A0A077ZEG8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZEG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 129 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
1M50.1Low56.5Low107 Ų10750.6 Ų50.653%0.52723%0.229SC..  0116.90-70.6175.2171.600104.6
2R53.1Low55.9Low157 Ų15757.2 Ų57.259%0.59226%0.257SS*.  trans-78.3129.5-179.9-72.7-177.7-178.6-159.44.5109.1D98R2-D98 WeakPolarHBondContact CD-OD2 3.22Å; R2-D98 IonicContact NE-OD2 3.93Å; R2-D98 IonicContact NH1-OD2 3.62Å
3R56.7Low55.7Low21 Ų2158.9 Ų58.98%0.07927%0.269CS..  trans-104.7116.3173.6-70.1-174.1178178.2-7.1107.5F25 E27 W55 R58 L99R3-F25 HydrophobicContact CB-CD1 4.33Å; R3-F25 HydrophobicContact CG-CD1 4.43Å; R3-E27 IonicContact CZ-OE1 3.67Å; R3-E27 IonicContact NE-OE1 3.8Å; R3-E27 IonicContact NH2-OE1 2.78Å; R3-E27 PolarHBondContact NH2-OE1 2.75Å; R3-W55 VanDerWaalsContact CD-CD1 3.47Å; R3-W55 VanDerWaalsContact NH1-CB 3.31Å; R3-R58 VanDerWaalsContact NH2-NH1 3.11Å; R3-L99 HydrophobicContact CB-CB 4.33Å; R3-L99 HydrophobicContact CB-CD1 4.02Å; R3-L99 VanDerWaalsContact O-CB 3.28Å; R3-L99 WeakPolarHBondContact O-CB 3.22Å; R3-L99 WeakPolarHBondContact O-CG 3.37Å; R3-L99 PolarHBondContact O-N 2.92Å
4H59.8Low55.3Low44 Ų4468.2 Ų68.220%0.20431%0.312CS..EExtended strand (participates in β ladder)trans-93.9153.1172.5-55.989.4000109.6L96 I97 D98H4-L96 HydrophobicContact CB-CD1 3.6Å; H4-L96 HydrophobicContact CB-CD2 4.17Å; H4-L96 HydrophobicContact CB-CG 3.84Å; H4-I97 CarbonylContact C-O 3.51Å; H4-I97 WeakPolarHBondContact CA-O 3.48Å; H4-D98 IonicContact NE2-OD2 3.75Å
5M62.1Low54.9Low0 Ų067.5 Ų67.50%033%0.33CS..EExtended strand (participates in β ladder)trans-122.9124.6173.2164.6176.3170.600106.8L7 V21 V23 L48 L82 I86 L96 I97 L99M5-L7 HydrophobicContact CE-CD1 4.41Å; M5-L7 HydrophobicContact CE-CD2 3.59Å; M5-L7 HydrophobicContact CE-CG 3.96Å; M5-V21 HydrophobicContact CE-CG1 3.4Å; M5-V23 HydrophobicContact CB-CG1 4.04Å; M5-V23 HydrophobicContact CE-CG2 4.23Å; M5-V23 HydrophobicContact CG-CB 4.47Å; M5-V23 HydrophobicContact CG-CG1 3.93Å; M5-V23 HydrophobicContact CG-CG2 4.17Å; M5-V23 HydrophobicContact SD-CG1 4.48Å; M5-V23 HydrophobicContact SD-CG2 4.35Å; M5-L48 HydrophobicContact CE-CD1 4.08Å; M5-L48 HydrophobicContact CE-CD2 3.38Å; M5-L48 HydrophobicContact CE-CG 4.33Å; M5-L48 HydrophobicContact SD-CD2 3.37Å; M5-L48 WeakPolarHBondContact SD-CD2 2.98Å; M5-L82 HydrophobicContact SD-CD1 4.23Å; M5-L82 HydrophobicContact SD-CD2 4.41Å; M5-I86 HydrophobicContact CE-CD1 4.49Å; M5-L96 WeakPolarHBondContact O-CA 3.49Å; M5-I97 HydrophobicContact CB-CB 4.29Å; M5-I97 PolarHBondContact N-O 2.9Å; M5-I97 PolarHBondContact O-N 2.69Å; M5-L99 HydrophobicContact CB-CD1 4.33Å; M5-L99 HydrophobicContact CB-CD2 3.91Å; M5-L99 HydrophobicContact CB-CG 4.07Å; M5-L99 HydrophobicContact SD-CD2 4.03Å
6K61Low54.5Low64 Ų6467.9 Ų67.928%0.27834%0.338SS..EExtended strand (participates in β ladder)trans-98.2121.8177-166.7173.1173.5-173.50109.8H8 N22 E94 G95 L96K6-H8 WeakPolarHBondContact CD-NE2 3.29Å; K6-H8 WeakPolarHBondContact CE-CE1 3.34Å; K6-H8 WeakPolarHBondContact CE-NE2 3.37Å; K6-H8 PolarHBondContact NZ-CE1 3.37Å; K6-N22 CarbonylContact C-O 3.53Å; K6-N22 CarbonylContact O-C 3.44Å; K6-N22 PolarHBondContact O-N 3.21Å; K6-E94 WeakPolarHBondContact CE-OE2 3.41Å; K6-E94 IonicContact NZ-OE2 2.69Å; K6-E94 PolarHBondContact NZ-OE2 3.18Å; K6-G95 WeakPolarHBondContact CA-O 3.01Å; K6-L96 HydrophobicContact CB-CD1 4.35Å
7L59.5Low54.3Low0 Ų068.4 Ų68.40%034%0.341CS..EExtended strand (participates in β ladder)trans-92.9135.1172.1-73.2162.2000108.5M5 V21 I86 M89 E94 G95 I97M5-L7 HydrophobicContact CE-CD1 4.41Å; M5-L7 HydrophobicContact CE-CD2 3.59Å; M5-L7 HydrophobicContact CE-CG 3.96Å; L7-V21 HydrophobicContact CD2-CB 3.83Å; L7-V21 HydrophobicContact CD2-CG1 3.49Å; L7-V21 VanDerWaalsContact CD2-CG1 3.49Å; L7-V21 HydrophobicContact CD2-CG2 3.18Å; L7-V21 HydrophobicContact CG-CG1 4.48Å; L7-I86 HydrophobicContact CD1-CG1 4.09Å; L7-I86 HydrophobicContact CD1-CG2 4.37Å; L7-M89 HydrophobicContact CB-SD 4Å; L7-M89 HydrophobicContact CD1-CG 4.34Å; L7-M89 HydrophobicContact CD1-SD 3.36Å; L7-M89 WeakPolarHBondContact CD1-SD 3.22Å; L7-M89 HydrophobicContact CG-SD 4.28Å; L7-E94 VanDerWaalsContact O-CA 3.29Å; L7-E94 WeakPolarHBondContact O-CA 3.35Å; L7-G95 PolarHBondContact N-O 3.31Å; L7-G95 PolarHBondContact O-N 2.74Å; L7-I97 HydrophobicContact CD1-CD1 3.27Å; L7-I97 HydrophobicContact CD1-CG1 3.9Å; L7-I97 HydrophobicContact CG-CD1 4.36Å
8H57Low54Low43 Ų4368 Ų6820%0.19934%0.338CS..EExtended strand (participates in β ladder)trans-126.9105.7179.4-79.2-101.1000109.8K6 Q20 N22 E94K6-H8 WeakPolarHBondContact CD-NE2 3.29Å; K6-H8 WeakPolarHBondContact CE-CE1 3.34Å; K6-H8 WeakPolarHBondContact CE-NE2 3.37Å; K6-H8 PolarHBondContact NZ-CE1 3.37Å; H8-Q20 CarbonylContact C-O 3.44Å; H8-Q20 VanDerWaalsContact C-O 3.3Å; H8-Q20 PolarHBondContact N-O 3.19Å; H8-Q20 CarbonylContact O-C 3.31Å; H8-Q20 VanDerWaalsContact O-C 3.31Å; H8-Q20 WeakPolarHBondContact O-CB 3.36Å; H8-N22 VanDerWaalsContact CD2-CB 3.48Å; H8-N22 WeakPolarHBondContact CD2-CB 3.41Å; H8-E94 IonicContact CE1-OE1 3.18Å; H8-E94 PolarHBondContact CE1-OE1 3.12Å; H8-E94 IonicContact CE1-OE2 3.85Å; H8-E94 IonicContact CG-OE1 3.84Å; H8-E94 IonicContact ND1-OE1 2.74Å; H8-E94 PolarHBondContact ND1-OE1 3.08Å; H8-E94 IonicContact ND1-OE2 3.99Å
9G54.5Low53.7Low13 Ų1364.9 Ų64.913%0.13432%0.324CS..EExtended strand (participates in β ladder)trans71.674172.900000112.1H11 Q20G9-H11 WeakPolarHBondContact CA-NE2 3.3Å; G9-H11 PolarHBondContact O-CD2 3.13Å; G9-H11 PolarHBondContact O-N 3.35Å; G9-Q20 PolarHBondContact O-N 3.39Å; G9-Q20 VanDerWaalsContact O-N 3.12Å
10V54.4Low53.5Low6 Ų666.7 Ų66.74%0.03633%0.331CS..EExtended strand (participates in β ladder)trans-75.8111.4162.1-172.90000107.4I17 L91 G92V10-I17 HydrophobicContact CG1-CG2 3.59Å; V10-L91 HydrophobicContact CB-CD2 4.16Å; V10-L91 HydrophobicContact CG1-CD2 3.59Å; V10-L91 CarbonylContact O-C 3.3Å; V10-L91 VanDerWaalsContact O-CA 3.3Å; V10-L91 WeakPolarHBondContact O-CA 3.1Å; V10-L91 WeakPolarHBondContact O-CD2 3.47Å; V10-G92 PolarHBondContact O-N 3.49Å
11H53.1Low53.3Low102 Ų10263.5 Ų63.547%0.47232%0.315SS..EExtended strand (participates in β ladder)trans-113.5158.5177.3-57.6-72.4000110.2G9 I17 H18G9-H11 WeakPolarHBondContact CA-NE2 3.3Å; G9-H11 PolarHBondContact O-CD2 3.13Å; G9-H11 PolarHBondContact O-N 3.35Å; H11-I17 CarbonylContact O-C 3.14Å; H11-I17 WeakPolarHBondContact O-CA 3.47Å; H11-H18 CarbonylContact C-O 3.54Å; H11-H18 WeakPolarHBondContact CA-O 3.2Å; H11-H18 WeakPolarHBondContact CB-O 3.5Å; H11-H18 PolarHBondContact N-O 2.9Å; H11-H18 CarbonylContact O-C 3.52Å; H11-H18 WeakPolarHBondContact O-CA 3.39Å; H11-H18 PolarHBondContact O-N 3.23Å
12K49.4Very low53.1Low129 Ų12959.3 Ų59.356%0.56130%0.295SS*.EExtended strand (participates in β ladder)trans-121.8117.4171.6-173.6176.9176.6178.10108G15 V16 L91K12-G15 VanDerWaalsContact CE-O 3.25Å; K12-G15 WeakPolarHBondContact CE-O 3.36Å; K12-V16 CarbonylContact C-O 3.33Å; K12-V16 VanDerWaalsContact CA-O 3.23Å; K12-V16 WeakPolarHBondContact CA-O 3.45Å; K12-L91 HydrophobicContact CB-CD1 4.19Å
13I53.2Low52.8Low80 Ų8052 Ų5241%0.4127%0.267SS..EExtended strand (participates in β ladder)trans-120.1126-179.8-45.5178.3000107.3G15 V16 H18I13-G15 VanDerWaalsContact C-N 3.26Å; I13-G15 PolarHBondContact O-N 3.39Å; I13-V16 PolarHBondContact N-O 3.35Å; I13-V16 WeakPolarHBondContact O-CB 3.28Å; I13-V16 PolarHBondContact O-N 2.89Å; I13-H18 WeakPolarHBondContact CB-CD2 3.38Å; I13-H18 HydrophobicContact CD1-CB 4.03Å; I13-H18 HydrophobicContact CG1-CB 4.15Å
14H49.8Very low52.3Low189 Ų18951.4 Ų51.488%0.87527%0.267SS*.THydrogen-bonded Turntrans50.938.6-179-56.3119.8000115V16H14-V16 PolarHBondContact O-N 2.69Å
15G49.4Very low51.6Low57 Ų5750.5 Ų50.559%0.58826%0.262SS*.THydrogen-bonded Turntrans84.4-13.1-178.100000114.6K12 I13K12-G15 VanDerWaalsContact CE-O 3.25Å; K12-G15 WeakPolarHBondContact CE-O 3.36Å; I13-G15 VanDerWaalsContact C-N 3.26Å; I13-G15 PolarHBondContact O-N 3.39Å
16V49.2Very low50.7Low74 Ų7457 Ų5745%0.44829%0.287SS..EExtended strand (participates in β ladder)trans-96.5136.2-178.7-175.90000109.9K12 I13 H14 H18K12-V16 CarbonylContact C-O 3.33Å; K12-V16 VanDerWaalsContact CA-O 3.23Å; K12-V16 WeakPolarHBondContact CA-O 3.45Å; I13-V16 PolarHBondContact N-O 3.35Å; I13-V16 WeakPolarHBondContact O-CB 3.28Å; I13-V16 PolarHBondContact O-N 2.89Å; H14-V16 PolarHBondContact O-N 2.69Å; V16-H18 PolarHBondContact O-CD2 2.98Å; V16-H18 PolarHBondContact O-N 3.45Å
17I51.2Low49.9Very low76 Ų7656.6 Ų56.639%0.3929%0.286SS..EExtended strand (participates in β ladder)trans-78.7111.7175.3-59.4175000108.9V10 H11 V41V10-I17 HydrophobicContact CG1-CG2 3.59Å; H11-I17 CarbonylContact O-C 3.14Å; H11-I17 WeakPolarHBondContact O-CA 3.47Å; I17-V41 WeakPolarHBondContact O-CG2 3.38Å
18H49Very low49Very low62 Ų6268.2 Ų68.229%0.28733%0.33SS..EExtended strand (participates in β ladder)trans-96.396.2167.7-68.5-100.8000108.4H11 I13 V16H11-H18 CarbonylContact C-O 3.54Å; H11-H18 WeakPolarHBondContact CA-O 3.2Å; H11-H18 WeakPolarHBondContact CB-O 3.5Å; H11-H18 PolarHBondContact N-O 2.9Å; H11-H18 CarbonylContact O-C 3.52Å; H11-H18 WeakPolarHBondContact O-CA 3.39Å; H11-H18 PolarHBondContact O-N 3.23Å; I13-H18 WeakPolarHBondContact CB-CD2 3.38Å; I13-H18 HydrophobicContact CD1-CB 4.03Å; I13-H18 HydrophobicContact CG1-CB 4.15Å; V16-H18 PolarHBondContact O-CD2 2.98Å; V16-H18 PolarHBondContact O-N 3.45Å
19S48.4Very low47.9Very low10 Ų1070.4 Ų70.47%0.0734%0.342CS..EExtended strand (participates in β ladder)trans-95123.2169.352.50000109.3V21S19-V21 WeakPolarHBondContact OG-CG2 3.23Å
20Q49.8Very low47Very low100 Ų10075.7 Ų75.747%0.46737%0.374SS..EExtended strand (participates in β ladder)trans-79.3130.5156-177.8173.17.300106.6H8 G9 T38H8-Q20 CarbonylContact C-O 3.44Å; H8-Q20 VanDerWaalsContact C-O 3.3Å; H8-Q20 PolarHBondContact N-O 3.19Å; H8-Q20 CarbonylContact O-C 3.31Å; H8-Q20 VanDerWaalsContact O-C 3.31Å; H8-Q20 WeakPolarHBondContact O-CB 3.36Å; G9-Q20 PolarHBondContact O-N 3.39Å; G9-Q20 VanDerWaalsContact O-N 3.12Å; Q20-T38 HydrophobicContact CG-CG2 3.94Å; Q20-T38 VanDerWaalsContact NE2-CG2 3.27Å
21V47.8Very low46.1Very low0 Ų084.6 Ų84.60%041%0.409CS..EExtended strand (participates in β ladder)trans-134.9118.3-172.3172.60000108.1M5 L7 S19 V23 V37 L44M5-V21 HydrophobicContact CE-CG1 3.4Å; L7-V21 HydrophobicContact CD2-CB 3.83Å; L7-V21 HydrophobicContact CD2-CG1 3.49Å; L7-V21 VanDerWaalsContact CD2-CG1 3.49Å; L7-V21 HydrophobicContact CD2-CG2 3.18Å; L7-V21 HydrophobicContact CG-CG1 4.48Å; S19-V21 WeakPolarHBondContact OG-CG2 3.23Å; V21-V23 HydrophobicContact CG1-CG2 3.7Å; V21-V37 PolarHBondContact N-O 3.35Å; V21-V37 PolarHBondContact O-N 2.78Å; V21-L44 HydrophobicContact CB-CD1 3.12Å; V21-L44 HydrophobicContact CG1-CD1 3.42Å; V21-L44 VanDerWaalsContact CG1-CD1 3.42Å; V21-L44 HydrophobicContact CG2-CD1 3.05Å; V21-L44 HydrophobicContact CG2-CG 4.48Å
22N46.1Very low45.2Very low19 Ų1985.1 Ų85.110%0.10241%0.411CS..EExtended strand (participates in β ladder)trans-106.987.1-179.5-173.212000108.9K6 H8 S24 Q34 Q35K6-N22 CarbonylContact C-O 3.53Å; K6-N22 CarbonylContact O-C 3.44Å; K6-N22 PolarHBondContact O-N 3.21Å; H8-N22 VanDerWaalsContact CD2-CB 3.48Å; H8-N22 WeakPolarHBondContact CD2-CB 3.41Å; N22-S24 PolarHBondContact O-N 2.84Å; N22-Q34 PolarHBondContact ND2-NE2 3.35Å; N22-Q34 WeakPolarHBondContact OD1-CG 3.25Å; N22-Q35 PolarHBondContact OD1-O 2.88Å
23V47.1Very low44.6Very low2 Ų287.5 Ų87.51%0.01242%0.417CS..EExtended strand (participates in β ladder)trans-73.2100.5179.8-163.60000108.4M5 V21 F25 Q35 L48M5-V23 HydrophobicContact CB-CG1 4.04Å; M5-V23 HydrophobicContact CE-CG2 4.23Å; M5-V23 HydrophobicContact CG-CB 4.47Å; M5-V23 HydrophobicContact CG-CG1 3.93Å; M5-V23 HydrophobicContact CG-CG2 4.17Å; M5-V23 HydrophobicContact SD-CG1 4.48Å; M5-V23 HydrophobicContact SD-CG2 4.35Å; V21-V23 HydrophobicContact CG1-CG2 3.7Å; V23-F25 HydrophobicContact CB-CE2 4.14Å; V23-F25 HydrophobicContact CB-CZ 4.13Å; V23-F25 HydrophobicContact CG1-CD1 4.38Å; V23-F25 HydrophobicContact CG1-CD2 4.32Å; V23-F25 HydrophobicContact CG1-CE1 3.67Å; V23-F25 HydrophobicContact CG1-CE2 3.59Å; V23-F25 HydrophobicContact CG1-CZ 3.18Å; V23-Q35 PolarHBondContact N-O 3.31Å; V23-Q35 PolarHBondContact O-N 3.14Å; V23-L48 HydrophobicContact CG2-CD2 3.68Å
24S46.8Very low43.9Very low9 Ų989.5 Ų89.56%0.06342%0.424CS..EExtended strand (participates in β ladder)trans-98.2103.1175.3-62.60000108.9N22 W26N22-S24 PolarHBondContact O-N 2.84Å; S24-W26 PolarHBondContact O-N 3.24Å
25F45.5Very low43.2Very low25 Ų2583.8 Ų83.811%0.1140%0.398CS..EExtended strand (participates in β ladder)trans-76.7107.4174.7-60.5-76.8000109.9R3 V23 E27 S51 L99R3-F25 HydrophobicContact CB-CD1 4.33Å; R3-F25 HydrophobicContact CG-CD1 4.43Å; V23-F25 HydrophobicContact CB-CE2 4.14Å; V23-F25 HydrophobicContact CB-CZ 4.13Å; V23-F25 HydrophobicContact CG1-CD1 4.38Å; V23-F25 HydrophobicContact CG1-CD2 4.32Å; V23-F25 HydrophobicContact CG1-CE1 3.67Å; V23-F25 HydrophobicContact CG1-CE2 3.59Å; V23-F25 HydrophobicContact CG1-CZ 3.18Å; F25-E27 VanDerWaalsContact C-N 3.28Å; F25-E27 PolarHBondContact O-N 3.26Å; F25-S51 WeakPolarHBondContact CZ-OG 3.24Å; F25-L99 HydrophobicContact CD1-CD1 4.39Å; F25-L99 HydrophobicContact CE1-CD1 3.8Å
26W42Very low42.6Very low137 Ų13784.7 Ų84.752%0.51940%0.395SS..  trans-80.679.6168.4-5980.2000108.5S24 H32S24-W26 PolarHBondContact O-N 3.24Å; W26-H32 AromaticContact CE3-NE2 3.86Å; W26-H32 AromaticContact CH2-CE1 3.98Å; W26-H32 AromaticContact CH2-NE2 3.58Å; W26-H32 AromaticContact CZ2-CE1 3.98Å; W26-H32 AromaticContact CZ3-NE2 3.47Å; W26-H32 WeakPolarHBondContact CZ3-NE2 3.45Å
27E44.2Very low42.1Very low55 Ų5581.8 Ų81.826%0.25738%0.378SS..  trans-70.7138.4156.5-78.5-174.1168.200107R3 F25 L29 R58R3-E27 IonicContact CZ-OE1 3.67Å; R3-E27 IonicContact NE-OE1 3.8Å; R3-E27 IonicContact NH2-OE1 2.78Å; R3-E27 PolarHBondContact NH2-OE1 2.75Å; F25-E27 VanDerWaalsContact C-N 3.28Å; F25-E27 PolarHBondContact O-N 3.26Å; E27-L29 HydrophobicContact CB-CB 4.15Å; E27-L29 PolarHBondContact O-N 3.32Å; E27-L29 VanDerWaalsContact O-O 3.05Å; E27-R58 IonicContact OE1-NH1 3.26Å; E27-R58 PolarHBondContact OE1-NH1 2.69Å
28R40.9Very low41.4Very low245 Ų24583.2 Ų83.293%0.92539%0.39SS*.SBendtrans-67.734.4165.3-102.5-168.1-168.4-178.33.8111.4
29L35Very low40.7Very low89 Ų8981.1 Ų81.147%0.46639%0.385SS..SBendtrans-119.5143172-74164.3000105.9E27 Y31E27-L29 HydrophobicContact CB-CB 4.15Å; E27-L29 PolarHBondContact O-N 3.32Å; E27-L29 VanDerWaalsContact O-O 3.05Å; L29-Y31 PolarHBondContact O-N 2.81Å
30P35.1Very low40.5Very low124 Ų12484.8 Ų84.881%0.80541%0.407SS*.SBendtrans-667.6-170.726.1-34.1000115.2H32P30-H32 PolarHBondContact O-N 3.33Å
31Y34.2Very low40.2Very low193 Ų19382.4 Ų82.476%0.75740%0.399SS*.  trans-92.290.3176.8-69.1-79.3000110.9L29 R33L29-Y31 PolarHBondContact O-N 2.81Å; Y31-R33 VanDerWaalsContact C-N 3.33Å; Y31-R33 PolarHBondContact O-N 2.91Å
32H35.1Very low39.9Very low112 Ų11286.1 Ų86.152%0.51942%0.423SS..  trans-66.789.9165.2-125.5-65.3000108.7W26 P30 Q34W26-H32 AromaticContact CE3-NE2 3.86Å; W26-H32 AromaticContact CH2-CE1 3.98Å; W26-H32 AromaticContact CH2-NE2 3.58Å; W26-H32 AromaticContact CZ2-CE1 3.98Å; W26-H32 AromaticContact CZ3-NE2 3.47Å; W26-H32 WeakPolarHBondContact CZ3-NE2 3.45Å; P30-H32 PolarHBondContact O-N 3.33Å; H32-Q34 PolarHBondContact O-N 3.17Å
33R37Very low39.6Very low180 Ų18086.5 Ų86.568%0.67943%0.432SS*.EExtended strand (participates in β ladder)trans-87.287.8168.4-151.7-178.9-157.6-173.46.6108.2Y31Y31-R33 VanDerWaalsContact C-N 3.33Å; Y31-R33 PolarHBondContact O-N 2.91Å
34Q37.3Very low39.6Very low121 Ų12186.7 Ų86.757%0.56543%0.433SS*.EExtended strand (participates in β ladder)trans-78.9115.2169.8-171.3174.5-14.600108.1N22 H32N22-Q34 PolarHBondContact ND2-NE2 3.35Å; N22-Q34 WeakPolarHBondContact OD1-CG 3.25Å; H32-Q34 PolarHBondContact O-N 3.17Å
35Q36.2Very low39.5Very low69 Ų6989.6 Ų89.632%0.32245%0.446SS..EExtended strand (participates in β ladder)trans-106.5104.1165.8-84.1-176.9-14.300107.8N22 V23 V37N22-Q35 PolarHBondContact OD1-O 2.88Å; V23-Q35 PolarHBondContact N-O 3.31Å; V23-Q35 PolarHBondContact O-N 3.14Å; Q35-V37 HydrophobicContact CB-CG2 4.45Å; Q35-V37 PolarHBondContact O-N 2.77Å
36S37.4Very low39.6Very low77 Ų7794.7 Ų94.754%0.53847%0.47SS..EExtended strand (participates in β ladder)trans-75.9114166.658.50000108.3
37V37.5Very low39.8Very low13 Ų1389.4 Ų89.48%0.07945%0.454CS..EExtended strand (participates in β ladder)trans-107.292.6177-169.50000107.5V21 Q35 G39 G43 L44 C47V21-V37 PolarHBondContact N-O 3.35Å; V21-V37 PolarHBondContact O-N 2.78Å; Q35-V37 HydrophobicContact CB-CG2 4.45Å; Q35-V37 PolarHBondContact O-N 2.77Å; V37-G39 PolarHBondContact O-N 2.95Å; V37-G43 WeakPolarHBondContact CG1-O 3.37Å; V37-L44 HydrophobicContact CG1-CB 4.46Å; V37-C47 HydrophobicContact CB-CB 4.49Å; V37-C47 HydrophobicContact CG1-CB 4.31Å; V37-C47 HydrophobicContact CG2-CB 3.5Å; V37-C47 VanDerWaalsContact CG2-CB 3.5Å; V37-C47 WeakPolarHBondContact CG2-SG 3.49Å
38T36.5Very low40.1Very low106 Ų10686.9 Ų86.965%0.6544%0.442SS*.  trans-87.258169.350.10000108.6Q20Q20-T38 HydrophobicContact CG-CG2 3.94Å; Q20-T38 VanDerWaalsContact NE2-CG2 3.27Å
39G35.8Very low40.5Very low18 Ų1877.2 Ų77.219%0.18641%0.408CS..  trans-108.5134.4177.200000109V37 V41V37-G39 PolarHBondContact O-N 2.95Å; G39-V41 PolarHBondContact O-N 3.07Å
40V43.8Very low41.3Very low87 Ų8775.2 Ų75.253%0.52740%0.402SS..SBendtrans-40.2142.6146.7-171.60000106.3P42 G43V40-P42 CarbonylContact O-C 3.58Å; V40-P42 WeakPolarHBondContact O-CA 3.36Å; V40-P42 WeakPolarHBondContact O-CD 3.34Å; V40-G43 PolarHBondContact O-N 3.2Å
41V42.7Very low42.2Very low50 Ų5070.1 Ų70.130%0.30337%0.369SS..Hα-helixtrans-21.8-45.5-177.2-178.70000115I17 G39 G43 L44 M45I17-V41 WeakPolarHBondContact O-CG2 3.38Å; G39-V41 PolarHBondContact O-N 3.07Å; V41-G43 PolarHBondContact O-N 3.35Å; V41-L44 VanDerWaalsContact O-CB 3.31Å; V41-L44 WeakPolarHBondContact O-CB 3.37Å; V41-L44 PolarHBondContact O-N 3.39Å; V41-M45 VanDerWaalsContact C-CG 3.5Å; V41-M45 HydrophobicContact CG1-CG 3.97Å; V41-M45 HydrophobicContact CG1-SD 4.25Å; V41-M45 WeakPolarHBondContact O-CG 3.45Å; V41-M45 PolarHBondContact O-N 2.91Å
42P41.3Very low43.1Very low77 Ų7761.5 Ų61.550%0.534%0.336SS..Hα-helixtrans-41-54.1167.4-31.635.7000118.7V40 M45 H46V40-P42 CarbonylContact O-C 3.58Å; V40-P42 WeakPolarHBondContact O-CA 3.36Å; V40-P42 WeakPolarHBondContact O-CD 3.34Å; P42-M45 HydrophobicContact CB-CE 4.47Å; P42-M45 HydrophobicContact CG-CE 4.39Å; P42-M45 WeakPolarHBondContact O-CA 3.44Å; P42-M45 VanDerWaalsContact O-CB 3.24Å; P42-M45 WeakPolarHBondContact O-CB 3.28Å; P42-M45 PolarHBondContact O-N 2.9Å; P42-M45 VanDerWaalsContact O-N 3.12Å; P42-H46 PolarHBondContact O-N 2.79Å
43G40.6Very low43.9Very low28 Ų2859 Ų5929%0.28933%0.327SS..Hα-helixtrans-70.3-38.6-174.800000111.8V37 V40 V41 M45 H46 C47V37-G43 WeakPolarHBondContact CG1-O 3.37Å; V40-G43 PolarHBondContact O-N 3.2Å; V41-G43 PolarHBondContact O-N 3.35Å; G43-M45 VanDerWaalsContact C-N 3.31Å; G43-H46 PolarHBondContact O-N 3.4Å; G43-C47 PolarHBondContact O-N 3.43Å; G43-C47 VanDerWaalsContact O-N 3.13Å; G43-C47 PolarHBondContact O-SG 3.36Å
44L46.8Very low44.6Very low5 Ų553.8 Ų53.83%0.02631%0.314CS..Hα-helixtrans-56.6-46.7167178.9107.7000110.6V21 V37 V41 H46 C47 L48 L79V21-L44 HydrophobicContact CB-CD1 3.12Å; V21-L44 HydrophobicContact CG1-CD1 3.42Å; V21-L44 VanDerWaalsContact CG1-CD1 3.42Å; V21-L44 HydrophobicContact CG2-CD1 3.05Å; V21-L44 HydrophobicContact CG2-CG 4.48Å; V37-L44 HydrophobicContact CG1-CB 4.46Å; V41-L44 VanDerWaalsContact O-CB 3.31Å; V41-L44 WeakPolarHBondContact O-CB 3.37Å; V41-L44 PolarHBondContact O-N 3.39Å; L44-H46 VanDerWaalsContact C-N 3.34Å; L44-H46 PolarHBondContact O-N 3.21Å; L44-C47 PolarHBondContact O-N 2.87Å; L44-L48 HydrophobicContact CD1-CD1 3.86Å; L44-L48 HydrophobicContact CD1-CG 4.38Å; L44-L48 HydrophobicContact CD2-CD1 3.4Å; L44-L48 HydrophobicContact CD2-CG 4.48Å; L44-L48 HydrophobicContact CG-CD1 3.36Å; L44-L48 HydrophobicContact CG-CG 3.96Å; L44-L48 VanDerWaalsContact O-CB 3.28Å; L44-L48 WeakPolarHBondContact O-CB 3.42Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.31Å; L44-L48 PolarHBondContact O-N 2.8Å; L44-L79 HydrophobicContact CD2-CD2 4.41Å
45M45Very low45.4Very low70 Ų7048.7 Ų48.735%0.34529%0.29SS..Hα-helixtrans-54.3-53.8177.1-49-148.2-94.900109.4V41 P42 G43 C47 L48 I49 L79V41-M45 VanDerWaalsContact C-CG 3.5Å; V41-M45 HydrophobicContact CG1-CG 3.97Å; V41-M45 HydrophobicContact CG1-SD 4.25Å; V41-M45 WeakPolarHBondContact O-CG 3.45Å; V41-M45 PolarHBondContact O-N 2.91Å; P42-M45 HydrophobicContact CB-CE 4.47Å; P42-M45 HydrophobicContact CG-CE 4.39Å; P42-M45 WeakPolarHBondContact O-CA 3.44Å; P42-M45 VanDerWaalsContact O-CB 3.24Å; P42-M45 WeakPolarHBondContact O-CB 3.28Å; P42-M45 PolarHBondContact O-N 2.9Å; P42-M45 VanDerWaalsContact O-N 3.12Å; G43-M45 VanDerWaalsContact C-N 3.31Å; M45-C47 VanDerWaalsContact C-N 3.33Å; M45-C47 PolarHBondContact O-N 3.27Å; M45-L48 PolarHBondContact O-N 2.78Å; M45-I49 HydrophobicContact CB-CD1 3.94Å; M45-I49 WeakPolarHBondContact O-CA 3.14Å; M45-I49 WeakPolarHBondContact O-CB 3.27Å; M45-I49 WeakPolarHBondContact O-CD1 3.38Å; M45-I49 WeakPolarHBondContact O-CG1 3.01Å; M45-I49 PolarHBondContact O-N 2.75Å; M45-L79 VanDerWaalsContact CA-CD1 3.47Å; M45-L79 HydrophobicContact CB-CD1 3.46Å; M45-L79 VanDerWaalsContact CB-CD1 3.46Å; M45-L79 HydrophobicContact CG-CD1 3.17Å; M45-L79 HydrophobicContact SD-CD1 3.62Å
46H46.4Very low46.2Very low132 Ų13245.4 Ų45.461%0.61128%0.275SS*.Hα-helixtrans-59.5-42.6-176.3-171.7-92.9000112.7P42 G43 L44 S50P42-H46 PolarHBondContact O-N 2.79Å; G43-H46 PolarHBondContact O-N 3.4Å; L44-H46 VanDerWaalsContact C-N 3.34Å; L44-H46 PolarHBondContact O-N 3.21Å; H46-S50 WeakPolarHBondContact O-CB 3.25Å; H46-S50 PolarHBondContact O-N 2.93Å; H46-S50 PolarHBondContact O-OG 3.39Å
47C45.9Very low46.8Very low26 Ų2647 Ų4718%0.17628%0.276CS..Hα-helixtrans-74.2-41.6-178.5-64.60000113V37 G43 L44 M45 S51V37-C47 HydrophobicContact CB-CB 4.49Å; V37-C47 HydrophobicContact CG1-CB 4.31Å; V37-C47 HydrophobicContact CG2-CB 3.5Å; V37-C47 VanDerWaalsContact CG2-CB 3.5Å; V37-C47 WeakPolarHBondContact CG2-SG 3.49Å; G43-C47 PolarHBondContact O-N 3.43Å; G43-C47 VanDerWaalsContact O-N 3.13Å; G43-C47 PolarHBondContact O-SG 3.36Å; L44-C47 PolarHBondContact O-N 2.87Å; M45-C47 VanDerWaalsContact C-N 3.33Å; M45-C47 PolarHBondContact O-N 3.27Å; C47-S51 VanDerWaalsContact O-CB 3.24Å; C47-S51 WeakPolarHBondContact O-CB 3.28Å; C47-S51 PolarHBondContact O-N 3.43Å; C47-S51 PolarHBondContact O-OG 3.13Å
48L51.2Low47.5Very low3 Ų353.2 Ų53.22%0.01630%0.299CS..Hα-helixtrans-67.2-46.9176.2-68.8177.9000111.3M5 V23 L44 M45 S50 S51 I52 L82 I86M5-L48 HydrophobicContact CE-CD1 4.08Å; M5-L48 HydrophobicContact CE-CD2 3.38Å; M5-L48 HydrophobicContact CE-CG 4.33Å; M5-L48 HydrophobicContact SD-CD2 3.37Å; M5-L48 WeakPolarHBondContact SD-CD2 2.98Å; V23-L48 HydrophobicContact CG2-CD2 3.68Å; L44-L48 HydrophobicContact CD1-CD1 3.86Å; L44-L48 HydrophobicContact CD1-CG 4.38Å; L44-L48 HydrophobicContact CD2-CD1 3.4Å; L44-L48 HydrophobicContact CD2-CG 4.48Å; L44-L48 HydrophobicContact CG-CD1 3.36Å; L44-L48 HydrophobicContact CG-CG 3.96Å; L44-L48 VanDerWaalsContact O-CB 3.28Å; L44-L48 WeakPolarHBondContact O-CB 3.42Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.31Å; L44-L48 PolarHBondContact O-N 2.8Å; M45-L48 PolarHBondContact O-N 2.78Å; L48-S50 VanDerWaalsContact C-N 3.35Å; L48-S50 PolarHBondContact O-N 3.26Å; L48-S51 PolarHBondContact O-N 3.29Å; L48-I52 VanDerWaalsContact O-CB 3.25Å; L48-I52 WeakPolarHBondContact O-CB 3.47Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.25Å; L48-I52 PolarHBondContact O-N 3.41Å; L48-L82 HydrophobicContact CB-CD1 3.93Å; L48-L82 HydrophobicContact CD1-CD1 3.59Å; L48-L82 HydrophobicContact CD2-CD1 3.73Å; L48-L82 HydrophobicContact CG-CD1 3.95Å; L48-I86 HydrophobicContact CD1-CD1 4.29Å
49I50.5Low48Very low42 Ų4249.6 Ų49.622%0.21527%0.273CS..Hα-helixtrans-58.8-49.4176-67.8172.7000109.2M45 S51 N53 P78M45-I49 HydrophobicContact CB-CD1 3.94Å; M45-I49 WeakPolarHBondContact O-CA 3.14Å; M45-I49 WeakPolarHBondContact O-CB 3.27Å; M45-I49 WeakPolarHBondContact O-CD1 3.38Å; M45-I49 WeakPolarHBondContact O-CG1 3.01Å; M45-I49 PolarHBondContact O-N 2.75Å; I49-S51 VanDerWaalsContact C-N 3.32Å; I49-S51 PolarHBondContact O-N 3.29Å; I49-N53 WeakPolarHBondContact CG2-ND2 3.24Å; I49-N53 WeakPolarHBondContact O-CA 3.09Å; I49-N53 WeakPolarHBondContact O-CB 3.4Å; I49-N53 PolarHBondContact O-N 2.98Å; I49-N53 PolarHBondContact O-ND2 3.44Å; I49-P78 HydrophobicContact CB-CG 4.2Å; I49-P78 HydrophobicContact CG1-CB 4.18Å; I49-P78 HydrophobicContact CG1-CG 4.1Å; I49-P78 HydrophobicContact CG2-CG 3.99Å
50S51.4Low48.5Very low47 Ų4751 Ų5133%0.32928%0.28SS..Hα-helixtrans-59.6-44178.5-65.50000111.7H46 L48 V54H46-S50 WeakPolarHBondContact O-CB 3.25Å; H46-S50 PolarHBondContact O-N 2.93Å; H46-S50 PolarHBondContact O-OG 3.39Å; L48-S50 VanDerWaalsContact C-N 3.35Å; L48-S50 PolarHBondContact O-N 3.26Å; S50-V54 VanDerWaalsContact O-CB 3.26Å; S50-V54 WeakPolarHBondContact O-CB 3.26Å; S50-V54 WeakPolarHBondContact O-CG2 2.87Å; S50-V54 PolarHBondContact O-N 2.85Å
51S52.6Low48.7Very low17 Ų1751.7 Ų51.712%0.11928%0.284CS..Hα-helixtrans-75.5-39-174.8-59.50000113.3F25 C47 L48 I49 W55F25-S51 WeakPolarHBondContact CZ-OG 3.24Å; C47-S51 VanDerWaalsContact O-CB 3.24Å; C47-S51 WeakPolarHBondContact O-CB 3.28Å; C47-S51 PolarHBondContact O-N 3.43Å; C47-S51 PolarHBondContact O-OG 3.13Å; L48-S51 PolarHBondContact O-N 3.29Å; I49-S51 VanDerWaalsContact C-N 3.32Å; I49-S51 PolarHBondContact O-N 3.29Å; S51-W55 WeakPolarHBondContact O-CB 3.27Å; S51-W55 PolarHBondContact O-N 2.77Å
52I54.9Low48.6Very low11 Ų1150.3 Ų50.36%0.05628%0.281CS..Hα-helixtrans-69.4-44.6173.3-69.5168.8000109.8L48 V54 W55 L56 P78 L82L48-I52 VanDerWaalsContact O-CB 3.25Å; L48-I52 WeakPolarHBondContact O-CB 3.47Å; L48-I52 VanDerWaalsContact O-CG1 3.28Å; L48-I52 WeakPolarHBondContact O-CG1 3.25Å; L48-I52 PolarHBondContact O-N 3.41Å; I52-V54 VanDerWaalsContact C-N 3.35Å; I52-V54 PolarHBondContact O-N 3.33Å; I52-W55 CarbonylContact O-C 3.58Å; I52-W55 PolarHBondContact O-N 3.35Å; I52-W55 VanDerWaalsContact O-N 3.15Å; I52-L56 HydrophobicContact CG2-CD1 3.29Å; I52-L56 HydrophobicContact CG2-CG 3.83Å; I52-L56 VanDerWaalsContact O-CB 3.25Å; I52-L56 WeakPolarHBondContact O-CB 3.46Å; I52-L56 WeakPolarHBondContact O-CG 3.4Å; I52-L56 PolarHBondContact O-N 3.33Å; I52-P78 HydrophobicContact CB-CB 3.85Å; I52-P78 HydrophobicContact CB-CG 4.39Å; I52-P78 HydrophobicContact CD1-CB 3.9Å; I52-P78 HydrophobicContact CG2-CB 3.73Å; I52-P78 HydrophobicContact CG2-CG 4.21Å; I52-L82 HydrophobicContact CD1-CD1 3.16Å; I52-L82 HydrophobicContact CD1-CD2 4.14Å; I52-L82 HydrophobicContact CD1-CG 3.46Å; I52-L82 VanDerWaalsContact CD1-CG 3.46Å; I52-L82 HydrophobicContact CG1-CD1 4.36Å
53N51.2Low48.6Very low61 Ų6153.7 Ų53.733%0.32630%0.3SS..Hα-helixtrans-60.2-46.7175.7-76.6-16.2000110.5I49 W55 L56 L57 P78I49-N53 WeakPolarHBondContact CG2-ND2 3.24Å; I49-N53 WeakPolarHBondContact O-CA 3.09Å; I49-N53 WeakPolarHBondContact O-CB 3.4Å; I49-N53 PolarHBondContact O-N 2.98Å; I49-N53 PolarHBondContact O-ND2 3.44Å; N53-W55 VanDerWaalsContact C-N 3.3Å; N53-W55 PolarHBondContact O-N 3.37Å; N53-L56 PolarHBondContact O-N 3.41Å; N53-L57 WeakPolarHBondContact O-CA 3.31Å; N53-L57 WeakPolarHBondContact O-CB 3.26Å; N53-L57 PolarHBondContact O-N 3.03Å; N53-P78 WeakPolarHBondContact OD1-CG 2.99Å
54V50.9Low48.5Very low70 Ų7059 Ų5942%0.42431%0.311SS..Hα-helixtrans-61.6-39.8175.7169.30000111.1S50 I52 R58S50-V54 VanDerWaalsContact O-CB 3.26Å; S50-V54 WeakPolarHBondContact O-CB 3.26Å; S50-V54 WeakPolarHBondContact O-CG2 2.87Å; S50-V54 PolarHBondContact O-N 2.85Å; I52-V54 VanDerWaalsContact C-N 3.35Å; I52-V54 PolarHBondContact O-N 3.33Å; V54-R58 WeakPolarHBondContact O-CB 3.48Å; V54-R58 VanDerWaalsContact O-CG 3.27Å; V54-R58 WeakPolarHBondContact O-CG 3.26Å; V54-R58 PolarHBondContact O-N 3.12Å
55W54.5Low48.2Very low13 Ų1368.7 Ų68.75%0.04935%0.353CS..Hα-helixtrans-69.7-47.7178.9-178.778.8000112.6R3 S51 I52 N53 L57 R58 R59 F70 D100 A103R3-W55 VanDerWaalsContact CD-CD1 3.47Å; R3-W55 VanDerWaalsContact NH1-CB 3.31Å; S51-W55 WeakPolarHBondContact O-CB 3.27Å; S51-W55 PolarHBondContact O-N 2.77Å; I52-W55 CarbonylContact O-C 3.58Å; I52-W55 PolarHBondContact O-N 3.35Å; I52-W55 VanDerWaalsContact O-N 3.15Å; N53-W55 VanDerWaalsContact C-N 3.3Å; N53-W55 PolarHBondContact O-N 3.37Å; W55-L57 VanDerWaalsContact C-N 3.34Å; W55-R58 CarbonylContact O-C 3.5Å; W55-R58 WeakPolarHBondContact O-CB 3.33Å; W55-R58 PolarHBondContact O-N 2.82Å; W55-R59 HydrophobicContact CD2-CG 4.32Å; W55-R59 HydrophobicContact CH2-CG 4.2Å; W55-R59 HydrophobicContact CZ2-CG 3.83Å; W55-R59 PolarHBondContact O-N 2.86Å; W55-F70 AromaticContact CH2-CE2 3.4Å; W55-F70 HydrophobicContact CH2-CE2 3.4Å; W55-F70 VanDerWaalsContact CH2-CE2 3.4Å; W55-F70 AromaticContact CH2-CZ 3.64Å; W55-F70 HydrophobicContact CH2-CZ 3.64Å; W55-F70 HydrophobicContact CZ2-CE2 4.39Å; W55-F70 AromaticContact CZ3-CE2 3.58Å; W55-F70 HydrophobicContact CZ3-CE2 3.58Å; W55-F70 AromaticContact CZ3-CZ 3.86Å; W55-F70 HydrophobicContact CZ3-CZ 3.86Å; W55-D100 HydrophobicContact CZ2-CB 4.47Å; W55-D100 WeakPolarHBondContact CZ2-OD1 3.42Å; W55-D100 PolarHBondContact NE1-OD1 3.13Å; W55-A103 HydrophobicContact CE3-CB 4.14Å; W55-A103 HydrophobicContact CH2-CB 3.26Å; W55-A103 HydrophobicContact CZ2-CB 4.47Å; W55-A103 HydrophobicContact CZ3-CB 3.05Å
56L52.6Low48.1Very low1 Ų172.3 Ų72.31%0.00537%0.374CS..Hα-helixtrans-63.2-42.3176.7-75.5170.1000111I52 N53 R58 R59 S60 F70 P74 W81I52-L56 HydrophobicContact CG2-CD1 3.29Å; I52-L56 HydrophobicContact CG2-CG 3.83Å; I52-L56 VanDerWaalsContact O-CB 3.25Å; I52-L56 WeakPolarHBondContact O-CB 3.46Å; I52-L56 WeakPolarHBondContact O-CG 3.4Å; I52-L56 PolarHBondContact O-N 3.33Å; N53-L56 PolarHBondContact O-N 3.41Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 2.89Å; L56-R59 CarbonylContact O-C 3.55Å; L56-R59 PolarHBondContact O-N 3.02Å; L56-R59 VanDerWaalsContact O-N 3.13Å; L56-S60 WeakPolarHBondContact O-CB 3.31Å; L56-S60 PolarHBondContact O-N 3.45Å; L56-S60 PolarHBondContact O-OG 3Å; L56-S60 VanDerWaalsContact O-OG 3.13Å; L56-F70 HydrophobicContact CD2-CD1 4.41Å; L56-F70 HydrophobicContact CD2-CD2 3.89Å; L56-F70 HydrophobicContact CD2-CE1 4.46Å; L56-F70 HydrophobicContact CD2-CE2 3.94Å; L56-F70 HydrophobicContact CD2-CG 4.15Å; L56-F70 HydrophobicContact CD2-CZ 4.24Å; L56-P74 HydrophobicContact CB-CB 4.45Å; L56-P74 HydrophobicContact CB-CG 3.52Å; L56-P74 HydrophobicContact CD1-CB 3.45Å; L56-P74 VanDerWaalsContact CD1-CB 3.45Å; L56-P74 HydrophobicContact CD1-CG 3.43Å; L56-P74 VanDerWaalsContact CD1-CG 3.43Å; L56-P74 HydrophobicContact CD2-CG 4.5Å; L56-P74 HydrophobicContact CG-CB 4.5Å; L56-P74 HydrophobicContact CG-CG 3.98Å; L56-W81 HydrophobicContact CD1-CE3 3.8Å; L56-W81 HydrophobicContact CD1-CH2 4.06Å; L56-W81 HydrophobicContact CD1-CZ3 3.22Å; L56-W81 HydrophobicContact CD2-CH2 4.31Å; L56-W81 HydrophobicContact CD2-CZ3 3.64Å; L56-W81 HydrophobicContact CG-CZ3 4.04Å
57L51.1Low47.9Very low109 Ų10966.5 Ų66.557%0.57135%0.348SS*.Hα-helixtrans-61.7-42.9174.5-167.575.6000110.5N53 W55 R59 S60 T61N53-L57 WeakPolarHBondContact O-CA 3.31Å; N53-L57 WeakPolarHBondContact O-CB 3.26Å; N53-L57 PolarHBondContact O-N 3.03Å; W55-L57 VanDerWaalsContact C-N 3.34Å; L57-R59 VanDerWaalsContact C-N 3.3Å; L57-R59 PolarHBondContact O-N 3.24Å; L57-S60 WeakPolarHBondContact CA-OG 3.45Å; L57-S60 PolarHBondContact O-N 2.87Å; L57-S60 PolarHBondContact O-OG 3.4Å; L57-S60 VanDerWaalsContact O-OG 3.12Å; L57-T61 WeakPolarHBondContact O-CB 3.41Å; L57-T61 WeakPolarHBondContact O-CG2 3.27Å; L57-T61 PolarHBondContact O-N 2.93Å; L57-T61 PolarHBondContact O-OG1 3.29Å
58R50.9Low47.7Very low145 Ų14568.8 Ų68.855%0.54736%0.358SS..Hα-helixtrans-64.2-31.8174-80.7-177.4179-170.31.8113R3 E27 V54 W55 L56 G62R3-R58 VanDerWaalsContact NH2-NH1 3.11Å; E27-R58 IonicContact OE1-NH1 3.26Å; E27-R58 PolarHBondContact OE1-NH1 2.69Å; V54-R58 WeakPolarHBondContact O-CB 3.48Å; V54-R58 VanDerWaalsContact O-CG 3.27Å; V54-R58 WeakPolarHBondContact O-CG 3.26Å; V54-R58 PolarHBondContact O-N 3.12Å; W55-R58 CarbonylContact O-C 3.5Å; W55-R58 WeakPolarHBondContact O-CB 3.33Å; W55-R58 PolarHBondContact O-N 2.82Å; L56-R58 VanDerWaalsContact C-N 3.32Å; L56-R58 PolarHBondContact O-N 2.89Å; R58-G62 WeakPolarHBondContact O-CA 3.1Å; R58-G62 PolarHBondContact O-N 2.96Å
59R48.4Very low47.5Very low30 Ų3072.3 Ų72.311%0.11338%0.38CS..Hα-helixtrans-83.7-31.5177.4-78.8-91.2-168.5148.61.4113.1W55 L56 L57 F70 D100W55-R59 HydrophobicContact CD2-CG 4.32Å; W55-R59 HydrophobicContact CH2-CG 4.2Å; W55-R59 HydrophobicContact CZ2-CG 3.83Å; W55-R59 PolarHBondContact O-N 2.86Å; L56-R59 CarbonylContact O-C 3.55Å; L56-R59 PolarHBondContact O-N 3.02Å; L56-R59 VanDerWaalsContact O-N 3.13Å; L57-R59 VanDerWaalsContact C-N 3.3Å; L57-R59 PolarHBondContact O-N 3.24Å; R59-F70 HydrophobicContact CB-CD2 3.74Å; R59-F70 HydrophobicContact CB-CE2 4.01Å; R59-F70 HydrophobicContact CG-CD2 4.48Å; R59-F70 HydrophobicContact CG-CE2 4.26Å; R59-D100 IonicContact NH2-OD1 3.33Å; R59-D100 PolarHBondContact NH2-OD1 3.42Å; R59-D100 IonicContact NH2-OD2 3.13Å; R59-D100 PolarHBondContact NH2-OD2 3.12Å; R59-D100 VanDerWaalsContact NH2-OD2 3.13Å
60S46.2Very low47.2Very low47 Ų4770.6 Ų70.633%0.32937%0.371SS..Hα-helixtrans-75.9-35.2176.765.80000111.5L56 L57L56-S60 WeakPolarHBondContact O-CB 3.31Å; L56-S60 PolarHBondContact O-N 3.45Å; L56-S60 PolarHBondContact O-OG 3Å; L56-S60 VanDerWaalsContact O-OG 3.13Å; L57-S60 WeakPolarHBondContact CA-OG 3.45Å; L57-S60 PolarHBondContact O-N 2.87Å; L57-S60 PolarHBondContact O-OG 3.4Å; L57-S60 VanDerWaalsContact O-OG 3.12Å
61T46.8Very low47Very low101 Ų10175 Ų7562%0.6238%0.38SS*.Hα-helixtrans-88.7-18.8175.160.80000113.2L57 T63L57-T61 WeakPolarHBondContact O-CB 3.41Å; L57-T61 WeakPolarHBondContact O-CG2 3.27Å; L57-T61 PolarHBondContact O-N 2.93Å; L57-T61 PolarHBondContact O-OG1 3.29Å; T61-T63 PolarHBondContact O-N 2.86Å
62G41.7Very low46.9Very low22 Ų2276.1 Ų76.123%0.22738%0.383CS..  trans-82.1114-174.200000113R58 R64 S67R58-G62 WeakPolarHBondContact O-CA 3.1Å; R58-G62 PolarHBondContact O-N 2.96Å; G62-R64 PolarHBondContact O-N 3.32Å; G62-S67 PolarHBondContact O-OG 2.88Å
63T40.2Very low46.6Very low148 Ų14881.2 Ų81.291%0.90842%0.415SS*.  trans-61.931.9168.445.30000114.7T61 K65T61-T63 PolarHBondContact O-N 2.86Å; T63-K65 PolarHBondContact O-N 2.72Å
64R39.4Very low46.4Very low138 Ų13879.7 Ų79.752%0.52141%0.409SS..  trans-75.5119.5179.4-123.6-180-179.6-130-5.9108.8G62 D66 S67G62-R64 PolarHBondContact O-N 3.32Å; R64-D66 PolarHBondContact O-N 2.7Å; R64-D66 VanDerWaalsContact O-N 3.13Å; R64-S67 VanDerWaalsContact CB-CB 3.46Å; R64-S67 VanDerWaalsContact CB-OG 3.32Å; R64-S67 WeakPolarHBondContact CB-OG 3.25Å; R64-S67 WeakPolarHBondContact O-CA 3.15Å; R64-S67 WeakPolarHBondContact O-CB 3.21Å; R64-S67 PolarHBondContact O-N 3.15Å; R64-S67 PolarHBondContact O-OG 2.88Å
65K41Very low46.3Very low210 Ų21077.8 Ų77.891%0.91340%0.398SS*.THydrogen-bonded Turntrans-54-30.2178.1-147.9175.7-178.5-176.20113.6T63T63-K65 PolarHBondContact O-N 2.72Å
66D43Very low46.2Very low145 Ų14589.1 Ų89.178%0.77544%0.441SS*.THydrogen-bonded Turntrans-104.23.8175.1-50.7-33.6000113.1R64 L68R64-D66 PolarHBondContact O-N 2.7Å; R64-D66 VanDerWaalsContact O-N 3.13Å; D66-L68 PolarHBondContact O-N 3.49Å
67S42.3Very low46.1Very low11 Ų1192.4 Ų92.48%0.07746%0.458CS..SBendtrans-75.4125172.262.60000107.7G62 R64 V69G62-S67 PolarHBondContact O-OG 2.88Å; R64-S67 VanDerWaalsContact CB-CB 3.46Å; R64-S67 VanDerWaalsContact CB-OG 3.32Å; R64-S67 WeakPolarHBondContact CB-OG 3.25Å; R64-S67 WeakPolarHBondContact O-CA 3.15Å; R64-S67 WeakPolarHBondContact O-CB 3.21Å; R64-S67 PolarHBondContact O-N 3.15Å; R64-S67 PolarHBondContact O-OG 2.88Å; S67-V69 PolarHBondContact O-N 3.46Å
68L41.5Very low46Very low74 Ų7487.2 Ų87.239%0.38743%0.431SS..  trans-44.891.6145.1-76.8144.3000107.1D66 F70 W104D66-L68 PolarHBondContact O-N 3.49Å; L68-F70 VanDerWaalsContact C-N 3.29Å; L68-F70 HydrophobicContact CB-CE2 4.45Å; L68-F70 HydrophobicContact CB-CZ 4.46Å; L68-F70 WeakPolarHBondContact O-CD2 3.32Å; L68-F70 PolarHBondContact O-N 3.4Å; L68-W104 HydrophobicContact CD1-CB 4.28Å; L68-W104 VanDerWaalsContact CD1-CD1 3.42Å; L68-W104 HydrophobicContact CD1-CG 4.19Å; L68-W104 VanDerWaalsContact CD2-CD1 3.42Å
69V45.6Very low45.9Very low76 Ų7680.6 Ų80.646%0.46141%0.406SS..  trans-67.3102.8170.2176.70000102.8S67 R71S67-V69 PolarHBondContact O-N 3.46Å; V69-R71 HydrophobicContact CG1-CG 4.26Å; V69-R71 PolarHBondContact O-N 2.76Å
70F45.7Very low46.2Very low7 Ų781.9 Ų81.93%0.03142%0.42CS..  trans-63.995.3168.2-65.6-81.7000105.4W55 L56 R59 L68 H72 A103 N107W55-F70 AromaticContact CH2-CE2 3.4Å; W55-F70 HydrophobicContact CH2-CE2 3.4Å; W55-F70 VanDerWaalsContact CH2-CE2 3.4Å; W55-F70 AromaticContact CH2-CZ 3.64Å; W55-F70 HydrophobicContact CH2-CZ 3.64Å; W55-F70 HydrophobicContact CZ2-CE2 4.39Å; W55-F70 AromaticContact CZ3-CE2 3.58Å; W55-F70 HydrophobicContact CZ3-CE2 3.58Å; W55-F70 AromaticContact CZ3-CZ 3.86Å; W55-F70 HydrophobicContact CZ3-CZ 3.86Å; L56-F70 HydrophobicContact CD2-CD1 4.41Å; L56-F70 HydrophobicContact CD2-CD2 3.89Å; L56-F70 HydrophobicContact CD2-CE1 4.46Å; L56-F70 HydrophobicContact CD2-CE2 3.94Å; L56-F70 HydrophobicContact CD2-CG 4.15Å; L56-F70 HydrophobicContact CD2-CZ 4.24Å; R59-F70 HydrophobicContact CB-CD2 3.74Å; R59-F70 HydrophobicContact CB-CE2 4.01Å; R59-F70 HydrophobicContact CG-CD2 4.48Å; R59-F70 HydrophobicContact CG-CE2 4.26Å; L68-F70 VanDerWaalsContact C-N 3.29Å; L68-F70 HydrophobicContact CB-CE2 4.45Å; L68-F70 HydrophobicContact CB-CZ 4.46Å; L68-F70 WeakPolarHBondContact O-CD2 3.32Å; L68-F70 PolarHBondContact O-N 3.4Å; F70-H72 PolarHBondContact O-N 2.78Å; F70-H72 VanDerWaalsContact O-N 3.17Å; F70-A103 HydrophobicContact CE1-CB 4.31Å; F70-A103 WeakPolarHBondContact CE1-O 3.05Å; F70-A103 HydrophobicContact CE2-CB 4.5Å; F70-A103 HydrophobicContact CZ-CB 3.71Å; F70-N107 HydrophobicContact CD1-CB 3.53Å; F70-N107 VanDerWaalsContact CD1-CG 3.46Å; F70-N107 HydrophobicContact CE1-CB 3.35Å
71R46.9Very low46.6Very low139 Ų13980.3 Ų80.353%0.52541%0.407SS..  trans-66.9-6.8172.6-72.1-171.9175.3-177.9-0.5111.7V69V69-R71 HydrophobicContact CG1-CG 4.26Å; V69-R71 PolarHBondContact O-N 2.76Å
72H49.9Very low47Very low40 Ų4075.5 Ų75.519%0.18538%0.377CS..SBendtrans-114.2135.6-176.6-56.3-57.3000109.5F70 W110F70-H72 PolarHBondContact O-N 2.78Å; F70-H72 VanDerWaalsContact O-N 3.17Å; H72-W110 HydrophobicContact CB-CE3 3.89Å; H72-W110 HydrophobicContact CB-CH2 3.91Å; H72-W110 HydrophobicContact CB-CZ3 3.52Å; H72-W110 AromaticContact CD2-CZ3 3.57Å; H72-W110 AromaticContact CE1-CZ3 3.88Å; H72-W110 AromaticContact CG-CE3 3.84Å; H72-W110 AromaticContact CG-CH2 3.79Å; H72-W110 AromaticContact CG-CZ3 3.17Å; H72-W110 AromaticContact ND1-CH2 3.71Å; H72-W110 AromaticContact ND1-CZ3 3.4Å; H72-W110 WeakPolarHBondContact ND1-CZ3 3.46Å
73T48.9Very low47.7Very low119 Ų11978.4 Ų78.473%0.7339%0.387SS*.PPolyproline II helixtrans-55.8135.1172.8-420000108.1
74P48Very low48.5Very low28 Ų2874.8 Ų74.818%0.18237%0.366CS..PPolyproline II helixtrans-46.8146.8164.5-27.537.4000110.2L56L56-P74 HydrophobicContact CB-CB 4.45Å; L56-P74 HydrophobicContact CB-CG 3.52Å; L56-P74 HydrophobicContact CD1-CB 3.45Å; L56-P74 VanDerWaalsContact CD1-CB 3.45Å; L56-P74 HydrophobicContact CD1-CG 3.43Å; L56-P74 VanDerWaalsContact CD1-CG 3.43Å; L56-P74 HydrophobicContact CD2-CG 4.5Å; L56-P74 HydrophobicContact CG-CB 4.5Å; L56-P74 HydrophobicContact CG-CG 3.98Å
75P48.7Very low49.4Very low30 Ų3069.4 Ų69.420%0.19535%0.351CS..PPolyproline II helixtrans-59.7157.8164.834.9-42000108.2D77 W81P75-D77 PolarHBondContact O-N 3.37Å; P75-D77 VanDerWaalsContact O-N 3.09Å; P75-W81 VanDerWaalsContact CD-CH2 3.46Å; P75-W81 HydrophobicContact CG-CD2 3.88Å; P75-W81 HydrophobicContact CG-CG 4.17Å; P75-W81 HydrophobicContact CG-CZ2 3.82Å
76R51.7Low50.2Low252 Ų25260.1 Ų60.195%0.95131%0.311SS*.SBendtrans-57.7-25.7176.7-66.2-177.8176.7-161.2-0.8112.6P78R76-P78 WeakPolarHBondContact O-CD 3.25Å
77D49.8Very low50.8Low70 Ų7058 Ų5837%0.37430%0.304SS..  trans-12095.6178.9-175.110.2000112.9P75 L79 S80P75-D77 PolarHBondContact O-N 3.37Å; P75-D77 VanDerWaalsContact O-N 3.09Å; D77-L79 PolarHBondContact O-N 3.48Å; D77-L79 VanDerWaalsContact O-N 3.14Å; D77-L79 VanDerWaalsContact OD1-CB 3.29Å; D77-L79 WeakPolarHBondContact OD1-CB 3.24Å; D77-L79 PolarHBondContact OD1-N 2.93Å; D77-S80 PolarHBondContact O-N 2.78Å; D77-S80 PolarHBondContact O-OG 3.39Å
78P48.7Very low51.5Low0 Ų067.9 Ų67.90%034%0.339CS..THydrogen-bonded Turntrans-55.7-19.8172.1-30.235.1000116.1I49 I52 N53 R76 W81 L82I49-P78 HydrophobicContact CB-CG 4.2Å; I49-P78 HydrophobicContact CG1-CB 4.18Å; I49-P78 HydrophobicContact CG1-CG 4.1Å; I49-P78 HydrophobicContact CG2-CG 3.99Å; I52-P78 HydrophobicContact CB-CB 3.85Å; I52-P78 HydrophobicContact CB-CG 4.39Å; I52-P78 HydrophobicContact CD1-CB 3.9Å; I52-P78 HydrophobicContact CG2-CB 3.73Å; I52-P78 HydrophobicContact CG2-CG 4.21Å; N53-P78 WeakPolarHBondContact OD1-CG 2.99Å; R76-P78 WeakPolarHBondContact O-CD 3.25Å; P78-W81 VanDerWaalsContact O-CB 3.28Å; P78-W81 WeakPolarHBondContact O-CB 3.28Å; P78-W81 PolarHBondContact O-N 3.25Å; P78-W81 VanDerWaalsContact O-N 3.15Å; P78-L82 PolarHBondContact O-N 3.36Å
79L50.6Low52.2Low5 Ų566 Ų663%0.02633%0.329CS..Hα-helixtrans-72.1-34.1-178.9-120.6156.9000111.9L44 M45 D77 W81 L82 L83L44-L79 HydrophobicContact CD2-CD2 4.41Å; M45-L79 VanDerWaalsContact CA-CD1 3.47Å; M45-L79 HydrophobicContact CB-CD1 3.46Å; M45-L79 VanDerWaalsContact CB-CD1 3.46Å; M45-L79 HydrophobicContact CG-CD1 3.17Å; M45-L79 HydrophobicContact SD-CD1 3.62Å; D77-L79 PolarHBondContact O-N 3.48Å; D77-L79 VanDerWaalsContact O-N 3.14Å; D77-L79 VanDerWaalsContact OD1-CB 3.29Å; D77-L79 WeakPolarHBondContact OD1-CB 3.24Å; D77-L79 PolarHBondContact OD1-N 2.93Å; L79-W81 PolarHBondContact O-N 3.15Å; L79-L82 PolarHBondContact O-N 2.96Å; L79-L83 HydrophobicContact CD2-CD1 4.44Å; L79-L83 HydrophobicContact CD2-CD2 3.98Å; L79-L83 HydrophobicContact CD2-CG 3.79Å; L79-L83 WeakPolarHBondContact O-CB 3.43Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.01Å; L79-L83 PolarHBondContact O-N 3.27Å
80S53.1Low52.7Low57 Ų5765.5 Ų65.540%0.39933%0.329SS..Hα-helixtrans-51.9-26.7169.968.30000112.3D77 P84D77-S80 PolarHBondContact O-N 2.78Å; D77-S80 PolarHBondContact O-OG 3.39Å; S80-P84 WeakPolarHBondContact O-CD 3.06Å
81W55.4Low53.2Low14 Ų1470 Ų705%0.05335%0.353CS..Hα-helixtrans-83.6-37.7177.6-66.95.3000114.2L56 P75 P78 L79 V102 T106L56-W81 HydrophobicContact CD1-CE3 3.8Å; L56-W81 HydrophobicContact CD1-CH2 4.06Å; L56-W81 HydrophobicContact CD1-CZ3 3.22Å; L56-W81 HydrophobicContact CD2-CH2 4.31Å; L56-W81 HydrophobicContact CD2-CZ3 3.64Å; L56-W81 HydrophobicContact CG-CZ3 4.04Å; P75-W81 VanDerWaalsContact CD-CH2 3.46Å; P75-W81 HydrophobicContact CG-CD2 3.88Å; P75-W81 HydrophobicContact CG-CG 4.17Å; P75-W81 HydrophobicContact CG-CZ2 3.82Å; P78-W81 VanDerWaalsContact O-CB 3.28Å; P78-W81 WeakPolarHBondContact O-CB 3.28Å; P78-W81 PolarHBondContact O-N 3.25Å; P78-W81 VanDerWaalsContact O-N 3.15Å; L79-W81 PolarHBondContact O-N 3.15Å; W81-V102 VanDerWaalsContact O-CG1 3.31Å; W81-V102 WeakPolarHBondContact O-CG1 3.16Å; W81-T106 HydrophobicContact CB-CG2 3.78Å; W81-T106 WeakPolarHBondContact CB-OG1 3.31Å; W81-T106 HydrophobicContact CD2-CG2 3.83Å; W81-T106 HydrophobicContact CG-CG2 3.33Å; W81-T106 PolarHBondContact O-OG1 3.37Å
82L55.7Low53.5Low1 Ų165.7 Ų65.71%0.00535%0.351CS..Hα-helixtrans-83.1-29.5179.2-75.4174.6000113.5M5 L48 I52 P78 L79 P84 A85 I86 I97 L99 V102M5-L82 HydrophobicContact SD-CD1 4.23Å; M5-L82 HydrophobicContact SD-CD2 4.41Å; L48-L82 HydrophobicContact CB-CD1 3.93Å; L48-L82 HydrophobicContact CD1-CD1 3.59Å; L48-L82 HydrophobicContact CD2-CD1 3.73Å; L48-L82 HydrophobicContact CG-CD1 3.95Å; I52-L82 HydrophobicContact CD1-CD1 3.16Å; I52-L82 HydrophobicContact CD1-CD2 4.14Å; I52-L82 HydrophobicContact CD1-CG 3.46Å; I52-L82 VanDerWaalsContact CD1-CG 3.46Å; I52-L82 HydrophobicContact CG1-CD1 4.36Å; P78-L82 PolarHBondContact O-N 3.36Å; L79-L82 PolarHBondContact O-N 2.96Å; L82-P84 VanDerWaalsContact C-CD 3.47Å; L82-P84 VanDerWaalsContact C-N 3.31Å; L82-A85 WeakPolarHBondContact O-CA 3.48Å; L82-A85 WeakPolarHBondContact O-CB 3.28Å; L82-A85 PolarHBondContact O-N 3.14Å; L82-I86 HydrophobicContact CB-CD1 3.76Å; L82-I86 HydrophobicContact CB-CG1 4.24Å; L82-I86 WeakPolarHBondContact O-CG1 3.29Å; L82-I86 PolarHBondContact O-N 3.21Å; L82-I97 HydrophobicContact CD2-CG2 4.35Å; L82-L99 HydrophobicContact CD2-CD2 3.73Å; L82-V102 HydrophobicContact CD2-CB 4.27Å; L82-V102 HydrophobicContact CD2-CG1 3.78Å; L82-V102 HydrophobicContact CD2-CG2 4.17Å; L82-V102 HydrophobicContact CG-CG1 4.43Å
83L56.5Low53.9Low82 Ų8268.9 Ų68.943%0.42937%0.366SS..Hα-helixtrans-50-46.2-175-83.8169.8000112.5L79 A85 I86 V87L79-L83 HydrophobicContact CD2-CD1 4.44Å; L79-L83 HydrophobicContact CD2-CD2 3.98Å; L79-L83 HydrophobicContact CD2-CG 3.79Å; L79-L83 WeakPolarHBondContact O-CB 3.43Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.01Å; L79-L83 PolarHBondContact O-N 3.27Å; L83-A85 VanDerWaalsContact C-N 3.28Å; L83-A85 PolarHBondContact O-N 3.32Å; L83-I86 PolarHBondContact O-N 3.47Å; L83-V87 VanDerWaalsContact O-CB 3.27Å; L83-V87 WeakPolarHBondContact O-CB 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.44Å; L83-V87 PolarHBondContact O-N 2.96Å
84P56.8Low54.4Low72 Ų7268.5 Ų68.547%0.46836%0.356SS..Hα-helixtrans-60.5-35.6177-24.334.8000113.8S80 L82 R88S80-P84 WeakPolarHBondContact O-CD 3.06Å; L82-P84 VanDerWaalsContact C-CD 3.47Å; L82-P84 VanDerWaalsContact C-N 3.31Å; P84-R88 WeakPolarHBondContact O-CD 3.29Å; P84-R88 VanDerWaalsContact O-CG 3.25Å; P84-R88 WeakPolarHBondContact O-CG 3.44Å; P84-R88 PolarHBondContact O-N 3.39Å
85A58.2Low55Low26 Ų2667.9 Ų67.922%0.21536%0.355CS..Hα-helixtrans-75.4-39.6178.100000111.8L82 L83 I97 V102L82-A85 WeakPolarHBondContact O-CA 3.48Å; L82-A85 WeakPolarHBondContact O-CB 3.28Å; L82-A85 PolarHBondContact O-N 3.14Å; L83-A85 VanDerWaalsContact C-N 3.28Å; L83-A85 PolarHBondContact O-N 3.32Å; A85-I97 HydrophobicContact CB-CD1 3.98Å; A85-I97 HydrophobicContact CB-CG2 4.3Å; A85-V102 HydrophobicContact CB-CG2 3.68Å
86I56.8Low55.7Low14 Ų1471.4 Ų71.47%0.07237%0.372CS..Hα-helixtrans-68.6-42.4177.3-61.3171.3000110.7M5 L7 L48 L82 L83 R88 M89 I97M5-I86 HydrophobicContact CE-CD1 4.49Å; L7-I86 HydrophobicContact CD1-CG1 4.09Å; L7-I86 HydrophobicContact CD1-CG2 4.37Å; L48-I86 HydrophobicContact CD1-CD1 4.29Å; L82-I86 HydrophobicContact CB-CD1 3.76Å; L82-I86 HydrophobicContact CB-CG1 4.24Å; L82-I86 WeakPolarHBondContact O-CG1 3.29Å; L82-I86 PolarHBondContact O-N 3.21Å; L83-I86 PolarHBondContact O-N 3.47Å; I86-R88 VanDerWaalsContact C-N 3.27Å; I86-R88 PolarHBondContact O-N 3.36Å; I86-M89 VanDerWaalsContact O-CB 3.28Å; I86-M89 WeakPolarHBondContact O-CB 3.38Å; I86-M89 PolarHBondContact O-N 3.36Å; I86-M89 VanDerWaalsContact O-N 3.14Å; I86-I97 HydrophobicContact CG1-CD1 3.87Å
87V55.2Low56.3Low102 Ų10260 Ų6062%0.61833%0.33SS*.Hα-helixtrans-70.2-24.1-176.71730000112.2L83 M89L83-V87 VanDerWaalsContact O-CB 3.27Å; L83-V87 WeakPolarHBondContact O-CB 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.44Å; L83-V87 PolarHBondContact O-N 2.96Å; V87-M89 PolarHBondContact O-N 2.88Å
88R57.1Low57.1Low218 Ų21857.4 Ų57.482%0.82332%0.316SS*.THydrogen-bonded Turntrans-72.8-9.5173.5-76.5174.8-177.9178.52113.9P84 I86P84-R88 WeakPolarHBondContact O-CD 3.29Å; P84-R88 VanDerWaalsContact O-CG 3.25Å; P84-R88 WeakPolarHBondContact O-CG 3.44Å; P84-R88 PolarHBondContact O-N 3.39Å; I86-R88 VanDerWaalsContact C-N 3.27Å; I86-R88 PolarHBondContact O-N 3.36Å
89M56.4Low57.9Low35 Ų3557.9 Ų57.917%0.17232%0.318CS..SBendtrans-81.6132.1177.2-66.9-146.367.100111L7 I86 V87 G95L7-M89 HydrophobicContact CB-SD 4Å; L7-M89 HydrophobicContact CD1-CG 4.34Å; L7-M89 HydrophobicContact CD1-SD 3.36Å; L7-M89 WeakPolarHBondContact CD1-SD 3.22Å; L7-M89 HydrophobicContact CG-SD 4.28Å; I86-M89 VanDerWaalsContact O-CB 3.28Å; I86-M89 WeakPolarHBondContact O-CB 3.38Å; I86-M89 PolarHBondContact O-N 3.36Å; I86-M89 VanDerWaalsContact O-N 3.14Å; V87-M89 PolarHBondContact O-N 2.88Å; M89-G95 VanDerWaalsContact CE-N 3.33Å
90S56.3Low58.6Low64 Ų6458.7 Ų58.745%0.44832%0.323SS..PPolyproline II helixtrans-63.1141.6172.9-35.30000109.8G92 E93S90-G92 PolarHBondContact O-N 2.84Å; S90-E93 WeakPolarHBondContact CB-OE2 3.36Å; S90-E93 PolarHBondContact O-N 2.82Å; S90-E93 VanDerWaalsContact O-N 3.13Å; S90-E93 PolarHBondContact OG-OE2 2.65Å
91L57.4Low59.2Low103 Ų10360.6 Ų60.654%0.53933%0.328SS..THydrogen-bonded Turntrans-58.5135.4174-64.7175.1000109.7V10 K12 E93V10-L91 HydrophobicContact CB-CD2 4.16Å; V10-L91 HydrophobicContact CG1-CD2 3.59Å; V10-L91 CarbonylContact O-C 3.3Å; V10-L91 VanDerWaalsContact O-CA 3.3Å; V10-L91 WeakPolarHBondContact O-CA 3.1Å; V10-L91 WeakPolarHBondContact O-CD2 3.47Å; K12-L91 HydrophobicContact CB-CD1 4.19Å; L91-E93 VanDerWaalsContact C-N 3.25Å; L91-E93 PolarHBondContact O-N 2.99Å
92G52.5Low59.6Low48 Ų4860.8 Ų60.850%0.49533%0.331SS..THydrogen-bonded Turntrans79.7-7.1-178.100000115.6V10 S90V10-G92 PolarHBondContact O-N 3.49Å; S90-G92 PolarHBondContact O-N 2.84Å
93E57.3Low60Low106 Ų10661 Ų6150%0.49533%0.333SS..  trans-83.6141173.6-74.2-174.5150.600111.7S90 L91S90-E93 WeakPolarHBondContact CB-OE2 3.36Å; S90-E93 PolarHBondContact O-N 2.82Å; S90-E93 VanDerWaalsContact O-N 3.13Å; S90-E93 PolarHBondContact OG-OE2 2.65Å; L91-E93 VanDerWaalsContact C-N 3.25Å; L91-E93 PolarHBondContact O-N 2.99Å
94E59.8Low60.3Low111 Ų11162.6 Ų62.652%0.51933%0.333SS..  trans-79.8144.5161.8-61.5-168.7163.900108.9K6 L7 H8K6-E94 WeakPolarHBondContact CE-OE2 3.41Å; K6-E94 IonicContact NZ-OE2 2.69Å; K6-E94 PolarHBondContact NZ-OE2 3.18Å; L7-E94 VanDerWaalsContact O-CA 3.29Å; L7-E94 WeakPolarHBondContact O-CA 3.35Å; H8-E94 IonicContact CE1-OE1 3.18Å; H8-E94 PolarHBondContact CE1-OE1 3.12Å; H8-E94 IonicContact CE1-OE2 3.85Å; H8-E94 IonicContact CG-OE1 3.84Å; H8-E94 IonicContact ND1-OE1 2.74Å; H8-E94 PolarHBondContact ND1-OE1 3.08Å; H8-E94 IonicContact ND1-OE2 3.99Å
95G61.4Low60.7Low16 Ų1661.6 Ų61.617%0.16533%0.331CS..EExtended strand (participates in β ladder)trans-164.3165.2169.600000114.4K6 L7 M89K6-G95 WeakPolarHBondContact CA-O 3.01Å; L7-G95 PolarHBondContact N-O 3.31Å; L7-G95 PolarHBondContact O-N 2.74Å; M89-G95 VanDerWaalsContact CE-N 3.33Å
96L62.9Low60.8Low104 Ų10461.3 Ų61.355%0.54533%0.327SS..EExtended strand (participates in β ladder)trans-109113.3-167.4-161.872.6000107.8H4 M5 K6H4-L96 HydrophobicContact CB-CD1 3.6Å; H4-L96 HydrophobicContact CB-CD2 4.17Å; H4-L96 HydrophobicContact CB-CG 3.84Å; M5-L96 WeakPolarHBondContact O-CA 3.49Å; K6-L96 HydrophobicContact CB-CD1 4.35Å
97I64.4Low61.1Low12 Ų1261.6 Ų61.66%0.06233%0.328CS..EExtended strand (participates in β ladder)trans-95.2119.8171.7-62.9-174.4000107.3H4 M5 L7 L82 A85 I86 L99 V102H4-I97 CarbonylContact C-O 3.51Å; H4-I97 WeakPolarHBondContact CA-O 3.48Å; M5-I97 HydrophobicContact CB-CB 4.29Å; M5-I97 PolarHBondContact N-O 2.9Å; M5-I97 PolarHBondContact O-N 2.69Å; L7-I97 HydrophobicContact CD1-CD1 3.27Å; L7-I97 HydrophobicContact CD1-CG1 3.9Å; L7-I97 HydrophobicContact CG-CD1 4.36Å; L82-I97 HydrophobicContact CD2-CG2 4.35Å; A85-I97 HydrophobicContact CB-CD1 3.98Å; A85-I97 HydrophobicContact CB-CG2 4.3Å; I86-I97 HydrophobicContact CG1-CD1 3.87Å; I97-L99 HydrophobicContact CG2-CD2 4.38Å; I97-L99 PolarHBondContact O-N 3.36Å; I97-V102 HydrophobicContact CG2-CG2 3.31Å
98D67.1Low61.6Low15 Ų1561.1 Ų61.18%0.0832%0.319CS..EExtended strand (participates in β ladder)trans-76.7113.9165.9-167.3-22.4000108.4R2 H4 D100 D101 V102R2-D98 WeakPolarHBondContact CD-OD2 3.22Å; R2-D98 IonicContact NE-OD2 3.93Å; R2-D98 IonicContact NH1-OD2 3.62Å; H4-D98 IonicContact NE2-OD2 3.75Å; D98-D100 PolarHBondContact O-N 2.95Å; D98-D100 WeakPolarHBondContact OD1-CB 3.41Å; D98-D100 PolarHBondContact OD1-N 2.99Å; D98-D101 HydrophobicContact CB-CB 4.08Å; D98-D101 PolarHBondContact O-N 3.26Å; D98-V102 PolarHBondContact O-N 3.43Å
99L65.4Low61.8Low10 Ų1052.8 Ų52.85%0.05230%0.296CS..Hα-helixtrans-68.9-25.5-179.6-62.5177.6000111.7R3 M5 F25 L82 I97 A103R3-L99 HydrophobicContact CB-CB 4.33Å; R3-L99 HydrophobicContact CB-CD1 4.02Å; R3-L99 VanDerWaalsContact O-CB 3.28Å; R3-L99 WeakPolarHBondContact O-CB 3.22Å; R3-L99 WeakPolarHBondContact O-CG 3.37Å; R3-L99 PolarHBondContact O-N 2.92Å; M5-L99 HydrophobicContact CB-CD1 4.33Å; M5-L99 HydrophobicContact CB-CD2 3.91Å; M5-L99 HydrophobicContact CB-CG 4.07Å; M5-L99 HydrophobicContact SD-CD2 4.03Å; F25-L99 HydrophobicContact CD1-CD1 4.39Å; F25-L99 HydrophobicContact CE1-CD1 3.8Å; L82-L99 HydrophobicContact CD2-CD2 3.73Å; I97-L99 HydrophobicContact CG2-CD2 4.38Å; I97-L99 PolarHBondContact O-N 3.36Å; L99-A103 VanDerWaalsContact O-CB 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.32Å; L99-A103 PolarHBondContact O-N 2.62Å
100D64.3Low62.2Low23 Ų2353.4 Ų53.412%0.12330%0.297CS..Hα-helixtrans-66.1-42.7173.9-74.7-5.1000109.5W55 R59 D98 W104W55-D100 HydrophobicContact CZ2-CB 4.47Å; W55-D100 WeakPolarHBondContact CZ2-OD1 3.42Å; W55-D100 PolarHBondContact NE1-OD1 3.13Å; R59-D100 IonicContact NH2-OD1 3.33Å; R59-D100 PolarHBondContact NH2-OD1 3.42Å; R59-D100 IonicContact NH2-OD2 3.13Å; R59-D100 PolarHBondContact NH2-OD2 3.12Å; R59-D100 VanDerWaalsContact NH2-OD2 3.13Å; D98-D100 PolarHBondContact O-N 2.95Å; D98-D100 WeakPolarHBondContact OD1-CB 3.41Å; D98-D100 PolarHBondContact OD1-N 2.99Å; D100-W104 VanDerWaalsContact O-CB 3.31Å; D100-W104 WeakPolarHBondContact O-CB 3.48Å; D100-W104 PolarHBondContact O-N 3.47Å
101D66.4Low62.5Low97 Ų9750.7 Ų50.752%0.51928%0.278SS..Hα-helixtrans-68.7-43.5178.8-73-13.7000111.8D98 W104 A105D98-D101 HydrophobicContact CB-CB 4.08Å; D98-D101 PolarHBondContact O-N 3.26Å; D101-W104 PolarHBondContact O-N 3.48Å; D101-A105 VanDerWaalsContact O-CB 3.27Å; D101-A105 WeakPolarHBondContact O-CB 3.34Å; D101-A105 PolarHBondContact O-N 3.21Å
102V64.3Low62.8Low18 Ų1848.1 Ų48.111%0.10927%0.271CS..Hα-helixtrans-59.1-52.5175.7172.70000110W81 L82 A85 I97 D98 W104 A105 T106W81-V102 VanDerWaalsContact O-CG1 3.31Å; W81-V102 WeakPolarHBondContact O-CG1 3.16Å; L82-V102 HydrophobicContact CD2-CB 4.27Å; L82-V102 HydrophobicContact CD2-CG1 3.78Å; L82-V102 HydrophobicContact CD2-CG2 4.17Å; L82-V102 HydrophobicContact CG-CG1 4.43Å; A85-V102 HydrophobicContact CB-CG2 3.68Å; I97-V102 HydrophobicContact CG2-CG2 3.31Å; D98-V102 PolarHBondContact O-N 3.43Å; V102-W104 VanDerWaalsContact C-N 3.3Å; V102-W104 PolarHBondContact O-N 2.67Å; V102-A105 PolarHBondContact O-N 2.7Å; V102-T106 PolarHBondContact O-N 2.88Å; V102-T106 PolarHBondContact O-OG1 3.45Å
103A63.1Low63.3Low5 Ų551.7 Ų51.74%0.04128%0.275CS..Hα-helixtrans-64.2-37.4-177.500000112.9W55 F70 L99 T106 N107W55-A103 HydrophobicContact CE3-CB 4.14Å; W55-A103 HydrophobicContact CH2-CB 3.26Å; W55-A103 HydrophobicContact CZ2-CB 4.47Å; W55-A103 HydrophobicContact CZ3-CB 3.05Å; F70-A103 HydrophobicContact CE1-CB 4.31Å; F70-A103 WeakPolarHBondContact CE1-O 3.05Å; F70-A103 HydrophobicContact CE2-CB 4.5Å; F70-A103 HydrophobicContact CZ-CB 3.71Å; L99-A103 VanDerWaalsContact O-CB 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.32Å; L99-A103 PolarHBondContact O-N 2.62Å; A103-T106 PolarHBondContact O-N 2.82Å; A103-N107 VanDerWaalsContact O-CB 3.26Å; A103-N107 WeakPolarHBondContact O-CB 3.42Å; A103-N107 PolarHBondContact O-N 3.13Å
104W64.2Low63.4Low116 Ų11649 Ų4944%0.43926%0.262SS..Hα-helixtrans-60.3-51.9173.1-17979.6000111.1L68 D100 D101 V102 T106 N107 H108L68-W104 HydrophobicContact CD1-CB 4.28Å; L68-W104 VanDerWaalsContact CD1-CD1 3.42Å; L68-W104 HydrophobicContact CD1-CG 4.19Å; L68-W104 VanDerWaalsContact CD2-CD1 3.42Å; D100-W104 VanDerWaalsContact O-CB 3.31Å; D100-W104 WeakPolarHBondContact O-CB 3.48Å; D100-W104 PolarHBondContact O-N 3.47Å; D101-W104 PolarHBondContact O-N 3.48Å; V102-W104 VanDerWaalsContact C-N 3.3Å; V102-W104 PolarHBondContact O-N 2.67Å; W104-T106 VanDerWaalsContact C-N 3.29Å; W104-T106 PolarHBondContact O-N 3.25Å; W104-N107 PolarHBondContact O-N 2.8Å; W104-H108 AromaticContact CD1-CD2 3.9Å; W104-H108 AromaticContact CD2-CD2 3.77Å; W104-H108 AromaticContact CE2-CD2 3.21Å; W104-H108 AromaticContact CE2-NE2 3.35Å; W104-H108 AromaticContact CZ2-CD2 3.38Å; W104-H108 WeakPolarHBondContact CZ2-CD2 3.41Å; W104-H108 AromaticContact CZ2-CE1 3.89Å; W104-H108 AromaticContact CZ2-NE2 3.29Å; W104-H108 VanDerWaalsContact CZ2-NE2 3.29Å; W104-H108 WeakPolarHBondContact CZ2-NE2 3.46Å; W104-H108 AromaticContact NE1-CD2 3.32Å; W104-H108 PolarHBondContact NE1-CD2 2.77Å; W104-H108 VanDerWaalsContact NE1-CD2 3.32Å; W104-H108 AromaticContact NE1-NE2 3.27Å; W104-H108 PolarHBondContact NE1-NE2 3.13Å; W104-H108 PolarHBondContact O-CD2 3.13Å; W104-H108 PolarHBondContact O-N 2.72Å
105A63.7Low63.4Low50 Ų5048.1 Ų48.141%0.41325%0.254SS..Hα-helixtrans-58.8-42.4179.700000111D101 V102 H108 A109D101-A105 VanDerWaalsContact O-CB 3.27Å; D101-A105 WeakPolarHBondContact O-CB 3.34Å; D101-A105 PolarHBondContact O-N 3.21Å; V102-A105 PolarHBondContact O-N 2.7Å; A105-H108 PolarHBondContact O-N 2.98Å; A105-A109 PolarHBondContact O-N 3.09Å
106T61.9Low63.3Low21 Ų2154.8 Ų54.813%0.12929%0.285CS..Hα-helixtrans-78.2-33.6-178-29.60000114.1W81 V102 A103 W104 H108 A109 W110W81-T106 HydrophobicContact CB-CG2 3.78Å; W81-T106 WeakPolarHBondContact CB-OG1 3.31Å; W81-T106 HydrophobicContact CD2-CG2 3.83Å; W81-T106 HydrophobicContact CG-CG2 3.33Å; W81-T106 PolarHBondContact O-OG1 3.37Å; V102-T106 PolarHBondContact O-N 2.88Å; V102-T106 PolarHBondContact O-OG1 3.45Å; A103-T106 PolarHBondContact O-N 2.82Å; W104-T106 VanDerWaalsContact C-N 3.29Å; W104-T106 PolarHBondContact O-N 3.25Å; T106-H108 VanDerWaalsContact C-N 3.26Å; T106-H108 PolarHBondContact O-N 2.8Å; T106-A109 HydrophobicContact CG2-CB 4.49Å; T106-A109 PolarHBondContact O-N 3.45Å; T106-W110 WeakPolarHBondContact O-CB 3.4Å; T106-W110 PolarHBondContact O-N 3.17Å
107N62.9Low63.1Low20 Ų2052.8 Ų52.811%0.10728%0.28CS..Hα-helixtrans-61.9-39.5168.8176.770.9000111.1F70 A103 W104 W110 V111F70-N107 HydrophobicContact CD1-CB 3.53Å; F70-N107 VanDerWaalsContact CD1-CG 3.46Å; F70-N107 HydrophobicContact CE1-CB 3.35Å; A103-N107 VanDerWaalsContact O-CB 3.26Å; A103-N107 WeakPolarHBondContact O-CB 3.42Å; A103-N107 PolarHBondContact O-N 3.13Å; W104-N107 PolarHBondContact O-N 2.8Å; N107-W110 PolarHBondContact O-N 2.87Å; N107-V111 VanDerWaalsContact O-CB 3.31Å; N107-V111 WeakPolarHBondContact O-CB 3.21Å; N107-V111 WeakPolarHBondContact O-CG2 3.31Å; N107-V111 PolarHBondContact O-N 3.46Å
108H65.4Low62.8Low92 Ų9255.3 Ų55.343%0.42631%0.309SS..Hα-helixtrans-63-41.7173-95-87.7000112.6W104 A105 T106 A112W104-H108 AromaticContact CD1-CD2 3.9Å; W104-H108 AromaticContact CD2-CD2 3.77Å; W104-H108 AromaticContact CE2-CD2 3.21Å; W104-H108 AromaticContact CE2-NE2 3.35Å; W104-H108 AromaticContact CZ2-CD2 3.38Å; W104-H108 WeakPolarHBondContact CZ2-CD2 3.41Å; W104-H108 AromaticContact CZ2-CE1 3.89Å; W104-H108 AromaticContact CZ2-NE2 3.29Å; W104-H108 VanDerWaalsContact CZ2-NE2 3.29Å; W104-H108 WeakPolarHBondContact CZ2-NE2 3.46Å; W104-H108 AromaticContact NE1-CD2 3.32Å; W104-H108 PolarHBondContact NE1-CD2 2.77Å; W104-H108 VanDerWaalsContact NE1-CD2 3.32Å; W104-H108 AromaticContact NE1-NE2 3.27Å; W104-H108 PolarHBondContact NE1-NE2 3.13Å; W104-H108 PolarHBondContact O-CD2 3.13Å; W104-H108 PolarHBondContact O-N 2.72Å; A105-H108 PolarHBondContact O-N 2.98Å; T106-H108 VanDerWaalsContact C-N 3.26Å; T106-H108 PolarHBondContact O-N 2.8Å; H108-A112 VanDerWaalsContact O-CB 3.31Å; H108-A112 WeakPolarHBondContact O-CB 3.35Å; H108-A112 PolarHBondContact O-N 3.12Å
109A61.9Low62.4Low42 Ų4260.2 Ų60.235%0.34734%0.335SS..Hα-helixtrans-63.3-47.5175.100000111.8A105 T106 V111 A112 E113A105-A109 PolarHBondContact O-N 3.09Å; T106-A109 HydrophobicContact CG2-CB 4.49Å; T106-A109 PolarHBondContact O-N 3.45Å; A109-V111 PolarHBondContact O-N 2.84Å; A109-A112 WeakPolarHBondContact O-CB 3.42Å; A109-A112 PolarHBondContact O-N 3.23Å; A109-A112 VanDerWaalsContact O-N 3.12Å; A109-E113 WeakPolarHBondContact O-CG 3.42Å; A109-E113 PolarHBondContact O-N 2.81Å
110W62.8Low61.9Low49 Ų4960.2 Ų60.219%0.18634%0.336CS..Hα-helixtrans-60.9-44.8177.4-17890.8000111.8H72 T106 N107 A112 E113 H114 V120H72-W110 HydrophobicContact CB-CE3 3.89Å; H72-W110 HydrophobicContact CB-CH2 3.91Å; H72-W110 HydrophobicContact CB-CZ3 3.52Å; H72-W110 AromaticContact CD2-CZ3 3.57Å; H72-W110 AromaticContact CE1-CZ3 3.88Å; H72-W110 AromaticContact CG-CE3 3.84Å; H72-W110 AromaticContact CG-CH2 3.79Å; H72-W110 AromaticContact CG-CZ3 3.17Å; H72-W110 AromaticContact ND1-CH2 3.71Å; H72-W110 AromaticContact ND1-CZ3 3.4Å; H72-W110 WeakPolarHBondContact ND1-CZ3 3.46Å; T106-W110 WeakPolarHBondContact O-CB 3.4Å; T106-W110 PolarHBondContact O-N 3.17Å; N107-W110 PolarHBondContact O-N 2.87Å; W110-A112 VanDerWaalsContact C-N 3.31Å; W110-A112 PolarHBondContact O-N 3.35Å; W110-E113 PolarHBondContact O-N 2.94Å; W110-H114 AromaticContact CD1-CE1 3.51Å; W110-H114 AromaticContact CD1-ND1 3.69Å; W110-H114 AromaticContact CD2-ND1 3.65Å; W110-H114 AromaticContact CE2-CD2 3.85Å; W110-H114 AromaticContact CE2-CE1 3.32Å; W110-H114 AromaticContact CE2-CG 3.73Å; W110-H114 AromaticContact CE2-ND1 3.37Å; W110-H114 AromaticContact CE2-NE2 3.6Å; W110-H114 AromaticContact CG-ND1 3.86Å; W110-H114 HydrophobicContact CH2-CB 4.3Å; W110-H114 AromaticContact CH2-CD2 3.94Å; W110-H114 AromaticContact CH2-CG 3.94Å; W110-H114 HydrophobicContact CZ2-CB 4.49Å; W110-H114 AromaticContact CZ2-CD2 3.46Å; W110-H114 VanDerWaalsContact CZ2-CD2 3.46Å; W110-H114 WeakPolarHBondContact CZ2-CD2 3.46Å; W110-H114 AromaticContact CZ2-CE1 3.73Å; W110-H114 AromaticContact CZ2-CG 3.66Å; W110-H114 AromaticContact CZ2-ND1 3.8Å; W110-H114 AromaticContact CZ2-NE2 3.51Å; W110-H114 HydrophobicContact CZ3-CB 4.33Å; W110-H114 AromaticContact NE1-CE1 2.99Å; W110-H114 PolarHBondContact NE1-CE1 2.82Å; W110-H114 AromaticContact NE1-ND1 3.42Å; W110-H114 PolarHBondContact NE1-ND1 3.47Å; W110-H114 AromaticContact NE1-NE2 3.52Å; W110-H114 WeakPolarHBondContact O-CB 3.29Å; W110-H114 PolarHBondContact O-N 2.99Å; W110-H114 PolarHBondContact O-ND1 3.42Å; W110-V120 HydrophobicContact CH2-CG2 3.9Å; W110-V120 HydrophobicContact CZ3-CG2 3.67Å
111V63.6Low61.3Low7 Ų763.7 Ų63.74%0.04236%0.36CS..Hα-helixtrans-62.2-41175167.30000110.2N107 A109 R115 V120N107-V111 VanDerWaalsContact O-CB 3.31Å; N107-V111 WeakPolarHBondContact O-CB 3.21Å; N107-V111 WeakPolarHBondContact O-CG2 3.31Å; N107-V111 PolarHBondContact O-N 3.46Å; A109-V111 PolarHBondContact O-N 2.84Å; V111-R115 HydrophobicContact CG1-CG 4.16Å; V111-R115 WeakPolarHBondContact O-CB 3.42Å; V111-R115 WeakPolarHBondContact O-CG 3.39Å; V111-R115 PolarHBondContact O-N 2.86Å; V111-V120 HydrophobicContact CG1-CG1 4.36Å
112A64.4Low60.6Low48 Ų4866.1 Ų66.140%0.39737%0.372SS..Hα-helixtrans-63.1-47.6176.300000111.5H108 A109 W110 H114 R115 L116H108-A112 VanDerWaalsContact O-CB 3.31Å; H108-A112 WeakPolarHBondContact O-CB 3.35Å; H108-A112 PolarHBondContact O-N 3.12Å; A109-A112 WeakPolarHBondContact O-CB 3.42Å; A109-A112 PolarHBondContact O-N 3.23Å; A109-A112 VanDerWaalsContact O-N 3.12Å; W110-A112 VanDerWaalsContact C-N 3.31Å; W110-A112 PolarHBondContact O-N 3.35Å; A112-H114 PolarHBondContact O-N 3.26Å; A112-R115 PolarHBondContact O-N 3.32Å; A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.12Å; A112-L116 PolarHBondContact O-N 3.47Å
113E62Low59.6Low123 Ų12368.9 Ų68.958%0.57540%0.396SS*.Hα-helixtrans-59.3-46.2176.3-73.2174.7-179.200112A109 W110 L116 S117A109-E113 WeakPolarHBondContact O-CG 3.42Å; A109-E113 PolarHBondContact O-N 2.81Å; W110-E113 PolarHBondContact O-N 2.94Å; E113-L116 WeakPolarHBondContact O-CB 3.18Å; E113-L116 PolarHBondContact O-N 3.04Å; E113-S117 PolarHBondContact O-N 3Å
114H59.8Low58.7Low51 Ų5172.5 Ų72.524%0.23641%0.414CS..Hα-helixtrans-77.4-22.6-178.7-72.864.9000113W110 A112 S117 G118 N119 V120W110-H114 AromaticContact CD1-CE1 3.51Å; W110-H114 AromaticContact CD1-ND1 3.69Å; W110-H114 AromaticContact CD2-ND1 3.65Å; W110-H114 AromaticContact CE2-CD2 3.85Å; W110-H114 AromaticContact CE2-CE1 3.32Å; W110-H114 AromaticContact CE2-CG 3.73Å; W110-H114 AromaticContact CE2-ND1 3.37Å; W110-H114 AromaticContact CE2-NE2 3.6Å; W110-H114 AromaticContact CG-ND1 3.86Å; W110-H114 HydrophobicContact CH2-CB 4.3Å; W110-H114 AromaticContact CH2-CD2 3.94Å; W110-H114 AromaticContact CH2-CG 3.94Å; W110-H114 HydrophobicContact CZ2-CB 4.49Å; W110-H114 AromaticContact CZ2-CD2 3.46Å; W110-H114 VanDerWaalsContact CZ2-CD2 3.46Å; W110-H114 WeakPolarHBondContact CZ2-CD2 3.46Å; W110-H114 AromaticContact CZ2-CE1 3.73Å; W110-H114 AromaticContact CZ2-CG 3.66Å; W110-H114 AromaticContact CZ2-ND1 3.8Å; W110-H114 AromaticContact CZ2-NE2 3.51Å; W110-H114 HydrophobicContact CZ3-CB 4.33Å; W110-H114 AromaticContact NE1-CE1 2.99Å; W110-H114 PolarHBondContact NE1-CE1 2.82Å; W110-H114 AromaticContact NE1-ND1 3.42Å; W110-H114 PolarHBondContact NE1-ND1 3.47Å; W110-H114 AromaticContact NE1-NE2 3.52Å; W110-H114 WeakPolarHBondContact O-CB 3.29Å; W110-H114 PolarHBondContact O-N 2.99Å; W110-H114 PolarHBondContact O-ND1 3.42Å; A112-H114 PolarHBondContact O-N 3.26Å; H114-S117 WeakPolarHBondContact CA-OG 3.45Å; H114-S117 PolarHBondContact O-OG 2.97Å; H114-S117 VanDerWaalsContact O-OG 3.13Å; H114-G118 PolarHBondContact O-N 3.19Å; H114-N119 HydrophobicContact CB-CB 4.19Å; H114-N119 PolarHBondContact O-N 2.86Å; H114-V120 HydrophobicContact CB-CB 4.16Å; H114-V120 HydrophobicContact CB-CG2 3.46Å; H114-V120 VanDerWaalsContact CB-CG2 3.46Å; H114-V120 PolarHBondContact O-N 2.83Å; H114-V120 VanDerWaalsContact O-N 3.11Å
115R59.2Low57.4Low91 Ų9170.8 Ų70.834%0.34342%0.418SS..Hα-helixtrans-68-42166.8-81.8174.3175.8-179-0.8110.8V111 A112 S117 G118 V120V111-R115 HydrophobicContact CG1-CG 4.16Å; V111-R115 WeakPolarHBondContact O-CB 3.42Å; V111-R115 WeakPolarHBondContact O-CG 3.39Å; V111-R115 PolarHBondContact O-N 2.86Å; A112-R115 PolarHBondContact O-N 3.32Å; R115-S117 PolarHBondContact O-N 3.5Å; R115-G118 PolarHBondContact O-N 3.11Å; R115-G118 VanDerWaalsContact O-N 3.12Å; R115-V120 HydrophobicContact CG-CB 4.12Å; R115-V120 HydrophobicContact CG-CG1 4.05Å
116L58.5Low56.2Low157 Ų15775 Ų7582%0.82244%0.441SS*.Hα-helixtrans-63.6-32.7175.5-69.3170.8000111.7A112 E113 G118A112-L116 VanDerWaalsContact O-CG 3.29Å; A112-L116 WeakPolarHBondContact O-CG 3.12Å; A112-L116 PolarHBondContact O-N 3.47Å; E113-L116 WeakPolarHBondContact O-CB 3.18Å; E113-L116 PolarHBondContact O-N 3.04Å; L116-G118 VanDerWaalsContact C-N 3.31Å
117S60.5Low54.9Low62 Ų6276.5 Ų76.543%0.43446%0.461SS..THydrogen-bonded Turntrans-85.62.9175.9790000114.3E113 H114 R115 N119E113-S117 PolarHBondContact O-N 3Å; H114-S117 WeakPolarHBondContact CA-OG 3.45Å; H114-S117 PolarHBondContact O-OG 2.97Å; H114-S117 VanDerWaalsContact O-OG 3.13Å; R115-S117 PolarHBondContact O-N 3.5Å; S117-N119 PolarHBondContact O-N 3.33Å; S117-N119 VanDerWaalsContact O-N 3.16Å; S117-N119 WeakPolarHBondContact OG-CB 3.44Å; S117-N119 VanDerWaalsContact OG-CG 3.29Å; S117-N119 PolarHBondContact OG-ND2 3.16Å
118G58.2Low53.5Low65 Ų6583.8 Ų83.867%0.6749%0.494SS*.THydrogen-bonded Turntrans68.64.7-176.500000115.3H114 R115 L116 V120H114-G118 PolarHBondContact O-N 3.19Å; R115-G118 PolarHBondContact O-N 3.11Å; R115-G118 VanDerWaalsContact O-N 3.12Å; L116-G118 VanDerWaalsContact C-N 3.31Å; G118-V120 VanDerWaalsContact C-N 3.33Å
119N58.7Low52.2Low118 Ų11894.9 Ų94.963%0.63153%0.532SS*.  trans-79.7-14.6-177.9-71.9-29.8000113.1H114 S117H114-N119 HydrophobicContact CB-CB 4.19Å; H114-N119 PolarHBondContact O-N 2.86Å; S117-N119 PolarHBondContact O-N 3.33Å; S117-N119 VanDerWaalsContact O-N 3.16Å; S117-N119 WeakPolarHBondContact OG-CB 3.44Å; S117-N119 VanDerWaalsContact OG-CG 3.29Å; S117-N119 PolarHBondContact OG-ND2 3.16Å
120V53.6Low51.7Low10 Ų1097.6 Ų97.66%0.06154%0.542CS..SBendtrans-122.1128.6176.6171.60000109.6W110 V111 H114 R115 G118 L122W110-V120 HydrophobicContact CH2-CG2 3.9Å; W110-V120 HydrophobicContact CZ3-CG2 3.67Å; V111-V120 HydrophobicContact CG1-CG1 4.36Å; H114-V120 HydrophobicContact CB-CB 4.16Å; H114-V120 HydrophobicContact CB-CG2 3.46Å; H114-V120 VanDerWaalsContact CB-CG2 3.46Å; H114-V120 PolarHBondContact O-N 2.83Å; H114-V120 VanDerWaalsContact O-N 3.11Å; R115-V120 HydrophobicContact CG-CB 4.12Å; R115-V120 HydrophobicContact CG-CG1 4.05Å; G118-V120 VanDerWaalsContact C-N 3.33Å; V120-L122 PolarHBondContact O-N 3.23Å
121P52.2Low51.1Low96 Ų96100.1 Ų100.162%0.62356%0.56SS**  trans-54.8131.6175-22.831.4000111.4A123P121-A123 PolarHBondContact O-N 3.12Å
122L51.7Low50.4Low148 Ų148105.3 Ų105.378%0.77559%0.589SS**SBendtrans-56.4-31.9176.7-90.2154.4000112.1V120 L124V120-L122 PolarHBondContact O-N 3.23Å; L122-L124 PolarHBondContact O-N 3.4Å
123A43.3Very low49.6Very low75 Ų75108.6 Ų108.662%0.6260%0.601SS**  trans-93.496.8174.100000110.2P121 P125P121-A123 PolarHBondContact O-N 3.12Å; A123-P125 WeakPolarHBondContact O-CD 3.44Å
124L43.4Very low48.8Very low81 Ų81107.8 Ų107.842%0.42460%0.602SS.*  trans-66.9121.1145-86.2164.1000104.9L122L122-L124 PolarHBondContact O-N 3.4Å
125P37.3Very low48.1Very low81 Ų81111.5 Ų111.553%0.52663%0.627SS.*  trans-55.4130.1-179.118.3-28.4000108.9A123 G127A123-P125 WeakPolarHBondContact O-CD 3.44Å; P125-G127 PolarHBondContact O-N 3.13Å
126P38.8Very low47.3Very low138 Ų138113 Ų11390%0.89665%0.647SS**SBendtrans-66.4100.8172.827.1-30.1000106.7
127G34.9Very low46.4Very low53 Ų53109.6 Ų109.655%0.54663%0.633SS.*  trans-164.519.3-168.200000117.1P125P125-G127 PolarHBondContact O-N 3.13Å
128H33.9Very low45.3Very low172 Ų172113.6 Ų113.680%0.79665%0.65SS**  trans-147.273.3165.3-72.6-65.8000110
129R37.3Very low44.1Very low326 Ų326118 Ų118100%1.2365%0.648SS**  trans-1190146.7-85.9-171.1-179.3-1770.9106.9

Retrieved 129 of 129 residues in 55.2 ms (Link to these results)

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