A0A087XNK2_POEFO Loading...

N-acetylneuraminate-9-phosphate synthase

Contributes to protect fish blood from freezing at subzero sea water temperatures. Lowers the blood freezing point. Binds to nascent ice crystals and prevents further growth.

AlphaFold DB , UniProt , Accession A0A087XNK2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 359 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
1M56.3Low88Confident218 Ų21867.5 Ų67.5100%1.07438%0.376SS*.  01330-72.5-174.2-77.300106.5
2P62.3Low88.8Confident50 Ų5064.4 Ų64.433%0.32536%0.362SS..PPolyproline II helixtrans-57145.7178.323.5-31.9000109.9E4 P208P2-E4 PolarHBondContact O-N 2.94Å; P2-P208 WeakPolarHBondContact CA-O 3.48Å
3L76.9Confident89.5Confident60 Ų6059.5 Ų59.531%0.31433%0.334SS..PPolyproline II helixtrans-55.3130.7179.2-170.2109.9000109.8F5 D209 P211L3-F5 HydrophobicContact CD2-CB 3.97Å; L3-F5 HydrophobicContact CD2-CD1 3.8Å; L3-F5 HydrophobicContact CD2-CG 4.24Å; L3-D209 WeakPolarHBondContact CB-O 3.45Å; L3-D209 PolarHBondContact N-O 2.62Å; L3-P211 WeakPolarHBondContact O-CD 3.26Å; L3-P211 VanDerWaalsContact O-CG 3.29Å; L3-P211 WeakPolarHBondContact O-CG 3.07Å
4E92.6Very high89.9Confident99 Ų9955.4 Ų55.446%0.46331%0.311SS..PPolyproline II helixtrans-93.6130.8167-63.6-178.2-172.800107.8P2 I13 G15 H17P2-E4 PolarHBondContact O-N 2.94Å; E4-I13 WeakPolarHBondContact CA-O 3.33Å; E4-G15 WeakPolarHBondContact OE1-CA 3.41Å; E4-H17 IonicContact OE2-CD2 3.96Å; E4-H17 PolarHBondContact OE2-CD2 2.98Å; E4-H17 IonicContact OE2-CE1 3.59Å; E4-H17 IonicContact OE2-NE2 3.39Å; E4-H17 PolarHBondContact OE2-NE2 2.89Å
5F96Very high89.9Confident12 Ų1253.1 Ų53.15%0.05331%0.306CS..EExtended strand (participates in β ladder)trans-148.7156.3176.571.7-89.2000111.2L3 L7 P12 I13 P152 N178 P211L3-F5 HydrophobicContact CD2-CB 3.97Å; L3-F5 HydrophobicContact CD2-CD1 3.8Å; L3-F5 HydrophobicContact CD2-CG 4.24Å; F5-L7 HydrophobicContact CE2-CB 4.23Å; F5-L7 HydrophobicContact CE2-CD1 4.06Å; F5-L7 PolarHBondContact O-N 3.44Å; F5-P12 CarbonylContact O-C 3.57Å; F5-P12 VanDerWaalsContact O-CA 3.27Å; F5-P12 WeakPolarHBondContact O-CA 3.47Å; F5-I13 HydrophobicContact CD1-CG1 4.24Å; F5-I13 HydrophobicContact CE1-CD1 3.82Å; F5-I13 HydrophobicContact CE1-CG1 3.92Å; F5-I13 HydrophobicContact CE2-CD1 4.14Å; F5-I13 HydrophobicContact CE2-CG1 4.19Å; F5-I13 HydrophobicContact CZ-CD1 3.54Å; F5-I13 HydrophobicContact CZ-CG1 3.9Å; F5-I13 PolarHBondContact N-O 3.28Å; F5-I13 PolarHBondContact O-N 3.14Å; F5-P152 HydrophobicContact CD2-CB 4.36Å; F5-P152 HydrophobicContact CD2-CG 4.48Å; F5-P152 HydrophobicContact CE2-CB 3.81Å; F5-P152 HydrophobicContact CE2-CG 4.4Å; F5-N178 HydrophobicContact CB-CB 4.47Å; F5-N178 HydrophobicContact CD2-CB 3.75Å; F5-N178 HydrophobicContact CE2-CB 4.09Å; F5-N178 HydrophobicContact CG-CB 4.05Å; F5-P211 HydrophobicContact CD1-CG 4.22Å; F5-P211 HydrophobicContact CE1-CG 3.84Å
6E96.8Very high90Very high108 Ų10862.8 Ų62.851%0.50534%0.343SS..EExtended strand (participates in β ladder)trans-74.9111.5172.7-68.1-162.8171.800110.6G10 P152E6-G10 PolarHBondContact OE2-N 3.41Å; E6-P152 WeakPolarHBondContact O-CG 3.41Å
7L97.9Very high90.4Very high1 Ų162.1 Ų62.11%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-75.1-37.9173.5-179.363.3000110.9F5 R11 I13 F20 F129 P152 V154 V234F5-L7 HydrophobicContact CE2-CB 4.23Å; F5-L7 HydrophobicContact CE2-CD1 4.06Å; F5-L7 PolarHBondContact O-N 3.44Å; L7-R11 PolarHBondContact N-O 2.84Å; L7-R11 VanDerWaalsContact N-O 3.14Å; L7-I13 HydrophobicContact CB-CD1 4.33Å; L7-I13 HydrophobicContact CB-CG1 4.26Å; L7-I13 HydrophobicContact CB-CG2 3.93Å; L7-I13 HydrophobicContact CD2-CD1 4.39Å; L7-I13 HydrophobicContact CD2-CG2 4.2Å; L7-F20 HydrophobicContact CD2-CB 4.44Å; L7-F20 HydrophobicContact CD2-CD1 3.72Å; L7-F20 HydrophobicContact CD2-CD2 4.17Å; L7-F20 HydrophobicContact CD2-CE1 3.89Å; L7-F20 HydrophobicContact CD2-CE2 4.3Å; L7-F20 HydrophobicContact CD2-CG 3.87Å; L7-F20 HydrophobicContact CD2-CZ 4.18Å; L7-F129 HydrophobicContact CD1-CB 3.69Å; L7-F129 HydrophobicContact CD1-CD1 3.86Å; L7-F129 HydrophobicContact CD1-CD2 4.16Å; L7-F129 HydrophobicContact CD1-CE1 4.49Å; L7-F129 HydrophobicContact CD1-CG 3.65Å; L7-F129 HydrophobicContact CD2-CD1 4.35Å; L7-F129 HydrophobicContact CD2-CE1 4.22Å; L7-F129 HydrophobicContact CD2-CZ 4.46Å; L7-F129 HydrophobicContact CG-CB 4.46Å; L7-F129 HydrophobicContact CG-CD1 3.76Å; L7-F129 HydrophobicContact CG-CE1 4.1Å; L7-F129 HydrophobicContact CG-CG 4.11Å; L7-P152 HydrophobicContact CD1-CB 3.99Å; L7-V154 HydrophobicContact CD1-CG2 3.61Å; L7-V154 HydrophobicContact CD2-CG2 4.16Å; L7-V234 HydrophobicContact CD2-CG2 4.45Å
8C98Very high90.7Very high3 Ų361.8 Ų61.82%0.0234%0.339CS..EExtended strand (participates in β ladder)trans-129.7159168.1-58.10000108.7G10 R11 F108 P128C8-G10 PolarHBondContact O-N 3.07Å; C8-G10 VanDerWaalsContact O-N 3.15Å; C8-R11 HydrophobicContact CB-CB 4.21Å; C8-R11 PolarHBondContact O-N 3.15Å; C8-F108 HydrophobicContact CB-CD1 3.72Å; C8-F108 HydrophobicContact CB-CD2 3.71Å; C8-F108 HydrophobicContact CB-CE1 3.56Å; C8-F108 HydrophobicContact CB-CE2 3.55Å; C8-F108 HydrophobicContact CB-CG 3.8Å; C8-F108 HydrophobicContact CB-CZ 3.48Å; C8-F108 VanDerWaalsContact CB-CZ 3.48Å; C8-P128 HydrophobicContact CB-CB 4.03Å
9P96.9Very high91.1Very high97 Ų9758.6 Ų58.663%0.6332%0.321SS*.THydrogen-bonded Turntrans-50.9120.9178.7-28.435.6000112.5R11P9-R11 PolarHBondContact O-N 3.15Å
10G96.9Very high91.5Very high61 Ų6155.7 Ų55.763%0.62931%0.305SS*.THydrogen-bonded Turntrans71.110.6-178.900000115.2E6 C8E6-G10 PolarHBondContact OE2-N 3.41Å; C8-G10 PolarHBondContact O-N 3.07Å; C8-G10 VanDerWaalsContact O-N 3.15Å
11R97.8Very high91.9Very high33 Ų3353 Ų5313%0.12529%0.291CS..EExtended strand (participates in β ladder)trans-125.585.1178.6-167.762.7-178.891.83.3111.7L7 C8 P9 P18 C19 F20 D49 F108L7-R11 PolarHBondContact N-O 2.84Å; L7-R11 VanDerWaalsContact N-O 3.14Å; C8-R11 HydrophobicContact CB-CB 4.21Å; C8-R11 PolarHBondContact O-N 3.15Å; P9-R11 PolarHBondContact O-N 3.15Å; R11-P18 PolarHBondContact NH1-O 3.23Å; R11-P18 PolarHBondContact NH2-O 2.8Å; R11-C19 PolarHBondContact NH2-O 2.86Å; R11-C19 VanDerWaalsContact NH2-O 3.16Å; R11-F20 HydrophobicContact CB-CE2 4.31Å; R11-F20 HydrophobicContact CG-CD2 3.54Å; R11-F20 HydrophobicContact CG-CE2 3.56Å; R11-D49 IonicContact CZ-OD1 3.73Å; R11-D49 IonicContact NE-OD1 2.8Å; R11-D49 PolarHBondContact NE-OD1 3.02Å; R11-D49 IonicContact NH2-OD1 2.81Å; R11-D49 PolarHBondContact NH2-OD1 3.15Å; R11-D49 IonicContact NH2-OD2 3.93Å; R11-F108 HydrophobicContact CB-CE2 3.95Å; R11-F108 HydrophobicContact CB-CZ 4.38Å; R11-F108 HydrophobicContact CG-CE2 4.39Å
12P97.4Very high93.9Very high31 Ų3142.7 Ų42.720%0.20124%0.24CC..EExtended strand (participates in β ladder)trans-72.5152.6177.930.7-36.6000113F5 H17F5-P12 CarbonylContact O-C 3.57Å; F5-P12 VanDerWaalsContact O-CA 3.27Å; F5-P12 WeakPolarHBondContact O-CA 3.47Å; P12-H17 HydrophobicContact CG-CB 4.41Å; P12-H17 WeakPolarHBondContact CG-ND1 3.43Å
13I97.5Very high95.6Very high1 Ų140.3 Ų40.31%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-124.7163.4168.867.5164.4000110.6E4 F5 L7 F20 T180 P211 V234E4-I13 WeakPolarHBondContact CA-O 3.33Å; F5-I13 HydrophobicContact CD1-CG1 4.24Å; F5-I13 HydrophobicContact CE1-CD1 3.82Å; F5-I13 HydrophobicContact CE1-CG1 3.92Å; F5-I13 HydrophobicContact CE2-CD1 4.14Å; F5-I13 HydrophobicContact CE2-CG1 4.19Å; F5-I13 HydrophobicContact CZ-CD1 3.54Å; F5-I13 HydrophobicContact CZ-CG1 3.9Å; F5-I13 PolarHBondContact N-O 3.28Å; F5-I13 PolarHBondContact O-N 3.14Å; L7-I13 HydrophobicContact CB-CD1 4.33Å; L7-I13 HydrophobicContact CB-CG1 4.26Å; L7-I13 HydrophobicContact CB-CG2 3.93Å; L7-I13 HydrophobicContact CD2-CD1 4.39Å; L7-I13 HydrophobicContact CD2-CG2 4.2Å; I13-F20 HydrophobicContact CG2-CB 3.68Å; I13-F20 HydrophobicContact CG2-CD2 4.34Å; I13-F20 HydrophobicContact CG2-CG 4.3Å; I13-T180 HydrophobicContact CD1-CG2 4.18Å; I13-P211 HydrophobicContact CD1-CB 4.14Å; I13-P211 HydrophobicContact CD1-CG 4.13Å; I13-P211 HydrophobicContact CG1-CG 4.15Å; I13-V234 HydrophobicContact CD1-CG2 3.71Å; I13-V234 HydrophobicContact CG2-CG2 4.37Å
14G94.6Very high96.7Very high1 Ų137.6 Ų37.61%0.0121%0.21CC..SBendtrans95.5177.5-175.500000113K16 H17G14-K16 PolarHBondContact O-N 2.86Å; G14-H17 WeakPolarHBondContact O-CB 3.49Å; G14-H17 PolarHBondContact O-CD2 2.65Å; G14-H17 PolarHBondContact O-N 3.43Å
15G90.3Very high97Very high22 Ų2232.9 Ų32.923%0.22719%0.188CC..THydrogen-bonded Turntrans47.2-126.7174.500000115E4 K233E4-G15 WeakPolarHBondContact OE1-CA 3.41Å; G15-K233 VanDerWaalsContact O-CE 3.28Å; G15-K233 WeakPolarHBondContact O-CE 3.2Å; G15-K233 PolarHBondContact O-NZ 3.04Å
16K91.4Very high97Very high207 Ų20732.3 Ų32.390%0.919%0.185SC*.THydrogen-bonded Turntrans-92.22.5177.8-65.6-175.8-178.9178.60113.9G14G14-K16 PolarHBondContact O-N 2.86Å
17H96.4Very high97Very high52 Ų5228 Ų2824%0.24117%0.165CC..SBendtrans-68.4146.2-179.3-62.8-65.1000111.1E4 P12 G14 C19E4-H17 IonicContact OE2-CD2 3.96Å; E4-H17 PolarHBondContact OE2-CD2 2.98Å; E4-H17 IonicContact OE2-CE1 3.59Å; E4-H17 IonicContact OE2-NE2 3.39Å; E4-H17 PolarHBondContact OE2-NE2 2.89Å; P12-H17 HydrophobicContact CG-CB 4.41Å; P12-H17 WeakPolarHBondContact CG-ND1 3.43Å; G14-H17 WeakPolarHBondContact O-CB 3.49Å; G14-H17 PolarHBondContact O-CD2 2.65Å; G14-H17 PolarHBondContact O-N 3.43Å; H17-C19 PolarHBondContact O-N 2.98Å
18P97.2Very high97Very high57 Ų5728.1 Ų28.137%0.3717%0.166SC..PPolyproline II helixtrans-59.6139.3174.7-2131.6000111R11 F20 E270R11-P18 PolarHBondContact NH1-O 3.23Å; R11-P18 PolarHBondContact NH2-O 2.8Å; P18-F20 PolarHBondContact O-N 3.13Å; P18-E270 WeakPolarHBondContact CA-OE1 3.31Å
19C98.4Very high97Very high0 Ų028.1 Ų28.10%017%0.165CC..PPolyproline II helixtrans-52.1132173.5-1760000110.1R11 H17 V228 K233 V266 R267 E270R11-C19 PolarHBondContact NH2-O 2.86Å; R11-C19 VanDerWaalsContact NH2-O 3.16Å; H17-C19 PolarHBondContact O-N 2.98Å; C19-V228 HydrophobicContact CB-CG2 4.4Å; C19-K233 WeakPolarHBondContact CA-O 3.28Å; C19-V266 HydrophobicContact CB-CG1 4.06Å; C19-R267 PolarHBondContact O-NH1 3.49Å; C19-R267 PolarHBondContact O-NH2 3.2Å; C19-E270 WeakPolarHBondContact CB-OE1 3.48Å; C19-E270 PolarHBondContact N-OE1 3.11Å
20F98.9Very high97Very high0 Ų025.1 Ų25.10%014%0.143CC..EExtended strand (participates in β ladder)trans-85.4127.7177.6-168.4-84.9000109.8L7 R11 I13 P18 I22 D49 C50 F108 F129 K233 V234 I235L7-F20 HydrophobicContact CD2-CB 4.44Å; L7-F20 HydrophobicContact CD2-CD1 3.72Å; L7-F20 HydrophobicContact CD2-CD2 4.17Å; L7-F20 HydrophobicContact CD2-CE1 3.89Å; L7-F20 HydrophobicContact CD2-CE2 4.3Å; L7-F20 HydrophobicContact CD2-CG 3.87Å; L7-F20 HydrophobicContact CD2-CZ 4.18Å; R11-F20 HydrophobicContact CB-CE2 4.31Å; R11-F20 HydrophobicContact CG-CD2 3.54Å; R11-F20 HydrophobicContact CG-CE2 3.56Å; I13-F20 HydrophobicContact CG2-CB 3.68Å; I13-F20 HydrophobicContact CG2-CD2 4.34Å; I13-F20 HydrophobicContact CG2-CG 4.3Å; P18-F20 PolarHBondContact O-N 3.13Å; F20-I22 HydrophobicContact CD1-CD1 4.43Å; F20-I22 HydrophobicContact CD1-CG1 3.76Å; F20-I22 HydrophobicContact CE1-CD1 4.47Å; F20-I22 HydrophobicContact CE1-CG1 3.73Å; F20-D49 WeakPolarHBondContact CA-OD2 3.29Å; F20-D49 HydrophobicContact CD1-CB 4.12Å; F20-D49 HydrophobicContact CD2-CB 3.74Å; F20-D49 HydrophobicContact CE1-CB 3.95Å; F20-D49 HydrophobicContact CE2-CB 3.57Å; F20-D49 HydrophobicContact CG-CB 4.03Å; F20-D49 HydrophobicContact CZ-CB 3.67Å; F20-C50 HydrophobicContact CE1-CB 3.56Å; F20-C50 HydrophobicContact CZ-CB 3.73Å; F20-F108 HydrophobicContact CE2-CD2 4.28Å; F20-F108 HydrophobicContact CZ-CD2 4.29Å; F20-F129 HydrophobicContact CE1-CE1 4.21Å; F20-F129 HydrophobicContact CE1-CZ 4.37Å; F20-F129 HydrophobicContact CZ-CE1 4.25Å; F20-K233 PolarHBondContact N-O 2.78Å; F20-V234 HydrophobicContact CB-CG2 4.3Å; F20-V234 CarbonylContact O-C 3.54Å; F20-V234 VanDerWaalsContact O-CA 3.29Å; F20-V234 WeakPolarHBondContact O-CA 3.43Å; F20-I235 PolarHBondContact O-N 3.05Å
21I98.9Very high97Very high1 Ų123.4 Ų23.41%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-110.4115.8-174.5-58.7173.8000109.5A48 D49 C50 I235 V263 V266I21-A48 HydrophobicContact CG2-CB 4.42Å; I21-D49 PolarHBondContact N-OD2 3.35Å; I21-D49 PolarHBondContact O-N 2.65Å; I21-C50 PolarHBondContact O-N 2.9Å; I21-I235 WeakPolarHBondContact CA-O 3.37Å; I21-V263 HydrophobicContact CD1-CB 4.24Å; I21-V263 HydrophobicContact CD1-CG1 4.37Å; I21-V263 HydrophobicContact CD1-CG2 3.78Å; I21-V263 HydrophobicContact CG2-CG2 4.41Å; I21-V266 HydrophobicContact CD1-CB 4.3Å; I21-V266 HydrophobicContact CD1-CG1 4.2Å; I21-V266 HydrophobicContact CD1-CG2 4.49Å
22I98.9Very high97.1Very high1 Ų125.2 Ų25.21%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-97116.3176.4-57.8172.4000108.6F20 E24 C50 K52 F129 V154 V234 I235 E236 R237F20-I22 HydrophobicContact CD1-CD1 4.43Å; F20-I22 HydrophobicContact CD1-CG1 3.76Å; F20-I22 HydrophobicContact CE1-CD1 4.47Å; F20-I22 HydrophobicContact CE1-CG1 3.73Å; I22-E24 PolarHBondContact O-N 2.67Å; I22-C50 HydrophobicContact CG1-CB 4.46Å; I22-K52 HydrophobicContact CG2-CB 3.57Å; I22-K52 HydrophobicContact CG2-CD 3.97Å; I22-K52 HydrophobicContact CG2-CG 4.39Å; I22-F129 HydrophobicContact CD1-CE2 4.23Å; I22-F129 HydrophobicContact CD1-CZ 3.98Å; I22-F129 HydrophobicContact CG1-CZ 4.45Å; I22-V154 HydrophobicContact CD1-CG1 4.4Å; I22-V234 HydrophobicContact CD1-CG1 3.73Å; I22-V234 HydrophobicContact CG1-CG1 4.26Å; I22-I235 PolarHBondContact N-O 2.78Å; I22-E236 HydrophobicContact CB-CB 4.13Å; I22-E236 HydrophobicContact CB-CG 4.22Å; I22-E236 HydrophobicContact CG2-CG 4.12Å; I22-R237 PolarHBondContact O-N 2.93Å; I22-R237 VanDerWaalsContact O-N 3.12Å
23A98.9Very high97.1Very high0 Ų025.2 Ų25.20%014%0.136CC..EExtended strand (participates in β ladder)trans-86.4100.7168.300000109.1I25 A43 A48 C50 K52 I239 L259A23-I25 PolarHBondContact O-N 2.8Å; A23-A43 HydrophobicContact CB-CB 3.65Å; A23-A48 HydrophobicContact CB-CB 3.9Å; A23-C50 PolarHBondContact N-O 3.43Å; A23-K52 PolarHBondContact O-N 3.4Å; A23-I239 HydrophobicContact CB-CD1 3.79Å; A23-I239 HydrophobicContact CB-CG1 4.13Å; A23-I239 HydrophobicContact CB-CG2 3.96Å; A23-L259 HydrophobicContact CB-CD2 4.36Å
24E98.8Very high97.2Very high3 Ų332.1 Ų32.11%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-78.3102.8178.4169.567.8162.700109.9I22 G26 K52 Q54 E236 R237 H238 I239I22-E24 PolarHBondContact O-N 2.67Å; E24-G26 VanDerWaalsContact C-N 3.34Å; E24-G26 WeakPolarHBondContact OE1-CA 3.32Å; E24-K52 IonicContact OE1-NZ 3.47Å; E24-K52 PolarHBondContact OE1-NZ 2.85Å; E24-K52 VanDerWaalsContact OE1-NZ 3.15Å; E24-K52 WeakPolarHBondContact OE2-CB 3.42Å; E24-K52 WeakPolarHBondContact OE2-CE 3.33Å; E24-K52 VanDerWaalsContact OE2-CG 3.24Å; E24-K52 WeakPolarHBondContact OE2-CG 3.17Å; E24-K52 IonicContact OE2-NZ 3.52Å; E24-K52 PolarHBondContact OE2-NZ 3.3Å; E24-Q54 WeakPolarHBondContact OE1-CG 3.48Å; E24-Q54 PolarHBondContact OE1-NE2 2.8Å; E24-E236 HydrophobicContact CB-CG 4.2Å; E24-R237 PolarHBondContact N-O 2.79Å; E24-H238 CarbonylContact O-C 3.51Å; E24-H238 VanDerWaalsContact O-CA 3.23Å; E24-H238 WeakPolarHBondContact O-CA 3.16Å; E24-I239 WeakPolarHBondContact O-CG1 3.44Å; E24-I239 PolarHBondContact O-N 2.74Å
25I98.7Very high97.4Very high0 Ų033.5 Ų33.50%017%0.172CC..EExtended strand (participates in β ladder)trans-73.6-34.9170.2-63.8172.8000109.2A23 Q27 N28 H29 M39 I40 A51 K52 F53 I239A23-I25 PolarHBondContact O-N 2.8Å; I25-Q27 PolarHBondContact O-N 3.39Å; I25-Q27 VanDerWaalsContact O-N 3.11Å; I25-N28 WeakPolarHBondContact O-CB 2.93Å; I25-N28 PolarHBondContact O-N 3.4Å; I25-H29 HydrophobicContact CG2-CB 4.34Å; I25-M39 HydrophobicContact CB-CE 4.36Å; I25-M39 HydrophobicContact CD1-CB 3.77Å; I25-M39 HydrophobicContact CG1-CB 4.02Å; I25-M39 HydrophobicContact CG1-CE 4.26Å; I25-M39 HydrophobicContact CG2-CB 4.33Å; I25-M39 HydrophobicContact CG2-CE 3.86Å; I25-M39 HydrophobicContact CG2-SD 3.84Å; I25-I40 HydrophobicContact CD1-CG1 3.78Å; I25-A51 HydrophobicContact CD1-CB 4.03Å; I25-K52 WeakPolarHBondContact CA-O 3.26Å; I25-K52 WeakPolarHBondContact CB-O 3.23Å; I25-K52 PolarHBondContact N-O 3.31Å; I25-F53 HydrophobicContact CB-CD1 4.27Å; I25-F53 HydrophobicContact CB-CE1 4.04Å; I25-F53 HydrophobicContact CB-CE2 4.48Å; I25-F53 HydrophobicContact CB-CZ 4.15Å; I25-F53 HydrophobicContact CD1-CE1 4.14Å; I25-F53 HydrophobicContact CD1-CE2 3.64Å; I25-F53 HydrophobicContact CD1-CZ 3.41Å; I25-F53 VanDerWaalsContact CD1-CZ 3.41Å; I25-F53 HydrophobicContact CG1-CZ 4.35Å; I25-F53 HydrophobicContact CG2-CD1 4.03Å; I25-F53 HydrophobicContact CG2-CE1 3.56Å; I25-F53 HydrophobicContact CG2-CZ 3.98Å; I25-I239 HydrophobicContact CD1-CD1 4.48Å; I25-I239 HydrophobicContact CG1-CD1 3.68Å; I25-I239 HydrophobicContact CG1-CG1 3.95Å
26G96.6Very high97.8Very high0 Ų032.4 Ų32.40%016%0.162CC..EExtended strand (participates in β ladder)trans55.2-118.4178.500000111.2E24 H29 K52E24-G26 VanDerWaalsContact C-N 3.34Å; E24-G26 WeakPolarHBondContact OE1-CA 3.32Å; G26-H29 PolarHBondContact O-CD2 3.31Å; G26-H29 VanDerWaalsContact O-CD2 3.23Å; G26-H29 PolarHBondContact O-NE2 2.85Å; G26-K52 PolarHBondContact N-O 3.15Å
27Q96.3Very high98.1Very high18 Ų1825 Ų258%0.08413%0.129CC..THydrogen-bonded Turntrans-113.112.7174.2-56.5-166.2-60.600113.7I25 H29 Q30 L88I25-Q27 PolarHBondContact O-N 3.39Å; I25-Q27 VanDerWaalsContact O-N 3.11Å; Q27-H29 PolarHBondContact O-N 3.46Å; Q27-H29 VanDerWaalsContact O-N 3.08Å; Q27-Q30 PolarHBondContact O-N 3.29Å; Q27-L88 HydrophobicContact CB-CB 4.39Å; Q27-L88 HydrophobicContact CB-CD1 4.13Å; Q27-L88 HydrophobicContact CG-CB 4.47Å
28N98.1Very high98.2Very high3 Ų326.6 Ų26.62%0.01614%0.137CC..THydrogen-bonded Turntrans-66.5-9.5179.9-75.6-15.2000113.6I25 Q30 M39 I239 H250 S253I25-N28 WeakPolarHBondContact O-CB 2.93Å; I25-N28 PolarHBondContact O-N 3.4Å; N28-Q30 PolarHBondContact O-N 3.01Å; N28-M39 HydrophobicContact CB-CE 3.81Å; N28-M39 HydrophobicContact CB-SD 4.31Å; N28-I239 PolarHBondContact ND2-O 2.88Å; N28-H250 PolarHBondContact O-CE1 3.15Å; N28-H250 VanDerWaalsContact O-CE1 3.32Å; N28-S253 PolarHBondContact ND2-OG 3.21Å
29H98.1Very high98.3Very high2 Ų223.9 Ų23.91%0.00912%0.119CC..THydrogen-bonded Turntrans-71.6-7.6169.560.678.8000113.6I25 G26 Q27 G31 D32 I35 A36 F53 L88 F90I25-H29 HydrophobicContact CG2-CB 4.34Å; G26-H29 PolarHBondContact O-CD2 3.31Å; G26-H29 VanDerWaalsContact O-CD2 3.23Å; G26-H29 PolarHBondContact O-NE2 2.85Å; Q27-H29 PolarHBondContact O-N 3.46Å; Q27-H29 VanDerWaalsContact O-N 3.08Å; H29-G31 PolarHBondContact ND1-N 2.8Å; H29-G31 PolarHBondContact O-N 3.35Å; H29-G31 VanDerWaalsContact O-N 3.11Å; H29-D32 WeakPolarHBondContact O-CB 3.39Å; H29-D32 PolarHBondContact O-N 2.86Å; H29-I35 HydrophobicContact CB-CG2 4.47Å; H29-A36 HydrophobicContact CB-CB 3.77Å; H29-F53 AromaticContact CD2-CD1 3.84Å; H29-F53 AromaticContact CD2-CE1 3.86Å; H29-L88 PolarHBondContact CE1-O 2.85Å; H29-L88 VanDerWaalsContact CE1-O 3.26Å; H29-F90 HydrophobicContact CB-CE2 4.4Å; H29-F90 HydrophobicContact CB-CZ 4.31Å; H29-F90 AromaticContact CD2-CE2 3.74Å; H29-F90 AromaticContact CE1-CD2 3.63Å; H29-F90 AromaticContact CE1-CE2 3.15Å; H29-F90 WeakPolarHBondContact CE1-CE2 3.45Å; H29-F90 AromaticContact CE1-CZ 3.47Å; H29-F90 VanDerWaalsContact CE1-CZ 3.47Å; H29-F90 WeakPolarHBondContact CE1-CZ 3.42Å; H29-F90 AromaticContact CG-CE2 3.56Å; H29-F90 AromaticContact CG-CZ 3.72Å; H29-F90 AromaticContact ND1-CE1 3.96Å; H29-F90 AromaticContact ND1-CE2 3.19Å; H29-F90 WeakPolarHBondContact ND1-CE2 3.35Å; H29-F90 AromaticContact ND1-CZ 3.1Å; H29-F90 WeakPolarHBondContact ND1-CZ 3.46Å; H29-F90 AromaticContact NE2-CD2 3.91Å; H29-F90 AromaticContact NE2-CE2 3.5Å
30Q97.3Very high98.4Very high34 Ų3423.9 Ų23.916%0.15912%0.119CC..THydrogen-bonded Turntrans57.527.6174.7-60.8173.360.700114.7Q27 N28 D32 W77 H87Q27-Q30 PolarHBondContact O-N 3.29Å; N28-Q30 PolarHBondContact O-N 3.01Å; Q30-D32 PolarHBondContact O-N 2.97Å; Q30-W77 HydrophobicContact CB-CZ2 4.07Å; Q30-W77 HydrophobicContact CG-CZ2 4.21Å; Q30-H87 PolarHBondContact O-NE2 2.87Å
31G97.5Very high98.4Very high25 Ų2528.1 Ų28.126%0.25814%0.138SC..THydrogen-bonded Turntrans74.76.5-173.900000115H29 H87 F90H29-G31 PolarHBondContact ND1-N 2.8Å; H29-G31 PolarHBondContact O-N 3.35Å; H29-G31 VanDerWaalsContact O-N 3.11Å; G31-H87 WeakPolarHBondContact CA-O 3.32Å; G31-F90 WeakPolarHBondContact O-CE1 3.47Å
32D98.4Very high98.3Very high71 Ų7128.8 Ų28.838%0.3814%0.141SC..  trans-100.7121.5179.8-172.2-56.4000111.6H29 Q30 K34 I35 A36H29-D32 WeakPolarHBondContact O-CB 3.39Å; H29-D32 PolarHBondContact O-N 2.86Å; Q30-D32 PolarHBondContact O-N 2.97Å; D32-K34 WeakPolarHBondContact OD1-CA 3.33Å; D32-K34 VanDerWaalsContact OD1-CB 3.23Å; D32-K34 WeakPolarHBondContact OD1-CB 3.38Å; D32-K34 PolarHBondContact OD1-N 2.82Å; D32-I35 HydrophobicContact CB-CB 4.09Å; D32-I35 HydrophobicContact CB-CD1 3.84Å; D32-I35 HydrophobicContact CB-CG1 3.88Å; D32-I35 PolarHBondContact O-N 3.23Å; D32-I35 PolarHBondContact OD1-N 3.32Å; D32-A36 PolarHBondContact O-N 3.42Å
33L98.5Very high98.3Very high32 Ų3228.8 Ų28.817%0.16814%0.141CC..Hα-helixtrans-69.7-31.8-177-164.469.2000113.1A36 K37 F90 Q94 E97 L98L33-A36 PolarHBondContact O-N 3.46Å; L33-K37 WeakPolarHBondContact O-CG 3.17Å; L33-K37 PolarHBondContact O-N 3.28Å; L33-F90 HydrophobicContact CB-CE1 4.48Å; L33-F90 HydrophobicContact CD1-CE1 4.26Å; L33-F90 HydrophobicContact CD1-CZ 4.33Å; L33-Q94 HydrophobicContact CD1-CB 3.98Å; L33-Q94 HydrophobicContact CD1-CG 4.21Å; L33-Q94 HydrophobicContact CD2-CG 4.43Å; L33-E97 VanDerWaalsContact CD2-CD 3.5Å; L33-E97 WeakPolarHBondContact CD2-OE1 3.42Å; L33-E97 WeakPolarHBondContact CD2-OE2 3.3Å; L33-L98 HydrophobicContact CD1-CD1 3.94Å; L33-L98 HydrophobicContact CD1-CD2 3.75Å; L33-L98 HydrophobicContact CD1-CG 3.68Å; L33-L98 HydrophobicContact CG-CD2 4.49Å
34K98.6Very high98.3Very high145 Ų14533 Ų3363%0.6316%0.159SC*.Hα-helixtrans-69-45.3177-177.7-175.5172.2-168.70109.8D32 A36 K37 E38D32-K34 WeakPolarHBondContact OD1-CA 3.33Å; D32-K34 VanDerWaalsContact OD1-CB 3.23Å; D32-K34 WeakPolarHBondContact OD1-CB 3.38Å; D32-K34 PolarHBondContact OD1-N 2.82Å; K34-A36 VanDerWaalsContact C-N 3.31Å; K34-A36 PolarHBondContact O-N 2.82Å; K34-K37 PolarHBondContact O-N 3.11Å; K34-E38 WeakPolarHBondContact CE-OE1 3.39Å; K34-E38 WeakPolarHBondContact O-CG 3.31Å; K34-E38 PolarHBondContact O-N 2.85Å
35I98.6Very high98.3Very high30 Ų3038 Ų3815%0.15419%0.186CC..Hα-helixtrans-59.7-44.8174.4-61.5-178.9000110.1H29 D32 K37 E38 M39 L241 W245H29-I35 HydrophobicContact CB-CG2 4.47Å; D32-I35 HydrophobicContact CB-CB 4.09Å; D32-I35 HydrophobicContact CB-CD1 3.84Å; D32-I35 HydrophobicContact CB-CG1 3.88Å; D32-I35 PolarHBondContact O-N 3.23Å; D32-I35 PolarHBondContact OD1-N 3.32Å; I35-K37 VanDerWaalsContact C-N 3.33Å; I35-K37 PolarHBondContact O-N 3.45Å; I35-E38 PolarHBondContact O-N 2.98Å; I35-M39 HydrophobicContact CG2-CG 4.29Å; I35-M39 HydrophobicContact CG2-SD 3.98Å; I35-M39 VanDerWaalsContact O-CG 3.29Å; I35-M39 WeakPolarHBondContact O-CG 3.22Å; I35-M39 PolarHBondContact O-N 3.23Å; I35-L241 HydrophobicContact CG2-CD1 4.33Å; I35-W245 HydrophobicContact CD1-CH2 4.45Å; I35-W245 HydrophobicContact CD1-CZ3 4.28Å; I35-W245 HydrophobicContact CG2-CH2 4.4Å; I35-W245 HydrophobicContact CG2-CZ3 3.83Å
36A98.8Very high98.4Very high0 Ų038.9 Ų38.90%019%0.192CC..Hα-helixtrans-56.4-44.5176.500000112.7H29 D32 L33 K34 M39 I40 F53 F90 L98H29-A36 HydrophobicContact CB-CB 3.77Å; D32-A36 PolarHBondContact O-N 3.42Å; L33-A36 PolarHBondContact O-N 3.46Å; K34-A36 VanDerWaalsContact C-N 3.31Å; K34-A36 PolarHBondContact O-N 2.82Å; A36-M39 PolarHBondContact O-N 2.88Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 2.86Å; A36-F53 HydrophobicContact CB-CE1 3.89Å; A36-F53 HydrophobicContact CB-CZ 4.14Å; A36-F90 HydrophobicContact CB-CE2 3.89Å; A36-F90 HydrophobicContact CB-CZ 3.92Å; A36-L98 HydrophobicContact CB-CD1 4.21Å; A36-L98 HydrophobicContact CB-CD2 3.67Å
37K98.9Very high98.4Very high52 Ų5240.6 Ų40.623%0.22621%0.21CC..Hα-helixtrans-64.9-43175.5-72-178-177.2-179.90112.4L33 K34 I35 M39 I40 K41 E97 L98 Y101L33-K37 WeakPolarHBondContact O-CG 3.17Å; L33-K37 PolarHBondContact O-N 3.28Å; K34-K37 PolarHBondContact O-N 3.11Å; I35-K37 VanDerWaalsContact C-N 3.33Å; I35-K37 PolarHBondContact O-N 3.45Å; K37-M39 VanDerWaalsContact C-N 3.27Å; K37-M39 PolarHBondContact O-N 3.47Å; K37-I40 PolarHBondContact O-N 2.81Å; K37-K41 PolarHBondContact O-N 3.33Å; K37-E97 VanDerWaalsContact CE-OE1 3.29Å; K37-E97 WeakPolarHBondContact CE-OE1 3.45Å; K37-E97 IonicContact NZ-OE1 2.82Å; K37-E97 PolarHBondContact NZ-OE1 3.49Å; K37-L98 HydrophobicContact CG-CD2 3.88Å; K37-Y101 HydrophobicContact CB-CD1 3.81Å; K37-Y101 HydrophobicContact CB-CE1 3.63Å; K37-Y101 HydrophobicContact CB-CG 4.4Å; K37-Y101 HydrophobicContact CD-CD1 4.27Å; K37-Y101 HydrophobicContact CD-CD2 4.15Å; K37-Y101 HydrophobicContact CD-CE2 4.46Å; K37-Y101 HydrophobicContact CD-CG 4.03Å; K37-Y101 HydrophobicContact CG-CD1 3.67Å; K37-Y101 HydrophobicContact CG-CD2 4.44Å; K37-Y101 HydrophobicContact CG-CE1 4.03Å; K37-Y101 HydrophobicContact CG-CG 3.89Å; K37-Y101 VanDerWaalsContact O-CE1 3.25Å; K37-Y101 WeakPolarHBondContact O-CE1 3.43Å
38E98.8Very high98.6Very high84 Ų8440 Ų4039%0.39321%0.208SC..Hα-helixtrans-58.3-41.5175-72.9175.9-169.100111.4K34 I35 K41 M42 L241K34-E38 WeakPolarHBondContact CE-OE1 3.39Å; K34-E38 WeakPolarHBondContact O-CG 3.31Å; K34-E38 PolarHBondContact O-N 2.85Å; I35-E38 PolarHBondContact O-N 2.98Å; E38-K41 PolarHBondContact O-N 2.58Å; E38-M42 VanDerWaalsContact O-CB 3.32Å; E38-M42 WeakPolarHBondContact O-CB 3.41Å; E38-M42 PolarHBondContact O-N 3.27Å; E38-L241 HydrophobicContact CB-CD1 4.11Å
39M98.9Very high98.6Very high0 Ų041.2 Ų41.20%021%0.214CC..Hα-helixtrans-68.2-38.4176.8-67.6-177.875.500113.1I25 N28 I35 A36 K37 M42 A43 I239 L241I25-M39 HydrophobicContact CB-CE 4.36Å; I25-M39 HydrophobicContact CD1-CB 3.77Å; I25-M39 HydrophobicContact CG1-CB 4.02Å; I25-M39 HydrophobicContact CG1-CE 4.26Å; I25-M39 HydrophobicContact CG2-CB 4.33Å; I25-M39 HydrophobicContact CG2-CE 3.86Å; I25-M39 HydrophobicContact CG2-SD 3.84Å; N28-M39 HydrophobicContact CB-CE 3.81Å; N28-M39 HydrophobicContact CB-SD 4.31Å; I35-M39 HydrophobicContact CG2-CG 4.29Å; I35-M39 HydrophobicContact CG2-SD 3.98Å; I35-M39 VanDerWaalsContact O-CG 3.29Å; I35-M39 WeakPolarHBondContact O-CG 3.22Å; I35-M39 PolarHBondContact O-N 3.23Å; A36-M39 PolarHBondContact O-N 2.88Å; K37-M39 VanDerWaalsContact C-N 3.27Å; K37-M39 PolarHBondContact O-N 3.47Å; M39-M42 PolarHBondContact O-N 3.45Å; M39-A43 WeakPolarHBondContact O-CB 3.36Å; M39-A43 PolarHBondContact O-N 2.79Å; M39-I239 HydrophobicContact CE-CD1 4.34Å; M39-I239 HydrophobicContact CE-CG1 4.13Å; M39-I239 WeakPolarHBondContact CE-O 3.34Å; M39-L241 HydrophobicContact CG-CD1 4Å; M39-L241 HydrophobicContact CG-CD2 4.39Å; M39-L241 HydrophobicContact CG-CG 3.87Å
40I98.9Very high98.6Very high0 Ų041.1 Ų41.10%021%0.214CC..Hα-helixtrans-59.3-48.8172.7-72.2168.3000110.2I25 A36 K37 M42 A43 K44 A51 F53 L98 Y101 A102 V105 I107 F109I25-I40 HydrophobicContact CD1-CG1 3.78Å; A36-I40 WeakPolarHBondContact O-CG1 3.49Å; A36-I40 PolarHBondContact O-N 2.86Å; K37-I40 PolarHBondContact O-N 2.81Å; I40-M42 VanDerWaalsContact C-N 3.34Å; I40-M42 PolarHBondContact O-N 3.14Å; I40-A43 PolarHBondContact O-N 3.33Å; I40-K44 PolarHBondContact O-N 3.18Å; I40-K44 VanDerWaalsContact O-N 3.13Å; I40-A51 HydrophobicContact CG1-CB 4.06Å; I40-F53 HydrophobicContact CD1-CE2 3.87Å; I40-F53 HydrophobicContact CD1-CZ 3.82Å; I40-F53 HydrophobicContact CG1-CE2 3.89Å; I40-F53 HydrophobicContact CG1-CZ 3.86Å; I40-L98 HydrophobicContact CD1-CB 4.17Å; I40-L98 HydrophobicContact CD1-CD2 3.8Å; I40-Y101 HydrophobicContact CB-CD1 4.22Å; I40-Y101 HydrophobicContact CB-CE1 4.24Å; I40-Y101 HydrophobicContact CD1-CD1 4.25Å; I40-Y101 HydrophobicContact CG2-CD1 3.97Å; I40-Y101 HydrophobicContact CG2-CE1 4.14Å; I40-A102 HydrophobicContact CG2-CB 3.99Å; I40-V105 HydrophobicContact CG2-CG2 3.83Å; I40-I107 HydrophobicContact CG2-CG2 3.74Å; I40-F109 HydrophobicContact CD1-CE2 4.49Å
41K98.9Very high98.7Very high90 Ų9039.5 Ų39.539%0.39121%0.206SC..Hα-helixtrans-62-44.3178.7-169.2-167.6-179.8-51.70111K37 E38 A43 K44 D45K37-K41 PolarHBondContact O-N 3.33Å; E38-K41 PolarHBondContact O-N 2.58Å; K41-A43 PolarHBondContact O-N 2.8Å; K41-K44 WeakPolarHBondContact O-CB 3.12Å; K41-K44 PolarHBondContact O-N 3.35Å; K41-D45 IonicContact NZ-OD1 2.65Å; K41-D45 PolarHBondContact NZ-OD1 3.23Å; K41-D45 IonicContact NZ-OD2 2.94Å; K41-D45 PolarHBondContact NZ-OD2 2.93Å; K41-D45 VanDerWaalsContact O-CG 3.23Å; K41-D45 PolarHBondContact O-N 3.47Å
42M98.8Very high98.8Very high15 Ų1538.3 Ų38.37%0.07419%0.194CC..Hα-helixtrans-60-44.2177.9-178.3-81.8-72.500112.2E38 M39 I40 K44 D45 C46 I239 L241 P256 L259E38-M42 VanDerWaalsContact O-CB 3.32Å; E38-M42 WeakPolarHBondContact O-CB 3.41Å; E38-M42 PolarHBondContact O-N 3.27Å; M39-M42 PolarHBondContact O-N 3.45Å; I40-M42 VanDerWaalsContact C-N 3.34Å; I40-M42 PolarHBondContact O-N 3.14Å; M42-K44 VanDerWaalsContact C-N 3.3Å; M42-K44 PolarHBondContact O-N 3.28Å; M42-D45 PolarHBondContact O-N 2.86Å; M42-C46 WeakPolarHBondContact O-CB 3.42Å; M42-C46 PolarHBondContact O-N 2.89Å; M42-C46 PolarHBondContact O-SG 3.15Å; M42-I239 HydrophobicContact CE-CB 4.11Å; M42-I239 HydrophobicContact CE-CD1 3.54Å; M42-I239 HydrophobicContact CE-CG1 4.33Å; M42-L241 HydrophobicContact CB-CD2 4.24Å; M42-L241 HydrophobicContact CE-CD2 4.34Å; M42-L241 HydrophobicContact CG-CD2 4.18Å; M42-P256 HydrophobicContact CE-CG 4.34Å; M42-P256 HydrophobicContact CG-CB 3.82Å; M42-P256 HydrophobicContact CG-CG 3.62Å; M42-P256 HydrophobicContact SD-CB 3.93Å; M42-P256 HydrophobicContact SD-CG 3.91Å; M42-L259 HydrophobicContact SD-CD2 3.95Å
43A98.9Very high98.8Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-58.4-43.3175.800000111.6A23 M39 I40 K41 C46 G47 A48 I107 I239A23-A43 HydrophobicContact CB-CB 3.65Å; M39-A43 WeakPolarHBondContact O-CB 3.36Å; M39-A43 PolarHBondContact O-N 2.79Å; I40-A43 PolarHBondContact O-N 3.33Å; K41-A43 PolarHBondContact O-N 2.8Å; A43-C46 PolarHBondContact O-N 3.11Å; A43-G47 PolarHBondContact O-N 2.58Å; A43-A48 HydrophobicContact CB-CB 4.33Å; A43-A48 WeakPolarHBondContact O-CB 3.49Å; A43-A48 PolarHBondContact O-N 3.06Å; A43-I107 HydrophobicContact CB-CD1 3.84Å; A43-I239 HydrophobicContact CB-CD1 4.02Å
44K98.8Very high98.8Very high88 Ų8834.5 Ų34.538%0.38317%0.173SC..Hα-helixtrans-63.5-49.2175.617559.5-179.9-173.40112.2I40 K41 M42 C46 G47 V105 G106 I107I40-K44 PolarHBondContact O-N 3.18Å; I40-K44 VanDerWaalsContact O-N 3.13Å; K41-K44 WeakPolarHBondContact O-CB 3.12Å; K41-K44 PolarHBondContact O-N 3.35Å; M42-K44 VanDerWaalsContact C-N 3.3Å; M42-K44 PolarHBondContact O-N 3.28Å; K44-C46 PolarHBondContact O-N 3.48Å; K44-G47 PolarHBondContact O-N 2.77Å; K44-V105 HydrophobicContact CB-CG2 4.39Å; K44-V105 WeakPolarHBondContact CE-O 3.26Å; K44-V105 WeakPolarHBondContact CG-O 3.31Å; K44-G106 WeakPolarHBondContact CD-O 3.35Å; K44-G106 VanDerWaalsContact CE-O 3.32Å; K44-G106 WeakPolarHBondContact CE-O 3.43Å; K44-G106 PolarHBondContact NZ-O 2.71Å; K44-I107 HydrophobicContact CB-CB 4.17Å; K44-I107 HydrophobicContact CB-CD1 4.25Å; K44-I107 HydrophobicContact CD-CB 4.19Å
45D98.8Very high98.8Very high108 Ų10827.7 Ų27.758%0.57814%0.144SC*.Hα-helixtrans-60.5-33.2-179-67.9-17.6000111.5K41 M42 G47K41-D45 IonicContact NZ-OD1 2.65Å; K41-D45 PolarHBondContact NZ-OD1 3.23Å; K41-D45 IonicContact NZ-OD2 2.94Å; K41-D45 PolarHBondContact NZ-OD2 2.93Å; K41-D45 VanDerWaalsContact O-CG 3.23Å; K41-D45 PolarHBondContact O-N 3.47Å; M42-D45 PolarHBondContact O-N 2.86Å; D45-G47 VanDerWaalsContact C-N 3.29Å; D45-G47 PolarHBondContact O-N 2.83Å
46C98.9Very high98.7Very high19 Ų1926.3 Ų26.313%0.12814%0.137CC..THydrogen-bonded Turntrans-77.6-11.9175.9-640000113.9M42 A43 K44 P256 L259 A260 V263M42-C46 WeakPolarHBondContact O-CB 3.42Å; M42-C46 PolarHBondContact O-N 2.89Å; M42-C46 PolarHBondContact O-SG 3.15Å; A43-C46 PolarHBondContact O-N 3.11Å; K44-C46 PolarHBondContact O-N 3.48Å; C46-P256 PolarHBondContact SG-O 2.84Å; C46-L259 HydrophobicContact CB-CB 4.2Å; C46-L259 HydrophobicContact CB-CD2 3.64Å; C46-L259 HydrophobicContact CB-CG 3.72Å; C46-A260 HydrophobicContact CB-CB 4.12Å; C46-V263 WeakPolarHBondContact O-CG2 3.43Å
47G98.7Very high98.6Very high36 Ų3628.7 Ų28.737%0.37115%0.148SC..THydrogen-bonded Turntrans89.221.6178.700000115.3A43 K44 D45A43-G47 PolarHBondContact O-N 2.58Å; K44-G47 PolarHBondContact O-N 2.77Å; D45-G47 VanDerWaalsContact C-N 3.29Å; D45-G47 PolarHBondContact O-N 2.83Å
48A98.8Very high98.5Very high7 Ų727.1 Ų27.16%0.05814%0.142CC..  trans-67.2151.7169.300000111.1I21 A23 A43 I107I21-A48 HydrophobicContact CG2-CB 4.42Å; A23-A48 HydrophobicContact CB-CB 3.9Å; A43-A48 HydrophobicContact CB-CB 4.33Å; A43-A48 WeakPolarHBondContact O-CB 3.49Å; A43-A48 PolarHBondContact O-N 3.06Å; A48-I107 HydrophobicContact CB-CD1 4.42Å
49D98.9Very high98.4Very high27 Ų2728.2 Ų28.214%0.14415%0.154CC..SBendtrans-82-34.5179.5-63.6-87.1000111.4R11 F20 I21 I107 F108 R267R11-D49 IonicContact CZ-OD1 3.73Å; R11-D49 IonicContact NE-OD1 2.8Å; R11-D49 PolarHBondContact NE-OD1 3.02Å; R11-D49 IonicContact NH2-OD1 2.81Å; R11-D49 PolarHBondContact NH2-OD1 3.15Å; R11-D49 IonicContact NH2-OD2 3.93Å; F20-D49 WeakPolarHBondContact CA-OD2 3.29Å; F20-D49 HydrophobicContact CD1-CB 4.12Å; F20-D49 HydrophobicContact CD2-CB 3.74Å; F20-D49 HydrophobicContact CE1-CB 3.95Å; F20-D49 HydrophobicContact CE2-CB 3.57Å; F20-D49 HydrophobicContact CG-CB 4.03Å; F20-D49 HydrophobicContact CZ-CB 3.67Å; I21-D49 PolarHBondContact N-OD2 3.35Å; I21-D49 PolarHBondContact O-N 2.65Å; D49-I107 WeakPolarHBondContact O-CG1 3.25Å; D49-F108 WeakPolarHBondContact O-CB 3.44Å; D49-F108 WeakPolarHBondContact O-CD2 3.35Å; D49-F108 PolarHBondContact O-N 2.99Å; D49-R267 IonicContact OD2-NH2 3.07Å
50C98.9Very high98.2Very high0 Ų035.4 Ų35.40%018%0.182CC..EExtended strand (participates in β ladder)trans-140.9137.2-174.4-1720000112.3F20 I21 I22 A23 F108F20-C50 HydrophobicContact CE1-CB 3.56Å; F20-C50 HydrophobicContact CZ-CB 3.73Å; I21-C50 PolarHBondContact O-N 2.9Å; I22-C50 HydrophobicContact CG1-CB 4.46Å; A23-C50 PolarHBondContact N-O 3.43Å; C50-F108 CarbonylContact C-O 3.58Å; C50-F108 WeakPolarHBondContact CA-O 3.41Å; C50-F108 HydrophobicContact CB-CB 4.11Å; C50-F108 PolarHBondContact SG-O 2.8Å
51A98.9Very high98.1Very high0 Ų038.9 Ų38.90%020%0.195CC..EExtended strand (participates in β ladder)trans-92.7127.2162.700000109.2I25 I40 I107 F108 T110I25-A51 HydrophobicContact CD1-CB 4.03Å; I40-A51 HydrophobicContact CG1-CB 4.06Å; A51-I107 HydrophobicContact CB-CD1 4.13Å; A51-I107 HydrophobicContact CB-CG2 4.44Å; A51-F108 PolarHBondContact N-O 3.12Å; A51-T110 PolarHBondContact O-N 3.02Å
52K98.9Very high98Very high1 Ų136.3 Ų36.30%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-121.1140-177-175.1173.567.780.20112.8I22 A23 E24 I25 G26 T110 S112 K131 E236I22-K52 HydrophobicContact CG2-CB 3.57Å; I22-K52 HydrophobicContact CG2-CD 3.97Å; I22-K52 HydrophobicContact CG2-CG 4.39Å; A23-K52 PolarHBondContact O-N 3.4Å; E24-K52 IonicContact OE1-NZ 3.47Å; E24-K52 PolarHBondContact OE1-NZ 2.85Å; E24-K52 VanDerWaalsContact OE1-NZ 3.15Å; E24-K52 WeakPolarHBondContact OE2-CB 3.42Å; E24-K52 WeakPolarHBondContact OE2-CE 3.33Å; E24-K52 VanDerWaalsContact OE2-CG 3.24Å; E24-K52 WeakPolarHBondContact OE2-CG 3.17Å; E24-K52 IonicContact OE2-NZ 3.52Å; E24-K52 PolarHBondContact OE2-NZ 3.3Å; I25-K52 WeakPolarHBondContact CA-O 3.26Å; I25-K52 WeakPolarHBondContact CB-O 3.23Å; I25-K52 PolarHBondContact N-O 3.31Å; G26-K52 PolarHBondContact N-O 3.15Å; K52-T110 WeakPolarHBondContact CA-O 3.19Å; K52-T110 HydrophobicContact CB-CG2 3.98Å; K52-T110 HydrophobicContact CD-CG2 3.94Å; K52-T110 HydrophobicContact CG-CG2 3.7Å; K52-S112 PolarHBondContact NZ-OG 3.4Å; K52-K131 HydrophobicContact CD-CB 3.73Å; K52-K131 HydrophobicContact CD-CD 4.08Å; K52-K131 HydrophobicContact CD-CG 3.67Å; K52-E236 WeakPolarHBondContact CE-OE1 3.44Å; K52-E236 WeakPolarHBondContact CE-OE2 3.33Å; K52-E236 IonicContact NZ-OE1 2.71Å; K52-E236 PolarHBondContact NZ-OE1 2.97Å; K52-E236 IonicContact NZ-OE2 3.67Å
53F98.8Very high98Very high0 Ų040.7 Ų40.70%021%0.208CC..EExtended strand (participates in β ladder)trans-117.7-177.1177.4-70.1-97.6000112I25 H29 A36 I40 F90 Y95 L98 F109 T110 A111 S112I25-F53 HydrophobicContact CB-CD1 4.27Å; I25-F53 HydrophobicContact CB-CE1 4.04Å; I25-F53 HydrophobicContact CB-CE2 4.48Å; I25-F53 HydrophobicContact CB-CZ 4.15Å; I25-F53 HydrophobicContact CD1-CE1 4.14Å; I25-F53 HydrophobicContact CD1-CE2 3.64Å; I25-F53 HydrophobicContact CD1-CZ 3.41Å; I25-F53 VanDerWaalsContact CD1-CZ 3.41Å; I25-F53 HydrophobicContact CG1-CZ 4.35Å; I25-F53 HydrophobicContact CG2-CD1 4.03Å; I25-F53 HydrophobicContact CG2-CE1 3.56Å; I25-F53 HydrophobicContact CG2-CZ 3.98Å; H29-F53 AromaticContact CD2-CD1 3.84Å; H29-F53 AromaticContact CD2-CE1 3.86Å; A36-F53 HydrophobicContact CB-CE1 3.89Å; A36-F53 HydrophobicContact CB-CZ 4.14Å; I40-F53 HydrophobicContact CD1-CE2 3.87Å; I40-F53 HydrophobicContact CD1-CZ 3.82Å; I40-F53 HydrophobicContact CG1-CE2 3.89Å; I40-F53 HydrophobicContact CG1-CZ 3.86Å; F53-F90 HydrophobicContact CE1-CE2 4.34Å; F53-Y95 HydrophobicContact CB-CE1 3.91Å; F53-L98 HydrophobicContact CE1-CD1 4.07Å; F53-L98 HydrophobicContact CZ-CD1 4.15Å; F53-F109 HydrophobicContact CD2-CD2 4.17Å; F53-F109 AromaticContact CD2-CE2 3.4Å; F53-F109 HydrophobicContact CD2-CE2 3.4Å; F53-F109 VanDerWaalsContact CD2-CE2 3.4Å; F53-F109 AromaticContact CD2-CZ 3.88Å; F53-F109 HydrophobicContact CD2-CZ 3.88Å; F53-F109 HydrophobicContact CE2-CD2 4.04Å; F53-F109 AromaticContact CE2-CE2 3.4Å; F53-F109 HydrophobicContact CE2-CE2 3.4Å; F53-F109 VanDerWaalsContact CE2-CE2 3.4Å; F53-F109 HydrophobicContact CE2-CZ 4.29Å; F53-F109 HydrophobicContact CG-CE2 4.42Å; F53-F109 HydrophobicContact CZ-CE2 4.4Å; F53-T110 PolarHBondContact N-O 3.12Å; F53-A111 HydrophobicContact CB-CB 4.04Å; F53-A111 CarbonylContact O-C 3.44Å; F53-A111 WeakPolarHBondContact O-CA 3.46Å; F53-A111 WeakPolarHBondContact O-CB 3.36Å; F53-S112 PolarHBondContact O-N 3.28Å
54Q98.1Very high97.9Very high22 Ų2247.9 Ų47.910%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-123.2121.2171.9-67.7174.41900110.6E24 Y95 M114E24-Q54 WeakPolarHBondContact OE1-CG 3.48Å; E24-Q54 PolarHBondContact OE1-NE2 2.8Å; Q54-Y95 PolarHBondContact O-OH 3.46Å; Q54-M114 HydrophobicContact CB-CE 4.12Å; Q54-M114 HydrophobicContact CG-CE 3.61Å
55K98.1Very high97.9Very high3 Ų351.8 Ų51.81%0.01326%0.256CS..EExtended strand (participates in β ladder)trans-109130.8177.7-178.774.7-165.779.40110.2E57 E89 Y95 A111 S112 M114 A118 F121 L122K55-E57 VanDerWaalsContact CE-OE1 3.24Å; K55-E57 WeakPolarHBondContact CE-OE1 3.45Å; K55-E57 IonicContact NZ-OE1 2.7Å; K55-E57 PolarHBondContact NZ-OE1 3.33Å; K55-E89 WeakPolarHBondContact CD-OE1 3.33Å; K55-E89 IonicContact NZ-OE1 3.89Å; K55-E89 PolarHBondContact NZ-OE1 3.25Å; K55-Y95 HydrophobicContact CB-CE1 4.43Å; K55-Y95 HydrophobicContact CB-CE2 4.34Å; K55-Y95 HydrophobicContact CD-CD2 3.64Å; K55-Y95 HydrophobicContact CD-CE1 4.48Å; K55-Y95 HydrophobicContact CD-CE2 3.23Å; K55-Y95 HydrophobicContact CD-CG 4.42Å; K55-Y95 HydrophobicContact CG-CE2 4.36Å; K55-Y95 PolarHBondContact N-OH 2.94Å; K55-A111 HydrophobicContact CB-CB 4.27Å; K55-S112 PolarHBondContact N-O 3.31Å; K55-M114 WeakPolarHBondContact O-CB 3.42Å; K55-M114 PolarHBondContact O-N 3.36Å; K55-A118 HydrophobicContact CB-CB 4.19Å; K55-A118 HydrophobicContact CG-CB 3.72Å; K55-A118 VanDerWaalsContact O-CB 3.32Å; K55-A118 WeakPolarHBondContact O-CB 3.15Å; K55-F121 HydrophobicContact CD-CD1 3.96Å; K55-F121 HydrophobicContact CD-CE1 4.15Å; K55-F121 HydrophobicContact CG-CD1 4.08Å; K55-L122 HydrophobicContact CB-CD1 4.4Å
56S97.4Very high97.8Very high1 Ų147.9 Ų47.91%0.00724%0.239CC..  trans-136.9142.2171.7-36.90000111.5R61 E89 M114 D115S56-R61 PolarHBondContact OG-NH1 3.32Å; S56-E89 PolarHBondContact N-OE1 3.42Å; S56-E89 PolarHBondContact N-OE2 3.31Å; S56-M114 WeakPolarHBondContact OG-CB 3.28Å; S56-D115 VanDerWaalsContact CA-OD2 3.27Å; S56-D115 WeakPolarHBondContact CA-OD2 3.44Å
57E97.1Very high97.8Very high50 Ų5047.7 Ų47.723%0.23424%0.237CC..  trans-95.699.7157.6-60.5-55.9146.600108.2K55 V59 Y60 R61 H92 D115 M117K55-E57 VanDerWaalsContact CE-OE1 3.24Å; K55-E57 WeakPolarHBondContact CE-OE1 3.45Å; K55-E57 IonicContact NZ-OE1 2.7Å; K55-E57 PolarHBondContact NZ-OE1 3.33Å; E57-V59 PolarHBondContact O-N 2.71Å; E57-Y60 HydrophobicContact CB-CD2 3.54Å; E57-Y60 HydrophobicContact CB-CE2 4.27Å; E57-Y60 HydrophobicContact CB-CG 4.4Å; E57-Y60 WeakPolarHBondContact O-CB 3.42Å; E57-Y60 PolarHBondContact O-N 3.39Å; E57-R61 PolarHBondContact O-N 2.71Å; E57-R61 VanDerWaalsContact O-N 3.08Å; E57-H92 IonicContact OE1-CD2 2.71Å; E57-H92 IonicContact OE1-CE1 2.63Å; E57-H92 IonicContact OE1-NE2 3.57Å; E57-H92 PolarHBondContact OE1-NE2 2.87Å; E57-D115 PolarHBondContact N-OD2 2.96Å; E57-M117 HydrophobicContact CB-CB 4.02Å; E57-M117 HydrophobicContact CG-CB 3.62Å
58L96.5Very high97.8Very high18 Ų1851.2 Ų51.29%0.09424%0.243CC..Hα-helixtrans-55.3-33.4-162-62.2-178.3000114.9Y60 F62 L67 K85 R86L58-Y60 VanDerWaalsContact C-N 3.31Å; L58-F62 HydrophobicContact CD2-CD2 4.17Å; L58-F62 HydrophobicContact CD2-CE2 3.99Å; L58-F62 WeakPolarHBondContact O-CB 3.38Å; L58-F62 PolarHBondContact O-N 3.31Å; L58-L67 HydrophobicContact CB-CD2 4.31Å; L58-K85 HydrophobicContact CD1-CB 3.96Å; L58-K85 HydrophobicContact CD2-CB 3.75Å; L58-K85 HydrophobicContact CD2-CG 4.5Å; L58-R86 HydrophobicContact CD1-CB 4.27Å; L58-R86 HydrophobicContact CD1-CG 3.42Å; L58-R86 VanDerWaalsContact CD1-CG 3.42Å
59V96.4Very high97.7Very high108 Ų10857.2 Ų57.266%0.65526%0.264SS*.Hα-helixtrans-74.5-21.6179.8-60.30000113.3E57E57-V59 PolarHBondContact O-N 2.71Å
60Y95.8Very high97.7Very high150 Ų15060.6 Ų60.659%0.58829%0.288SS*.Hα-helixtrans-88.9-31.9174.5-63.3-87.6000111.2E57 L58 M117E57-Y60 HydrophobicContact CB-CD2 3.54Å; E57-Y60 HydrophobicContact CB-CE2 4.27Å; E57-Y60 HydrophobicContact CB-CG 4.4Å; E57-Y60 WeakPolarHBondContact O-CB 3.42Å; E57-Y60 PolarHBondContact O-N 3.39Å; L58-Y60 VanDerWaalsContact C-N 3.31Å; Y60-M117 HydrophobicContact CD1-CG 3.64Å; Y60-M117 HydrophobicContact CD2-CB 4.13Å; Y60-M117 HydrophobicContact CD2-CG 3.68Å; Y60-M117 HydrophobicContact CE1-CG 3.66Å; Y60-M117 HydrophobicContact CE1-SD 4.35Å; Y60-M117 HydrophobicContact CE2-CB 4.36Å; Y60-M117 HydrophobicContact CE2-CG 3.7Å; Y60-M117 HydrophobicContact CG-CB 4.33Å; Y60-M117 HydrophobicContact CG-CG 3.64Å
61R96.1Very high97.6Very high74 Ų7463 Ų6328%0.27930%0.297SS..Hα-helixtrans-78.1-39.5177.5-175.4173.5177.3-177.34.3113.6S56 E57 M114 D115S56-R61 PolarHBondContact OG-NH1 3.32Å; E57-R61 PolarHBondContact O-N 2.71Å; E57-R61 VanDerWaalsContact O-N 3.08Å; R61-M114 WeakPolarHBondContact CD-O 3.39Å; R61-M114 WeakPolarHBondContact CG-O 3.11Å; R61-D115 HydrophobicContact CB-CB 4.19Å
62F97.3Very high97.4Very high35 Ų3569.6 Ų69.615%0.15434%0.338CS..SBendtrans-123.5138.1-171.6-60.2-74.2000111.6L58 A66 L67 Y81 K85L58-F62 HydrophobicContact CD2-CD2 4.17Å; L58-F62 HydrophobicContact CD2-CE2 3.99Å; L58-F62 WeakPolarHBondContact O-CB 3.38Å; L58-F62 PolarHBondContact O-N 3.31Å; F62-A66 HydrophobicContact CB-CB 4.23Å; F62-A66 HydrophobicContact CD1-CB 4.25Å; F62-L67 HydrophobicContact CB-CD1 4.33Å; F62-L67 HydrophobicContact CB-CD2 3.73Å; F62-L67 HydrophobicContact CB-CG 3.7Å; F62-L67 HydrophobicContact CD2-CD2 3.9Å; F62-L67 HydrophobicContact CG-CD2 4.05Å; F62-Y81 HydrophobicContact CD1-CE1 4.5Å; F62-Y81 AromaticContact CE1-CE1 3.8Å; F62-Y81 HydrophobicContact CE1-CE1 3.8Å; F62-Y81 AromaticContact CZ-CE1 3.82Å; F62-Y81 HydrophobicContact CZ-CE1 3.82Å; F62-K85 HydrophobicContact CE2-CG 4.38Å
63N97.6Very high97.2Very high107 Ų10771.6 Ų71.657%0.57235%0.352SS*.  trans-70.8162.7165.974.917.2000111.1K65 A66 L67N63-K65 VanDerWaalsContact C-N 3.3Å; N63-K65 PolarHBondContact O-N 3.47Å; N63-K65 PolarHBondContact OD1-N 2.86Å; N63-A66 PolarHBondContact O-N 3.23Å; N63-A66 VanDerWaalsContact O-N 3.1Å; N63-A66 WeakPolarHBondContact OD1-CB 3.46Å; N63-A66 PolarHBondContact OD1-N 2.98Å; N63-L67 PolarHBondContact O-N 2.97Å; N63-L67 VanDerWaalsContact O-N 3.17Å
64K97.7Very high97Very high151 Ų15180.2 Ų80.266%0.65739%0.39SS*.Hα-helixtrans-52.8-45-178.7-176.8174.9175.5179.30112.9A66 L67 E68K64-A66 VanDerWaalsContact C-N 3.33Å; K64-A66 PolarHBondContact O-N 3.28Å; K64-L67 PolarHBondContact O-N 3.16Å; K64-E68 WeakPolarHBondContact CE-OE1 3.46Å; K64-E68 HydrophobicContact CG-CG 4.37Å; K64-E68 IonicContact NZ-OE1 3.83Å; K64-E68 WeakPolarHBondContact O-CG 3.44Å; K64-E68 PolarHBondContact O-N 2.9Å
65K98.2Very high96.8Very high171 Ų17180.3 Ų80.374%0.74339%0.391SS*.Hα-helixtrans-62.2-37.8-179.6-171.5178.7-179.7179.20112.5N63 R69N63-K65 VanDerWaalsContact C-N 3.3Å; N63-K65 PolarHBondContact O-N 3.47Å; N63-K65 PolarHBondContact OD1-N 2.86Å; K65-R69 PolarHBondContact O-N 2.83Å; K65-R69 VanDerWaalsContact O-N 3.12Å
66A97.8Very high96.7Very high26 Ų2681 Ų8122%0.21540%0.396CS..Hα-helixtrans-68.4-38.8176.800000111.7F62 N63 K64 R69F62-A66 HydrophobicContact CB-CB 4.23Å; F62-A66 HydrophobicContact CD1-CB 4.25Å; N63-A66 PolarHBondContact O-N 3.23Å; N63-A66 VanDerWaalsContact O-N 3.1Å; N63-A66 WeakPolarHBondContact OD1-CB 3.46Å; N63-A66 PolarHBondContact OD1-N 2.98Å; K64-A66 VanDerWaalsContact C-N 3.33Å; K64-A66 PolarHBondContact O-N 3.28Å; A66-R69 WeakPolarHBondContact O-CB 3.44Å; A66-R69 PolarHBondContact O-N 3.33Å
67L97.9Very high96.7Very high15 Ų1584.9 Ų84.98%0.07941%0.411CS..Hα-helixtrans-68.5-36.3175.6-67.2174.2000112.4L58 F62 N63 K64 R69 T80 G82L58-L67 HydrophobicContact CB-CD2 4.31Å; F62-L67 HydrophobicContact CB-CD1 4.33Å; F62-L67 HydrophobicContact CB-CD2 3.73Å; F62-L67 HydrophobicContact CB-CG 3.7Å; F62-L67 HydrophobicContact CD2-CD2 3.9Å; F62-L67 HydrophobicContact CG-CD2 4.05Å; N63-L67 PolarHBondContact O-N 2.97Å; N63-L67 VanDerWaalsContact O-N 3.17Å; K64-L67 PolarHBondContact O-N 3.16Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-T80 WeakPolarHBondContact O-CB 3.31Å; L67-G82 WeakPolarHBondContact O-CA 3.4Å; L67-G82 PolarHBondContact O-N 3.21Å
68E98.1Very high96.7Very high109 Ų10983.6 Ų83.651%0.50941%0.411SS..Hα-helixtrans-81.7-8.8179.6-69.9173.1165.500113.5K64K64-E68 WeakPolarHBondContact CE-OE1 3.46Å; K64-E68 HydrophobicContact CG-CG 4.37Å; K64-E68 IonicContact NZ-OE1 3.83Å; K64-E68 WeakPolarHBondContact O-CG 3.44Å; K64-E68 PolarHBondContact O-N 2.9Å
69R98.3Very high96.7Very high133 Ų13390.9 Ų90.950%0.50244%0.441SS..SBendtrans-56.3126.7-179.8-177.8174.362.4-178.8-1110.4K65 A66 L67 Y71 T80 Y81K65-R69 PolarHBondContact O-N 2.83Å; K65-R69 VanDerWaalsContact O-N 3.12Å; A66-R69 WeakPolarHBondContact O-CB 3.44Å; A66-R69 PolarHBondContact O-N 3.33Å; L67-R69 VanDerWaalsContact C-N 3.31Å; R69-Y71 PolarHBondContact O-N 2.6Å; R69-T80 CarbonylContact O-C 3.53Å; R69-T80 WeakPolarHBondContact O-CA 3.35Å; R69-Y81 PolarHBondContact O-N 2.82Å
70P98.1Very high96.8Very high99 Ų9987 Ų8764%0.64342%0.418SS*.BIsolated β-bridgetrans-55135.9173-26.335000111.3
71Y96.9Very high96.9Very high50 Ų5081.7 Ų81.720%0.19640%0.397CS..  trans-128.596.4178.7-168.7-131.2000110.3R69 S76 K79 Y81 H84R69-Y71 PolarHBondContact O-N 2.6Å; Y71-S76 WeakPolarHBondContact CD1-OG 3.5Å; Y71-S76 VanDerWaalsContact O-CB 3.24Å; Y71-S76 WeakPolarHBondContact O-CB 3.49Å; Y71-S76 PolarHBondContact O-OG 3.31Å; Y71-K79 PolarHBondContact N-O 3.24Å; Y71-Y81 HydrophobicContact CD1-CD2 4.17Å; Y71-Y81 HydrophobicContact CD2-CD2 4.16Å; Y71-Y81 HydrophobicContact CE1-CD2 4.43Å; Y71-Y81 HydrophobicContact CE2-CD2 4.42Å; Y71-Y81 HydrophobicContact CG-CD2 4.05Å; Y71-H84 HydrophobicContact CD1-CB 3.8Å; Y71-H84 AromaticContact CD1-CD2 3.98Å; Y71-H84 AromaticContact CD1-CG 3.75Å; Y71-H84 HydrophobicContact CE1-CB 4.24Å; Y71-H84 AromaticContact CE1-CD2 3.63Å; Y71-H84 AromaticContact CE1-CE1 3.92Å; Y71-H84 AromaticContact CE1-CG 3.66Å; Y71-H84 AromaticContact CE1-ND1 3.86Å; Y71-H84 AromaticContact CE1-NE2 3.8Å
72T95.1Very high97Very high138 Ų13878.2 Ų78.285%0.84738%0.384SS*.  trans-102.613.4-171.553.30000113.5
73S94.1Very high97Very high43 Ų4380.2 Ų80.230%0.30139%0.394SS..SBendtrans-63149.6174.8175.10000111.3N75 S76S73-N75 PolarHBondContact O-N 3.09Å; S73-N75 PolarHBondContact OG-N 2.63Å; S73-S76 WeakPolarHBondContact O-CB 3.5Å; S73-S76 PolarHBondContact O-N 2.68Å
74K94.2Very high97Very high182 Ų18275.5 Ų75.579%0.79137%0.369SS*.THydrogen-bonded Turntrans-53.8-25.2169.267.2176.3-176.1176.70112.8S76 K246K74-S76 VanDerWaalsContact C-N 3.32Å; K74-K246 WeakPolarHBondContact O-CE 3.36Å
75N94.9Very high97Very high24 Ų2469 Ų6913%0.12834%0.341CS..THydrogen-bonded Turntrans-86.61.8179.3-63.7-25.5000113.6S73 K246 G247S73-N75 PolarHBondContact O-N 3.09Å; S73-N75 PolarHBondContact OG-N 2.63Å; N75-K246 VanDerWaalsContact C-CE 3.47Å; N75-K246 WeakPolarHBondContact O-CE 3.37Å; N75-G247 PolarHBondContact ND2-O 2.88Å; N75-G247 VanDerWaalsContact ND2-O 3.12Å; N75-G247 PolarHBondContact OD1-N 3.35Å
76S96.1Very high97Very high18 Ų1867.6 Ų67.613%0.12633%0.33CS..  trans-73.4136.2-175.5-168.80000113Y71 S73 K74 G78 K246Y71-S76 WeakPolarHBondContact CD1-OG 3.5Å; Y71-S76 VanDerWaalsContact O-CB 3.24Å; Y71-S76 WeakPolarHBondContact O-CB 3.49Å; Y71-S76 PolarHBondContact O-OG 3.31Å; S73-S76 WeakPolarHBondContact O-CB 3.5Å; S73-S76 PolarHBondContact O-N 2.68Å; K74-S76 VanDerWaalsContact C-N 3.32Å; S76-G78 PolarHBondContact OG-N 2.84Å; S76-G78 PolarHBondContact OG-O 2.89Å; S76-K246 WeakPolarHBondContact O-CE 3.21Å; S76-K246 PolarHBondContact O-NZ 2.7Å
77W96.8Very high97Very high82 Ų8270.1 Ų70.131%0.31134%0.338SS..SBendtrans-1029.7174.5-70109.3000112.8Q30 H84 H87 K246Q30-W77 HydrophobicContact CB-CZ2 4.07Å; Q30-W77 HydrophobicContact CG-CZ2 4.21Å; W77-H84 AromaticContact CD1-CE1 3.91Å; W77-H84 AromaticContact CD1-ND1 3.57Å; W77-H84 PolarHBondContact N-ND1 3.02Å; W77-H87 HydrophobicContact CB-CB 3.78Å; W77-H87 VanDerWaalsContact CB-CD2 3.49Å; W77-H87 WeakPolarHBondContact CB-CD2 3.5Å; W77-H87 AromaticContact CD1-CD2 3.65Å; W77-H87 AromaticContact CD2-CD2 3.44Å; W77-H87 VanDerWaalsContact CD2-CD2 3.44Å; W77-H87 AromaticContact CD2-NE2 3.31Å; W77-H87 VanDerWaalsContact CD2-NE2 3.31Å; W77-H87 AromaticContact CE2-CD2 3.96Å; W77-H87 AromaticContact CE2-NE2 3.75Å; W77-H87 AromaticContact CE3-CD2 3.91Å; W77-H87 AromaticContact CE3-CE1 3.83Å; W77-H87 AromaticContact CE3-NE2 3.37Å; W77-H87 HydrophobicContact CG-CB 4.47Å; W77-H87 AromaticContact CG-CD2 3.25Å; W77-H87 AromaticContact CG-CG 3.92Å; W77-H87 AromaticContact CG-NE2 3.71Å; W77-H87 AromaticContact CZ3-NE2 3.85Å; W77-K246 HydrophobicContact CD2-CD 4.31Å; W77-K246 VanDerWaalsContact CE3-NZ 3.32Å; W77-K246 HydrophobicContact CH2-CD 4Å; W77-K246 HydrophobicContact CZ2-CB 4.28Å; W77-K246 HydrophobicContact CZ2-CD 3.64Å; W77-K246 HydrophobicContact CZ2-CG 4.18Å; W77-K246 HydrophobicContact CZ3-CD 4.45Å
78G96.6Very high97Very high23 Ų2369.9 Ų69.924%0.23734%0.336CS..SBendtrans-167.6-176.117800000112.3S76S76-G78 PolarHBondContact OG-N 2.84Å; S76-G78 PolarHBondContact OG-O 2.89Å
79K97.5Very high96.9Very high170 Ų17066.1 Ų66.174%0.73932%0.319SS*.SBendtrans-78-30.9178.6-63.4179.2-178.5177.60112Y71 E83Y71-K79 PolarHBondContact N-O 3.24Å; K79-E83 PolarHBondContact N-OE2 2.64Å
80T98.3Very high97Very high27 Ų2760 Ų6017%0.16630%0.296CS..BIsolated β-bridgetrans-116.3158.3-177.362.90000111.4L67 R69 G82 E83 H84L67-T80 WeakPolarHBondContact O-CB 3.31Å; R69-T80 CarbonylContact O-C 3.53Å; R69-T80 WeakPolarHBondContact O-CA 3.35Å; T80-G82 PolarHBondContact O-N 3.14Å; T80-E83 PolarHBondContact O-N 3.16Å; T80-E83 VanDerWaalsContact OG1-CG 3.31Å; T80-E83 WeakPolarHBondContact OG1-CG 3.43Å; T80-E83 PolarHBondContact OG1-N 2.84Å; T80-E83 PolarHBondContact OG1-OE1 2.95Å; T80-H84 PolarHBondContact O-N 3.49Å
81Y97.6Very high97Very high39 Ų3958 Ų5815%0.15328%0.284CS..Hα-helixtrans-61.1-34.1176-167.8-115.5000111.6F62 R69 Y71 H84 K85F62-Y81 HydrophobicContact CD1-CE1 4.5Å; F62-Y81 AromaticContact CE1-CE1 3.8Å; F62-Y81 HydrophobicContact CE1-CE1 3.8Å; F62-Y81 AromaticContact CZ-CE1 3.82Å; F62-Y81 HydrophobicContact CZ-CE1 3.82Å; R69-Y81 PolarHBondContact O-N 2.82Å; Y71-Y81 HydrophobicContact CD1-CD2 4.17Å; Y71-Y81 HydrophobicContact CD2-CD2 4.16Å; Y71-Y81 HydrophobicContact CE1-CD2 4.43Å; Y71-Y81 HydrophobicContact CE2-CD2 4.42Å; Y71-Y81 HydrophobicContact CG-CD2 4.05Å; Y81-H84 PolarHBondContact O-N 3.43Å; Y81-K85 HydrophobicContact CD1-CG 4.29Å; Y81-K85 HydrophobicContact CE1-CG 4.01Å; Y81-K85 WeakPolarHBondContact O-CB 3.37Å; Y81-K85 WeakPolarHBondContact O-CG 2.92Å; Y81-K85 PolarHBondContact O-N 2.97Å; Y81-K85 WeakPolarHBondContact OH-CE 3.27Å
82G97.9Very high97Very high0 Ų058.7 Ų58.70%029%0.289CS..Hα-helixtrans-65.6-42.5174.200000113.2L67 T80 K85 R86L67-G82 WeakPolarHBondContact O-CA 3.4Å; L67-G82 PolarHBondContact O-N 3.21Å; T80-G82 PolarHBondContact O-N 3.14Å; G82-K85 PolarHBondContact O-N 3.29Å; G82-R86 WeakPolarHBondContact O-CB 3.43Å; G82-R86 VanDerWaalsContact O-CG 3.29Å; G82-R86 WeakPolarHBondContact O-CG 3.45Å; G82-R86 PolarHBondContact O-N 3.35Å
83E98.2Very high97.2Very high77 Ų7757.4 Ų57.436%0.3628%0.277SS..Hα-helixtrans-61.8-45.1172.8-75163.3-135.300111.7K79 T80 K85 R86 H87K79-E83 PolarHBondContact N-OE2 2.64Å; T80-E83 PolarHBondContact O-N 3.16Å; T80-E83 VanDerWaalsContact OG1-CG 3.31Å; T80-E83 WeakPolarHBondContact OG1-CG 3.43Å; T80-E83 PolarHBondContact OG1-N 2.84Å; T80-E83 PolarHBondContact OG1-OE1 2.95Å; E83-K85 VanDerWaalsContact C-N 3.34Å; E83-K85 PolarHBondContact O-N 3.31Å; E83-R86 PolarHBondContact O-N 3.11Å; E83-H87 PolarHBondContact O-N 3.16Å
84H97.8Very high97.4Very high8 Ų858.2 Ų58.24%0.03728%0.276CS..Hα-helixtrans-58.4-44.3175.3166.775.7000112.1Y71 W77 T80 Y81 H87 L88Y71-H84 HydrophobicContact CD1-CB 3.8Å; Y71-H84 AromaticContact CD1-CD2 3.98Å; Y71-H84 AromaticContact CD1-CG 3.75Å; Y71-H84 HydrophobicContact CE1-CB 4.24Å; Y71-H84 AromaticContact CE1-CD2 3.63Å; Y71-H84 AromaticContact CE1-CE1 3.92Å; Y71-H84 AromaticContact CE1-CG 3.66Å; Y71-H84 AromaticContact CE1-ND1 3.86Å; Y71-H84 AromaticContact CE1-NE2 3.8Å; W77-H84 AromaticContact CD1-CE1 3.91Å; W77-H84 AromaticContact CD1-ND1 3.57Å; W77-H84 PolarHBondContact N-ND1 3.02Å; T80-H84 PolarHBondContact O-N 3.49Å; Y81-H84 PolarHBondContact O-N 3.43Å; H84-H87 PolarHBondContact O-N 3.21Å; H84-L88 WeakPolarHBondContact CE1-CD1 3.36Å; H84-L88 WeakPolarHBondContact O-CG 3.27Å; H84-L88 PolarHBondContact O-N 2.97Å
85K97.4Very high97.6Very high16 Ų1649.6 Ų49.67%0.0724%0.238CC..Hα-helixtrans-69.6-38.6178.2-72.5-62.4-179.2-172.20113.2L58 F62 Y81 G82 E83 H87 L88 E89L58-K85 HydrophobicContact CD1-CB 3.96Å; L58-K85 HydrophobicContact CD2-CB 3.75Å; L58-K85 HydrophobicContact CD2-CG 4.5Å; F62-K85 HydrophobicContact CE2-CG 4.38Å; Y81-K85 HydrophobicContact CD1-CG 4.29Å; Y81-K85 HydrophobicContact CE1-CG 4.01Å; Y81-K85 WeakPolarHBondContact O-CB 3.37Å; Y81-K85 WeakPolarHBondContact O-CG 2.92Å; Y81-K85 PolarHBondContact O-N 2.97Å; Y81-K85 WeakPolarHBondContact OH-CE 3.27Å; G82-K85 PolarHBondContact O-N 3.29Å; E83-K85 VanDerWaalsContact C-N 3.34Å; E83-K85 PolarHBondContact O-N 3.31Å; K85-H87 VanDerWaalsContact C-N 3.29Å; K85-H87 PolarHBondContact O-N 2.71Å; K85-L88 PolarHBondContact O-N 3.23Å; K85-E89 WeakPolarHBondContact O-CB 3.4Å; K85-E89 PolarHBondContact O-N 3.44Å
86R97.6Very high97.8Very high141 Ų14152.6 Ų52.653%0.53225%0.248SC..Hα-helixtrans-62.6-36.3175.3-74.8-179.1-161.9107-2.2112.5L58 G82 E83 L88L58-R86 HydrophobicContact CD1-CB 4.27Å; L58-R86 HydrophobicContact CD1-CG 3.42Å; L58-R86 VanDerWaalsContact CD1-CG 3.42Å; G82-R86 WeakPolarHBondContact O-CB 3.43Å; G82-R86 VanDerWaalsContact O-CG 3.29Å; G82-R86 WeakPolarHBondContact O-CG 3.45Å; G82-R86 PolarHBondContact O-N 3.35Å; E83-R86 PolarHBondContact O-N 3.11Å; R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 3.22Å
87H97.9Very high98Very high79 Ų7955.8 Ų55.837%0.36626%0.261SS..Hα-helixtrans-63.4-35.5176.2179.382.3000112.5Q30 G31 W77 E83 H84 K85Q30-H87 PolarHBondContact O-NE2 2.87Å; G31-H87 WeakPolarHBondContact CA-O 3.32Å; W77-H87 HydrophobicContact CB-CB 3.78Å; W77-H87 VanDerWaalsContact CB-CD2 3.49Å; W77-H87 WeakPolarHBondContact CB-CD2 3.5Å; W77-H87 AromaticContact CD1-CD2 3.65Å; W77-H87 AromaticContact CD2-CD2 3.44Å; W77-H87 VanDerWaalsContact CD2-CD2 3.44Å; W77-H87 AromaticContact CD2-NE2 3.31Å; W77-H87 VanDerWaalsContact CD2-NE2 3.31Å; W77-H87 AromaticContact CE2-CD2 3.96Å; W77-H87 AromaticContact CE2-NE2 3.75Å; W77-H87 AromaticContact CE3-CD2 3.91Å; W77-H87 AromaticContact CE3-CE1 3.83Å; W77-H87 AromaticContact CE3-NE2 3.37Å; W77-H87 HydrophobicContact CG-CB 4.47Å; W77-H87 AromaticContact CG-CD2 3.25Å; W77-H87 AromaticContact CG-CG 3.92Å; W77-H87 AromaticContact CG-NE2 3.71Å; W77-H87 AromaticContact CZ3-NE2 3.85Å; E83-H87 PolarHBondContact O-N 3.16Å; H84-H87 PolarHBondContact O-N 3.21Å; K85-H87 VanDerWaalsContact C-N 3.29Å; K85-H87 PolarHBondContact O-N 2.71Å
88L97.4Very high98.1Very high9 Ų951.9 Ų51.95%0.04725%0.246CC..Hα-helixtrans-91.8-11.8-175.8-64.7175.3000113.9Q27 H29 H84 K85 R86Q27-L88 HydrophobicContact CB-CB 4.39Å; Q27-L88 HydrophobicContact CB-CD1 4.13Å; Q27-L88 HydrophobicContact CG-CB 4.47Å; H29-L88 PolarHBondContact CE1-O 2.85Å; H29-L88 VanDerWaalsContact CE1-O 3.26Å; H84-L88 WeakPolarHBondContact CE1-CD1 3.36Å; H84-L88 WeakPolarHBondContact O-CG 3.27Å; H84-L88 PolarHBondContact O-N 2.97Å; K85-L88 PolarHBondContact O-N 3.23Å; R86-L88 VanDerWaalsContact C-N 3.27Å; R86-L88 PolarHBondContact O-N 3.22Å
89E97.3Very high98.2Very high31 Ų3153.4 Ų53.415%0.14525%0.247CC..PPolyproline II helixtrans-86.8122.7-176.2-168.968.1-14400110.3K55 S56 K85K55-E89 WeakPolarHBondContact CD-OE1 3.33Å; K55-E89 IonicContact NZ-OE1 3.89Å; K55-E89 PolarHBondContact NZ-OE1 3.25Å; S56-E89 PolarHBondContact N-OE1 3.42Å; S56-E89 PolarHBondContact N-OE2 3.31Å; K85-E89 WeakPolarHBondContact O-CB 3.4Å; K85-E89 PolarHBondContact O-N 3.44Å
90F98.4Very high98.2Very high5 Ų551.9 Ų51.92%0.02224%0.24CC..PPolyproline II helixtrans-79.3147.8172.3-71.8-46000111.9H29 G31 L33 A36 F53 Q94 Y95 L98H29-F90 HydrophobicContact CB-CE2 4.4Å; H29-F90 HydrophobicContact CB-CZ 4.31Å; H29-F90 AromaticContact CD2-CE2 3.74Å; H29-F90 AromaticContact CE1-CD2 3.63Å; H29-F90 AromaticContact CE1-CE2 3.15Å; H29-F90 WeakPolarHBondContact CE1-CE2 3.45Å; H29-F90 AromaticContact CE1-CZ 3.47Å; H29-F90 VanDerWaalsContact CE1-CZ 3.47Å; H29-F90 WeakPolarHBondContact CE1-CZ 3.42Å; H29-F90 AromaticContact CG-CE2 3.56Å; H29-F90 AromaticContact CG-CZ 3.72Å; H29-F90 AromaticContact ND1-CE1 3.96Å; H29-F90 AromaticContact ND1-CE2 3.19Å; H29-F90 WeakPolarHBondContact ND1-CE2 3.35Å; H29-F90 AromaticContact ND1-CZ 3.1Å; H29-F90 WeakPolarHBondContact ND1-CZ 3.46Å; H29-F90 AromaticContact NE2-CD2 3.91Å; H29-F90 AromaticContact NE2-CE2 3.5Å; G31-F90 WeakPolarHBondContact O-CE1 3.47Å; L33-F90 HydrophobicContact CB-CE1 4.48Å; L33-F90 HydrophobicContact CD1-CE1 4.26Å; L33-F90 HydrophobicContact CD1-CZ 4.33Å; A36-F90 HydrophobicContact CB-CE2 3.89Å; A36-F90 HydrophobicContact CB-CZ 3.92Å; F53-F90 HydrophobicContact CE1-CE2 4.34Å; F90-Q94 HydrophobicContact CB-CB 3.91Å; F90-Q94 HydrophobicContact CD1-CB 4.28Å; F90-Q94 HydrophobicContact CG-CB 4.25Å; F90-Y95 HydrophobicContact CB-CD2 3.82Å; F90-Y95 HydrophobicContact CB-CE2 3.68Å; F90-L98 HydrophobicContact CD2-CD1 3.76Å; F90-L98 HydrophobicContact CE2-CD1 3.76Å
91S98.2Very high98.3Very high56 Ų5653 Ų5339%0.39224%0.242SC..PPolyproline II helixtrans-68.8163.3170.977.70000111.7D93 Q94 Y95S91-D93 VanDerWaalsContact C-N 3.25Å; S91-D93 PolarHBondContact O-N 3.49Å; S91-D93 PolarHBondContact OG-N 2.95Å; S91-Q94 WeakPolarHBondContact O-CB 3.44Å; S91-Q94 PolarHBondContact O-N 3Å; S91-Q94 WeakPolarHBondContact OG-CG 3.29Å; S91-Q94 PolarHBondContact OG-N 3.05Å; S91-Q94 PolarHBondContact OG-OE1 3.36Å; S91-Y95 WeakPolarHBondContact O-CD2 3.4Å; S91-Y95 PolarHBondContact O-N 2.63Å
92H98.6Very high98.3Very high64 Ų6451.1 Ų51.130%0.29623%0.234SC..Hα-helixtrans-57.6-38.7175.2-70-172.3000112.3E57 Y95 R96 F121E57-H92 IonicContact OE1-CD2 2.71Å; E57-H92 IonicContact OE1-CE1 2.63Å; E57-H92 IonicContact OE1-NE2 3.57Å; E57-H92 PolarHBondContact OE1-NE2 2.87Å; H92-Y95 WeakPolarHBondContact O-CB 3.09Å; H92-Y95 PolarHBondContact O-N 3.11Å; H92-R96 WeakPolarHBondContact O-CG 3.47Å; H92-R96 PolarHBondContact O-N 3.38Å; H92-F121 HydrophobicContact CB-CD2 4.01Å; H92-F121 HydrophobicContact CB-CE1 4.46Å; H92-F121 HydrophobicContact CB-CE2 3.41Å; H92-F121 VanDerWaalsContact CB-CE2 3.41Å; H92-F121 HydrophobicContact CB-CZ 3.68Å; H92-F121 AromaticContact CD2-CD1 3.9Å; H92-F121 AromaticContact CD2-CD2 3.82Å; H92-F121 AromaticContact CD2-CE2 3.97Å; H92-F121 AromaticContact CD2-CG 3.79Å; H92-F121 AromaticContact CE1-CD2 3.61Å; H92-F121 AromaticContact CE1-CG 3.73Å; H92-F121 AromaticContact CG-CD2 3.45Å; H92-F121 VanDerWaalsContact CG-CD2 3.45Å; H92-F121 AromaticContact CG-CE2 3.4Å; H92-F121 VanDerWaalsContact CG-CE2 3.4Å; H92-F121 AromaticContact CG-CG 3.92Å; H92-F121 AromaticContact CG-CZ 3.81Å; H92-F121 AromaticContact ND1-CD2 3.33Å; H92-F121 VanDerWaalsContact ND1-CD2 3.33Å; H92-F121 WeakPolarHBondContact ND1-CD2 3.47Å; H92-F121 AromaticContact ND1-CE2 3.7Å; H92-F121 AromaticContact ND1-CG 3.91Å; H92-F121 AromaticContact NE2-CD2 3.91Å; H92-F121 AromaticContact NE2-CG 3.67Å
93D98.7Very high98.4Very high112 Ų11254.7 Ų54.760%0.59926%0.264SS*.Hα-helixtrans-68.2-37.7178.1-66.7-25.6000112.4S91 Y95 R96 E97S91-D93 VanDerWaalsContact C-N 3.25Å; S91-D93 PolarHBondContact O-N 3.49Å; S91-D93 PolarHBondContact OG-N 2.95Å; D93-Y95 VanDerWaalsContact C-N 3.31Å; D93-Y95 PolarHBondContact O-N 2.63Å; D93-R96 PolarHBondContact O-N 3.32Å; D93-R96 IonicContact OD1-CZ 2.82Å; D93-R96 IonicContact OD1-NH1 3.15Å; D93-R96 PolarHBondContact OD1-NH1 3.48Å; D93-E97 PolarHBondContact O-N 3.18Å
94Q98.8Very high98.4Very high59 Ų5957 Ų5728%0.27628%0.275SS..Hα-helixtrans-64-38.5172.8-72.9175-55.300111.3L33 F90 S91 E97 L98L33-Q94 HydrophobicContact CD1-CB 3.98Å; L33-Q94 HydrophobicContact CD1-CG 4.21Å; L33-Q94 HydrophobicContact CD2-CG 4.43Å; F90-Q94 HydrophobicContact CB-CB 3.91Å; F90-Q94 HydrophobicContact CD1-CB 4.28Å; F90-Q94 HydrophobicContact CG-CB 4.25Å; S91-Q94 WeakPolarHBondContact O-CB 3.44Å; S91-Q94 PolarHBondContact O-N 3Å; S91-Q94 WeakPolarHBondContact OG-CG 3.29Å; S91-Q94 PolarHBondContact OG-N 3.05Å; S91-Q94 PolarHBondContact OG-OE1 3.36Å; Q94-E97 PolarHBondContact O-N 3.44Å; Q94-L98 VanDerWaalsContact O-CG 3.29Å; Q94-L98 WeakPolarHBondContact O-CG 3.28Å; Q94-L98 PolarHBondContact O-N 3.39Å
95Y98.8Very high98.4Very high1 Ų158.4 Ų58.40%0.00428%0.284CS..Hα-helixtrans-62.7-42.6172.8-93.7-82.6000112.8F53 Q54 K55 F90 S91 H92 D93 E97 L98 Q99 F109 A111 F121 L125F53-Y95 HydrophobicContact CB-CE1 3.91Å; Q54-Y95 PolarHBondContact O-OH 3.46Å; K55-Y95 HydrophobicContact CB-CE1 4.43Å; K55-Y95 HydrophobicContact CB-CE2 4.34Å; K55-Y95 HydrophobicContact CD-CD2 3.64Å; K55-Y95 HydrophobicContact CD-CE1 4.48Å; K55-Y95 HydrophobicContact CD-CE2 3.23Å; K55-Y95 HydrophobicContact CD-CG 4.42Å; K55-Y95 HydrophobicContact CG-CE2 4.36Å; K55-Y95 PolarHBondContact N-OH 2.94Å; F90-Y95 HydrophobicContact CB-CD2 3.82Å; F90-Y95 HydrophobicContact CB-CE2 3.68Å; S91-Y95 WeakPolarHBondContact O-CD2 3.4Å; S91-Y95 PolarHBondContact O-N 2.63Å; H92-Y95 WeakPolarHBondContact O-CB 3.09Å; H92-Y95 PolarHBondContact O-N 3.11Å; D93-Y95 VanDerWaalsContact C-N 3.31Å; D93-Y95 PolarHBondContact O-N 2.63Å; Y95-E97 VanDerWaalsContact C-N 3.32Å; Y95-E97 PolarHBondContact O-N 3Å; Y95-L98 PolarHBondContact O-N 2.82Å; Y95-Q99 WeakPolarHBondContact O-CB 3.43Å; Y95-Q99 PolarHBondContact O-N 2.71Å; Y95-F109 HydrophobicContact CD1-CE1 4.07Å; Y95-F109 AromaticContact CD1-CZ 3.74Å; Y95-F109 HydrophobicContact CD1-CZ 3.74Å; Y95-F109 HydrophobicContact CE1-CZ 4.14Å; Y95-A111 HydrophobicContact CE1-CB 4Å; Y95-F121 HydrophobicContact CD1-CE1 4.4Å; Y95-F121 HydrophobicContact CD2-CE1 4.18Å; Y95-F121 AromaticContact CG-CE1 3.82Å; Y95-F121 HydrophobicContact CG-CE1 3.82Å; Y95-F121 HydrophobicContact CG-CZ 4.33Å; Y95-L125 HydrophobicContact CD1-CD2 4.41Å
96R98.8Very high98.5Very high88 Ų8859.7 Ų59.733%0.33230%0.301SS..Hα-helixtrans-61.3-41.2173.6-68.9177.9-173.2108.43.2111.5H92 D93 Q99 K100 E124 L125H92-R96 WeakPolarHBondContact O-CG 3.47Å; H92-R96 PolarHBondContact O-N 3.38Å; D93-R96 PolarHBondContact O-N 3.32Å; D93-R96 IonicContact OD1-CZ 2.82Å; D93-R96 IonicContact OD1-NH1 3.15Å; D93-R96 PolarHBondContact OD1-NH1 3.48Å; R96-Q99 PolarHBondContact O-N 3.39Å; R96-K100 WeakPolarHBondContact O-CB 3.05Å; R96-K100 PolarHBondContact O-N 3.46Å; R96-E124 IonicContact CZ-OE1 2.77Å; R96-E124 IonicContact NH2-OE1 3.77Å; R96-E124 PolarHBondContact NH2-OE1 3.18Å; R96-L125 HydrophobicContact CB-CD1 4.33Å; R96-L125 HydrophobicContact CG-CD1 3.6Å
97E98.8Very high98.5Very high84 Ų8453.5 Ų53.539%0.39328%0.279SS..Hα-helixtrans-63.9-43.1176.1-172.5178.8153.900112.3L33 K37 D93 Q94 Y95 K100 Y101L33-E97 VanDerWaalsContact CD2-CD 3.5Å; L33-E97 WeakPolarHBondContact CD2-OE1 3.42Å; L33-E97 WeakPolarHBondContact CD2-OE2 3.3Å; K37-E97 VanDerWaalsContact CE-OE1 3.29Å; K37-E97 WeakPolarHBondContact CE-OE1 3.45Å; K37-E97 IonicContact NZ-OE1 2.82Å; K37-E97 PolarHBondContact NZ-OE1 3.49Å; D93-E97 PolarHBondContact O-N 3.18Å; Q94-E97 PolarHBondContact O-N 3.44Å; Y95-E97 VanDerWaalsContact C-N 3.32Å; Y95-E97 PolarHBondContact O-N 3Å; E97-K100 PolarHBondContact O-N 3.02Å; E97-Y101 WeakPolarHBondContact O-CB 3.42Å; E97-Y101 PolarHBondContact O-N 2.93Å
98L98.9Very high98.6Very high0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-67-40.6177.2-70.4170.9000112.3L33 A36 K37 I40 F53 F90 Q94 Y95 Y101 A102 F109L33-L98 HydrophobicContact CD1-CD1 3.94Å; L33-L98 HydrophobicContact CD1-CD2 3.75Å; L33-L98 HydrophobicContact CD1-CG 3.68Å; L33-L98 HydrophobicContact CG-CD2 4.49Å; A36-L98 HydrophobicContact CB-CD1 4.21Å; A36-L98 HydrophobicContact CB-CD2 3.67Å; K37-L98 HydrophobicContact CG-CD2 3.88Å; I40-L98 HydrophobicContact CD1-CB 4.17Å; I40-L98 HydrophobicContact CD1-CD2 3.8Å; F53-L98 HydrophobicContact CE1-CD1 4.07Å; F53-L98 HydrophobicContact CZ-CD1 4.15Å; F90-L98 HydrophobicContact CD2-CD1 3.76Å; F90-L98 HydrophobicContact CE2-CD1 3.76Å; Q94-L98 VanDerWaalsContact O-CG 3.29Å; Q94-L98 WeakPolarHBondContact O-CG 3.28Å; Q94-L98 PolarHBondContact O-N 3.39Å; Y95-L98 PolarHBondContact O-N 2.82Å; L98-Y101 PolarHBondContact O-N 3.3Å; L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.42Å; L98-F109 HydrophobicContact CB-CE2 3.68Å; L98-F109 HydrophobicContact CB-CZ 4.04Å
99Q98.8Very high98.6Very high55 Ų5552.8 Ų52.826%0.25728%0.275SS..Hα-helixtrans-61.3-46174.8-176.6-171.845.700111.2Y95 R96 Y101 A102 A103 F109 L125Y95-Q99 WeakPolarHBondContact O-CB 3.43Å; Y95-Q99 PolarHBondContact O-N 2.71Å; R96-Q99 PolarHBondContact O-N 3.39Å; Q99-Y101 VanDerWaalsContact C-N 3.33Å; Q99-Y101 PolarHBondContact O-N 2.91Å; Q99-A102 PolarHBondContact O-N 3.4Å; Q99-A103 PolarHBondContact O-N 3.02Å; Q99-F109 HydrophobicContact CB-CD1 3.77Å; Q99-F109 HydrophobicContact CB-CE1 4.05Å; Q99-F109 HydrophobicContact CB-CG 4.11Å; Q99-F109 HydrophobicContact CG-CB 4.33Å; Q99-F109 HydrophobicContact CG-CD1 3.95Å; Q99-F109 HydrophobicContact CG-CG 4.28Å; Q99-L125 HydrophobicContact CB-CD1 4.47Å; Q99-L125 PolarHBondContact NE2-O 2.93Å; Q99-L125 PolarHBondContact OE1-O 2.86Å
100K98.8Very high98.7Very high138 Ų13851.3 Ų51.360%0.627%0.268SS*.Hα-helixtrans-58.3-46.8175.8-179.1-179.2174.5-173.80111R96 E97 A102 A103 E104R96-K100 WeakPolarHBondContact O-CB 3.05Å; R96-K100 PolarHBondContact O-N 3.46Å; E97-K100 PolarHBondContact O-N 3.02Å; K100-A102 PolarHBondContact O-N 3.27Å; K100-A103 WeakPolarHBondContact O-CB 3.43Å; K100-A103 PolarHBondContact O-N 3.34Å; K100-E104 WeakPolarHBondContact CE-OE1 3.49Å; K100-E104 WeakPolarHBondContact O-CG 3.43Å; K100-E104 PolarHBondContact O-N 3.36Å
101Y98.9Very high98.7Very high50 Ų5051.1 Ų51.120%0.19627%0.267CS..Hα-helixtrans-62.9-40.4178.1-176.8-102.7000112.6K37 I40 E97 L98 Q99 A103 E104 V105K37-Y101 HydrophobicContact CB-CD1 3.81Å; K37-Y101 HydrophobicContact CB-CE1 3.63Å; K37-Y101 HydrophobicContact CB-CG 4.4Å; K37-Y101 HydrophobicContact CD-CD1 4.27Å; K37-Y101 HydrophobicContact CD-CD2 4.15Å; K37-Y101 HydrophobicContact CD-CE2 4.46Å; K37-Y101 HydrophobicContact CD-CG 4.03Å; K37-Y101 HydrophobicContact CG-CD1 3.67Å; K37-Y101 HydrophobicContact CG-CD2 4.44Å; K37-Y101 HydrophobicContact CG-CE1 4.03Å; K37-Y101 HydrophobicContact CG-CG 3.89Å; K37-Y101 VanDerWaalsContact O-CE1 3.25Å; K37-Y101 WeakPolarHBondContact O-CE1 3.43Å; I40-Y101 HydrophobicContact CB-CD1 4.22Å; I40-Y101 HydrophobicContact CB-CE1 4.24Å; I40-Y101 HydrophobicContact CD1-CD1 4.25Å; I40-Y101 HydrophobicContact CG2-CD1 3.97Å; I40-Y101 HydrophobicContact CG2-CE1 4.14Å; E97-Y101 WeakPolarHBondContact O-CB 3.42Å; E97-Y101 PolarHBondContact O-N 2.93Å; L98-Y101 PolarHBondContact O-N 3.3Å; Q99-Y101 VanDerWaalsContact C-N 3.33Å; Q99-Y101 PolarHBondContact O-N 2.91Å; Y101-A103 VanDerWaalsContact C-N 3.31Å; Y101-A103 PolarHBondContact O-N 2.9Å; Y101-E104 WeakPolarHBondContact O-CB 3.47Å; Y101-E104 PolarHBondContact O-N 3.22Å; Y101-V105 HydrophobicContact CE1-CG1 3.94Å; Y101-V105 HydrophobicContact CE2-CG1 4.15Å; Y101-V105 PolarHBondContact O-N 2.71Å
102A98.9Very high98.7Very high0 Ų048.6 Ų48.60%025%0.249CC..Hα-helixtrans-60.7-40174.800000112.2I40 L98 Q99 K100 V105 G106 I107 F109I40-A102 HydrophobicContact CG2-CB 3.99Å; L98-A102 WeakPolarHBondContact O-CB 3.45Å; L98-A102 PolarHBondContact O-N 3.42Å; Q99-A102 PolarHBondContact O-N 3.4Å; K100-A102 PolarHBondContact O-N 3.27Å; A102-V105 WeakPolarHBondContact O-CG2 3.06Å; A102-V105 PolarHBondContact O-N 3.23Å; A102-G106 PolarHBondContact O-N 3.47Å; A102-I107 CarbonylContact C-O 3.54Å; A102-I107 HydrophobicContact CB-CG2 3.95Å; A102-I107 PolarHBondContact O-N 2.82Å; A102-F109 HydrophobicContact CB-CB 3.72Å; A102-F109 HydrophobicContact CB-CD2 3.96Å; A102-F109 HydrophobicContact CB-CG 4.24Å
103A98.7Very high98.6Very high75 Ų7545.6 Ų45.662%0.6224%0.235SC*.Hα-helixtrans-64.7-41.9173.700000112.2Q99 K100 Y101 V105 G106Q99-A103 PolarHBondContact O-N 3.02Å; K100-A103 WeakPolarHBondContact O-CB 3.43Å; K100-A103 PolarHBondContact O-N 3.34Å; Y101-A103 VanDerWaalsContact C-N 3.31Å; Y101-A103 PolarHBondContact O-N 2.9Å; A103-V105 VanDerWaalsContact C-N 3.33Å; A103-V105 PolarHBondContact O-N 3.24Å; A103-G106 PolarHBondContact O-N 3.16Å; A103-G106 VanDerWaalsContact O-N 3.11Å
104E98.7Very high98.5Very high127 Ų12741.1 Ų41.159%0.59321%0.211SC*.Hα-helixtrans-60.2-39176.7-72.2170.3-176.900112.7K100 Y101K100-E104 WeakPolarHBondContact CE-OE1 3.49Å; K100-E104 WeakPolarHBondContact O-CG 3.43Å; K100-E104 PolarHBondContact O-N 3.36Å; Y101-E104 WeakPolarHBondContact O-CB 3.47Å; Y101-E104 PolarHBondContact O-N 3.22Å
105V98.5Very high98.4Very high36 Ų3638.7 Ų38.722%0.21820%0.2CC..Hα-helixtrans-85.5-8.7176.4-53.70000113.4I40 K44 Y101 A102 A103 I107I40-V105 HydrophobicContact CG2-CG2 3.83Å; K44-V105 HydrophobicContact CB-CG2 4.39Å; K44-V105 WeakPolarHBondContact CE-O 3.26Å; K44-V105 WeakPolarHBondContact CG-O 3.31Å; Y101-V105 HydrophobicContact CE1-CG1 3.94Å; Y101-V105 HydrophobicContact CE2-CG1 4.15Å; Y101-V105 PolarHBondContact O-N 2.71Å; A102-V105 WeakPolarHBondContact O-CG2 3.06Å; A102-V105 PolarHBondContact O-N 3.23Å; A103-V105 VanDerWaalsContact C-N 3.33Å; A103-V105 PolarHBondContact O-N 3.24Å; V105-I107 HydrophobicContact CG2-CG2 3.79Å
106G98.6Very high98.3Very high43 Ų4342.5 Ų42.544%0.44322%0.218SC..THydrogen-bonded Turntrans7644.3176.600000114.6K44 A102 A103K44-G106 WeakPolarHBondContact CD-O 3.35Å; K44-G106 VanDerWaalsContact CE-O 3.32Å; K44-G106 WeakPolarHBondContact CE-O 3.43Å; K44-G106 PolarHBondContact NZ-O 2.71Å; A102-G106 PolarHBondContact O-N 3.47Å; A103-G106 PolarHBondContact O-N 3.16Å; A103-G106 VanDerWaalsContact O-N 3.11Å
107I98.8Very high98.2Very high11 Ų1141.7 Ų41.76%0.05622%0.219CC..  trans-122.9146.2169.5-166.8170.4000110.4I40 A43 K44 A48 D49 A51 A102 V105I40-I107 HydrophobicContact CG2-CG2 3.74Å; A43-I107 HydrophobicContact CB-CD1 3.84Å; K44-I107 HydrophobicContact CB-CB 4.17Å; K44-I107 HydrophobicContact CB-CD1 4.25Å; K44-I107 HydrophobicContact CD-CB 4.19Å; A48-I107 HydrophobicContact CB-CD1 4.42Å; D49-I107 WeakPolarHBondContact O-CG1 3.25Å; A51-I107 HydrophobicContact CB-CD1 4.13Å; A51-I107 HydrophobicContact CB-CG2 4.44Å; A102-I107 CarbonylContact C-O 3.54Å; A102-I107 HydrophobicContact CB-CG2 3.95Å; A102-I107 PolarHBondContact O-N 2.82Å; V105-I107 HydrophobicContact CG2-CG2 3.79Å
108F98.9Very high98.2Very high65 Ų6537.7 Ų37.729%0.28520%0.2SC..EExtended strand (participates in β ladder)trans-66.8147.7173.1-65.9-63.9000110.9C8 R11 F20 D49 C50 A51C8-F108 HydrophobicContact CB-CD1 3.72Å; C8-F108 HydrophobicContact CB-CD2 3.71Å; C8-F108 HydrophobicContact CB-CE1 3.56Å; C8-F108 HydrophobicContact CB-CE2 3.55Å; C8-F108 HydrophobicContact CB-CG 3.8Å; C8-F108 HydrophobicContact CB-CZ 3.48Å; C8-F108 VanDerWaalsContact CB-CZ 3.48Å; R11-F108 HydrophobicContact CB-CE2 3.95Å; R11-F108 HydrophobicContact CB-CZ 4.38Å; R11-F108 HydrophobicContact CG-CE2 4.39Å; F20-F108 HydrophobicContact CE2-CD2 4.28Å; F20-F108 HydrophobicContact CZ-CD2 4.29Å; D49-F108 WeakPolarHBondContact O-CB 3.44Å; D49-F108 WeakPolarHBondContact O-CD2 3.35Å; D49-F108 PolarHBondContact O-N 2.99Å; C50-F108 CarbonylContact C-O 3.58Å; C50-F108 WeakPolarHBondContact CA-O 3.41Å; C50-F108 HydrophobicContact CB-CB 4.11Å; C50-F108 PolarHBondContact SG-O 2.8Å; A51-F108 PolarHBondContact N-O 3.12Å
109F98.8Very high98.1Very high9 Ų937.8 Ų37.84%0.03920%0.201CC..EExtended strand (participates in β ladder)trans-123.8133.8-178.8179.9-87.6000110.1I40 F53 Y95 L98 Q99 A102 L125 P128I40-F109 HydrophobicContact CD1-CE2 4.49Å; F53-F109 HydrophobicContact CD2-CD2 4.17Å; F53-F109 AromaticContact CD2-CE2 3.4Å; F53-F109 HydrophobicContact CD2-CE2 3.4Å; F53-F109 VanDerWaalsContact CD2-CE2 3.4Å; F53-F109 AromaticContact CD2-CZ 3.88Å; F53-F109 HydrophobicContact CD2-CZ 3.88Å; F53-F109 HydrophobicContact CE2-CD2 4.04Å; F53-F109 AromaticContact CE2-CE2 3.4Å; F53-F109 HydrophobicContact CE2-CE2 3.4Å; F53-F109 VanDerWaalsContact CE2-CE2 3.4Å; F53-F109 HydrophobicContact CE2-CZ 4.29Å; F53-F109 HydrophobicContact CG-CE2 4.42Å; F53-F109 HydrophobicContact CZ-CE2 4.4Å; Y95-F109 HydrophobicContact CD1-CE1 4.07Å; Y95-F109 AromaticContact CD1-CZ 3.74Å; Y95-F109 HydrophobicContact CD1-CZ 3.74Å; Y95-F109 HydrophobicContact CE1-CZ 4.14Å; L98-F109 HydrophobicContact CB-CE2 3.68Å; L98-F109 HydrophobicContact CB-CZ 4.04Å; Q99-F109 HydrophobicContact CB-CD1 3.77Å; Q99-F109 HydrophobicContact CB-CE1 4.05Å; Q99-F109 HydrophobicContact CB-CG 4.11Å; Q99-F109 HydrophobicContact CG-CB 4.33Å; Q99-F109 HydrophobicContact CG-CD1 3.95Å; Q99-F109 HydrophobicContact CG-CG 4.28Å; A102-F109 HydrophobicContact CB-CB 3.72Å; A102-F109 HydrophobicContact CB-CD2 3.96Å; A102-F109 HydrophobicContact CB-CG 4.24Å; F109-L125 HydrophobicContact CE1-CD2 3.97Å; F109-P128 WeakPolarHBondContact O-CD 3.47Å
110T98.7Very high98.1Very high0 Ų038.7 Ų38.70%021%0.205CC..EExtended strand (participates in β ladder)trans-153178170.7-166.30000110.9A51 K52 F53 F129A51-T110 PolarHBondContact O-N 3.02Å; K52-T110 WeakPolarHBondContact CA-O 3.19Å; K52-T110 HydrophobicContact CB-CG2 3.98Å; K52-T110 HydrophobicContact CD-CG2 3.94Å; K52-T110 HydrophobicContact CG-CG2 3.7Å; F53-T110 PolarHBondContact N-O 3.12Å; T110-F129 HydrophobicContact CG2-CE1 4.1Å; T110-F129 HydrophobicContact CG2-CE2 3.78Å; T110-F129 HydrophobicContact CG2-CZ 3.55Å; T110-F129 PolarHBondContact OG1-O 2.76Å
111A98.5Very high98.1Very high0 Ų032.4 Ų32.40%018%0.178CC..EExtended strand (participates in β ladder)trans-143.2159.2167.400000111.6F53 K55 Y95 L122F53-A111 HydrophobicContact CB-CB 4.04Å; F53-A111 CarbonylContact O-C 3.44Å; F53-A111 WeakPolarHBondContact O-CA 3.46Å; F53-A111 WeakPolarHBondContact O-CB 3.36Å; K55-A111 HydrophobicContact CB-CB 4.27Å; Y95-A111 HydrophobicContact CE1-CB 4Å; A111-L122 HydrophobicContact CB-CD1 4.09Å; A111-L122 HydrophobicContact CB-CD2 3.75Å; A111-L122 WeakPolarHBondContact O-CD1 3.47Å
112S97.9Very high98.1Very high3 Ų330 Ų302%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-74.5118.9162.1-57.30000109.3K52 F53 K55 M114 K131K52-S112 PolarHBondContact NZ-OG 3.4Å; F53-S112 PolarHBondContact O-N 3.28Å; K55-S112 PolarHBondContact N-O 3.31Å; S112-M114 PolarHBondContact O-N 2.72Å; S112-K131 WeakPolarHBondContact CA-O 3.4Å; S112-K131 VanDerWaalsContact OG-CG 3.22Å; S112-K131 WeakPolarHBondContact OG-CG 3.15Å
113G97.1Very high98.1Very high1 Ų133.1 Ų33.11%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-82.1107.1171.700000110.1D115 Y142G113-D115 VanDerWaalsContact C-N 3.28Å; G113-D115 PolarHBondContact O-N 2.82Å; G113-Y142 PolarHBondContact O-OH 2.87Å
114M96.1Very high98Very high19 Ų1935.6 Ų35.69%0.09418%0.181CC..  trans-91.314.3-170.3-62.5-83-171.800113.9Q54 K55 S56 R61 S112Q54-M114 HydrophobicContact CB-CE 4.12Å; Q54-M114 HydrophobicContact CG-CE 3.61Å; K55-M114 WeakPolarHBondContact O-CB 3.42Å; K55-M114 PolarHBondContact O-N 3.36Å; S56-M114 WeakPolarHBondContact OG-CB 3.28Å; R61-M114 WeakPolarHBondContact CD-O 3.39Å; R61-M114 WeakPolarHBondContact CG-O 3.11Å; S112-M114 PolarHBondContact O-N 2.72Å
115D96.6Very high98Very high8 Ų830 Ų304%0.04316%0.155CC..SBendtrans-169171.2171.559.587.6000108.9S56 E57 R61 G113 M117 A118 V119S56-D115 VanDerWaalsContact CA-OD2 3.27Å; S56-D115 WeakPolarHBondContact CA-OD2 3.44Å; E57-D115 PolarHBondContact N-OD2 2.96Å; R61-D115 HydrophobicContact CB-CB 4.19Å; G113-D115 VanDerWaalsContact C-N 3.28Å; G113-D115 PolarHBondContact O-N 2.82Å; D115-M117 PolarHBondContact O-N 3.01Å; D115-M117 WeakPolarHBondContact OD1-CA 3.27Å; D115-M117 WeakPolarHBondContact OD1-CB 3.38Å; D115-M117 PolarHBondContact OD1-N 3.02Å; D115-A118 PolarHBondContact O-N 3.46Å; D115-A118 PolarHBondContact OD1-N 3.19Å; D115-V119 PolarHBondContact O-N 3.33Å; D115-V119 VanDerWaalsContact O-N 3.16Å
116E95.6Very high98Very high80 Ų8033.1 Ų33.137%0.37417%0.171SC..Hα-helixtrans-60.9-41-177.8-176175.5169.400112.8V119 E120 K145E116-V119 PolarHBondContact O-N 3.33Å; E116-V119 VanDerWaalsContact O-N 3.15Å; E116-E120 PolarHBondContact O-N 2.91Å; E116-K145 HydrophobicContact CG-CD 4.33Å; E116-K145 WeakPolarHBondContact OE1-CD 3.27Å; E116-K145 WeakPolarHBondContact OE1-CE 3.37Å; E116-K145 IonicContact OE1-NZ 3.99Å; E116-K145 PolarHBondContact OE1-NZ 3.21Å; E116-K145 IonicContact OE2-NZ 2.7Å; E116-K145 PolarHBondContact OE2-NZ 3.39Å
117M97.6Very high98Very high72 Ų7231.1 Ų31.136%0.35515%0.15SC..Hα-helixtrans-71.8-34.4-177.5-62.5-52.3-53.700111.8E57 Y60 D115 V119 E120 F121E57-M117 HydrophobicContact CB-CB 4.02Å; E57-M117 HydrophobicContact CG-CB 3.62Å; Y60-M117 HydrophobicContact CD1-CG 3.64Å; Y60-M117 HydrophobicContact CD2-CB 4.13Å; Y60-M117 HydrophobicContact CD2-CG 3.68Å; Y60-M117 HydrophobicContact CE1-CG 3.66Å; Y60-M117 HydrophobicContact CE1-SD 4.35Å; Y60-M117 HydrophobicContact CE2-CB 4.36Å; Y60-M117 HydrophobicContact CE2-CG 3.7Å; Y60-M117 HydrophobicContact CG-CB 4.33Å; Y60-M117 HydrophobicContact CG-CG 3.64Å; D115-M117 PolarHBondContact O-N 3.01Å; D115-M117 WeakPolarHBondContact OD1-CA 3.27Å; D115-M117 WeakPolarHBondContact OD1-CB 3.38Å; D115-M117 PolarHBondContact OD1-N 3.02Å; M117-V119 VanDerWaalsContact C-N 3.31Å; M117-V119 PolarHBondContact O-N 3.18Å; M117-E120 PolarHBondContact O-N 2.82Å; M117-F121 PolarHBondContact O-N 2.85Å
118A97.9Very high98Very high0 Ų031.7 Ų31.70%016%0.155CC..Hα-helixtrans-60.9-40.1169.600000111.7K55 D115 F121 L122K55-A118 HydrophobicContact CB-CB 4.19Å; K55-A118 HydrophobicContact CG-CB 3.72Å; K55-A118 VanDerWaalsContact O-CB 3.32Å; K55-A118 WeakPolarHBondContact O-CB 3.15Å; D115-A118 PolarHBondContact O-N 3.46Å; D115-A118 PolarHBondContact OD1-N 3.19Å; A118-F121 PolarHBondContact O-N 2.97Å; A118-L122 WeakPolarHBondContact O-CB 3.41Å; A118-L122 WeakPolarHBondContact O-CG 3.46Å; A118-L122 PolarHBondContact O-N 2.99Å
119V98.2Very high98Very high2 Ų228.6 Ų28.61%0.01214%0.141CC..Hα-helixtrans-67.9-38.6175.7174.80000111.9D115 E116 M117 L122 H123 F130 Y142 T146 K149D115-V119 PolarHBondContact O-N 3.33Å; D115-V119 VanDerWaalsContact O-N 3.16Å; E116-V119 PolarHBondContact O-N 3.33Å; E116-V119 VanDerWaalsContact O-N 3.15Å; M117-V119 VanDerWaalsContact C-N 3.31Å; M117-V119 PolarHBondContact O-N 3.18Å; V119-L122 PolarHBondContact O-N 2.78Å; V119-H123 WeakPolarHBondContact O-CB 3.34Å; V119-H123 PolarHBondContact O-N 2.92Å; V119-F130 HydrophobicContact CG1-CD1 4.18Å; V119-F130 HydrophobicContact CG1-CE1 3.95Å; V119-F130 HydrophobicContact CG1-CZ 4.2Å; V119-Y142 HydrophobicContact CB-CE2 4.48Å; V119-Y142 HydrophobicContact CG2-CD2 4.43Å; V119-Y142 HydrophobicContact CG2-CE2 3.39Å; V119-Y142 WeakPolarHBondContact CG2-OH 3.31Å; V119-T146 HydrophobicContact CG1-CG2 3.99Å; V119-K149 HydrophobicContact CG1-CD 3.91Å
120E98.3Very high98Very high74 Ų7428.2 Ų28.235%0.34614%0.139SC..Hα-helixtrans-57.9-48.6172.4-67.6-52.3138.100111.3E116 M117 L122 H123 E124 K149E116-E120 PolarHBondContact O-N 2.91Å; M117-E120 PolarHBondContact O-N 2.82Å; E120-L122 PolarHBondContact O-N 3.29Å; E120-H123 WeakPolarHBondContact O-CB 3.4Å; E120-H123 PolarHBondContact O-N 2.8Å; E120-E124 PolarHBondContact O-N 3.37Å; E120-K149 WeakPolarHBondContact OE1-CE 3.19Å; E120-K149 IonicContact OE1-NZ 3.67Å; E120-K149 PolarHBondContact OE1-NZ 3.22Å; E120-K149 IonicContact OE2-NZ 2.89Å; E120-K149 PolarHBondContact OE2-NZ 2.98Å
121F98.6Very high98Very high5 Ų528.3 Ų28.32%0.02214%0.14CC..Hα-helixtrans-61-44.3176.2170.5-112.3000112.3K55 H92 Y95 M117 A118 H123 E124 L125K55-F121 HydrophobicContact CD-CD1 3.96Å; K55-F121 HydrophobicContact CD-CE1 4.15Å; K55-F121 HydrophobicContact CG-CD1 4.08Å; H92-F121 HydrophobicContact CB-CD2 4.01Å; H92-F121 HydrophobicContact CB-CE1 4.46Å; H92-F121 HydrophobicContact CB-CE2 3.41Å; H92-F121 VanDerWaalsContact CB-CE2 3.41Å; H92-F121 HydrophobicContact CB-CZ 3.68Å; H92-F121 AromaticContact CD2-CD1 3.9Å; H92-F121 AromaticContact CD2-CD2 3.82Å; H92-F121 AromaticContact CD2-CE2 3.97Å; H92-F121 AromaticContact CD2-CG 3.79Å; H92-F121 AromaticContact CE1-CD2 3.61Å; H92-F121 AromaticContact CE1-CG 3.73Å; H92-F121 AromaticContact CG-CD2 3.45Å; H92-F121 VanDerWaalsContact CG-CD2 3.45Å; H92-F121 AromaticContact CG-CE2 3.4Å; H92-F121 VanDerWaalsContact CG-CE2 3.4Å; H92-F121 AromaticContact CG-CG 3.92Å; H92-F121 AromaticContact CG-CZ 3.81Å; H92-F121 AromaticContact ND1-CD2 3.33Å; H92-F121 VanDerWaalsContact ND1-CD2 3.33Å; H92-F121 WeakPolarHBondContact ND1-CD2 3.47Å; H92-F121 AromaticContact ND1-CE2 3.7Å; H92-F121 AromaticContact ND1-CG 3.91Å; H92-F121 AromaticContact NE2-CD2 3.91Å; H92-F121 AromaticContact NE2-CG 3.67Å; Y95-F121 HydrophobicContact CD1-CE1 4.4Å; Y95-F121 HydrophobicContact CD2-CE1 4.18Å; Y95-F121 AromaticContact CG-CE1 3.82Å; Y95-F121 HydrophobicContact CG-CE1 3.82Å; Y95-F121 HydrophobicContact CG-CZ 4.33Å; M117-F121 PolarHBondContact O-N 2.85Å; A118-F121 PolarHBondContact O-N 2.97Å; F121-H123 PolarHBondContact O-N 3.49Å; F121-E124 WeakPolarHBondContact O-CB 3.36Å; F121-E124 PolarHBondContact O-N 3.11Å; F121-L125 HydrophobicContact CE1-CD2 4.05Å; F121-L125 HydrophobicContact CZ-CB 4.43Å; F121-L125 HydrophobicContact CZ-CD1 4.32Å; F121-L125 HydrophobicContact CZ-CD2 4.05Å; F121-L125 WeakPolarHBondContact O-CB 3.39Å; F121-L125 PolarHBondContact O-N 3.32Å
122L98.6Very high98Very high0 Ų028.3 Ų28.30%014%0.14CC..Hα-helixtrans-64.9-30.3178.1-68.7171.7000112.5K55 A111 A118 V119 E120 L125 D126 V127 F130K55-L122 HydrophobicContact CB-CD1 4.4Å; A111-L122 HydrophobicContact CB-CD1 4.09Å; A111-L122 HydrophobicContact CB-CD2 3.75Å; A111-L122 WeakPolarHBondContact O-CD1 3.47Å; A118-L122 WeakPolarHBondContact O-CB 3.41Å; A118-L122 WeakPolarHBondContact O-CG 3.46Å; A118-L122 PolarHBondContact O-N 2.99Å; V119-L122 PolarHBondContact O-N 2.78Å; E120-L122 PolarHBondContact O-N 3.29Å; L122-L125 HydrophobicContact CD2-CD2 4.26Å; L122-D126 PolarHBondContact O-N 2.94Å; L122-V127 HydrophobicContact CB-CG1 4.43Å; L122-V127 HydrophobicContact CB-CG2 4.07Å; L122-V127 HydrophobicContact CD2-CG1 4.01Å; L122-V127 WeakPolarHBondContact O-CG2 3.45Å; L122-V127 PolarHBondContact O-N 2.78Å; L122-F130 HydrophobicContact CB-CD1 4.36Å; L122-F130 HydrophobicContact CB-CE1 3.97Å
123H98.4Very high98Very high65 Ų6528.7 Ų28.730%0.30114%0.144SC..Hα-helixtrans-67.8-43.8172.8-17067.6000111.9V119 E120 F121 L125 D126 F130 K149 R151V119-H123 WeakPolarHBondContact O-CB 3.34Å; V119-H123 PolarHBondContact O-N 2.92Å; E120-H123 WeakPolarHBondContact O-CB 3.4Å; E120-H123 PolarHBondContact O-N 2.8Å; F121-H123 PolarHBondContact O-N 3.49Å; H123-L125 VanDerWaalsContact C-N 3.32Å; H123-D126 PolarHBondContact O-N 2.69Å; H123-D126 VanDerWaalsContact O-N 3.12Å; H123-F130 HydrophobicContact CB-CE1 4.32Å; H123-F130 HydrophobicContact CB-CZ 3.83Å; H123-F130 AromaticContact ND1-CZ 3.75Å; H123-K149 HydrophobicContact CB-CD 3.95Å; H123-R151 PolarHBondContact ND1-NE 2.85Å
124E98.4Very high98Very high128 Ų12829.2 Ų29.260%0.59815%0.148SC*.Hα-helixtrans-61.8-40.6173.3-173.2-161.4131.700111.4R96 E120 F121 D126R96-E124 IonicContact CZ-OE1 2.77Å; R96-E124 IonicContact NH2-OE1 3.77Å; R96-E124 PolarHBondContact NH2-OE1 3.18Å; E120-E124 PolarHBondContact O-N 3.37Å; F121-E124 WeakPolarHBondContact O-CB 3.36Å; F121-E124 PolarHBondContact O-N 3.11Å; E124-D126 PolarHBondContact O-N 2.69Å; E124-D126 VanDerWaalsContact O-N 3.12Å
125L98.4Very high98Very high8 Ų830.7 Ų30.74%0.04217%0.168CC..THydrogen-bonded Turntrans-66.7-7.5175.9-167.662.9000112.6Y95 R96 Q99 F109 F121 L122 H123 V127Y95-L125 HydrophobicContact CD1-CD2 4.41Å; R96-L125 HydrophobicContact CB-CD1 4.33Å; R96-L125 HydrophobicContact CG-CD1 3.6Å; Q99-L125 HydrophobicContact CB-CD1 4.47Å; Q99-L125 PolarHBondContact NE2-O 2.93Å; Q99-L125 PolarHBondContact OE1-O 2.86Å; F109-L125 HydrophobicContact CE1-CD2 3.97Å; F121-L125 HydrophobicContact CE1-CD2 4.05Å; F121-L125 HydrophobicContact CZ-CB 4.43Å; F121-L125 HydrophobicContact CZ-CD1 4.32Å; F121-L125 HydrophobicContact CZ-CD2 4.05Å; F121-L125 WeakPolarHBondContact O-CB 3.39Å; F121-L125 PolarHBondContact O-N 3.32Å; L122-L125 HydrophobicContact CD2-CD2 4.26Å; H123-L125 VanDerWaalsContact C-N 3.32Å; L125-V127 HydrophobicContact CB-CG1 4.42Å; L125-V127 HydrophobicContact CD2-CG1 4.19Å; L125-V127 HydrophobicContact CG-CG1 4.37Å; L125-V127 PolarHBondContact O-N 3.33Å
126D98.3Very high98Very high103 Ų10331.3 Ų31.355%0.55117%0.171SC*.THydrogen-bonded Turntrans60.239.7177.8-166.431.8000113.5L122 H123 E124 R151L122-D126 PolarHBondContact O-N 2.94Å; H123-D126 PolarHBondContact O-N 2.69Å; H123-D126 VanDerWaalsContact O-N 3.12Å; E124-D126 PolarHBondContact O-N 2.69Å; E124-D126 VanDerWaalsContact O-N 3.12Å; D126-R151 IonicContact OD1-CZ 2.69Å; D126-R151 IonicContact OD1-NH1 3.81Å; D126-R151 PolarHBondContact OD1-NH1 2.86Å; D126-R151 IonicContact OD1-NH2 2.63Å; D126-R151 PolarHBondContact OD1-NH2 2.81Å
127V98.7Very high98.1Very high0 Ų027.5 Ų27.50%015%0.153CC..  trans-63.2146.1174.9-59.10000111L122 L125 F129 F130 R151L122-V127 HydrophobicContact CB-CG1 4.43Å; L122-V127 HydrophobicContact CB-CG2 4.07Å; L122-V127 HydrophobicContact CD2-CG1 4.01Å; L122-V127 WeakPolarHBondContact O-CG2 3.45Å; L122-V127 PolarHBondContact O-N 2.78Å; L125-V127 HydrophobicContact CB-CG1 4.42Å; L125-V127 HydrophobicContact CD2-CG1 4.19Å; L125-V127 HydrophobicContact CG-CG1 4.37Å; L125-V127 PolarHBondContact O-N 3.33Å; V127-F129 VanDerWaalsContact C-N 3.27Å; V127-F129 WeakPolarHBondContact CG2-O 3.36Å; V127-F129 PolarHBondContact O-N 2.63Å; V127-F130 HydrophobicContact CG2-CD1 4.14Å; V127-F130 HydrophobicContact CG2-CE1 4.08Å; V127-R151 WeakPolarHBondContact O-CD 3.32Å; V127-R151 PolarHBondContact O-NH1 3.21Å
128P98.4Very high98.1Very high24 Ų2428 Ų2816%0.15616%0.158CC..SBendtrans-67-28.6-174.225.3-33.2000113C8 F109 P152C8-P128 HydrophobicContact CB-CB 4.03Å; F109-P128 WeakPolarHBondContact O-CD 3.47Å; P128-P152 WeakPolarHBondContact O-CD 3.44Å
129F98.8Very high98Very high0 Ų031 Ų310%017%0.173CC..SBendtrans-154157.4177.765.9-92.2000111.1L7 F20 I22 T110 V127 K131 P152 V154L7-F129 HydrophobicContact CD1-CB 3.69Å; L7-F129 HydrophobicContact CD1-CD1 3.86Å; L7-F129 HydrophobicContact CD1-CD2 4.16Å; L7-F129 HydrophobicContact CD1-CE1 4.49Å; L7-F129 HydrophobicContact CD1-CG 3.65Å; L7-F129 HydrophobicContact CD2-CD1 4.35Å; L7-F129 HydrophobicContact CD2-CE1 4.22Å; L7-F129 HydrophobicContact CD2-CZ 4.46Å; L7-F129 HydrophobicContact CG-CB 4.46Å; L7-F129 HydrophobicContact CG-CD1 3.76Å; L7-F129 HydrophobicContact CG-CE1 4.1Å; L7-F129 HydrophobicContact CG-CG 4.11Å; F20-F129 HydrophobicContact CE1-CE1 4.21Å; F20-F129 HydrophobicContact CE1-CZ 4.37Å; F20-F129 HydrophobicContact CZ-CE1 4.25Å; I22-F129 HydrophobicContact CD1-CE2 4.23Å; I22-F129 HydrophobicContact CD1-CZ 3.98Å; I22-F129 HydrophobicContact CG1-CZ 4.45Å; T110-F129 HydrophobicContact CG2-CE1 4.1Å; T110-F129 HydrophobicContact CG2-CE2 3.78Å; T110-F129 HydrophobicContact CG2-CZ 3.55Å; T110-F129 PolarHBondContact OG1-O 2.76Å; V127-F129 VanDerWaalsContact C-N 3.27Å; V127-F129 WeakPolarHBondContact CG2-O 3.36Å; V127-F129 PolarHBondContact O-N 2.63Å; F129-K131 HydrophobicContact CE2-CB 4.48Å; F129-P152 CarbonylContact C-O 3.45Å; F129-P152 VanDerWaalsContact CA-O 3.24Å; F129-P152 WeakPolarHBondContact CA-O 3.5Å; F129-P152 HydrophobicContact CB-CB 3.91Å; F129-P152 VanDerWaalsContact CB-O 3.29Å; F129-P152 WeakPolarHBondContact CB-O 3.38Å; F129-V154 HydrophobicContact CD2-CB 4.17Å; F129-V154 HydrophobicContact CD2-CG2 3.52Å; F129-V154 HydrophobicContact CE2-CB 4.17Å; F129-V154 HydrophobicContact CE2-CG2 3.63Å; F129-V154 HydrophobicContact CG-CG2 4.3Å; F129-V154 HydrophobicContact CZ-CG2 4.49Å
130F98.8Very high98.1Very high1 Ų132.9 Ų32.90%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-92125.6172.3-63.8-61.1000111.3V119 L122 H123 V127 T146 K149 R151 P152 M153 V154V119-F130 HydrophobicContact CG1-CD1 4.18Å; V119-F130 HydrophobicContact CG1-CE1 3.95Å; V119-F130 HydrophobicContact CG1-CZ 4.2Å; L122-F130 HydrophobicContact CB-CD1 4.36Å; L122-F130 HydrophobicContact CB-CE1 3.97Å; H123-F130 HydrophobicContact CB-CE1 4.32Å; H123-F130 HydrophobicContact CB-CZ 3.83Å; H123-F130 AromaticContact ND1-CZ 3.75Å; V127-F130 HydrophobicContact CG2-CD1 4.14Å; V127-F130 HydrophobicContact CG2-CE1 4.08Å; F130-T146 HydrophobicContact CB-CG2 3.84Å; F130-T146 HydrophobicContact CD2-CG2 3.62Å; F130-T146 HydrophobicContact CE2-CG2 4.33Å; F130-T146 HydrophobicContact CG-CG2 3.77Å; F130-K149 HydrophobicContact CE2-CB 3.77Å; F130-K149 HydrophobicContact CE2-CD 3.83Å; F130-K149 HydrophobicContact CE2-CG 4.42Å; F130-K149 HydrophobicContact CZ-CB 4.32Å; F130-K149 HydrophobicContact CZ-CD 3.69Å; F130-R151 HydrophobicContact CD2-CB 3.98Å; F130-R151 HydrophobicContact CE2-CB 3.75Å; F130-R151 HydrophobicContact CE2-CG 4.08Å; F130-P152 PolarHBondContact N-O 3.16Å; F130-M153 HydrophobicContact CB-CG 4.42Å; F130-M153 CarbonylContact O-C 3.48Å; F130-M153 WeakPolarHBondContact O-CA 3.33Å; F130-V154 PolarHBondContact O-N 3.49Å
131K98.7Very high98Very high1 Ų133.1 Ų33.10%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-88.4126.3165-177.879.6-169.280.70109.5K52 S112 F129 V154 S156 E236K52-K131 HydrophobicContact CD-CB 3.73Å; K52-K131 HydrophobicContact CD-CD 4.08Å; K52-K131 HydrophobicContact CD-CG 3.67Å; S112-K131 WeakPolarHBondContact CA-O 3.4Å; S112-K131 VanDerWaalsContact OG-CG 3.22Å; S112-K131 WeakPolarHBondContact OG-CG 3.15Å; F129-K131 HydrophobicContact CE2-CB 4.48Å; K131-V154 WeakPolarHBondContact CA-O 3.5Å; K131-V154 HydrophobicContact CD-CB 3.88Å; K131-V154 HydrophobicContact CD-CG1 3.68Å; K131-V154 WeakPolarHBondContact CD-O 3.33Å; K131-V154 PolarHBondContact NZ-O 3.46Å; K131-S156 WeakPolarHBondContact CE-OG 3.42Å; K131-S156 PolarHBondContact NZ-OG 3.41Å; K131-E236 WeakPolarHBondContact CD-OE2 3.49Å; K131-E236 VanDerWaalsContact CE-CD 3.48Å; K131-E236 WeakPolarHBondContact CE-OE1 3.45Å; K131-E236 WeakPolarHBondContact CE-OE2 3.36Å
132V98.6Very high98Very high0 Ų033.2 Ų33.20%019%0.19CC..EExtended strand (participates in β ladder)trans-101.7117.4169-178.80000108.9D136 Y142 L143 M153 V154 V155 S156V132-D136 HydrophobicContact CG1-CB 4.08Å; V132-Y142 HydrophobicContact CB-CE1 4.4Å; V132-Y142 HydrophobicContact CG1-CE1 3.78Å; V132-Y142 HydrophobicContact CG2-CE1 3.87Å; V132-L143 HydrophobicContact CG1-CD2 3.98Å; V132-L143 HydrophobicContact CG2-CD2 4.14Å; V132-M153 HydrophobicContact CG2-CE 3.83Å; V132-V154 PolarHBondContact N-O 3.22Å; V132-V155 HydrophobicContact CB-CB 4.43Å; V132-V155 HydrophobicContact CB-CG1 4.18Å; V132-V155 HydrophobicContact CB-CG2 4.23Å; V132-V155 HydrophobicContact CG1-CG1 4.31Å; V132-V155 HydrophobicContact CG2-CG2 4.21Å; V132-S156 PolarHBondContact O-N 3.41Å; V132-S156 VanDerWaalsContact O-N 3.1Å
133G97.4Very high98Very high11 Ų1133.2 Ų33.211%0.11319%0.19CC..PPolyproline II helixtrans-73.3153.7176.100000111.7G135 D136 T137G133-G135 PolarHBondContact O-N 2.92Å; G133-D136 PolarHBondContact O-N 3.49Å; G133-T137 PolarHBondContact O-N 2.97Å; G133-T137 PolarHBondContact O-OG1 2.81Å
134S97.4Very high98Very high12 Ų1233.6 Ų33.68%0.08419%0.192CC..THydrogen-bonded Turntrans-53.4-27.2-179-62.40000114.7D136 T137 S156 G158 Q160 C184 S186S134-D136 VanDerWaalsContact C-N 3.32Å; S134-T137 WeakPolarHBondContact CA-OG1 3.43Å; S134-S156 VanDerWaalsContact OG-CB 3.24Å; S134-S156 WeakPolarHBondContact OG-CB 3.42Å; S134-G158 WeakPolarHBondContact CB-O 3.4Å; S134-G158 WeakPolarHBondContact OG-CA 3.42Å; S134-G158 PolarHBondContact OG-N 2.99Å; S134-G158 VanDerWaalsContact OG-N 3.09Å; S134-Q160 PolarHBondContact O-NE2 3.46Å; S134-Q160 VanDerWaalsContact O-NE2 3.09Å; S134-C184 PolarHBondContact OG-SG 3.2Å; S134-S186 WeakPolarHBondContact CB-OG 3.29Å
135G96Very high98Very high50 Ų5031.9 Ų31.952%0.51518%0.182SC..THydrogen-bonded Turntrans-71-23.3177.100000114.5G133G133-G135 PolarHBondContact O-N 2.92Å
136D96.7Very high98Very high21 Ų2131.7 Ų31.711%0.11218%0.181CC..THydrogen-bonded Turntrans-106-4.3-178.7-64.6-68.4000112.3V132 G133 S134 N138 N139 Y142V132-D136 HydrophobicContact CG1-CB 4.08Å; G133-D136 PolarHBondContact O-N 3.49Å; S134-D136 VanDerWaalsContact C-N 3.32Å; D136-N138 PolarHBondContact O-N 2.93Å; D136-N139 VanDerWaalsContact O-CB 3.23Å; D136-N139 WeakPolarHBondContact O-CB 3.38Å; D136-N139 PolarHBondContact O-N 2.89Å; D136-Y142 HydrophobicContact CB-CD1 4.22Å; D136-Y142 HydrophobicContact CB-CE1 4.05Å
137T97.4Very high98Very high0 Ų026.8 Ų26.80%016%0.155CC..THydrogen-bonded Turntrans-62.8-26.5-175.7-59.30000113.6G133 S134 L143 V155 S156 Q160 M165 V168G133-T137 PolarHBondContact O-N 2.97Å; G133-T137 PolarHBondContact O-OG1 2.81Å; S134-T137 WeakPolarHBondContact CA-OG1 3.43Å; T137-L143 VanDerWaalsContact O-CD1 3.23Å; T137-L143 WeakPolarHBondContact O-CD1 3.4Å; T137-V155 HydrophobicContact CG2-CG1 3.93Å; T137-S156 WeakPolarHBondContact CB-O 3.36Å; T137-S156 VanDerWaalsContact CG2-O 3.32Å; T137-S156 WeakPolarHBondContact CG2-O 3.33Å; T137-S156 PolarHBondContact OG1-O 3.06Å; T137-Q160 HydrophobicContact CG2-CG 3.78Å; T137-M165 HydrophobicContact CG2-CE 4.23Å; T137-M165 HydrophobicContact CG2-SD 3.72Å; T137-V168 HydrophobicContact CG2-CG1 4.38Å; T137-V168 HydrophobicContact CG2-CG2 3.87Å; T137-V168 WeakPolarHBondContact O-CG2 3.36Å
138N97.3Very high98Very high84 Ų8432.5 Ų32.545%0.44918%0.18SC..THydrogen-bonded Turntrans-94.53.9174.466.22.4000113.7D136 F140 T164D136-N138 PolarHBondContact O-N 2.93Å; N138-F140 VanDerWaalsContact O-CD2 3.32Å; N138-F140 WeakPolarHBondContact O-CD2 3.41Å; N138-F140 WeakPolarHBondContact O-CE2 3.29Å; N138-F140 PolarHBondContact O-N 2.88Å; N138-F140 VanDerWaalsContact O-N 3.15Å; N138-T164 HydrophobicContact CB-CG2 4.08Å
139N97.9Very high98Very high62 Ų6233.4 Ų33.433%0.33218%0.181SC..  trans-86.180178.2-170.7-10.8000109.9D136 Y142 L143D136-N139 VanDerWaalsContact O-CB 3.23Å; D136-N139 WeakPolarHBondContact O-CB 3.38Å; D136-N139 PolarHBondContact O-N 2.89Å; N139-Y142 WeakPolarHBondContact ND2-CB 3.24Å; N139-Y142 WeakPolarHBondContact O-CB 3.44Å; N139-Y142 PolarHBondContact O-N 2.93Å; N139-Y142 VanDerWaalsContact O-N 3.14Å; N139-Y142 PolarHBondContact OD1-N 2.99Å; N139-L143 WeakPolarHBondContact O-CG 3.45Å; N139-L143 PolarHBondContact O-N 3.28Å
140F98.4Very high97.8Very high42 Ų4236 Ų3618%0.18421%0.208CC..Hα-helixtrans-57.9-41-174.6-59.4-73.8000114.8N138 Y142 L143 E144 T164 R167 V168 T171N138-F140 VanDerWaalsContact O-CD2 3.32Å; N138-F140 WeakPolarHBondContact O-CD2 3.41Å; N138-F140 WeakPolarHBondContact O-CE2 3.29Å; N138-F140 PolarHBondContact O-N 2.88Å; N138-F140 VanDerWaalsContact O-N 3.15Å; F140-Y142 VanDerWaalsContact C-N 3.33Å; F140-Y142 PolarHBondContact O-N 3.3Å; F140-L143 HydrophobicContact CD1-CD1 4.29Å; F140-L143 PolarHBondContact O-N 2.99Å; F140-E144 WeakPolarHBondContact O-CB 3.29Å; F140-E144 PolarHBondContact O-N 3.17Å; F140-T164 HydrophobicContact CZ-CG2 4.37Å; F140-R167 HydrophobicContact CE1-CB 3.57Å; F140-R167 VanDerWaalsContact CE2-CZ 3.48Å; F140-R167 HydrophobicContact CZ-CB 3.73Å; F140-V168 HydrophobicContact CE1-CG2 4.08Å; F140-T171 HydrophobicContact CD1-CG2 4.45Å
141P97.9Very high97.8Very high79 Ų7938.2 Ų38.251%0.51322%0.216SC..Hα-helixtrans-60.3-41.5174.3-25.335.4000113K145P141-K145 WeakPolarHBondContact O-CG 3.35Å; P141-K145 PolarHBondContact O-N 2.92Å; P141-K145 VanDerWaalsContact O-N 3.11Å
142Y97.9Very high97.8Very high6 Ų639 Ų392%0.02422%0.222CC..Hα-helixtrans-62.6-45.2174.6163.1-83.8000111.4G113 V119 V132 D136 N139 F140 E144 K145 T146G113-Y142 PolarHBondContact O-OH 2.87Å; V119-Y142 HydrophobicContact CB-CE2 4.48Å; V119-Y142 HydrophobicContact CG2-CD2 4.43Å; V119-Y142 HydrophobicContact CG2-CE2 3.39Å; V119-Y142 WeakPolarHBondContact CG2-OH 3.31Å; V132-Y142 HydrophobicContact CB-CE1 4.4Å; V132-Y142 HydrophobicContact CG1-CE1 3.78Å; V132-Y142 HydrophobicContact CG2-CE1 3.87Å; D136-Y142 HydrophobicContact CB-CD1 4.22Å; D136-Y142 HydrophobicContact CB-CE1 4.05Å; N139-Y142 WeakPolarHBondContact ND2-CB 3.24Å; N139-Y142 WeakPolarHBondContact O-CB 3.44Å; N139-Y142 PolarHBondContact O-N 2.93Å; N139-Y142 VanDerWaalsContact O-N 3.14Å; N139-Y142 PolarHBondContact OD1-N 2.99Å; F140-Y142 VanDerWaalsContact C-N 3.33Å; F140-Y142 PolarHBondContact O-N 3.3Å; Y142-E144 PolarHBondContact O-N 3.23Å; Y142-K145 PolarHBondContact O-N 3.47Å; Y142-T146 WeakPolarHBondContact O-CB 3.48Å; Y142-T146 PolarHBondContact O-N 3.25Å; Y142-T146 PolarHBondContact O-OG1 3.44Å
143L98.6Very high97.8Very high0 Ų039 Ų390%022%0.222CC..Hα-helixtrans-61.9-44.8179.3-73.2174.6000111.8V132 T137 N139 F140 T146 A147 M153 V168 T171 V172V132-L143 HydrophobicContact CG1-CD2 3.98Å; V132-L143 HydrophobicContact CG2-CD2 4.14Å; T137-L143 VanDerWaalsContact O-CD1 3.23Å; T137-L143 WeakPolarHBondContact O-CD1 3.4Å; N139-L143 WeakPolarHBondContact O-CG 3.45Å; N139-L143 PolarHBondContact O-N 3.28Å; F140-L143 HydrophobicContact CD1-CD1 4.29Å; F140-L143 PolarHBondContact O-N 2.99Å; L143-T146 PolarHBondContact O-N 2.95Å; L143-A147 VanDerWaalsContact O-CB 3.27Å; L143-A147 WeakPolarHBondContact O-CB 3.48Å; L143-A147 PolarHBondContact O-N 3.14Å; L143-M153 HydrophobicContact CD2-CE 4.32Å; L143-V168 HydrophobicContact CD1-CB 4.36Å; L143-V168 HydrophobicContact CD1-CG1 4.02Å; L143-V168 HydrophobicContact CD1-CG2 3.92Å; L143-T171 HydrophobicContact CB-CG2 4.32Å; L143-V172 HydrophobicContact CB-CG2 4.45Å; L143-V172 HydrophobicContact CD2-CG2 4.35Å
144E98.4Very high97.8Very high73 Ų7338.5 Ų38.534%0.34122%0.216SC..Hα-helixtrans-61.9-48.3179.5-167.2-168.8155.300111.4F140 Y142 T146 A147 K148 T171 H175F140-E144 WeakPolarHBondContact O-CB 3.29Å; F140-E144 PolarHBondContact O-N 3.17Å; Y142-E144 PolarHBondContact O-N 3.23Å; E144-T146 PolarHBondContact O-N 3.45Å; E144-A147 PolarHBondContact O-N 3.43Å; E144-K148 HydrophobicContact CG-CD 4.45Å; E144-K148 WeakPolarHBondContact O-CG 3.44Å; E144-K148 PolarHBondContact O-N 3.18Å; E144-K148 WeakPolarHBondContact OE1-CE 3.12Å; E144-K148 IonicContact OE1-NZ 3.45Å; E144-K148 PolarHBondContact OE1-NZ 3.28Å; E144-T171 HydrophobicContact CB-CG2 4.24Å; E144-H175 WeakPolarHBondContact CG-NE2 3.46Å; E144-H175 IonicContact OE1-NE2 3.54Å
145K98.1Very high97.9Very high93 Ų9337.9 Ų37.940%0.40421%0.212SC..Hα-helixtrans-62-43.6177.4-71.2179.9-176.6-175.50111.8E116 P141 Y142 K148E116-K145 HydrophobicContact CG-CD 4.33Å; E116-K145 WeakPolarHBondContact OE1-CD 3.27Å; E116-K145 WeakPolarHBondContact OE1-CE 3.37Å; E116-K145 IonicContact OE1-NZ 3.99Å; E116-K145 PolarHBondContact OE1-NZ 3.21Å; E116-K145 IonicContact OE2-NZ 2.7Å; E116-K145 PolarHBondContact OE2-NZ 3.39Å; P141-K145 WeakPolarHBondContact O-CG 3.35Å; P141-K145 PolarHBondContact O-N 2.92Å; P141-K145 VanDerWaalsContact O-N 3.11Å; Y142-K145 PolarHBondContact O-N 3.47Å; K145-K148 PolarHBondContact O-N 3.43Å
146T98.4Very high98Very high3 Ų335.7 Ų35.72%0.01819%0.189CC..Hα-helixtrans-63.6-43.8177.8-55.80000111.2V119 F130 Y142 L143 E144 K148 K149 M153V119-T146 HydrophobicContact CG1-CG2 3.99Å; F130-T146 HydrophobicContact CB-CG2 3.84Å; F130-T146 HydrophobicContact CD2-CG2 3.62Å; F130-T146 HydrophobicContact CE2-CG2 4.33Å; F130-T146 HydrophobicContact CG-CG2 3.77Å; Y142-T146 WeakPolarHBondContact O-CB 3.48Å; Y142-T146 PolarHBondContact O-N 3.25Å; Y142-T146 PolarHBondContact O-OG1 3.44Å; L143-T146 PolarHBondContact O-N 2.95Å; E144-T146 PolarHBondContact O-N 3.45Å; T146-K148 PolarHBondContact O-N 3.35Å; T146-K149 WeakPolarHBondContact O-CB 3.11Å; T146-K149 PolarHBondContact O-N 3.15Å; T146-M153 HydrophobicContact CG2-CE 3.71Å; T146-M153 HydrophobicContact CG2-SD 4.2Å
147A98.5Very high98.1Very high0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-64.2-38.2179.400000112.6L143 E144 K149 G150 M153 V172 H175 N176L143-A147 VanDerWaalsContact O-CB 3.27Å; L143-A147 WeakPolarHBondContact O-CB 3.48Å; L143-A147 PolarHBondContact O-N 3.14Å; E144-A147 PolarHBondContact O-N 3.43Å; A147-K149 PolarHBondContact O-N 2.88Å; A147-K149 VanDerWaalsContact O-N 3.16Å; A147-G150 PolarHBondContact O-N 2.95Å; A147-G150 VanDerWaalsContact O-N 3.11Å; A147-M153 VanDerWaalsContact CA-SD 3.52Å; A147-M153 HydrophobicContact CB-SD 3.77Å; A147-V172 HydrophobicContact CB-CG1 4.25Å; A147-H175 HydrophobicContact CB-CB 3.83Å; A147-N176 HydrophobicContact CB-CB 4.03Å
148K98.3Very high98.1Very high121 Ų12134.8 Ų34.853%0.52618%0.184SC..Hα-helixtrans-62.8-17.4176.9-77.5171.5171.81710114.3E144 K145 T146 G150 H175E144-K148 HydrophobicContact CG-CD 4.45Å; E144-K148 WeakPolarHBondContact O-CG 3.44Å; E144-K148 PolarHBondContact O-N 3.18Å; E144-K148 WeakPolarHBondContact OE1-CE 3.12Å; E144-K148 IonicContact OE1-NZ 3.45Å; E144-K148 PolarHBondContact OE1-NZ 3.28Å; K145-K148 PolarHBondContact O-N 3.43Å; T146-K148 PolarHBondContact O-N 3.35Å; K148-G150 PolarHBondContact O-N 3Å; K148-H175 VanDerWaalsContact CE-CE1 3.43Å; K148-H175 WeakPolarHBondContact CE-CE1 3.36Å; K148-H175 HydrophobicContact CG-CB 4.1Å
149K97.9Very high98.1Very high42 Ų4237 Ų3718%0.18319%0.194CC..THydrogen-bonded Turntrans-71.3-10.9174.8-65.2-177.7177.2-62.40113.6V119 E120 H123 F130 T146 A147 R151V119-K149 HydrophobicContact CG1-CD 3.91Å; E120-K149 WeakPolarHBondContact OE1-CE 3.19Å; E120-K149 IonicContact OE1-NZ 3.67Å; E120-K149 PolarHBondContact OE1-NZ 3.22Å; E120-K149 IonicContact OE2-NZ 2.89Å; E120-K149 PolarHBondContact OE2-NZ 2.98Å; H123-K149 HydrophobicContact CB-CD 3.95Å; F130-K149 HydrophobicContact CE2-CB 3.77Å; F130-K149 HydrophobicContact CE2-CD 3.83Å; F130-K149 HydrophobicContact CE2-CG 4.42Å; F130-K149 HydrophobicContact CZ-CB 4.32Å; F130-K149 HydrophobicContact CZ-CD 3.69Å; T146-K149 WeakPolarHBondContact O-CB 3.11Å; T146-K149 PolarHBondContact O-N 3.15Å; A147-K149 PolarHBondContact O-N 2.88Å; A147-K149 VanDerWaalsContact O-N 3.16Å; K149-R151 VanDerWaalsContact C-N 3.27Å; K149-R151 PolarHBondContact O-N 3.47Å
150G96.3Very high98.2Very high54 Ų5435.7 Ų35.756%0.55719%0.185SC*.  trans74.84.8170.200000116.1A147 K148A147-G150 PolarHBondContact O-N 2.95Å; A147-G150 VanDerWaalsContact O-N 3.11Å; K148-G150 PolarHBondContact O-N 3Å
151R97.3Very high98.1Very high48 Ų4836.5 Ų36.518%0.18120%0.196CC..SBendtrans-89151.2173.9-63.1-178.2-178.4-92.5-8.9110.9H123 D126 V127 F130 K149 N176H123-R151 PolarHBondContact ND1-NE 2.85Å; D126-R151 IonicContact OD1-CZ 2.69Å; D126-R151 IonicContact OD1-NH1 3.81Å; D126-R151 PolarHBondContact OD1-NH1 2.86Å; D126-R151 IonicContact OD1-NH2 2.63Å; D126-R151 PolarHBondContact OD1-NH2 2.81Å; V127-R151 WeakPolarHBondContact O-CD 3.32Å; V127-R151 PolarHBondContact O-NH1 3.21Å; F130-R151 HydrophobicContact CD2-CB 3.98Å; F130-R151 HydrophobicContact CE2-CB 3.75Å; F130-R151 HydrophobicContact CE2-CG 4.08Å; K149-R151 VanDerWaalsContact C-N 3.27Å; K149-R151 PolarHBondContact O-N 3.47Å; R151-N176 PolarHBondContact O-ND2 3.49Å
152P98.6Very high98.2Very high18 Ų1835.5 Ų35.512%0.11719%0.185CC..  trans-53.7152.4175-25.832.5000114.2F5 E6 L7 P128 F129 F130 N178F5-P152 HydrophobicContact CD2-CB 4.36Å; F5-P152 HydrophobicContact CD2-CG 4.48Å; F5-P152 HydrophobicContact CE2-CB 3.81Å; F5-P152 HydrophobicContact CE2-CG 4.4Å; E6-P152 WeakPolarHBondContact O-CG 3.41Å; L7-P152 HydrophobicContact CD1-CB 3.99Å; P128-P152 WeakPolarHBondContact O-CD 3.44Å; F129-P152 CarbonylContact C-O 3.45Å; F129-P152 VanDerWaalsContact CA-O 3.24Å; F129-P152 WeakPolarHBondContact CA-O 3.5Å; F129-P152 HydrophobicContact CB-CB 3.91Å; F129-P152 VanDerWaalsContact CB-O 3.29Å; F129-P152 WeakPolarHBondContact CB-O 3.38Å; F130-P152 PolarHBondContact N-O 3.16Å; P152-N178 CarbonylContact C-O 3.59Å; P152-N178 WeakPolarHBondContact CA-O 3.45Å; P152-N178 HydrophobicContact CB-CB 4.29Å; P152-N178 HydrophobicContact CG-CB 4.28Å
153M98.7Very high98.2Very high0 Ų041.5 Ų41.50%021%0.214CC..EExtended strand (participates in β ladder)trans-128.4140.4-178.2-62.8176.765.800112.9F130 V132 L143 T146 A147 V155 V172 N178 F179 T180F130-M153 HydrophobicContact CB-CG 4.42Å; F130-M153 CarbonylContact O-C 3.48Å; F130-M153 WeakPolarHBondContact O-CA 3.33Å; V132-M153 HydrophobicContact CG2-CE 3.83Å; L143-M153 HydrophobicContact CD2-CE 4.32Å; T146-M153 HydrophobicContact CG2-CE 3.71Å; T146-M153 HydrophobicContact CG2-SD 4.2Å; A147-M153 VanDerWaalsContact CA-SD 3.52Å; A147-M153 HydrophobicContact CB-SD 3.77Å; M153-V155 HydrophobicContact CB-CG2 4.34Å; M153-V155 HydrophobicContact CE-CG2 4.35Å; M153-V172 HydrophobicContact CE-CG1 4.42Å; M153-V172 HydrophobicContact CE-CG2 4.24Å; M153-V172 HydrophobicContact SD-CG1 3.81Å; M153-N178 PolarHBondContact N-O 3.16Å; M153-F179 HydrophobicContact CB-CB 3.84Å; M153-F179 CarbonylContact O-C 3.51Å; M153-F179 WeakPolarHBondContact O-CA 3.46Å; M153-F179 WeakPolarHBondContact O-CB 3.37Å; M153-T180 PolarHBondContact O-N 3.3Å
154V98.8Very high98.2Very high0 Ų042.7 Ų42.70%022%0.221CC..EExtended strand (participates in β ladder)trans-121.2105.9174.9-179.20000108.9L7 I22 F129 F130 K131 V132 T180 L182L7-V154 HydrophobicContact CD1-CG2 3.61Å; L7-V154 HydrophobicContact CD2-CG2 4.16Å; I22-V154 HydrophobicContact CD1-CG1 4.4Å; F129-V154 HydrophobicContact CD2-CB 4.17Å; F129-V154 HydrophobicContact CD2-CG2 3.52Å; F129-V154 HydrophobicContact CE2-CB 4.17Å; F129-V154 HydrophobicContact CE2-CG2 3.63Å; F129-V154 HydrophobicContact CG-CG2 4.3Å; F129-V154 HydrophobicContact CZ-CG2 4.49Å; F130-V154 PolarHBondContact O-N 3.49Å; K131-V154 WeakPolarHBondContact CA-O 3.5Å; K131-V154 HydrophobicContact CD-CB 3.88Å; K131-V154 HydrophobicContact CD-CG1 3.68Å; K131-V154 WeakPolarHBondContact CD-O 3.33Å; K131-V154 PolarHBondContact NZ-O 3.46Å; V132-V154 PolarHBondContact N-O 3.22Å; V154-T180 HydrophobicContact CB-CG2 4.13Å; V154-T180 HydrophobicContact CG1-CG2 3.98Å; V154-T180 HydrophobicContact CG2-CG2 3.83Å; V154-L182 HydrophobicContact CG1-CD1 3.52Å; V154-L182 HydrophobicContact CG1-CD2 3.94Å; V154-L182 HydrophobicContact CG1-CG 3.7Å
155V98.8Very high98.2Very high0 Ų039.2 Ų39.20%021%0.205CC..EExtended strand (participates in β ladder)trans-109.4117.4-168.8-173.10000110.7V132 T137 M153 V168 T180 I181 L182V132-V155 HydrophobicContact CB-CB 4.43Å; V132-V155 HydrophobicContact CB-CG1 4.18Å; V132-V155 HydrophobicContact CB-CG2 4.23Å; V132-V155 HydrophobicContact CG1-CG1 4.31Å; V132-V155 HydrophobicContact CG2-CG2 4.21Å; T137-V155 HydrophobicContact CG2-CG1 3.93Å; M153-V155 HydrophobicContact CB-CG2 4.34Å; M153-V155 HydrophobicContact CE-CG2 4.35Å; V155-V168 HydrophobicContact CG1-CG1 3.98Å; V155-T180 PolarHBondContact N-O 2.98Å; V155-I181 CarbonylContact O-C 3.53Å; V155-I181 WeakPolarHBondContact O-CA 3.41Å; V155-L182 PolarHBondContact O-N 3.39Å
156S98.6Very high98.3Very high3 Ų340.3 Ų40.32%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-81.4150.1175.5-69.40000111.6K131 V132 S134 T137K131-S156 WeakPolarHBondContact CE-OG 3.42Å; K131-S156 PolarHBondContact NZ-OG 3.41Å; V132-S156 PolarHBondContact O-N 3.41Å; V132-S156 VanDerWaalsContact O-N 3.1Å; S134-S156 VanDerWaalsContact OG-CB 3.24Å; S134-S156 WeakPolarHBondContact OG-CB 3.42Å; T137-S156 WeakPolarHBondContact CB-O 3.36Å; T137-S156 VanDerWaalsContact CG2-O 3.32Å; T137-S156 WeakPolarHBondContact CG2-O 3.33Å; T137-S156 PolarHBondContact OG1-O 3.06Å
157S98.4Very high98.3Very high3 Ų346.3 Ų46.32%0.02123%0.229CC..  trans-106.47.8-175.566.80000115.6Q160 L182 Q183 C184 Y203S157-Q160 WeakPolarHBondContact O-CB 3.48Å; S157-Q160 PolarHBondContact O-N 3.44Å; S157-Q160 VanDerWaalsContact O-N 3.15Å; S157-L182 WeakPolarHBondContact CB-O 3.48Å; S157-L182 PolarHBondContact N-O 3.29Å; S157-L182 PolarHBondContact OG-O 3.42Å; S157-Q183 WeakPolarHBondContact OG-CA 3.43Å; S157-Q183 PolarHBondContact OG-OE1 3.45Å; S157-Q183 VanDerWaalsContact OG-OE1 3.12Å; S157-C184 PolarHBondContact OG-N 3.21Å; S157-Y203 WeakPolarHBondContact CB-OH 3.19Å; S157-Y203 PolarHBondContact OG-OH 3.11Å
158G97.7Very high98.3Very high0 Ų046.3 Ų46.30%023%0.229CC..THydrogen-bonded Turntrans-60.2144.3-175.900000112.4S134 Q160 C184S134-G158 WeakPolarHBondContact CB-O 3.4Å; S134-G158 WeakPolarHBondContact OG-CA 3.42Å; S134-G158 PolarHBondContact OG-N 2.99Å; S134-G158 VanDerWaalsContact OG-N 3.09Å; G158-Q160 WeakPolarHBondContact O-CG 3.23Å; G158-Q160 PolarHBondContact O-N 3Å; G158-Q160 PolarHBondContact O-NE2 3.39Å; G158-C184 WeakPolarHBondContact CA-O 3.39Å
159M97.4Very high98.3Very high131 Ų13142.8 Ų42.865%0.64521%0.213SC*.THydrogen-bonded Turntrans64.49.4-176.4-46.8171.9-69.200114.6
160Q98.3Very high98.3Very high33 Ų3347.2 Ų47.215%0.15423%0.232CC..  trans-111.3146.6-178.8-48.9-50.6-33.900112.3S134 T137 S157 G158 T164 M165S134-Q160 PolarHBondContact O-NE2 3.46Å; S134-Q160 VanDerWaalsContact O-NE2 3.09Å; T137-Q160 HydrophobicContact CG2-CG 3.78Å; S157-Q160 WeakPolarHBondContact O-CB 3.48Å; S157-Q160 PolarHBondContact O-N 3.44Å; S157-Q160 VanDerWaalsContact O-N 3.15Å; G158-Q160 WeakPolarHBondContact O-CG 3.23Å; G158-Q160 PolarHBondContact O-N 3Å; G158-Q160 PolarHBondContact O-NE2 3.39Å; Q160-T164 HydrophobicContact CB-CG2 4.2Å; Q160-T164 HydrophobicContact CG-CG2 4.38Å; Q160-M165 HydrophobicContact CB-CG 4.24Å; Q160-M165 HydrophobicContact CB-SD 3.84Å; Q160-M165 HydrophobicContact CG-SD 4.17Å
161S98.3Very high98.5Very high60 Ų6045.8 Ų45.842%0.4221%0.212SC..  trans-82.5163.1169.871.30000111.3E163 T164 M165S161-E163 PolarHBondContact O-N 3.45Å; S161-E163 PolarHBondContact OG-N 3.26Å; S161-T164 PolarHBondContact O-N 3Å; S161-T164 VanDerWaalsContact O-N 3.16Å; S161-T164 PolarHBondContact OG-N 2.99Å; S161-T164 PolarHBondContact OG-OG1 2.78Å; S161-M165 WeakPolarHBondContact O-CG 3.29Å; S161-M165 PolarHBondContact O-N 3.29Å
162M98.4Very high98.5Very high57 Ų5743.5 Ų43.528%0.28120%0.203SC..Hα-helixtrans-57.9-35.8172.2-173.364.277.400112.1M165 R166 E202 Y203 E206 F207M162-M165 PolarHBondContact O-N 2.96Å; M162-R166 WeakPolarHBondContact O-CG 3.45Å; M162-R166 PolarHBondContact O-N 2.71Å; M162-E202 HydrophobicContact CE-CB 4.32Å; M162-Y203 HydrophobicContact CE-CD1 3.58Å; M162-Y203 HydrophobicContact CE-CE1 3.48Å; M162-Y203 VanDerWaalsContact CE-CE1 3.48Å; M162-Y203 HydrophobicContact SD-CD1 3.83Å; M162-Y203 HydrophobicContact SD-CE1 3.59Å; M162-Y203 VanDerWaalsContact SD-CE1 3.59Å; M162-E206 HydrophobicContact SD-CG 4.17Å; M162-F207 HydrophobicContact SD-CE2 4.42Å; M162-F207 HydrophobicContact SD-CZ 4.34Å
163E98.6Very high98.5Very high132 Ų13244.2 Ų44.262%0.61721%0.205SC*.Hα-helixtrans-61.1-45.9175.6-172.4-169.7156.100111.6S161 M165 R166 R167S161-E163 PolarHBondContact O-N 3.45Å; S161-E163 PolarHBondContact OG-N 3.26Å; E163-M165 VanDerWaalsContact C-N 3.32Å; E163-M165 PolarHBondContact O-N 3.49Å; E163-R166 PolarHBondContact O-N 3.43Å; E163-R167 PolarHBondContact O-N 3.25Å
164T98.8Very high98.4Very high26 Ų2650 Ų5016%0.1623%0.232CC..Hα-helixtrans-60.6-45173.8-61.10000110.5N138 F140 Q160 S161 R166 R167 V168N138-T164 HydrophobicContact CB-CG2 4.08Å; F140-T164 HydrophobicContact CZ-CG2 4.37Å; Q160-T164 HydrophobicContact CB-CG2 4.2Å; Q160-T164 HydrophobicContact CG-CG2 4.38Å; S161-T164 PolarHBondContact O-N 3Å; S161-T164 VanDerWaalsContact O-N 3.16Å; S161-T164 PolarHBondContact OG-N 2.99Å; S161-T164 PolarHBondContact OG-OG1 2.78Å; T164-R166 VanDerWaalsContact C-N 3.32Å; T164-R166 PolarHBondContact O-N 2.86Å; T164-R167 WeakPolarHBondContact O-CA 3.32Å; T164-R167 WeakPolarHBondContact O-CB 3.49Å; T164-R167 PolarHBondContact O-N 2.95Å; T164-V168 HydrophobicContact CG2-CG2 4.23Å; T164-V168 WeakPolarHBondContact O-CG2 3.07Å; T164-V168 PolarHBondContact O-N 3.42Å
165M98.8Very high98.4Very high0 Ų053.4 Ų53.40%025%0.248CC..Hα-helixtrans-63.4-34.2-179.4-66.4-49-58.800113.5T137 Q160 S161 M162 E163 R167 V168 Y169 I181 Y203 F207T137-M165 HydrophobicContact CG2-CE 4.23Å; T137-M165 HydrophobicContact CG2-SD 3.72Å; Q160-M165 HydrophobicContact CB-CG 4.24Å; Q160-M165 HydrophobicContact CB-SD 3.84Å; Q160-M165 HydrophobicContact CG-SD 4.17Å; S161-M165 WeakPolarHBondContact O-CG 3.29Å; S161-M165 PolarHBondContact O-N 3.29Å; M162-M165 PolarHBondContact O-N 2.96Å; E163-M165 VanDerWaalsContact C-N 3.32Å; E163-M165 PolarHBondContact O-N 3.49Å; M165-R167 VanDerWaalsContact C-N 3.32Å; M165-R167 PolarHBondContact O-N 3.01Å; M165-V168 HydrophobicContact CE-CB 4.35Å; M165-V168 HydrophobicContact CE-CG1 4.21Å; M165-V168 WeakPolarHBondContact O-CB 3.41Å; M165-V168 PolarHBondContact O-N 3.32Å; M165-V168 HydrophobicContact SD-CG2 4.43Å; M165-Y169 WeakPolarHBondContact O-CB 3.38Å; M165-Y169 PolarHBondContact O-N 3.42Å; M165-I181 HydrophobicContact CE-CB 4.48Å; M165-I181 HydrophobicContact CE-CD1 3.85Å; M165-I181 HydrophobicContact CE-CG1 4.08Å; M165-I181 HydrophobicContact CE-CG2 3.59Å; M165-Y203 HydrophobicContact CG-CE1 4.47Å; M165-F207 HydrophobicContact CB-CE2 4.42Å; M165-F207 HydrophobicContact CB-CZ 4.16Å
166R98.8Very high98.3Very high116 Ų11653.9 Ų53.944%0.43825%0.25SS..Hα-helixtrans-60.8-41.3170.6-72.4169.5176141.65.6112.2M162 E163 T164 K170 E206 F207M162-R166 WeakPolarHBondContact O-CG 3.45Å; M162-R166 PolarHBondContact O-N 2.71Å; E163-R166 PolarHBondContact O-N 3.43Å; T164-R166 VanDerWaalsContact C-N 3.32Å; T164-R166 PolarHBondContact O-N 2.86Å; R166-K170 PolarHBondContact O-N 3.33Å; R166-E206 HydrophobicContact CG-CG 4.36Å; R166-E206 WeakPolarHBondContact CG-OE1 3.35Å; R166-E206 IonicContact CZ-OE1 2.72Å; R166-E206 IonicContact CZ-OE2 2.58Å; R166-E206 VanDerWaalsContact NE-CD 3.29Å; R166-E206 IonicContact NE-OE1 2.94Å; R166-E206 PolarHBondContact NE-OE1 3.03Å; R166-E206 IonicContact NE-OE2 3.75Å; R166-E206 IonicContact NH2-OE1 2.62Å; R166-E206 PolarHBondContact NH2-OE1 3.36Å; R166-E206 IonicContact NH2-OE2 2.65Å; R166-E206 PolarHBondContact NH2-OE2 3.2Å; R166-F207 HydrophobicContact CG-CE1 4.27Å; R166-F207 HydrophobicContact CG-CZ 4.36Å
167R98.8Very high98.2Very high128 Ų12858 Ų5848%0.48327%0.269SS..Hα-helixtrans-68.2-40.1176.4-65.2172.259.4-173-0.8111.6F140 E163 T164 M165 K170 T171F140-R167 HydrophobicContact CE1-CB 3.57Å; F140-R167 VanDerWaalsContact CE2-CZ 3.48Å; F140-R167 HydrophobicContact CZ-CB 3.73Å; E163-R167 PolarHBondContact O-N 3.25Å; T164-R167 WeakPolarHBondContact O-CA 3.32Å; T164-R167 WeakPolarHBondContact O-CB 3.49Å; T164-R167 PolarHBondContact O-N 2.95Å; M165-R167 VanDerWaalsContact C-N 3.32Å; M165-R167 PolarHBondContact O-N 3.01Å; R167-K170 PolarHBondContact O-N 3.07Å; R167-T171 WeakPolarHBondContact O-CB 3.45Å; R167-T171 PolarHBondContact O-N 3.01Å; R167-T171 PolarHBondContact O-OG1 2.83Å
168V98.8Very high98.2Very high0 Ų060.6 Ų60.60%028%0.283CS..Hα-helixtrans-59.7-52174.81710000110.2T137 F140 L143 V155 T164 M165 K170 T171 V172T137-V168 HydrophobicContact CG2-CG1 4.38Å; T137-V168 HydrophobicContact CG2-CG2 3.87Å; T137-V168 WeakPolarHBondContact O-CG2 3.36Å; F140-V168 HydrophobicContact CE1-CG2 4.08Å; L143-V168 HydrophobicContact CD1-CB 4.36Å; L143-V168 HydrophobicContact CD1-CG1 4.02Å; L143-V168 HydrophobicContact CD1-CG2 3.92Å; V155-V168 HydrophobicContact CG1-CG1 3.98Å; T164-V168 HydrophobicContact CG2-CG2 4.23Å; T164-V168 WeakPolarHBondContact O-CG2 3.07Å; T164-V168 PolarHBondContact O-N 3.42Å; M165-V168 HydrophobicContact CE-CB 4.35Å; M165-V168 HydrophobicContact CE-CG1 4.21Å; M165-V168 WeakPolarHBondContact O-CB 3.41Å; M165-V168 PolarHBondContact O-N 3.32Å; M165-V168 HydrophobicContact SD-CG2 4.43Å; V168-K170 VanDerWaalsContact C-N 3.35Å; V168-K170 PolarHBondContact O-N 3.42Å; V168-T171 PolarHBondContact O-N 2.99Å; V168-V172 HydrophobicContact CG1-CG2 4.44Å; V168-V172 WeakPolarHBondContact O-CG2 3.18Å; V168-V172 PolarHBondContact O-N 2.78Å
169Y98.7Very high98.2Very high48 Ų4860.6 Ų60.619%0.18828%0.283CS..Hα-helixtrans-52.1-53175.8173.1-89.9000110.9M165 T171 V172 K173 F179 F207 D209 I210M165-Y169 WeakPolarHBondContact O-CB 3.38Å; M165-Y169 PolarHBondContact O-N 3.42Å; Y169-T171 PolarHBondContact O-N 2.92Å; Y169-V172 PolarHBondContact O-N 3.47Å; Y169-K173 HydrophobicContact CE1-CG 4.44Å; Y169-K173 WeakPolarHBondContact O-CB 3.46Å; Y169-K173 PolarHBondContact O-N 2.85Å; Y169-F179 AromaticContact CD2-CE2 3.95Å; Y169-F179 HydrophobicContact CD2-CE2 3.95Å; Y169-F179 AromaticContact CD2-CZ 3.63Å; Y169-F179 HydrophobicContact CD2-CZ 3.63Å; Y169-F179 AromaticContact CE2-CZ 3.94Å; Y169-F179 HydrophobicContact CE2-CZ 3.94Å; Y169-F179 HydrophobicContact CG-CZ 4.35Å; Y169-F207 HydrophobicContact CD1-CD1 4.07Å; Y169-F207 HydrophobicContact CD1-CE1 4.34Å; Y169-F207 HydrophobicContact CD2-CB 3.98Å; Y169-F207 AromaticContact CD2-CD1 3.44Å; Y169-F207 HydrophobicContact CD2-CD1 3.44Å; Y169-F207 VanDerWaalsContact CD2-CD1 3.44Å; Y169-F207 HydrophobicContact CD2-CE1 4.16Å; Y169-F207 AromaticContact CD2-CG 3.87Å; Y169-F207 HydrophobicContact CD2-CG 3.87Å; Y169-F207 HydrophobicContact CE2-CB 3.97Å; Y169-F207 AromaticContact CE2-CD1 3.99Å; Y169-F207 HydrophobicContact CE2-CD1 3.99Å; Y169-F207 HydrophobicContact CE2-CG 4.32Å; Y169-F207 AromaticContact CG-CD1 3.49Å; Y169-F207 HydrophobicContact CG-CD1 3.49Å; Y169-F207 VanDerWaalsContact CG-CD1 3.49Å; Y169-F207 AromaticContact CG-CE1 3.79Å; Y169-F207 HydrophobicContact CG-CE1 3.79Å; Y169-F207 HydrophobicContact CG-CG 4.35Å; Y169-D209 WeakPolarHBondContact CE2-OD1 3.22Å; Y169-D209 PolarHBondContact OH-OD1 2.94Å; Y169-D209 PolarHBondContact OH-OD2 2.81Å; Y169-D209 VanDerWaalsContact OH-OD2 3.06Å; Y169-I210 HydrophobicContact CD2-CD1 3.93Å; Y169-I210 HydrophobicContact CE2-CD1 4.11Å; Y169-I210 HydrophobicContact CE2-CG1 4.31Å; Y169-I210 HydrophobicContact CE2-CG2 4.19Å
170K98.5Very high98.2Very high135 Ų13554.4 Ų54.459%0.58725%0.252SS*.Hα-helixtrans-59.2-44.4179.3-176.1178.2177.9-179.50112.6R166 R167 V168 Q174R166-K170 PolarHBondContact O-N 3.33Å; R167-K170 PolarHBondContact O-N 3.07Å; V168-K170 VanDerWaalsContact C-N 3.35Å; V168-K170 PolarHBondContact O-N 3.42Å; K170-Q174 VanDerWaalsContact O-CG 3.26Å; K170-Q174 WeakPolarHBondContact O-CG 3.41Å; K170-Q174 PolarHBondContact O-N 3.46Å
171T98.7Very high98.3Very high23 Ų2352.8 Ų52.814%0.14125%0.245CC..Hα-helixtrans-64.6-47.7-177.2-56.10000111.3F140 L143 E144 R167 V168 Y169F140-T171 HydrophobicContact CD1-CG2 4.45Å; L143-T171 HydrophobicContact CB-CG2 4.32Å; E144-T171 HydrophobicContact CB-CG2 4.24Å; R167-T171 WeakPolarHBondContact O-CB 3.45Å; R167-T171 PolarHBondContact O-N 3.01Å; R167-T171 PolarHBondContact O-OG1 2.83Å; V168-T171 PolarHBondContact O-N 2.99Å; Y169-T171 PolarHBondContact O-N 2.92Å
172V98.6Very high98.3Very high0 Ų050 Ų500%023%0.225CC..Hα-helixtrans-69.1-46.6179.9178.20000110.4L143 A147 M153 V168 Y169 Q174 H175 N176 F179L143-V172 HydrophobicContact CB-CG2 4.45Å; L143-V172 HydrophobicContact CD2-CG2 4.35Å; A147-V172 HydrophobicContact CB-CG1 4.25Å; M153-V172 HydrophobicContact CE-CG1 4.42Å; M153-V172 HydrophobicContact CE-CG2 4.24Å; M153-V172 HydrophobicContact SD-CG1 3.81Å; V168-V172 HydrophobicContact CG1-CG2 4.44Å; V168-V172 WeakPolarHBondContact O-CG2 3.18Å; V168-V172 PolarHBondContact O-N 2.78Å; Y169-V172 PolarHBondContact O-N 3.47Å; V172-Q174 PolarHBondContact O-N 3.22Å; V172-Q174 VanDerWaalsContact O-N 3.16Å; V172-H175 PolarHBondContact O-N 2.86Å; V172-N176 HydrophobicContact CG1-CB 4.36Å; V172-N176 PolarHBondContact O-N 2.96Å; V172-F179 HydrophobicContact CB-CD1 4.45Å; V172-F179 HydrophobicContact CB-CD2 4.45Å; V172-F179 HydrophobicContact CB-CE1 4.34Å; V172-F179 HydrophobicContact CB-CE2 4.36Å; V172-F179 HydrophobicContact CB-CG 4.5Å; V172-F179 HydrophobicContact CB-CZ 4.31Å; V172-F179 HydrophobicContact CG1-CB 4.05Å; V172-F179 HydrophobicContact CG1-CD1 3.59Å; V172-F179 HydrophobicContact CG1-CD2 4Å; V172-F179 HydrophobicContact CG1-CE1 3.93Å; V172-F179 HydrophobicContact CG1-CE2 4.32Å; V172-F179 HydrophobicContact CG1-CG 3.62Å; V172-F179 HydrophobicContact CG1-CZ 4.29Å
173K97.3Very high98.3Very high33 Ų3347.8 Ų47.814%0.14321%0.214CC..Hα-helixtrans-59.4-29.2-176.9-167.470.2166.6177.20113.7Y169 H175 N176 Q177 F179 D209Y169-K173 HydrophobicContact CE1-CG 4.44Å; Y169-K173 WeakPolarHBondContact O-CB 3.46Å; Y169-K173 PolarHBondContact O-N 2.85Å; K173-H175 PolarHBondContact O-N 3.33Å; K173-N176 WeakPolarHBondContact CA-O 3.47Å; K173-Q177 PolarHBondContact O-NE2 3.15Å; K173-F179 HydrophobicContact CB-CE1 3.97Å; K173-F179 HydrophobicContact CB-CZ 4.1Å; K173-F179 HydrophobicContact CD-CE1 3.61Å; K173-F179 HydrophobicContact CD-CZ 4.13Å; K173-F179 HydrophobicContact CG-CE1 4.43Å; K173-D209 WeakPolarHBondContact CE-OD2 3.46Å; K173-D209 IonicContact NZ-OD2 2.69Å; K173-D209 PolarHBondContact NZ-OD2 2.91Å
174Q97.9Very high98.3Very high122 Ų12241.8 Ų41.857%0.5719%0.186SC*.THydrogen-bonded Turntrans-61.8-26.4175.4-81.4174.3-20.300113.3K170 V172K170-Q174 VanDerWaalsContact O-CG 3.26Å; K170-Q174 WeakPolarHBondContact O-CG 3.41Å; K170-Q174 PolarHBondContact O-N 3.46Å; V172-Q174 PolarHBondContact O-N 3.22Å; V172-Q174 VanDerWaalsContact O-N 3.16Å
175H98.3Very high98.2Very high72 Ų7242.3 Ų42.333%0.33319%0.19SC..THydrogen-bonded Turntrans-120.1-24.3-174.2-60.5-57.5000113.4E144 A147 K148 V172 K173E144-H175 WeakPolarHBondContact CG-NE2 3.46Å; E144-H175 IonicContact OE1-NE2 3.54Å; A147-H175 HydrophobicContact CB-CB 3.83Å; K148-H175 VanDerWaalsContact CE-CE1 3.43Å; K148-H175 WeakPolarHBondContact CE-CE1 3.36Å; K148-H175 HydrophobicContact CG-CB 4.1Å; V172-H175 PolarHBondContact O-N 2.86Å; K173-H175 PolarHBondContact O-N 3.33Å
176N97.6Very high98Very high9 Ų944 Ų445%0.04820%0.201CC..  trans-145.9125.7-173.8-167.4-10.2000111.5A147 R151 V172 K173 N178 F179A147-N176 HydrophobicContact CB-CB 4.03Å; R151-N176 PolarHBondContact O-ND2 3.49Å; V172-N176 HydrophobicContact CG1-CB 4.36Å; V172-N176 PolarHBondContact O-N 2.96Å; K173-N176 WeakPolarHBondContact CA-O 3.47Å; N176-N178 PolarHBondContact OD1-N 2.97Å; N176-F179 VanDerWaalsContact O-CD1 3.3Å; N176-F179 WeakPolarHBondContact O-CD1 3.41Å; N176-F179 WeakPolarHBondContact O-CE1 3.46Å
177Q96.1Very high97.7Very high90 Ų9040.3 Ų40.342%0.42120%0.196SC..SBendtrans-87.4-22.2178.9-59.3-57.8-48.600112.6K173 F179K173-Q177 PolarHBondContact O-NE2 3.15Å; Q177-F179 PolarHBondContact O-N 3.43Å
178N97.1Very high97.4Very high58 Ų5838.8 Ų38.831%0.3119%0.191SC..  trans-94.973.4-170.5-64.2-17.3000109.9F5 P152 M153 N176F5-N178 HydrophobicContact CB-CB 4.47Å; F5-N178 HydrophobicContact CD2-CB 3.75Å; F5-N178 HydrophobicContact CE2-CB 4.09Å; F5-N178 HydrophobicContact CG-CB 4.05Å; P152-N178 CarbonylContact C-O 3.59Å; P152-N178 WeakPolarHBondContact CA-O 3.45Å; P152-N178 HydrophobicContact CB-CB 4.29Å; P152-N178 HydrophobicContact CG-CB 4.28Å; M153-N178 PolarHBondContact N-O 3.16Å; N176-N178 PolarHBondContact OD1-N 2.97Å
179F98.4Very high97.1Very high0 Ų040.5 Ų40.50%020%0.202CC..EExtended strand (participates in β ladder)trans-141.7161.717672.6-80000113M153 Y169 V172 K173 N176 Q177 I181 I210M153-F179 HydrophobicContact CB-CB 3.84Å; M153-F179 CarbonylContact O-C 3.51Å; M153-F179 WeakPolarHBondContact O-CA 3.46Å; M153-F179 WeakPolarHBondContact O-CB 3.37Å; Y169-F179 AromaticContact CD2-CE2 3.95Å; Y169-F179 HydrophobicContact CD2-CE2 3.95Å; Y169-F179 AromaticContact CD2-CZ 3.63Å; Y169-F179 HydrophobicContact CD2-CZ 3.63Å; Y169-F179 AromaticContact CE2-CZ 3.94Å; Y169-F179 HydrophobicContact CE2-CZ 3.94Å; Y169-F179 HydrophobicContact CG-CZ 4.35Å; V172-F179 HydrophobicContact CB-CD1 4.45Å; V172-F179 HydrophobicContact CB-CD2 4.45Å; V172-F179 HydrophobicContact CB-CE1 4.34Å; V172-F179 HydrophobicContact CB-CE2 4.36Å; V172-F179 HydrophobicContact CB-CG 4.5Å; V172-F179 HydrophobicContact CB-CZ 4.31Å; V172-F179 HydrophobicContact CG1-CB 4.05Å; V172-F179 HydrophobicContact CG1-CD1 3.59Å; V172-F179 HydrophobicContact CG1-CD2 4Å; V172-F179 HydrophobicContact CG1-CE1 3.93Å; V172-F179 HydrophobicContact CG1-CE2 4.32Å; V172-F179 HydrophobicContact CG1-CG 3.62Å; V172-F179 HydrophobicContact CG1-CZ 4.29Å; K173-F179 HydrophobicContact CB-CE1 3.97Å; K173-F179 HydrophobicContact CB-CZ 4.1Å; K173-F179 HydrophobicContact CD-CE1 3.61Å; K173-F179 HydrophobicContact CD-CZ 4.13Å; K173-F179 HydrophobicContact CG-CE1 4.43Å; N176-F179 VanDerWaalsContact O-CD1 3.3Å; N176-F179 WeakPolarHBondContact O-CD1 3.41Å; N176-F179 WeakPolarHBondContact O-CE1 3.46Å; Q177-F179 PolarHBondContact O-N 3.43Å; F179-I181 HydrophobicContact CE2-CD1 4.45Å; F179-I181 HydrophobicContact CE2-CG1 4.41Å; F179-I210 HydrophobicContact CD1-CG2 4.49Å; F179-I210 HydrophobicContact CD2-CD1 4.06Å; F179-I210 HydrophobicContact CE1-CG2 4.12Å; F179-I210 HydrophobicContact CE2-CD1 3.57Å; F179-I210 HydrophobicContact CE2-CG2 4.4Å; F179-I210 HydrophobicContact CZ-CD1 4.14Å; F179-I210 HydrophobicContact CZ-CG2 4.07Å
180T98.6Very high96.9Very high0 Ų038.5 Ų38.50%019%0.194CC..EExtended strand (participates in β ladder)trans-133.1149.4175.1-177.50000110.3I13 M153 V154 V155 L182 P211 V234I13-T180 HydrophobicContact CD1-CG2 4.18Å; M153-T180 PolarHBondContact O-N 3.3Å; V154-T180 HydrophobicContact CB-CG2 4.13Å; V154-T180 HydrophobicContact CG1-CG2 3.98Å; V154-T180 HydrophobicContact CG2-CG2 3.83Å; V155-T180 PolarHBondContact N-O 2.98Å; T180-L182 HydrophobicContact CG2-CD2 4.29Å; T180-P211 WeakPolarHBondContact CA-O 3.39Å; T180-P211 VanDerWaalsContact CB-O 3.31Å; T180-P211 WeakPolarHBondContact CB-O 3.36Å; T180-P211 PolarHBondContact OG1-O 3.3Å; T180-V234 HydrophobicContact CG2-CG2 4.12Å
181I98.8Very high96.8Very high0 Ų037.5 Ų37.50%019%0.192CC..EExtended strand (participates in β ladder)trans-105.7130.7173.1-68.7173.3000108.6V155 M165 F179 Y203 F207 I210 I212 G213V155-I181 CarbonylContact O-C 3.53Å; V155-I181 WeakPolarHBondContact O-CA 3.41Å; M165-I181 HydrophobicContact CE-CB 4.48Å; M165-I181 HydrophobicContact CE-CD1 3.85Å; M165-I181 HydrophobicContact CE-CG1 4.08Å; M165-I181 HydrophobicContact CE-CG2 3.59Å; F179-I181 HydrophobicContact CE2-CD1 4.45Å; F179-I181 HydrophobicContact CE2-CG1 4.41Å; I181-Y203 HydrophobicContact CG2-CD2 3.88Å; I181-Y203 HydrophobicContact CG2-CE2 3.73Å; I181-F207 HydrophobicContact CD1-CD2 3.89Å; I181-F207 HydrophobicContact CD1-CE2 3.9Å; I181-F207 HydrophobicContact CD1-CG 4.4Å; I181-F207 HydrophobicContact CD1-CZ 4.43Å; I181-I210 HydrophobicContact CB-CD1 4.43Å; I181-I210 HydrophobicContact CD1-CD1 3.91Å; I181-I210 HydrophobicContact CG1-CD1 3.95Å; I181-I212 HydrophobicContact CB-CD1 4.29Å; I181-I212 WeakPolarHBondContact O-CA 3.48Å; I181-G213 PolarHBondContact O-N 2.9Å
182L98.8Very high96.7Very high0 Ų039.2 Ų39.20%021%0.208CC..EExtended strand (participates in β ladder)trans-100.8121.8174.2-48.6-171.1000109.9V154 V155 S157 T180 C184 G213 V234 E236V154-L182 HydrophobicContact CG1-CD1 3.52Å; V154-L182 HydrophobicContact CG1-CD2 3.94Å; V154-L182 HydrophobicContact CG1-CG 3.7Å; V155-L182 PolarHBondContact O-N 3.39Å; S157-L182 WeakPolarHBondContact CB-O 3.48Å; S157-L182 PolarHBondContact N-O 3.29Å; S157-L182 PolarHBondContact OG-O 3.42Å; T180-L182 HydrophobicContact CG2-CD2 4.29Å; L182-C184 PolarHBondContact O-N 3.07Å; L182-G213 WeakPolarHBondContact CA-O 3.32Å; L182-V234 HydrophobicContact CD2-CB 3.78Å; L182-V234 HydrophobicContact CD2-CG1 3.96Å; L182-E236 HydrophobicContact CD1-CB 4.15Å
183Q98.6Very high96.6Very high12 Ų1246.4 Ų46.46%0.05624%0.242CC..EExtended strand (participates in β ladder)trans-61.6132.9164.517053.64.200109.5S157 V199 I200 Y203 G213 Y214 S215S157-Q183 WeakPolarHBondContact OG-CA 3.43Å; S157-Q183 PolarHBondContact OG-OE1 3.45Å; S157-Q183 VanDerWaalsContact OG-OE1 3.12Å; Q183-V199 VanDerWaalsContact CD-CG1 3.48Å; Q183-V199 HydrophobicContact CG-CB 3.98Å; Q183-V199 HydrophobicContact CG-CG1 4.12Å; Q183-V199 VanDerWaalsContact OE1-CG1 3.25Å; Q183-I200 HydrophobicContact CB-CG1 3.9Å; Q183-I200 HydrophobicContact CG-CG1 4.29Å; Q183-Y203 HydrophobicContact CB-CD2 4.23Å; Q183-Y203 HydrophobicContact CB-CE2 4.02Å; Q183-G213 PolarHBondContact N-O 3.48Å; Q183-Y214 HydrophobicContact CB-CD2 4.33Å; Q183-Y214 HydrophobicContact CG-CD2 4.3Å; Q183-Y214 WeakPolarHBondContact O-CA 3.19Å; Q183-Y214 VanDerWaalsContact O-CD2 3.28Å; Q183-Y214 WeakPolarHBondContact O-CD2 3.22Å; Q183-S215 PolarHBondContact O-N 3.27Å
184C98.2Very high96.7Very high5 Ų549.3 Ų49.33%0.03426%0.259CS..EExtended strand (participates in β ladder)trans-154.9139.3-171.4177.20000110.5S134 S157 G158 L182 H217S134-C184 PolarHBondContact OG-SG 3.2Å; S157-C184 PolarHBondContact OG-N 3.21Å; G158-C184 WeakPolarHBondContact CA-O 3.39Å; L182-C184 PolarHBondContact O-N 3.07Å; C184-H217 PolarHBondContact SG-CE1 2.91Å
185T97.6Very high96.7Very high38 Ų3843.7 Ų43.723%0.23323%0.233CC..  trans-119.7121.2164.3-55.50000108.1A187 L190 D194 H217T185-A187 PolarHBondContact O-N 2.98Å; T185-L190 HydrophobicContact CG2-CD1 3.5Å; T185-L190 HydrophobicContact CG2-CD2 4.42Å; T185-D194 PolarHBondContact OG1-O 3.44Å; T185-D194 VanDerWaalsContact OG1-O 3.13Å; T185-H217 PolarHBondContact O-ND1 2.98Å
186S94.5Very high96.6Very high35 Ų3544.7 Ų44.725%0.24524%0.241CC..  trans-84.969.9-172.7-57.30000112.3S134S134-S186 WeakPolarHBondContact CB-OG 3.29Å
187A92.6Very high96.7Very high38 Ų3845.9 Ų45.931%0.31425%0.247SC..  trans-133.1140.9171.700000109.3T185 P189 L190 H217T185-A187 PolarHBondContact O-N 2.98Å; A187-P189 CarbonylContact C-O 3.46Å; A187-P189 CarbonylContact O-C 3.56Å; A187-L190 HydrophobicContact CB-CB 4.39Å; A187-L190 HydrophobicContact CB-CD1 3.94Å; A187-L190 PolarHBondContact O-N 3.41Å; A187-H217 WeakPolarHBondContact O-CB 2.79Å
188Y92.2Very high96.8Very high97 Ų9751.8 Ų51.838%0.3827%0.265SS..SBendtrans-136.3100.8-167.9-54.8-104000109.8H217 H238Y188-H217 HydrophobicContact CD1-CB 4.1Å; Y188-H217 AromaticContact CD1-CD2 3.66Å; Y188-H217 AromaticContact CD1-CG 3.89Å; Y188-H217 HydrophobicContact CE1-CB 4.31Å; Y188-H217 AromaticContact CE1-CD2 3.08Å; Y188-H217 WeakPolarHBondContact CE1-CD2 3.42Å; Y188-H217 AromaticContact CE1-CE1 3.92Å; Y188-H217 AromaticContact CE1-CG 3.59Å; Y188-H217 AromaticContact CE1-NE2 3.35Å; Y188-H217 WeakPolarHBondContact CE1-NE2 3.4Å; Y188-H217 AromaticContact CZ-CD2 3.72Å; Y188-H217 AromaticContact CZ-CE1 3.74Å; Y188-H217 AromaticContact CZ-CG 4Å; Y188-H217 AromaticContact CZ-NE2 3.57Å; Y188-H217 PolarHBondContact OH-CE1 2.86Å; Y188-H217 PolarHBondContact OH-NE2 2.91Å; Y188-H238 AromaticContact CE1-NE2 3.69Å
189P91.4Very high96.9Very high36 Ų3650.7 Ų50.723%0.23426%0.261CS..SBendcis-71.2163.7-7.632.2-35.2000113A187 H217 A252A187-P189 CarbonylContact C-O 3.46Å; A187-P189 CarbonylContact O-C 3.56Å; P189-H217 CarbonylContact C-O 3.54Å; P189-H217 WeakPolarHBondContact CA-O 3.33Å; P189-A252 HydrophobicContact CB-CB 4.26Å
190L95.4Very high96.9Very high5 Ų550.7 Ų50.73%0.02626%0.261CS..BIsolated β-bridgetrans-102.1125.5174.7176.566.7000110.2T185 A187 D194 V195 H217 E218T185-L190 HydrophobicContact CG2-CD1 3.5Å; T185-L190 HydrophobicContact CG2-CD2 4.42Å; A187-L190 HydrophobicContact CB-CB 4.39Å; A187-L190 HydrophobicContact CB-CD1 3.94Å; A187-L190 PolarHBondContact O-N 3.41Å; L190-D194 HydrophobicContact CD1-CB 3.62Å; L190-V195 HydrophobicContact CD2-CB 4.43Å; L190-V195 HydrophobicContact CD2-CG2 3.82Å; L190-V195 HydrophobicContact CG-CG2 4.1Å; L190-H217 HydrophobicContact CB-CB 4.12Å; L190-H217 PolarHBondContact N-O 3.32Å; L190-E218 WeakPolarHBondContact O-CA 3.46Å
191E96.5Very high96.9Very high115 Ų11552.6 Ų52.654%0.53727%0.272SS..PPolyproline II helixtrans-72.4151.4174-62-54.6130.900111.5E193 D194E191-E193 VanDerWaalsContact C-N 3.26Å; E191-E193 PolarHBondContact O-N 2.72Å; E191-D194 PolarHBondContact O-N 2.64Å; E191-D194 VanDerWaalsContact O-N 3.11Å
192A96.9Very high96.8Very high59 Ų5956.7 Ų56.749%0.48829%0.292SS..G310 helixtrans-61.3-34.8-171.200000112.9D194 V195 I223A192-D194 PolarHBondContact O-N 3.4Å; A192-V195 WeakPolarHBondContact O-CG2 3.36Å; A192-V195 PolarHBondContact O-N 3.1Å; A192-I223 HydrophobicContact CB-CD1 4.19Å
193E97Very high96.8Very high151 Ų15157 Ų5771%0.70629%0.293SS*.G310 helixtrans-63.7-27.5-179.9-64.271.2-157.100112.2E191E191-E193 VanDerWaalsContact C-N 3.26Å; E191-E193 PolarHBondContact O-N 2.72Å
194D97.7Very high96.8Very high94 Ų9459.7 Ų59.750%0.50331%0.305SS..G310 helixtrans-96.9-3-175.1-68.9-39000113.7T185 L190 E191 A192 N196T185-D194 PolarHBondContact OG1-O 3.44Å; T185-D194 VanDerWaalsContact OG1-O 3.13Å; L190-D194 HydrophobicContact CD1-CB 3.62Å; E191-D194 PolarHBondContact O-N 2.64Å; E191-D194 VanDerWaalsContact O-N 3.11Å; A192-D194 PolarHBondContact O-N 3.4Å; D194-N196 PolarHBondContact O-ND2 2.76Å
195V97.6Very high96.8Very high4 Ų466.1 Ų66.12%0.02433%0.333CS..  trans-65.4-42.8-177.6174.90000112.8L190 A192 L197 Y214 I223L190-V195 HydrophobicContact CD2-CB 4.43Å; L190-V195 HydrophobicContact CD2-CG2 3.82Å; L190-V195 HydrophobicContact CG-CG2 4.1Å; A192-V195 WeakPolarHBondContact O-CG2 3.36Å; A192-V195 PolarHBondContact O-N 3.1Å; V195-L197 HydrophobicContact CG1-CD2 3.67Å; V195-L197 HydrophobicContact CG1-CG 3.63Å; V195-Y214 HydrophobicContact CG1-CE2 4Å; V195-Y214 WeakPolarHBondContact CG1-OH 3.49Å; V195-I223 HydrophobicContact CB-CG2 4.44Å; V195-I223 HydrophobicContact CG1-CG2 3.62Å; V195-I223 HydrophobicContact CG2-CD1 3.91Å; V195-I223 HydrophobicContact CG2-CG2 4.09Å
196N97.6Very high96.8Very high93 Ų9367.8 Ų67.850%0.49734%0.338SS..  trans55.750.5-178.5-66.3-73.1000114.3D194 R198 V199D194-N196 PolarHBondContact O-ND2 2.76Å; N196-R198 PolarHBondContact O-N 2.83Å; N196-V199 HydrophobicContact CB-CG2 3.99Å; N196-V199 WeakPolarHBondContact O-CB 3.33Å; N196-V199 WeakPolarHBondContact O-CG2 3.35Å; N196-V199 PolarHBondContact O-N 2.93Å
197L98.5Very high96.9Very high34 Ų3466.3 Ų66.318%0.17833%0.327CS..THydrogen-bonded Turntrans-54.3-27.3-179.8-76.1-176.3000114.6V195 V199 I200 Y214 I223 A226 A227 L230V195-L197 HydrophobicContact CG1-CD2 3.67Å; V195-L197 HydrophobicContact CG1-CG 3.63Å; L197-V199 PolarHBondContact O-N 2.86Å; L197-V199 VanDerWaalsContact O-N 3.14Å; L197-I200 HydrophobicContact CD2-CD1 3.88Å; L197-I200 VanDerWaalsContact O-CB 3.29Å; L197-I200 WeakPolarHBondContact O-CB 3.5Å; L197-I200 WeakPolarHBondContact O-CG1 3.38Å; L197-I200 PolarHBondContact O-N 3.35Å; L197-Y214 HydrophobicContact CD2-CD2 4.18Å; L197-Y214 HydrophobicContact CD2-CE2 3.94Å; L197-I223 HydrophobicContact CD1-CG2 4.2Å; L197-I223 HydrophobicContact CD2-CG2 4.01Å; L197-I223 HydrophobicContact CG-CG2 4.25Å; L197-A226 HydrophobicContact CD1-CB 3.68Å; L197-A227 HydrophobicContact CD2-CB 3.82Å; L197-L230 HydrophobicContact CB-CD1 3.69Å; L197-L230 HydrophobicContact CD1-CD1 4.3Å
198R98.6Very high97.1Very high213 Ų21368.3 Ų68.380%0.80434%0.337SS*.Hα-helixtrans-61.5-19.1176.2-67.1-177.9-178.2177.51.3113.3N196 I200 T201 E202N196-R198 PolarHBondContact O-N 2.83Å; R198-I200 PolarHBondContact O-N 2.94Å; R198-T201 PolarHBondContact O-N 2.62Å; R198-T201 PolarHBondContact O-OG1 3.18Å; R198-E202 PolarHBondContact O-N 3.02Å
199V98.7Very high97.2Very high36 Ų3666 Ų6622%0.21833%0.331CS..Hα-helixtrans-62.4-27.4172.9177.60000111.4Q183 N196 L197 T201 E202 Y203Q183-V199 VanDerWaalsContact CD-CG1 3.48Å; Q183-V199 HydrophobicContact CG-CB 3.98Å; Q183-V199 HydrophobicContact CG-CG1 4.12Å; Q183-V199 VanDerWaalsContact OE1-CG1 3.25Å; N196-V199 HydrophobicContact CB-CG2 3.99Å; N196-V199 WeakPolarHBondContact O-CB 3.33Å; N196-V199 WeakPolarHBondContact O-CG2 3.35Å; N196-V199 PolarHBondContact O-N 2.93Å; L197-V199 PolarHBondContact O-N 2.86Å; L197-V199 VanDerWaalsContact O-N 3.14Å; V199-T201 VanDerWaalsContact C-N 3.34Å; V199-T201 PolarHBondContact O-N 3.17Å; V199-E202 PolarHBondContact O-N 2.93Å; V199-Y203 HydrophobicContact CG1-CD1 4.06Å; V199-Y203 HydrophobicContact CG1-CD2 4.08Å; V199-Y203 HydrophobicContact CG1-CE1 3.74Å; V199-Y203 HydrophobicContact CG1-CE2 3.78Å; V199-Y203 HydrophobicContact CG1-CG 4.2Å; V199-Y203 WeakPolarHBondContact O-CB 3.35Å; V199-Y203 PolarHBondContact O-N 3.43Å
200I98.7Very high97.5Very high0 Ų064.4 Ų64.40%032%0.321CS..Hα-helixtrans-58.1-47.4174.3-64.5168.8000110.5Q183 L197 R198 E202 Y203 Q204 I212 Y214 A227 L230Q183-I200 HydrophobicContact CB-CG1 3.9Å; Q183-I200 HydrophobicContact CG-CG1 4.29Å; L197-I200 HydrophobicContact CD2-CD1 3.88Å; L197-I200 VanDerWaalsContact O-CB 3.29Å; L197-I200 WeakPolarHBondContact O-CB 3.5Å; L197-I200 WeakPolarHBondContact O-CG1 3.38Å; L197-I200 PolarHBondContact O-N 3.35Å; R198-I200 PolarHBondContact O-N 2.94Å; I200-E202 VanDerWaalsContact C-N 3.34Å; I200-Y203 PolarHBondContact O-N 3.19Å; I200-Q204 WeakPolarHBondContact O-CG 3.33Å; I200-Q204 PolarHBondContact O-N 3.12Å; I200-I212 HydrophobicContact CG2-CG2 4.08Å; I200-Y214 HydrophobicContact CD1-CD2 4.33Å; I200-A227 HydrophobicContact CD1-CB 3.62Å; I200-L230 HydrophobicContact CG2-CB 4.34Å
201T98.1Very high97.6Very high40 Ų4064.3 Ų64.325%0.24532%0.32CS..Hα-helixtrans-71.7-30.5-179.957.40000112.2R198 V199 Q204 K205 L230R198-T201 PolarHBondContact O-N 2.62Å; R198-T201 PolarHBondContact O-OG1 3.18Å; V199-T201 VanDerWaalsContact C-N 3.34Å; V199-T201 PolarHBondContact O-N 3.17Å; T201-Q204 PolarHBondContact O-N 3.14Å; T201-K205 WeakPolarHBondContact O-CG 3.22Å; T201-K205 PolarHBondContact O-N 3.15Å; T201-L230 HydrophobicContact CG2-CB 4.46Å; T201-L230 HydrophobicContact CG2-CD2 4.21Å
202E98.5Very high97.7Very high86 Ų8659 Ų5940%0.40230%0.295SS..Hα-helixtrans-69-41.2172.3-65.2-52120.600111.8M162 R198 V199 I200 Q204 K205 E206M162-E202 HydrophobicContact CE-CB 4.32Å; R198-E202 PolarHBondContact O-N 3.02Å; V199-E202 PolarHBondContact O-N 2.93Å; I200-E202 VanDerWaalsContact C-N 3.34Å; E202-Q204 VanDerWaalsContact C-N 3.33Å; E202-Q204 PolarHBondContact O-N 3.43Å; E202-K205 PolarHBondContact O-N 2.98Å; E202-K205 VanDerWaalsContact O-N 3.16Å; E202-K205 IonicContact OE1-NZ 3.66Å; E202-K205 PolarHBondContact OE1-NZ 2.97Å; E202-K205 IonicContact OE2-NZ 2.84Å; E202-E206 WeakPolarHBondContact O-CB 3.49Å; E202-E206 PolarHBondContact O-N 3.19Å
203Y98.6Very high97.8Very high7 Ų756.2 Ų56.23%0.02727%0.272CS..Hα-helixtrans-63-36.9173-75.8-12.5000112.7S157 M162 M165 I181 Q183 V199 I200 K205 E206 F207 I212S157-Y203 WeakPolarHBondContact CB-OH 3.19Å; S157-Y203 PolarHBondContact OG-OH 3.11Å; M162-Y203 HydrophobicContact CE-CD1 3.58Å; M162-Y203 HydrophobicContact CE-CE1 3.48Å; M162-Y203 VanDerWaalsContact CE-CE1 3.48Å; M162-Y203 HydrophobicContact SD-CD1 3.83Å; M162-Y203 HydrophobicContact SD-CE1 3.59Å; M162-Y203 VanDerWaalsContact SD-CE1 3.59Å; M165-Y203 HydrophobicContact CG-CE1 4.47Å; I181-Y203 HydrophobicContact CG2-CD2 3.88Å; I181-Y203 HydrophobicContact CG2-CE2 3.73Å; Q183-Y203 HydrophobicContact CB-CD2 4.23Å; Q183-Y203 HydrophobicContact CB-CE2 4.02Å; V199-Y203 HydrophobicContact CG1-CD1 4.06Å; V199-Y203 HydrophobicContact CG1-CD2 4.08Å; V199-Y203 HydrophobicContact CG1-CE1 3.74Å; V199-Y203 HydrophobicContact CG1-CE2 3.78Å; V199-Y203 HydrophobicContact CG1-CG 4.2Å; V199-Y203 WeakPolarHBondContact O-CB 3.35Å; V199-Y203 PolarHBondContact O-N 3.43Å; I200-Y203 PolarHBondContact O-N 3.19Å; Y203-K205 VanDerWaalsContact C-N 3.28Å; Y203-K205 PolarHBondContact O-N 3.09Å; Y203-E206 PolarHBondContact O-N 3.14Å; Y203-F207 HydrophobicContact CD1-CD2 4.19Å; Y203-F207 AromaticContact CD1-CE2 3.69Å; Y203-F207 HydrophobicContact CD1-CE2 3.69Å; Y203-F207 HydrophobicContact CE1-CE2 4.17Å; Y203-F207 HydrophobicContact CG-CD2 4.31Å; Y203-F207 HydrophobicContact CG-CE2 4.21Å; Y203-F207 WeakPolarHBondContact O-CA 3.47Å; Y203-F207 WeakPolarHBondContact O-CB 3.3Å; Y203-F207 PolarHBondContact O-N 3.27Å; Y203-I212 HydrophobicContact CD2-CG2 4.21Å
204Q97.6Very high97.9Very high68 Ų6849 Ų4932%0.31824%0.239SC..Hα-helixtrans-64.3-32.6174.6-72.5166.5-15.900112.5I200 T201 E202 P208 I212 L230 G231I200-Q204 WeakPolarHBondContact O-CG 3.33Å; I200-Q204 PolarHBondContact O-N 3.12Å; T201-Q204 PolarHBondContact O-N 3.14Å; E202-Q204 VanDerWaalsContact C-N 3.33Å; E202-Q204 PolarHBondContact O-N 3.43Å; Q204-P208 VanDerWaalsContact O-CA 3.31Å; Q204-P208 WeakPolarHBondContact O-CA 3.43Å; Q204-I212 HydrophobicContact CG-CB 4.11Å; Q204-I212 HydrophobicContact CG-CG1 3.82Å; Q204-L230 PolarHBondContact NE2-O 3.31Å; Q204-L230 PolarHBondContact OE1-O 3.26Å; Q204-G231 PolarHBondContact NE2-O 2.77Å
205K97.8Very high97.9Very high139 Ų13944.7 Ų44.760%0.60422%0.216SC*.Hα-helixtrans-74.8-44174.5-67.1168.5-171.3170.30111.7T201 E202 Y203T201-K205 WeakPolarHBondContact O-CG 3.22Å; T201-K205 PolarHBondContact O-N 3.15Å; E202-K205 PolarHBondContact O-N 2.98Å; E202-K205 VanDerWaalsContact O-N 3.16Å; E202-K205 IonicContact OE1-NZ 3.66Å; E202-K205 PolarHBondContact OE1-NZ 2.97Å; E202-K205 IonicContact OE2-NZ 2.84Å; Y203-K205 VanDerWaalsContact C-N 3.28Å; Y203-K205 PolarHBondContact O-N 3.09Å
206E98.2Very high97.9Very high74 Ų7444.6 Ų44.635%0.34622%0.215SC..Hα-helixtrans-73.4-36.1-175.7-172.871.5-150.300112.3M162 R166 E202 Y203 P208M162-E206 HydrophobicContact SD-CG 4.17Å; R166-E206 HydrophobicContact CG-CG 4.36Å; R166-E206 WeakPolarHBondContact CG-OE1 3.35Å; R166-E206 IonicContact CZ-OE1 2.72Å; R166-E206 IonicContact CZ-OE2 2.58Å; R166-E206 VanDerWaalsContact NE-CD 3.29Å; R166-E206 IonicContact NE-OE1 2.94Å; R166-E206 PolarHBondContact NE-OE1 3.03Å; R166-E206 IonicContact NE-OE2 3.75Å; R166-E206 IonicContact NH2-OE1 2.62Å; R166-E206 PolarHBondContact NH2-OE1 3.36Å; R166-E206 IonicContact NH2-OE2 2.65Å; R166-E206 PolarHBondContact NH2-OE2 3.2Å; E202-E206 WeakPolarHBondContact O-CB 3.49Å; E202-E206 PolarHBondContact O-N 3.19Å; Y203-E206 PolarHBondContact O-N 3.14Å; E206-P208 VanDerWaalsContact C-CD 3.42Å; E206-P208 WeakPolarHBondContact O-CD 3.12Å
207F97.5Very high97.9Very high3 Ų340.4 Ų40.41%0.01319%0.193CC..SBendtrans-123.863.4-177.5-44.1-58.7000110.8M162 M165 R166 Y169 I181 Y203 D209 I210 I212M162-F207 HydrophobicContact SD-CE2 4.42Å; M162-F207 HydrophobicContact SD-CZ 4.34Å; M165-F207 HydrophobicContact CB-CE2 4.42Å; M165-F207 HydrophobicContact CB-CZ 4.16Å; R166-F207 HydrophobicContact CG-CE1 4.27Å; R166-F207 HydrophobicContact CG-CZ 4.36Å; Y169-F207 HydrophobicContact CD1-CD1 4.07Å; Y169-F207 HydrophobicContact CD1-CE1 4.34Å; Y169-F207 HydrophobicContact CD2-CB 3.98Å; Y169-F207 AromaticContact CD2-CD1 3.44Å; Y169-F207 HydrophobicContact CD2-CD1 3.44Å; Y169-F207 VanDerWaalsContact CD2-CD1 3.44Å; Y169-F207 HydrophobicContact CD2-CE1 4.16Å; Y169-F207 AromaticContact CD2-CG 3.87Å; Y169-F207 HydrophobicContact CD2-CG 3.87Å; Y169-F207 HydrophobicContact CE2-CB 3.97Å; Y169-F207 AromaticContact CE2-CD1 3.99Å; Y169-F207 HydrophobicContact CE2-CD1 3.99Å; Y169-F207 HydrophobicContact CE2-CG 4.32Å; Y169-F207 AromaticContact CG-CD1 3.49Å; Y169-F207 HydrophobicContact CG-CD1 3.49Å; Y169-F207 VanDerWaalsContact CG-CD1 3.49Å; Y169-F207 AromaticContact CG-CE1 3.79Å; Y169-F207 HydrophobicContact CG-CE1 3.79Å; Y169-F207 HydrophobicContact CG-CG 4.35Å; I181-F207 HydrophobicContact CD1-CD2 3.89Å; I181-F207 HydrophobicContact CD1-CE2 3.9Å; I181-F207 HydrophobicContact CD1-CG 4.4Å; I181-F207 HydrophobicContact CD1-CZ 4.43Å; Y203-F207 HydrophobicContact CD1-CD2 4.19Å; Y203-F207 AromaticContact CD1-CE2 3.69Å; Y203-F207 HydrophobicContact CD1-CE2 3.69Å; Y203-F207 HydrophobicContact CE1-CE2 4.17Å; Y203-F207 HydrophobicContact CG-CD2 4.31Å; Y203-F207 HydrophobicContact CG-CE2 4.21Å; Y203-F207 WeakPolarHBondContact O-CA 3.47Å; Y203-F207 WeakPolarHBondContact O-CB 3.3Å; Y203-F207 PolarHBondContact O-N 3.27Å; F207-D209 PolarHBondContact O-N 3.43Å; F207-D209 VanDerWaalsContact O-N 3.09Å; F207-I210 HydrophobicContact CB-CD1 3.92Å; F207-I210 HydrophobicContact CB-CG1 3.75Å; F207-I210 PolarHBondContact O-N 3.49Å; F207-I212 HydrophobicContact CB-CD1 4.45Å; F207-I212 HydrophobicContact CD2-CD1 4.44Å
208P95.1Very high97.8Very high80 Ų8038.9 Ų38.952%0.51919%0.185SC..THydrogen-bonded Turntrans-70.5-10.6-165.930.1-37.9000114.8P2 Q204 E206P2-P208 WeakPolarHBondContact CA-O 3.48Å; Q204-P208 VanDerWaalsContact O-CA 3.31Å; Q204-P208 WeakPolarHBondContact O-CA 3.43Å; E206-P208 VanDerWaalsContact C-CD 3.42Å; E206-P208 WeakPolarHBondContact O-CD 3.12Å
209D95.1Very high97.5Very high48 Ų4832.4 Ų32.426%0.25717%0.172SC..THydrogen-bonded Turntrans-103.61.7-175.772.3-39000113.4L3 Y169 K173 F207L3-D209 WeakPolarHBondContact CB-O 3.45Å; L3-D209 PolarHBondContact N-O 2.62Å; Y169-D209 WeakPolarHBondContact CE2-OD1 3.22Å; Y169-D209 PolarHBondContact OH-OD1 2.94Å; Y169-D209 PolarHBondContact OH-OD2 2.81Å; Y169-D209 VanDerWaalsContact OH-OD2 3.06Å; K173-D209 WeakPolarHBondContact CE-OD2 3.46Å; K173-D209 IonicContact NZ-OD2 2.69Å; K173-D209 PolarHBondContact NZ-OD2 2.91Å; F207-D209 PolarHBondContact O-N 3.43Å; F207-D209 VanDerWaalsContact O-N 3.09Å
210I97.3Very high97.3Very high4 Ų431.9 Ų31.92%0.02117%0.174CC..SBendtrans-122.2152.5173.363169.3000111.4Y169 F179 I181 F207 I212Y169-I210 HydrophobicContact CD2-CD1 3.93Å; Y169-I210 HydrophobicContact CE2-CD1 4.11Å; Y169-I210 HydrophobicContact CE2-CG1 4.31Å; Y169-I210 HydrophobicContact CE2-CG2 4.19Å; F179-I210 HydrophobicContact CD1-CG2 4.49Å; F179-I210 HydrophobicContact CD2-CD1 4.06Å; F179-I210 HydrophobicContact CE1-CG2 4.12Å; F179-I210 HydrophobicContact CE2-CD1 3.57Å; F179-I210 HydrophobicContact CE2-CG2 4.4Å; F179-I210 HydrophobicContact CZ-CD1 4.14Å; F179-I210 HydrophobicContact CZ-CG2 4.07Å; I181-I210 HydrophobicContact CB-CD1 4.43Å; I181-I210 HydrophobicContact CD1-CD1 3.91Å; I181-I210 HydrophobicContact CG1-CD1 3.95Å; F207-I210 HydrophobicContact CB-CD1 3.92Å; F207-I210 HydrophobicContact CB-CG1 3.75Å; F207-I210 PolarHBondContact O-N 3.49Å; I210-I212 HydrophobicContact CD1-CD1 4.27Å; I210-I212 HydrophobicContact CG1-CD1 4.13Å
211P97.8Very high97.3Very high2 Ų232.6 Ų32.61%0.01318%0.177CC..  trans-62.5144.3166.5-20.333.1000111L3 F5 I13 T180 K233L3-P211 WeakPolarHBondContact O-CD 3.26Å; L3-P211 VanDerWaalsContact O-CG 3.29Å; L3-P211 WeakPolarHBondContact O-CG 3.07Å; F5-P211 HydrophobicContact CD1-CG 4.22Å; F5-P211 HydrophobicContact CE1-CG 3.84Å; I13-P211 HydrophobicContact CD1-CB 4.14Å; I13-P211 HydrophobicContact CD1-CG 4.13Å; I13-P211 HydrophobicContact CG1-CG 4.15Å; T180-P211 WeakPolarHBondContact CA-O 3.39Å; T180-P211 VanDerWaalsContact CB-O 3.31Å; T180-P211 WeakPolarHBondContact CB-O 3.36Å; T180-P211 PolarHBondContact OG1-O 3.3Å; P211-K233 HydrophobicContact CB-CB 4.12Å; P211-K233 HydrophobicContact CB-CG 4.38Å
212I98.6Very high97.3Very high4 Ų435.3 Ų35.32%0.02120%0.198CC..EExtended strand (participates in β ladder)trans-111142.1171.7-57.9-54.6000108.5I181 I200 Y203 Q204 F207 I210 A232 K233I181-I212 HydrophobicContact CB-CD1 4.29Å; I181-I212 WeakPolarHBondContact O-CA 3.48Å; I200-I212 HydrophobicContact CG2-CG2 4.08Å; Y203-I212 HydrophobicContact CD2-CG2 4.21Å; Q204-I212 HydrophobicContact CG-CB 4.11Å; Q204-I212 HydrophobicContact CG-CG1 3.82Å; F207-I212 HydrophobicContact CB-CD1 4.45Å; F207-I212 HydrophobicContact CD2-CD1 4.44Å; I210-I212 HydrophobicContact CD1-CD1 4.27Å; I210-I212 HydrophobicContact CG1-CD1 4.13Å; I212-A232 CarbonylContact O-C 3.57Å; I212-A232 WeakPolarHBondContact O-CA 3.4Å; I212-K233 PolarHBondContact O-N 2.94Å
213G98.6Very high97.3Very high0 Ų032.8 Ų32.80%019%0.187CC..EExtended strand (participates in β ladder)trans-130.1-166.5174.600000112.9I181 L182 Q183 V234I181-G213 PolarHBondContact O-N 2.9Å; L182-G213 WeakPolarHBondContact CA-O 3.32Å; Q183-G213 PolarHBondContact N-O 3.48Å; G213-V234 CarbonylContact C-O 3.54Å; G213-V234 WeakPolarHBondContact CA-O 3.45Å
214Y98.9Very high97.3Very high1 Ų132.4 Ų32.40%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-142.8134.6-178.4175.8-107.6000110.7Q183 V195 L197 I200 G216 E218 I223 A227 V234 I235 E236Q183-Y214 HydrophobicContact CB-CD2 4.33Å; Q183-Y214 HydrophobicContact CG-CD2 4.3Å; Q183-Y214 WeakPolarHBondContact O-CA 3.19Å; Q183-Y214 VanDerWaalsContact O-CD2 3.28Å; Q183-Y214 WeakPolarHBondContact O-CD2 3.22Å; V195-Y214 HydrophobicContact CG1-CE2 4Å; V195-Y214 WeakPolarHBondContact CG1-OH 3.49Å; L197-Y214 HydrophobicContact CD2-CD2 4.18Å; L197-Y214 HydrophobicContact CD2-CE2 3.94Å; I200-Y214 HydrophobicContact CD1-CD2 4.33Å; Y214-G216 VanDerWaalsContact CE1-CA 3.45Å; Y214-E218 PolarHBondContact OH-OE2 3.4Å; Y214-I223 HydrophobicContact CE1-CG2 4.09Å; Y214-I223 VanDerWaalsContact OH-CG2 3.31Å; Y214-I223 WeakPolarHBondContact OH-CG2 3.28Å; Y214-A227 HydrophobicContact CD1-CB 3.77Å; Y214-A227 HydrophobicContact CD2-CB 4.46Å; Y214-A227 HydrophobicContact CE1-CB 4.49Å; Y214-A227 HydrophobicContact CG-CB 3.75Å; Y214-V234 PolarHBondContact N-O 2.69Å; Y214-I235 HydrophobicContact CD1-CD1 4.07Å; Y214-I235 HydrophobicContact CG-CD1 4.45Å; Y214-I235 CarbonylContact O-C 3.57Å; Y214-I235 WeakPolarHBondContact O-CA 3.17Å; Y214-E236 PolarHBondContact O-N 3.43Å
215S98.7Very high97.4Very high3 Ų330.2 Ų30.22%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-116107.4173.7-171.90000107.4Q183Q183-S215 PolarHBondContact O-N 3.27Å
216G97.4Very high97.4Very high1 Ų125.5 Ų25.51%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-99.3143.8-170.500000113.3Y214 E218 E236 R237Y214-G216 VanDerWaalsContact CE1-CA 3.45Å; G216-E218 VanDerWaalsContact C-OE2 3.3Å; G216-E218 WeakPolarHBondContact CA-OE2 3.06Å; G216-E236 PolarHBondContact N-O 2.83Å; G216-R237 WeakPolarHBondContact O-CD 3.34Å; G216-R237 PolarHBondContact O-NH1 3.48Å
217H97.3Very high97.4Very high5 Ų522 Ų222%0.02315%0.147CC..  trans-131.610.8173.1-49.6117.5000112.2C184 T185 A187 Y188 P189 L190 H238C184-H217 PolarHBondContact SG-CE1 2.91Å; T185-H217 PolarHBondContact O-ND1 2.98Å; A187-H217 WeakPolarHBondContact O-CB 2.79Å; Y188-H217 HydrophobicContact CD1-CB 4.1Å; Y188-H217 AromaticContact CD1-CD2 3.66Å; Y188-H217 AromaticContact CD1-CG 3.89Å; Y188-H217 HydrophobicContact CE1-CB 4.31Å; Y188-H217 AromaticContact CE1-CD2 3.08Å; Y188-H217 WeakPolarHBondContact CE1-CD2 3.42Å; Y188-H217 AromaticContact CE1-CE1 3.92Å; Y188-H217 AromaticContact CE1-CG 3.59Å; Y188-H217 AromaticContact CE1-NE2 3.35Å; Y188-H217 WeakPolarHBondContact CE1-NE2 3.4Å; Y188-H217 AromaticContact CZ-CD2 3.72Å; Y188-H217 AromaticContact CZ-CE1 3.74Å; Y188-H217 AromaticContact CZ-CG 4Å; Y188-H217 AromaticContact CZ-NE2 3.57Å; Y188-H217 PolarHBondContact OH-CE1 2.86Å; Y188-H217 PolarHBondContact OH-NE2 2.91Å; P189-H217 CarbonylContact C-O 3.54Å; P189-H217 WeakPolarHBondContact CA-O 3.33Å; L190-H217 HydrophobicContact CB-CB 4.12Å; L190-H217 PolarHBondContact N-O 3.32Å; H217-H238 AromaticContact CD2-CD2 3.8Å
218E96.3Very high97.5Very high2 Ų222 Ų221%0.00915%0.147CC..BIsolated β-bridgetrans-66.8167.6173.772.2-88.8-166.200112.8L190 Y214 G216 I223 S224 R237L190-E218 WeakPolarHBondContact O-CA 3.46Å; Y214-E218 PolarHBondContact OH-OE2 3.4Å; G216-E218 VanDerWaalsContact C-OE2 3.3Å; G216-E218 WeakPolarHBondContact CA-OE2 3.06Å; E218-I223 HydrophobicContact CB-CD1 3.62Å; E218-I223 HydrophobicContact CG-CB 3.77Å; E218-I223 HydrophobicContact CG-CD1 3.66Å; E218-I223 HydrophobicContact CG-CG1 4.3Å; E218-I223 HydrophobicContact CG-CG2 4.04Å; E218-I223 WeakPolarHBondContact OE1-CB 3.24Å; E218-I223 WeakPolarHBondContact OE1-CG2 3.41Å; E218-S224 PolarHBondContact OE1-N 3.13Å; E218-S224 VanDerWaalsContact OE1-N 3.17Å; E218-S224 PolarHBondContact OE1-OG 3.39Å; E218-R237 VanDerWaalsContact CG-NH1 3.32Å; E218-R237 PolarHBondContact O-NH1 3.27Å; E218-R237 PolarHBondContact O-NH2 2.76Å; E218-R237 IonicContact OE1-NH1 2.62Å; E218-R237 PolarHBondContact OE1-NH1 3.33Å; E218-R237 IonicContact OE2-CZ 3.59Å; E218-R237 IonicContact OE2-NH1 3.34Å; E218-R237 PolarHBondContact OE2-NH1 2.97Å
219S92.6Very high97.7Very high78 Ų7820.5 Ų20.555%0.54514%0.142SC..SBendtrans-83.1144.2166.5-700000112
220G95.4Very high97.8Very high24 Ų2421.3 Ų21.325%0.24715%0.146CC..SBendtrans71.4-164179.200000113.7
221I98.2Very high97.8Very high15 Ų1522.1 Ų22.18%0.07716%0.155CC..SBendtrans-116.8-16-169.468.3164.2000114.4I223 S224 V225 L254 E258 E261 L262I221-I223 VanDerWaalsContact C-N 3.29Å; I221-I223 PolarHBondContact O-N 3.47Å; I221-S224 PolarHBondContact O-N 3.35Å; I221-S224 VanDerWaalsContact O-N 3.17Å; I221-V225 HydrophobicContact CD1-CG2 4.47Å; I221-V225 WeakPolarHBondContact O-CG2 3.42Å; I221-V225 PolarHBondContact O-N 3.2Å; I221-L254 HydrophobicContact CG2-CD1 4.38Å; I221-L254 HydrophobicContact CG2-CD2 4.22Å; I221-E258 HydrophobicContact CG2-CB 4.42Å; I221-E258 WeakPolarHBondContact CG2-O 3.38Å; I221-E261 HydrophobicContact CD1-CB 3.99Å; I221-E261 HydrophobicContact CD1-CG 3.54Å; I221-L262 HydrophobicContact CB-CB 4.2Å; I221-L262 HydrophobicContact CB-CD1 4.11Å; I221-L262 HydrophobicContact CG2-CB 3.82Å
222S98.4Very high97.8Very high97 Ų9722.1 Ų22.168%0.67816%0.155SC*.Hα-helixtrans-59.5-39.3-167.4-53.90000113V225 A226S222-V225 PolarHBondContact O-N 3.18Å; S222-A226 WeakPolarHBondContact O-CB 3.46Å; S222-A226 PolarHBondContact O-N 3.32Å
223I98.5Very high97.8Very high33 Ų3324.1 Ų24.117%0.16916%0.164CC..Hα-helixtrans-69.3-44.7179.6-73156.2000111A192 V195 L197 Y214 E218 I221 V225 A226 A227A192-I223 HydrophobicContact CB-CD1 4.19Å; V195-I223 HydrophobicContact CB-CG2 4.44Å; V195-I223 HydrophobicContact CG1-CG2 3.62Å; V195-I223 HydrophobicContact CG2-CD1 3.91Å; V195-I223 HydrophobicContact CG2-CG2 4.09Å; L197-I223 HydrophobicContact CD1-CG2 4.2Å; L197-I223 HydrophobicContact CD2-CG2 4.01Å; L197-I223 HydrophobicContact CG-CG2 4.25Å; Y214-I223 HydrophobicContact CE1-CG2 4.09Å; Y214-I223 VanDerWaalsContact OH-CG2 3.31Å; Y214-I223 WeakPolarHBondContact OH-CG2 3.28Å; E218-I223 HydrophobicContact CB-CD1 3.62Å; E218-I223 HydrophobicContact CG-CB 3.77Å; E218-I223 HydrophobicContact CG-CD1 3.66Å; E218-I223 HydrophobicContact CG-CG1 4.3Å; E218-I223 HydrophobicContact CG-CG2 4.04Å; E218-I223 WeakPolarHBondContact OE1-CB 3.24Å; E218-I223 WeakPolarHBondContact OE1-CG2 3.41Å; I221-I223 VanDerWaalsContact C-N 3.29Å; I221-I223 PolarHBondContact O-N 3.47Å; I223-V225 VanDerWaalsContact C-N 3.3Å; I223-V225 PolarHBondContact O-N 2.98Å; I223-A226 CarbonylContact O-C 3.43Å; I223-A226 WeakPolarHBondContact O-CB 3.23Å; I223-A226 PolarHBondContact O-N 2.97Å; I223-A227 PolarHBondContact O-N 3.24Å
224S98.7Very high97.8Very high0 Ų024.1 Ų24.10%016%0.164CC..Hα-helixtrans-60.6-38.2174.3-70.60000112.5E218 I221 A227 V228 R237E218-S224 PolarHBondContact OE1-N 3.13Å; E218-S224 VanDerWaalsContact OE1-N 3.17Å; E218-S224 PolarHBondContact OE1-OG 3.39Å; I221-S224 PolarHBondContact O-N 3.35Å; I221-S224 VanDerWaalsContact O-N 3.17Å; S224-A227 WeakPolarHBondContact O-CB 3.5Å; S224-A227 PolarHBondContact O-N 3.28Å; S224-V228 PolarHBondContact O-N 2.86Å; S224-R237 WeakPolarHBondContact OG-CD 3.47Å
225V98.8Very high97.8Very high22 Ų2224 Ų2413%0.13316%0.164CC..Hα-helixtrans-66.5-43.3173.6175.50000111I221 S222 I223 A227 V228 A229 L262 V269I221-V225 HydrophobicContact CD1-CG2 4.47Å; I221-V225 WeakPolarHBondContact O-CG2 3.42Å; I221-V225 PolarHBondContact O-N 3.2Å; S222-V225 PolarHBondContact O-N 3.18Å; I223-V225 VanDerWaalsContact C-N 3.3Å; I223-V225 PolarHBondContact O-N 2.98Å; V225-A227 VanDerWaalsContact C-N 3.3Å; V225-A227 PolarHBondContact O-N 3.46Å; V225-V228 PolarHBondContact O-N 3.47Å; V225-A229 PolarHBondContact O-N 3.5Å; V225-A229 VanDerWaalsContact O-N 3.07Å; V225-L262 HydrophobicContact CG2-CD1 4Å; V225-V269 HydrophobicContact CG1-CB 4.42Å; V225-V269 HydrophobicContact CG1-CG2 3.56Å
226A98.8Very high97.8Very high39 Ų3924.3 Ų24.332%0.32217%0.165SC..Hα-helixtrans-63.2-34.8175.300000112.4L197 S222 I223 V228 A229 L230L197-A226 HydrophobicContact CD1-CB 3.68Å; S222-A226 WeakPolarHBondContact O-CB 3.46Å; S222-A226 PolarHBondContact O-N 3.32Å; I223-A226 CarbonylContact O-C 3.43Å; I223-A226 WeakPolarHBondContact O-CB 3.23Å; I223-A226 PolarHBondContact O-N 2.97Å; A226-V228 VanDerWaalsContact C-N 3.32Å; A226-V228 PolarHBondContact O-N 3.01Å; A226-A229 WeakPolarHBondContact O-CB 3.47Å; A226-A229 PolarHBondContact O-N 2.97Å; A226-A229 VanDerWaalsContact O-N 3.17Å; A226-L230 WeakPolarHBondContact O-CG 3.32Å; A226-L230 PolarHBondContact O-N 3.24Å
227A98.8Very high97.9Very high0 Ų024.4 Ų24.40%016%0.164CC..Hα-helixtrans-59.8-42.2173.700000111.8L197 I200 Y214 I223 S224 V225 L230 G231 A232 I235L197-A227 HydrophobicContact CD2-CB 3.82Å; I200-A227 HydrophobicContact CD1-CB 3.62Å; Y214-A227 HydrophobicContact CD1-CB 3.77Å; Y214-A227 HydrophobicContact CD2-CB 4.46Å; Y214-A227 HydrophobicContact CE1-CB 4.49Å; Y214-A227 HydrophobicContact CG-CB 3.75Å; I223-A227 PolarHBondContact O-N 3.24Å; S224-A227 WeakPolarHBondContact O-CB 3.5Å; S224-A227 PolarHBondContact O-N 3.28Å; V225-A227 VanDerWaalsContact C-N 3.3Å; V225-A227 PolarHBondContact O-N 3.46Å; A227-L230 CarbonylContact O-C 3.53Å; A227-L230 PolarHBondContact O-N 3.02Å; A227-G231 PolarHBondContact O-N 2.92Å; A227-A232 HydrophobicContact CB-CB 4.19Å; A227-A232 WeakPolarHBondContact O-CB 3.48Å; A227-A232 PolarHBondContact O-N 2.7Å; A227-I235 HydrophobicContact CB-CD1 4.07Å
228V98.7Very high98Very high4 Ų424.4 Ų24.42%0.02416%0.164CC..Hα-helixtrans-65.1-40.5173.9176.50000111.3C19 S224 V225 A226 L230 G231 I235 V266 E270C19-V228 HydrophobicContact CB-CG2 4.4Å; S224-V228 PolarHBondContact O-N 2.86Å; V225-V228 PolarHBondContact O-N 3.47Å; A226-V228 VanDerWaalsContact C-N 3.32Å; A226-V228 PolarHBondContact O-N 3.01Å; V228-L230 PolarHBondContact O-N 3.4Å; V228-G231 WeakPolarHBondContact O-CA 3.45Å; V228-G231 PolarHBondContact O-N 2.96Å; V228-I235 HydrophobicContact CG2-CD1 3.85Å; V228-I235 HydrophobicContact CG2-CG1 3.63Å; V228-V266 HydrophobicContact CG1-CG1 4.28Å; V228-V266 HydrophobicContact CG2-CG1 4.12Å; V228-V266 HydrophobicContact CG2-CG2 3.95Å; V228-E270 HydrophobicContact CG1-CG 3.96Å
229A98.3Very high98.1Very high49 Ų4924.3 Ų24.341%0.40516%0.164SC..Hα-helixtrans-61-30.4175.200000112.7V225 A226 G231 V269V225-A229 PolarHBondContact O-N 3.5Å; V225-A229 VanDerWaalsContact O-N 3.07Å; A226-A229 WeakPolarHBondContact O-CB 3.47Å; A226-A229 PolarHBondContact O-N 2.97Å; A226-A229 VanDerWaalsContact O-N 3.17Å; A229-G231 PolarHBondContact O-N 3.31Å; A229-V269 HydrophobicContact CB-CG1 4.02Å
230L98.2Very high98.4Very high65 Ų6520.6 Ų20.634%0.3414%0.138SC..THydrogen-bonded Turntrans-81.61.6172.4-66.3170.3000113.6L197 I200 T201 Q204 A226 A227 V228L197-L230 HydrophobicContact CB-CD1 3.69Å; L197-L230 HydrophobicContact CD1-CD1 4.3Å; I200-L230 HydrophobicContact CG2-CB 4.34Å; T201-L230 HydrophobicContact CG2-CB 4.46Å; T201-L230 HydrophobicContact CG2-CD2 4.21Å; Q204-L230 PolarHBondContact NE2-O 3.31Å; Q204-L230 PolarHBondContact OE1-O 3.26Å; A226-L230 WeakPolarHBondContact O-CG 3.32Å; A226-L230 PolarHBondContact O-N 3.24Å; A227-L230 CarbonylContact O-C 3.53Å; A227-L230 PolarHBondContact O-N 3.02Å; V228-L230 PolarHBondContact O-N 3.4Å
231G96.9Very high98.5Very high21 Ų2121.8 Ų21.822%0.21614%0.138CC..THydrogen-bonded Turntrans96.717.5173.400000115.4Q204 A227 V228 A229Q204-G231 PolarHBondContact NE2-O 2.77Å; A227-G231 PolarHBondContact O-N 2.92Å; V228-G231 WeakPolarHBondContact O-CA 3.45Å; V228-G231 PolarHBondContact O-N 2.96Å; A229-G231 PolarHBondContact O-N 3.31Å
232A98.4Very high98.4Very high2 Ų223.6 Ų23.62%0.01715%0.149CC..  trans-58.8135.7167.800000111I212 A227 I235I212-A232 CarbonylContact O-C 3.57Å; I212-A232 WeakPolarHBondContact O-CA 3.4Å; A227-A232 HydrophobicContact CB-CB 4.19Å; A227-A232 WeakPolarHBondContact O-CB 3.48Å; A227-A232 PolarHBondContact O-N 2.7Å; A232-I235 HydrophobicContact CB-CD1 4.13Å
233K98.3Very high98.3Very high45 Ų4522.3 Ų22.320%0.19613%0.131CC..SBendtrans-110.6-9.7-178.1-62.2-65.6169.9-177.50113.9G15 C19 F20 P211 I212G15-K233 VanDerWaalsContact O-CE 3.28Å; G15-K233 WeakPolarHBondContact O-CE 3.2Å; G15-K233 PolarHBondContact O-NZ 3.04Å; C19-K233 WeakPolarHBondContact CA-O 3.28Å; F20-K233 PolarHBondContact N-O 2.78Å; P211-K233 HydrophobicContact CB-CB 4.12Å; P211-K233 HydrophobicContact CB-CG 4.38Å; I212-K233 PolarHBondContact O-N 2.94Å
234V98.9Very high98.1Very high0 Ų026.4 Ų26.40%016%0.158CC..EExtended strand (participates in β ladder)trans-135.5132.5171.4-178.50000107.5L7 I13 F20 I22 T180 L182 G213 Y214L7-V234 HydrophobicContact CD2-CG2 4.45Å; I13-V234 HydrophobicContact CD1-CG2 3.71Å; I13-V234 HydrophobicContact CG2-CG2 4.37Å; F20-V234 HydrophobicContact CB-CG2 4.3Å; F20-V234 CarbonylContact O-C 3.54Å; F20-V234 VanDerWaalsContact O-CA 3.29Å; F20-V234 WeakPolarHBondContact O-CA 3.43Å; I22-V234 HydrophobicContact CD1-CG1 3.73Å; I22-V234 HydrophobicContact CG1-CG1 4.26Å; T180-V234 HydrophobicContact CG2-CG2 4.12Å; L182-V234 HydrophobicContact CD2-CB 3.78Å; L182-V234 HydrophobicContact CD2-CG1 3.96Å; G213-V234 CarbonylContact C-O 3.54Å; G213-V234 WeakPolarHBondContact CA-O 3.45Å; Y214-V234 PolarHBondContact N-O 2.69Å
235I98.9Very high98Very high0 Ų030.1 Ų30.10%017%0.172CC..EExtended strand (participates in β ladder)trans-116.7130.2171-66.5-59.9000108.2F20 I21 I22 Y214 A227 V228 A232 R237 L262F20-I235 PolarHBondContact O-N 3.05Å; I21-I235 WeakPolarHBondContact CA-O 3.37Å; I22-I235 PolarHBondContact N-O 2.78Å; Y214-I235 HydrophobicContact CD1-CD1 4.07Å; Y214-I235 HydrophobicContact CG-CD1 4.45Å; Y214-I235 CarbonylContact O-C 3.57Å; Y214-I235 WeakPolarHBondContact O-CA 3.17Å; A227-I235 HydrophobicContact CB-CD1 4.07Å; V228-I235 HydrophobicContact CG2-CD1 3.85Å; V228-I235 HydrophobicContact CG2-CG1 3.63Å; A232-I235 HydrophobicContact CB-CD1 4.13Å; I235-R237 HydrophobicContact CG2-CG 3.97Å; I235-L262 HydrophobicContact CG2-CD2 4.27Å
236E98.9Very high97.8Very high9 Ų932.3 Ų32.34%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-119.6129.1171.2178.2169.9139.500110.1I22 E24 K52 K131 L182 Y214 G216I22-E236 HydrophobicContact CB-CB 4.13Å; I22-E236 HydrophobicContact CB-CG 4.22Å; I22-E236 HydrophobicContact CG2-CG 4.12Å; E24-E236 HydrophobicContact CB-CG 4.2Å; K52-E236 WeakPolarHBondContact CE-OE1 3.44Å; K52-E236 WeakPolarHBondContact CE-OE2 3.33Å; K52-E236 IonicContact NZ-OE1 2.71Å; K52-E236 PolarHBondContact NZ-OE1 2.97Å; K52-E236 IonicContact NZ-OE2 3.67Å; K131-E236 WeakPolarHBondContact CD-OE2 3.49Å; K131-E236 VanDerWaalsContact CE-CD 3.48Å; K131-E236 WeakPolarHBondContact CE-OE1 3.45Å; K131-E236 WeakPolarHBondContact CE-OE2 3.36Å; L182-E236 HydrophobicContact CD1-CB 4.15Å; Y214-E236 PolarHBondContact O-N 3.43Å; G216-E236 PolarHBondContact N-O 2.83Å
237R98.6Very high97.6Very high2 Ų231.3 Ų31.31%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-141.1134.3179.9-74.6-63.1-57-174.34.7110.1I22 E24 G216 E218 S224 I235 A252 L254 L262I22-R237 PolarHBondContact O-N 2.93Å; I22-R237 VanDerWaalsContact O-N 3.12Å; E24-R237 PolarHBondContact N-O 2.79Å; G216-R237 WeakPolarHBondContact O-CD 3.34Å; G216-R237 PolarHBondContact O-NH1 3.48Å; E218-R237 VanDerWaalsContact CG-NH1 3.32Å; E218-R237 PolarHBondContact O-NH1 3.27Å; E218-R237 PolarHBondContact O-NH2 2.76Å; E218-R237 IonicContact OE1-NH1 2.62Å; E218-R237 PolarHBondContact OE1-NH1 3.33Å; E218-R237 IonicContact OE2-CZ 3.59Å; E218-R237 IonicContact OE2-NH1 3.34Å; E218-R237 PolarHBondContact OE2-NH1 2.97Å; S224-R237 WeakPolarHBondContact OG-CD 3.47Å; I235-R237 HydrophobicContact CG2-CG 3.97Å; R237-A252 PolarHBondContact NH2-O 3.23Å; R237-L254 HydrophobicContact CB-CD1 3.86Å; R237-L254 HydrophobicContact CB-CG 4.39Å; R237-L254 HydrophobicContact CG-CD1 4.06Å; R237-L262 HydrophobicContact CB-CD2 4.46Å; R237-L262 HydrophobicContact CG-CD2 3.9Å
238H98.6Very high97.2Very high5 Ų534.3 Ų34.32%0.02319%0.194CC..EExtended strand (participates in β ladder)trans-62.2145.5169.8-78-109.2000110.5E24 Y188 H217 D249 S253 L254E24-H238 CarbonylContact O-C 3.51Å; E24-H238 VanDerWaalsContact O-CA 3.23Å; E24-H238 WeakPolarHBondContact O-CA 3.16Å; Y188-H238 AromaticContact CE1-NE2 3.69Å; H217-H238 AromaticContact CD2-CD2 3.8Å; H238-D249 IonicContact CE1-OD2 3.72Å; H238-D249 PolarHBondContact CE1-OD2 2.9Å; H238-D249 IonicContact ND1-OD2 3.92Å; H238-S253 WeakPolarHBondContact CB-OG 3.29Å; H238-S253 CarbonylContact O-C 3.58Å; H238-S253 WeakPolarHBondContact O-CA 3.25Å; H238-L254 PolarHBondContact O-N 3.47Å
239I98.8Very high97Very high0 Ų035.1 Ų35.10%020%0.198CC..BIsolated β-bridgetrans-129.1150.3179.360.6152.2000111.4A23 E24 I25 N28 M39 M42 A43 L254 L259A23-I239 HydrophobicContact CB-CD1 3.79Å; A23-I239 HydrophobicContact CB-CG1 4.13Å; A23-I239 HydrophobicContact CB-CG2 3.96Å; E24-I239 WeakPolarHBondContact O-CG1 3.44Å; E24-I239 PolarHBondContact O-N 2.74Å; I25-I239 HydrophobicContact CD1-CD1 4.48Å; I25-I239 HydrophobicContact CG1-CD1 3.68Å; I25-I239 HydrophobicContact CG1-CG1 3.95Å; N28-I239 PolarHBondContact ND2-O 2.88Å; M39-I239 HydrophobicContact CE-CD1 4.34Å; M39-I239 HydrophobicContact CE-CG1 4.13Å; M39-I239 WeakPolarHBondContact CE-O 3.34Å; M42-I239 HydrophobicContact CE-CB 4.11Å; M42-I239 HydrophobicContact CE-CD1 3.54Å; M42-I239 HydrophobicContact CE-CG1 4.33Å; A43-I239 HydrophobicContact CB-CD1 4.02Å; I239-L254 CarbonylContact C-O 3.55Å; I239-L254 VanDerWaalsContact CA-O 3.31Å; I239-L254 WeakPolarHBondContact CA-O 3.4Å; I239-L259 HydrophobicContact CG2-CD1 4.15Å; I239-L259 HydrophobicContact CG2-CD2 3.88Å; I239-L259 HydrophobicContact CG2-CG 4.45Å
240T98.5Very high96.8Very high0 Ų032.9 Ų32.90%018%0.179CC..  trans-145.1157.6178.1-171.60000110.8D242 K243 H250 L254 I255T240-D242 WeakPolarHBondContact CG2-O 3.41Å; T240-D242 PolarHBondContact OG1-N 2.84Å; T240-D242 VanDerWaalsContact OG1-N 3.14Å; T240-D242 PolarHBondContact OG1-O 3.25Å; T240-K243 HydrophobicContact CG2-CG 3.93Å; T240-H250 PolarHBondContact OG1-CE1 2.82Å; T240-H250 PolarHBondContact OG1-ND1 3.17Å; T240-L254 PolarHBondContact N-O 2.8Å; T240-I255 HydrophobicContact CG2-CG2 3.89Å; T240-I255 WeakPolarHBondContact O-CA 3.49Å
241L98.2Very high96.5Very high49 Ų4935.6 Ų35.626%0.25719%0.19SC..SBendtrans-80.5-28.4166.2-62.7174000111.2I35 E38 M39 M42 W245I35-L241 HydrophobicContact CG2-CD1 4.33Å; E38-L241 HydrophobicContact CB-CD1 4.11Å; M39-L241 HydrophobicContact CG-CD1 4Å; M39-L241 HydrophobicContact CG-CD2 4.39Å; M39-L241 HydrophobicContact CG-CG 3.87Å; M42-L241 HydrophobicContact CB-CD2 4.24Å; M42-L241 HydrophobicContact CE-CD2 4.34Å; M42-L241 HydrophobicContact CG-CD2 4.18Å; L241-W245 HydrophobicContact CB-CH2 3.78Å; L241-W245 HydrophobicContact CB-CZ2 4.38Å; L241-W245 HydrophobicContact CB-CZ3 3.94Å; L241-W245 HydrophobicContact CD1-CH2 3.8Å; L241-W245 HydrophobicContact CD1-CZ3 4.08Å; L241-W245 HydrophobicContact CG-CH2 4.36Å; L241-W245 HydrophobicContact CG-CZ3 4.42Å
242D97.1Very high96.3Very high54 Ų5434.7 Ų34.729%0.28918%0.18SC..  trans-152.5130.9-177.5-173.6-20.3000110T240 T244 W245 H250T240-D242 WeakPolarHBondContact CG2-O 3.41Å; T240-D242 PolarHBondContact OG1-N 2.84Å; T240-D242 VanDerWaalsContact OG1-N 3.14Å; T240-D242 PolarHBondContact OG1-O 3.25Å; D242-T244 VanDerWaalsContact C-N 3.28Å; D242-T244 VanDerWaalsContact CG-OG1 3.24Å; D242-T244 WeakPolarHBondContact OD1-CB 3.34Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.47Å; D242-T244 PolarHBondContact OD1-N 2.83Å; D242-T244 PolarHBondContact OD1-OG1 3.48Å; D242-T244 PolarHBondContact OD2-OG1 3.12Å; D242-W245 VanDerWaalsContact CB-CD1 3.5Å; D242-W245 HydrophobicContact CB-CD2 3.79Å; D242-W245 HydrophobicContact CB-CG 3.79Å; D242-W245 HydrophobicContact CB-CZ2 4.22Å; D242-W245 VanDerWaalsContact CB-NE1 3.33Å; D242-W245 VanDerWaalsContact CG-CD1 3.48Å; D242-W245 PolarHBondContact OD2-NE1 2.9Å; D242-W245 VanDerWaalsContact OD2-NE1 3.13Å; D242-H250 PolarHBondContact O-ND1 2.65Å
243K95.7Very high96.3Very high69 Ų6934.6 Ų34.630%0.318%0.18SC..THydrogen-bonded Turntrans-75.5-18.2179.8-69.1-178.2168.91720113T240 W245 S253 I255 E258T240-K243 HydrophobicContact CG2-CG 3.93Å; K243-W245 VanDerWaalsContact C-N 3.35Å; K243-S253 WeakPolarHBondContact CE-O 3.24Å; K243-I255 HydrophobicContact CD-CG2 4.28Å; K243-I255 HydrophobicContact CG-CG2 3.78Å; K243-E258 VanDerWaalsContact CE-OE2 3.26Å; K243-E258 WeakPolarHBondContact CE-OE2 3.45Å; K243-E258 IonicContact NZ-OE1 2.74Å; K243-E258 PolarHBondContact NZ-OE1 3.46Å; K243-E258 IonicContact NZ-OE2 3.35Å; K243-E258 PolarHBondContact NZ-OE2 3.13Å
244T95.1Very high96.3Very high120 Ų12032.5 Ų32.574%0.73617%0.171SC*.THydrogen-bonded Turntrans-86.1-9.2-176.771.50000113.3D242D242-T244 VanDerWaalsContact C-N 3.28Å; D242-T244 VanDerWaalsContact CG-OG1 3.24Å; D242-T244 WeakPolarHBondContact OD1-CB 3.34Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.47Å; D242-T244 PolarHBondContact OD1-N 2.83Å; D242-T244 PolarHBondContact OD1-OG1 3.48Å; D242-T244 PolarHBondContact OD2-OG1 3.12Å
245W96Very high96.3Very high78 Ų7834.7 Ų34.730%0.29518%0.182SC..SBendtrans-64.5156.9-179.6-76.56.4000113I35 L241 D242 K243 G247 H250I35-W245 HydrophobicContact CD1-CH2 4.45Å; I35-W245 HydrophobicContact CD1-CZ3 4.28Å; I35-W245 HydrophobicContact CG2-CH2 4.4Å; I35-W245 HydrophobicContact CG2-CZ3 3.83Å; L241-W245 HydrophobicContact CB-CH2 3.78Å; L241-W245 HydrophobicContact CB-CZ2 4.38Å; L241-W245 HydrophobicContact CB-CZ3 3.94Å; L241-W245 HydrophobicContact CD1-CH2 3.8Å; L241-W245 HydrophobicContact CD1-CZ3 4.08Å; L241-W245 HydrophobicContact CG-CH2 4.36Å; L241-W245 HydrophobicContact CG-CZ3 4.42Å; D242-W245 VanDerWaalsContact CB-CD1 3.5Å; D242-W245 HydrophobicContact CB-CD2 3.79Å; D242-W245 HydrophobicContact CB-CG 3.79Å; D242-W245 HydrophobicContact CB-CZ2 4.22Å; D242-W245 VanDerWaalsContact CB-NE1 3.33Å; D242-W245 VanDerWaalsContact CG-CD1 3.48Å; D242-W245 PolarHBondContact OD2-NE1 2.9Å; D242-W245 VanDerWaalsContact OD2-NE1 3.13Å; K243-W245 VanDerWaalsContact C-N 3.35Å; W245-G247 PolarHBondContact O-N 2.78Å; W245-H250 AromaticContact CE3-CE1 3.99Å; W245-H250 PolarHBondContact O-CD2 3.42Å
246K95.1Very high96.3Very high67 Ų6736.9 Ų36.929%0.29120%0.196SC..SBendtrans-71.3116-179.5-177.7-179.1170.2-169.90110.8K74 N75 S76 W77 H250K74-K246 WeakPolarHBondContact O-CE 3.36Å; N75-K246 VanDerWaalsContact C-CE 3.47Å; N75-K246 WeakPolarHBondContact O-CE 3.37Å; S76-K246 WeakPolarHBondContact O-CE 3.21Å; S76-K246 PolarHBondContact O-NZ 2.7Å; W77-K246 HydrophobicContact CD2-CD 4.31Å; W77-K246 VanDerWaalsContact CE3-NZ 3.32Å; W77-K246 HydrophobicContact CH2-CD 4Å; W77-K246 HydrophobicContact CZ2-CB 4.28Å; W77-K246 HydrophobicContact CZ2-CD 3.64Å; W77-K246 HydrophobicContact CZ2-CG 4.18Å; W77-K246 HydrophobicContact CZ3-CD 4.45Å; K246-H250 PolarHBondContact O-NE2 3.39Å
247G94.1Very high96.3Very high18 Ų1840 Ų4019%0.18622%0.219CC..SBendtrans161.7155.2179.900000110.8N75 W245 D249N75-G247 PolarHBondContact ND2-O 2.88Å; N75-G247 VanDerWaalsContact ND2-O 3.12Å; N75-G247 PolarHBondContact OD1-N 3.35Å; W245-G247 PolarHBondContact O-N 2.78Å; G247-D249 VanDerWaalsContact C-N 3.34Å
248S89.4Confident96.3Very high63 Ų6341.7 Ų41.744%0.44123%0.227SC..SBendtrans-73.7-26.1-177.549.70000113.6
249D93.9Very high96.3Very high21 Ų2141.5 Ų41.511%0.11223%0.226CC..SBendtrans-102.8-13.2-165.6-52.5-9.3000111.9H238 G247 E251 A252 S253H238-D249 IonicContact CE1-OD2 3.72Å; H238-D249 PolarHBondContact CE1-OD2 2.9Å; H238-D249 IonicContact ND1-OD2 3.92Å; G247-D249 VanDerWaalsContact C-N 3.34Å; D249-E251 VanDerWaalsContact C-N 3.29Å; D249-E251 PolarHBondContact O-N 2.93Å; D249-A252 PolarHBondContact O-N 2.89Å; D249-S253 PolarHBondContact O-N 3.17Å; D249-S253 VanDerWaalsContact O-N 3.16Å; D249-S253 PolarHBondContact O-OG 3.44Å
250H95.6Very high96.3Very high2 Ų242.4 Ų42.41%0.00923%0.233CC..THydrogen-bonded Turntrans-56.9-39.6-176.8-73.7-65.8000113.1N28 T240 D242 W245 K246 A252 S253N28-H250 PolarHBondContact O-CE1 3.15Å; N28-H250 VanDerWaalsContact O-CE1 3.32Å; T240-H250 PolarHBondContact OG1-CE1 2.82Å; T240-H250 PolarHBondContact OG1-ND1 3.17Å; D242-H250 PolarHBondContact O-ND1 2.65Å; W245-H250 AromaticContact CE3-CE1 3.99Å; W245-H250 PolarHBondContact O-CD2 3.42Å; K246-H250 PolarHBondContact O-NE2 3.39Å; H250-A252 VanDerWaalsContact C-N 3.34Å; H250-A252 PolarHBondContact O-N 2.69Å; H250-S253 WeakPolarHBondContact O-CB 3.46Å; H250-S253 PolarHBondContact O-N 3.32Å; H250-S253 VanDerWaalsContact O-N 3.13Å
251E91.9Very high96.3Very high122 Ų12246.8 Ų46.857%0.5725%0.254SS*.THydrogen-bonded Turntrans-62.7-39.8-178.4-173.9171178.700112.4D249 S253D249-E251 VanDerWaalsContact C-N 3.29Å; D249-E251 PolarHBondContact O-N 2.93Å; E251-S253 VanDerWaalsContact C-N 3.33Å
252A93Very high96.3Very high2 Ų244.5 Ų44.52%0.01724%0.242CC..THydrogen-bonded Turntrans-83.7-7.3177.400000113.5P189 R237 D249 H250P189-A252 HydrophobicContact CB-CB 4.26Å; R237-A252 PolarHBondContact NH2-O 3.23Å; D249-A252 PolarHBondContact O-N 2.89Å; H250-A252 VanDerWaalsContact C-N 3.34Å; H250-A252 PolarHBondContact O-N 2.69Å
253S97.6Very high96.4Very high0 Ų042.6 Ų42.60%023%0.232CC..SBendtrans-83.3146.6-172.9-63.70000112.6N28 H238 K243 D249 H250 E251N28-S253 PolarHBondContact ND2-OG 3.21Å; H238-S253 WeakPolarHBondContact CB-OG 3.29Å; H238-S253 CarbonylContact O-C 3.58Å; H238-S253 WeakPolarHBondContact O-CA 3.25Å; K243-S253 WeakPolarHBondContact CE-O 3.24Å; D249-S253 PolarHBondContact O-N 3.17Å; D249-S253 VanDerWaalsContact O-N 3.16Å; D249-S253 PolarHBondContact O-OG 3.44Å; H250-S253 WeakPolarHBondContact O-CB 3.46Å; H250-S253 PolarHBondContact O-N 3.32Å; H250-S253 VanDerWaalsContact O-N 3.13Å; E251-S253 VanDerWaalsContact C-N 3.33Å
254L98.6Very high96.6Very high1 Ų146.5 Ų46.51%0.00525%0.245CC..BIsolated β-bridgetrans-78.5133.1173.6-57.5-178.3000111I221 R237 H238 I239 T240 E258 L259 L262I221-L254 HydrophobicContact CG2-CD1 4.38Å; I221-L254 HydrophobicContact CG2-CD2 4.22Å; R237-L254 HydrophobicContact CB-CD1 3.86Å; R237-L254 HydrophobicContact CB-CG 4.39Å; R237-L254 HydrophobicContact CG-CD1 4.06Å; H238-L254 PolarHBondContact O-N 3.47Å; I239-L254 CarbonylContact C-O 3.55Å; I239-L254 VanDerWaalsContact CA-O 3.31Å; I239-L254 WeakPolarHBondContact CA-O 3.4Å; T240-L254 PolarHBondContact N-O 2.8Å; L254-E258 WeakPolarHBondContact CA-OE2 3.38Å; L254-E258 HydrophobicContact CB-CB 4.06Å; L254-E258 HydrophobicContact CD2-CB 4.07Å; L254-L259 HydrophobicContact CB-CB 4.38Å; L254-L262 HydrophobicContact CD1-CB 4.39Å; L254-L262 HydrophobicContact CD1-CD2 3.67Å
255I98.6Very high96.8Very high47 Ų4742.1 Ų42.124%0.24122%0.219CC..PPolyproline II helixtrans-78.7169.2168.159.5163.3000110.7T240 K243 S257 E258 L259T240-I255 HydrophobicContact CG2-CG2 3.89Å; T240-I255 WeakPolarHBondContact O-CA 3.49Å; K243-I255 HydrophobicContact CD-CG2 4.28Å; K243-I255 HydrophobicContact CG-CG2 3.78Å; I255-S257 VanDerWaalsContact C-N 3.31Å; I255-S257 VanDerWaalsContact CD1-OG 3.29Å; I255-S257 WeakPolarHBondContact CD1-OG 3.36Å; I255-S257 PolarHBondContact O-N 2.86Å; I255-E258 HydrophobicContact CD1-CG 4.42Å; I255-E258 HydrophobicContact CG1-CB 4.19Å; I255-E258 HydrophobicContact CG1-CG 3.66Å; I255-E258 WeakPolarHBondContact CG1-OE2 3.45Å; I255-E258 PolarHBondContact N-OE2 3.06Å; I255-E258 PolarHBondContact O-N 2.7Å; I255-L259 PolarHBondContact O-N 3.37Å
256P98.6Very high96.9Very high46 Ų4638.4 Ų38.430%0.29921%0.205SC..Hα-helixtrans-56.4-40.5-173.4-2735.8000114.1M42 C46 E258 L259 A260M42-P256 HydrophobicContact CE-CG 4.34Å; M42-P256 HydrophobicContact CG-CB 3.82Å; M42-P256 HydrophobicContact CG-CG 3.62Å; M42-P256 HydrophobicContact SD-CB 3.93Å; M42-P256 HydrophobicContact SD-CG 3.91Å; C46-P256 PolarHBondContact SG-O 2.84Å; P256-E258 PolarHBondContact O-N 3.34Å; P256-L259 PolarHBondContact O-N 3.17Å; P256-A260 WeakPolarHBondContact O-CB 3.42Å; P256-A260 PolarHBondContact O-N 2.62Å
257S98.6Very high97.1Very high73 Ų7338.5 Ų38.551%0.5120%0.204SC..Hα-helixtrans-63.6-41.6177.351.70000112.5I255 E261I255-S257 VanDerWaalsContact C-N 3.31Å; I255-S257 VanDerWaalsContact CD1-OG 3.29Å; I255-S257 WeakPolarHBondContact CD1-OG 3.36Å; I255-S257 PolarHBondContact O-N 2.86Å; S257-E261 WeakPolarHBondContact O-CB 3.24Å; S257-E261 PolarHBondContact O-N 3.05Å
258E98.7Very high97.3Very high39 Ų3942.5 Ų42.518%0.18222%0.22CC..Hα-helixtrans-70.2-40.8179.4-65.1174.415000111.5I221 K243 L254 I255 P256 E261 L262I221-E258 HydrophobicContact CG2-CB 4.42Å; I221-E258 WeakPolarHBondContact CG2-O 3.38Å; K243-E258 VanDerWaalsContact CE-OE2 3.26Å; K243-E258 WeakPolarHBondContact CE-OE2 3.45Å; K243-E258 IonicContact NZ-OE1 2.74Å; K243-E258 PolarHBondContact NZ-OE1 3.46Å; K243-E258 IonicContact NZ-OE2 3.35Å; K243-E258 PolarHBondContact NZ-OE2 3.13Å; L254-E258 WeakPolarHBondContact CA-OE2 3.38Å; L254-E258 HydrophobicContact CB-CB 4.06Å; L254-E258 HydrophobicContact CD2-CB 4.07Å; I255-E258 HydrophobicContact CD1-CG 4.42Å; I255-E258 HydrophobicContact CG1-CB 4.19Å; I255-E258 HydrophobicContact CG1-CG 3.66Å; I255-E258 WeakPolarHBondContact CG1-OE2 3.45Å; I255-E258 PolarHBondContact N-OE2 3.06Å; I255-E258 PolarHBondContact O-N 2.7Å; P256-E258 PolarHBondContact O-N 3.34Å; E258-E261 PolarHBondContact O-N 3.36Å; E258-L262 WeakPolarHBondContact O-CB 3.32Å; E258-L262 PolarHBondContact O-N 3.09Å
259L98.9Very high97.7Very high0 Ų041 Ų410%021%0.208CC..Hα-helixtrans-63.7-45.8175.5179.563.1000111.2A23 M42 C46 I239 L254 I255 P256 E261 L262 V263A23-L259 HydrophobicContact CB-CD2 4.36Å; M42-L259 HydrophobicContact SD-CD2 3.95Å; C46-L259 HydrophobicContact CB-CB 4.2Å; C46-L259 HydrophobicContact CB-CD2 3.64Å; C46-L259 HydrophobicContact CB-CG 3.72Å; I239-L259 HydrophobicContact CG2-CD1 4.15Å; I239-L259 HydrophobicContact CG2-CD2 3.88Å; I239-L259 HydrophobicContact CG2-CG 4.45Å; L254-L259 HydrophobicContact CB-CB 4.38Å; I255-L259 PolarHBondContact O-N 3.37Å; P256-L259 PolarHBondContact O-N 3.17Å; L259-E261 VanDerWaalsContact C-N 3.27Å; L259-E261 PolarHBondContact O-N 3.31Å; L259-L262 WeakPolarHBondContact O-CB 3.48Å; L259-L262 PolarHBondContact O-N 3.38Å; L259-V263 WeakPolarHBondContact O-CG2 3.02Å; L259-V263 PolarHBondContact O-N 2.96Å
260A98.9Very high97.9Very high19 Ų1942 Ų4216%0.15721%0.213CC..Hα-helixtrans-62.6-37.1176.800000111.6C46 P256 R264C46-A260 HydrophobicContact CB-CB 4.12Å; P256-A260 WeakPolarHBondContact O-CB 3.42Å; P256-A260 PolarHBondContact O-N 2.62Å; A260-R264 WeakPolarHBondContact O-CG 3.12Å; A260-R264 PolarHBondContact O-N 3.47Å; A260-R264 VanDerWaalsContact O-N 3.07Å; A260-R264 PolarHBondContact O-NH1 3.37Å
261E98.9Very high97.9Very high93 Ų9351.5 Ų51.544%0.43525%0.248SC..Hα-helixtrans-67.8-40.5174.5-165-175.6167.700112.6I221 S257 E258 L259 R264 S265I221-E261 HydrophobicContact CD1-CB 3.99Å; I221-E261 HydrophobicContact CD1-CG 3.54Å; S257-E261 WeakPolarHBondContact O-CB 3.24Å; S257-E261 PolarHBondContact O-N 3.05Å; E258-E261 PolarHBondContact O-N 3.36Å; L259-E261 VanDerWaalsContact C-N 3.27Å; L259-E261 PolarHBondContact O-N 3.31Å; E261-R264 PolarHBondContact O-N 3.23Å; E261-S265 VanDerWaalsContact O-CB 3.22Å; E261-S265 WeakPolarHBondContact O-CB 3.43Å; E261-S265 PolarHBondContact O-N 2.9Å; E261-S265 PolarHBondContact O-OG 3.22Å
262L98.9Very high98.2Very high0 Ų049.5 Ų49.50%025%0.252CS..Hα-helixtrans-57.9-51.6173.4175.263000110.4I221 V225 I235 R237 L254 E258 L259 R264 S265 V266I221-L262 HydrophobicContact CB-CB 4.2Å; I221-L262 HydrophobicContact CB-CD1 4.11Å; I221-L262 HydrophobicContact CG2-CB 3.82Å; V225-L262 HydrophobicContact CG2-CD1 4Å; I235-L262 HydrophobicContact CG2-CD2 4.27Å; R237-L262 HydrophobicContact CB-CD2 4.46Å; R237-L262 HydrophobicContact CG-CD2 3.9Å; L254-L262 HydrophobicContact CD1-CB 4.39Å; L254-L262 HydrophobicContact CD1-CD2 3.67Å; E258-L262 WeakPolarHBondContact O-CB 3.32Å; E258-L262 PolarHBondContact O-N 3.09Å; L259-L262 WeakPolarHBondContact O-CB 3.48Å; L259-L262 PolarHBondContact O-N 3.38Å; L262-R264 PolarHBondContact O-N 2.97Å; L262-S265 PolarHBondContact O-N 3.35Å; L262-V266 HydrophobicContact CD1-CG2 3.89Å; L262-V266 HydrophobicContact CG-CG2 4.37Å; L262-V266 WeakPolarHBondContact O-CB 3.48Å; L262-V266 VanDerWaalsContact O-CG2 3.3Å; L262-V266 WeakPolarHBondContact O-CG2 3.37Å; L262-V266 PolarHBondContact O-N 3.19Å
263V98.9Very high98.2Very high14 Ų1453.6 Ų53.69%0.08527%0.274CS..Hα-helixtrans-58-48.7-179.9173.50000110.8I21 C46 L259 S265 V266 R267I21-V263 HydrophobicContact CD1-CB 4.24Å; I21-V263 HydrophobicContact CD1-CG1 4.37Å; I21-V263 HydrophobicContact CD1-CG2 3.78Å; I21-V263 HydrophobicContact CG2-CG2 4.41Å; C46-V263 WeakPolarHBondContact O-CG2 3.43Å; L259-V263 WeakPolarHBondContact O-CG2 3.02Å; L259-V263 PolarHBondContact O-N 2.96Å; V263-S265 PolarHBondContact O-N 2.89Å; V263-V266 PolarHBondContact O-N 2.93Å; V263-R267 VanDerWaalsContact O-CG 3.29Å; V263-R267 WeakPolarHBondContact O-CG 3.49Å; V263-R267 PolarHBondContact O-N 3.21Å; V263-R267 VanDerWaalsContact O-N 3.11Å
264R98.9Very high97.9Very high151 Ų15156.9 Ų56.957%0.5731%0.308SS*.Hα-helixtrans-60.3-44.7177.4-72.8-171.3-53.6-880.4112.3A260 E261 L262 R267 L268A260-R264 WeakPolarHBondContact O-CG 3.12Å; A260-R264 PolarHBondContact O-N 3.47Å; A260-R264 VanDerWaalsContact O-N 3.07Å; A260-R264 PolarHBondContact O-NH1 3.37Å; E261-R264 PolarHBondContact O-N 3.23Å; L262-R264 PolarHBondContact O-N 2.97Å; R264-R267 PolarHBondContact O-N 3.19Å; R264-L268 WeakPolarHBondContact O-CB 3.45Å; R264-L268 PolarHBondContact O-N 3.49Å
265S98.9Very high97.5Very high28 Ų2860.6 Ų60.620%0.19633%0.334CS..Hα-helixtrans-67.6-40-177.4-61.20000112.1E261 L262 V263 L268 V269E261-S265 VanDerWaalsContact O-CB 3.22Å; E261-S265 WeakPolarHBondContact O-CB 3.43Å; E261-S265 PolarHBondContact O-N 2.9Å; E261-S265 PolarHBondContact O-OG 3.22Å; L262-S265 PolarHBondContact O-N 3.35Å; V263-S265 PolarHBondContact O-N 2.89Å; S265-L268 WeakPolarHBondContact O-CB 3.35Å; S265-L268 PolarHBondContact O-N 2.93Å; S265-V269 WeakPolarHBondContact O-CG2 3.47Å; S265-V269 PolarHBondContact O-N 2.85Å
266V98.8Very high97.2Very high0 Ų062.8 Ų62.80%037%0.367CS..Hα-helixtrans-58.9-51.2172.9165.70000110.3C19 I21 V228 L262 V263 L268 V269 E270C19-V266 HydrophobicContact CB-CG1 4.06Å; I21-V266 HydrophobicContact CD1-CB 4.3Å; I21-V266 HydrophobicContact CD1-CG1 4.2Å; I21-V266 HydrophobicContact CD1-CG2 4.49Å; V228-V266 HydrophobicContact CG1-CG1 4.28Å; V228-V266 HydrophobicContact CG2-CG1 4.12Å; V228-V266 HydrophobicContact CG2-CG2 3.95Å; L262-V266 HydrophobicContact CD1-CG2 3.89Å; L262-V266 HydrophobicContact CG-CG2 4.37Å; L262-V266 WeakPolarHBondContact O-CB 3.48Å; L262-V266 VanDerWaalsContact O-CG2 3.3Å; L262-V266 WeakPolarHBondContact O-CG2 3.37Å; L262-V266 PolarHBondContact O-N 3.19Å; V263-V266 PolarHBondContact O-N 2.93Å; V266-L268 VanDerWaalsContact C-N 3.28Å; V266-L268 PolarHBondContact O-N 3.37Å; V266-V269 PolarHBondContact O-N 3.42Å; V266-E270 HydrophobicContact CG1-CG 4.41Å; V266-E270 VanDerWaalsContact O-CG 3.27Å; V266-E270 WeakPolarHBondContact O-CG 3.44Å; V266-E270 PolarHBondContact O-N 3.18Å
267R98.6Very high97Very high69 Ų6966.2 Ų66.226%0.2638%0.382SS..Hα-helixtrans-63.4-33.7179.7-61.9-68.6171.6-108.3-4.1112.7C19 D49 V263 R264 E270 R271C19-R267 PolarHBondContact O-NH1 3.49Å; C19-R267 PolarHBondContact O-NH2 3.2Å; D49-R267 IonicContact OD2-NH2 3.07Å; V263-R267 VanDerWaalsContact O-CG 3.29Å; V263-R267 WeakPolarHBondContact O-CG 3.49Å; V263-R267 PolarHBondContact O-N 3.21Å; V263-R267 VanDerWaalsContact O-N 3.11Å; R264-R267 PolarHBondContact O-N 3.19Å; R267-E270 WeakPolarHBondContact CD-OE2 3.46Å; R267-E270 IonicContact CZ-OE2 2.68Å; R267-E270 IonicContact NE-OE2 2.63Å; R267-E270 IonicContact NH1-OE1 2.71Å; R267-E270 IonicContact NH1-OE2 3.6Å; R267-E270 PolarHBondContact NH1-OE2 3.04Å; R267-R271 WeakPolarHBondContact O-CG 3.36Å; R267-R271 PolarHBondContact O-N 2.96Å
268L98.7Very high96.8Very high102 Ų10271.5 Ų71.553%0.53440%0.396SS..Hα-helixtrans-64-50.4173.2177.767000111.3R264 S265 V266 E270 R271 A272R264-L268 WeakPolarHBondContact O-CB 3.45Å; R264-L268 PolarHBondContact O-N 3.49Å; S265-L268 WeakPolarHBondContact O-CB 3.35Å; S265-L268 PolarHBondContact O-N 2.93Å; V266-L268 VanDerWaalsContact C-N 3.28Å; V266-L268 PolarHBondContact O-N 3.37Å; L268-E270 PolarHBondContact O-N 3.23Å; L268-R271 PolarHBondContact O-N 2.8Å; L268-A272 WeakPolarHBondContact O-CB 3.03Å; L268-A272 PolarHBondContact O-N 2.89Å
269V98.4Very high96.6Very high32 Ų3275 Ų7519%0.19441%0.412CS..Hα-helixtrans-63.8-41-179.3167.20000111.4V225 A229 S265 V266 R271 A272 L273V225-V269 HydrophobicContact CG1-CB 4.42Å; V225-V269 HydrophobicContact CG1-CG2 3.56Å; A229-V269 HydrophobicContact CB-CG1 4.02Å; S265-V269 WeakPolarHBondContact O-CG2 3.47Å; S265-V269 PolarHBondContact O-N 2.85Å; V266-V269 PolarHBondContact O-N 3.42Å; V269-R271 VanDerWaalsContact C-N 3.28Å; V269-R271 PolarHBondContact O-N 2.86Å; V269-A272 CarbonylContact O-C 3.59Å; V269-A272 WeakPolarHBondContact O-CA 3.34Å; V269-A272 PolarHBondContact O-N 2.79Å; V269-L273 HydrophobicContact CG1-CD1 4.4Å; V269-L273 HydrophobicContact CG1-CG 4.21Å; V269-L273 WeakPolarHBondContact O-CG 3.5Å; V269-L273 PolarHBondContact O-N 3Å
270E97.4Very high96.4Very high43 Ų4380.2 Ų80.220%0.20144%0.438CS..Hα-helixtrans-57.7-41.1176.8-72.5177.1135.200112.8P18 C19 V228 V266 R267 L268 A272P18-E270 WeakPolarHBondContact CA-OE1 3.31Å; C19-E270 WeakPolarHBondContact CB-OE1 3.48Å; C19-E270 PolarHBondContact N-OE1 3.11Å; V228-E270 HydrophobicContact CG1-CG 3.96Å; V266-E270 HydrophobicContact CG1-CG 4.41Å; V266-E270 VanDerWaalsContact O-CG 3.27Å; V266-E270 WeakPolarHBondContact O-CG 3.44Å; V266-E270 PolarHBondContact O-N 3.18Å; R267-E270 WeakPolarHBondContact CD-OE2 3.46Å; R267-E270 IonicContact CZ-OE2 2.68Å; R267-E270 IonicContact NE-OE2 2.63Å; R267-E270 IonicContact NH1-OE1 2.71Å; R267-E270 IonicContact NH1-OE2 3.6Å; R267-E270 PolarHBondContact NH1-OE2 3.04Å; L268-E270 PolarHBondContact O-N 3.23Å; E270-A272 VanDerWaalsContact C-N 3.34Å
271R96.6Very high96.3Very high201 Ų20183.2 Ų83.276%0.75845%0.451SS*.Hα-helixtrans-67.8-36.1173.4-72.1169.451.1-143.6-8.2112.1R267 L268 V269R267-R271 WeakPolarHBondContact O-CG 3.36Å; R267-R271 PolarHBondContact O-N 2.96Å; L268-R271 PolarHBondContact O-N 2.8Å; V269-R271 VanDerWaalsContact C-N 3.28Å; V269-R271 PolarHBondContact O-N 2.86Å
272A96.9Very high96.2Very high79 Ų7984.6 Ų84.665%0.65347%0.468SS*.Hα-helixtrans-75.9-27-177.500000113.6L268 V269 E270 G274L268-A272 WeakPolarHBondContact O-CB 3.03Å; L268-A272 PolarHBondContact O-N 2.89Å; V269-A272 CarbonylContact O-C 3.59Å; V269-A272 WeakPolarHBondContact O-CA 3.34Å; V269-A272 PolarHBondContact O-N 2.79Å; E270-A272 VanDerWaalsContact C-N 3.34Å; A272-G274 PolarHBondContact O-N 2.82Å
273L94.8Very high96Very high89 Ų8989.8 Ų89.847%0.46650%0.503SS..Hα-helixtrans-58.6-32.1-179.9-79.6172.7000112.8V269 S275V269-L273 HydrophobicContact CG1-CD1 4.4Å; V269-L273 HydrophobicContact CG1-CG 4.21Å; V269-L273 WeakPolarHBondContact O-CG 3.5Å; V269-L273 PolarHBondContact O-N 3Å; L273-S275 PolarHBondContact O-N 2.85Å
274G91Very high95.9Very high69 Ų6992.6 Ų92.671%0.71152%0.515SS*.  trans55.4-130.7169.200000114.2A272A272-G274 PolarHBondContact O-N 2.82Å
275S89.9Confident95.7Very high79 Ų7991.2 Ų91.255%0.55251%0.513SS*.  trans-123.5154.2-18086.70000111L273 I277L273-S275 PolarHBondContact O-N 2.85Å; S275-I277 PolarHBondContact O-N 2.9Å; S275-I277 PolarHBondContact OG-N 3.35Å
276G91.4Very high95.6Very high92 Ų9292.5 Ų92.595%0.94853%0.531SS*.SBendtrans-74.43.7173.100000115
277I95.3Very high95.5Very high118 Ų11896.1 Ų96.161%0.60556%0.555SS**  trans-90.3117.1-178.4-58.4174.2000109.2S275 Q279S275-I277 PolarHBondContact O-N 2.9Å; S275-I277 PolarHBondContact OG-N 3.35Å; I277-Q279 HydrophobicContact CG2-CB 4.5Å; I277-Q279 HydrophobicContact CG2-CG 4.36Å
278K95Very high95.3Very high184 Ų18496.5 Ų96.580%0.856%0.56SS**  trans-86.4115.4171.8-179.658.1177.2166.50109.7
279Q94.4Very high95Very high114 Ų11496.1 Ų96.153%0.53356%0.558SS.*  trans-150.3161.6178.260.5-173.9-9.500109.6I277 L281I277-Q279 HydrophobicContact CG2-CB 4.5Å; I277-Q279 HydrophobicContact CG2-CG 4.36Å; Q279-L281 HydrophobicContact CG-CD2 4.37Å; Q279-L281 PolarHBondContact O-N 2.67Å
280M94.2Very high94.8Very high108 Ų108102.1 Ų102.153%0.53258%0.582SS.*  trans-67.3129.1170.4-176.517768.500109.6E284 H288M280-E284 WeakPolarHBondContact CA-OE2 3.4Å; M280-E284 HydrophobicContact CG-CB 4.06Å; M280-H288 HydrophobicContact SD-CB 3.92Å
281L95.8Very high94.8Very high83 Ų83104.9 Ų104.944%0.43560%0.597SS.*  trans-92.3154.7178.9-60.3179.3000111.3Q279 C283 E284Q279-L281 HydrophobicContact CG-CD2 4.37Å; Q279-L281 PolarHBondContact O-N 2.67Å; L281-C283 PolarHBondContact O-N 2.86Å; L281-C283 VanDerWaalsContact O-N 3.15Å; L281-E284 HydrophobicContact CB-CG 4.29Å; L281-E284 WeakPolarHBondContact CB-OE2 3.2Å; L281-E284 PolarHBondContact N-OE2 3.08Å; L281-E284 WeakPolarHBondContact O-CB 3.49Å; L281-E284 PolarHBondContact O-N 3Å
282P96.7Very high94.7Very high122 Ų12295.9 Ų95.979%0.79257%0.567SS**G310 helixtrans-54.9-33.2174.5-27.935.8000113.9E284 K285P282-E284 VanDerWaalsContact C-N 3.25Å; P282-E284 PolarHBondContact O-N 2.87Å; P282-K285 WeakPolarHBondContact O-CB 3.29Å; P282-K285 PolarHBondContact O-N 2.9Å
283C96.1Very high94.7Very high109 Ų10997.6 Ų97.674%0.73656%0.56SS**G310 helixtrans-70.8-18.6176.558.90000113.7L281L281-C283 PolarHBondContact O-N 2.86Å; L281-C283 VanDerWaalsContact O-N 3.15Å
284E97Very high94.9Very high73 Ų7393.4 Ų93.434%0.34154%0.538SS..G310 helixtrans-84.3-19.3176.1-65.6176106.400111.8M280 L281 P282 G286 C287 H288M280-E284 WeakPolarHBondContact CA-OE2 3.4Å; M280-E284 HydrophobicContact CG-CB 4.06Å; L281-E284 HydrophobicContact CB-CG 4.29Å; L281-E284 WeakPolarHBondContact CB-OE2 3.2Å; L281-E284 PolarHBondContact N-OE2 3.08Å; L281-E284 WeakPolarHBondContact O-CB 3.49Å; L281-E284 PolarHBondContact O-N 3Å; P282-E284 VanDerWaalsContact C-N 3.25Å; P282-E284 PolarHBondContact O-N 2.87Å; E284-G286 PolarHBondContact O-N 2.84Å; E284-C287 WeakPolarHBondContact O-CA 3.32Å; E284-C287 WeakPolarHBondContact O-CB 3.43Å; E284-C287 PolarHBondContact O-N 3.36Å; E284-H288 PolarHBondContact O-N 3.25Å
285K94.6Very high95.2Very high122 Ų12290.1 Ų90.153%0.5350%0.504SS..Hα-helixtrans-54-48.1-172.6-178.2170.2-179.6168.90113.3P282 C287 H288 D289P282-K285 WeakPolarHBondContact O-CB 3.29Å; P282-K285 PolarHBondContact O-N 2.9Å; K285-C287 VanDerWaalsContact C-N 3.26Å; K285-C287 PolarHBondContact O-N 3.11Å; K285-H288 CarbonylContact O-C 3.56Å; K285-H288 WeakPolarHBondContact O-CB 3.35Å; K285-H288 PolarHBondContact O-N 3Å; K285-H288 VanDerWaalsContact O-N 3.15Å; K285-D289 WeakPolarHBondContact CE-OD2 3.41Å; K285-D289 WeakPolarHBondContact CG-OD2 3.46Å; K285-D289 WeakPolarHBondContact O-CB 3.5Å; K285-D289 PolarHBondContact O-N 3.46Å
286G95.4Very high95.6Very high55 Ų5586.4 Ų86.457%0.56748%0.478SS*.Hα-helixtrans-64.3-30.9179.200000113.6E284 K290E284-G286 PolarHBondContact O-N 2.84Å; G286-K290 WeakPolarHBondContact O-CB 3.41Å; G286-K290 PolarHBondContact O-N 3.44Å
287C96.6Very high95.9Very high75 Ų7582 Ų8251%0.50743%0.432SS..Hα-helixtrans-73.3-42.1173.8-167.80000110.8E284 K285 K290 L291E284-C287 WeakPolarHBondContact O-CA 3.32Å; E284-C287 WeakPolarHBondContact O-CB 3.43Å; E284-C287 PolarHBondContact O-N 3.36Å; K285-C287 VanDerWaalsContact C-N 3.26Å; K285-C287 PolarHBondContact O-N 3.11Å; C287-K290 PolarHBondContact O-N 2.76Å; C287-L291 WeakPolarHBondContact O-CB 3.47Å; C287-L291 PolarHBondContact O-N 2.88Å
288H94.3Very high96.1Very high78 Ų7881.6 Ų81.636%0.36143%0.426SS..Hα-helixtrans-61.8-46175.3179.1-82.3000111.9M280 E284 K285 K290 L291 G292M280-H288 HydrophobicContact SD-CB 3.92Å; E284-H288 PolarHBondContact O-N 3.25Å; K285-H288 CarbonylContact O-C 3.56Å; K285-H288 WeakPolarHBondContact O-CB 3.35Å; K285-H288 PolarHBondContact O-N 3Å; K285-H288 VanDerWaalsContact O-N 3.15Å; H288-K290 PolarHBondContact O-N 3.4Å; H288-L291 PolarHBondContact O-N 3.02Å; H288-G292 WeakPolarHBondContact O-CA 3.15Å; H288-G292 PolarHBondContact O-N 3.11Å
289D92.6Very high96.3Very high93 Ų9375.9 Ų75.950%0.49741%0.407SS..Hα-helixtrans-63.7-30.5179.4-63.4-12.9000111.3K285K285-D289 WeakPolarHBondContact CE-OD2 3.41Å; K285-D289 WeakPolarHBondContact CG-OD2 3.46Å; K285-D289 WeakPolarHBondContact O-CB 3.5Å; K285-D289 PolarHBondContact O-N 3.46Å
290K94.9Very high96.4Very high158 Ų15875.1 Ų75.169%0.68740%0.402SS*.Hα-helixtrans-83.8-39179.2-178.1-177.8175.9-178.60114.5G286 C287 H288 V316G286-K290 WeakPolarHBondContact O-CB 3.41Å; G286-K290 PolarHBondContact O-N 3.44Å; C287-K290 PolarHBondContact O-N 2.76Å; H288-K290 PolarHBondContact O-N 3.4Å; K290-V316 WeakPolarHBondContact O-CG1 3.5Å
291L96.4Very high96.6Very high102 Ų10270 Ų7053%0.53438%0.377SS..Hα-helixtrans-121.8-11.4-168.1-60.7178.9000113.6C287 H288 V316C287-L291 WeakPolarHBondContact O-CB 3.47Å; C287-L291 PolarHBondContact O-N 2.88Å; H288-L291 PolarHBondContact O-N 3.02Å; L291-V316 WeakPolarHBondContact O-CG2 3.1Å
292G95.8Very high96.7Very high11 Ų1169.1 Ų69.111%0.11338%0.376CS..  trans-59.3142.5174.800000110H288H288-G292 WeakPolarHBondContact O-CA 3.15Å; H288-G292 PolarHBondContact O-N 3.11Å
293K97.1Very high96.8Very high116 Ų11670.6 Ų70.650%0.50437%0.369SS..  trans-109.6145.8-176.9-61.1-170.6-178.9-178.60110.3V314 K315 V316 A324K293-V314 HydrophobicContact CB-CG1 3.51Å; K293-V314 HydrophobicContact CD-CG1 3.85Å; K293-V314 HydrophobicContact CG-CG1 4.34Å; K293-K315 CarbonylContact C-O 3.56Å; K293-K315 WeakPolarHBondContact CA-O 3.19Å; K293-K315 WeakPolarHBondContact CB-O 3.26Å; K293-V316 HydrophobicContact CG-CG2 3.88Å; K293-A324 HydrophobicContact CB-CB 4.48Å
294S97.7Very high96.8Very high0 Ų067.6 Ų67.60%036%0.357CS..EExtended strand (participates in β ladder)trans-129.3168.4173.455.10000110.1K315 A317 G321 V322S294-K315 PolarHBondContact N-O 2.74Å; S294-K315 PolarHBondContact O-N 2.7Å; S294-K315 VanDerWaalsContact O-N 3.11Å; S294-K315 VanDerWaalsContact O-O 3.13Å; S294-A317 WeakPolarHBondContact OG-CB 3.27Å; S294-G321 VanDerWaalsContact CB-N 3.29Å; S294-G321 PolarHBondContact OG-N 2.62Å; S294-V322 CarbonylContact C-O 3.55Å; S294-V322 VanDerWaalsContact CA-O 3.26Å; S294-V322 WeakPolarHBondContact CA-O 3.46Å; S294-V322 VanDerWaalsContact CB-O 3.23Å; S294-V322 WeakPolarHBondContact CB-O 3.08Å
295V98.3Very high96.9Very high0 Ų065.9 Ų65.90%035%0.352CS..EExtended strand (participates in β ladder)trans-72.1131.5175.4-173.40000109.7L312 A313 V322 I327 L330 V345V295-L312 HydrophobicContact CG1-CB 4.01Å; V295-L312 HydrophobicContact CG1-CD1 4.2Å; V295-L312 HydrophobicContact CG1-CD2 3.83Å; V295-L312 HydrophobicContact CG1-CG 4.23Å; V295-A313 WeakPolarHBondContact CA-O 3.05Å; V295-V322 HydrophobicContact CB-CB 4.39Å; V295-V322 HydrophobicContact CG2-CB 4.38Å; V295-V322 HydrophobicContact CG2-CG1 4.14Å; V295-V322 PolarHBondContact N-O 3.16Å; V295-I327 HydrophobicContact CG1-CD1 4.31Å; V295-I327 HydrophobicContact CG1-CG1 4.25Å; V295-I327 HydrophobicContact CG2-CB 3.73Å; V295-I327 HydrophobicContact CG2-CD1 4.28Å; V295-I327 HydrophobicContact CG2-CG1 3.94Å; V295-L330 HydrophobicContact CB-CD1 4.01Å; V295-L330 HydrophobicContact CG1-CD1 3.81Å; V295-L330 HydrophobicContact CG2-CD1 3.93Å; V295-V345 HydrophobicContact CB-CB 4.32Å; V295-V345 HydrophobicContact CG1-CB 4.18Å; V295-V345 HydrophobicContact CG1-CG2 3.91Å; V295-V345 PolarHBondContact O-N 3.14Å
296V98.5Very high97Very high1 Ų163.7 Ų63.71%0.00635%0.349CS..EExtended strand (participates in β ladder)trans-122.5157.4170.9-55.80000109.6K298 A313 K315 A317 D343V296-K298 PolarHBondContact O-N 3.45Å; V296-A313 HydrophobicContact CG2-CB 3.94Å; V296-A313 PolarHBondContact N-O 3.05Å; V296-A313 PolarHBondContact O-N 3.26Å; V296-K315 HydrophobicContact CG1-CB 4.13Å; V296-K315 HydrophobicContact CG2-CB 4Å; V296-K315 HydrophobicContact CG2-CD 3.82Å; V296-K315 HydrophobicContact CG2-CG 3.68Å; V296-A317 HydrophobicContact CG1-CB 3.57Å; V296-D343 CarbonylContact C-O 3.46Å; V296-D343 WeakPolarHBondContact CA-O 3.34Å; V296-D343 WeakPolarHBondContact CB-O 3.37Å
297A98.4Very high97.1Very high0 Ų061.1 Ų61.10%032%0.322CS..EExtended strand (participates in β ladder)trans-70.3125.6171.200000109.4V299 I301 L339 E340 D342 D343A297-V299 VanDerWaalsContact C-N 3.35Å; A297-I301 HydrophobicContact CB-CD1 3.92Å; A297-I301 HydrophobicContact CB-CG1 4.26Å; A297-L339 HydrophobicContact CB-CB 4.14Å; A297-E340 WeakPolarHBondContact CB-O 3.49Å; A297-D342 WeakPolarHBondContact O-CA 3.36Å; A297-D342 PolarHBondContact O-N 3.04Å; A297-D343 PolarHBondContact N-O 3.31Å
298K98.4Very high97.2Very high110 Ų11059.9 Ų59.948%0.47831%0.312SS..SBendtrans-81.2-21.5177.1-171.6-177166.7-162.80112.3V296 D310 M311 A313V296-K298 PolarHBondContact O-N 3.45Å; K298-D310 WeakPolarHBondContact CD-O 3.23Å; K298-M311 WeakPolarHBondContact CB-O 3.36Å; K298-M311 PolarHBondContact N-O 3.44Å; K298-A313 HydrophobicContact CB-CB 4Å; K298-A313 HydrophobicContact CG-CB 4.26Å
299V98.3Very high97.4Very high64 Ų6460 Ų6039%0.38832%0.315SS..SBendtrans-143165.3-179.5-62.70000107.3A297 I301 M311A297-V299 VanDerWaalsContact C-N 3.35Å; V299-I301 HydrophobicContact CG2-CG1 4.45Å; V299-I301 WeakPolarHBondContact O-CG1 3.34Å; V299-I301 PolarHBondContact O-N 3.19Å; V299-M311 HydrophobicContact CG2-CB 4.22Å; V299-M311 HydrophobicContact CG2-CG 4.2Å
300K98.3Very high97.6Very high98 Ų9860.8 Ų60.843%0.42632%0.319SS..  trans-59.6130.9169-178.7174.3178.3125.80110.9E338 L339 E340K300-E338 VanDerWaalsContact CE-CD 3.42Å; K300-E338 WeakPolarHBondContact CE-OE1 3.4Å; K300-E338 WeakPolarHBondContact CE-OE2 3.03Å; K300-E338 IonicContact NZ-OE1 3.51Å; K300-E338 PolarHBondContact NZ-OE1 2.72Å; K300-E338 IonicContact NZ-OE2 2.79Å; K300-L339 CarbonylContact C-O 3.56Å; K300-L339 WeakPolarHBondContact CA-O 3.33Å; K300-E340 WeakPolarHBondContact CD-OE2 3.5Å; K300-E340 IonicContact NZ-OE1 2.8Å; K300-E340 PolarHBondContact NZ-OE1 3.43Å; K300-E340 IonicContact NZ-OE2 2.67Å
301I98.2Very high97.8Very high1 Ų155.2 Ų55.21%0.00530%0.296CS..BIsolated β-bridgetrans-122.3106.9-178.6-49.8-179.8000109.3A297 V299 T305 L307 M311 L312 V335 E338 L339A297-I301 HydrophobicContact CB-CD1 3.92Å; A297-I301 HydrophobicContact CB-CG1 4.26Å; V299-I301 HydrophobicContact CG2-CG1 4.45Å; V299-I301 WeakPolarHBondContact O-CG1 3.34Å; V299-I301 PolarHBondContact O-N 3.19Å; I301-T305 HydrophobicContact CG2-CG2 3.93Å; I301-L307 HydrophobicContact CD1-CD2 3.7Å; I301-L307 HydrophobicContact CG2-CD2 4.07Å; I301-M311 HydrophobicContact CD1-CB 3.89Å; I301-M311 HydrophobicContact CG1-CB 4.37Å; I301-L312 HydrophobicContact CD1-CD2 4.37Å; I301-V335 HydrophobicContact CG2-CG2 3.81Å; I301-E338 WeakPolarHBondContact O-CA 3.36Å; I301-L339 HydrophobicContact CB-CB 4.31Å; I301-L339 HydrophobicContact CD1-CD1 4.48Å; I301-L339 PolarHBondContact N-O 3.37Å; I301-L339 PolarHBondContact O-N 3.42Å
302P98.1Very high97.9Very high64 Ų6450.9 Ų50.942%0.41627%0.273SS..  trans-64.9151.4179.3-23.233.9000113.3G304 T305 V335P302-G304 PolarHBondContact O-N 3.37Å; P302-T305 WeakPolarHBondContact O-CB 3.44Å; P302-T305 PolarHBondContact O-N 3.09Å; P302-T305 VanDerWaalsContact O-N 3.13Å; P302-T305 PolarHBondContact O-OG1 3Å; P302-V335 WeakPolarHBondContact O-CG2 2.86Å
303K97.6Very high98Very high152 Ų15251.4 Ų51.466%0.66128%0.276SS*.THydrogen-bonded Turntrans-51.9136172.1174.2170.2177.9162.60111.9T305 T336K303-T305 VanDerWaalsContact C-N 3.29Å; K303-T336 VanDerWaalsContact CD-O 3.26Å; K303-T336 WeakPolarHBondContact CD-O 3.29Å; K303-T336 WeakPolarHBondContact CE-O 3.49Å; K303-T336 WeakPolarHBondContact CG-O 3.49Å; K303-T336 PolarHBondContact NZ-O 3.28Å
304G96.9Very high98.1Very high47 Ų4748.5 Ų48.549%0.48527%0.269SS..THydrogen-bonded Turntrans83.10.6-179.700000114.3P302 T334 V335P302-G304 PolarHBondContact O-N 3.37Å; G304-T334 VanDerWaalsContact C-CG2 3.45Å; G304-T334 WeakPolarHBondContact O-CG2 3.44Å; G304-V335 WeakPolarHBondContact CA-O 3.34Å; G304-V335 PolarHBondContact N-O 3.2Å
305T98Very high98.1Very high36 Ų3652.4 Ų52.422%0.22129%0.285CS..PPolyproline II helixtrans-71.7136.6176.4-57.70000111.1I301 P302 K303 M311 T334 V335I301-T305 HydrophobicContact CG2-CG2 3.93Å; P302-T305 WeakPolarHBondContact O-CB 3.44Å; P302-T305 PolarHBondContact O-N 3.09Å; P302-T305 VanDerWaalsContact O-N 3.13Å; P302-T305 PolarHBondContact O-OG1 3Å; K303-T305 VanDerWaalsContact C-N 3.29Å; T305-M311 HydrophobicContact CG2-CE 4.1Å; T305-M311 HydrophobicContact CG2-SD 4.05Å; T305-T334 VanDerWaalsContact O-CA 3.32Å; T305-T334 WeakPolarHBondContact O-CA 3.29Å; T305-V335 PolarHBondContact O-N 3.43Å
306V97.8Very high98.1Very high77 Ų7756 Ų5647%0.46731%0.308SS..BIsolated β-bridgetrans-79120169.1179.10000108.5K333V306-K333 CarbonylContact C-O 3.54Å; V306-K333 WeakPolarHBondContact CA-O 3.47Å
307L97.8Very high97.9Very high1 Ų156.9 Ų56.91%0.00531%0.314CS..PPolyproline II helixtrans-65.9131.8-177.1-68.3175.1000111.5I301 L312 L330 V331 G332 K333 V335 V350I301-L307 HydrophobicContact CD1-CD2 3.7Å; I301-L307 HydrophobicContact CG2-CD2 4.07Å; L307-L312 HydrophobicContact CD2-CD2 4.13Å; L307-L330 WeakPolarHBondContact CB-O 3.23Å; L307-L330 HydrophobicContact CD1-CB 3.97Å; L307-V331 WeakPolarHBondContact O-CA 3.34Å; L307-G332 PolarHBondContact O-N 3.08Å; L307-K333 PolarHBondContact N-O 3.25Å; L307-V335 HydrophobicContact CD1-CG1 3.96Å; L307-V335 HydrophobicContact CD2-CG1 3.69Å; L307-V335 HydrophobicContact CG-CG1 3.9Å; L307-V350 HydrophobicContact CD1-CG1 4.14Å; L307-V350 HydrophobicContact CD1-CG2 4.17Å
308T98.1Very high97.8Very high48 Ų4866 Ų6629%0.29436%0.357SS..  trans-113159.8166.663.50000109.9D310 M311T308-D310 VanDerWaalsContact C-N 3.27Å; T308-D310 WeakPolarHBondContact CB-OD1 3.5Å; T308-D310 PolarHBondContact O-N 3.32Å; T308-D310 PolarHBondContact OG1-OD1 3.48Å; T308-M311 HydrophobicContact CG2-CE 4.3Å; T308-M311 WeakPolarHBondContact O-CB 3.31Å; T308-M311 PolarHBondContact O-N 3.45Å; T308-M311 WeakPolarHBondContact OG1-CE 3.4Å; T308-M311 VanDerWaalsContact OG1-CG 3.31Å; T308-M311 WeakPolarHBondContact OG1-CG 3.36Å
309L98Very high97.6Very high82 Ų8264.6 Ų64.643%0.42936%0.359SS..G310 helixtrans-64-33.1-176.4-175.763.7000112.7M311 L312 I327 F328 V331L309-M311 PolarHBondContact O-N 2.79Å; L309-L312 PolarHBondContact O-N 2.84Å; L309-L312 VanDerWaalsContact O-N 3.14Å; L309-I327 HydrophobicContact CD1-CD1 4.1Å; L309-I327 HydrophobicContact CD1-CG1 4.06Å; L309-F328 HydrophobicContact CD1-CD1 4.18Å; L309-F328 HydrophobicContact CD1-CE1 4.02Å; L309-F328 HydrophobicContact CD2-CD1 4.39Å; L309-F328 HydrophobicContact CD2-CE1 3.81Å; L309-V331 HydrophobicContact CB-CG2 4.03Å; L309-V331 HydrophobicContact CD1-CG2 4.42Å
310D98.1Very high97.4Very high109 Ų10965 Ų6558%0.58336%0.358SS*.G310 helixtrans-69.8-16.4178.960.4-67.3000113.7K298 T308 L312K298-D310 WeakPolarHBondContact CD-O 3.23Å; T308-D310 VanDerWaalsContact C-N 3.27Å; T308-D310 WeakPolarHBondContact CB-OD1 3.5Å; T308-D310 PolarHBondContact O-N 3.32Å; T308-D310 PolarHBondContact OG1-OD1 3.48Å; D310-L312 VanDerWaalsContact C-N 3.33Å
311M98.4Very high97.3Very high41 Ų4160.7 Ų60.720%0.20234%0.341CS..G310 helixtrans-82.4-10.2172.4-63.7172.7-175.100113.1K298 V299 I301 T305 T308 L309K298-M311 WeakPolarHBondContact CB-O 3.36Å; K298-M311 PolarHBondContact N-O 3.44Å; V299-M311 HydrophobicContact CG2-CB 4.22Å; V299-M311 HydrophobicContact CG2-CG 4.2Å; I301-M311 HydrophobicContact CD1-CB 3.89Å; I301-M311 HydrophobicContact CG1-CB 4.37Å; T305-M311 HydrophobicContact CG2-CE 4.1Å; T305-M311 HydrophobicContact CG2-SD 4.05Å; T308-M311 HydrophobicContact CG2-CE 4.3Å; T308-M311 WeakPolarHBondContact O-CB 3.31Å; T308-M311 PolarHBondContact O-N 3.45Å; T308-M311 WeakPolarHBondContact OG1-CE 3.4Å; T308-M311 VanDerWaalsContact OG1-CG 3.31Å; T308-M311 WeakPolarHBondContact OG1-CG 3.36Å; L309-M311 PolarHBondContact O-N 2.79Å
312L98.4Very high97.2Very high10 Ų1060.6 Ų60.65%0.05234%0.341CS..EExtended strand (participates in β ladder)trans-112.6148.6-172-58.7177.7000111.3V295 I301 L307 L309 D310 I327 L330 V345V295-L312 HydrophobicContact CG1-CB 4.01Å; V295-L312 HydrophobicContact CG1-CD1 4.2Å; V295-L312 HydrophobicContact CG1-CD2 3.83Å; V295-L312 HydrophobicContact CG1-CG 4.23Å; I301-L312 HydrophobicContact CD1-CD2 4.37Å; L307-L312 HydrophobicContact CD2-CD2 4.13Å; L309-L312 PolarHBondContact O-N 2.84Å; L309-L312 VanDerWaalsContact O-N 3.14Å; D310-L312 VanDerWaalsContact C-N 3.33Å; L312-I327 HydrophobicContact CB-CD1 3.9Å; L312-I327 HydrophobicContact CB-CG1 4.2Å; L312-I327 HydrophobicContact CD1-CG1 3.94Å; L312-L330 HydrophobicContact CD1-CB 3.95Å; L312-L330 HydrophobicContact CD1-CD1 4.17Å; L312-V345 HydrophobicContact CD2-CG2 4.01Å
313A98.3Very high97.1Very high22 Ų2260 Ų6018%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-135.4166.6168.800000110.2V295 V296 K298V295-A313 WeakPolarHBondContact CA-O 3.05Å; V296-A313 HydrophobicContact CG2-CB 3.94Å; V296-A313 PolarHBondContact N-O 3.05Å; V296-A313 PolarHBondContact O-N 3.26Å; K298-A313 HydrophobicContact CB-CB 4Å; K298-A313 HydrophobicContact CG-CB 4.26Å
314V98.3Very high97Very high56 Ų5653.9 Ų53.934%0.33931%0.314SS..EExtended strand (participates in β ladder)trans-117.9113.3176.7173.90000108.6K293 A324 I327K293-V314 HydrophobicContact CB-CG1 3.51Å; K293-V314 HydrophobicContact CD-CG1 3.85Å; K293-V314 HydrophobicContact CG-CG1 4.34Å; V314-A324 HydrophobicContact CG1-CB 3.55Å; V314-A324 HydrophobicContact CG2-CB 4.17Å; V314-I327 HydrophobicContact CG2-CD1 3.66Å
315K97.9Very high97Very high81 Ų8158.7 Ų58.735%0.35232%0.324SS..EExtended strand (participates in β ladder)trans-131.2162.1-178.8-62.5-168.7-172.5-178.40110.2K293 S294 V296 A317 D342K293-K315 CarbonylContact C-O 3.56Å; K293-K315 WeakPolarHBondContact CA-O 3.19Å; K293-K315 WeakPolarHBondContact CB-O 3.26Å; S294-K315 PolarHBondContact N-O 2.74Å; S294-K315 PolarHBondContact O-N 2.7Å; S294-K315 VanDerWaalsContact O-N 3.11Å; S294-K315 VanDerWaalsContact O-O 3.13Å; V296-K315 HydrophobicContact CG1-CB 4.13Å; V296-K315 HydrophobicContact CG2-CB 4Å; V296-K315 HydrophobicContact CG2-CD 3.82Å; V296-K315 HydrophobicContact CG2-CG 3.68Å; K315-A317 PolarHBondContact O-N 3.33Å; K315-D342 WeakPolarHBondContact CE-OD1 3.45Å; K315-D342 IonicContact NZ-OD1 2.78Å; K315-D342 PolarHBondContact NZ-OD1 3.19Å; K315-D342 IonicContact NZ-OD2 3.75Å; K315-D342 PolarHBondContact NZ-OD2 3.2Å
316V97.6Very high96.9Very high77 Ų7758.8 Ų58.847%0.46732%0.323SS..  trans-70.6123.8159.1179.90000105.4K290 L291 K293K290-V316 WeakPolarHBondContact O-CG1 3.5Å; L291-V316 WeakPolarHBondContact O-CG2 3.1Å; K293-V316 HydrophobicContact CG-CG2 3.88Å
317A95.6Very high96.9Very high18 Ų1856 Ų5615%0.14931%0.306CS..  trans-136.9149.8-171.200000111.3S294 V296 K315 P319 S344S294-A317 WeakPolarHBondContact OG-CB 3.27Å; V296-A317 HydrophobicContact CG1-CB 3.57Å; K315-A317 PolarHBondContact O-N 3.33Å; A317-P319 CarbonylContact C-O 3.57Å; A317-S344 VanDerWaalsContact CB-OG 3.29Å; A317-S344 WeakPolarHBondContact CB-OG 2.77Å
318E95.1Very high96.8Very high192 Ų19262.8 Ų62.890%0.89734%0.335SS*.SBendtrans-135.5117.3176.9-171.7167-160.400108.3
319P94.9Very high96.7Very high81 Ų8165.8 Ų65.853%0.52635%0.346SS..SBendcis-65156.2-2.330.1-37.1000113.3A317 G321 S344 L346A317-P319 CarbonylContact C-O 3.57Å; P319-G321 PolarHBondContact O-N 3.13Å; P319-S344 VanDerWaalsContact O-CB 3.25Å; P319-S344 WeakPolarHBondContact O-CB 3.32Å; P319-S344 PolarHBondContact O-OG 2.89Å; P319-L346 HydrophobicContact CB-CD2 4.37Å; P319-L346 HydrophobicContact CG-CD2 3.98Å
320M94.6Very high96.7Very high72 Ų7261.9 Ų61.936%0.35533%0.326SS..  trans-69.9121.6176.4-168167.8-78.100110.1
321G95Very high96.6Very high7 Ų759.8 Ų59.87%0.07232%0.317CS..  trans-82.4-157177.600000113.5S294 P319 V345S294-G321 VanDerWaalsContact CB-N 3.29Å; S294-G321 PolarHBondContact OG-N 2.62Å; P319-G321 PolarHBondContact O-N 3.13Å; G321-V345 CarbonylContact C-O 3.51Å; G321-V345 VanDerWaalsContact CA-O 3.31Å; G321-V345 WeakPolarHBondContact CA-O 3.41Å
322V96.6Very high96.4Very high0 Ų060.2 Ų60.20%033%0.332CS..SBendtrans-53.1133.6172.4164.30000110.5S294 V295 D326 L330 V345 P347 Y353S294-V322 CarbonylContact C-O 3.55Å; S294-V322 VanDerWaalsContact CA-O 3.26Å; S294-V322 WeakPolarHBondContact CA-O 3.46Å; S294-V322 VanDerWaalsContact CB-O 3.23Å; S294-V322 WeakPolarHBondContact CB-O 3.08Å; V295-V322 HydrophobicContact CB-CB 4.39Å; V295-V322 HydrophobicContact CG2-CB 4.38Å; V295-V322 HydrophobicContact CG2-CG1 4.14Å; V295-V322 PolarHBondContact N-O 3.16Å; V322-D326 HydrophobicContact CG1-CB 3.84Å; V322-L330 HydrophobicContact CB-CD1 4.14Å; V322-L330 HydrophobicContact CG1-CD1 3.83Å; V322-L330 HydrophobicContact CG1-CD2 4.08Å; V322-L330 HydrophobicContact CG1-CG 4.17Å; V322-L330 HydrophobicContact CG2-CD1 4.44Å; V322-L330 HydrophobicContact CG2-CD2 4.17Å; V322-V345 WeakPolarHBondContact CG2-O 3.37Å; V322-V345 PolarHBondContact N-O 2.84Å; V322-P347 HydrophobicContact CG2-CB 4.4Å; V322-P347 HydrophobicContact CG2-CG 4.05Å; V322-Y353 HydrophobicContact CB-CE1 4.33Å; V322-Y353 HydrophobicContact CG1-CE1 4.1Å; V322-Y353 HydrophobicContact CG1-CE2 3.96Å; V322-Y353 VanDerWaalsContact CG1-CZ 3.49Å; V322-Y353 VanDerWaalsContact CG1-OH 3.22Å; V322-Y353 WeakPolarHBondContact CG1-OH 3.24Å; V322-Y353 HydrophobicContact CG2-CD1 3.88Å; V322-Y353 HydrophobicContact CG2-CE1 3.48Å; V322-Y353 VanDerWaalsContact CG2-CE1 3.48Å; V322-Y353 HydrophobicContact CG2-CE2 4.43Å
323P95.7Very high96.4Very high51 Ų5162.2 Ų62.233%0.33134%0.34SS..BIsolated β-bridgetrans-50.1140.5175.6-28.635.3000112.7E325 D326P323-E325 HydrophobicContact CB-CG 4.06Å; P323-E325 WeakPolarHBondContact CB-OE2 3.37Å; P323-E325 PolarHBondContact O-N 3.42Å; P323-D326 PolarHBondContact O-N 3.23Å
324A96.3Very high96.3Very high23 Ų2363.4 Ų63.419%0.1935%0.345CS..G310 helixtrans-59.5-33.7-176.500000113K293 V314 D326 I327K293-A324 HydrophobicContact CB-CB 4.48Å; V314-A324 HydrophobicContact CG1-CB 3.55Å; V314-A324 HydrophobicContact CG2-CB 4.17Å; A324-D326 PolarHBondContact O-N 3.27Å; A324-I327 WeakPolarHBondContact O-CB 2.98Å; A324-I327 VanDerWaalsContact O-CG2 3.27Å; A324-I327 WeakPolarHBondContact O-CG2 3.33Å; A324-I327 PolarHBondContact O-N 2.84Å
325E96Very high96.2Very high149 Ų14960.8 Ų60.870%0.69633%0.329SS*.G310 helixtrans-62.4-23.5176.157.5-97.8-12900113.6P323P323-E325 HydrophobicContact CB-CG 4.06Å; P323-E325 WeakPolarHBondContact CB-OE2 3.37Å; P323-E325 PolarHBondContact O-N 3.42Å
326D96.7Very high96.1Very high37 Ų3759.5 Ų59.520%0.19833%0.328CS..G310 helixtrans-932.6-177.2-67.8-28.7000112.7V322 P323 A324 F328 Q329 L330 Y353V322-D326 HydrophobicContact CG1-CB 3.84Å; P323-D326 PolarHBondContact O-N 3.23Å; A324-D326 PolarHBondContact O-N 3.27Å; D326-F328 PolarHBondContact O-N 3.17Å; D326-F328 VanDerWaalsContact O-N 3.11Å; D326-Q329 WeakPolarHBondContact O-CA 3.2Å; D326-Q329 VanDerWaalsContact O-CB 3.28Å; D326-Q329 WeakPolarHBondContact O-CB 3.29Å; D326-Q329 PolarHBondContact O-N 3.18Å; D326-Q329 PolarHBondContact OD1-NE2 3.13Å; D326-L330 PolarHBondContact O-N 3.1Å; D326-Y353 HydrophobicContact CB-CE2 4.02Å; D326-Y353 WeakPolarHBondContact CB-OH 3.21Å; D326-Y353 PolarHBondContact OD2-OH 3.37Å
327I97.2Very high96.1Very high19 Ų1961.3 Ų61.310%0.09733%0.331CS..Hα-helixtrans-51.9-39.2-177.5-170.3166.1000113.6V295 L309 L312 V314 A324 Q329 L330V295-I327 HydrophobicContact CG1-CD1 4.31Å; V295-I327 HydrophobicContact CG1-CG1 4.25Å; V295-I327 HydrophobicContact CG2-CB 3.73Å; V295-I327 HydrophobicContact CG2-CD1 4.28Å; V295-I327 HydrophobicContact CG2-CG1 3.94Å; L309-I327 HydrophobicContact CD1-CD1 4.1Å; L309-I327 HydrophobicContact CD1-CG1 4.06Å; L312-I327 HydrophobicContact CB-CD1 3.9Å; L312-I327 HydrophobicContact CB-CG1 4.2Å; L312-I327 HydrophobicContact CD1-CG1 3.94Å; V314-I327 HydrophobicContact CG2-CD1 3.66Å; A324-I327 WeakPolarHBondContact O-CB 2.98Å; A324-I327 VanDerWaalsContact O-CG2 3.27Å; A324-I327 WeakPolarHBondContact O-CG2 3.33Å; A324-I327 PolarHBondContact O-N 2.84Å; I327-Q329 VanDerWaalsContact C-N 3.31Å; I327-Q329 PolarHBondContact O-N 3.33Å; I327-L330 WeakPolarHBondContact O-CB 3.43Å; I327-L330 PolarHBondContact O-N 3.2Å
328F96.9Very high96.1Very high144 Ų14465.2 Ų65.263%0.63235%0.346SS*.Hα-helixtrans-72.5-25.1178.9-61.6-64.5000113L309 D326 L330 V331L309-F328 HydrophobicContact CD1-CD1 4.18Å; L309-F328 HydrophobicContact CD1-CE1 4.02Å; L309-F328 HydrophobicContact CD2-CD1 4.39Å; L309-F328 HydrophobicContact CD2-CE1 3.81Å; D326-F328 PolarHBondContact O-N 3.17Å; D326-F328 VanDerWaalsContact O-N 3.11Å; F328-L330 PolarHBondContact O-N 3.04Å; F328-V331 PolarHBondContact O-N 3.25Å
329Q96.3Very high96.2Very high111 Ų11156.5 Ų56.552%0.51931%0.306SS..Hα-helixtrans-71.3-18.6174.7-56.4179.930.800111.6D326 I327 K333D326-Q329 WeakPolarHBondContact O-CA 3.2Å; D326-Q329 VanDerWaalsContact O-CB 3.28Å; D326-Q329 WeakPolarHBondContact O-CB 3.29Å; D326-Q329 PolarHBondContact O-N 3.18Å; D326-Q329 PolarHBondContact OD1-NE2 3.13Å; I327-Q329 VanDerWaalsContact C-N 3.31Å; I327-Q329 PolarHBondContact O-N 3.33Å; Q329-K333 VanDerWaalsContact O-CD 3.28Å; Q329-K333 WeakPolarHBondContact O-CD 3.47Å; Q329-K333 WeakPolarHBondContact O-CE 3.47Å
330L96.2Very high96.4Very high0 Ų056.6 Ų56.60%030%0.3CS..Hα-helixtrans-77.8-27.1176-55.9-179.3000112.5V295 L307 L312 V322 D326 I327 F328 G332 K333 V345 V350 Y353V295-L330 HydrophobicContact CB-CD1 4.01Å; V295-L330 HydrophobicContact CG1-CD1 3.81Å; V295-L330 HydrophobicContact CG2-CD1 3.93Å; L307-L330 WeakPolarHBondContact CB-O 3.23Å; L307-L330 HydrophobicContact CD1-CB 3.97Å; L312-L330 HydrophobicContact CD1-CB 3.95Å; L312-L330 HydrophobicContact CD1-CD1 4.17Å; V322-L330 HydrophobicContact CB-CD1 4.14Å; V322-L330 HydrophobicContact CG1-CD1 3.83Å; V322-L330 HydrophobicContact CG1-CD2 4.08Å; V322-L330 HydrophobicContact CG1-CG 4.17Å; V322-L330 HydrophobicContact CG2-CD1 4.44Å; V322-L330 HydrophobicContact CG2-CD2 4.17Å; D326-L330 PolarHBondContact O-N 3.1Å; I327-L330 WeakPolarHBondContact O-CB 3.43Å; I327-L330 PolarHBondContact O-N 3.2Å; F328-L330 PolarHBondContact O-N 3.04Å; L330-G332 PolarHBondContact O-N 3.42Å; L330-K333 WeakPolarHBondContact O-CB 3.41Å; L330-K333 PolarHBondContact O-N 3.47Å; L330-V345 HydrophobicContact CD1-CG1 4.17Å; L330-V350 HydrophobicContact CD2-CB 4.39Å; L330-V350 HydrophobicContact CD2-CG1 3.97Å; L330-V350 HydrophobicContact CD2-CG2 4.22Å; L330-Y353 HydrophobicContact CD2-CD2 3.4Å; L330-Y353 VanDerWaalsContact CD2-CD2 3.4Å; L330-Y353 HydrophobicContact CD2-CE2 3.67Å; L330-Y353 HydrophobicContact CD2-CG 3.98Å
331V96.3Very high96.6Very high65 Ų6559.4 Ų59.439%0.39431%0.312SS..THydrogen-bonded Turntrans-62.2127.4-179.2-179.30000110.1L307 L309 F328 K333L307-V331 WeakPolarHBondContact O-CA 3.34Å; L309-V331 HydrophobicContact CB-CG2 4.03Å; L309-V331 HydrophobicContact CD1-CG2 4.42Å; F328-V331 PolarHBondContact O-N 3.25Å; V331-K333 VanDerWaalsContact C-N 3.29Å
332G95.8Very high96.7Very high50 Ų5062.9 Ų62.952%0.51533%0.329SS..THydrogen-bonded Turntrans84.4-6-17600000114.7L307 L330L307-G332 PolarHBondContact O-N 3.08Å; L330-G332 PolarHBondContact O-N 3.42Å
333K96.5Very high96.7Very high51 Ų5166.1 Ų66.122%0.22235%0.346CS..  trans-82.5160.1169.1-62.4-174.1177.7-77.60110.7V306 L307 Q329 L330 V331 V350 S352 Y353V306-K333 CarbonylContact C-O 3.54Å; V306-K333 WeakPolarHBondContact CA-O 3.47Å; L307-K333 PolarHBondContact N-O 3.25Å; Q329-K333 VanDerWaalsContact O-CD 3.28Å; Q329-K333 WeakPolarHBondContact O-CD 3.47Å; Q329-K333 WeakPolarHBondContact O-CE 3.47Å; L330-K333 WeakPolarHBondContact O-CB 3.41Å; L330-K333 PolarHBondContact O-N 3.47Å; V331-K333 VanDerWaalsContact C-N 3.29Å; K333-V350 HydrophobicContact CB-CG1 3.49Å; K333-V350 VanDerWaalsContact CB-CG1 3.49Å; K333-V350 HydrophobicContact CD-CG1 3.61Å; K333-V350 HydrophobicContact CG-CG1 4.19Å; K333-S352 PolarHBondContact NZ-O 2.74Å; K333-Y353 HydrophobicContact CD-CD2 4.37Å
334T97.1Very high96.9Very high47 Ų4764.5 Ų64.529%0.28834%0.336SS..BIsolated β-bridgetrans-106.9135.5-179-61.20000110.9G304 T305 D351G304-T334 VanDerWaalsContact C-CG2 3.45Å; G304-T334 WeakPolarHBondContact O-CG2 3.44Å; T305-T334 VanDerWaalsContact O-CA 3.32Å; T305-T334 WeakPolarHBondContact O-CA 3.29Å; T334-D351 WeakPolarHBondContact O-CB 3.48Å; T334-D351 PolarHBondContact O-N 2.7Å
335V96.6Very high96.9Very high1 Ų163.4 Ų63.41%0.00633%0.327CS..BIsolated β-bridgetrans-77.7135.4171.7-67.40000111.3I301 P302 G304 T305 L307 E337 L339 V349I301-V335 HydrophobicContact CG2-CG2 3.81Å; P302-V335 WeakPolarHBondContact O-CG2 2.86Å; G304-V335 WeakPolarHBondContact CA-O 3.34Å; G304-V335 PolarHBondContact N-O 3.2Å; T305-V335 PolarHBondContact O-N 3.43Å; L307-V335 HydrophobicContact CD1-CG1 3.96Å; L307-V335 HydrophobicContact CD2-CG1 3.69Å; L307-V335 HydrophobicContact CG-CG1 3.9Å; V335-E337 WeakPolarHBondContact CG2-O 3.5Å; V335-L339 HydrophobicContact CG1-CD1 4.01Å; V335-V349 CarbonylContact C-O 3.48Å; V335-V349 WeakPolarHBondContact CA-O 3.07Å
336T96.4Very high97Very high54 Ų5458.3 Ų58.333%0.33130%0.304SS..SBendtrans-88.6-11.7-179.554.60000113K303 V349 D351K303-T336 VanDerWaalsContact CD-O 3.26Å; K303-T336 WeakPolarHBondContact CD-O 3.29Å; K303-T336 WeakPolarHBondContact CE-O 3.49Å; K303-T336 WeakPolarHBondContact CG-O 3.49Å; K303-T336 PolarHBondContact NZ-O 3.28Å; T336-V349 PolarHBondContact N-O 3.47Å; T336-V349 WeakPolarHBondContact OG1-CA 3.4Å; T336-V349 PolarHBondContact OG1-O 2.8Å; T336-D351 HydrophobicContact CG2-CB 3.99Å
337E95.7Very high96.9Very high115 Ų11558.9 Ų58.954%0.53731%0.31SS..SBendtrans-135.1163.5-179.5-58.8-170.8173.600109.9V335 V349V335-E337 WeakPolarHBondContact CG2-O 3.5Å; E337-V349 HydrophobicContact CB-CB 4.48Å; E337-V349 HydrophobicContact CB-CG1 4.44Å
338E96.9Very high96.7Very high100 Ų10064.5 Ų64.547%0.46734%0.336SS..  trans-78.7141.1172.9175.5165.9105.600109.4K300 I301K300-E338 VanDerWaalsContact CE-CD 3.42Å; K300-E338 WeakPolarHBondContact CE-OE1 3.4Å; K300-E338 WeakPolarHBondContact CE-OE2 3.03Å; K300-E338 IonicContact NZ-OE1 3.51Å; K300-E338 PolarHBondContact NZ-OE1 2.72Å; K300-E338 IonicContact NZ-OE2 2.79Å; I301-E338 WeakPolarHBondContact O-CA 3.36Å
339L97.6Very high96.6Very high9 Ų958 Ų585%0.04731%0.308CS..BIsolated β-bridgetrans-120.7131.3174.4-59.9171.1000109.2A297 K300 I301 V335 D343 V345 V349A297-L339 HydrophobicContact CB-CB 4.14Å; K300-L339 CarbonylContact C-O 3.56Å; K300-L339 WeakPolarHBondContact CA-O 3.33Å; I301-L339 HydrophobicContact CB-CB 4.31Å; I301-L339 HydrophobicContact CD1-CD1 4.48Å; I301-L339 PolarHBondContact N-O 3.37Å; I301-L339 PolarHBondContact O-N 3.42Å; V335-L339 HydrophobicContact CG1-CD1 4.01Å; L339-D343 HydrophobicContact CB-CB 4.37Å; L339-D343 HydrophobicContact CD2-CB 4.36Å; L339-V345 HydrophobicContact CD1-CG1 4.47Å; L339-V345 HydrophobicContact CD1-CG2 4.05Å; L339-V349 HydrophobicContact CD1-CG2 4.3Å; L339-V349 HydrophobicContact CD2-CG2 4.02Å
340E98.3Very high96.4Very high84 Ų8452.9 Ų52.939%0.39328%0.284SS..  trans-78.4167.3169.7-64.7-62.1159.800111.2A297 K300 D342 D343A297-E340 WeakPolarHBondContact CB-O 3.49Å; K300-E340 WeakPolarHBondContact CD-OE2 3.5Å; K300-E340 IonicContact NZ-OE1 2.8Å; K300-E340 PolarHBondContact NZ-OE1 3.43Å; K300-E340 IonicContact NZ-OE2 2.67Å; E340-D342 PolarHBondContact O-N 2.9Å; E340-D343 WeakPolarHBondContact CB-OD2 3.22Å; E340-D343 PolarHBondContact N-OD2 2.83Å; E340-D343 WeakPolarHBondContact O-CB 3.49Å; E340-D343 PolarHBondContact O-N 3.39Å
341E97.8Very high96.1Very high130 Ų13056.6 Ų56.661%0.60730%0.304SS*.THydrogen-bonded Turntrans-58.3135.7170.4-178.5174.8174.200110.1D343E341-D343 PolarHBondContact O-N 3.12Å
342D97.4Very high95.4Very high80 Ų8056.5 Ų56.543%0.42831%0.306SS..THydrogen-bonded Turntrans700.7-176-74.5-7000117.3A297 K315 E340A297-D342 WeakPolarHBondContact O-CA 3.36Å; A297-D342 PolarHBondContact O-N 3.04Å; K315-D342 WeakPolarHBondContact CE-OD1 3.45Å; K315-D342 IonicContact NZ-OD1 2.78Å; K315-D342 PolarHBondContact NZ-OD1 3.19Å; K315-D342 IonicContact NZ-OD2 3.75Å; K315-D342 PolarHBondContact NZ-OD2 3.2Å; E340-D342 PolarHBondContact O-N 2.9Å
343D98.1Very high94.8Very high69 Ų6955.4 Ų55.437%0.36929%0.286SS..  trans-62.5144.7170.5-81.1-14.7000111.5V296 A297 L339 E340 E341 V345V296-D343 CarbonylContact C-O 3.46Å; V296-D343 WeakPolarHBondContact CA-O 3.34Å; V296-D343 WeakPolarHBondContact CB-O 3.37Å; A297-D343 PolarHBondContact N-O 3.31Å; L339-D343 HydrophobicContact CB-CB 4.37Å; L339-D343 HydrophobicContact CD2-CB 4.36Å; E340-D343 WeakPolarHBondContact CB-OD2 3.22Å; E340-D343 PolarHBondContact N-OD2 2.83Å; E340-D343 WeakPolarHBondContact O-CB 3.49Å; E340-D343 PolarHBondContact O-N 3.39Å; E341-D343 PolarHBondContact O-N 3.12Å; D343-V345 PolarHBondContact O-N 3.32Å
344S98.1Very high93.6Very high16 Ų1656.3 Ų56.311%0.11231%0.311CS..BIsolated β-bridgetrans-70.9129.7173.5-63.70000110.4A317 P319 L346A317-S344 VanDerWaalsContact CB-OG 3.29Å; A317-S344 WeakPolarHBondContact CB-OG 2.77Å; P319-S344 VanDerWaalsContact O-CB 3.25Å; P319-S344 WeakPolarHBondContact O-CB 3.32Å; P319-S344 PolarHBondContact O-OG 2.89Å; S344-L346 PolarHBondContact O-N 2.94Å
345V97.5Very high92.1Very high0 Ų061.4 Ų61.40%033%0.329CS..  trans-78.795.4173.3-175.50000107.3V295 L312 G321 V322 L330 L339 D343 V349 V350V295-V345 HydrophobicContact CB-CB 4.32Å; V295-V345 HydrophobicContact CG1-CB 4.18Å; V295-V345 HydrophobicContact CG1-CG2 3.91Å; V295-V345 PolarHBondContact O-N 3.14Å; L312-V345 HydrophobicContact CD2-CG2 4.01Å; G321-V345 CarbonylContact C-O 3.51Å; G321-V345 VanDerWaalsContact CA-O 3.31Å; G321-V345 WeakPolarHBondContact CA-O 3.41Å; V322-V345 WeakPolarHBondContact CG2-O 3.37Å; V322-V345 PolarHBondContact N-O 2.84Å; L330-V345 HydrophobicContact CD1-CG1 4.17Å; L339-V345 HydrophobicContact CD1-CG1 4.47Å; L339-V345 HydrophobicContact CD1-CG2 4.05Å; D343-V345 PolarHBondContact O-N 3.32Å; V345-V349 HydrophobicContact CG1-CG2 4.47Å; V345-V350 HydrophobicContact CG1-CG2 3.45Å; V345-V350 VanDerWaalsContact CG1-CG2 3.45Å
346L97Very high89.7Confident42 Ų4270.7 Ų70.722%0.2237%0.369CS..  trans-74.7147.7-179.5-60.2178.8000111.3P319 S344 E348 V349P319-L346 HydrophobicContact CB-CD2 4.37Å; P319-L346 HydrophobicContact CG-CD2 3.98Å; S344-L346 PolarHBondContact O-N 2.94Å; L346-E348 HydrophobicContact CB-CG 4.06Å; L346-E348 PolarHBondContact O-N 3.12Å; L346-E348 VanDerWaalsContact O-N 3.15Å; L346-V349 HydrophobicContact CB-CG1 4.28Å; L346-V349 HydrophobicContact CB-CG2 4.48Å; L346-V349 WeakPolarHBondContact O-CG2 3.31Å; L346-V349 PolarHBondContact O-N 3.42Å; L346-V349 VanDerWaalsContact O-N 3.15Å
347P94.9Very high87Confident49 Ų4972.2 Ų72.232%0.31839%0.387SS..G310 helixtrans-52.6-37178.1-2935.9000114.5V322 Y353V322-P347 HydrophobicContact CG2-CB 4.4Å; V322-P347 HydrophobicContact CG2-CG 4.05Å; P347-Y353 HydrophobicContact CB-CD1 3.79Å; P347-Y353 HydrophobicContact CB-CE1 3.9Å; P347-Y353 HydrophobicContact CG-CE1 4.24Å
348E93.9Very high84.1Confident137 Ų13776.9 Ų76.964%0.6441%0.406SS*.G310 helixtrans-71.8-23.1-177.654-93.3-143.500114.4L346 V350L346-E348 HydrophobicContact CB-CG 4.06Å; L346-E348 PolarHBondContact O-N 3.12Å; L346-E348 VanDerWaalsContact O-N 3.15Å; E348-V350 VanDerWaalsContact C-N 3.33Å
349V93.4Very high81.2Confident8 Ų881.2 Ų81.25%0.04845%0.445CS..G310 helixtrans-89.4-1-179-49.20000112.8V335 T336 E337 L339 V345 L346V335-V349 CarbonylContact C-O 3.48Å; V335-V349 WeakPolarHBondContact CA-O 3.07Å; T336-V349 PolarHBondContact N-O 3.47Å; T336-V349 WeakPolarHBondContact OG1-CA 3.4Å; T336-V349 PolarHBondContact OG1-O 2.8Å; E337-V349 HydrophobicContact CB-CB 4.48Å; E337-V349 HydrophobicContact CB-CG1 4.44Å; L339-V349 HydrophobicContact CD1-CG2 4.3Å; L339-V349 HydrophobicContact CD2-CG2 4.02Å; V345-V349 HydrophobicContact CG1-CG2 4.47Å; L346-V349 HydrophobicContact CB-CG1 4.28Å; L346-V349 HydrophobicContact CB-CG2 4.48Å; L346-V349 WeakPolarHBondContact O-CG2 3.31Å; L346-V349 PolarHBondContact O-N 3.42Å; L346-V349 VanDerWaalsContact O-N 3.15Å
350V93.3Very high80.3Confident4 Ų484.9 Ų84.92%0.02447%0.465CS..BIsolated β-bridgetrans-112.7116.5178.7-173.90000109.8L307 L330 K333 V345 E348 S352 Y353L307-V350 HydrophobicContact CD1-CG1 4.14Å; L307-V350 HydrophobicContact CD1-CG2 4.17Å; L330-V350 HydrophobicContact CD2-CB 4.39Å; L330-V350 HydrophobicContact CD2-CG1 3.97Å; L330-V350 HydrophobicContact CD2-CG2 4.22Å; K333-V350 HydrophobicContact CB-CG1 3.49Å; K333-V350 VanDerWaalsContact CB-CG1 3.49Å; K333-V350 HydrophobicContact CD-CG1 3.61Å; K333-V350 HydrophobicContact CG-CG1 4.19Å; V345-V350 HydrophobicContact CG1-CG2 3.45Å; V345-V350 VanDerWaalsContact CG1-CG2 3.45Å; E348-V350 VanDerWaalsContact C-N 3.33Å; V350-S352 PolarHBondContact O-N 3.14Å; V350-Y353 WeakPolarHBondContact O-CB 3.32Å; V350-Y353 PolarHBondContact O-N 2.63Å
351D89.7Confident79.4Confident78 Ų7884.9 Ų84.942%0.41747%0.469SS..THydrogen-bonded Turntrans-61.9137.9-176.9-171.531.2000111.7T334 T336 Y353T334-D351 WeakPolarHBondContact O-CB 3.48Å; T334-D351 PolarHBondContact O-N 2.7Å; T336-D351 HydrophobicContact CG2-CB 3.99Å; D351-Y353 PolarHBondContact O-N 3.32Å
352S80.6Confident78.4Confident62 Ų6282.4 Ų82.443%0.43446%0.461SS..THydrogen-bonded Turntrans56.517.9-180-57.90000114.8K333 V350K333-S352 PolarHBondContact NZ-O 2.74Å; V350-S352 PolarHBondContact O-N 3.14Å
353Y83.9Confident77.3Confident27 Ų2782.5 Ų82.511%0.10646%0.463CS..SBendtrans-81.8138.7168.2-176.3-97.5000110.1V322 D326 L330 K333 P347 V350 D351 K355V322-Y353 HydrophobicContact CB-CE1 4.33Å; V322-Y353 HydrophobicContact CG1-CE1 4.1Å; V322-Y353 HydrophobicContact CG1-CE2 3.96Å; V322-Y353 VanDerWaalsContact CG1-CZ 3.49Å; V322-Y353 VanDerWaalsContact CG1-OH 3.22Å; V322-Y353 WeakPolarHBondContact CG1-OH 3.24Å; V322-Y353 HydrophobicContact CG2-CD1 3.88Å; V322-Y353 HydrophobicContact CG2-CE1 3.48Å; V322-Y353 VanDerWaalsContact CG2-CE1 3.48Å; V322-Y353 HydrophobicContact CG2-CE2 4.43Å; D326-Y353 HydrophobicContact CB-CE2 4.02Å; D326-Y353 WeakPolarHBondContact CB-OH 3.21Å; D326-Y353 PolarHBondContact OD2-OH 3.37Å; L330-Y353 HydrophobicContact CD2-CD2 3.4Å; L330-Y353 VanDerWaalsContact CD2-CD2 3.4Å; L330-Y353 HydrophobicContact CD2-CE2 3.67Å; L330-Y353 HydrophobicContact CD2-CG 3.98Å; K333-Y353 HydrophobicContact CD-CD2 4.37Å; P347-Y353 HydrophobicContact CB-CD1 3.79Å; P347-Y353 HydrophobicContact CB-CE1 3.9Å; P347-Y353 HydrophobicContact CG-CE1 4.24Å; V350-Y353 WeakPolarHBondContact O-CB 3.32Å; V350-Y353 PolarHBondContact O-N 2.63Å; D351-Y353 PolarHBondContact O-N 3.32Å; Y353-K355 PolarHBondContact O-N 3.18Å
354G70.7Confident76Confident71 Ų7183.4 Ų83.473%0.73247%0.469SS*.SBendtrans69.4-16.8-178.400000116.7K356G354-K356 PolarHBondContact O-N 2.91Å
355K65.9Low74.5Confident153 Ų15387.9 Ų87.967%0.66549%0.493SS*.  trans-72.997168.3-67.3-180-174.4165.90108.4Y353 A357Y353-K355 PolarHBondContact O-N 3.18Å; K355-A357 PolarHBondContact O-N 3.06Å; K355-A357 VanDerWaalsContact O-N 3.14Å
356K46.2Very low72.8Confident197 Ų19794.1 Ų94.186%0.85753%0.528SS*.  trans-48.1124.8164.1-79.8-175.8176.7179.80107.6G354 K358G354-K356 PolarHBondContact O-N 2.91Å; K356-K358 PolarHBondContact O-N 2.96Å
357A39.5Very low71Confident86 Ų8698.2 Ų98.271%0.71155%0.551SS**  trans-50.9116.1167.400000107.1K355 C359K355-A357 PolarHBondContact O-N 3.06Å; K355-A357 VanDerWaalsContact O-N 3.14Å; A357-C359 PolarHBondContact O-N 3.01Å
358K35.6Very low69Low213 Ų213102.3 Ų102.393%0.92657%0.571SS**  trans-67.294.1164.5-76.2-175.9176.6-178.90105.5K356K356-K358 PolarHBondContact O-N 2.96Å
359C34.9Very low66.7Low191 Ų19199.1 Ų99.1100%1.29157%0.565SS**  trans-96.80159.1-71.60000108A357A357-C359 PolarHBondContact O-N 3.01Å

Retrieved 359 of 359 residues in 293.7 ms (Link to these results)

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