact CE-CB 4.25Å
910A94.9Very high94.7Very high74 Ų7445.8 Ų45.861%0.61225%0.254SS*.Hα-helixtrans-65.1-23.9173.600000112.9A906 R907 I908 R912A906-A910 WeakPolarHBondContact O-CB 3.44Å; A906-A910 PolarHBondContact O-N 2.98Å; R907-A910 WeakPolarHBondContact O-CB 3.42Å; R907-A910 PolarHBondContact O-N 3.18Å; R907-A910 VanDerWaalsContact O-N 3.16Å; I908-A910 VanDerWaalsContact C-N 3.29Å; I908-A910 PolarHBondContact O-N 2.96Å; A910-R912 PolarHBondContact O-N 3.39Å
911C94.4Very high94.7Very high38 Ų3846.4 Ų46.426%0.25726%0.257SS..THydrogen-bonded Turntrans-76.61.6172.2-580000113.3L881 P889 R907 I908 M909L881-C911 HydrophobicContact CD2-CB 4.16Å; P889-C911 HydrophobicContact CG-CB 4.16Å; R907-C911 PolarHBondContact O-N 3.33Å; R907-C911 PolarHBondContact O-SG 2.96Å; I908-C911 WeakPolarHBondContact O-CB 3.18Å; I908-C911 PolarHBondContact O-N 2.97Å; I908-C911 VanDerWaalsContact O-N 3.12Å; M909-C911 PolarHBondContact O-N 3.25Å
912R94.2Very high94.7Very high163 Ų16342.7 Ų42.762%0.61523%0.233SC*.  trans49.653.4179.8-56.9-179.3-175.6156.81.2113.9M909 A910 A948M909-R912 PolarHBondContact O-N 3.27Å; A910-R912 PolarHBondContact O-N 3.39Å; R912-A948 HydrophobicContact CB-CB 4.39Å
913P96.4Very high94.7Very high0 Ų042.2 Ų42.20%023%0.227CC..  trans-65.4147.4-178.329.2-35.6000111.5P889 I891 I908 M909 V915 A948P889-P913 HydrophobicContact CB-CB 4.03Å; P889-P913 HydrophobicContact CG-CB 4.3Å; P889-P913 CarbonylContact O-C 3.52Å; P889-P913 VanDerWaalsContact O-CA 3.24Å; P889-P913 WeakPolarHBondContact O-CA 3.49Å; I891-P913 HydrophobicContact CB-CB 4.45Å; I891-P913 HydrophobicContact CD1-CB 3.56Å; I891-P913 HydrophobicContact CD1-CG 3.94Å; I891-P913 HydrophobicContact CG1-CB 3.77Å; I908-P913 HydrophobicContact CG2-CG 4.36Å; I908-P913 WeakPolarHBondContact O-CD 3.48Å; M909-P913 HydrophobicContact CE-CG 4.34Å; M909-P913 HydrophobicContact SD-CG 4.01Å; P913-V915 HydrophobicContact CB-CG2 4.12Å; P913-V915 HydrophobicContact CG-CG2 3.78Å; P913-V915 PolarHBondContact O-N 2.77Å; P913-A948 WeakPolarHBondContact O-CB 3.38Å
914L96.9Very high94.6Very high10 Ų1041.6 Ų41.65%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-73.7116.1159.5-173.3142.8000108.2P889 F890 I891 P949 I951 L995 L1001P889-L914 PolarHBondContact O-N 2.95Å; F890-L914 CarbonylContact C-O 3.44Å; F890-L914 WeakPolarHBondContact CA-O 3.35Å; F890-L914 HydrophobicContact CD2-CD2 3.33Å; F890-L914 HydrophobicContact CD2-CG 4.44Å; F890-L914 HydrophobicContact CE2-CD2 3.21Å; F890-L914 HydrophobicContact CG-CD2 4.13Å; F890-L914 HydrophobicContact CZ-CD2 3.92Å; I891-L914 PolarHBondContact N-O 3.48Å; L914-P949 HydrophobicContact CB-CB 4.21Å; L914-P949 HydrophobicContact CB-CG 4.42Å; L914-P949 HydrophobicContact CD1-CB 3.74Å; L914-P949 HydrophobicContact CD1-CG 4.24Å; L914-P949 HydrophobicContact CG-CB 3.83Å; L914-P949 HydrophobicContact CG-CG 4.48Å; L914-I951 HydrophobicContact CD2-CD1 3.8Å; L914-I951 HydrophobicContact CD2-CG1 4.4Å; L914-L995 HydrophobicContact CD1-CD1 4.25Å; L914-L1001 HydrophobicContact CD1-CD1 3.68Å; L914-L1001 HydrophobicContact CD1-CD2 4.33Å
915V97.2Very high94.5Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-105133.6-173.21780000110.6I891 F893 M909 P913 L917 W942 P949 L950 I951I891-V915 WeakPolarHBondContact O-CA 3.36Å; F893-V915 HydrophobicContact CD2-CG1 3.66Å; F893-V915 HydrophobicContact CE2-CB 4.42Å; F893-V915 HydrophobicContact CE2-CG1 3.65Å; F893-V915 HydrophobicContact CE2-CG2 3.82Å; M909-V915 HydrophobicContact CE-CG2 4.41Å; M909-V915 HydrophobicContact SD-CG2 4.48Å; P913-V915 HydrophobicContact CB-CG2 4.12Å; P913-V915 HydrophobicContact CG-CG2 3.78Å; P913-V915 PolarHBondContact O-N 2.77Å; V915-L917 HydrophobicContact CG1-CD1 4.32Å; V915-L917 HydrophobicContact CG1-CD2 3.89Å; V915-L917 HydrophobicContact CG1-CG 3.87Å; V915-W942 HydrophobicContact CB-CZ2 3.94Å; V915-W942 HydrophobicContact CG1-CH2 4.33Å; V915-W942 HydrophobicContact CG1-CZ2 4.06Å; V915-W942 HydrophobicContact CG2-CZ2 3.89Å; V915-P949 PolarHBondContact N-O 3.29Å; V915-L950 HydrophobicContact CB-CD1 4.19Å; V915-L950 HydrophobicContact CG1-CD1 4.14Å; V915-L950 CarbonylContact O-C 3.58Å; V915-L950 WeakPolarHBondContact O-CA 3.25Å; V915-I951 PolarHBondContact O-N 2.82Å
916S96.3Very high94.4Very high0 Ų041.2 Ų41.20%021%0.211CC..EExtended strand (participates in β ladder)trans-115.8122.1175.3173.20000109.9I891 R953I891-S916 PolarHBondContact O-N 3.02Å; S916-R953 PolarHBondContact OG-NE 2.99Å
917L95.1Very high94.4Very high0 Ų046 Ų460%022%0.222CC..EExtended strand (participates in β ladder)trans-127.2149.7179.6-56.4177000110.3F893 I897 V915 E921 A922 A925 L950 I951 V952 R953F893-L917 HydrophobicContact CB-CD2 4.37Å; F893-L917 HydrophobicContact CD2-CD2 4.16Å; I897-L917 HydrophobicContact CD1-CD2 4.41Å; V915-L917 HydrophobicContact CG1-CD1 4.32Å; V915-L917 HydrophobicContact CG1-CD2 3.89Å; V915-L917 HydrophobicContact CG1-CG 3.87Å; L917-E921 WeakPolarHBondContact CA-OE2 3.29Å; L917-E921 HydrophobicContact CB-CB 4Å; L917-E921 HydrophobicContact CD2-CB 4.04Å; L917-A922 HydrophobicContact CB-CB 4.31Å; L917-A922 HydrophobicContact CD1-CB 4.4Å; L917-A925 HydrophobicContact CD1-CB 3.72Å; L917-L950 HydrophobicContact CD1-CD1 3.96Å; L917-L950 HydrophobicContact CG-CD1 4.22Å; L917-I951 PolarHBondContact N-O 3.15Å; L917-V952 CarbonylContact O-C 3.58Å; L917-V952 WeakPolarHBondContact O-CA 3.48Å; L917-R953 PolarHBondContact O-N 3.33Å; L917-R953 PolarHBondContact O-NE 3.39Å
918N93.2Very high94Very high42 Ų4246.2 Ų46.223%0.22522%0.223CC..EExtended strand (participates in β ladder)trans-85.7178.8161.37436.9000110.7Q920 E921 A922 R953N918-Q920 PolarHBondContact O-N 3.38Å; N918-Q920 PolarHBondContact OD1-N 3.28Å; N918-E921 PolarHBondContact N-OE2 2.94Å; N918-E921 PolarHBondContact ND2-OE1 3.47Å; N918-E921 PolarHBondContact ND2-OE2 3.41Å; N918-E921 PolarHBondContact O-N 3.5Å; N918-E921 WeakPolarHBondContact OD1-CG 3.37Å; N918-E921 PolarHBondContact OD1-N 3.33Å; N918-A922 VanDerWaalsContact O-CB 3.3Å; N918-A922 WeakPolarHBondContact O-CB 3.26Å; N918-A922 PolarHBondContact O-N 2.92Å; N918-R953 CarbonylContact C-O 3.58Å; N918-R953 WeakPolarHBondContact CA-O 3.35Å
919R92.6Very high93.8Very high78 Ų7847.3 Ų47.329%0.29423%0.228SC..Hα-helixtrans-54.1-48.9-180-174.3-177.3-62.3-90.92.6113.4A922 E923 R953 L954 E957R919-A922 PolarHBondContact O-N 3.38Å; R919-E923 WeakPolarHBondContact O-CG 3.45Å; R919-E923 PolarHBondContact O-N 3.42Å; R919-R953 PolarHBondContact N-O 3.02Å; R919-R953 VanDerWaalsContact N-O 3.12Å; R919-L954 HydrophobicContact CB-CD2 4.1Å; R919-L954 HydrophobicContact CG-CD2 4.24Å; R919-E957 IonicContact CZ-OE2 2.62Å; R919-E957 IonicContact NH1-OE2 3.65Å; R919-E957 IonicContact NH2-OE1 3.21Å; R919-E957 PolarHBondContact NH2-OE1 2.97Å; R919-E957 IonicContact NH2-OE2 2.8Å; R919-E957 PolarHBondContact NH2-OE2 3.35Å
920Q90.4Very high93.8Very high139 Ų13951.4 Ų51.465%0.6526%0.262SS*.Hα-helixtrans-69.9-41-176.7-64.7165.8-2.500111N918 A922 E923 I924N918-Q920 PolarHBondContact O-N 3.38Å; N918-Q920 PolarHBondContact OD1-N 3.28Å; Q920-A922 VanDerWaalsContact C-N 3.31Å; Q920-A922 PolarHBondContact O-N 3Å; Q920-E923 WeakPolarHBondContact O-CB 3.43Å; Q920-E923 PolarHBondContact O-N 3.21Å; Q920-I924 WeakPolarHBondContact O-CG1 3.4Å; Q920-I924 PolarHBondContact O-N 2.84Å
921E93Very high93.7Very high15 Ų1549.2 Ų49.27%0.0724%0.24CC..Hα-helixtrans-65.2-36176.6-65.9162.1179.200111.7G894 L917 N918 I924 A925 R953G894-E921 WeakPolarHBondContact CA-OE1 3.43Å; G894-E921 WeakPolarHBondContact O-CG 3.48Å; L917-E921 WeakPolarHBondContact CA-OE2 3.29Å; L917-E921 HydrophobicContact CB-CB 4Å; L917-E921 HydrophobicContact CD2-CB 4.04Å; N918-E921 PolarHBondContact N-OE2 2.94Å; N918-E921 PolarHBondContact ND2-OE1 3.47Å; N918-E921 PolarHBondContact ND2-OE2 3.41Å; N918-E921 PolarHBondContact O-N 3.5Å; N918-E921 WeakPolarHBondContact OD1-CG 3.37Å; N918-E921 PolarHBondContact OD1-N 3.33Å; E921-I924 PolarHBondContact O-N 3.47Å; E921-A925 VanDerWaalsContact O-CB 3.3Å; E921-A925 WeakPolarHBondContact O-CB 3.5Å; E921-A925 PolarHBondContact O-N 3.27Å; E921-R953 IonicContact OE2-NH2 3.73Å; E921-R953 PolarHBondContact OE2-NH2 2.95Å
922A93.8Very high93.7Very high1 Ų149.2 Ų49.21%0.00824%0.24CC..Hα-helixtrans-65.4-36.8174.100000112.3L917 N918 R919 Q920 A925 A926 L938 V952L917-A922 HydrophobicContact CB-CB 4.31Å; L917-A922 HydrophobicContact CD1-CB 4.4Å; N918-A922 VanDerWaalsContact O-CB 3.3Å; N918-A922 WeakPolarHBondContact O-CB 3.26Å; N918-A922 PolarHBondContact O-N 2.92Å; R919-A922 PolarHBondContact O-N 3.38Å; Q920-A922 VanDerWaalsContact C-N 3.31Å; Q920-A922 PolarHBondContact O-N 3Å; A922-A925 PolarHBondContact O-N 3.28Å; A922-A926 VanDerWaalsContact O-CB 3.25Å; A922-A926 WeakPolarHBondContact O-CB 3.47Å; A922-A926 PolarHBondContact O-N 3.21Å; A922-L938 HydrophobicContact CB-CD2 3.99Å; A922-V952 HydrophobicContact CB-CG1 3.76Å; A922-V952 HydrophobicContact CB-CG2 4.44Å
923E93.6Very high93.5Very high106 Ų10644.3 Ų44.350%0.49524%0.235SC..Hα-helixtrans-65.3-45.8173.3-70.4170.5-172.100111.4R919 Q920 A925 A926 E927R919-E923 WeakPolarHBondContact O-CG 3.45Å; R919-E923 PolarHBondContact O-N 3.42Å; Q920-E923 WeakPolarHBondContact O-CB 3.43Å; Q920-E923 PolarHBondContact O-N 3.21Å; E923-A925 VanDerWaalsContact C-N 3.32Å; E923-A925 PolarHBondContact O-N 3.04Å; E923-A926 PolarHBondContact O-N 3.05Å; E923-E927 PolarHBondContact O-N 3.16Å
924I91.9Very high93.5Very high65 Ų6548.4 Ų48.433%0.33325%0.254SS..Hα-helixtrans-61.1-43.8175.9-61.6165.9000110.3I897 Q920 E921 E927 R928I897-I924 HydrophobicContact CG2-CB 4.09Å; I897-I924 HydrophobicContact CG2-CG2 3.57Å; Q920-I924 WeakPolarHBondContact O-CG1 3.4Å; Q920-I924 PolarHBondContact O-N 2.84Å; E921-I924 PolarHBondContact O-N 3.47Å; I924-E927 PolarHBondContact O-N 2.89Å; I924-R928 WeakPolarHBondContact O-CB 3.41Å; I924-R928 PolarHBondContact O-N 2.79Å
925A92.7Very high93.3Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-63.3-43.8177.200000111.6I897 L917 E921 A922 E923 R928 F929 W942I897-A925 HydrophobicContact CD1-CB 3.73Å; L917-A925 HydrophobicContact CD1-CB 3.72Å; E921-A925 VanDerWaalsContact O-CB 3.3Å; E921-A925 WeakPolarHBondContact O-CB 3.5Å; E921-A925 PolarHBondContact O-N 3.27Å; A922-A925 PolarHBondContact O-N 3.28Å; E923-A925 VanDerWaalsContact C-N 3.32Å; E923-A925 PolarHBondContact O-N 3.04Å; A925-R928 PolarHBondContact O-N 3.47Å; A925-F929 HydrophobicContact CB-CD2 4.42Å; A925-F929 WeakPolarHBondContact O-CB 3.28Å; A925-F929 WeakPolarHBondContact O-CD2 3.45Å; A925-F929 PolarHBondContact O-N 3.37Å; A925-W942 HydrophobicContact CB-CZ3 4.19Å
926A93.7Very high93.1Very high2 Ų252 Ų522%0.01728%0.276CS..Hα-helixtrans-60.8-48.1178.400000111.3A922 E923 F929 A930 L931 A933 L938A922-A926 VanDerWaalsContact O-CB 3.25Å; A922-A926 WeakPolarHBondContact O-CB 3.47Å; A922-A926 PolarHBondContact O-N 3.21Å; E923-A926 PolarHBondContact O-N 3.05Å; A926-F929 PolarHBondContact O-N 3.44Å; A926-A930 WeakPolarHBondContact O-CA 3.19Å; A926-A930 PolarHBondContact O-N 3.4Å; A926-L931 PolarHBondContact O-N 3.39Å; A926-A933 HydrophobicContact CB-CB 4.42Å; A926-L938 HydrophobicContact CB-CD1 3.95Å
927E92.9Very high93Very high165 Ų16554.7 Ų54.777%0.77129%0.292SS*.Hα-helixtrans-59.7-50.5175.4-176.1177.1-175.100111.1E923 I924 F929 A930E923-E927 PolarHBondContact O-N 3.16Å; I924-E927 PolarHBondContact O-N 2.89Å; E927-F929 VanDerWaalsContact C-N 3.29Å; E927-F929 PolarHBondContact O-N 3.4Å; E927-A930 PolarHBondContact O-N 2.98Å; E927-A930 VanDerWaalsContact O-N 3.12Å
928R90.1Very high93.1Very high66 Ų6654.7 Ų54.725%0.24929%0.292CS..Hα-helixtrans-59.6-38.5-176.9-176166.8-170.8152.213.2113I897 G898 I900 D902 L905 I924 A925I897-R928 PolarHBondContact O-NH1 3.29Å; G898-R928 PolarHBondContact O-NH1 3.49Å; I900-R928 PolarHBondContact O-NH1 3.49Å; I900-R928 PolarHBondContact O-NH2 3.45Å; D902-R928 IonicContact OD1-CZ 2.59Å; D902-R928 IonicContact OD1-NE 3.26Å; D902-R928 IonicContact OD1-NH2 3.39Å; D902-R928 PolarHBondContact OD1-NH2 2.94Å; L905-R928 VanDerWaalsContact CD2-NE 3.33Å; I924-R928 WeakPolarHBondContact O-CB 3.41Å; I924-R928 PolarHBondContact O-N 2.79Å; A925-R928 PolarHBondContact O-N 3.47Å
929F92Very high93.1Very high24 Ų2452.7 Ų52.711%0.10528%0.281CS..Hα-helixtrans-95.75.6-179.1-64.1-58.3000114.1I897 L905 M909 A925 A926 E927 L931 W942 K945 F946I897-F929 HydrophobicContact CD1-CE2 4.3Å; L905-F929 HydrophobicContact CD1-CZ 4.18Å; L905-F929 HydrophobicContact CD2-CE1 3.69Å; L905-F929 HydrophobicContact CD2-CE2 4.5Å; L905-F929 HydrophobicContact CD2-CZ 3.47Å; L905-F929 VanDerWaalsContact CD2-CZ 3.47Å; L905-F929 HydrophobicContact CG-CE1 4.08Å; L905-F929 HydrophobicContact CG-CZ 3.81Å; M909-F929 HydrophobicContact CG-CZ 4.4Å; A925-F929 HydrophobicContact CB-CD2 4.42Å; A925-F929 WeakPolarHBondContact O-CB 3.28Å; A925-F929 WeakPolarHBondContact O-CD2 3.45Å; A925-F929 PolarHBondContact O-N 3.37Å; A926-F929 PolarHBondContact O-N 3.44Å; E927-F929 VanDerWaalsContact C-N 3.29Å; E927-F929 PolarHBondContact O-N 3.4Å; F929-L931 VanDerWaalsContact C-N 3.32Å; F929-L931 HydrophobicContact CB-CD1 3.98Å; F929-L931 HydrophobicContact CB-CG 3.82Å; F929-L931 PolarHBondContact O-N 2.91Å; F929-W942 HydrophobicContact CD2-CH2 4.36Å; F929-W942 AromaticContact CD2-CZ3 3.77Å; F929-W942 HydrophobicContact CD2-CZ3 3.77Å; F929-W942 AromaticContact CE2-CH2 3.9Å; F929-W942 HydrophobicContact CE2-CH2 3.9Å; F929-W942 AromaticContact CE2-CZ3 3.78Å; F929-W942 HydrophobicContact CE2-CZ3 3.78Å; F929-K945 PolarHBondContact O-NZ 3.43Å; F929-F946 HydrophobicContact CB-CZ 4.37Å; F929-F946 HydrophobicContact CD1-CE2 4.39Å; F929-F946 AromaticContact CD1-CZ 3.61Å; F929-F946 HydrophobicContact CD1-CZ 3.61Å; F929-F946 HydrophobicContact CD2-CE2 4.18Å; F929-F946 HydrophobicContact CD2-CZ 4.17Å; F929-F946 HydrophobicContact CE1-CE1 4.4Å; F929-F946 AromaticContact CE1-CZ 3.76Å; F929-F946 HydrophobicContact CE1-CZ 3.76Å; F929-F946 HydrophobicContact CE2-CE2 4.43Å; F929-F946 HydrophobicContact CE2-CZ 4.33Å; F929-F946 HydrophobicContact CG-CE2 4.14Å; F929-F946 AromaticContact CG-CZ 3.8Å; F929-F946 HydrophobicContact CG-CZ 3.8Å; F929-F946 HydrophobicContact CZ-CZ 4.1Å
930A93.7Very high93.1Very high91 Ų9155.4 Ų55.475%0.75230%0.295SS*.THydrogen-bonded Turntrans53.545.7-174.800000112.9A926 E927A926-A930 WeakPolarHBondContact O-CA 3.19Å; A926-A930 PolarHBondContact O-N 3.4Å; E927-A930 PolarHBondContact O-N 2.98Å; E927-A930 VanDerWaalsContact O-N 3.12Å
931L94.5Very high93.4Very high28 Ų2851.8 Ų51.815%0.14728%0.278CS..  trans-105.5167.1176.5-53.9-177.4000110.7A926 F929 L938 Q941 W942 K945A926-L931 PolarHBondContact O-N 3.39Å; F929-L931 VanDerWaalsContact C-N 3.32Å; F929-L931 HydrophobicContact CB-CD1 3.98Å; F929-L931 HydrophobicContact CB-CG 3.82Å; F929-L931 PolarHBondContact O-N 2.91Å; L931-L938 HydrophobicContact CB-CD1 3.81Å; L931-L938 HydrophobicContact CD1-CD1 3.84Å; L931-L938 HydrophobicContact CG-CD1 4.48Å; L931-Q941 HydrophobicContact CD2-CB 3.92Å; L931-W942 HydrophobicContact CD1-CE3 4.06Å; L931-K945 HydrophobicContact CD2-CD 4.07Å
932S93.6Very high93.5Very high38 Ų3851 Ų5127%0.26628%0.275SS..  trans-65.1140.6172-174.90000111.3E934 L938S932-E934 VanDerWaalsContact C-N 3.3Å; S932-E934 PolarHBondContact OG-N 3.32Å; S932-E934 VanDerWaalsContact OG-N 3.16Å; S932-L938 VanDerWaalsContact O-CB 3.29Å; S932-L938 WeakPolarHBondContact O-CB 3.39Å; S932-L938 WeakPolarHBondContact O-CD1 3.48Å
933A90.8Very high93.5Very high61 Ų6152.3 Ų52.350%0.50428%0.281SS..SBendtrans-80.3-10.8169.800000113.1A926 I935A926-A933 HydrophobicContact CB-CB 4.42Å; A933-I935 PolarHBondContact O-N 2.88Å
934E94.6Very high93.5Very high85 Ų8553.9 Ų53.940%0.39729%0.288SS..SBendtrans-74.4121174.5-172.7-77.9125.500109.5S932 T936 T937 L938S932-E934 VanDerWaalsContact C-N 3.3Å; S932-E934 PolarHBondContact OG-N 3.32Å; S932-E934 VanDerWaalsContact OG-N 3.16Å; E934-T936 PolarHBondContact O-N 3.27Å; E934-T936 WeakPolarHBondContact OE1-CB 3.47Å; E934-T936 PolarHBondContact OE1-N 2.96Å; E934-T936 PolarHBondContact OE1-OG1 3.16Å; E934-T936 PolarHBondContact OE2-OG1 2.96Å; E934-T937 PolarHBondContact O-N 3.03Å; E934-T937 VanDerWaalsContact O-N 3.15Å; E934-T937 WeakPolarHBondContact OE2-CB 3.48Å; E934-T937 PolarHBondContact OE2-N 3.03Å; E934-T937 PolarHBondContact OE2-OG1 2.96Å; E934-L938 WeakPolarHBondContact O-CB 3.49Å; E934-L938 PolarHBondContact O-N 2.97Å
935I93.4Very high93.6Very high25 Ų2556.2 Ų56.213%0.12830%0.296CS..Hα-helixtrans-55.7-43.1-164.3-59.1-53000114.1A933 L938 G939 V952 L954 W960 F962A933-I935 PolarHBondContact O-N 2.88Å; I935-L938 HydrophobicContact CD1-CD2 4.48Å; I935-L938 WeakPolarHBondContact O-CB 3.48Å; I935-L938 PolarHBondContact O-N 2.82Å; I935-G939 PolarHBondContact O-N 3.19Å; I935-V952 HydrophobicContact CD1-CG1 3.96Å; I935-V952 HydrophobicContact CG2-CB 4.43Å; I935-L954 HydrophobicContact CD1-CD2 4.28Å; I935-L954 HydrophobicContact CG1-CD1 4.27Å; I935-L954 HydrophobicContact CG1-CD2 4.26Å; I935-W960 HydrophobicContact CG2-CB 3.98Å; I935-W960 HydrophobicContact CG2-CD2 4.23Å; I935-W960 HydrophobicContact CG2-CG 3.69Å; I935-F962 HydrophobicContact CG2-CE2 4.22Å; I935-F962 HydrophobicContact CG2-CZ 4.14Å; I935-F962 VanDerWaalsContact O-CZ 3.31Å; I935-F962 WeakPolarHBondContact O-CZ 3.31Å
936T92.9Very high93.6Very high62 Ų6257.8 Ų57.838%0.3830%0.303SS..Hα-helixtrans-70.2-39.9-17863.50000111.6E934 K940 W960E934-T936 PolarHBondContact O-N 3.27Å; E934-T936 WeakPolarHBondContact OE1-CB 3.47Å; E934-T936 PolarHBondContact OE1-N 2.96Å; E934-T936 PolarHBondContact OE1-OG1 3.16Å; E934-T936 PolarHBondContact OE2-OG1 2.96Å; T936-K940 PolarHBondContact O-N 3.33Å; T936-W960 HydrophobicContact CG2-CE3 4.49Å; T936-W960 HydrophobicContact CG2-CH2 3.63Å; T936-W960 HydrophobicContact CG2-CZ2 3.9Å; T936-W960 HydrophobicContact CG2-CZ3 3.95Å
937T95Very high93.6Very high55 Ų5559.7 Ų59.734%0.33732%0.318SS..Hα-helixtrans-68.6-39.8173.1-55.80000111.7E934 K940 Q941E934-T937 PolarHBondContact O-N 3.03Å; E934-T937 VanDerWaalsContact O-N 3.15Å; E934-T937 WeakPolarHBondContact OE2-CB 3.48Å; E934-T937 PolarHBondContact OE2-N 3.03Å; E934-T937 PolarHBondContact OE2-OG1 2.96Å; T937-K940 PolarHBondContact O-N 2.92Å; T937-Q941 HydrophobicContact CG2-CG 4.24Å; T937-Q941 WeakPolarHBondContact O-CB 3.25Å; T937-Q941 WeakPolarHBondContact O-CG 3.28Å; T937-Q941 PolarHBondContact O-N 3.44Å
938L96Very high93.6Very high1 Ų151.8 Ų51.81%0.00528%0.281CS..Hα-helixtrans-56.2-53.7175.8176.557.7000110.3A922 A926 L931 S932 E934 I935 K940 Q941 W942 L950A922-L938 HydrophobicContact CB-CD2 3.99Å; A926-L938 HydrophobicContact CB-CD1 3.95Å; L931-L938 HydrophobicContact CB-CD1 3.81Å; L931-L938 HydrophobicContact CD1-CD1 3.84Å; L931-L938 HydrophobicContact CG-CD1 4.48Å; S932-L938 VanDerWaalsContact O-CB 3.29Å; S932-L938 WeakPolarHBondContact O-CB 3.39Å; S932-L938 WeakPolarHBondContact O-CD1 3.48Å; E934-L938 WeakPolarHBondContact O-CB 3.49Å; E934-L938 PolarHBondContact O-N 2.97Å; I935-L938 HydrophobicContact CD1-CD2 4.48Å; I935-L938 WeakPolarHBondContact O-CB 3.48Å; I935-L938 PolarHBondContact O-N 2.82Å; L938-K940 VanDerWaalsContact C-N 3.32Å; L938-K940 PolarHBondContact O-N 2.87Å; L938-Q941 PolarHBondContact O-N 2.98Å; L938-W942 WeakPolarHBondContact O-CB 3.32Å; L938-W942 PolarHBondContact O-N 2.84Å; L938-L950 HydrophobicContact CG-CD2 4.41Å
939G94.1Very high93.9Very high0 Ų050.3 Ų50.30%028%0.28CS..Hα-helixtrans-60.2-40.6-178.800000112.9I935 W942 Q943I935-G939 PolarHBondContact O-N 3.19Å; G939-W942 WeakPolarHBondContact O-CB 3.27Å; G939-W942 PolarHBondContact O-N 2.71Å; G939-Q943 WeakPolarHBondContact O-CG 3.41Å; G939-Q943 PolarHBondContact O-N 3.19Å
940K92.4Very high94.2Very high135 Ų13549.2 Ų49.259%0.58728%0.275SS*.Hα-helixtrans-64.8-49.7175.7-172.2-179.8177.2-1740112.2T936 T937 L938 W942 Q943 E944T936-K940 PolarHBondContact O-N 3.33Å; T937-K940 PolarHBondContact O-N 2.92Å; L938-K940 VanDerWaalsContact C-N 3.32Å; L938-K940 PolarHBondContact O-N 2.87Å; K940-W942 PolarHBondContact O-N 3.04Å; K940-Q943 PolarHBondContact O-N 3.45Å; K940-E944 WeakPolarHBondContact CE-OE1 3.4Å; K940-E944 WeakPolarHBondContact O-CG 3.07Å; K940-E944 PolarHBondContact O-N 3.22Å
941Q96Very high94.4Very high62 Ų6244.9 Ų44.929%0.2924%0.239SC..Hα-helixtrans-65-31.9178.6-69178.8-1600112L931 T937 L938 E944 K945L931-Q941 HydrophobicContact CD2-CB 3.92Å; T937-Q941 HydrophobicContact CG2-CG 4.24Å; T937-Q941 WeakPolarHBondContact O-CB 3.25Å; T937-Q941 WeakPolarHBondContact O-CG 3.28Å; T937-Q941 PolarHBondContact O-N 3.44Å; L938-Q941 PolarHBondContact O-N 2.98Å; Q941-E944 PolarHBondContact O-N 2.93Å; Q941-K945 WeakPolarHBondContact O-CB 3.35Å; Q941-K945 PolarHBondContact O-N 3.31Å
942W95.7Very high94.5Very high0 Ų043.5 Ų43.50%023%0.232CC..Hα-helixtrans-64-48.5174.6-173.9-79.5000111.8M909 V915 A925 F929 L931 L938 G939 K940 E944 K945 F946 A948 L950M909-W942 HydrophobicContact CE-CH2 4.12Å; M909-W942 HydrophobicContact CE-CZ2 3.43Å; M909-W942 VanDerWaalsContact CE-CZ2 3.43Å; M909-W942 HydrophobicContact SD-CZ2 4.33Å; V915-W942 HydrophobicContact CB-CZ2 3.94Å; V915-W942 HydrophobicContact CG1-CH2 4.33Å; V915-W942 HydrophobicContact CG1-CZ2 4.06Å; V915-W942 HydrophobicContact CG2-CZ2 3.89Å; A925-W942 HydrophobicContact CB-CZ3 4.19Å; F929-W942 HydrophobicContact CD2-CH2 4.36Å; F929-W942 AromaticContact CD2-CZ3 3.77Å; F929-W942 HydrophobicContact CD2-CZ3 3.77Å; F929-W942 AromaticContact CE2-CH2 3.9Å; F929-W942 HydrophobicContact CE2-CH2 3.9Å; F929-W942 AromaticContact CE2-CZ3 3.78Å; F929-W942 HydrophobicContact CE2-CZ3 3.78Å; L931-W942 HydrophobicContact CD1-CE3 4.06Å; L938-W942 WeakPolarHBondContact O-CB 3.32Å; L938-W942 PolarHBondContact O-N 2.84Å; G939-W942 WeakPolarHBondContact O-CB 3.27Å; G939-W942 PolarHBondContact O-N 2.71Å; K940-W942 PolarHBondContact O-N 3.04Å; W942-E944 PolarHBondContact O-N 3.49Å; W942-K945 PolarHBondContact O-N 2.97Å; W942-F946 AromaticContact CD2-CD2 3.78Å; W942-F946 HydrophobicContact CD2-CD2 3.78Å; W942-F946 HydrophobicContact CD2-CE2 4.14Å; W942-F946 AromaticContact CE2-CD2 3.9Å; W942-F946 HydrophobicContact CE3-CD2 4.13Å; W942-F946 AromaticContact CE3-CE2 3.99Å; W942-F946 HydrophobicContact CE3-CE2 3.99Å; W942-F946 HydrophobicContact CG-CD2 4.08Å; W942-F946 HydrophobicContact CZ2-CD2 4.35Å; W942-F946 HydrophobicContact CZ3-CE2 4.18Å; W942-F946 PolarHBondContact O-N 2.99Å; W942-A948 PolarHBondContact NE1-O 2.98Å; W942-L950 HydrophobicContact CB-CD2 4.08Å; W942-L950 HydrophobicContact CD2-CB 4.49Å; W942-L950 HydrophobicContact CD2-CD1 4.32Å; W942-L950 HydrophobicContact CD2-CD2 3.98Å; W942-L950 HydrophobicContact CD2-CG 4.49Å; W942-L950 HydrophobicContact CE3-CD2 4.32Å; W942-L950 HydrophobicContact CG-CB 4.14Å; W942-L950 HydrophobicContact CG-CD2 3.87Å; W942-L950 HydrophobicContact CG-CG 4.48Å; W942-L950 HydrophobicContact CZ2-CD1 4.24Å
943Q93.9Very high94.6Very high28 Ų2842.6 Ų42.613%0.13122%0.223CC..Hα-helixtrans-59.5-46.1174.3-69.7-57.8-4600111.3G939 K940 K945 A947 A948 F962 N964G939-Q943 WeakPolarHBondContact O-CG 3.41Å; G939-Q943 PolarHBondContact O-N 3.19Å; K940-Q943 PolarHBondContact O-N 3.45Å; Q943-K945 VanDerWaalsContact C-N 3.31Å; Q943-K945 PolarHBondContact O-N 3.47Å; Q943-A947 VanDerWaalsContact O-CA 3.29Å; Q943-A947 WeakPolarHBondContact O-CA 3.46Å; Q943-A947 PolarHBondContact O-N 2.92Å; Q943-A948 PolarHBondContact NE2-O 3.36Å; Q943-F962 HydrophobicContact CG-CB 4.17Å; Q943-F962 PolarHBondContact NE2-O 3.47Å; Q943-N964 PolarHBondContact OE1-OD1 3.02Å
944E92.9Very high94.8Very high138 Ų13840 Ų4065%0.64520%0.201SC*.Hα-helixtrans-62.2-36.7179.4-73173.8-178.600112.7K940 Q941 W942K940-E944 WeakPolarHBondContact CE-OE1 3.4Å; K940-E944 WeakPolarHBondContact O-CG 3.07Å; K940-E944 PolarHBondContact O-N 3.22Å; Q941-E944 PolarHBondContact O-N 2.93Å; W942-E944 PolarHBondContact O-N 3.49Å
945K94.5Very high94.5Very high114 Ų11441.8 Ų41.850%0.49621%0.213SC..Hα-helixtrans-84.1-40.6-176-173.4168-179.4161.20113.5F929 L931 Q941 W942 Q943F929-K945 PolarHBondContact O-NZ 3.43Å; L931-K945 HydrophobicContact CD2-CD 4.07Å; Q941-K945 WeakPolarHBondContact O-CB 3.35Å; Q941-K945 PolarHBondContact O-N 3.31Å; W942-K945 PolarHBondContact O-N 2.97Å; Q943-K945 VanDerWaalsContact C-N 3.31Å; Q943-K945 PolarHBondContact O-N 3.47Å
946F93.8Very high94.3Very high34 Ų3449.4 Ų49.415%0.14925%0.245CC..Hα-helixtrans-116-14.7-169.3-57.8-62000114.4M909 F929 W942 A948M909-F946 HydrophobicContact CB-CD1 3.88Å; M909-F946 HydrophobicContact CB-CE1 4.15Å; M909-F946 HydrophobicContact CE-CB 3.86Å; M909-F946 HydrophobicContact CE-CD1 4.03Å; M909-F946 HydrophobicContact CE-CD2 3.89Å; M909-F946 HydrophobicContact CE-CE2 4.43Å; M909-F946 HydrophobicContact CE-CG 3.66Å; M909-F946 HydrophobicContact CG-CD1 4.24Å; M909-F946 HydrophobicContact CG-CE1 4.19Å; F929-F946 HydrophobicContact CB-CZ 4.37Å; F929-F946 HydrophobicContact CD1-CE2 4.39Å; F929-F946 AromaticContact CD1-CZ 3.61Å; F929-F946 HydrophobicContact CD1-CZ 3.61Å; F929-F946 HydrophobicContact CD2-CE2 4.18Å; F929-F946 HydrophobicContact CD2-CZ 4.17Å; F929-F946 HydrophobicContact CE1-CE1 4.4Å; F929-F946 AromaticContact CE1-CZ 3.76Å; F929-F946 HydrophobicContact CE1-CZ 3.76Å; F929-F946 HydrophobicContact CE2-CE2 4.43Å; F929-F946 HydrophobicContact CE2-CZ 4.33Å; F929-F946 HydrophobicContact CG-CE2 4.14Å; F929-F946 AromaticContact CG-CZ 3.8Å; F929-F946 HydrophobicContact CG-CZ 3.8Å; F929-F946 HydrophobicContact CZ-CZ 4.1Å; W942-F946 AromaticContact CD2-CD2 3.78Å; W942-F946 HydrophobicContact CD2-CD2 3.78Å; W942-F946 HydrophobicContact CD2-CE2 4.14Å; W942-F946 AromaticContact CE2-CD2 3.9Å; W942-F946 HydrophobicContact CE3-CD2 4.13Å; W942-F946 AromaticContact CE3-CE2 3.99Å; W942-F946 HydrophobicContact CE3-CE2 3.99Å; W942-F946 HydrophobicContact CG-CD2 4.08Å; W942-F946 HydrophobicContact CZ2-CD2 4.35Å; W942-F946 HydrophobicContact CZ3-CE2 4.18Å; W942-F946 PolarHBondContact O-N 2.99Å; F946-A948 HydrophobicContact CB-CB 3.86Å; F946-A948 PolarHBondContact O-N 3.28Å
947A92.5Very high94.2Very high41 Ų4151.5 Ų51.534%0.33925%0.251SS..  trans48.438.4-171.600000112.4Q943Q943-A947 VanDerWaalsContact O-CA 3.29Å; Q943-A947 WeakPolarHBondContact O-CA 3.46Å; Q943-A947 PolarHBondContact O-N 2.92Å
948A93.9Very high94.2Very high0 Ų049 Ų490%024%0.236CC..  trans-126.8133.3-170.500000109.3M909 R912 P913 W942 Q943 F946M909-A948 HydrophobicContact CE-CB 4.25Å; R912-A948 HydrophobicContact CB-CB 4.39Å; P913-A948 WeakPolarHBondContact O-CB 3.38Å; W942-A948 PolarHBondContact NE1-O 2.98Å; Q943-A948 PolarHBondContact NE2-O 3.36Å; F946-A948 HydrophobicContact CB-CB 3.86Å; F946-A948 PolarHBondContact O-N 3.28Å
949P95.9Very high94.2Very high35 Ų3549 Ų4923%0.22724%0.235CC..  trans-62.6147.6179.8-20.432.4000112.8L914 V915 F962 L1001L914-P949 HydrophobicContact CB-CB 4.21Å; L914-P949 HydrophobicContact CB-CG 4.42Å; L914-P949 HydrophobicContact CD1-CB 3.74Å; L914-P949 HydrophobicContact CD1-CG 4.24Å; L914-P949 HydrophobicContact CG-CB 3.83Å; L914-P949 HydrophobicContact CG-CG 4.48Å; V915-P949 PolarHBondContact N-O 3.29Å; P949-F962 CarbonylContact C-O 3.59Å; P949-F962 VanDerWaalsContact CA-O 3.26Å; P949-F962 WeakPolarHBondContact CA-O 3.39Å; P949-L1001 HydrophobicContact CB-CD2 4.35Å
950L97.4Very high94.4Very high0 Ų052.2 Ų52.20%025%0.248CC..EExtended strand (participates in β ladder)trans-133.1133.1179.5178.167000110.7V915 L917 L938 W942 V952 Y961 F962V915-L950 HydrophobicContact CB-CD1 4.19Å; V915-L950 HydrophobicContact CG1-CD1 4.14Å; V915-L950 CarbonylContact O-C 3.58Å; V915-L950 WeakPolarHBondContact O-CA 3.25Å; L917-L950 HydrophobicContact CD1-CD1 3.96Å; L917-L950 HydrophobicContact CG-CD1 4.22Å; L938-L950 HydrophobicContact CG-CD2 4.41Å; W942-L950 HydrophobicContact CB-CD2 4.08Å; W942-L950 HydrophobicContact CD2-CB 4.49Å; W942-L950 HydrophobicContact CD2-CD1 4.32Å; W942-L950 HydrophobicContact CD2-CD2 3.98Å; W942-L950 HydrophobicContact CD2-CG 4.49Å; W942-L950 HydrophobicContact CE3-CD2 4.32Å; W942-L950 HydrophobicContact CG-CB 4.14Å; W942-L950 HydrophobicContact CG-CD2 3.87Å; W942-L950 HydrophobicContact CG-CG 4.48Å; W942-L950 HydrophobicContact CZ2-CD1 4.24Å; L950-V952 HydrophobicContact CD1-CG2 4.29Å; L950-V952 HydrophobicContact CD2-CG2 3.81Å; L950-V952 HydrophobicContact CG-CG2 3.87Å; L950-Y961 CarbonylContact O-C 3.5Å; L950-Y961 VanDerWaalsContact O-CA 3.32Å; L950-Y961 WeakPolarHBondContact O-CA 3.34Å; L950-F962 HydrophobicContact CB-CB 4.41Å; L950-F962 HydrophobicContact CB-CD2 4.34Å; L950-F962 HydrophobicContact CD2-CD2 4.26Å; L950-F962 HydrophobicContact CG-CD2 4.41Å; L950-F962 PolarHBondContact N-O 3.44Å; L950-F962 PolarHBondContact O-N 3.49Å
951I97.7Very high94.6Very high0 Ų047 Ų470%023%0.225CC..EExtended strand (participates in β ladder)trans-113.9129.6167.1-59.4170.3000108.2L914 V915 L917 R953 A959 W960 V991 L1001 V1005L914-I951 HydrophobicContact CD2-CD1 3.8Å; L914-I951 HydrophobicContact CD2-CG1 4.4Å; V915-I951 PolarHBondContact O-N 2.82Å; L917-I951 PolarHBondContact N-O 3.15Å; I951-R953 HydrophobicContact CG2-CG 4.39Å; I951-A959 HydrophobicContact CG2-CB 4.37Å; I951-W960 CarbonylContact C-O 3.49Å; I951-W960 VanDerWaalsContact CA-O 3.25Å; I951-W960 WeakPolarHBondContact CA-O 3.48Å; I951-V991 HydrophobicContact CD1-CG1 3.92Å; I951-V991 HydrophobicContact CD1-CG2 4.15Å; I951-L1001 HydrophobicContact CD1-CD1 4.17Å; I951-V1005 HydrophobicContact CD1-CG2 3.75Å; I951-V1005 HydrophobicContact CG1-CG2 4.06Å
952V97.3Very high94.7Very high0 Ų044.5 Ų44.50%021%0.213CC..EExtended strand (participates in β ladder)trans-119.7110.3172.8-171.30000109.7L917 A922 I935 L950 L954 A959 W960L917-V952 CarbonylContact O-C 3.58Å; L917-V952 WeakPolarHBondContact O-CA 3.48Å; A922-V952 HydrophobicContact CB-CG1 3.76Å; A922-V952 HydrophobicContact CB-CG2 4.44Å; I935-V952 HydrophobicContact CD1-CG1 3.96Å; I935-V952 HydrophobicContact CG2-CB 4.43Å; L950-V952 HydrophobicContact CD1-CG2 4.29Å; L950-V952 HydrophobicContact CD2-CG2 3.81Å; L950-V952 HydrophobicContact CG-CG2 3.87Å; V952-L954 HydrophobicContact CG1-CD2 3.88Å; V952-L954 HydrophobicContact CG1-CG 4.44Å; V952-A959 WeakPolarHBondContact O-CA 3.37Å; V952-W960 HydrophobicContact CB-CB 4.5Å; V952-W960 PolarHBondContact N-O 2.85Å; V952-W960 PolarHBondContact O-N 3.37Å
953R96.2Very high94.5Very high19 Ų1945.6 Ų45.67%0.07222%0.221CC..EExtended strand (participates in β ladder)trans-81.6124.1178.3-58.7164.7-68.2-169.91.9109.4D892 S916 L917 N918 R919 E921 I951 G984D892-R953 IonicContact OD1-NH2 2.98Å; D892-R953 IonicContact OD2-CZ 3.8Å; D892-R953 IonicContact OD2-NH1 3.64Å; D892-R953 PolarHBondContact OD2-NH1 3.34Å; D892-R953 IonicContact OD2-NH2 2.7Å; D892-R953 PolarHBondContact OD2-NH2 3.13Å; S916-R953 PolarHBondContact OG-NE 2.99Å; L917-R953 PolarHBondContact O-N 3.33Å; L917-R953 PolarHBondContact O-NE 3.39Å; N918-R953 CarbonylContact C-O 3.58Å; N918-R953 WeakPolarHBondContact CA-O 3.35Å; R919-R953 PolarHBondContact N-O 3.02Å; R919-R953 VanDerWaalsContact N-O 3.12Å; E921-R953 IonicContact OE2-NH2 3.73Å; E921-R953 PolarHBondContact OE2-NH2 2.95Å; I951-R953 HydrophobicContact CG2-CG 4.39Å; R953-G984 VanDerWaalsContact NH1-C 3.29Å; R953-G984 PolarHBondContact NH1-O 3.34Å
954L93.9Very high93.9Very high7 Ų750.4 Ų50.44%0.03725%0.247CC..  trans-119.134.2-175.9-60.8-177.6000112.1R919 I935 V952 K956 E957 G958 W960R919-L954 HydrophobicContact CB-CD2 4.1Å; R919-L954 HydrophobicContact CG-CD2 4.24Å; I935-L954 HydrophobicContact CD1-CD2 4.28Å; I935-L954 HydrophobicContact CG1-CD1 4.27Å; I935-L954 HydrophobicContact CG1-CD2 4.26Å; V952-L954 HydrophobicContact CG1-CD2 3.88Å; V952-L954 HydrophobicContact CG1-CG 4.44Å; L954-K956 PolarHBondContact O-N 3.05Å; L954-E957 HydrophobicContact CB-CB 3.9Å; L954-E957 WeakPolarHBondContact O-CB 3.24Å; L954-E957 PolarHBondContact O-N 3.26Å; L954-G958 WeakPolarHBondContact CA-O 3.48Å; L954-G958 PolarHBondContact N-O 3.48Å; L954-W960 VanDerWaalsContact CD1-CD1 3.46Å
955D88.8Confident93.2Very high122 Ų12251.4 Ų51.465%0.65226%0.257SS*.G310 helixtrans55.5-123.7179.2-47.4-56.4000111.8E957 G958D955-E957 PolarHBondContact O-N 2.84Å; D955-E957 VanDerWaalsContact O-N 3.16Å; D955-G958 PolarHBondContact O-N 2.95Å; D955-G958 VanDerWaalsContact O-N 3.12Å
956K88.9Confident92.8Very high184 Ų18448.1 Ų48.180%0.825%0.251SS*.G310 helixtrans-63.6-15.6178.568.6-176.5179.2-174.80114.5L954L954-K956 PolarHBondContact O-N 3.05Å
957E92.2Very high92.7Very high107 Ų10750.1 Ų50.150%0.527%0.269SS..G310 helixtrans-81.7-6.4177.5-65.2166.7-152.800112.2R919 L954 D955R919-E957 IonicContact CZ-OE2 2.62Å; R919-E957 IonicContact NH1-OE2 3.65Å; R919-E957 IonicContact NH2-OE1 3.21Å; R919-E957 PolarHBondContact NH2-OE1 2.97Å; R919-E957 IonicContact NH2-OE2 2.8Å; R919-E957 PolarHBondContact NH2-OE2 3.35Å; L954-E957 HydrophobicContact CB-CB 3.9Å; L954-E957 WeakPolarHBondContact O-CB 3.24Å; L954-E957 PolarHBondContact O-N 3.26Å; D955-E957 PolarHBondContact O-N 2.84Å; D955-E957 VanDerWaalsContact O-N 3.16Å
958G94Very high92.8Very high2 Ų248.9 Ų48.92%0.02126%0.261CS..  trans95.7-154.9-17900000113L954 D955 I970L954-G958 WeakPolarHBondContact CA-O 3.48Å; L954-G958 PolarHBondContact N-O 3.48Å; D955-G958 PolarHBondContact O-N 2.95Å; D955-G958 VanDerWaalsContact O-N 3.12Å; G958-I970 CarbonylContact C-O 3.53Å; G958-I970 WeakPolarHBondContact CA-O 3.33Å
959A97.1Very high92.9Very high0 Ų051.3 Ų51.30%028%0.277CS..EExtended strand (participates in β ladder)trans-133.5127.1-178.700000110.5I951 V952 C969 I970 V1005I951-A959 HydrophobicContact CG2-CB 4.37Å; V952-A959 WeakPolarHBondContact O-CA 3.37Å; A959-C969 WeakPolarHBondContact O-CA 3.48Å; A959-I970 PolarHBondContact N-O 3.33Å; A959-I970 PolarHBondContact O-N 3.39Å; A959-V1005 HydrophobicContact CB-CG1 3.72Å
960W97.7Very high92.9Very high68 Ų6850.9 Ų50.926%0.25827%0.272SS..EExtended strand (participates in β ladder)trans-81.8142168.4-78.483.1000110I935 T936 I951 V952 L954 F962 G968 C969I935-W960 HydrophobicContact CG2-CB 3.98Å; I935-W960 HydrophobicContact CG2-CD2 4.23Å; I935-W960 HydrophobicContact CG2-CG 3.69Å; T936-W960 HydrophobicContact CG2-CE3 4.49Å; T936-W960 HydrophobicContact CG2-CH2 3.63Å; T936-W960 HydrophobicContact CG2-CZ2 3.9Å; T936-W960 HydrophobicContact CG2-CZ3 3.95Å; I951-W960 CarbonylContact C-O 3.49Å; I951-W960 VanDerWaalsContact CA-O 3.25Å; I951-W960 WeakPolarHBondContact CA-O 3.48Å; V952-W960 HydrophobicContact CB-CB 4.5Å; V952-W960 PolarHBondContact N-O 2.85Å; V952-W960 PolarHBondContact O-N 3.37Å; L954-W960 VanDerWaalsContact CD1-CD1 3.46Å; W960-F962 HydrophobicContact CB-CE2 3.71Å; W960-F962 HydrophobicContact CB-CZ 4.05Å; W960-F962 HydrophobicContact CD2-CZ 4.22Å; W960-F962 HydrophobicContact CE3-CE1 4.15Å; W960-F962 AromaticContact CE3-CZ 3.79Å; W960-F962 HydrophobicContact CE3-CZ 3.79Å; W960-F962 HydrophobicContact CG-CE2 4.48Å; W960-F962 HydrophobicContact CG-CZ 4.37Å; W960-G968 CarbonylContact C-O 3.57Å; W960-G968 VanDerWaalsContact CA-O 3.32Å; W960-G968 WeakPolarHBondContact CA-O 3.46Å; W960-C969 HydrophobicContact CD2-CB 3.71Å; W960-C969 HydrophobicContact CE3-CB 4.1Å; W960-C969 HydrophobicContact CG-CB 4.14Å; W960-C969 HydrophobicContact CH2-CB 4.18Å; W960-C969 HydrophobicContact CZ2-CB 3.79Å; W960-C969 HydrophobicContact CZ3-CB 4.32Å
961Y97Very high92.7Very high26 Ų2655.3 Ų55.310%0.10230%0.301CS..EExtended strand (participates in β ladder)trans-126.9145.8168.770.4-85.5000110.1L950 A966 S967 G968 I970 L1001 A1002L950-Y961 CarbonylContact O-C 3.5Å; L950-Y961 VanDerWaalsContact O-CA 3.32Å; L950-Y961 WeakPolarHBondContact O-CA 3.34Å; Y961-A966 HydrophobicContact CE2-CB 4.04Å; Y961-S967 CarbonylContact O-C 3.57Å; Y961-S967 WeakPolarHBondContact O-CA 3.46Å; Y961-S967 WeakPolarHBondContact O-CB 3.36Å; Y961-G968 VanDerWaalsContact CD1-O 3.25Å; Y961-G968 WeakPolarHBondContact CD1-O 3.32Å; Y961-G968 PolarHBondContact N-O 3.3Å; Y961-G968 PolarHBondContact O-N 3.05Å; Y961-I970 HydrophobicContact CD1-CD1 4.4Å; Y961-I970 HydrophobicContact CD1-CG1 3.97Å; Y961-I970 HydrophobicContact CE1-CD1 3.77Å; Y961-I970 HydrophobicContact CE1-CG1 3.86Å; Y961-L1001 HydrophobicContact CD2-CD2 4.07Å; Y961-L1001 HydrophobicContact CD2-CG 4.15Å; Y961-L1001 HydrophobicContact CG-CG 4.46Å; Y961-A1002 HydrophobicContact CE1-CB 3.89Å; Y961-A1002 HydrophobicContact CE2-CB 4.09Å; Y961-A1002 WeakPolarHBondContact OH-CB 3.39Å
962F96.7Very high92.3Very high10 Ų1056.9 Ų56.94%0.04431%0.314CS..EExtended strand (participates in β ladder)trans-134.7127.1177.9-55.9-87.5000108.4I935 Q943 P949 L950 W960I935-F962 HydrophobicContact CG2-CE2 4.22Å; I935-F962 HydrophobicContact CG2-CZ 4.14Å; I935-F962 VanDerWaalsContact O-CZ 3.31Å; I935-F962 WeakPolarHBondContact O-CZ 3.31Å; Q943-F962 HydrophobicContact CG-CB 4.17Å; Q943-F962 PolarHBondContact NE2-O 3.47Å; P949-F962 CarbonylContact C-O 3.59Å; P949-F962 VanDerWaalsContact CA-O 3.26Å; P949-F962 WeakPolarHBondContact CA-O 3.39Å; L950-F962 HydrophobicContact CB-CB 4.41Å; L950-F962 HydrophobicContact CB-CD2 4.34Å; L950-F962 HydrophobicContact CD2-CD2 4.26Å; L950-F962 HydrophobicContact CG-CD2 4.41Å; L950-F962 PolarHBondContact N-O 3.44Å; L950-F962 PolarHBondContact O-N 3.49Å; W960-F962 HydrophobicContact CB-CE2 3.71Å; W960-F962 HydrophobicContact CB-CZ 4.05Å; W960-F962 HydrophobicContact CD2-CZ 4.22Å; W960-F962 HydrophobicContact CE3-CE1 4.15Å; W960-F962 AromaticContact CE3-CZ 3.79Å; W960-F962 HydrophobicContact CE3-CZ 3.79Å; W960-F962 HydrophobicContact CG-CE2 4.48Å; W960-F962 HydrophobicContact CG-CZ 4.37Å
963S91.8Very high92Very high23 Ų2359.1 Ų59.116%0.16132%0.324CS..  trans-144.7175.9174.467.70000109.4D965 A966S963-D965 VanDerWaalsContact C-N 3.27Å; S963-D965 PolarHBondContact O-N 3.3Å; S963-A966 PolarHBondContact N-O 3.15Å; S963-A966 PolarHBondContact OG-N 3.19Å; S963-A966 PolarHBondContact OG-O 2.91Å
964N81.8Confident91.5Very high128 Ų12864.1 Ų64.168%0.68436%0.359SS*.SBendtrans-64.1-33.1176.1-70.2-29.5000112.7Q943Q943-N964 PolarHBondContact OE1-OD1 3.02Å
965D77.3Confident91.2Very high160 Ų16066.8 Ų66.886%0.85638%0.376SS*.SBendtrans-89.4-39.8-172.2-54.7-45.5000112S963S963-D965 VanDerWaalsContact C-N 3.27Å; S963-D965 PolarHBondContact O-N 3.3Å
966A86.1Confident91.1Very high45 Ų4568.8 Ų68.837%0.37238%0.381SS..  trans-151.8154.1-176.500000112.6Y961 S963Y961-A966 HydrophobicContact CE2-CB 4.04Å; S963-A966 PolarHBondContact N-O 3.15Å; S963-A966 PolarHBondContact OG-N 3.19Å; S963-A966 PolarHBondContact OG-O 2.91Å
967S92.6Very high90.9Very high76 Ų7664.7 Ų64.753%0.53137%0.371SS..EExtended strand (participates in β ladder)trans-140.4141.5169.556.70000109.6Y961Y961-S967 CarbonylContact O-C 3.57Å; Y961-S967 WeakPolarHBondContact O-CA 3.46Å; Y961-S967 WeakPolarHBondContact O-CB 3.36Å
968G94.5Very high90.4Very high15 Ų1563.6 Ų63.616%0.15537%0.372CS..EExtended strand (participates in β ladder)trans-172177.5-179.400000112.3W960 Y961W960-G968 CarbonylContact C-O 3.57Å; W960-G968 VanDerWaalsContact CA-O 3.32Å; W960-G968 WeakPolarHBondContact CA-O 3.46Å; Y961-G968 VanDerWaalsContact CD1-O 3.25Å; Y961-G968 WeakPolarHBondContact CD1-O 3.32Å; Y961-G968 PolarHBondContact N-O 3.3Å; Y961-G968 PolarHBondContact O-N 3.05Å
969C95.9Very high89.6Confident50 Ų5064.9 Ų64.934%0.33838%0.378SS..EExtended strand (participates in β ladder)trans-114.1123.9173.2-171.90000109.2A959 W960A959-C969 WeakPolarHBondContact O-CA 3.48Å; W960-C969 HydrophobicContact CD2-CB 3.71Å; W960-C969 HydrophobicContact CE3-CB 4.1Å; W960-C969 HydrophobicContact CG-CB 4.14Å; W960-C969 HydrophobicContact CH2-CB 4.18Å; W960-C969 HydrophobicContact CZ2-CB 3.79Å; W960-C969 HydrophobicContact CZ3-CB 4.32Å
970I95.6Very high88.8Confident27 Ų2769.5 Ų69.514%0.13841%0.406CS..EExtended strand (participates in β ladder)trans-96.2121.8172.6-53.3-57.8000108G958 A959 Y961 A1002 V1005 L1006 N1009G958-I970 CarbonylContact C-O 3.53Å; G958-I970 WeakPolarHBondContact CA-O 3.33Å; A959-I970 PolarHBondContact N-O 3.33Å; A959-I970 PolarHBondContact O-N 3.39Å; Y961-I970 HydrophobicContact CD1-CD1 4.4Å; Y961-I970 HydrophobicContact CD1-CG1 3.97Å; Y961-I970 HydrophobicContact CE1-CD1 3.77Å; Y961-I970 HydrophobicContact CE1-CG1 3.86Å; I970-A1002 HydrophobicContact CD1-CB 4.42Å; I970-V1005 HydrophobicContact CB-CG1 3.95Å; I970-V1005 HydrophobicContact CG1-CB 4.17Å; I970-V1005 HydrophobicContact CG1-CG1 3.8Å; I970-L1006 HydrophobicContact CG2-CB 3.99Å; I970-L1006 HydrophobicContact CG2-CD1 3.53Å; I970-L1006 HydrophobicContact CG2-CG 4.4Å; I970-N1009 PolarHBondContact O-ND2 3.36Å
971P92.7Very high87.9Confident92 Ų9269 Ų6960%0.59741%0.408SS*.PPolyproline II helixtrans-65.3150.9-178.627-34000111.8N1009P971-N1009 PolarHBondContact O-ND2 3.1Å
972A90.7Very high87.2Confident34 Ų3468.3 Ų68.328%0.28141%0.409SS..PPolyproline II helixtrans-71.6150.7172.400000111.3
973F90.1Very high86.7Confident46 Ų4669 Ų6920%0.20242%0.416CS..PPolyproline II helixtrans-77.1134.2171-73.6-96.6000110.1T975 L1006 N1009 A1010 S1013 H1034 V1037F973-T975 PolarHBondContact O-N 3.2Å; F973-L1006 HydrophobicContact CE2-CD1 3.74Å; F973-L1006 HydrophobicContact CE2-CG 4.28Å; F973-L1006 HydrophobicContact CZ-CD1 3.79Å; F973-L1006 HydrophobicContact CZ-CG 4.27Å; F973-N1009 HydrophobicContact CD2-CB 4.09Å; F973-N1009 HydrophobicContact CE2-CB 4.3Å; F973-A1010 HydrophobicContact CD2-CB 3.91Å; F973-A1010 HydrophobicContact CE2-CB 3.71Å; F973-A1010 HydrophobicContact CZ-CB 4.22Å; F973-S1013 WeakPolarHBondContact CB-OG 3.22Å; F973-S1013 PolarHBondContact O-OG 3.18Å; F973-H1034 HydrophobicContact CD1-CB 4.49Å; F973-H1034 AromaticContact CD1-CE1 3.59Å; F973-H1034 AromaticContact CD1-CG 3.79Å; F973-H1034 AromaticContact CD1-ND1 3.44Å; F973-H1034 WeakPolarHBondContact CD1-ND1 3.46Å; F973-H1034 HydrophobicContact CE1-CB 4.22Å; F973-H1034 AromaticContact CE1-ND1 3.99Å; F973-H1034 AromaticContact CG-CE1 3.93Å; F973-V1037 HydrophobicContact CE1-CG2 3.7Å; F973-V1037 HydrophobicContact CE2-CG2 4.06Å; F973-V1037 HydrophobicContact CZ-CG2 3.26Å
974P86.7Confident86.6Confident125 Ų12569 Ų6981%0.81242%0.42SS*.PPolyproline II helixtrans-64.8125.3176.6-19.531.1000111.1
975T87.3Confident87Confident63 Ų6363.8 Ų63.839%0.38739%0.393SS..  trans-145.1157.1176.5-168.30000110.6F973 S1013 V1016F973-T975 PolarHBondContact O-N 3.2Å; T975-S1013 WeakPolarHBondContact CB-OG 3.41Å; T975-S1013 WeakPolarHBondContact CG2-O 3.29Å; T975-S1013 PolarHBondContact OG1-O 2.85Å; T975-V1016 HydrophobicContact CG2-CG1 4.43Å
976Q86.6Confident87.7Confident163 Ų16356.4 Ų56.476%0.76235%0.353SS*.  trans-84.3114.5170.4-178.9177.2-1.100108.6V978 G1017Q976-V978 PolarHBondContact O-N 2.95Å; Q976-G1017 WeakPolarHBondContact O-CA 3.38Å
977V85.3Confident88.2Confident98 Ų9854.4 Ų54.459%0.59434%0.336SS*.  trans-65.6118.1-179.9179.90000110.4T980 V1016V977-T980 HydrophobicContact CG1-CG2 3.88Å; V977-V1016 HydrophobicContact CB-CG1 4.05Å; V977-V1016 HydrophobicContact CG1-CG1 3.77Å; V977-V1016 HydrophobicContact CG2-CG1 3.79Å
978V81.5Confident88.3Confident84 Ų8450.8 Ų50.851%0.50931%0.311SS..SBendtrans-105.2-48.3174.7175.10000110.4Q976 V1016 G1017 R1019Q976-V978 PolarHBondContact O-N 2.95Å; V978-V1016 PolarHBondContact N-O 3.37Å; V978-G1017 VanDerWaalsContact CG2-O 3.28Å; V978-G1017 WeakPolarHBondContact CG2-O 3.45Å; V978-R1019 HydrophobicContact CG1-CB 4.28Å
979D76.1Confident88.3Confident29 Ų2950.1 Ų50.116%0.15530%0.304CS..  trans-153133.6-179.2-165.7-10.1000109.2I981 V1016 H1018 G1020D979-I981 VanDerWaalsContact OD1-CD1 3.32Å; D979-I981 WeakPolarHBondContact OD1-CD1 3.14Å; D979-I981 WeakPolarHBondContact OD1-CG1 3.46Å; D979-I981 PolarHBondContact OD1-N 3.33Å; D979-V1016 PolarHBondContact N-O 3.44Å; D979-V1016 VanDerWaalsContact O-CA 3.25Å; D979-V1016 WeakPolarHBondContact O-CA 3.2Å; D979-H1018 WeakPolarHBondContact CB-O 3.43Å; D979-G1020 PolarHBondContact OD2-N 3.36Å
980T80.4Confident88.3Confident97 Ų9747.7 Ų47.760%0.59529%0.288SS*.  trans-94.4-2.4-177.755.40000113.4V977 G982 A983 V1016V977-T980 HydrophobicContact CG1-CG2 3.88Å; T980-G982 PolarHBondContact O-N 3.41Å; T980-A983 VanDerWaalsContact O-CB 3.27Å; T980-A983 WeakPolarHBondContact O-CB 3.42Å; T980-A983 PolarHBondContact O-N 2.93Å; T980-V1016 HydrophobicContact CG2-CG1 4.41Å
981I79.3Confident88.4Confident58 Ų5846.4 Ų46.430%0.29728%0.281SS..THydrogen-bonded Turntrans-60.1135.1178.8-62166.2000109.8D979 A983 G1021D979-I981 VanDerWaalsContact OD1-CD1 3.32Å; D979-I981 WeakPolarHBondContact OD1-CD1 3.14Å; D979-I981 WeakPolarHBondContact OD1-CG1 3.46Å; D979-I981 PolarHBondContact OD1-N 3.33Å; I981-A983 PolarHBondContact O-N 3.27Å; I981-G1021 WeakPolarHBondContact O-CA 3.16Å
982G81.6Confident88.5Confident12 Ų1242 Ų4212%0.12425%0.253CS..THydrogen-bonded Turntrans732.2177.700000114.8T980 G984 D985 S986T980-G982 PolarHBondContact O-N 3.41Å; G982-G984 VanDerWaalsContact C-N 3.25Å; G982-G984 PolarHBondContact O-N 3.28Å; G982-D985 PolarHBondContact O-N 3.2Å; G982-S986 VanDerWaalsContact O-CB 3.22Å; G982-S986 WeakPolarHBondContact O-CB 3.46Å; G982-S986 PolarHBondContact O-N 3Å; G982-S986 PolarHBondContact O-OG 2.96Å
983A86.5Confident88.5Confident23 Ų2340.6 Ų40.619%0.1924%0.241CC..Hα-helixtrans-56.6-40.9176.100000112.3T980 I981 S986 H987 V1016T980-A983 VanDerWaalsContact O-CB 3.27Å; T980-A983 WeakPolarHBondContact O-CB 3.42Å; T980-A983 PolarHBondContact O-N 2.93Å; I981-A983 PolarHBondContact O-N 3.27Å; A983-S986 WeakPolarHBondContact CA-OG 3.3Å; A983-S986 PolarHBondContact O-OG 2.98Å; A983-H987 WeakPolarHBondContact O-CB 3.36Å; A983-H987 PolarHBondContact O-N 2.94Å; A983-V1016 HydrophobicContact CB-CG2 3.47Å; A983-V1016 VanDerWaalsContact CB-CG2 3.47Å
984G89.6Confident88.5Confident24 Ų2438.4 Ų38.425%0.24723%0.231CC..Hα-helixtrans-67.7-47.9178.100000113R953 G982 H987 A988R953-G984 VanDerWaalsContact NH1-C 3.29Å; R953-G984 PolarHBondContact NH1-O 3.34Å; G982-G984 VanDerWaalsContact C-N 3.25Å; G982-G984 PolarHBondContact O-N 3.28Å; G984-H987 WeakPolarHBondContact O-CB 3.34Å; G984-H987 PolarHBondContact O-N 3.2Å; G984-A988 PolarHBondContact O-N 3.3Å
985D91.6Very high88.7Confident19 Ų1934 Ų3410%0.10220%0.2CC..Hα-helixtrans-63.7-42.8179.3-55.1-30.4000111.2C771 N774 I775 G982 A988 G989C771-D985 WeakPolarHBondContact CA-OD1 3.4Å; C771-D985 VanDerWaalsContact CB-OD1 3.25Å; C771-D985 WeakPolarHBondContact CB-OD1 3.47Å; C771-D985 PolarHBondContact SG-OD1 3.4Å; N774-D985 HydrophobicContact CB-CB 3.61Å; N774-D985 PolarHBondContact ND2-OD2 2.95Å; I775-D985 HydrophobicContact CG1-CB 4.2Å; I775-D985 WeakPolarHBondContact CG1-O 3.23Å; G982-D985 PolarHBondContact O-N 3.2Å; D985-A988 PolarHBondContact O-N 3.27Å; D985-G989 PolarHBondContact O-N 3.44Å
986S91.4Very high88.6Confident4 Ų431.1 Ų31.13%0.02818%0.183CC..Hα-helixtrans-68.5-37.1178.758.80000112.3G982 A983 G989 G990 V1011G982-S986 VanDerWaalsContact O-CB 3.22Å; G982-S986 WeakPolarHBondContact O-CB 3.46Å; G982-S986 PolarHBondContact O-N 3Å; G982-S986 PolarHBondContact O-OG 2.96Å; A983-S986 WeakPolarHBondContact CA-OG 3.3Å; A983-S986 PolarHBondContact O-OG 2.98Å; S986-G989 PolarHBondContact O-N 3.12Å; S986-G990 PolarHBondContact O-N 2.94Å; S986-V1011 VanDerWaalsContact O-CG1 3.26Å; S986-V1011 WeakPolarHBondContact O-CG1 3.2Å
987H95.5Very high88.2Confident4 Ų425 Ų252%0.01916%0.158CC..Hα-helixtrans-58.6-50.6168.3-176.4-76.7000111A983 G984 G989 G990 V991 G1008 N1009 A1012A983-H987 WeakPolarHBondContact O-CB 3.36Å; A983-H987 PolarHBondContact O-N 2.94Å; G984-H987 WeakPolarHBondContact O-CB 3.34Å; G984-H987 PolarHBondContact O-N 3.2Å; H987-G989 VanDerWaalsContact C-N 3.32Å; H987-G989 PolarHBondContact O-N 2.8Å; H987-G990 PolarHBondContact O-N 3.49Å; H987-V991 VanDerWaalsContact CE1-CG2 3.43Å; H987-V991 WeakPolarHBondContact CE1-CG2 3.41Å; H987-V991 WeakPolarHBondContact O-CG2 3.21Å; H987-V991 PolarHBondContact O-N 3.01Å; H987-G1008 WeakPolarHBondContact O-CA 3.3Å; H987-N1009 PolarHBondContact CD2-OD1 2.86Å; H987-N1009 PolarHBondContact NE2-OD1 2.81Å; H987-A1012 HydrophobicContact CB-CB 3.94Å
988A95.8Very high87.5Confident0 Ų022.2 Ų22.20%015%0.149CC..Hα-helixtrans-60.2-41.2178.700000112.1I775 F890 G984 D985 V991 L992I775-A988 HydrophobicContact CD1-CB 3.85Å; I775-A988 HydrophobicContact CG1-CB 4.22Å; F890-A988 HydrophobicContact CE1-CB 3.79Å; F890-A988 HydrophobicContact CZ-CB 3.95Å; G984-A988 PolarHBondContact O-N 3.3Å; D985-A988 PolarHBondContact O-N 3.27Å; A988-V991 PolarHBondContact O-N 3.02Å; A988-L992 WeakPolarHBondContact O-CB 3.21Å; A988-L992 WeakPolarHBondContact O-CG 3.32Å; A988-L992 PolarHBondContact O-N 2.87Å
989G95.3Very high87.5Confident0 Ų021.1 Ų21.10%014%0.14CC..Hα-helixtrans-61.8-40.9174.600000113.1D985 S986 H987 A993D985-G989 PolarHBondContact O-N 3.44Å; S986-G989 PolarHBondContact O-N 3.12Å; H987-G989 VanDerWaalsContact C-N 3.32Å; H987-G989 PolarHBondContact O-N 2.8Å; G989-A993 WeakPolarHBondContact O-CB 3.25Å; G989-A993 PolarHBondContact O-N 2.86Å
990G95.1Very high87.8Confident0 Ų023.4 Ų23.40%016%0.157CC..Hα-helixtrans-65.6-42.117400000113.1S986 H987 A993 G994 L1007S986-G990 PolarHBondContact O-N 2.94Å; H987-G990 PolarHBondContact O-N 3.49Å; G990-A993 PolarHBondContact O-N 3.45Å; G990-G994 PolarHBondContact O-N 3.5Å; G990-L1007 WeakPolarHBondContact O-CD2 3.29Å; G990-L1007 WeakPolarHBondContact O-CG 3.48Å
991V96.7Very high88.3Confident0 Ų020 Ų200%014%0.135CC..Hα-helixtrans-64.5-46.7175.8179.90000111.1F890 I951 H987 A988 A993 G994 L995 A1004 V1005F890-V991 HydrophobicContact CE2-CB 4.04Å; F890-V991 HydrophobicContact CE2-CG1 3.72Å; F890-V991 HydrophobicContact CZ-CB 4.43Å; F890-V991 HydrophobicContact CZ-CG1 4.47Å; I951-V991 HydrophobicContact CD1-CG1 3.92Å; I951-V991 HydrophobicContact CD1-CG2 4.15Å; H987-V991 VanDerWaalsContact CE1-CG2 3.43Å; H987-V991 WeakPolarHBondContact CE1-CG2 3.41Å; H987-V991 WeakPolarHBondContact O-CG2 3.21Å; H987-V991 PolarHBondContact O-N 3.01Å; A988-V991 PolarHBondContact O-N 3.02Å; V991-A993 VanDerWaalsContact C-N 3.29Å; V991-A993 PolarHBondContact O-N 3.48Å; V991-G994 PolarHBondContact O-N 3.39Å; V991-L995 HydrophobicContact CG1-CD1 3.9Å; V991-L995 HydrophobicContact CG1-CG 4.23Å; V991-L995 WeakPolarHBondContact O-CG 3.25Å; V991-L995 PolarHBondContact O-N 3.38Å; V991-A1004 WeakPolarHBondContact CA-O 3.5Å; V991-A1004 HydrophobicContact CG1-CB 4.02Å; V991-V1005 HydrophobicContact CG2-CG2 4.39Å
992L95.6Very high88.9Confident0 Ų018.1 Ų18.10%013%0.128CC..Hα-helixtrans-60.4-39.9176.8-79.5164.2000111.7I775 L779 L861 Y863 F890 A988 L995 A996I775-L992 HydrophobicContact CG2-CD1 3.76Å; L779-L992 HydrophobicContact CD2-CB 3.87Å; L861-L992 HydrophobicContact CB-CD2 4.14Å; L861-L992 HydrophobicContact CD1-CD2 4.37Å; Y863-L992 HydrophobicContact CD2-CD1 4.03Å; Y863-L992 HydrophobicContact CG-CD1 4.22Å; F890-L992 HydrophobicContact CB-CD2 3.82Å; F890-L992 HydrophobicContact CD1-CD1 4.48Å; F890-L992 HydrophobicContact CD2-CD2 3.76Å; F890-L992 HydrophobicContact CD2-CG 3.88Å; F890-L992 HydrophobicContact CE2-CG 4.22Å; F890-L992 HydrophobicContact CG-CD1 4.38Å; F890-L992 HydrophobicContact CG-CD2 3.88Å; F890-L992 HydrophobicContact CG-CG 4.1Å; A988-L992 WeakPolarHBondContact O-CB 3.21Å; A988-L992 WeakPolarHBondContact O-CG 3.32Å; A988-L992 PolarHBondContact O-N 2.87Å; L992-L995 PolarHBondContact O-N 2.87Å; L992-A996 WeakPolarHBondContact O-CB 3.2Å; L992-A996 PolarHBondContact O-N 3.23Å
993A91.5Very high89.3Confident4 Ų421.3 Ų21.33%0.03314%0.142CC..Hα-helixtrans-61.7-45.4174.900000111.6L779 L782 I784 G989 G990 V991 A996 S997 L1007L779-A993 HydrophobicContact CD2-CB 4.01Å; L782-A993 HydrophobicContact CB-CB 4.15Å; L782-A993 HydrophobicContact CD1-CB 3.6Å; I784-A993 HydrophobicContact CG1-CB 4.04Å; G989-A993 WeakPolarHBondContact O-CB 3.25Å; G989-A993 PolarHBondContact O-N 2.86Å; G990-A993 PolarHBondContact O-N 3.45Å; V991-A993 VanDerWaalsContact C-N 3.29Å; V991-A993 PolarHBondContact O-N 3.48Å; A993-A996 PolarHBondContact O-N 3.46Å; A993-S997 WeakPolarHBondContact O-CB 3.42Å; A993-S997 PolarHBondContact O-N 3.41Å; A993-S997 PolarHBondContact O-OG 2.91Å; A993-L1007 HydrophobicContact CB-CD2 4.18Å
994G89.5Confident89.6Confident0 Ų020.2 Ų20.20%013%0.133CC..Hα-helixtrans-61.6-46.6177.600000112.6G990 V991 S997 G998 L999G990-G994 PolarHBondContact O-N 3.5Å; V991-G994 PolarHBondContact O-N 3.39Å; G994-S997 CarbonylContact O-C 3.59Å; G994-S997 VanDerWaalsContact O-C 3.27Å; G994-S997 PolarHBondContact O-N 3.4Å; G994-G998 PolarHBondContact O-N 3.38Å; G994-L999 VanDerWaalsContact O-CB 3.24Å; G994-L999 WeakPolarHBondContact O-CB 3.41Å; G994-L999 WeakPolarHBondContact O-CG 3.2Å; G994-L999 PolarHBondContact O-N 2.94Å
995L90.3Very high89.9Confident32 Ų3219 Ų1917%0.16812%0.121CC..Hα-helixtrans-65.7-38177.4-66.9174.4000112.2L861 L914 V991 L992 S997 G998 L1001 A1004L861-L995 HydrophobicContact CD1-CB 3.51Å; L914-L995 HydrophobicContact CD1-CD1 4.25Å; V991-L995 HydrophobicContact CG1-CD1 3.9Å; V991-L995 HydrophobicContact CG1-CG 4.23Å; V991-L995 WeakPolarHBondContact O-CG 3.25Å; V991-L995 PolarHBondContact O-N 3.38Å; L992-L995 PolarHBondContact O-N 2.87Å; L995-S997 PolarHBondContact O-N 2.92Å; L995-G998 WeakPolarHBondContact O-CA 3.28Å; L995-G998 PolarHBondContact O-N 3.33Å; L995-L1001 HydrophobicContact CD2-CD1 4.48Å; L995-A1004 HydrophobicContact CD2-CB 3.98Å; L995-A1004 HydrophobicContact CG-CB 3.91Å
996A86.4Confident90Very high2 Ų220.6 Ų20.62%0.01713%0.129CC..Hα-helixtrans-62.1-37.8176.100000111.6A733 V735 I784 L861 L992 A993 G998A733-A996 PolarHBondContact N-O 3.06Å; A733-A996 VanDerWaalsContact N-O 3.14Å; V735-A996 HydrophobicContact CG2-CB 3.43Å; V735-A996 VanDerWaalsContact CG2-CB 3.43Å; I784-A996 HydrophobicContact CD1-CB 4.07Å; I784-A996 HydrophobicContact CG1-CB 4.34Å; I784-A996 HydrophobicContact CG2-CB 4.07Å; L861-A996 HydrophobicContact CD1-CB 4.2Å; L992-A996 WeakPolarHBondContact O-CB 3.2Å; L992-A996 PolarHBondContact O-N 3.23Å; A993-A996 PolarHBondContact O-N 3.46Å; A996-G998 PolarHBondContact O-N 2.88Å
997S76.7Confident90.1Very high34 Ų3421.7 Ų21.724%0.23814%0.135CC..THydrogen-bonded Turntrans-82.722.7170.1-57.10000113.2H547 A993 G994 L995 L999H547-S997 VanDerWaalsContact CB-O 3.26Å; H547-S997 WeakPolarHBondContact CB-O 3.44Å; H547-S997 PolarHBondContact CD2-O 2.99Å; H547-S997 PolarHBondContact CE1-O 2.89Å; H547-S997 VanDerWaalsContact CG-C 3.5Å; H547-S997 PolarHBondContact ND1-O 2.9Å; H547-S997 PolarHBondContact NE2-O 2.9Å; A993-S997 WeakPolarHBondContact O-CB 3.42Å; A993-S997 PolarHBondContact O-N 3.41Å; A993-S997 PolarHBondContact O-OG 2.91Å; G994-S997 CarbonylContact O-C 3.59Å; G994-S997 VanDerWaalsContact O-C 3.27Å; G994-S997 PolarHBondContact O-N 3.4Å; L995-S997 PolarHBondContact O-N 2.92Å; S997-L999 PolarHBondContact O-N 3.5Å
998G72Confident90.1Very high40 Ų4021.5 Ų21.541%0.41213%0.134SC..THydrogen-bonded Turntrans62.315.6172.100000116.4G994 L995 A996G994-G998 PolarHBondContact O-N 3.38Å; L995-G998 WeakPolarHBondContact O-CA 3.28Å; L995-G998 PolarHBondContact O-N 3.33Å; A996-G998 PolarHBondContact O-N 2.88Å
999L80.5Confident90.1Very high61 Ų6122 Ų2232%0.31914%0.137SC..  trans-68.5143.6177.8-63.3-177.4000111G994 S997 D1003G994-L999 VanDerWaalsContact O-CB 3.24Å; G994-L999 WeakPolarHBondContact O-CB 3.41Å; G994-L999 WeakPolarHBondContact O-CG 3.2Å; G994-L999 PolarHBondContact O-N 2.94Å; S997-L999 PolarHBondContact O-N 3.5Å; L999-D1003 HydrophobicContact CB-CB 4.12Å; L999-D1003 HydrophobicContact CD1-CB 4.29Å
1000P83Confident90Very high78 Ų7822 Ų2251%0.50614%0.137SC..  trans-54.2151.3166.4-2333000111.4A1002 D1003 A1004P1000-A1002 PolarHBondContact O-N 3.22Å; P1000-D1003 WeakPolarHBondContact CD-OD2 3.25Å; P1000-D1003 PolarHBondContact O-N 3.28Å; P1000-A1004 PolarHBondContact O-N 2.76Å
1001L90.8Very high90Very high24 Ų2422 Ų2213%0.12614%0.137CC..Hα-helixtrans-53.9-36.6-175.9-179.658.1000113.3L914 P949 I951 Y961 L995 D1003 A1004 V1005L914-L1001 HydrophobicContact CD1-CD1 3.68Å; L914-L1001 HydrophobicContact CD1-CD2 4.33Å; P949-L1001 HydrophobicContact CB-CD2 4.35Å; I951-L1001 HydrophobicContact CD1-CD1 4.17Å; Y961-L1001 HydrophobicContact CD2-CD2 4.07Å; Y961-L1001 HydrophobicContact CD2-CG 4.15Å; Y961-L1001 HydrophobicContact CG-CG 4.46Å; L995-L1001 HydrophobicContact CD2-CD1 4.48Å; L1001-D1003 PolarHBondContact O-N 2.9Å; L1001-A1004 PolarHBondContact O-N 2.81Å; L1001-V1005 HydrophobicContact CD1-CG2 4.13Å; L1001-V1005 HydrophobicContact CG-CG2 4.45Å; L1001-V1005 WeakPolarHBondContact O-CB 3.38Å; L1001-V1005 WeakPolarHBondContact O-CG2 3.48Å; L1001-V1005 PolarHBondContact O-N 2.83Å
1002A91.1Very high89.8Confident19 Ų1922.8 Ų22.816%0.15714%0.143CC..Hα-helixtrans-60.2-44.8177.300000112.5Y961 I970 P1000 V1005 L1006Y961-A1002 HydrophobicContact CE1-CB 3.89Å; Y961-A1002 HydrophobicContact CE2-CB 4.09Å; Y961-A1002 WeakPolarHBondContact OH-CB 3.39Å; I970-A1002 HydrophobicContact CD1-CB 4.42Å; P1000-A1002 PolarHBondContact O-N 3.22Å; A1002-V1005 PolarHBondContact O-N 2.93Å; A1002-L1006 PolarHBondContact O-N 2.8Å
1003D90.6Very high89.6Confident79 Ų7923.2 Ų23.242%0.42215%0.146SC..Hα-helixtrans-75.9-34.8-178.6-60.7-39.6000111L999 P1000 L1001 V1005 L1006 L1007L999-D1003 HydrophobicContact CB-CB 4.12Å; L999-D1003 HydrophobicContact CD1-CB 4.29Å; P1000-D1003 WeakPolarHBondContact CD-OD2 3.25Å; P1000-D1003 PolarHBondContact O-N 3.28Å; L1001-D1003 PolarHBondContact O-N 2.9Å; D1003-V1005 VanDerWaalsContact C-N 3.3Å; D1003-V1005 PolarHBondContact O-N 3.02Å; D1003-L1006 WeakPolarHBondContact O-CB 3.25Å; D1003-L1006 PolarHBondContact O-N 3.23Å; D1003-L1007 PolarHBondContact O-N 3.43Å
1004A92.8Very high89.7Confident0 Ų025.2 Ų25.20%015%0.152CC..Hα-helixtrans-61.6-38.8170.400000111.9V991 L995 P1000 L1001 L1007 G1008V991-A1004 WeakPolarHBondContact CA-O 3.5Å; V991-A1004 HydrophobicContact CG1-CB 4.02Å; L995-A1004 HydrophobicContact CD2-CB 3.98Å; L995-A1004 HydrophobicContact CG-CB 3.91Å; P1000-A1004 PolarHBondContact O-N 2.76Å; L1001-A1004 PolarHBondContact O-N 2.81Å; A1004-L1007 PolarHBondContact O-N 3.4Å; A1004-G1008 PolarHBondContact O-N 2.98Å
1005V95.9Very high89.7Confident0 Ų025.2 Ų25.20%015%0.152CC..Hα-helixtrans-68.9-36.2173.9173.30000111.8I951 A959 I970 V991 L1001 A1002 D1003 L1007 G1008 N1009I951-V1005 HydrophobicContact CD1-CG2 3.75Å; I951-V1005 HydrophobicContact CG1-CG2 4.06Å; A959-V1005 HydrophobicContact CB-CG1 3.72Å; I970-V1005 HydrophobicContact CB-CG1 3.95Å; I970-V1005 HydrophobicContact CG1-CB 4.17Å; I970-V1005 HydrophobicContact CG1-CG1 3.8Å; V991-V1005 HydrophobicContact CG2-CG2 4.39Å; L1001-V1005 HydrophobicContact CD1-CG2 4.13Å; L1001-V1005 HydrophobicContact CG-CG2 4.45Å; L1001-V1005 WeakPolarHBondContact O-CB 3.38Å; L1001-V1005 WeakPolarHBondContact O-CG2 3.48Å; L1001-V1005 PolarHBondContact O-N 2.83Å; A1002-V1005 PolarHBondContact O-N 2.93Å; D1003-V1005 VanDerWaalsContact C-N 3.3Å; D1003-V1005 PolarHBondContact O-N 3.02Å; V1005-L1007 VanDerWaalsContact C-N 3.35Å; V1005-G1008 PolarHBondContact O-N 3.07Å; V1005-N1009 PolarHBondContact O-N 2.96Å
1006L94.2Very high89.6Confident52 Ų5224.6 Ų24.627%0.27215%0.15SC..Hα-helixtrans-59.7-45.3171.7-175.272.1000111.6I970 F973 A1002 D1003 N1009 A1010I970-L1006 HydrophobicContact CG2-CB 3.99Å; I970-L1006 HydrophobicContact CG2-CD1 3.53Å; I970-L1006 HydrophobicContact CG2-CG 4.4Å; F973-L1006 HydrophobicContact CE2-CD1 3.74Å; F973-L1006 HydrophobicContact CE2-CG 4.28Å; F973-L1006 HydrophobicContact CZ-CD1 3.79Å; F973-L1006 HydrophobicContact CZ-CG 4.27Å; A1002-L1006 PolarHBondContact O-N 2.8Å; D1003-L1006 WeakPolarHBondContact O-CB 3.25Å; D1003-L1006 PolarHBondContact O-N 3.23Å; L1006-N1009 PolarHBondContact O-N 3.37Å; L1006-A1010 PolarHBondContact O-N 3.37Å
1007L93.7Very high89.6Confident26 Ų2625.4 Ų25.414%0.13616%0.159CC..Hα-helixtrans-62.5-44.2174.3-179.357000111.3G990 A993 D1003 A1004 V1005 N1009 A1010 V1011 L1030 V1037G990-L1007 WeakPolarHBondContact O-CD2 3.29Å; G990-L1007 WeakPolarHBondContact O-CG 3.48Å; A993-L1007 HydrophobicContact CB-CD2 4.18Å; D1003-L1007 PolarHBondContact O-N 3.43Å; A1004-L1007 PolarHBondContact O-N 3.4Å; V1005-L1007 VanDerWaalsContact C-N 3.35Å; L1007-N1009 VanDerWaalsContact C-N 3.34Å; L1007-N1009 PolarHBondContact O-N 3.17Å; L1007-A1010 PolarHBondContact O-N 3.18Å; L1007-A1010 VanDerWaalsContact O-N 3.16Å; L1007-V1011 HydrophobicContact CD1-CG2 4Å; L1007-V1011 HydrophobicContact CG-CG2 4.36Å; L1007-V1011 VanDerWaalsContact O-CG2 3.24Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.44Å; L1007-V1011 PolarHBondContact O-N 2.71Å; L1007-L1030 HydrophobicContact CD1-CD2 3.42Å; L1007-L1030 VanDerWaalsContact CD1-CD2 3.42Å; L1007-V1037 HydrophobicContact CD1-CG1 3.81Å
1008G95.5Very high90Very high0 Ų027.5 Ų27.50%017%0.165CC..Hα-helixtrans-53.1-47.7172.600000113.1H987 A1004 V1005 A1010 V1011 A1012H987-G1008 WeakPolarHBondContact O-CA 3.3Å; A1004-G1008 PolarHBondContact O-N 2.98Å; V1005-G1008 PolarHBondContact O-N 3.07Å; G1008-A1010 PolarHBondContact O-N 3Å; G1008-V1011 PolarHBondContact O-N 3.21Å; G1008-A1012 VanDerWaalsContact O-CB 3.29Å; G1008-A1012 WeakPolarHBondContact O-CB 3.49Å; G1008-A1012 PolarHBondContact O-N 3Å
1009N95.1Very high90.2Very high12 Ų1235.6 Ų35.66%0.06418%0.183CC..Hα-helixtrans-62.6-40.1176.7-77.8-6000112.7I970 P971 F973 H987 V1005 L1006 L1007 S1013I970-N1009 PolarHBondContact O-ND2 3.36Å; P971-N1009 PolarHBondContact O-ND2 3.1Å; F973-N1009 HydrophobicContact CD2-CB 4.09Å; F973-N1009 HydrophobicContact CE2-CB 4.3Å; H987-N1009 PolarHBondContact CD2-OD1 2.86Å; H987-N1009 PolarHBondContact NE2-OD1 2.81Å; V1005-N1009 PolarHBondContact O-N 2.96Å; L1006-N1009 PolarHBondContact O-N 3.37Å; L1007-N1009 VanDerWaalsContact C-N 3.34Å; L1007-N1009 PolarHBondContact O-N 3.17Å; N1009-S1013 WeakPolarHBondContact O-CB 3.39Å; N1009-S1013 PolarHBondContact O-N 2.94Å
1010A93.8Very high89.8Confident0 Ų033.6 Ų33.60%018%0.176CC..Hα-helixtrans-66.4-45.4179.500000111.6F973 L1006 L1007 G1008 S1013 W1014 L1030 V1037F973-A1010 HydrophobicContact CD2-CB 3.91Å; F973-A1010 HydrophobicContact CE2-CB 3.71Å; F973-A1010 HydrophobicContact CZ-CB 4.22Å; L1006-A1010 PolarHBondContact O-N 3.37Å; L1007-A1010 PolarHBondContact O-N 3.18Å; L1007-A1010 VanDerWaalsContact O-N 3.16Å; G1008-A1010 PolarHBondContact O-N 3Å; A1010-S1013 PolarHBondContact O-N 3.26Å; A1010-W1014 PolarHBondContact O-N 2.92Å; A1010-L1030 HydrophobicContact CB-CD1 4.06Å; A1010-V1037 HydrophobicContact CB-CB 4.42Å; A1010-V1037 HydrophobicContact CB-CG1 3.94Å; A1010-V1037 HydrophobicContact CB-CG2 3.82Å
1011V94.1Very high89.1Confident0 Ų030.3 Ų30.30%016%0.157CC..Hα-helixtrans-64.9-44.4178.2177.50000110.5L782 S986 L1007 G1008 W1014 V1015 P1025 L1030L782-V1011 HydrophobicContact CD1-CG2 3.96Å; L782-V1011 HydrophobicContact CD2-CG2 4.26Å; S986-V1011 VanDerWaalsContact O-CG1 3.26Å; S986-V1011 WeakPolarHBondContact O-CG1 3.2Å; L1007-V1011 HydrophobicContact CD1-CG2 4Å; L1007-V1011 HydrophobicContact CG-CG2 4.36Å; L1007-V1011 VanDerWaalsContact O-CG2 3.24Å; L1007-V1011 WeakPolarHBondContact O-CG2 3.44Å; L1007-V1011 PolarHBondContact O-N 2.71Å; G1008-V1011 PolarHBondContact O-N 3.21Å; V1011-W1014 WeakPolarHBondContact O-CB 3.47Å; V1011-W1014 PolarHBondContact O-N 3.12Å; V1011-V1015 PolarHBondContact O-N 3.28Å; V1011-P1025 HydrophobicContact CG1-CG 4.47Å; V1011-L1030 HydrophobicContact CG2-CD1 4.2Å; V1011-L1030 HydrophobicContact CG2-CD2 4.3Å
1012A93.1Very high88.2Confident15 Ų1531.6 Ų31.612%0.12416%0.164CC..Hα-helixtrans-63.6-41.7176.300000112.4H987 G1008 W1014 V1015 V1016H987-A1012 HydrophobicContact CB-CB 3.94Å; G1008-A1012 VanDerWaalsContact O-CB 3.29Å; G1008-A1012 WeakPolarHBondContact O-CB 3.49Å; G1008-A1012 PolarHBondContact O-N 3Å; A1012-W1014 VanDerWaalsContact C-N 3.31Å; A1012-W1014 PolarHBondContact O-N 3.49Å; A1012-V1015 PolarHBondContact O-N 2.81Å; A1012-V1016 WeakPolarHBondContact O-CB 3.49Å; A1012-V1016 WeakPolarHBondContact O-CG2 3.38Å; A1012-V1016 PolarHBondContact O-N 3.04Å
1013S91.9Very high87.7Confident10 Ų1031.7 Ų31.77%0.0716%0.163CC..Hα-helixtrans-59.4-40.7174.9168.20000112.4F973 T975 N1009 A1010 G1017F973-S1013 WeakPolarHBondContact CB-OG 3.22Å; F973-S1013 PolarHBondContact O-OG 3.18Å; T975-S1013 WeakPolarHBondContact CB-OG 3.41Å; T975-S1013 WeakPolarHBondContact CG2-O 3.29Å; T975-S1013 PolarHBondContact OG1-O 2.85Å; N1009-S1013 WeakPolarHBondContact O-CB 3.39Å; N1009-S1013 PolarHBondContact O-N 2.94Å; A1010-S1013 PolarHBondContact O-N 3.26Å; S1013-G1017 PolarHBondContact O-N 2.94Å; S1013-G1017 VanDerWaalsContact O-N 3.16Å
1014W92.5Very high87.5Confident45 Ų4528.1 Ų28.117%0.1714%0.144CC..Hα-helixtrans-63.1-50.7174.2-179.3-78.2000111.5A1010 V1011 A1012 V1016 G1017 H1018 C1023 P1025 E1029 A1033A1010-W1014 PolarHBondContact O-N 2.92Å; V1011-W1014 WeakPolarHBondContact O-CB 3.47Å; V1011-W1014 PolarHBondContact O-N 3.12Å; A1012-W1014 VanDerWaalsContact C-N 3.31Å; A1012-W1014 PolarHBondContact O-N 3.49Å; W1014-V1016 VanDerWaalsContact C-N 3.31Å; W1014-V1016 PolarHBondContact O-N 3.05Å; W1014-G1017 WeakPolarHBondContact O-CA 3.39Å; W1014-G1017 PolarHBondContact O-N 3.3Å; W1014-H1018 AromaticContact CD1-CE1 3.91Å; W1014-H1018 AromaticContact CD1-ND1 3.64Å; W1014-H1018 AromaticContact CD2-CE1 3.79Å; W1014-H1018 AromaticContact CE2-CE1 3.32Å; W1014-H1018 AromaticContact CE2-ND1 3.86Å; W1014-H1018 AromaticContact CE2-NE2 3.99Å; W1014-H1018 AromaticContact CZ2-CE1 3.62Å; W1014-H1018 AromaticContact CZ2-NE2 3.91Å; W1014-H1018 AromaticContact NE1-CE1 3.42Å; W1014-H1018 PolarHBondContact NE1-CE1 3.01Å; W1014-H1018 AromaticContact NE1-ND1 3.49Å; W1014-H1018 PolarHBondContact NE1-ND1 3.37Å; W1014-H1018 PolarHBondContact O-N 3.12Å; W1014-H1018 PolarHBondContact O-ND1 3.48Å; W1014-C1023 PolarHBondContact NE1-O 2.97Å; W1014-P1025 HydrophobicContact CB-CB 4.35Å; W1014-P1025 HydrophobicContact CB-CG 3.83Å; W1014-P1025 VanDerWaalsContact CD1-CD 3.45Å; W1014-P1025 HydrophobicContact CD2-CB 3.66Å; W1014-P1025 HydrophobicContact CD2-CG 4.16Å; W1014-P1025 HydrophobicContact CE3-CB 4.24Å; W1014-P1025 HydrophobicContact CG-CB 3.66Å; W1014-P1025 HydrophobicContact CG-CG 3.66Å; W1014-P1025 HydrophobicContact CZ2-CB 4.44Å; W1014-E1029 HydrophobicContact CH2-CB 3.61Å; W1014-E1029 HydrophobicContact CH2-CG 4.07Å; W1014-E1029 HydrophobicContact CZ2-CB 3.83Å; W1014-E1029 HydrophobicContact CZ2-CG 4.1Å; W1014-E1029 HydrophobicContact CZ3-CB 4.1Å; W1014-E1029 VanDerWaalsContact CZ3-O 3.31Å; W1014-E1029 WeakPolarHBondContact CZ3-O 3.42Å; W1014-A1033 HydrophobicContact CE3-CB 3.67Å; W1014-A1033 HydrophobicContact CZ3-CB 3.54Å
1015V89.6Confident87.4Confident0 Ų028.1 Ų28.10%014%0.144CC..Hα-helixtrans-60-44-178.7168.60000111.2V1011 A1012 G1017 H1018 A1024V1011-V1015 PolarHBondContact O-N 3.28Å; A1012-V1015 PolarHBondContact O-N 2.81Å; V1015-G1017 PolarHBondContact O-N 3.37Å; V1015-H1018 PolarHBondContact O-N 3.31Å; V1015-A1024 HydrophobicContact CG2-CB 4.2Å
1016V87.8Confident87.1Confident19 Ų1930.2 Ų30.212%0.11516%0.157CC..Hα-helixtrans-64.7-24.9178.6175.80000112.6T975 V977 V978 D979 T980 A983 A1012 W1014 H1018T975-V1016 HydrophobicContact CG2-CG1 4.43Å; V977-V1016 HydrophobicContact CB-CG1 4.05Å; V977-V1016 HydrophobicContact CG1-CG1 3.77Å; V977-V1016 HydrophobicContact CG2-CG1 3.79Å; V978-V1016 PolarHBondContact N-O 3.37Å; D979-V1016 PolarHBondContact N-O 3.44Å; D979-V1016 VanDerWaalsContact O-CA 3.25Å; D979-V1016 WeakPolarHBondContact O-CA 3.2Å; T980-V1016 HydrophobicContact CG2-CG1 4.41Å; A983-V1016 HydrophobicContact CB-CG2 3.47Å; A983-V1016 VanDerWaalsContact CB-CG2 3.47Å; A1012-V1016 WeakPolarHBondContact O-CB 3.49Å; A1012-V1016 WeakPolarHBondContact O-CG2 3.38Å; A1012-V1016 PolarHBondContact O-N 3.04Å; W1014-V1016 VanDerWaalsContact C-N 3.31Å; W1014-V1016 PolarHBondContact O-N 3.05Å; V1016-H1018 VanDerWaalsContact C-N 3.28Å; V1016-H1018 PolarHBondContact O-N 2.8Å
1017G86.9Confident86.4Confident19 Ų1933 Ų3320%0.19616%0.164CC..THydrogen-bonded Turntrans-78.7-3.917400000115Q976 V978 S1013 W1014 V1015Q976-G1017 WeakPolarHBondContact O-CA 3.38Å; V978-G1017 VanDerWaalsContact CG2-O 3.28Å; V978-G1017 WeakPolarHBondContact CG2-O 3.45Å; S1013-G1017 PolarHBondContact O-N 2.94Å; S1013-G1017 VanDerWaalsContact O-N 3.16Å; W1014-G1017 WeakPolarHBondContact O-CA 3.39Å; W1014-G1017 PolarHBondContact O-N 3.3Å; V1015-G1017 PolarHBondContact O-N 3.37Å
1018H85.3Confident85.6Confident79 Ų7938.4 Ų38.437%0.36619%0.189SC..SBendtrans-126.1169.4-177.7-67.783.7000110.7D979 W1014 V1015 V1016 C1023D979-H1018 WeakPolarHBondContact CB-O 3.43Å; W1014-H1018 AromaticContact CD1-CE1 3.91Å; W1014-H1018 AromaticContact CD1-ND1 3.64Å; W1014-H1018 AromaticContact CD2-CE1 3.79Å; W1014-H1018 AromaticContact CE2-CE1 3.32Å; W1014-H1018 AromaticContact CE2-ND1 3.86Å; W1014-H1018 AromaticContact CE2-NE2 3.99Å; W1014-H1018 AromaticContact CZ2-CE1 3.62Å; W1014-H1018 AromaticContact CZ2-NE2 3.91Å; W1014-H1018 AromaticContact NE1-CE1 3.42Å; W1014-H1018 PolarHBondContact NE1-CE1 3.01Å; W1014-H1018 AromaticContact NE1-ND1 3.49Å; W1014-H1018 PolarHBondContact NE1-ND1 3.37Å; W1014-H1018 PolarHBondContact O-N 3.12Å; W1014-H1018 PolarHBondContact O-ND1 3.48Å; V1015-H1018 PolarHBondContact O-N 3.31Å; V1016-H1018 VanDerWaalsContact C-N 3.28Å; V1016-H1018 PolarHBondContact O-N 2.8Å; H1018-C1023 HydrophobicContact CB-CB 4.14Å; H1018-C1023 VanDerWaalsContact CB-SG 3.52Å
1019R75.5Confident85.2Confident210 Ų21041.4 Ų41.479%0.79220%0.203SC*.SBendtrans-92.9133-178.4-166.4175.7-174.3-177.31.1110.3V978V978-R1019 HydrophobicContact CG1-CB 4.28Å
1020G72.3Confident84.7Confident18 Ų1841.2 Ų41.219%0.18620%0.202CC..SBendtrans84.4159-17700000113.6D979 C1023D979-G1020 PolarHBondContact OD2-N 3.36Å; G1020-C1023 PolarHBondContact O-SG 3.25Å
1021G68.2Low83.9Confident10 Ų1045 Ų4510%0.10322%0.222CC..SBendtrans-89.4-7.5-176.800000116.1I981I981-G1021 WeakPolarHBondContact O-CA 3.16Å
1022D71.9Confident83Confident51 Ų5151.8 Ų51.827%0.27326%0.257SS..SBendtrans-98.923.1-175.967.6-30.1000112.8R804R804-D1022 IonicContact CZ-OD2 3.6Å; R804-D1022 IonicContact NE-OD2 3.69Å; R804-D1022 PolarHBondContact NE-OD2 3.45Å; R804-D1022 IonicContact NH2-OD2 2.95Å; R804-D1022 PolarHBondContact NH2-OD2 2.94Å
1023C80.3Confident82.2Confident21 Ų2153.3 Ų53.314%0.14227%0.27CS..  trans-106.723.5-172.867.60000114.3W1014 H1018 G1020W1014-C1023 PolarHBondContact NE1-O 2.97Å; H1018-C1023 HydrophobicContact CB-CB 4.14Å; H1018-C1023 VanDerWaalsContact CB-SG 3.52Å; G1020-C1023 PolarHBondContact O-SG 3.25Å
1024A88Confident81.3Confident3 Ų354.4 Ų54.43%0.02527%0.274CS..PPolyproline II helixtrans-49138.1176.800000111.1A778 R781 V1015A778-A1024 HydrophobicContact CB-CB 3.8Å; R781-A1024 VanDerWaalsContact CD-O 3.22Å; R781-A1024 WeakPolarHBondContact CD-O 3.32Å; R781-A1024 PolarHBondContact NE-O 2.88Å; R781-A1024 PolarHBondContact NH1-O 2.99Å; R781-A1024 PolarHBondContact NH2-O 3.06Å; V1015-A1024 HydrophobicContact CG2-CB 4.2Å
1025P90.8Very high79.8Confident0 Ų060.7 Ų60.70%030%0.303CS..PPolyproline II helixtrans-68153.5-176.726.3-31.3000112.2R781 V1011 W1014 E1029 L1030R781-P1025 WeakPolarHBondContact CB-O 3.48Å; V1011-P1025 HydrophobicContact CG1-CG 4.47Å; W1014-P1025 HydrophobicContact CB-CB 4.35Å; W1014-P1025 HydrophobicContact CB-CG 3.83Å; W1014-P1025 VanDerWaalsContact CD1-CD 3.45Å; W1014-P1025 HydrophobicContact CD2-CB 3.66Å; W1014-P1025 HydrophobicContact CD2-CG 4.16Å; W1014-P1025 HydrophobicContact CE3-CB 4.24Å; W1014-P1025 HydrophobicContact CG-CB 3.66Å; W1014-P1025 HydrophobicContact CG-CG 3.66Å; W1014-P1025 HydrophobicContact CZ2-CB 4.44Å; P1025-E1029 WeakPolarHBondContact CA-OE2 3.16Å; P1025-E1029 HydrophobicContact CB-CB 3.94Å; P1025-L1030 HydrophobicContact CB-CB 4.29Å; P1025-L1030 HydrophobicContact CB-CD1 4.33Å; P1025-L1030 HydrophobicContact CG-CB 4.29Å; P1025-L1030 HydrophobicContact CG-CD1 3.59Å
1026T88.5Confident78.4Confident44 Ų4468.3 Ų68.327%0.2734%0.343SS..PPolyproline II helixtrans-70.9161.5157.369.50000110.4R781 E1028 E1029 L1030R781-T1026 HydrophobicContact CB-CG2 4.5Å; R781-T1026 VanDerWaalsContact O-CA 3.31Å; R781-T1026 WeakPolarHBondContact O-CA 3.45Å; T1026-E1028 PolarHBondContact O-N 3.12Å; T1026-E1029 PolarHBondContact N-OE2 2.77Å; T1026-E1029 WeakPolarHBondContact O-CB 3.17Å; T1026-E1029 PolarHBondContact O-N 3.32Å; T1026-E1029 VanDerWaalsContact O-N 3.15Å; T1026-E1029 WeakPolarHBondContact OG1-CG 3.2Å; T1026-E1029 PolarHBondContact OG1-N 3.31Å; T1026-E1029 PolarHBondContact OG1-OE2 2.87Å; T1026-L1030 PolarHBondContact O-N 3.15Å
1027R79.8Confident77Confident110 Ų11069.9 Ų69.942%0.41535%0.353SS..Hα-helixtrans-52.5-41.4173.5-172.4174.4177.7-154.6-6.6113.1D585 R781 L1030 L1031D585-R1027 PolarHBondContact O-NH1 2.86Å; D585-R1027 PolarHBondContact O-NH2 2.89Å; R781-R1027 PolarHBondContact O-N 2.82Å; R1027-L1030 PolarHBondContact O-N 3.04Å; R1027-L1031 HydrophobicContact CG-CD1 4.31Å; R1027-L1031 WeakPolarHBondContact O-CG 3.42Å; R1027-L1031 PolarHBondContact O-N 2.88Å; R1027-L1031 VanDerWaalsContact O-N 3.1Å
1028E76.9Confident76.5Confident140 Ų14072.5 Ų72.565%0.65436%0.361SS*.Hα-helixtrans-67.6-41.1178.5-67.6171.7177.900112.2T1026 L1031 L1032T1026-E1028 PolarHBondContact O-N 3.12Å; E1028-L1031 PolarHBondContact O-N 2.66Å; E1028-L1032 WeakPolarHBondContact O-CG 3.34Å; E1028-L1032 PolarHBondContact O-N 3.16Å; E1028-L1032 VanDerWaalsContact O-N 3.09Å
1029E87.3Confident76.1Confident63 Ų6372.1 Ų72.129%0.29436%0.36SS..Hα-helixtrans-62.2-43.2175.7-76.5171.8153.400111.5R781 W1014 P1025 T1026 L1032 A1033R781-E1029 IonicContact CZ-OE2 3.5Å; R781-E1029 IonicContact NH2-OE1 2.64Å; R781-E1029 IonicContact NH2-OE2 2.68Å; R781-E1029 PolarHBondContact NH2-OE2 3.41Å; W1014-E1029 HydrophobicContact CH2-CB 3.61Å; W1014-E1029 HydrophobicContact CH2-CG 4.07Å; W1014-E1029 HydrophobicContact CZ2-CB 3.83Å; W1014-E1029 HydrophobicContact CZ2-CG 4.1Å; W1014-E1029 HydrophobicContact CZ3-CB 4.1Å; W1014-E1029 VanDerWaalsContact CZ3-O 3.31Å; W1014-E1029 WeakPolarHBondContact CZ3-O 3.42Å; P1025-E1029 WeakPolarHBondContact CA-OE2 3.16Å; P1025-E1029 HydrophobicContact CB-CB 3.94Å; T1026-E1029 PolarHBondContact N-OE2 2.77Å; T1026-E1029 WeakPolarHBondContact O-CB 3.17Å; T1026-E1029 PolarHBondContact O-N 3.32Å; T1026-E1029 VanDerWaalsContact O-N 3.15Å; T1026-E1029 WeakPolarHBondContact OG1-CG 3.2Å; T1026-E1029 PolarHBondContact OG1-N 3.31Å; T1026-E1029 PolarHBondContact OG1-OE2 2.87Å; E1029-L1032 PolarHBondContact O-N 3.16Å; E1029-A1033 PolarHBondContact O-N 3.41Å
1030L84.2Confident76.1Confident8 Ų864.4 Ų64.44%0.04234%0.336CS..Hα-helixtrans-63.9-45.9178.5-16379.9000111.6L782 L1007 A1010 V1011 P1025 T1026 R1027 L1032 A1033 H1034 V1037L782-L1030 HydrophobicContact CD2-CD2 4.29Å; L1007-L1030 HydrophobicContact CD1-CD2 3.42Å; L1007-L1030 VanDerWaalsContact CD1-CD2 3.42Å; A1010-L1030 HydrophobicContact CB-CD1 4.06Å; V1011-L1030 HydrophobicContact CG2-CD1 4.2Å; V1011-L1030 HydrophobicContact CG2-CD2 4.3Å; P1025-L1030 HydrophobicContact CB-CB 4.29Å; P1025-L1030 HydrophobicContact CB-CD1 4.33Å; P1025-L1030 HydrophobicContact CG-CB 4.29Å; P1025-L1030 HydrophobicContact CG-CD1 3.59Å; T1026-L1030 PolarHBondContact O-N 3.15Å; R1027-L1030 PolarHBondContact O-N 3.04Å; L1030-L1032 VanDerWaalsContact C-N 3.25Å; L1030-L1032 PolarHBondContact O-N 2.94Å; L1030-A1033 PolarHBondContact O-N 3.24Å; L1030-H1034 PolarHBondContact O-N 2.89Å; L1030-V1037 HydrophobicContact CD2-CG1 3.83Å
1031L76.3Confident76.3Confident80 Ų8067.2 Ų67.242%0.41935%0.345SS..Hα-helixtrans-61.6-33176.9-74.4168.3000112.6R1027 E1028 K1035 V1037R1027-L1031 HydrophobicContact CG-CD1 4.31Å; R1027-L1031 WeakPolarHBondContact O-CG 3.42Å; R1027-L1031 PolarHBondContact O-N 2.88Å; R1027-L1031 VanDerWaalsContact O-N 3.1Å; E1028-L1031 PolarHBondContact O-N 2.66Å; L1031-K1035 WeakPolarHBondContact O-CA 3.42Å; L1031-K1035 PolarHBondContact O-N 3.21Å; L1031-V1037 WeakPolarHBondContact CD2-OXT 3.31Å
1032L76.1Confident76.8Confident142 Ų14270.8 Ų70.874%0.74336%0.36SS*.Hα-helixtrans-70.6-41175.3-78.8163.6000112.3E1028 E1029 L1030E1028-L1032 WeakPolarHBondContact O-CG 3.34Å; E1028-L1032 PolarHBondContact O-N 3.16Å; E1028-L1032 VanDerWaalsContact O-N 3.09Å; E1029-L1032 PolarHBondContact O-N 3.16Å; L1030-L1032 VanDerWaalsContact C-N 3.25Å; L1030-L1032 PolarHBondContact O-N 2.94Å
1033A75.2Confident77.1Confident48 Ų4872.1 Ų72.140%0.39737%0.366SS..Hα-helixtrans-75.5-38.417800000113.3W1014 E1029 L1030W1014-A1033 HydrophobicContact CE3-CB 3.67Å; W1014-A1033 HydrophobicContact CZ3-CB 3.54Å; E1029-A1033 PolarHBondContact O-N 3.41Å; L1030-A1033 PolarHBondContact O-N 3.24Å
1034H73.9Confident76.9Confident33 Ų3375.7 Ų75.715%0.15338%0.382CS..  trans-135.375.9-170.7-59.7-47.4000110.2F973 L1030 N1036 V1037F973-H1034 HydrophobicContact CD1-CB 4.49Å; F973-H1034 AromaticContact CD1-CE1 3.59Å; F973-H1034 AromaticContact CD1-CG 3.79Å; F973-H1034 AromaticContact CD1-ND1 3.44Å; F973-H1034 WeakPolarHBondContact CD1-ND1 3.46Å; F973-H1034 HydrophobicContact CE1-CB 4.22Å; F973-H1034 AromaticContact CE1-ND1 3.99Å; F973-H1034 AromaticContact CG-CE1 3.93Å; L1030-H1034 PolarHBondContact O-N 2.89Å; H1034-N1036 PolarHBondContact O-N 2.8Å; H1034-V1037 HydrophobicContact CB-CB 4.03Å; H1034-V1037 HydrophobicContact CB-CG2 3.63Å; H1034-V1037 PolarHBondContact O-N 2.57Å
1035K61.4Low76.1Confident177 Ų17781.3 Ų81.377%0.7741%0.41SS*.THydrogen-bonded Turntrans-53.7-16.1-177.5-68.8-173.7177.7-175.50116.5L1031L1031-K1035 WeakPolarHBondContact O-CA 3.42Å; L1031-K1035 PolarHBondContact O-N 3.21Å
1036N60.2Low74.8Confident159 Ų15988.1 Ų88.185%0.8544%0.444SS*.THydrogen-bonded Turntrans-101.7-1.6-178.5-60.7-15.7000113H1034H1034-N1036 PolarHBondContact O-N 2.8Å
1037V58.2Low73.6Confident53 Ų5392.1 Ų92.132%0.32146%0.46SS..  trans-95.50170.9179.20000107.2F973 L1007 A1010 L1030 L1031 H1034F973-V1037 HydrophobicContact CE1-CG2 3.7Å; F973-V1037 HydrophobicContact CE2-CG2 4.06Å; F973-V1037 HydrophobicContact CZ-CG2 3.26Å; L1007-V1037 HydrophobicContact CD1-CG1 3.81Å; A1010-V1037 HydrophobicContact CB-CB 4.42Å; A1010-V1037 HydrophobicContact CB-CG1 3.94Å; A1010-V1037 HydrophobicContact CB-CG2 3.82Å; L1030-V1037 HydrophobicContact CD2-CG1 3.83Å; L1031-V1037 WeakPolarHBondContact CD2-OXT 3.31Å; H1034-V1037 HydrophobicContact CB-CB 4.03Å; H1034-V1037 HydrophobicContact CB-CG2 3.63Å; H1034-V1037 PolarHBondContact O-N 2.57Å

Retrieved 1,037 of 1,037 residues in 827.2 ms (Link to these results)

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