A0A077Z8V7_TRITR Loading...

Uridine 5' monophosphate synthase

AlphaFold DB , UniProt , Accession A0A077Z8V7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 441 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
1M71.2Confident83.3Confident116 Ų11655.9 Ų55.957%0.57128%0.28SS*.  0143.60-176.4-176.5-65.700109.4A5 L6 K9 L44 T48M1-A5 HydrophobicContact CG-CB 3.5Å; M1-A5 HydrophobicContact SD-CB 4.15Å; M1-L6 HydrophobicContact SD-CB 4.07Å; M1-L6 HydrophobicContact SD-CD1 4.15Å; M1-K9 HydrophobicContact CE-CG 4.49Å; M1-L44 HydrophobicContact CE-CD2 4.19Å; M1-T48 HydrophobicContact CB-CG2 4.11Å; M1-T48 WeakPolarHBondContact O-CG2 3.31Å
2S77.4Confident84Confident69 Ų6962.3 Ų62.348%0.48331%0.308SS..  trans-74.9162.4177.2740000111.6H4 A5 L6S2-H4 VanDerWaalsContact C-N 3.28Å; S2-H4 PolarHBondContact O-N 2.76Å; S2-A5 PolarHBondContact O-N 3.06Å; S2-A5 WeakPolarHBondContact OG-CB 3.1Å; S2-A5 PolarHBondContact OG-N 2.7Å; S2-L6 PolarHBondContact O-N 3.25Å
3R76.3Confident84.6Confident103 Ų10358.9 Ų58.939%0.38929%0.293SS..Hα-helixtrans-57-40.9176.8-172-175.3-164.4165.510.2112.7L7 L49 R152R3-L7 PolarHBondContact O-N 3.05Å; R3-L7 VanDerWaalsContact O-N 3.13Å; R3-L49 HydrophobicContact CG-CD2 4.29Å; R3-R152 PolarHBondContact NH2-O 2.91Å
4H83.7Confident85.1Confident105 Ų10555.7 Ų55.749%0.48628%0.283SS..Hα-helixtrans-69.4-44.4179.5-71.6158.1000111.9S2 L6 L7 D8 Y158S2-H4 VanDerWaalsContact C-N 3.28Å; S2-H4 PolarHBondContact O-N 2.76Å; H4-L6 VanDerWaalsContact C-N 3.26Å; H4-L6 PolarHBondContact O-N 2.87Å; H4-L7 WeakPolarHBondContact O-CB 3.27Å; H4-L7 PolarHBondContact O-N 3.34Å; H4-L7 VanDerWaalsContact O-N 3.1Å; H4-D8 PolarHBondContact O-N 2.95Å; H4-Y158 HydrophobicContact CB-CE1 4.47Å; H4-Y158 HydrophobicContact CB-CE2 3.73Å; H4-Y158 WeakPolarHBondContact CB-OH 3.49Å; H4-Y158 AromaticContact CD2-CD2 3.43Å; H4-Y158 VanDerWaalsContact CD2-CD2 3.43Å; H4-Y158 WeakPolarHBondContact CD2-CD2 3.2Å; H4-Y158 AromaticContact CD2-CE2 3.37Å; H4-Y158 WeakPolarHBondContact CD2-CE2 3.4Å; H4-Y158 AromaticContact CD2-CZ 3.94Å; H4-Y158 AromaticContact CG-CD2 3.98Å; H4-Y158 AromaticContact CG-CE2 3.44Å; H4-Y158 VanDerWaalsContact CG-CE2 3.44Å; H4-Y158 AromaticContact CG-CZ 3.87Å; H4-Y158 AromaticContact ND1-CE2 3.99Å; H4-Y158 AromaticContact NE2-CD2 3.73Å; H4-Y158 AromaticContact NE2-CE2 3.96Å; H4-Y158 PolarHBondContact O-OH 2.82Å
5A84.8Confident85.3Confident35 Ų3552 Ų5229%0.28926%0.264SS..Hα-helixtrans-61.9-34.1175.700000112.6M1 S2 D8 K9M1-A5 HydrophobicContact CG-CB 3.5Å; M1-A5 HydrophobicContact SD-CB 4.15Å; S2-A5 PolarHBondContact O-N 3.06Å; S2-A5 WeakPolarHBondContact OG-CB 3.1Å; S2-A5 PolarHBondContact OG-N 2.7Å; A5-D8 PolarHBondContact O-N 2.82Å; A5-K9 WeakPolarHBondContact O-CG 3.49Å; A5-K9 PolarHBondContact O-N 2.93Å; A5-K9 VanDerWaalsContact O-N 3.1Å
6L82.5Confident85.4Confident1 Ų149.3 Ų49.31%0.00525%0.25CC..Hα-helixtrans-66.3-44.1173.3-174.368.6000111.8M1 S2 H4 D8 K9 F10 L49M1-L6 HydrophobicContact SD-CB 4.07Å; M1-L6 HydrophobicContact SD-CD1 4.15Å; S2-L6 PolarHBondContact O-N 3.25Å; H4-L6 VanDerWaalsContact C-N 3.26Å; H4-L6 PolarHBondContact O-N 2.87Å; L6-D8 VanDerWaalsContact C-N 3.32Å; L6-D8 PolarHBondContact O-N 3.26Å; L6-K9 PolarHBondContact O-N 3.27Å; L6-F10 HydrophobicContact CD1-CD1 4.1Å; L6-F10 HydrophobicContact CD1-CE1 3.45Å; L6-F10 VanDerWaalsContact CD1-CE1 3.45Å; L6-F10 HydrophobicContact CD1-CZ 3.92Å; L6-F10 HydrophobicContact CD2-CE1 4.35Å; L6-F10 HydrophobicContact CD2-CE2 4.49Å; L6-F10 HydrophobicContact CD2-CZ 3.98Å; L6-F10 HydrophobicContact CG-CD1 4.19Å; L6-F10 HydrophobicContact CG-CE1 3.7Å; L6-F10 HydrophobicContact CG-CE2 4.38Å; L6-F10 HydrophobicContact CG-CZ 3.82Å; L6-F10 VanDerWaalsContact O-CD1 3.28Å; L6-F10 WeakPolarHBondContact O-CD1 3.21Å; L6-F10 WeakPolarHBondContact O-CG 3.33Å; L6-F10 PolarHBondContact O-N 2.69Å; L6-L49 HydrophobicContact CD2-CD1 3.85Å; L6-L49 HydrophobicContact CD2-CD2 4.16Å; L6-L49 HydrophobicContact CD2-CG 3.68Å
7L84.8Confident85.7Confident1 Ų149.2 Ų49.21%0.00525%0.248CC..Hα-helixtrans-61.2-41.2175.9-79.2171.9000111.8R3 H4 F10 F11 F16 L153 M155 Y158 F159R3-L7 PolarHBondContact O-N 3.05Å; R3-L7 VanDerWaalsContact O-N 3.13Å; H4-L7 WeakPolarHBondContact O-CB 3.27Å; H4-L7 PolarHBondContact O-N 3.34Å; H4-L7 VanDerWaalsContact O-N 3.1Å; L7-F10 PolarHBondContact O-N 2.63Å; L7-F11 PolarHBondContact O-N 2.87Å; L7-F16 HydrophobicContact CD2-CE2 3.96Å; L7-F16 HydrophobicContact CD2-CZ 4.01Å; L7-L153 HydrophobicContact CD1-CD2 4.26Å; L7-L153 HydrophobicContact CD2-CD2 3.45Å; L7-L153 VanDerWaalsContact CD2-CD2 3.45Å; L7-L153 HydrophobicContact CG-CD2 3.81Å; L7-M155 HydrophobicContact CD2-CB 3.94Å; L7-Y158 HydrophobicContact CB-CD1 3.77Å; L7-Y158 HydrophobicContact CB-CE1 3.65Å; L7-Y158 HydrophobicContact CD1-CD1 3.66Å; L7-Y158 HydrophobicContact CD1-CE1 4.23Å; L7-Y158 HydrophobicContact CD1-CG 4.09Å; L7-Y158 HydrophobicContact CG-CD1 4.34Å; L7-F159 HydrophobicContact CB-CE1 3.95Å; L7-F159 HydrophobicContact CB-CZ 4.09Å; L7-F159 HydrophobicContact CD2-CZ 3.92Å; L7-F159 VanDerWaalsContact O-CE1 3.31Å; L7-F159 WeakPolarHBondContact O-CE1 3.28Å; L7-F159 WeakPolarHBondContact O-CZ 3.39Å
8D88.6Confident85.9Confident44 Ų4448.8 Ų48.824%0.23524%0.244CC..Hα-helixtrans-59.7-46.4175.7-74.7-21.6000111.6H4 A5 L6 F11 E12 Y158 K164H4-D8 PolarHBondContact O-N 2.95Å; A5-D8 PolarHBondContact O-N 2.82Å; L6-D8 VanDerWaalsContact C-N 3.32Å; L6-D8 PolarHBondContact O-N 3.26Å; D8-F11 WeakPolarHBondContact O-CB 3.45Å; D8-F11 PolarHBondContact O-N 3.36Å; D8-E12 PolarHBondContact O-N 2.84Å; D8-Y158 VanDerWaalsContact OD1-CE1 3.31Å; D8-Y158 WeakPolarHBondContact OD1-CE1 3.47Å; D8-Y158 PolarHBondContact OD1-OH 2.93Å; D8-Y158 PolarHBondContact OD2-OH 3.38Å; D8-K164 WeakPolarHBondContact OD1-CE 3.3Å; D8-K164 IonicContact OD1-NZ 2.63Å; D8-K164 PolarHBondContact OD1-NZ 3.3Å; D8-K164 IonicContact OD2-NZ 3.85Å
9K89.5Confident86.1Confident85 Ų8547.3 Ų47.337%0.3724%0.243SC..Hα-helixtrans-64.6-41176.7-75.6-74.6166.5-1570112.5M1 A5 L6 F11 E12 V13 L44M1-K9 HydrophobicContact CE-CG 4.49Å; A5-K9 WeakPolarHBondContact O-CG 3.49Å; A5-K9 PolarHBondContact O-N 2.93Å; A5-K9 VanDerWaalsContact O-N 3.1Å; L6-K9 PolarHBondContact O-N 3.27Å; K9-F11 PolarHBondContact O-N 3.06Å; K9-E12 WeakPolarHBondContact CD-OE2 3.46Å; K9-E12 WeakPolarHBondContact CE-OE2 3.36Å; K9-E12 IonicContact NZ-OE2 3.84Å; K9-E12 PolarHBondContact NZ-OE2 2.83Å; K9-E12 PolarHBondContact O-N 2.82Å; K9-V13 VanDerWaalsContact O-CG2 3.25Å; K9-V13 WeakPolarHBondContact O-CG2 3.43Å; K9-V13 PolarHBondContact O-N 2.96Å; K9-L44 HydrophobicContact CB-CD1 3.79Å; K9-L44 HydrophobicContact CB-CD2 3.43Å; K9-L44 VanDerWaalsContact CB-CD2 3.43Å; K9-L44 HydrophobicContact CB-CG 4.26Å; K9-L44 HydrophobicContact CD-CD2 4.14Å; K9-L44 HydrophobicContact CG-CD2 3.72Å
10F88.3Confident86.4Confident0 Ų051.3 Ų51.30%026%0.26CS..Hα-helixtrans-59.8-38.3174.2-77.814.2000111.7L6 L7 G14 V15 F16 L38 L44 I132L6-F10 HydrophobicContact CD1-CD1 4.1Å; L6-F10 HydrophobicContact CD1-CE1 3.45Å; L6-F10 VanDerWaalsContact CD1-CE1 3.45Å; L6-F10 HydrophobicContact CD1-CZ 3.92Å; L6-F10 HydrophobicContact CD2-CE1 4.35Å; L6-F10 HydrophobicContact CD2-CE2 4.49Å; L6-F10 HydrophobicContact CD2-CZ 3.98Å; L6-F10 HydrophobicContact CG-CD1 4.19Å; L6-F10 HydrophobicContact CG-CE1 3.7Å; L6-F10 HydrophobicContact CG-CE2 4.38Å; L6-F10 HydrophobicContact CG-CZ 3.82Å; L6-F10 VanDerWaalsContact O-CD1 3.28Å; L6-F10 WeakPolarHBondContact O-CD1 3.21Å; L6-F10 WeakPolarHBondContact O-CG 3.33Å; L6-F10 PolarHBondContact O-N 2.69Å; L7-F10 PolarHBondContact O-N 2.63Å; F10-G14 PolarHBondContact O-N 2.95Å; F10-V15 HydrophobicContact CB-CB 4.03Å; F10-V15 HydrophobicContact CB-CG1 4.37Å; F10-V15 HydrophobicContact CB-CG2 4.39Å; F10-V15 HydrophobicContact CD2-CG1 4.26Å; F10-V15 HydrophobicContact CG-CB 4.42Å; F10-V15 HydrophobicContact CG-CG1 4.44Å; F10-V15 HydrophobicContact CG-CG2 4.45Å; F10-V15 VanDerWaalsContact O-CB 3.31Å; F10-V15 WeakPolarHBondContact O-CB 3.49Å; F10-V15 PolarHBondContact O-N 3.33Å; F10-F16 HydrophobicContact CB-CD2 3.79Å; F10-F16 HydrophobicContact CB-CE2 3.36Å; F10-F16 HydrophobicContact CB-CZ 4.4Å; F10-F16 AromaticContact CD2-CE2 3.79Å; F10-F16 HydrophobicContact CD2-CE2 3.79Å; F10-F16 HydrophobicContact CD2-CZ 4.05Å; F10-F16 HydrophobicContact CG-CE2 4.09Å; F10-L38 HydrophobicContact CD1-CD2 3.78Å; F10-L38 HydrophobicContact CE1-CD1 3.91Å; F10-L38 HydrophobicContact CE1-CD2 3.61Å; F10-L38 HydrophobicContact CE1-CG 4.43Å; F10-L38 HydrophobicContact CE2-CD1 4.35Å; F10-L38 HydrophobicContact CZ-CD1 3.74Å; F10-L38 HydrophobicContact CZ-CD2 4.3Å; F10-L44 HydrophobicContact CD1-CB 4.48Å; F10-L44 HydrophobicContact CE1-CB 4.09Å; F10-L44 WeakPolarHBondContact CE1-O 3.32Å; F10-I132 HydrophobicContact CE2-CD1 3.7Å; F10-I132 HydrophobicContact CZ-CD1 4.49Å
11F89.5Confident86.5Confident56 Ų5651 Ų5125%0.24626%0.258CS..Hα-helixtrans-66-48.4174.7-170.2-82.2000111.3L7 D8 K9 V13 G14 F16 F18 F159 K164 V165L7-F11 PolarHBondContact O-N 2.87Å; D8-F11 WeakPolarHBondContact O-CB 3.45Å; D8-F11 PolarHBondContact O-N 3.36Å; K9-F11 PolarHBondContact O-N 3.06Å; F11-V13 VanDerWaalsContact C-N 3.33Å; F11-V13 PolarHBondContact O-N 2.95Å; F11-G14 PolarHBondContact O-N 2.71Å; F11-F16 HydrophobicContact CD2-CB 4.47Å; F11-F18 HydrophobicContact CD2-CE2 4.15Å; F11-F18 HydrophobicContact CE2-CD2 4.18Å; F11-F18 AromaticContact CE2-CE2 3.61Å; F11-F18 HydrophobicContact CE2-CE2 3.61Å; F11-F159 HydrophobicContact CB-CD1 4.35Å; F11-F159 HydrophobicContact CB-CE1 3.77Å; F11-F159 HydrophobicContact CB-CZ 4.09Å; F11-F159 AromaticContact CD2-CD1 3.94Å; F11-F159 HydrophobicContact CD2-CD1 3.94Å; F11-F159 HydrophobicContact CD2-CD2 4.25Å; F11-F159 HydrophobicContact CD2-CE1 4.06Å; F11-F159 HydrophobicContact CD2-CE2 4.35Å; F11-F159 HydrophobicContact CD2-CG 4.05Å; F11-F159 HydrophobicContact CD2-CZ 4.26Å; F11-F159 HydrophobicContact CG-CD1 4.42Å; F11-F159 HydrophobicContact CG-CE1 4.3Å; F11-K164 HydrophobicContact CB-CD 4.15Å; F11-K164 HydrophobicContact CD1-CB 4.23Å; F11-K164 HydrophobicContact CD1-CD 3.8Å; F11-K164 HydrophobicContact CD1-CG 4.34Å; F11-K164 HydrophobicContact CD2-CB 4.1Å; F11-K164 HydrophobicContact CD2-CD 4.29Å; F11-K164 HydrophobicContact CE1-CB 3.94Å; F11-K164 HydrophobicContact CE1-CD 4.31Å; F11-K164 HydrophobicContact CE1-CG 4.35Å; F11-K164 HydrophobicContact CE2-CB 3.79Å; F11-K164 HydrophobicContact CG-CB 4.32Å; F11-K164 HydrophobicContact CG-CD 3.81Å; F11-K164 HydrophobicContact CZ-CB 3.73Å; F11-K164 WeakPolarHBondContact CZ-O 3.45Å; F11-V165 HydrophobicContact CE2-CG2 4.12Å
12E92.1Very high87.1Confident132 Ų13250.8 Ų50.862%0.61726%0.263SS*.Hα-helixtrans-56.9-42.8178.3-79.1-179.1166.200112.9D8 K9 G14D8-E12 PolarHBondContact O-N 2.84Å; K9-E12 WeakPolarHBondContact CD-OE2 3.46Å; K9-E12 WeakPolarHBondContact CE-OE2 3.36Å; K9-E12 IonicContact NZ-OE2 3.84Å; K9-E12 PolarHBondContact NZ-OE2 2.83Å; K9-E12 PolarHBondContact O-N 2.82Å; E12-G14 PolarHBondContact O-N 2.73Å
13V91.6Very high86.9Confident19 Ų1948.4 Ų48.412%0.11524%0.244CC..THydrogen-bonded Turntrans-82.44.3-179.8-57.40000113.2K9 F11 V15 R37 L38 Y41 L44K9-V13 VanDerWaalsContact O-CG2 3.25Å; K9-V13 WeakPolarHBondContact O-CG2 3.43Å; K9-V13 PolarHBondContact O-N 2.96Å; F11-V13 VanDerWaalsContact C-N 3.33Å; F11-V13 PolarHBondContact O-N 2.95Å; V13-V15 HydrophobicContact CG2-CG2 3.77Å; V13-V15 PolarHBondContact O-N 3.38Å; V13-R37 WeakPolarHBondContact O-CD 3.32Å; V13-L38 HydrophobicContact CG2-CD2 4.27Å; V13-Y41 HydrophobicContact CB-CD2 3.89Å; V13-Y41 HydrophobicContact CB-CE2 3.61Å; V13-Y41 HydrophobicContact CG1-CD1 3.85Å; V13-Y41 HydrophobicContact CG1-CD2 3.7Å; V13-Y41 HydrophobicContact CG1-CE1 3.66Å; V13-Y41 HydrophobicContact CG1-CE2 3.52Å; V13-Y41 HydrophobicContact CG1-CG 3.88Å; V13-Y41 VanDerWaalsContact CG1-CZ 3.48Å; V13-Y41 HydrophobicContact CG2-CD2 4.32Å; V13-Y41 HydrophobicContact CG2-CE2 4.48Å; V13-L44 HydrophobicContact CG1-CD1 3.83Å; V13-L44 HydrophobicContact CG2-CD1 4.08Å
14G91.1Very high86.3Confident14 Ų1452.7 Ų52.714%0.14427%0.266CS..THydrogen-bonded Turntrans70.926.117500000114.4F10 F11 E12 F16 Q17 R37F10-G14 PolarHBondContact O-N 2.95Å; F11-G14 PolarHBondContact O-N 2.71Å; E12-G14 PolarHBondContact O-N 2.73Å; G14-F16 PolarHBondContact O-N 3.11Å; G14-Q17 WeakPolarHBondContact O-CG 3.34Å; G14-Q17 PolarHBondContact O-NE2 2.95Å; G14-R37 WeakPolarHBondContact O-CD 3.36Å; G14-R37 PolarHBondContact O-NH1 3Å
15V87.6Confident85.5Confident0 Ų052.6 Ų52.60%028%0.276CS..SBendtrans-60.7-38.5168.91670000109.7F10 V13 I33 D34 L35 R37 L38F10-V15 HydrophobicContact CB-CB 4.03Å; F10-V15 HydrophobicContact CB-CG1 4.37Å; F10-V15 HydrophobicContact CB-CG2 4.39Å; F10-V15 HydrophobicContact CD2-CG1 4.26Å; F10-V15 HydrophobicContact CG-CB 4.42Å; F10-V15 HydrophobicContact CG-CG1 4.44Å; F10-V15 HydrophobicContact CG-CG2 4.45Å; F10-V15 VanDerWaalsContact O-CB 3.31Å; F10-V15 WeakPolarHBondContact O-CB 3.49Å; F10-V15 PolarHBondContact O-N 3.33Å; V13-V15 HydrophobicContact CG2-CG2 3.77Å; V13-V15 PolarHBondContact O-N 3.38Å; V15-I33 HydrophobicContact CG1-CG2 3.95Å; V15-I33 CarbonylContact O-C 3.52Å; V15-I33 VanDerWaalsContact O-CA 3.28Å; V15-I33 WeakPolarHBondContact O-CA 3.16Å; V15-D34 PolarHBondContact O-N 3.3Å; V15-L35 HydrophobicContact CG1-CD2 3.76Å; V15-R37 HydrophobicContact CG2-CB 4.27Å; V15-L38 HydrophobicContact CG2-CD2 3.6Å; V15-L38 HydrophobicContact CG2-CG 3.81Å
16F88.1Confident84.9Confident9 Ų953.5 Ų53.54%0.03929%0.288CS..EExtended strand (participates in β ladder)trans-96.3123.5174.8-60.8-72.1000110.4L7 F10 F11 G14 F18 I33 I132 M155 F159L7-F16 HydrophobicContact CD2-CE2 3.96Å; L7-F16 HydrophobicContact CD2-CZ 4.01Å; F10-F16 HydrophobicContact CB-CD2 3.79Å; F10-F16 HydrophobicContact CB-CE2 3.36Å; F10-F16 HydrophobicContact CB-CZ 4.4Å; F10-F16 AromaticContact CD2-CE2 3.79Å; F10-F16 HydrophobicContact CD2-CE2 3.79Å; F10-F16 HydrophobicContact CD2-CZ 4.05Å; F10-F16 HydrophobicContact CG-CE2 4.09Å; F11-F16 HydrophobicContact CD2-CB 4.47Å; G14-F16 PolarHBondContact O-N 3.11Å; F16-F18 HydrophobicContact CB-CE2 3.93Å; F16-F18 HydrophobicContact CB-CZ 4.28Å; F16-I33 HydrophobicContact CD1-CD1 3.88Å; F16-I33 HydrophobicContact CD1-CG1 3.74Å; F16-I33 HydrophobicContact CE1-CD1 3.59Å; F16-I33 HydrophobicContact CE1-CG1 3.91Å; F16-I33 HydrophobicContact CE1-CG2 4.49Å; F16-I132 HydrophobicContact CE1-CG2 4.27Å; F16-I132 HydrophobicContact CZ-CG2 4.24Å; F16-M155 HydrophobicContact CD1-SD 3.77Å; F16-M155 HydrophobicContact CE1-CB 4.33Å; F16-M155 HydrophobicContact CE1-CE 3.46Å; F16-M155 VanDerWaalsContact CE1-CE 3.46Å; F16-M155 HydrophobicContact CE1-CG 4.26Å; F16-M155 HydrophobicContact CE1-SD 3.17Å; F16-M155 WeakPolarHBondContact CE1-SD 3.25Å; F16-M155 HydrophobicContact CZ-CB 4.28Å; F16-M155 HydrophobicContact CZ-CE 3.79Å; F16-M155 HydrophobicContact CZ-SD 3.95Å; F16-F159 HydrophobicContact CB-CE2 4.12Å; F16-F159 AromaticContact CD1-CE2 3.97Å; F16-F159 HydrophobicContact CD1-CE2 3.97Å; F16-F159 HydrophobicContact CD2-CE1 4.48Å; F16-F159 AromaticContact CD2-CE2 3.32Å; F16-F159 HydrophobicContact CD2-CE2 3.32Å; F16-F159 AromaticContact CD2-CZ 3.27Å; F16-F159 HydrophobicContact CD2-CZ 3.27Å; F16-F159 HydrophobicContact CE1-CE2 4.28Å; F16-F159 AromaticContact CE2-CE2 3.6Å; F16-F159 HydrophobicContact CE2-CE2 3.6Å; F16-F159 AromaticContact CE2-CZ 3.37Å; F16-F159 HydrophobicContact CE2-CZ 3.37Å; F16-F159 AromaticContact CG-CE2 3.51Å; F16-F159 HydrophobicContact CG-CE2 3.51Å; F16-F159 AromaticContact CG-CZ 3.97Å; F16-F159 HydrophobicContact CG-CZ 3.97Å; F16-F159 HydrophobicContact CZ-CE2 4.09Å; F16-F159 HydrophobicContact CZ-CZ 4.2Å
17Q89.9Confident84.6Confident47 Ų4755.8 Ų55.822%0.2230%0.304CS..EExtended strand (participates in β ladder)trans-123.6129.5179.2-53.5176.711.500108.9G14 F21 V31 Y32G14-Q17 WeakPolarHBondContact O-CG 3.34Å; G14-Q17 PolarHBondContact O-NE2 2.95Å; Q17-F21 HydrophobicContact CB-CE1 4.15Å; Q17-F21 HydrophobicContact CB-CE2 4.21Å; Q17-F21 HydrophobicContact CB-CZ 3.51Å; Q17-F21 WeakPolarHBondContact O-CE2 3.31Å; Q17-V31 WeakPolarHBondContact O-CA 3.36Å; Q17-Y32 PolarHBondContact N-O 3.43Å; Q17-Y32 PolarHBondContact O-N 3.28Å
18F89.9Confident84.5Confident42 Ų4260.2 Ų60.218%0.18433%0.328CS..EExtended strand (participates in β ladder)trans-113.1135.5179.3-58.7-88.6000108.4F11 F16 V31 F159 V165 N169 V173F11-F18 HydrophobicContact CD2-CE2 4.15Å; F11-F18 HydrophobicContact CE2-CD2 4.18Å; F11-F18 AromaticContact CE2-CE2 3.61Å; F11-F18 HydrophobicContact CE2-CE2 3.61Å; F16-F18 HydrophobicContact CB-CE2 3.93Å; F16-F18 HydrophobicContact CB-CZ 4.28Å; F18-V31 HydrophobicContact CD1-CG2 4.47Å; F18-V31 HydrophobicContact CE1-CG2 4.23Å; F18-F159 HydrophobicContact CZ-CD2 4.03Å; F18-V165 HydrophobicContact CD1-CG2 4.02Å; F18-V165 HydrophobicContact CD2-CG2 3.76Å; F18-V165 HydrophobicContact CE1-CG2 3.66Å; F18-V165 HydrophobicContact CE2-CG2 3.4Å; F18-V165 VanDerWaalsContact CE2-CG2 3.4Å; F18-V165 HydrophobicContact CG-CG2 4.07Å; F18-V165 HydrophobicContact CZ-CG2 3.35Å; F18-N169 HydrophobicContact CB-CB 4.36Å; F18-V173 HydrophobicContact CD1-CG2 3.93Å; F18-V173 HydrophobicContact CE1-CG2 4.16Å
19G89.4Confident84.3Confident21 Ų2158.1 Ų58.122%0.21632%0.317CS..EExtended strand (participates in β ladder)trans154.2-155.7-168.400000109.8P30G19-P30 PolarHBondContact N-O 3.04Å; G19-P30 CarbonylContact O-C 3.14Å; G19-P30 WeakPolarHBondContact O-CA 3.1Å
20E91Very high84.3Confident126 Ų12654.6 Ų54.659%0.58930%0.303SS*.EExtended strand (participates in β ladder)trans-117.9117.3178.2-160.1169.5117.800109.9L28 R172E20-L28 HydrophobicContact CG-CB 4.43Å; E20-L28 HydrophobicContact CG-CD1 4.43Å; E20-L28 HydrophobicContact CG-CD2 4.14Å; E20-R172 IonicContact OE2-NH2 3.13Å; E20-R172 PolarHBondContact OE2-NH2 3.16Å; E20-R172 VanDerWaalsContact OE2-NH2 3.13Å
21F89.6Confident84.3Confident47 Ų4754.7 Ų54.721%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-123.5128.8-172.5-56.8-86.2000110.6Q17 L28 S29 Y32Q17-F21 HydrophobicContact CB-CE1 4.15Å; Q17-F21 HydrophobicContact CB-CE2 4.21Å; Q17-F21 HydrophobicContact CB-CZ 3.51Å; Q17-F21 WeakPolarHBondContact O-CE2 3.31Å; F21-L28 CarbonylContact O-C 3.54Å; F21-L28 WeakPolarHBondContact O-CA 3.42Å; F21-S29 WeakPolarHBondContact CD2-O 3.48Å; F21-S29 PolarHBondContact N-O 2.86Å; F21-S29 PolarHBondContact O-N 2.88Å; F21-Y32 HydrophobicContact CD1-CG 4.18Å; F21-Y32 HydrophobicContact CG-CG 4.38Å
22T83.8Confident84.1Confident111 Ų11155.6 Ų55.668%0.68131%0.305SS*.EExtended strand (participates in β ladder)trans-79.3123.3171.5-47.70000110.1
23L74.1Confident83.6Confident18 Ų1849.4 Ų49.49%0.09428%0.277CS..  trans-84.7165.1178.4-58.7178.8000111.5C25 G26 S27 Y176L23-C25 PolarHBondContact O-N 3.39Å; L23-C25 VanDerWaalsContact O-N 3.12Å; L23-G26 WeakPolarHBondContact O-CA 3.32Å; L23-G26 PolarHBondContact O-N 3.32Å; L23-S27 VanDerWaalsContact CB-O 3.29Å; L23-S27 WeakPolarHBondContact CB-O 3.19Å; L23-S27 WeakPolarHBondContact CD1-OG 3.37Å; L23-S27 VanDerWaalsContact CG-O 3.31Å; L23-S27 WeakPolarHBondContact CG-O 3.37Å; L23-S27 PolarHBondContact N-O 3.4Å; L23-Y176 VanDerWaalsContact CD1-OH 3.3Å; L23-Y176 WeakPolarHBondContact CD1-OH 3.15Å
24K63.5Low83.3Confident194 Ų19449.6 Ų49.684%0.84328%0.277SS*.THydrogen-bonded Turntrans-58-28.5177.5-161.5-175.4179.1-163.80113G26K24-G26 PolarHBondContact O-N 2.91Å
25C65.4Low82.7Confident102 Ų10249.5 Ų49.569%0.68927%0.273SS*.THydrogen-bonded Turntrans-836.817551.60000113.8L23 S27L23-C25 PolarHBondContact O-N 3.39Å; L23-C25 VanDerWaalsContact O-N 3.12Å; C25-S27 PolarHBondContact O-N 3.49Å; C25-S27 PolarHBondContact SG-OG 3.47Å
26G72.8Confident82.4Confident54 Ų5455.5 Ų55.556%0.55730%0.296SS*.SBendtrans80.8-13.9-178.400000114.7L23 K24L23-G26 WeakPolarHBondContact O-CA 3.32Å; L23-G26 PolarHBondContact O-N 3.32Å; K24-G26 PolarHBondContact O-N 2.91Å
27S75.6Confident82.3Confident49 Ų4960.1 Ų60.134%0.34331%0.313SS..  trans-72.3151.217862.90000112.3L23 C25L23-S27 VanDerWaalsContact CB-O 3.29Å; L23-S27 WeakPolarHBondContact CB-O 3.19Å; L23-S27 WeakPolarHBondContact CD1-OG 3.37Å; L23-S27 VanDerWaalsContact CG-O 3.31Å; L23-S27 WeakPolarHBondContact CG-O 3.37Å; L23-S27 PolarHBondContact N-O 3.4Å; C25-S27 PolarHBondContact O-N 3.49Å; C25-S27 PolarHBondContact SG-OG 3.47Å
28L84.2Confident81.9Confident94 Ų9457.9 Ų57.949%0.49230%0.302SS..EExtended strand (participates in β ladder)trans-83143.8174.9-62.2170.6000110.3E20 F21 Y176E20-L28 HydrophobicContact CG-CB 4.43Å; E20-L28 HydrophobicContact CG-CD1 4.43Å; E20-L28 HydrophobicContact CG-CD2 4.14Å; F21-L28 CarbonylContact O-C 3.54Å; F21-L28 WeakPolarHBondContact O-CA 3.42Å; L28-Y176 WeakPolarHBondContact O-CE2 3.22Å
29S83.9Confident81.4Confident1 Ų160.4 Ų60.41%0.00732%0.317CS..EExtended strand (participates in β ladder)trans-129.1135.2173.6-166.60000110.2F21 V31 Y176F21-S29 WeakPolarHBondContact CD2-O 3.48Å; F21-S29 PolarHBondContact N-O 2.86Å; F21-S29 PolarHBondContact O-N 2.88Å; S29-V31 PolarHBondContact O-N 3.49Å; S29-V31 PolarHBondContact OG-O 3.33Å; S29-Y176 WeakPolarHBondContact OG-CE1 3.42Å
30P89.2Confident81.2Confident11 Ų1163.9 Ų63.97%0.07134%0.338CS..EExtended strand (participates in β ladder)trans-75.3-5.9175.531.6-35.4000113.3G19 R172 V173 Y176G19-P30 PolarHBondContact N-O 3.04Å; G19-P30 CarbonylContact O-C 3.14Å; G19-P30 WeakPolarHBondContact O-CA 3.1Å; P30-R172 HydrophobicContact CB-CB 3.91Å; P30-V173 HydrophobicContact CB-CG2 3.92Å; P30-V173 HydrophobicContact CG-CB 4.38Å; P30-V173 HydrophobicContact CG-CG2 3.91Å; P30-Y176 VanDerWaalsContact CG-CB 3.48Å; P30-Y176 HydrophobicContact CG-CD1 4.19Å; P30-Y176 HydrophobicContact CG-CD2 4.35Å; P30-Y176 HydrophobicContact CG-CG 3.77Å
31V87.4Confident80.9Confident1 Ų162.3 Ų62.31%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-141.4134.8-17660.20000111.1Q17 F18 S29 L133 V173Q17-V31 WeakPolarHBondContact O-CA 3.36Å; F18-V31 HydrophobicContact CD1-CG2 4.47Å; F18-V31 HydrophobicContact CE1-CG2 4.23Å; S29-V31 PolarHBondContact O-N 3.49Å; S29-V31 PolarHBondContact OG-O 3.33Å; V31-L133 HydrophobicContact CG1-CD2 4.37Å; V31-V173 HydrophobicContact CB-CG1 4.28Å; V31-V173 HydrophobicContact CB-CG2 3.87Å; V31-V173 HydrophobicContact CG1-CG1 3.91Å; V31-V173 HydrophobicContact CG1-CG2 4.24Å
32Y85.3Confident80.3Confident75 Ų7563.1 Ų63.129%0.29434%0.337SS..EExtended strand (participates in β ladder)trans-123.4140.3171.2-174-109.1000110.1Q17 F21 D34 R36Q17-Y32 PolarHBondContact N-O 3.43Å; Q17-Y32 PolarHBondContact O-N 3.28Å; F21-Y32 HydrophobicContact CD1-CG 4.18Å; F21-Y32 HydrophobicContact CG-CG 4.38Å; Y32-D34 HydrophobicContact CD1-CB 4.24Å; Y32-D34 HydrophobicContact CE1-CB 3.81Å; Y32-R36 PolarHBondContact OH-NH2 2.93Å; Y32-R36 VanDerWaalsContact OH-NH2 3.08Å
33I83.1Confident79.9Confident3 Ų363.6 Ų63.62%0.01533%0.332CS..EExtended strand (participates in β ladder)trans-119.5120.5178.3-65.6177.7000108.7V15 F16 L35 V111 I132 L133 M155V15-I33 HydrophobicContact CG1-CG2 3.95Å; V15-I33 CarbonylContact O-C 3.52Å; V15-I33 VanDerWaalsContact O-CA 3.28Å; V15-I33 WeakPolarHBondContact O-CA 3.16Å; F16-I33 HydrophobicContact CD1-CD1 3.88Å; F16-I33 HydrophobicContact CD1-CG1 3.74Å; F16-I33 HydrophobicContact CE1-CD1 3.59Å; F16-I33 HydrophobicContact CE1-CG1 3.91Å; F16-I33 HydrophobicContact CE1-CG2 4.49Å; I33-L35 HydrophobicContact CG2-CD2 3.95Å; I33-L35 HydrophobicContact CG2-CG 4.27Å; I33-V111 HydrophobicContact CB-CG2 4.21Å; I33-I132 HydrophobicContact CD1-CG2 4.26Å; I33-I132 HydrophobicContact CG2-CG2 4.21Å; I33-L133 HydrophobicContact CD1-CB 3.15Å; I33-L133 HydrophobicContact CD1-CD1 4.17Å; I33-L133 HydrophobicContact CD1-CD2 3.44Å; I33-L133 VanDerWaalsContact CD1-CD2 3.44Å; I33-L133 HydrophobicContact CD1-CG 3.73Å; I33-L133 HydrophobicContact CG1-CB 4.5Å; I33-L133 HydrophobicContact CG1-CD2 4.14Å; I33-M155 HydrophobicContact CD1-CE 4.1Å; I33-M155 HydrophobicContact CD1-SD 3.75Å
34D83.9Confident80Confident22 Ų2262.9 Ų62.912%0.11833%0.328CS..  trans-117.187.6-179.4-162.3-12000111.4V15 Y32 R36 R37V15-D34 PolarHBondContact O-N 3.3Å; Y32-D34 HydrophobicContact CD1-CB 4.24Å; Y32-D34 HydrophobicContact CE1-CB 3.81Å; D34-R36 VanDerWaalsContact CG-NH2 3.31Å; D34-R36 PolarHBondContact O-N 3.41Å; D34-R36 WeakPolarHBondContact OD1-CB 3.38Å; D34-R36 WeakPolarHBondContact OD1-CG 3.33Å; D34-R36 IonicContact OD1-CZ 3.13Å; D34-R36 PolarHBondContact OD1-N 2.97Å; D34-R36 IonicContact OD1-NE 3.25Å; D34-R36 PolarHBondContact OD1-NE 3.35Å; D34-R36 IonicContact OD1-NH2 2.72Å; D34-R36 PolarHBondContact OD1-NH2 3.43Å; D34-R36 IonicContact OD2-CZ 2.81Å; D34-R36 IonicContact OD2-NE 3.28Å; D34-R36 IonicContact OD2-NH2 3.27Å; D34-R36 PolarHBondContact OD2-NH2 3.25Å; D34-R37 HydrophobicContact CB-CG 4.22Å; D34-R37 PolarHBondContact O-N 3.08Å
35L79.9Confident80.4Confident13 Ų1353.8 Ų53.87%0.06829%0.288CS..G310 helixtrans-66.8-13.7175.3-62.3-168.8000113.4V15 I33 R37 L38 L46 D110 I132V15-L35 HydrophobicContact CG1-CD2 3.76Å; I33-L35 HydrophobicContact CG2-CD2 3.95Å; I33-L35 HydrophobicContact CG2-CG 4.27Å; L35-R37 PolarHBondContact O-N 3.28Å; L35-L38 HydrophobicContact CD2-CD1 4.03Å; L35-L38 WeakPolarHBondContact O-CB 3.49Å; L35-L38 PolarHBondContact O-N 3.33Å; L35-L38 VanDerWaalsContact O-N 3.07Å; L35-L46 HydrophobicContact CD1-CD1 4.38Å; L35-D110 HydrophobicContact CD1-CB 3.51Å; L35-D110 HydrophobicContact CG-CB 3.71Å; L35-I132 HydrophobicContact CD1-CD1 4.19Å; L35-I132 HydrophobicContact CD1-CG1 3.98Å; L35-I132 HydrophobicContact CD2-CD1 3.73Å; L35-I132 HydrophobicContact CD2-CG1 4.17Å; L35-I132 HydrophobicContact CD2-CG2 4.36Å
36R80.9Confident80.8Confident125 Ų12549 Ų4947%0.47226%0.256SS..G310 helixtrans-65-23.9178.3-59.5168.6-71.4178.71.3111.3Y32 D34 L38 I39 Y65Y32-R36 PolarHBondContact OH-NH2 2.93Å; Y32-R36 VanDerWaalsContact OH-NH2 3.08Å; D34-R36 VanDerWaalsContact CG-NH2 3.31Å; D34-R36 PolarHBondContact O-N 3.41Å; D34-R36 WeakPolarHBondContact OD1-CB 3.38Å; D34-R36 WeakPolarHBondContact OD1-CG 3.33Å; D34-R36 IonicContact OD1-CZ 3.13Å; D34-R36 PolarHBondContact OD1-N 2.97Å; D34-R36 IonicContact OD1-NE 3.25Å; D34-R36 PolarHBondContact OD1-NE 3.35Å; D34-R36 IonicContact OD1-NH2 2.72Å; D34-R36 PolarHBondContact OD1-NH2 3.43Å; D34-R36 IonicContact OD2-CZ 2.81Å; D34-R36 IonicContact OD2-NE 3.28Å; D34-R36 IonicContact OD2-NH2 3.27Å; D34-R36 PolarHBondContact OD2-NH2 3.25Å; R36-L38 PolarHBondContact O-N 3.4Å; R36-I39 HydrophobicContact CB-CD1 4.4Å; R36-I39 WeakPolarHBondContact O-CB 3.44Å; R36-I39 WeakPolarHBondContact O-CD1 3.44Å; R36-I39 VanDerWaalsContact O-CG1 3.28Å; R36-I39 WeakPolarHBondContact O-CG1 3.32Å; R36-I39 PolarHBondContact O-N 2.7Å; R36-Y65 WeakPolarHBondContact CG-O 3.38Å
37R85.6Confident80.8Confident107 Ų10749.6 Ų49.640%0.40424%0.241SC..G310 helixtrans-62.8-27.8175-59.8-171.9114.4154.17.9112.5V13 G14 V15 D34 L35 I39 S40 Y41V13-R37 WeakPolarHBondContact O-CD 3.32Å; G14-R37 WeakPolarHBondContact O-CD 3.36Å; G14-R37 PolarHBondContact O-NH1 3Å; V15-R37 HydrophobicContact CG2-CB 4.27Å; D34-R37 HydrophobicContact CB-CG 4.22Å; D34-R37 PolarHBondContact O-N 3.08Å; L35-R37 PolarHBondContact O-N 3.28Å; R37-I39 PolarHBondContact O-N 2.59Å; R37-S40 PolarHBondContact O-N 2.89Å; R37-Y41 WeakPolarHBondContact O-CD2 3.42Å
38L81.4Confident80.5Confident0 Ų048.6 Ų48.60%023%0.233CC..G310 helixtrans-67.6-15.5178.4-61.8-180000113.4F10 V13 V15 L35 R36 S40 Y41 L44 A67F10-L38 HydrophobicContact CD1-CD2 3.78Å; F10-L38 HydrophobicContact CE1-CD1 3.91Å; F10-L38 HydrophobicContact CE1-CD2 3.61Å; F10-L38 HydrophobicContact CE1-CG 4.43Å; F10-L38 HydrophobicContact CE2-CD1 4.35Å; F10-L38 HydrophobicContact CZ-CD1 3.74Å; F10-L38 HydrophobicContact CZ-CD2 4.3Å; V13-L38 HydrophobicContact CG2-CD2 4.27Å; V15-L38 HydrophobicContact CG2-CD2 3.6Å; V15-L38 HydrophobicContact CG2-CG 3.81Å; L35-L38 HydrophobicContact CD2-CD1 4.03Å; L35-L38 WeakPolarHBondContact O-CB 3.49Å; L35-L38 PolarHBondContact O-N 3.33Å; L35-L38 VanDerWaalsContact O-N 3.07Å; R36-L38 PolarHBondContact O-N 3.4Å; L38-S40 PolarHBondContact O-N 3.02Å; L38-Y41 CarbonylContact O-C 3.29Å; L38-Y41 VanDerWaalsContact O-C 3.29Å; L38-Y41 PolarHBondContact O-N 3Å; L38-L44 HydrophobicContact CD2-CB 3.94Å; L38-A67 HydrophobicContact CB-CB 4.06Å; L38-A67 HydrophobicContact CD1-CB 4.15Å
39I79.8Confident79.8Confident94 Ų9444.2 Ų44.248%0.48221%0.21SC..G310 helixtrans-61.3-30.7175.2-59.6168.8000110.7R36 R37 Y41R36-I39 HydrophobicContact CB-CD1 4.4Å; R36-I39 WeakPolarHBondContact O-CB 3.44Å; R36-I39 WeakPolarHBondContact O-CD1 3.44Å; R36-I39 VanDerWaalsContact O-CG1 3.28Å; R36-I39 WeakPolarHBondContact O-CG1 3.32Å; R36-I39 PolarHBondContact O-N 2.7Å; R37-I39 PolarHBondContact O-N 2.59Å; I39-Y41 VanDerWaalsContact C-N 3.3Å
40S85.2Confident79.5Confident94 Ų9444.4 Ų44.466%0.65721%0.211SC*.G310 helixtrans-83.2-2.9176.1-56.60000114.1R37 L38R37-S40 PolarHBondContact O-N 2.89Å; L38-S40 PolarHBondContact O-N 3.02Å
41Y85Confident78.9Confident93 Ų9349.7 Ų49.737%0.36524%0.235SC..  trans-138.171.7-176.8-57.1-84.9000110.6V13 R37 L38 I39 E43 L44V13-Y41 HydrophobicContact CB-CD2 3.89Å; V13-Y41 HydrophobicContact CB-CE2 3.61Å; V13-Y41 HydrophobicContact CG1-CD1 3.85Å; V13-Y41 HydrophobicContact CG1-CD2 3.7Å; V13-Y41 HydrophobicContact CG1-CE1 3.66Å; V13-Y41 HydrophobicContact CG1-CE2 3.52Å; V13-Y41 HydrophobicContact CG1-CG 3.88Å; V13-Y41 VanDerWaalsContact CG1-CZ 3.48Å; V13-Y41 HydrophobicContact CG2-CD2 4.32Å; V13-Y41 HydrophobicContact CG2-CE2 4.48Å; R37-Y41 WeakPolarHBondContact O-CD2 3.42Å; L38-Y41 CarbonylContact O-C 3.29Å; L38-Y41 VanDerWaalsContact O-C 3.29Å; L38-Y41 PolarHBondContact O-N 3Å; I39-Y41 VanDerWaalsContact C-N 3.3Å; Y41-E43 WeakPolarHBondContact CA-OE2 3.48Å; Y41-E43 PolarHBondContact O-N 3.04Å; Y41-E43 VanDerWaalsContact O-N 3.16Å; Y41-L44 HydrophobicContact CD1-CD1 4.4Å; Y41-L44 HydrophobicContact CG-CD1 4.05Å; Y41-L44 WeakPolarHBondContact O-CB 3.41Å; Y41-L44 PolarHBondContact O-N 2.86Å
42P76.1Confident78.1Confident64 Ų6454.5 Ų54.542%0.41626%0.261SS..G310 helixtrans-57-30.6-176.6-20.631.4000113.3L44 L45P42-L44 PolarHBondContact O-N 3.24Å; P42-L44 VanDerWaalsContact O-N 3.16Å; P42-L45 HydrophobicContact CB-CD1 4.16Å; P42-L45 WeakPolarHBondContact O-CB 3.45Å; P42-L45 WeakPolarHBondContact O-CD1 3.47Å; P42-L45 WeakPolarHBondContact O-CG 3.3Å; P42-L45 PolarHBondContact O-N 3.48Å; P42-L45 VanDerWaalsContact O-N 3.16Å
43E75.8Confident77.4Confident122 Ų12253.5 Ų53.557%0.5726%0.26SS*.G310 helixtrans-65.3-17.5176.875.5-72.6176.600113.6Y41Y41-E43 WeakPolarHBondContact CA-OE2 3.48Å; Y41-E43 PolarHBondContact O-N 3.04Å; Y41-E43 VanDerWaalsContact O-N 3.16Å
44L76.3Confident77.1Confident2 Ų262.8 Ų62.81%0.0130%0.301CS..G310 helixtrans-96.710.4179.1-57.1-175.6000112.6M1 K9 F10 V13 L38 Y41 P42M1-L44 HydrophobicContact CE-CD2 4.19Å; K9-L44 HydrophobicContact CB-CD1 3.79Å; K9-L44 HydrophobicContact CB-CD2 3.43Å; K9-L44 VanDerWaalsContact CB-CD2 3.43Å; K9-L44 HydrophobicContact CB-CG 4.26Å; K9-L44 HydrophobicContact CD-CD2 4.14Å; K9-L44 HydrophobicContact CG-CD2 3.72Å; F10-L44 HydrophobicContact CD1-CB 4.48Å; F10-L44 HydrophobicContact CE1-CB 4.09Å; F10-L44 WeakPolarHBondContact CE1-O 3.32Å; V13-L44 HydrophobicContact CG1-CD1 3.83Å; V13-L44 HydrophobicContact CG2-CD1 4.08Å; L38-L44 HydrophobicContact CD2-CB 3.94Å; Y41-L44 HydrophobicContact CD1-CD1 4.4Å; Y41-L44 HydrophobicContact CG-CD1 4.05Å; Y41-L44 WeakPolarHBondContact O-CB 3.41Å; Y41-L44 PolarHBondContact O-N 2.86Å; P42-L44 PolarHBondContact O-N 3.24Å; P42-L44 VanDerWaalsContact O-N 3.16Å
45L71.7Confident77Confident4 Ų462.9 Ų62.92%0.02130%0.301CS..SBendtrans-63.1154.4-179.2-69.1166.6000112.7P42 W47 A67 A70 L71 D74P42-L45 HydrophobicContact CB-CD1 4.16Å; P42-L45 WeakPolarHBondContact O-CB 3.45Å; P42-L45 WeakPolarHBondContact O-CD1 3.47Å; P42-L45 WeakPolarHBondContact O-CG 3.3Å; P42-L45 PolarHBondContact O-N 3.48Å; P42-L45 VanDerWaalsContact O-N 3.16Å; L45-W47 PolarHBondContact O-N 3.38Å; L45-A67 HydrophobicContact CD2-CB 3.72Å; L45-A67 WeakPolarHBondContact CD2-O 3.04Å; L45-A70 HydrophobicContact CD1-CB 3.72Å; L45-A70 HydrophobicContact CD2-CB 3.83Å; L45-A70 HydrophobicContact CG-CB 4.42Å; L45-L71 HydrophobicContact CB-CD1 4.1Å; L45-D74 HydrophobicContact CD1-CB 4.34Å
46L72.9Confident77Confident2 Ų266.1 Ų66.11%0.0133%0.325CS..THydrogen-bonded Turntrans-58.6-1.7-174.3-88.2111.2000115.6L35 T48 L49 I50 A67 V108 L130 I132L35-L46 HydrophobicContact CD1-CD1 4.38Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3Å; L46-L49 HydrophobicContact CD2-CD1 3.85Å; L46-L49 HydrophobicContact CG-CD1 4.14Å; L46-L49 WeakPolarHBondContact O-CA 3.32Å; L46-L49 WeakPolarHBondContact O-CB 3.39Å; L46-L49 PolarHBondContact O-N 3.08Å; L46-I50 PolarHBondContact O-N 3.23Å; L46-A67 HydrophobicContact CD1-CB 4.21Å; L46-V108 HydrophobicContact CD1-CG1 4.15Å; L46-V108 HydrophobicContact CD2-CG1 3.75Å; L46-V108 HydrophobicContact CG-CG1 4.5Å; L46-L130 HydrophobicContact CB-CD2 4.44Å; L46-L130 HydrophobicContact CD2-CD2 3.42Å; L46-L130 VanDerWaalsContact CD2-CD2 3.42Å; L46-L130 HydrophobicContact CD2-CG 4Å; L46-I132 HydrophobicContact CD1-CD1 4.21Å; L46-I132 HydrophobicContact CD2-CD1 3.79Å; L46-I132 HydrophobicContact CD2-CG1 4.03Å; L46-I132 HydrophobicContact CG-CD1 4.1Å
47W74.4Confident77.3Confident65 Ų6562.2 Ų62.225%0.24631%0.311CS..Hα-helixtrans-56.2-39.3-176.5-174.4-122.1000113.7L45 L49 I50 Q51 L71 H75 L77L45-W47 PolarHBondContact O-N 3.38Å; W47-L49 PolarHBondContact O-N 3.1Å; W47-I50 HydrophobicContact CE3-CB 4.17Å; W47-I50 HydrophobicContact CE3-CD1 4.12Å; W47-I50 HydrophobicContact CE3-CG2 4.17Å; W47-I50 HydrophobicContact CZ3-CG2 4.02Å; W47-I50 WeakPolarHBondContact O-CB 3.13Å; W47-I50 PolarHBondContact O-N 2.98Å; W47-Q51 HydrophobicContact CD2-CG 4.1Å; W47-Q51 HydrophobicContact CG-CG 4.26Å; W47-Q51 HydrophobicContact CZ2-CG 4.16Å; W47-Q51 VanDerWaalsContact CZ2-NE2 3.29Å; W47-Q51 WeakPolarHBondContact O-CG 3.14Å; W47-Q51 PolarHBondContact O-N 2.79Å; W47-L71 HydrophobicContact CB-CD1 3.62Å; W47-L71 HydrophobicContact CE3-CD1 4.34Å; W47-L71 VanDerWaalsContact N-CD1 3.31Å; W47-H75 VanDerWaalsContact CB-CD2 3.5Å; W47-H75 WeakPolarHBondContact CB-CD2 3.15Å; W47-H75 WeakPolarHBondContact CB-NE2 3.39Å; W47-H75 AromaticContact CD1-CD2 3.91Å; W47-H75 AromaticContact CD1-CE1 3.39Å; W47-H75 AromaticContact CD1-ND1 3.89Å; W47-H75 AromaticContact CD1-NE2 3.35Å; W47-H75 HydrophobicContact CD2-CB 4.35Å; W47-H75 AromaticContact CD2-CD2 3.43Å; W47-H75 VanDerWaalsContact CD2-CD2 3.43Å; W47-H75 AromaticContact CD2-CG 3.67Å; W47-H75 AromaticContact CD2-NE2 3.7Å; W47-H75 AromaticContact CE2-CG 3.85Å; W47-H75 AromaticContact CE2-ND1 3.96Å; W47-H75 HydrophobicContact CE3-CB 4.28Å; W47-H75 AromaticContact CE3-CD2 3.74Å; W47-H75 AromaticContact CG-CD2 3.34Å; W47-H75 AromaticContact CG-CE1 3.61Å; W47-H75 AromaticContact CG-CG 3.91Å; W47-H75 AromaticContact CG-NE2 3.08Å; W47-H75 HydrophobicContact CH2-CB 4.4Å; W47-H75 HydrophobicContact CZ2-CB 4.44Å; W47-H75 HydrophobicContact CZ3-CB 4.33Å; W47-H75 AromaticContact NE1-CE1 3.78Å; W47-H75 AromaticContact NE1-ND1 3.82Å; W47-L77 HydrophobicContact CE3-CD1 3.9Å; W47-L77 HydrophobicContact CH2-CD1 4.36Å; W47-L77 HydrophobicContact CH2-CD2 4.06Å; W47-L77 HydrophobicContact CZ3-CD1 3.46Å; W47-L77 VanDerWaalsContact CZ3-CD1 3.46Å; W47-L77 HydrophobicContact CZ3-CD2 3.92Å; W47-L77 HydrophobicContact CZ3-CG 4.17Å
48T69.1Low77.3Confident28 Ų2862 Ų6217%0.17231%0.313CS..Hα-helixtrans-58.6-32.7176.11.30000112M1 L46 N52M1-T48 HydrophobicContact CB-CG2 4.11Å; M1-T48 WeakPolarHBondContact O-CG2 3.31Å; L46-T48 VanDerWaalsContact C-N 3.26Å; L46-T48 PolarHBondContact O-N 3Å; T48-N52 WeakPolarHBondContact O-CB 3.32Å; T48-N52 VanDerWaalsContact O-CG 3.26Å; T48-N52 PolarHBondContact O-N 3.38Å; T48-N52 PolarHBondContact O-ND2 3.08Å
49L69.4Low77.7Confident2 Ų263.3 Ų63.31%0.0132%0.318CS..Hα-helixtrans-76.4-37.4176.5-65.6165.5000111.7R3 L6 L46 W47 N53 L130 L153R3-L49 HydrophobicContact CG-CD2 4.29Å; L6-L49 HydrophobicContact CD2-CD1 3.85Å; L6-L49 HydrophobicContact CD2-CD2 4.16Å; L6-L49 HydrophobicContact CD2-CG 3.68Å; L46-L49 HydrophobicContact CD2-CD1 3.85Å; L46-L49 HydrophobicContact CG-CD1 4.14Å; L46-L49 WeakPolarHBondContact O-CA 3.32Å; L46-L49 WeakPolarHBondContact O-CB 3.39Å; L46-L49 PolarHBondContact O-N 3.08Å; W47-L49 PolarHBondContact O-N 3.1Å; L49-N53 PolarHBondContact O-N 3.27Å; L49-N53 PolarHBondContact O-ND2 2.81Å; L49-L130 HydrophobicContact CB-CD1 4.3Å; L49-L130 HydrophobicContact CB-CD2 4.01Å; L49-L153 HydrophobicContact CD1-CD1 3.4Å; L49-L153 HydrophobicContact CD1-CD2 4.25Å; L49-L153 HydrophobicContact CD1-CG 4.4Å; L49-L153 HydrophobicContact CD2-CD1 3.74Å; L49-L153 HydrophobicContact CD2-CD2 4.07Å; L49-L153 HydrophobicContact CD2-CG 4.15Å; L49-L153 HydrophobicContact CG-CD1 4.15Å
50I76.7Confident78.1Confident6 Ų658.9 Ų58.93%0.03130%0.295CS..Hα-helixtrans-62-50.2175.6-64.7178.7000110.2L46 W47 N52 N53 F57 L71 L106 L130L46-I50 PolarHBondContact O-N 3.23Å; W47-I50 HydrophobicContact CE3-CB 4.17Å; W47-I50 HydrophobicContact CE3-CD1 4.12Å; W47-I50 HydrophobicContact CE3-CG2 4.17Å; W47-I50 HydrophobicContact CZ3-CG2 4.02Å; W47-I50 WeakPolarHBondContact O-CB 3.13Å; W47-I50 PolarHBondContact O-N 2.98Å; I50-N52 PolarHBondContact O-N 2.95Å; I50-N53 PolarHBondContact O-N 3.08Å; I50-F57 HydrophobicContact CG2-CE1 3.49Å; I50-F57 VanDerWaalsContact CG2-CE1 3.49Å; I50-F57 HydrophobicContact CG2-CZ 3.61Å; I50-L71 HydrophobicContact CD1-CD2 3.7Å; I50-L106 HydrophobicContact CD1-CD2 3.82Å; I50-L106 HydrophobicContact CG1-CD2 3.85Å; I50-L106 HydrophobicContact CG2-CD2 4.35Å; I50-L130 HydrophobicContact CG1-CD2 3.87Å
51Q77.5Confident78.2Confident122 Ų12254.4 Ų54.457%0.5726%0.264SS*.Hα-helixtrans-60-44.8-179.9-69.9-119.2-3900112.5W47 N53 K54W47-Q51 HydrophobicContact CD2-CG 4.1Å; W47-Q51 HydrophobicContact CG-CG 4.26Å; W47-Q51 HydrophobicContact CZ2-CG 4.16Å; W47-Q51 VanDerWaalsContact CZ2-NE2 3.29Å; W47-Q51 WeakPolarHBondContact O-CG 3.14Å; W47-Q51 PolarHBondContact O-N 2.79Å; Q51-N53 PolarHBondContact O-N 2.68Å; Q51-K54 PolarHBondContact O-N 3.47Å
52N69.9Low78.1Confident102 Ų10250 Ų5055%0.54525%0.247SC..Hα-helixtrans-65.3-21.6-178.5-79.5-42.1000113.9T48 I50T48-N52 WeakPolarHBondContact O-CB 3.32Å; T48-N52 VanDerWaalsContact O-CG 3.26Å; T48-N52 PolarHBondContact O-N 3.38Å; T48-N52 PolarHBondContact O-ND2 3.08Å; I50-N52 PolarHBondContact O-N 2.95Å
53N71Confident77.9Confident53 Ų5349 Ų4928%0.28324%0.239SC..THydrogen-bonded Turntrans-97.2-0.8-178.4-76.7-85.1000114.1L49 I50 Q51 L55L49-N53 PolarHBondContact O-N 3.27Å; L49-N53 PolarHBondContact O-ND2 2.81Å; I50-N53 PolarHBondContact O-N 3.08Å; Q51-N53 PolarHBondContact O-N 2.68Å; N53-L55 VanDerWaalsContact C-N 3.25Å; N53-L55 HydrophobicContact CB-CD1 3.91Å; N53-L55 HydrophobicContact CB-CD2 3.93Å; N53-L55 HydrophobicContact CB-CG 3.64Å; N53-L55 PolarHBondContact O-N 3.26Å
54K76.4Confident77.6Confident198 Ų19844.8 Ų44.886%0.86122%0.223SC*.THydrogen-bonded Turntrans48.245.6-178.3-60.6-175.3179-177.50113Q51Q51-K54 PolarHBondContact O-N 3.47Å
55L81.4Confident77.3Confident25 Ų2553.5 Ų53.513%0.13126%0.257CS..  trans-77139.3-174.7-59.7170000111.3N53 F57 L106 D128N53-L55 VanDerWaalsContact C-N 3.25Å; N53-L55 HydrophobicContact CB-CD1 3.91Å; N53-L55 HydrophobicContact CB-CD2 3.93Å; N53-L55 HydrophobicContact CB-CG 3.64Å; N53-L55 PolarHBondContact O-N 3.26Å; L55-F57 HydrophobicContact CB-CD1 3.92Å; L55-F57 HydrophobicContact CB-CE1 4.05Å; L55-L106 HydrophobicContact CD1-CD1 3.93Å; L55-L106 HydrophobicContact CD1-CD2 3.99Å; L55-D128 HydrophobicContact CD2-CB 4.01Å
56S81.2Confident77.3Confident81 Ų8154 Ų5457%0.56626%0.263SS*.  trans-104.5117.1173.71780000109.6R104S56-R104 WeakPolarHBondContact O-CD 3.19Å
57F87.4Confident77.1Confident43 Ų4354 Ų5419%0.18926%0.263CS..  trans-153.8150177.857.6-85.1000109.8I50 L55 R59 L77 L106I50-F57 HydrophobicContact CG2-CE1 3.49Å; I50-F57 VanDerWaalsContact CG2-CE1 3.49Å; I50-F57 HydrophobicContact CG2-CZ 3.61Å; L55-F57 HydrophobicContact CB-CD1 3.92Å; L55-F57 HydrophobicContact CB-CE1 4.05Å; F57-R59 VanDerWaalsContact CD2-O 3.32Å; F57-R59 WeakPolarHBondContact CD2-O 3.43Å; F57-L77 HydrophobicContact CE2-CD2 4.38Å; F57-L106 HydrophobicContact CB-CB 3.84Å; F57-L106 HydrophobicContact CD1-CB 3.83Å; F57-L106 HydrophobicContact CD1-CD2 3.95Å; F57-L106 HydrophobicContact CD1-CG 4.48Å; F57-L106 HydrophobicContact CD2-CB 3.99Å; F57-L106 HydrophobicContact CE1-CB 4.43Å; F57-L106 HydrophobicContact CE1-CD2 3.78Å; F57-L106 HydrophobicContact CG-CB 3.6Å; F57-L106 HydrophobicContact CG-CD2 4.45Å; F57-L106 HydrophobicContact CZ-CD2 4.09Å
58K85.1Confident77.3Confident101 Ų10151.1 Ų51.144%0.43925%0.253SS..SBendtrans-89.5-30.3174.6-172.7177.9168.7-165.70111.2D100 D103 R104K58-D100 IonicContact NZ-OD2 3.97Å; K58-D100 PolarHBondContact NZ-OD2 2.91Å; K58-D100 VanDerWaalsContact NZ-OD2 3.13Å; K58-D103 VanDerWaalsContact CD-OD1 3.26Å; K58-D103 WeakPolarHBondContact CD-OD1 3.46Å; K58-D103 WeakPolarHBondContact CE-OD1 3.28Å; K58-D103 IonicContact NZ-OD1 2.69Å; K58-D103 PolarHBondContact NZ-OD1 2.85Å; K58-D103 IonicContact NZ-OD2 3.42Å; K58-D103 PolarHBondContact NZ-OD2 2.8Å; K58-R104 PolarHBondContact N-O 3.38Å
59R88.7Confident77.8Confident29 Ų2951.8 Ų51.811%0.10926%0.257CS..EExtended strand (participates in β ladder)trans-141.2158.8-178.4-58.4-170.6175.365.9-14112F57 P78 L80 L98 D103 R104 C105 L106F57-R59 VanDerWaalsContact CD2-O 3.32Å; F57-R59 WeakPolarHBondContact CD2-O 3.43Å; R59-P78 VanDerWaalsContact CA-O 3.26Å; R59-P78 WeakPolarHBondContact CA-O 3.43Å; R59-P78 WeakPolarHBondContact CB-O 3.4Å; R59-P78 HydrophobicContact CG-CB 4.09Å; R59-L80 HydrophobicContact CB-CD1 4.41Å; R59-L80 HydrophobicContact CB-CG 4.38Å; R59-L98 VanDerWaalsContact CZ-O 3.3Å; R59-L98 PolarHBondContact NE-O 2.98Å; R59-L98 PolarHBondContact NH2-O 2.71Å; R59-L98 VanDerWaalsContact NH2-O 3.07Å; R59-D103 IonicContact CZ-OD2 2.74Å; R59-D103 IonicContact NH1-OD1 3.39Å; R59-D103 IonicContact NH1-OD2 2.75Å; R59-D103 PolarHBondContact NH1-OD2 3.4Å; R59-D103 IonicContact NH2-OD2 3.74Å; R59-D103 PolarHBondContact NH2-OD2 3.03Å; R59-R104 PolarHBondContact N-O 3.14Å; R59-C105 VanDerWaalsContact C-SG 3.54Å; R59-C105 WeakPolarHBondContact O-CA 3.25Å; R59-C105 PolarHBondContact O-SG 3.3Å; R59-L106 PolarHBondContact O-N 3.44Å
60V89.8Confident78.2Confident0 Ų053.1 Ų53.10%027%0.269CS..EExtended strand (participates in β ladder)trans-105.6140.6168.883.70000109.6I68 L71 P78 M79 L80 L106 V108V60-I68 HydrophobicContact CG1-CG2 3.51Å; V60-I68 HydrophobicContact CG2-CG2 4.27Å; V60-L71 HydrophobicContact CG2-CD2 4.47Å; V60-P78 PolarHBondContact N-O 2.96Å; V60-M79 HydrophobicContact CG1-CB 4.15Å; V60-M79 HydrophobicContact CG1-CG 4.12Å; V60-M79 CarbonylContact O-C 3.47Å; V60-M79 WeakPolarHBondContact O-CA 3.26Å; V60-L80 PolarHBondContact O-N 2.91Å; V60-L106 CarbonylContact C-O 3.38Å; V60-L106 WeakPolarHBondContact CA-O 3.32Å; V60-L106 HydrophobicContact CG2-CB 4.41Å; V60-L106 HydrophobicContact CG2-CD2 4.47Å; V60-L106 HydrophobicContact CG2-CG 4.44Å; V60-L106 WeakPolarHBondContact CG2-O 3.24Å; V60-V108 HydrophobicContact CG2-CG2 3.64Å
61C87.6Confident78.3Confident0 Ų052.9 Ų52.90%027%0.267CS..EExtended strand (participates in β ladder)trans-130.4145.9178-174.90000110.5L80 C105 L106 V107 V108 L124C61-L80 WeakPolarHBondContact CA-O 3.47Å; C61-L80 HydrophobicContact CB-CB 4.06Å; C61-C105 WeakPolarHBondContact CB-SG 3.29Å; C61-L106 PolarHBondContact N-O 3.31Å; C61-V107 HydrophobicContact CB-CG2 4.38Å; C61-V107 CarbonylContact O-C 3.52Å; C61-V107 VanDerWaalsContact O-CA 3.31Å; C61-V107 WeakPolarHBondContact O-CA 3.35Å; C61-V108 PolarHBondContact O-N 3.12Å; C61-L124 HydrophobicContact CB-CD1 4.28Å
62G82.5Confident78.7Confident0 Ų048 Ų480%025%0.247CC..EExtended strand (participates in β ladder)trans172.2-161.8165.200000112.2I68 L80 L82G62-I68 VanDerWaalsContact CA-CD1 3.4Å; G62-L80 PolarHBondContact N-O 2.82Å; G62-L82 PolarHBondContact O-N 2.88Å
63V71Confident79.4Confident43 Ų4349 Ų4926%0.26126%0.256SS..  trans-71.2135.5-174-98.30000112.3Y65 G66V63-Y65 VanDerWaalsContact C-N 3.25Å; V63-Y65 PolarHBondContact O-N 3.41Å; V63-Y65 VanDerWaalsContact O-N 3.13Å; V63-G66 PolarHBondContact O-N 3.37Å
64P68.9Low79.9Confident35 Ų3551 Ų5123%0.22727%0.267CS..THydrogen-bonded Turntrans-64.6-22.9-168.720.6-31.6000115.4P69 F81P64-P69 VanDerWaalsContact O-CG 3.31Å; P64-P69 WeakPolarHBondContact O-CG 3.49Å; P64-F81 HydrophobicContact CB-CD1 3.53Å; P64-F81 HydrophobicContact CB-CE1 3.91Å; P64-F81 HydrophobicContact CB-CG 4.28Å
65Y71.5Confident80.3Confident184 Ų18444.2 Ų44.272%0.72224%0.238SC*.THydrogen-bonded Turntrans-100.54.6-174.8-36.2-66.6000113.1R36 V63R36-Y65 WeakPolarHBondContact CG-O 3.38Å; V63-Y65 VanDerWaalsContact C-N 3.25Å; V63-Y65 PolarHBondContact O-N 3.41Å; V63-Y65 VanDerWaalsContact O-N 3.13Å
66G71.1Confident80.6Confident14 Ų1450.1 Ų50.114%0.14427%0.27CS..SBendtrans-83.3-166.1177.400000112.6V63 I68 P69V63-G66 PolarHBondContact O-N 3.37Å; G66-I68 PolarHBondContact O-N 3.48Å; G66-P69 WeakPolarHBondContact O-CD 3.46Å
67A68.2Low80.9Confident2 Ų247.6 Ų47.62%0.01725%0.25CC..SBendtrans-72.6-5.4176.700000114.1L38 L45 L46 A70 L71L38-A67 HydrophobicContact CB-CB 4.06Å; L38-A67 HydrophobicContact CD1-CB 4.15Å; L45-A67 HydrophobicContact CD2-CB 3.72Å; L45-A67 WeakPolarHBondContact CD2-O 3.04Å; L46-A67 HydrophobicContact CD1-CB 4.21Å; A67-A70 PolarHBondContact O-N 2.86Å; A67-L71 PolarHBondContact O-N 3.27Å
68I78.4Confident81Confident6 Ų649 Ų493%0.03126%0.264CS..Hα-helixtrans-69-40.4-170.7-51179.5000113.9V60 G62 G66 A70 L71 S72 M79 V108V60-I68 HydrophobicContact CG1-CG2 3.51Å; V60-I68 HydrophobicContact CG2-CG2 4.27Å; G62-I68 VanDerWaalsContact CA-CD1 3.4Å; G66-I68 PolarHBondContact O-N 3.48Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 3.28Å; I68-L71 WeakPolarHBondContact O-CB 3.19Å; I68-L71 PolarHBondContact O-N 2.95Å; I68-S72 WeakPolarHBondContact O-CB 3.46Å; I68-S72 PolarHBondContact O-N 3.16Å; I68-M79 HydrophobicContact CB-CE 3.61Å; I68-M79 HydrophobicContact CB-SD 4.31Å; I68-M79 HydrophobicContact CG2-CE 3.38Å; I68-M79 HydrophobicContact CG2-CG 4.2Å; I68-M79 HydrophobicContact CG2-SD 3.76Å; I68-V108 HydrophobicContact CD1-CB 3.66Å; I68-V108 HydrophobicContact CD1-CG1 4.24Å; I68-V108 WeakPolarHBondContact CD1-O 3.24Å; I68-V108 HydrophobicContact CG1-CB 4.11Å; I68-V108 HydrophobicContact CG1-CG1 4.28Å
69P80.1Confident81.3Confident41 Ų4145.5 Ų45.527%0.26625%0.249SC..Hα-helixtrans-58.5-44.3175.9-21.732.6000111.8P64 G66 L71 S72 V73 M79 F81P64-P69 VanDerWaalsContact O-CG 3.31Å; P64-P69 WeakPolarHBondContact O-CG 3.49Å; G66-P69 WeakPolarHBondContact O-CD 3.46Å; P69-L71 PolarHBondContact O-N 2.9Å; P69-S72 WeakPolarHBondContact O-CB 3.42Å; P69-S72 PolarHBondContact O-N 2.99Å; P69-V73 WeakPolarHBondContact O-CG2 3.37Å; P69-V73 PolarHBondContact O-N 3.12Å; P69-M79 HydrophobicContact CB-SD 4.36Å; P69-M79 HydrophobicContact CG-CE 4.23Å; P69-M79 HydrophobicContact CG-SD 4.29Å; P69-F81 HydrophobicContact CG-CE1 4.04Å
70A77Confident81.3Confident30 Ų3044.1 Ų44.125%0.24824%0.244CC..Hα-helixtrans-64-42.5177.700000111.2L45 A67 I68 S72 V73 D74L45-A70 HydrophobicContact CD1-CB 3.72Å; L45-A70 HydrophobicContact CD2-CB 3.83Å; L45-A70 HydrophobicContact CG-CB 4.42Å; A67-A70 PolarHBondContact O-N 2.86Å; I68-A70 VanDerWaalsContact C-N 3.3Å; I68-A70 PolarHBondContact O-N 3.28Å; A70-S72 VanDerWaalsContact C-N 3.32Å; A70-S72 PolarHBondContact O-N 3.36Å; A70-V73 PolarHBondContact O-N 2.85Å; A70-D74 VanDerWaalsContact O-CB 3.32Å; A70-D74 WeakPolarHBondContact O-CB 3.42Å; A70-D74 PolarHBondContact O-N 2.58Å
71L79.9Confident81.1Confident1 Ų147.7 Ų47.71%0.00526%0.259CS..Hα-helixtrans-59.1-42.4174.3179.880.5000112.3L45 W47 I50 V60 A67 I68 P69 H75 L77L45-L71 HydrophobicContact CB-CD1 4.1Å; W47-L71 HydrophobicContact CB-CD1 3.62Å; W47-L71 HydrophobicContact CE3-CD1 4.34Å; W47-L71 VanDerWaalsContact N-CD1 3.31Å; I50-L71 HydrophobicContact CD1-CD2 3.7Å; V60-L71 HydrophobicContact CG2-CD2 4.47Å; A67-L71 PolarHBondContact O-N 3.27Å; I68-L71 WeakPolarHBondContact O-CB 3.19Å; I68-L71 PolarHBondContact O-N 2.95Å; P69-L71 PolarHBondContact O-N 2.9Å; L71-H75 PolarHBondContact O-N 3.3Å; L71-L77 HydrophobicContact CG-CD1 4.3Å
72S85.3Confident80.7Confident20 Ų2048.1 Ų48.114%0.1426%0.262CS..Hα-helixtrans-63.7-46.4178.9168.50000111.5I68 P69 A70 N76 L77 M79I68-S72 WeakPolarHBondContact O-CB 3.46Å; I68-S72 PolarHBondContact O-N 3.16Å; P69-S72 WeakPolarHBondContact O-CB 3.42Å; P69-S72 PolarHBondContact O-N 2.99Å; A70-S72 VanDerWaalsContact C-N 3.32Å; A70-S72 PolarHBondContact O-N 3.36Å; S72-N76 CarbonylContact O-C 3.59Å; S72-N76 VanDerWaalsContact O-CA 3.28Å; S72-N76 WeakPolarHBondContact O-CA 3.49Å; S72-N76 PolarHBondContact O-N 3.48Å; S72-L77 WeakPolarHBondContact CB-O 3.44Å; S72-L77 PolarHBondContact O-N 3.24Å; S72-L77 PolarHBondContact OG-O 3.5Å; S72-M79 WeakPolarHBondContact OG-CB 3.17Å
73V84.1Confident80.3Confident122 Ų12251.2 Ų51.274%0.73927%0.273SS*.Hα-helixtrans-66.6-47.6179.2173.30000111.1P69 A70 H75 N76P69-V73 WeakPolarHBondContact O-CG2 3.37Å; P69-V73 PolarHBondContact O-N 3.12Å; A70-V73 PolarHBondContact O-N 2.85Å; V73-H75 VanDerWaalsContact C-N 3.3Å; V73-H75 PolarHBondContact O-N 2.92Å; V73-N76 PolarHBondContact O-N 3.47Å
74D82.1Confident80.3Confident96 Ų9655.8 Ų55.851%0.51329%0.29SS..Hα-helixtrans-65.1-32.3-174.9-16660.8000113.1L45 A70L45-D74 HydrophobicContact CD1-CB 4.34Å; A70-D74 VanDerWaalsContact O-CB 3.32Å; A70-D74 WeakPolarHBondContact O-CB 3.42Å; A70-D74 PolarHBondContact O-N 2.58Å
75H85Confident80.5Confident55 Ų5561.1 Ų61.126%0.25531%0.312SS..THydrogen-bonded Turntrans-113.411.1-177.8-59.7-50.8000114.5W47 L71 V73 L77W47-H75 VanDerWaalsContact CB-CD2 3.5Å; W47-H75 WeakPolarHBondContact CB-CD2 3.15Å; W47-H75 WeakPolarHBondContact CB-NE2 3.39Å; W47-H75 AromaticContact CD1-CD2 3.91Å; W47-H75 AromaticContact CD1-CE1 3.39Å; W47-H75 AromaticContact CD1-ND1 3.89Å; W47-H75 AromaticContact CD1-NE2 3.35Å; W47-H75 HydrophobicContact CD2-CB 4.35Å; W47-H75 AromaticContact CD2-CD2 3.43Å; W47-H75 VanDerWaalsContact CD2-CD2 3.43Å; W47-H75 AromaticContact CD2-CG 3.67Å; W47-H75 AromaticContact CD2-NE2 3.7Å; W47-H75 AromaticContact CE2-CG 3.85Å; W47-H75 AromaticContact CE2-ND1 3.96Å; W47-H75 HydrophobicContact CE3-CB 4.28Å; W47-H75 AromaticContact CE3-CD2 3.74Å; W47-H75 AromaticContact CG-CD2 3.34Å; W47-H75 AromaticContact CG-CE1 3.61Å; W47-H75 AromaticContact CG-CG 3.91Å; W47-H75 AromaticContact CG-NE2 3.08Å; W47-H75 HydrophobicContact CH2-CB 4.4Å; W47-H75 HydrophobicContact CZ2-CB 4.44Å; W47-H75 HydrophobicContact CZ3-CB 4.33Å; W47-H75 AromaticContact NE1-CE1 3.78Å; W47-H75 AromaticContact NE1-ND1 3.82Å; L71-H75 PolarHBondContact O-N 3.3Å; V73-H75 VanDerWaalsContact C-N 3.3Å; V73-H75 PolarHBondContact O-N 2.92Å; H75-L77 VanDerWaalsContact C-N 3.26Å; H75-L77 HydrophobicContact CB-CD1 4.05Å; H75-L77 HydrophobicContact CB-CG 3.91Å; H75-L77 PolarHBondContact O-N 3.11Å
76N87.1Confident80.5Confident150 Ų15054.1 Ų54.180%0.80229%0.292SS*.THydrogen-bonded Turntrans50.844.2-179.1-164.531.2000113.1S72 V73S72-N76 CarbonylContact O-C 3.59Å; S72-N76 VanDerWaalsContact O-CA 3.28Å; S72-N76 WeakPolarHBondContact O-CA 3.49Å; S72-N76 PolarHBondContact O-N 3.48Å; V73-N76 PolarHBondContact O-N 3.47Å
77L87.8Confident80.4Confident27 Ų2757.4 Ų57.414%0.14130%0.302CS..  trans-94.1128.8179.6-58.2169000109.7W47 F57 L71 S72 H75 M79W47-L77 HydrophobicContact CE3-CD1 3.9Å; W47-L77 HydrophobicContact CH2-CD1 4.36Å; W47-L77 HydrophobicContact CH2-CD2 4.06Å; W47-L77 HydrophobicContact CZ3-CD1 3.46Å; W47-L77 VanDerWaalsContact CZ3-CD1 3.46Å; W47-L77 HydrophobicContact CZ3-CD2 3.92Å; W47-L77 HydrophobicContact CZ3-CG 4.17Å; F57-L77 HydrophobicContact CE2-CD2 4.38Å; L71-L77 HydrophobicContact CG-CD1 4.3Å; S72-L77 WeakPolarHBondContact CB-O 3.44Å; S72-L77 PolarHBondContact O-N 3.24Å; S72-L77 PolarHBondContact OG-O 3.5Å; H75-L77 VanDerWaalsContact C-N 3.26Å; H75-L77 HydrophobicContact CB-CD1 4.05Å; H75-L77 HydrophobicContact CB-CG 3.91Å; H75-L77 PolarHBondContact O-N 3.11Å; L77-M79 PolarHBondContact O-N 2.65Å
78P90.1Very high80.2Confident74 Ų7462.5 Ų62.548%0.48134%0.336SS..  trans-64.9127.2174.3-10.622.6000110R59 V60R59-P78 VanDerWaalsContact CA-O 3.26Å; R59-P78 WeakPolarHBondContact CA-O 3.43Å; R59-P78 WeakPolarHBondContact CB-O 3.4Å; R59-P78 HydrophobicContact CG-CB 4.09Å; V60-P78 PolarHBondContact N-O 2.96Å
79M90.3Very high79.8Confident27 Ų2769.6 Ų69.613%0.13336%0.363CS..EExtended strand (participates in β ladder)trans-111.5143.5-173.3179.2179.3-17800112V60 I68 P69 S72 L77 F81V60-M79 HydrophobicContact CG1-CB 4.15Å; V60-M79 HydrophobicContact CG1-CG 4.12Å; V60-M79 CarbonylContact O-C 3.47Å; V60-M79 WeakPolarHBondContact O-CA 3.26Å; I68-M79 HydrophobicContact CB-CE 3.61Å; I68-M79 HydrophobicContact CB-SD 4.31Å; I68-M79 HydrophobicContact CG2-CE 3.38Å; I68-M79 HydrophobicContact CG2-CG 4.2Å; I68-M79 HydrophobicContact CG2-SD 3.76Å; P69-M79 HydrophobicContact CB-SD 4.36Å; P69-M79 HydrophobicContact CG-CE 4.23Å; P69-M79 HydrophobicContact CG-SD 4.29Å; S72-M79 WeakPolarHBondContact OG-CB 3.17Å; L77-M79 PolarHBondContact O-N 2.65Å; M79-F81 HydrophobicContact CE-CD1 3.25Å; M79-F81 HydrophobicContact CE-CE1 3.04Å; M79-F81 HydrophobicContact CE-CG 4.21Å; M79-F81 HydrophobicContact CE-CZ 3.83Å; M79-F81 HydrophobicContact SD-CD1 4.23Å; M79-F81 HydrophobicContact SD-CE1 3.59Å; M79-F81 VanDerWaalsContact SD-CE1 3.59Å; M79-F81 HydrophobicContact SD-CZ 3.73Å
80L88.9Confident79.6Confident0 Ų070.9 Ų70.90%038%0.384CS..EExtended strand (participates in β ladder)trans-114146.8165.8-56.6176.9000109.9R59 V60 C61 G62 V95 E96 Y99 L124R59-L80 HydrophobicContact CB-CD1 4.41Å; R59-L80 HydrophobicContact CB-CG 4.38Å; V60-L80 PolarHBondContact O-N 2.91Å; C61-L80 WeakPolarHBondContact CA-O 3.47Å; C61-L80 HydrophobicContact CB-CB 4.06Å; G62-L80 PolarHBondContact N-O 2.82Å; L80-V95 HydrophobicContact CB-CG1 3.87Å; L80-V95 HydrophobicContact CD1-CG1 4.02Å; L80-V95 HydrophobicContact CG-CG1 4.36Å; L80-E96 CarbonylContact C-O 3.47Å; L80-E96 VanDerWaalsContact CA-O 3.26Å; L80-E96 WeakPolarHBondContact CA-O 3.22Å; L80-Y99 HydrophobicContact CD1-CD1 4.11Å; L80-Y99 HydrophobicContact CD1-CG 4.04Å; L80-Y99 HydrophobicContact CD2-CD1 3.86Å; L80-Y99 HydrophobicContact CD2-CG 4.33Å; L80-L124 HydrophobicContact CD1-CD1 3.6Å; L80-L124 HydrophobicContact CD1-CD2 3.44Å; L80-L124 VanDerWaalsContact CD1-CD2 3.44Å; L80-L124 HydrophobicContact CD1-CG 4.16Å
81F86.3Confident79.4Confident74 Ų7474 Ų7433%0.32540%0.4SS..EExtended strand (participates in β ladder)trans-106.8127.5174.2-63.2-73.8000110.9P64 P69 M79 V95 E96P64-F81 HydrophobicContact CB-CD1 3.53Å; P64-F81 HydrophobicContact CB-CE1 3.91Å; P64-F81 HydrophobicContact CB-CG 4.28Å; P69-F81 HydrophobicContact CG-CE1 4.04Å; M79-F81 HydrophobicContact CE-CD1 3.25Å; M79-F81 HydrophobicContact CE-CE1 3.04Å; M79-F81 HydrophobicContact CE-CG 4.21Å; M79-F81 HydrophobicContact CE-CZ 3.83Å; M79-F81 HydrophobicContact SD-CD1 4.23Å; M79-F81 HydrophobicContact SD-CE1 3.59Å; M79-F81 VanDerWaalsContact SD-CE1 3.59Å; M79-F81 HydrophobicContact SD-CZ 3.73Å; F81-V95 CarbonylContact O-C 3.38Å; F81-V95 VanDerWaalsContact O-CA 3.3Å; F81-V95 WeakPolarHBondContact O-CA 3.21Å; F81-E96 HydrophobicContact CB-CB 4.12Å; F81-E96 HydrophobicContact CD2-CB 4.49Å; F81-E96 PolarHBondContact N-O 3.11Å; F81-E96 PolarHBondContact O-N 2.79Å
82L78.4Confident79.1Confident9 Ų979.2 Ų79.25%0.04742%0.423CS..EExtended strand (participates in β ladder)trans-92.2114.1170.1-167.171.5000109.8G62 L94 V95 S117 R120G62-L82 PolarHBondContact O-N 2.88Å; L82-L94 HydrophobicContact CD1-CD2 4.15Å; L82-V95 HydrophobicContact CD1-CG2 3.71Å; L82-S117 WeakPolarHBondContact CD2-O 3.28Å; L82-R120 HydrophobicContact CD1-CB 4.49Å; L82-R120 WeakPolarHBondContact CD1-O 3.14Å; L82-R120 HydrophobicContact CD2-CB 4.25Å
83R75.6Confident78.3Confident65 Ų6582.7 Ų82.725%0.24544%0.436CS..  trans-72.1149.1174.9-56-173.980.8122.625.8110.2E85 K87 Q93 L94 E96R83-E85 VanDerWaalsContact C-N 3.31Å; R83-E85 WeakPolarHBondContact CB-O 3.39Å; R83-E85 PolarHBondContact NE-O 2.79Å; R83-K87 VanDerWaalsContact NH1-CD 3.29Å; R83-K87 VanDerWaalsContact NH2-CE 3.26Å; R83-Q93 WeakPolarHBondContact CD-O 3.3Å; R83-L94 WeakPolarHBondContact CB-O 3.5Å; R83-L94 WeakPolarHBondContact CG-O 3.5Å; R83-L94 PolarHBondContact N-O 3.17Å; R83-L94 WeakPolarHBondContact O-CD2 3.29Å; R83-E96 HydrophobicContact CG-CG 4.02Å; R83-E96 IonicContact CZ-OE1 2.8Å; R83-E96 IonicContact NE-OE1 3.54Å; R83-E96 IonicContact NH1-OE1 3.34Å; R83-E96 PolarHBondContact NH1-OE1 3.39Å
84K70.6Confident77.8Confident140 Ų14077.6 Ų77.661%0.60941%0.405SS*.SBendtrans-68.1-34.1167.5-100178.4177.3164.60112.1R120K84-R120 PolarHBondContact O-NH1 2.7Å; K84-R120 PolarHBondContact O-NH2 2.84Å
85E72.3Confident77.6Confident146 Ų14673.1 Ų73.168%0.68238%0.381SS*.SBendtrans-145.2141.1-177.8-67.4173.7-160.500108.2R83R83-E85 VanDerWaalsContact C-N 3.31Å; R83-E85 WeakPolarHBondContact CB-O 3.39Å; R83-E85 PolarHBondContact NE-O 2.79Å
86A71.7Confident77.7Confident38 Ų3873.5 Ų73.531%0.31438%0.383SS..  trans-64.5140.9169.100000108.7K92A86-K92 VanDerWaalsContact CB-O 3.25Å; A86-K92 WeakPolarHBondContact CB-O 3.35Å
87K70.1Confident77.7Confident82 Ų8268.2 Ų68.236%0.35736%0.364SS..  trans-65.6143.4169.3-81.5175.9168.7165.20109R83 Y89R83-K87 VanDerWaalsContact NH1-CD 3.29Å; R83-K87 VanDerWaalsContact NH2-CE 3.26Å; K87-Y89 VanDerWaalsContact CB-O 3.29Å; K87-Y89 WeakPolarHBondContact CB-O 3.17Å; K87-Y89 HydrophobicContact CD-CD2 4.34Å; K87-Y89 HydrophobicContact CD-CE2 3.72Å; K87-Y89 HydrophobicContact CG-CE2 4.44Å; K87-Y89 PolarHBondContact O-N 2.86Å
88P63.2Low77.5Confident110 Ų11074.7 Ų74.771%0.71440%0.398SS*.SBendtrans-69.5-15.3173.525-29.1000112.7
89Y69.7Low77Confident155 Ų15573.9 Ų73.961%0.60839%0.386SS*.SBendtrans-123.3164.3179.956.4-95.8000111.7K87K87-Y89 VanDerWaalsContact CB-O 3.29Å; K87-Y89 WeakPolarHBondContact CB-O 3.17Å; K87-Y89 HydrophobicContact CD-CD2 4.34Å; K87-Y89 HydrophobicContact CD-CE2 3.72Å; K87-Y89 HydrophobicContact CG-CE2 4.44Å; K87-Y89 PolarHBondContact O-N 2.86Å
90G76.9Confident76.1Confident68 Ų6877.2 Ų77.270%0.70140%0.404SS*.THydrogen-bonded Turntrans77.3-141.1-179.100000112.3K92G90-K92 PolarHBondContact O-N 3.42Å
91T72.8Confident74.7Confident96 Ų9680.3 Ų80.359%0.58942%0.423SS*.THydrogen-bonded Turntrans-69.2-14.1-176.957.40000113.8Q93T91-Q93 WeakPolarHBondContact O-CG 2.75Å; T91-Q93 PolarHBondContact O-N 3.49Å
92K72.2Confident73.6Confident110 Ų11078.8 Ų78.848%0.47843%0.428SS..  trans52.717.5-175-53-177.6-174.4176.70114.2A86 G90 D197A86-K92 VanDerWaalsContact CB-O 3.25Å; A86-K92 WeakPolarHBondContact CB-O 3.35Å; G90-K92 PolarHBondContact O-N 3.42Å; K92-D197 IonicContact NZ-OD2 3.2Å; K92-D197 PolarHBondContact NZ-OD2 3.24Å; K92-D197 VanDerWaalsContact NZ-OD2 3.16Å
93Q69.9Low73.4Confident92 Ų9279 Ų7943%0.4343%0.43SS..  trans-80146.5-176.6-68.6-174.63.700111.9R83 T91R83-Q93 WeakPolarHBondContact CD-O 3.3Å; T91-Q93 WeakPolarHBondContact O-CG 2.75Å; T91-Q93 PolarHBondContact O-N 3.49Å
94L72.9Confident73.4Confident16 Ų1681 Ų818%0.08444%0.437CS..SBendtrans-88.4-29.1177-120.8139.4000112.2L82 R83 R120 I194L82-L94 HydrophobicContact CD1-CD2 4.15Å; R83-L94 WeakPolarHBondContact CB-O 3.5Å; R83-L94 WeakPolarHBondContact CG-O 3.5Å; R83-L94 PolarHBondContact N-O 3.17Å; R83-L94 WeakPolarHBondContact O-CD2 3.29Å; L94-R120 HydrophobicContact CD2-CB 4.3Å; L94-I194 HydrophobicContact CD1-CD1 4.16Å; L94-I194 HydrophobicContact CD1-CG2 3.49Å; L94-I194 VanDerWaalsContact CD1-CG2 3.49Å
95V78.2Confident74Confident2 Ų274.3 Ų74.31%0.01241%0.408CS..EExtended strand (participates in β ladder)trans-106122.7176-177.20000108L80 F81 L82 Y99 L124L80-V95 HydrophobicContact CB-CG1 3.87Å; L80-V95 HydrophobicContact CD1-CG1 4.02Å; L80-V95 HydrophobicContact CG-CG1 4.36Å; F81-V95 CarbonylContact O-C 3.38Å; F81-V95 VanDerWaalsContact O-CA 3.3Å; F81-V95 WeakPolarHBondContact O-CA 3.21Å; L82-V95 HydrophobicContact CD1-CG2 3.71Å; V95-Y99 HydrophobicContact CB-CE1 3.94Å; V95-Y99 HydrophobicContact CG1-CD1 4.12Å; V95-Y99 HydrophobicContact CG1-CE1 3.67Å; V95-L124 HydrophobicContact CG1-CD1 4.19Å
96E86.3Confident74.8Confident62 Ų6267.5 Ų67.529%0.2938%0.376SS..EExtended strand (participates in β ladder)trans-102.5145175.4-57.7-86-170.800110.2L80 F81 R83L80-E96 CarbonylContact C-O 3.47Å; L80-E96 VanDerWaalsContact CA-O 3.26Å; L80-E96 WeakPolarHBondContact CA-O 3.22Å; F81-E96 HydrophobicContact CB-CB 4.12Å; F81-E96 HydrophobicContact CD2-CB 4.49Å; F81-E96 PolarHBondContact N-O 3.11Å; F81-E96 PolarHBondContact O-N 2.79Å; R83-E96 HydrophobicContact CG-CG 4.02Å; R83-E96 IonicContact CZ-OE1 2.8Å; R83-E96 IonicContact NE-OE1 3.54Å; R83-E96 IonicContact NH1-OE1 3.34Å; R83-E96 PolarHBondContact NH1-OE1 3.39Å
97G86.7Confident75.5Confident40 Ų4065.7 Ų65.741%0.41236%0.361SS..SBendtrans116.3169.2-17700000111.8Y99G97-Y99 WeakPolarHBondContact O-CD1 3.33Å
98L85.2Confident76.2Confident162 Ų16262 Ų6285%0.84835%0.345SS*.  trans-90.2115.3-178.6-67173.4000110.4R59R59-L98 VanDerWaalsContact CZ-O 3.3Å; R59-L98 PolarHBondContact NE-O 2.98Å; R59-L98 PolarHBondContact NH2-O 2.71Å; R59-L98 VanDerWaalsContact NH2-O 3.07Å
99Y79.6Confident77Confident57 Ų5757.2 Ų57.222%0.22431%0.314CS..  trans-142.4150.4175.565.7-80.7000111.3L80 V95 G97 L124L80-Y99 HydrophobicContact CD1-CD1 4.11Å; L80-Y99 HydrophobicContact CD1-CG 4.04Å; L80-Y99 HydrophobicContact CD2-CD1 3.86Å; L80-Y99 HydrophobicContact CD2-CG 4.33Å; V95-Y99 HydrophobicContact CB-CE1 3.94Å; V95-Y99 HydrophobicContact CG1-CD1 4.12Å; V95-Y99 HydrophobicContact CG1-CE1 3.67Å; G97-Y99 WeakPolarHBondContact O-CD1 3.33Å; Y99-L124 HydrophobicContact CD2-CD2 3.49Å; Y99-L124 VanDerWaalsContact CD2-CD2 3.49Å; Y99-L124 HydrophobicContact CE2-CD2 3.99Å; Y99-L124 HydrophobicContact CG-CD2 3.86Å
100D69.7Low77.5Confident98 Ų9852.5 Ų52.552%0.52430%0.299SS..  trans-89146.7165.7-51.4-58.6000108.1K58 G102 D103K58-D100 IonicContact NZ-OD2 3.97Å; K58-D100 PolarHBondContact NZ-OD2 2.91Å; K58-D100 VanDerWaalsContact NZ-OD2 3.13Å; D100-G102 PolarHBondContact O-N 2.76Å; D100-D103 WeakPolarHBondContact CB-OD2 3.38Å; D100-D103 PolarHBondContact N-OD2 3.1Å; D100-D103 WeakPolarHBondContact O-CB 3.3Å; D100-D103 PolarHBondContact O-N 3.28Å; D100-D103 VanDerWaalsContact O-N 3.07Å
101V61.1Low77.5Confident64 Ų6450.4 Ų50.439%0.38827%0.272SS..THydrogen-bonded Turntrans-58.7135.8174.8174.50000110D103 F205 N206 V209V101-D103 PolarHBondContact O-N 3.5Å; V101-F205 WeakPolarHBondContact CG1-O 3.24Å; V101-N206 WeakPolarHBondContact CG1-OD1 3.3Å; V101-N206 VanDerWaalsContact CG2-CG 3.47Å; V101-N206 VanDerWaalsContact CG2-ND2 3.33Å; V101-N206 WeakPolarHBondContact CG2-ND2 3.15Å; V101-N206 WeakPolarHBondContact CG2-OD1 3.25Å; V101-V209 HydrophobicContact CG1-CG2 4.4Å
102G62.6Low77.8Confident42 Ų4245.9 Ų45.943%0.43325%0.245SC..THydrogen-bonded Turntrans80.13.4-177.800000113.8D100 R104 G123 L125D100-G102 PolarHBondContact O-N 2.76Å; G102-R104 PolarHBondContact O-N 3.04Å; G102-G123 PolarHBondContact N-O 2.7Å; G102-L125 VanDerWaalsContact O-CB 3.26Å; G102-L125 WeakPolarHBondContact O-CB 3.25Å
103D73.2Confident77.8Confident15 Ų1542.5 Ų42.58%0.0823%0.234CC..  trans-56.9128.5172.8-86.6-31.6000110.8K58 R59 D100 V101 C105 L125K58-D103 VanDerWaalsContact CD-OD1 3.26Å; K58-D103 WeakPolarHBondContact CD-OD1 3.46Å; K58-D103 WeakPolarHBondContact CE-OD1 3.28Å; K58-D103 IonicContact NZ-OD1 2.69Å; K58-D103 PolarHBondContact NZ-OD1 2.85Å; K58-D103 IonicContact NZ-OD2 3.42Å; K58-D103 PolarHBondContact NZ-OD2 2.8Å; R59-D103 IonicContact CZ-OD2 2.74Å; R59-D103 IonicContact NH1-OD1 3.39Å; R59-D103 IonicContact NH1-OD2 2.75Å; R59-D103 PolarHBondContact NH1-OD2 3.4Å; R59-D103 IonicContact NH2-OD2 3.74Å; R59-D103 PolarHBondContact NH2-OD2 3.03Å; D100-D103 WeakPolarHBondContact CB-OD2 3.38Å; D100-D103 PolarHBondContact N-OD2 3.1Å; D100-D103 WeakPolarHBondContact O-CB 3.3Å; D100-D103 PolarHBondContact O-N 3.28Å; D100-D103 VanDerWaalsContact O-N 3.07Å; V101-D103 PolarHBondContact O-N 3.5Å; D103-C105 PolarHBondContact O-N 3.24Å; D103-L125 PolarHBondContact O-N 3.02Å
104R76Confident77.8Confident105 Ų10542.2 Ų42.240%0.39623%0.232SC..BIsolated β-bridgetrans-70.2118.1179.8-166.4-180-73-144.4-0109.7S56 K58 R59 G102 L125 T127S56-R104 WeakPolarHBondContact O-CD 3.19Å; K58-R104 PolarHBondContact N-O 3.38Å; R59-R104 PolarHBondContact N-O 3.14Å; G102-R104 PolarHBondContact O-N 3.04Å; R104-L125 CarbonylContact C-O 3.55Å; R104-L125 VanDerWaalsContact CA-O 3.25Å; R104-L125 WeakPolarHBondContact CA-O 3.36Å; R104-L125 HydrophobicContact CB-CD2 4.42Å; R104-L125 HydrophobicContact CG-CD2 4.45Å; R104-T127 HydrophobicContact CG-CG2 4.43Å
105C84.3Confident77.7Confident1 Ų141.5 Ų41.51%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-125.4133-174-153.90000111.3R59 C61 D103 L124 L125R59-C105 VanDerWaalsContact C-SG 3.54Å; R59-C105 WeakPolarHBondContact O-CA 3.25Å; R59-C105 PolarHBondContact O-SG 3.3Å; C61-C105 WeakPolarHBondContact CB-SG 3.29Å; D103-C105 PolarHBondContact O-N 3.24Å; C105-L124 HydrophobicContact CB-CB 3.97Å; C105-L124 HydrophobicContact CB-CD1 3.95Å; C105-L124 HydrophobicContact CB-CD2 4.34Å; C105-L124 HydrophobicContact CB-CG 4.31Å; C105-L125 PolarHBondContact N-O 3.37Å
106L89Confident77.3Confident2 Ų245.3 Ų45.31%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-84.9117169.4174.462000108.5I50 L55 F57 R59 V60 C61 V108 D128 L130I50-L106 HydrophobicContact CD1-CD2 3.82Å; I50-L106 HydrophobicContact CG1-CD2 3.85Å; I50-L106 HydrophobicContact CG2-CD2 4.35Å; L55-L106 HydrophobicContact CD1-CD1 3.93Å; L55-L106 HydrophobicContact CD1-CD2 3.99Å; F57-L106 HydrophobicContact CB-CB 3.84Å; F57-L106 HydrophobicContact CD1-CB 3.83Å; F57-L106 HydrophobicContact CD1-CD2 3.95Å; F57-L106 HydrophobicContact CD1-CG 4.48Å; F57-L106 HydrophobicContact CD2-CB 3.99Å; F57-L106 HydrophobicContact CE1-CB 4.43Å; F57-L106 HydrophobicContact CE1-CD2 3.78Å; F57-L106 HydrophobicContact CG-CB 3.6Å; F57-L106 HydrophobicContact CG-CD2 4.45Å; F57-L106 HydrophobicContact CZ-CD2 4.09Å; R59-L106 PolarHBondContact O-N 3.44Å; V60-L106 CarbonylContact C-O 3.38Å; V60-L106 WeakPolarHBondContact CA-O 3.32Å; V60-L106 HydrophobicContact CG2-CB 4.41Å; V60-L106 HydrophobicContact CG2-CD2 4.47Å; V60-L106 HydrophobicContact CG2-CG 4.44Å; V60-L106 WeakPolarHBondContact CG2-O 3.24Å; C61-L106 PolarHBondContact N-O 3.31Å; L106-V108 HydrophobicContact CD2-CG2 4.36Å; L106-V108 HydrophobicContact CG-CG2 4.2Å; L106-D128 HydrophobicContact CD1-CB 4.03Å; L106-D128 WeakPolarHBondContact CD1-O 3.41Å; L106-L130 HydrophobicContact CD1-CB 4.18Å
107V86.6Confident76.6Confident0 Ų044 Ų440%025%0.25CC..EExtended strand (participates in β ladder)trans-87.4130.1172.7-179.50000109.1C61 V118 V126 D128 A129 L130C61-V107 HydrophobicContact CB-CG2 4.38Å; C61-V107 CarbonylContact O-C 3.52Å; C61-V107 VanDerWaalsContact O-CA 3.31Å; C61-V107 WeakPolarHBondContact O-CA 3.35Å; V107-V118 HydrophobicContact CB-CG1 4.1Å; V107-V118 HydrophobicContact CG1-CB 4.28Å; V107-V118 HydrophobicContact CG1-CG1 4.06Å; V107-V118 HydrophobicContact CG1-CG2 3.91Å; V107-V118 HydrophobicContact CG2-CG1 4.27Å; V107-V126 HydrophobicContact CB-CG1 4.25Å; V107-V126 HydrophobicContact CG2-CB 4.36Å; V107-V126 HydrophobicContact CG2-CG1 3.69Å; V107-V126 HydrophobicContact CG2-CG2 3.65Å; V107-D128 PolarHBondContact N-O 2.89Å; V107-A129 HydrophobicContact CB-CB 4.47Å; V107-A129 CarbonylContact O-C 3.54Å; V107-A129 VanDerWaalsContact O-CA 3.29Å; V107-A129 WeakPolarHBondContact O-CA 3.32Å; V107-L130 PolarHBondContact O-N 3.32Å
108V84.2Confident75.9Confident4 Ų442.2 Ų42.22%0.02423%0.231CC..EExtended strand (participates in β ladder)trans-113.3121.3175.7-178.10000108.9L46 V60 C61 I68 L106 L130L46-V108 HydrophobicContact CD1-CG1 4.15Å; L46-V108 HydrophobicContact CD2-CG1 3.75Å; L46-V108 HydrophobicContact CG-CG1 4.5Å; V60-V108 HydrophobicContact CG2-CG2 3.64Å; C61-V108 PolarHBondContact O-N 3.12Å; I68-V108 HydrophobicContact CD1-CB 3.66Å; I68-V108 HydrophobicContact CD1-CG1 4.24Å; I68-V108 WeakPolarHBondContact CD1-O 3.24Å; I68-V108 HydrophobicContact CG1-CB 4.11Å; I68-V108 HydrophobicContact CG1-CG1 4.28Å; L106-V108 HydrophobicContact CD2-CG2 4.36Å; L106-V108 HydrophobicContact CG-CG2 4.2Å; V108-L130 WeakPolarHBondContact CA-O 3.45Å; V108-L130 HydrophobicContact CG2-CB 4.27Å; V108-L130 HydrophobicContact CG2-CD2 4.49Å
109E80.9Confident75Confident10 Ų1036.4 Ų36.45%0.04720%0.2CC..EExtended strand (participates in β ladder)trans-128.6140.5-177-14783.1-16800110.5S117 V118 L130 I131 I132E109-S117 WeakPolarHBondContact OE1-CB 3.26Å; E109-S117 PolarHBondContact OE1-OG 3.19Å; E109-V118 HydrophobicContact CB-CG2 4.33Å; E109-V118 HydrophobicContact CG-CG2 4.41Å; E109-L130 PolarHBondContact N-O 2.97Å; E109-I131 WeakPolarHBondContact O-CA 3.37Å; E109-I132 PolarHBondContact O-N 3.48Å
110D78.6Confident74.5Confident56 Ų5636 Ų3630%0.29920%0.198SC..EExtended strand (participates in β ladder)trans-70.2-52.1176.757.9-18.9000111.7L35 I132 L133L35-D110 HydrophobicContact CD1-CB 3.51Å; L35-D110 HydrophobicContact CG-CB 3.71Å; D110-I132 WeakPolarHBondContact O-CB 3.42Å; D110-L133 PolarHBondContact O-N 2.95Å
111V78.6Confident74.2Confident24 Ų2431.7 Ų31.715%0.14518%0.176CC..EExtended strand (participates in β ladder)trans-138.8129.5-173.8-179.30000109.1I33 L133 R135I33-V111 HydrophobicContact CB-CG2 4.21Å; V111-L133 CarbonylContact C-O 3.58Å; V111-L133 WeakPolarHBondContact CA-O 3.5Å; V111-L133 HydrophobicContact CG1-CD2 4.22Å; V111-L133 HydrophobicContact CG2-CB 4.27Å; V111-L133 HydrophobicContact CG2-CD2 4.15Å; V111-R135 HydrophobicContact CG1-CG 3.85Å
112I79.1Confident74Confident1 Ų130.7 Ų30.71%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-106.6133.4168.1-167.3171.7000110.9G115 I131 L133 D134 R135 L143I112-G115 VanDerWaalsContact CG1-N 3.34Å; I112-I131 HydrophobicContact CB-CD1 3.83Å; I112-I131 HydrophobicContact CB-CG2 3.98Å; I112-I131 HydrophobicContact CD1-CD1 3.51Å; I112-I131 HydrophobicContact CG1-CD1 4.27Å; I112-I131 HydrophobicContact CG2-CD1 3.67Å; I112-I131 HydrophobicContact CG2-CG2 3.52Å; I112-L133 PolarHBondContact N-O 3Å; I112-D134 HydrophobicContact CG2-CB 4.03Å; I112-R135 WeakPolarHBondContact O-CB 3.32Å; I112-R135 PolarHBondContact O-N 3.08Å; I112-L143 HydrophobicContact CD1-CD1 3.33Å; I112-L143 HydrophobicContact CD1-CG 3.85Å
113T71.6Confident73.7Confident40 Ų4029 Ų2925%0.24515%0.151CC..SBendtrans-103.2-74.7165.252.40000109.1Q137 G139T113-Q137 VanDerWaalsContact CG2-OE1 3.27Å; T113-Q137 CarbonylContact O-C 3.52Å; T113-Q137 VanDerWaalsContact O-O 3.09Å; T113-G139 WeakPolarHBondContact O-CA 3.39Å; T113-G139 PolarHBondContact O-N 3.13Å
114H69Low73.2Confident85 Ų8529.2 Ų29.239%0.39415%0.152SC..SBendtrans-108.3-4.8-176.3-53.393.3000113.8T116 S142H114-T116 VanDerWaalsContact C-N 3.3Å; H114-T116 PolarHBondContact O-N 3.5Å; H114-S142 WeakPolarHBondContact O-CB 3.33Å; H114-S142 PolarHBondContact O-OG 2.92Å
115G71Confident73Confident1 Ų127.6 Ų27.61%0.0115%0.15CC..SBendtrans813-177.500000115.4I112 S117 V118 L119I112-G115 VanDerWaalsContact CG1-N 3.34Å; G115-S117 VanDerWaalsContact C-N 3.3Å; G115-S117 PolarHBondContact O-N 3.07Å; G115-V118 PolarHBondContact O-N 3Å; G115-L119 VanDerWaalsContact O-CG 3.3Å; G115-L119 WeakPolarHBondContact O-CG 2.98Å; G115-L119 PolarHBondContact O-N 3.24Å
116T69.2Low72.6Confident83 Ų8328.3 Ų28.351%0.50916%0.155SC..Hα-helixtrans-58.7-35.6-177.932.80000113.8H114 L119 R120H114-T116 VanDerWaalsContact C-N 3.3Å; H114-T116 PolarHBondContact O-N 3.5Å; T116-L119 PolarHBondContact O-N 2.6Å; T116-R120 VanDerWaalsContact O-CG 3.23Å; T116-R120 WeakPolarHBondContact O-CG 3.49Å; T116-R120 PolarHBondContact O-N 2.69Å
117S72.2Confident71.9Confident35 Ų3529.6 Ų29.625%0.24516%0.163CC..Hα-helixtrans-64.4-50.8176.953.60000111.6L82 E109 G115 L119 R120L82-S117 WeakPolarHBondContact CD2-O 3.28Å; E109-S117 WeakPolarHBondContact OE1-CB 3.26Å; E109-S117 PolarHBondContact OE1-OG 3.19Å; G115-S117 VanDerWaalsContact C-N 3.3Å; G115-S117 PolarHBondContact O-N 3.07Å; S117-L119 VanDerWaalsContact C-N 3.28Å; S117-L119 PolarHBondContact O-N 3.32Å; S117-R120 WeakPolarHBondContact O-CB 3.49Å; S117-R120 PolarHBondContact O-N 2.82Å
118V71.9Confident71.8Confident1 Ų130.4 Ų30.41%0.00617%0.167CC..Hα-helixtrans-58.8-40.1176.2179.50000111.5V107 E109 G115 R120 S121 V126 A129 L143 I148V107-V118 HydrophobicContact CB-CG1 4.1Å; V107-V118 HydrophobicContact CG1-CB 4.28Å; V107-V118 HydrophobicContact CG1-CG1 4.06Å; V107-V118 HydrophobicContact CG1-CG2 3.91Å; V107-V118 HydrophobicContact CG2-CG1 4.27Å; E109-V118 HydrophobicContact CB-CG2 4.33Å; E109-V118 HydrophobicContact CG-CG2 4.41Å; G115-V118 PolarHBondContact O-N 3Å; V118-R120 PolarHBondContact O-N 3.1Å; V118-S121 VanDerWaalsContact O-CB 3.27Å; V118-S121 WeakPolarHBondContact O-CB 3.37Å; V118-S121 PolarHBondContact O-N 3.06Å; V118-S121 PolarHBondContact O-OG 2.85Å; V118-V126 HydrophobicContact CG1-CG1 4.34Å; V118-A129 HydrophobicContact CG1-CB 3.93Å; V118-A129 HydrophobicContact CG2-CB 4.35Å; V118-L143 HydrophobicContact CB-CD1 4.43Å; V118-L143 HydrophobicContact CB-CD2 3.87Å; V118-L143 HydrophobicContact CG1-CD1 4.32Å; V118-L143 HydrophobicContact CG1-CD2 3.78Å; V118-L143 HydrophobicContact CG2-CD1 4.39Å; V118-I148 HydrophobicContact CG1-CD1 4.38Å; V118-I148 HydrophobicContact CG1-CG2 4.49Å
119L66.4Low71.9Confident40 Ų4030.2 Ų30.221%0.20917%0.166CC..Hα-helixtrans-69.1-15.4179.3-67.4173.1000113.9G115 T116 S117 S121 L143 F146 I148G115-L119 VanDerWaalsContact O-CG 3.3Å; G115-L119 WeakPolarHBondContact O-CG 2.98Å; G115-L119 PolarHBondContact O-N 3.24Å; T116-L119 PolarHBondContact O-N 2.6Å; S117-L119 VanDerWaalsContact C-N 3.28Å; S117-L119 PolarHBondContact O-N 3.32Å; L119-S121 PolarHBondContact O-N 3.3Å; L119-L143 HydrophobicContact CD2-CD2 3.92Å; L119-L143 HydrophobicContact CG-CD2 3.89Å; L119-F146 HydrophobicContact CD1-CD2 3.95Å; L119-F146 HydrophobicContact CD1-CE2 3.68Å; L119-F146 HydrophobicContact CD1-CZ 4.24Å; L119-F146 HydrophobicContact CD2-CB 3.86Å; L119-F146 HydrophobicContact CD2-CD1 3.94Å; L119-F146 HydrophobicContact CD2-CD2 3.5Å; L119-F146 HydrophobicContact CD2-CE1 4.39Å; L119-F146 HydrophobicContact CD2-CE2 3.97Å; L119-F146 HydrophobicContact CD2-CG 3.5Å; L119-F146 VanDerWaalsContact CD2-CG 3.5Å; L119-F146 HydrophobicContact CD2-CZ 4.4Å; L119-F146 HydrophobicContact CG-CD2 4.4Å; L119-I148 HydrophobicContact CD2-CD1 3.84Å
120R68.5Low72.1Confident49 Ų4929.8 Ų29.819%0.18516%0.164CC..THydrogen-bonded Turntrans-79.9-0.6175.2-72170.688.5-167.16.5113.8L82 K84 L94 T116 S117 V118 L122L82-R120 HydrophobicContact CD1-CB 4.49Å; L82-R120 WeakPolarHBondContact CD1-O 3.14Å; L82-R120 HydrophobicContact CD2-CB 4.25Å; K84-R120 PolarHBondContact O-NH1 2.7Å; K84-R120 PolarHBondContact O-NH2 2.84Å; L94-R120 HydrophobicContact CD2-CB 4.3Å; T116-R120 VanDerWaalsContact O-CG 3.23Å; T116-R120 WeakPolarHBondContact O-CG 3.49Å; T116-R120 PolarHBondContact O-N 2.69Å; S117-R120 WeakPolarHBondContact O-CB 3.49Å; S117-R120 PolarHBondContact O-N 2.82Å; V118-R120 PolarHBondContact O-N 3.1Å; R120-L122 PolarHBondContact O-N 3.02Å
121S64.7Low72.2Confident7 Ų727.2 Ų27.25%0.04915%0.15CC..  trans-70.146.2175.4-46.30000113.1V118 L119 G123 L124V118-S121 VanDerWaalsContact O-CB 3.27Å; V118-S121 WeakPolarHBondContact O-CB 3.37Å; V118-S121 PolarHBondContact O-N 3.06Å; V118-S121 PolarHBondContact O-OG 2.85Å; L119-S121 PolarHBondContact O-N 3.3Å; S121-G123 PolarHBondContact O-N 3.28Å; S121-L124 PolarHBondContact O-N 2.73Å
122L56.3Low72.1Confident43 Ų4326 Ų2623%0.22514%0.143CC..THydrogen-bonded Turntrans-61.1129.7-174.8-61.1178.5000110.4R120 Y191 V209R120-L122 PolarHBondContact O-N 3.02Å; L122-Y191 HydrophobicContact CD1-CE2 4Å; L122-Y191 WeakPolarHBondContact CD1-OH 3.36Å; L122-Y191 HydrophobicContact CD2-CE2 4.4Å; L122-Y191 WeakPolarHBondContact CD2-OH 3.38Å; L122-V209 HydrophobicContact CB-CG1 3.49Å; L122-V209 VanDerWaalsContact CB-CG1 3.49Å; L122-V209 HydrophobicContact CD2-CG1 4.26Å; L122-V209 HydrophobicContact CG-CG1 4.38Å
123G56.5Low72Confident7 Ų726.2 Ų26.27%0.07214%0.144CC..THydrogen-bonded Turntrans105.6-18.1-176.500000114.2G102 S121 V209G102-G123 PolarHBondContact N-O 2.7Å; S121-G123 PolarHBondContact O-N 3.28Å; G123-V209 VanDerWaalsContact CA-CG2 3.46Å
124L62.8Low72.2Confident20 Ų2024.9 Ų24.911%0.10514%0.136CC..SBendtrans-107.2142.1-172.1-55.8174.6000111.3C61 L80 V95 Y99 C105 S121 V126C61-L124 HydrophobicContact CB-CD1 4.28Å; L80-L124 HydrophobicContact CD1-CD1 3.6Å; L80-L124 HydrophobicContact CD1-CD2 3.44Å; L80-L124 VanDerWaalsContact CD1-CD2 3.44Å; L80-L124 HydrophobicContact CD1-CG 4.16Å; V95-L124 HydrophobicContact CG1-CD1 4.19Å; Y99-L124 HydrophobicContact CD2-CD2 3.49Å; Y99-L124 VanDerWaalsContact CD2-CD2 3.49Å; Y99-L124 HydrophobicContact CE2-CD2 3.99Å; Y99-L124 HydrophobicContact CG-CD2 3.86Å; C105-L124 HydrophobicContact CB-CB 3.97Å; C105-L124 HydrophobicContact CB-CD1 3.95Å; C105-L124 HydrophobicContact CB-CD2 4.34Å; C105-L124 HydrophobicContact CB-CG 4.31Å; S121-L124 PolarHBondContact O-N 2.73Å; L124-V126 HydrophobicContact CB-CG2 4.18Å; L124-V126 PolarHBondContact O-N 3.05Å
125L71.8Confident72.3Confident70 Ų7021.9 Ų21.937%0.36612%0.121SC..BIsolated β-bridgetrans-81.993.9167.6177.564.7000108.7G102 D103 R104 C105 T127G102-L125 VanDerWaalsContact O-CB 3.26Å; G102-L125 WeakPolarHBondContact O-CB 3.25Å; D103-L125 PolarHBondContact O-N 3.02Å; R104-L125 CarbonylContact C-O 3.55Å; R104-L125 VanDerWaalsContact CA-O 3.25Å; R104-L125 WeakPolarHBondContact CA-O 3.36Å; R104-L125 HydrophobicContact CB-CD2 4.42Å; R104-L125 HydrophobicContact CG-CD2 4.45Å; C105-L125 PolarHBondContact N-O 3.37Å; L125-T127 HydrophobicContact CD1-CG2 4.41Å; L125-T127 HydrophobicContact CG-CG2 4.16Å
126V76.8Confident72.1Confident16 Ų1624 Ų2410%0.09714%0.135CC..  trans-90.5108.9175.2-173.60000108.5V107 V118 L124 I148V107-V126 HydrophobicContact CB-CG1 4.25Å; V107-V126 HydrophobicContact CG2-CB 4.36Å; V107-V126 HydrophobicContact CG2-CG1 3.69Å; V107-V126 HydrophobicContact CG2-CG2 3.65Å; V118-V126 HydrophobicContact CG1-CG1 4.34Å; L124-V126 HydrophobicContact CB-CG2 4.18Å; L124-V126 PolarHBondContact O-N 3.05Å; V126-I148 HydrophobicContact CB-CD1 4.33Å; V126-I148 HydrophobicContact CB-CG1 4.26Å; V126-I148 HydrophobicContact CG1-CD1 4.36Å; V126-I148 HydrophobicContact CG1-CG1 4.2Å; V126-I148 HydrophobicContact CG1-CG2 4.03Å; V126-I148 VanDerWaalsContact O-CG1 3.24Å; V126-I148 WeakPolarHBondContact O-CG1 3.28Å
127T73.4Confident72.1Confident29 Ų2922.5 Ų22.518%0.17812%0.122CC..  trans-95.8-28.3172.658.10000112R104 L125 T149R104-T127 HydrophobicContact CG-CG2 4.43Å; L125-T127 HydrophobicContact CD1-CG2 4.41Å; L125-T127 HydrophobicContact CG-CG2 4.16Å; T127-T149 PolarHBondContact O-N 3.23Å
128D83.8Confident71.9Confident17 Ų1722.3 Ų22.39%0.09113%0.125CC..EExtended strand (participates in β ladder)trans-135.9134.8-174.2-63.3-92.4000109.4L55 L106 V107 T149 R151L55-D128 HydrophobicContact CD2-CB 4.01Å; L106-D128 HydrophobicContact CD1-CB 4.03Å; L106-D128 WeakPolarHBondContact CD1-O 3.41Å; V107-D128 PolarHBondContact N-O 2.89Å; D128-T149 WeakPolarHBondContact CA-O 3.44Å; D128-R151 IonicContact OD1-CZ 3.05Å; D128-R151 IonicContact OD1-NE 3.89Å; D128-R151 PolarHBondContact OD1-NE 3.27Å; D128-R151 IonicContact OD1-NH2 2.77Å; D128-R151 PolarHBondContact OD1-NH2 2.8Å
129A85.9Confident71.9Confident0 Ų022.2 Ų22.20%013%0.125CC..EExtended strand (participates in β ladder)trans-118.2120.6168.500000108.3V107 V118 I131 L143 I148 T149 R151V107-A129 HydrophobicContact CB-CB 4.47Å; V107-A129 CarbonylContact O-C 3.54Å; V107-A129 VanDerWaalsContact O-CA 3.29Å; V107-A129 WeakPolarHBondContact O-CA 3.32Å; V118-A129 HydrophobicContact CG1-CB 3.93Å; V118-A129 HydrophobicContact CG2-CB 4.35Å; A129-I131 HydrophobicContact CB-CD1 4.4Å; A129-I131 HydrophobicContact CB-CG1 4.23Å; A129-L143 HydrophobicContact CB-CD1 4.17Å; A129-I148 HydrophobicContact CB-CG2 3.87Å; A129-T149 PolarHBondContact N-O 3.18Å; A129-R151 PolarHBondContact O-N 3.41Å
130L85.7Confident72.4Confident2 Ų225.2 Ų25.21%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-86.1112.7174.1-171.866.5000108.5L46 L49 I50 L106 V107 V108 E109 R151L46-L130 HydrophobicContact CB-CD2 4.44Å; L46-L130 HydrophobicContact CD2-CD2 3.42Å; L46-L130 VanDerWaalsContact CD2-CD2 3.42Å; L46-L130 HydrophobicContact CD2-CG 4Å; L49-L130 HydrophobicContact CB-CD1 4.3Å; L49-L130 HydrophobicContact CB-CD2 4.01Å; I50-L130 HydrophobicContact CG1-CD2 3.87Å; L106-L130 HydrophobicContact CD1-CB 4.18Å; V107-L130 PolarHBondContact O-N 3.32Å; V108-L130 WeakPolarHBondContact CA-O 3.45Å; V108-L130 HydrophobicContact CG2-CB 4.27Å; V108-L130 HydrophobicContact CG2-CD2 4.49Å; E109-L130 PolarHBondContact N-O 2.97Å; L130-R151 HydrophobicContact CD1-CB 4.17Å
131I82.1Confident72.6Confident1 Ų127.9 Ų27.91%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-115.6126.3-172.5-56.4-169.7000108.1E109 I112 A129 L133 L143 A150 R151 R152 L153E109-I131 WeakPolarHBondContact O-CA 3.37Å; I112-I131 HydrophobicContact CB-CD1 3.83Å; I112-I131 HydrophobicContact CB-CG2 3.98Å; I112-I131 HydrophobicContact CD1-CD1 3.51Å; I112-I131 HydrophobicContact CG1-CD1 4.27Å; I112-I131 HydrophobicContact CG2-CD1 3.67Å; I112-I131 HydrophobicContact CG2-CG2 3.52Å; A129-I131 HydrophobicContact CB-CD1 4.4Å; A129-I131 HydrophobicContact CB-CG1 4.23Å; I131-L133 WeakPolarHBondContact CG2-O 3.37Å; I131-L143 HydrophobicContact CD1-CD1 3.87Å; I131-A150 HydrophobicContact CD1-CB 3.76Å; I131-R151 PolarHBondContact N-O 3.14Å; I131-R152 VanDerWaalsContact O-CA 3.22Å; I131-R152 WeakPolarHBondContact O-CA 3.28Å; I131-L153 PolarHBondContact O-N 3.42Å
132I76.5Confident72.9Confident0 Ų028.7 Ų28.70%016%0.155CC..EExtended strand (participates in β ladder)trans-73.3-57.7176.3-63-121.5000109F10 F16 I33 L35 L46 E109 D110 L153 M155F10-I132 HydrophobicContact CE2-CD1 3.7Å; F10-I132 HydrophobicContact CZ-CD1 4.49Å; F16-I132 HydrophobicContact CE1-CG2 4.27Å; F16-I132 HydrophobicContact CZ-CG2 4.24Å; I33-I132 HydrophobicContact CD1-CG2 4.26Å; I33-I132 HydrophobicContact CG2-CG2 4.21Å; L35-I132 HydrophobicContact CD1-CD1 4.19Å; L35-I132 HydrophobicContact CD1-CG1 3.98Å; L35-I132 HydrophobicContact CD2-CD1 3.73Å; L35-I132 HydrophobicContact CD2-CG1 4.17Å; L35-I132 HydrophobicContact CD2-CG2 4.36Å; L46-I132 HydrophobicContact CD1-CD1 4.21Å; L46-I132 HydrophobicContact CD2-CD1 3.79Å; L46-I132 HydrophobicContact CD2-CG1 4.03Å; L46-I132 HydrophobicContact CG-CD1 4.1Å; E109-I132 PolarHBondContact O-N 3.48Å; D110-I132 WeakPolarHBondContact O-CB 3.42Å; I132-L153 PolarHBondContact O-N 2.84Å; I132-M155 HydrophobicContact CG2-CE 3.67Å; I132-M155 WeakPolarHBondContact O-CE 3.47Å
133L75.8Confident73.6Confident4 Ų426.7 Ų26.72%0.02114%0.144CC..EExtended strand (participates in β ladder)trans-118.6126.5177.6174.974.1000113.2V31 I33 D110 V111 I112 I131 R135 M155 L177V31-L133 HydrophobicContact CG1-CD2 4.37Å; I33-L133 HydrophobicContact CD1-CB 3.15Å; I33-L133 HydrophobicContact CD1-CD1 4.17Å; I33-L133 HydrophobicContact CD1-CD2 3.44Å; I33-L133 VanDerWaalsContact CD1-CD2 3.44Å; I33-L133 HydrophobicContact CD1-CG 3.73Å; I33-L133 HydrophobicContact CG1-CB 4.5Å; I33-L133 HydrophobicContact CG1-CD2 4.14Å; D110-L133 PolarHBondContact O-N 2.95Å; V111-L133 CarbonylContact C-O 3.58Å; V111-L133 WeakPolarHBondContact CA-O 3.5Å; V111-L133 HydrophobicContact CG1-CD2 4.22Å; V111-L133 HydrophobicContact CG2-CB 4.27Å; V111-L133 HydrophobicContact CG2-CD2 4.15Å; I112-L133 PolarHBondContact N-O 3Å; I131-L133 WeakPolarHBondContact CG2-O 3.37Å; L133-R135 HydrophobicContact CD2-CG 4.16Å; L133-R135 HydrophobicContact CG-CG 4.43Å; L133-M155 HydrophobicContact CB-CE 4.11Å; L133-M155 HydrophobicContact CB-SD 4.3Å; L133-M155 HydrophobicContact CD1-CE 4.41Å; L133-M155 HydrophobicContact CD1-SD 3.74Å; L133-L177 HydrophobicContact CD1-CD2 4.38Å
134D75.3Confident74.3Confident13 Ų1329.7 Ų29.77%0.0716%0.164CC..EExtended strand (participates in β ladder)trans-95.3114.4165.7-175.10.2000108.7I112 C136 R152I112-D134 HydrophobicContact CG2-CB 4.03Å; D134-C136 PolarHBondContact O-N 2.82Å; D134-C136 WeakPolarHBondContact OD1-CA 3.4Å; D134-C136 PolarHBondContact OD1-N 2.85Å; D134-R152 HydrophobicContact CB-CB 4.31Å; D134-R152 IonicContact OD2-NH1 2.72Å
135R71.5Confident74.5Confident21 Ų2132.6 Ų32.68%0.07918%0.177CC..  trans-71.80.3174.1-74.3-177.2172.7168.73.7113.1V111 I112 L133 Q137 Y176 L177V111-R135 HydrophobicContact CG1-CG 3.85Å; I112-R135 WeakPolarHBondContact O-CB 3.32Å; I112-R135 PolarHBondContact O-N 3.08Å; L133-R135 HydrophobicContact CD2-CG 4.16Å; L133-R135 HydrophobicContact CG-CG 4.43Å; R135-Q137 HydrophobicContact CB-CG 4.17Å; R135-Q137 PolarHBondContact O-N 3.24Å; R135-Q137 VanDerWaalsContact O-N 3.13Å; R135-Y176 HydrophobicContact CG-CE1 4.19Å; R135-L177 HydrophobicContact CB-CD2 4.39Å; R135-L177 HydrophobicContact CG-CD2 4.47Å
136C67.1Low74.1Confident45 Ų4530.8 Ų30.830%0.30417%0.167SC..  trans57.722.4-177.3-60.80000113.1D134 G138 L177 S180D134-C136 PolarHBondContact O-N 2.82Å; D134-C136 WeakPolarHBondContact OD1-CA 3.4Å; D134-C136 PolarHBondContact OD1-N 2.85Å; C136-G138 PolarHBondContact O-N 2.83Å; C136-G138 VanDerWaalsContact O-N 3.15Å; C136-L177 WeakPolarHBondContact CB-O 3.4Å; C136-S180 WeakPolarHBondContact O-CB 3.34Å
137Q69.1Low73.6Confident53 Ų5332.8 Ų32.825%0.24819%0.191CC..SBendtrans-87.637.5179.2-73.9176.1-36.600112.2T113 R135 G139 S180T113-Q137 VanDerWaalsContact CG2-OE1 3.27Å; T113-Q137 CarbonylContact O-C 3.52Å; T113-Q137 VanDerWaalsContact O-O 3.09Å; R135-Q137 HydrophobicContact CB-CG 4.17Å; R135-Q137 PolarHBondContact O-N 3.24Å; R135-Q137 VanDerWaalsContact O-N 3.13Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 3.01Å; Q137-S180 WeakPolarHBondContact CG-OG 3.4Å
138G68.6Low73.7Confident30 Ų3031.9 Ų31.931%0.30918%0.184SC..SBendtrans81.6-6.8178.800000115.8C136 K140 K141 S142C136-G138 PolarHBondContact O-N 2.83Å; C136-G138 VanDerWaalsContact O-N 3.15Å; G138-K140 VanDerWaalsContact C-N 3.35Å; G138-K140 PolarHBondContact O-N 3.27Å; G138-K141 WeakPolarHBondContact O-CB 3.32Å; G138-K141 PolarHBondContact O-N 3.3Å; G138-S142 WeakPolarHBondContact O-CB 3.35Å; G138-S142 PolarHBondContact O-N 3.38Å
139G71.9Confident73.6Confident0 Ų034.5 Ų34.50%020%0.201CC..Hα-helixtrans-56.6-41.1-177.500000114.7T113 Q137 S142 L143T113-G139 WeakPolarHBondContact O-CA 3.39Å; T113-G139 PolarHBondContact O-N 3.13Å; Q137-G139 VanDerWaalsContact C-N 3.3Å; Q137-G139 PolarHBondContact O-N 3.01Å; G139-S142 WeakPolarHBondContact O-CB 3.41Å; G139-S142 PolarHBondContact O-N 3.45Å; G139-L143 WeakPolarHBondContact O-CB 3.34Å; G139-L143 WeakPolarHBondContact O-CG 3.42Å; G139-L143 PolarHBondContact O-N 3.17Å
140K76.9Confident73.5Confident102 Ų10235.2 Ų35.244%0.44321%0.207SC..Hα-helixtrans-62.1-44.7174.3179.2178.2179.8-165.70112.4G138 L143 S144 A150G138-K140 VanDerWaalsContact C-N 3.35Å; G138-K140 PolarHBondContact O-N 3.27Å; K140-L143 PolarHBondContact O-N 3.17Å; K140-S144 WeakPolarHBondContact O-CB 3.45Å; K140-S144 PolarHBondContact O-N 3.16Å; K140-S144 PolarHBondContact O-OG 2.86Å; K140-A150 HydrophobicContact CB-CB 4.43Å; K140-A150 HydrophobicContact CG-CB 4.18Å
141K71.2Confident73.3Confident106 Ų10638.9 Ų38.946%0.46122%0.221SC..Hα-helixtrans-64.3-46.5179.4-173.6175.9174.2-177.10109.6G138 S144 Q145 D182G138-K141 WeakPolarHBondContact O-CB 3.32Å; G138-K141 PolarHBondContact O-N 3.3Å; K141-S144 WeakPolarHBondContact CA-OG 3.28Å; K141-S144 PolarHBondContact O-N 2.75Å; K141-S144 PolarHBondContact O-OG 2.74Å; K141-Q145 WeakPolarHBondContact O-CG 3.48Å; K141-Q145 PolarHBondContact O-N 2.75Å; K141-Q145 VanDerWaalsContact O-N 3.12Å; K141-D182 VanDerWaalsContact NZ-CG 3.35Å; K141-D182 IonicContact NZ-OD1 3.65Å; K141-D182 PolarHBondContact NZ-OD1 3.45Å; K141-D182 IonicContact NZ-OD2 3.16Å; K141-D182 PolarHBondContact NZ-OD2 3.37Å
142S71.2Confident73.1Confident24 Ų2444.5 Ų44.517%0.16824%0.242CC..Hα-helixtrans-51.5-58.9172178.40000110.9H114 G138 G139 S144 Q145 F146H114-S142 WeakPolarHBondContact O-CB 3.33Å; H114-S142 PolarHBondContact O-OG 2.92Å; G138-S142 WeakPolarHBondContact O-CB 3.35Å; G138-S142 PolarHBondContact O-N 3.38Å; G139-S142 WeakPolarHBondContact O-CB 3.41Å; G139-S142 PolarHBondContact O-N 3.45Å; S142-S144 VanDerWaalsContact C-N 3.33Å; S142-S144 PolarHBondContact O-N 3.24Å; S142-Q145 WeakPolarHBondContact O-CB 3.38Å; S142-Q145 PolarHBondContact O-N 3.14Å; S142-Q145 VanDerWaalsContact O-N 3.12Å; S142-F146 VanDerWaalsContact O-CD2 3.26Å; S142-F146 WeakPolarHBondContact O-CD2 3.2Å
143L71.2Confident72.9Confident0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-58.4-40.4179.3-70-175.3000113.8I112 V118 L119 A129 I131 G139 K140 Q145 F146 G147 I148 A150I112-L143 HydrophobicContact CD1-CD1 3.33Å; I112-L143 HydrophobicContact CD1-CG 3.85Å; V118-L143 HydrophobicContact CB-CD1 4.43Å; V118-L143 HydrophobicContact CB-CD2 3.87Å; V118-L143 HydrophobicContact CG1-CD1 4.32Å; V118-L143 HydrophobicContact CG1-CD2 3.78Å; V118-L143 HydrophobicContact CG2-CD1 4.39Å; L119-L143 HydrophobicContact CD2-CD2 3.92Å; L119-L143 HydrophobicContact CG-CD2 3.89Å; A129-L143 HydrophobicContact CB-CD1 4.17Å; I131-L143 HydrophobicContact CD1-CD1 3.87Å; G139-L143 WeakPolarHBondContact O-CB 3.34Å; G139-L143 WeakPolarHBondContact O-CG 3.42Å; G139-L143 PolarHBondContact O-N 3.17Å; K140-L143 PolarHBondContact O-N 3.17Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 2.84Å; L143-F146 CarbonylContact O-C 3.56Å; L143-F146 WeakPolarHBondContact O-CA 3.45Å; L143-F146 PolarHBondContact O-N 3.39Å; L143-G147 PolarHBondContact O-N 3.39Å; L143-I148 CarbonylContact C-O 3.6Å; L143-I148 HydrophobicContact CB-CB 4.02Å; L143-I148 HydrophobicContact CB-CG2 4.18Å; L143-I148 HydrophobicContact CD1-CG2 4.24Å; L143-I148 HydrophobicContact CD2-CB 4.42Å; L143-I148 HydrophobicContact CD2-CD1 3.95Å; L143-I148 HydrophobicContact CD2-CG2 4.34Å; L143-I148 HydrophobicContact CG-CG2 4.49Å; L143-I148 WeakPolarHBondContact O-CB 3.31Å; L143-I148 PolarHBondContact O-N 3.47Å; L143-A150 HydrophobicContact CD1-CB 4.03Å
144S72Confident72.4Confident71 Ų7148 Ų4850%0.49727%0.27SS..Hα-helixtrans-63.1-33.1179.1690000113.2K140 K141 S142 F146 G147K140-S144 WeakPolarHBondContact O-CB 3.45Å; K140-S144 PolarHBondContact O-N 3.16Å; K140-S144 PolarHBondContact O-OG 2.86Å; K141-S144 WeakPolarHBondContact CA-OG 3.28Å; K141-S144 PolarHBondContact O-N 2.75Å; K141-S144 PolarHBondContact O-OG 2.74Å; S142-S144 VanDerWaalsContact C-N 3.33Å; S142-S144 PolarHBondContact O-N 3.24Å; S144-F146 PolarHBondContact O-N 3.05Å; S144-G147 PolarHBondContact O-N 3.45Å; S144-G147 VanDerWaalsContact O-N 3.08Å
145Q67.3Low72.5Confident81 Ų8147.7 Ų47.738%0.37927%0.268SS..Hα-helixtrans-64.3-22.9173.8-68170.1-5.800112.2K141 S142 L143 P214K141-Q145 WeakPolarHBondContact O-CG 3.48Å; K141-Q145 PolarHBondContact O-N 2.75Å; K141-Q145 VanDerWaalsContact O-N 3.12Å; S142-Q145 WeakPolarHBondContact O-CB 3.38Å; S142-Q145 PolarHBondContact O-N 3.14Å; S142-Q145 VanDerWaalsContact O-N 3.12Å; L143-Q145 VanDerWaalsContact C-N 3.28Å; L143-Q145 PolarHBondContact O-N 2.84Å; Q145-P214 WeakPolarHBondContact O-CB 3.2Å; Q145-P214 VanDerWaalsContact O-CG 3.27Å; Q145-P214 WeakPolarHBondContact O-CG 3.33Å
146F63.3Low72.6Confident32 Ų3247.3 Ų47.314%0.1427%0.268CS..THydrogen-bonded Turntrans-94.96.2176.5-70.3-93.4000113.7L119 S142 L143 S144 I148 T212 R217L119-F146 HydrophobicContact CD1-CD2 3.95Å; L119-F146 HydrophobicContact CD1-CE2 3.68Å; L119-F146 HydrophobicContact CD1-CZ 4.24Å; L119-F146 HydrophobicContact CD2-CB 3.86Å; L119-F146 HydrophobicContact CD2-CD1 3.94Å; L119-F146 HydrophobicContact CD2-CD2 3.5Å; L119-F146 HydrophobicContact CD2-CE1 4.39Å; L119-F146 HydrophobicContact CD2-CE2 3.97Å; L119-F146 HydrophobicContact CD2-CG 3.5Å; L119-F146 VanDerWaalsContact CD2-CG 3.5Å; L119-F146 HydrophobicContact CD2-CZ 4.4Å; L119-F146 HydrophobicContact CG-CD2 4.4Å; S142-F146 VanDerWaalsContact O-CD2 3.26Å; S142-F146 WeakPolarHBondContact O-CD2 3.2Å; L143-F146 CarbonylContact O-C 3.56Å; L143-F146 WeakPolarHBondContact O-CA 3.45Å; L143-F146 PolarHBondContact O-N 3.39Å; S144-F146 PolarHBondContact O-N 3.05Å; F146-I148 VanDerWaalsContact C-N 3.31Å; F146-I148 HydrophobicContact CB-CD1 4.04Å; F146-I148 HydrophobicContact CB-CG1 4.41Å; F146-T212 WeakPolarHBondContact CE1-O 3.46Å; F146-R217 PolarHBondContact O-NH2 3.46Å
147G65.4Low73.1Confident58 Ų5851.9 Ų51.960%0.59828%0.283SS*.THydrogen-bonded Turntrans79.511.4-176.400000114.1L143 S144L143-G147 PolarHBondContact O-N 3.39Å; S144-G147 PolarHBondContact O-N 3.45Å; S144-G147 VanDerWaalsContact O-N 3.08Å
148I75.2Confident73.8Confident10 Ų1050.7 Ų50.75%0.05128%0.276CS..  trans-96.6122.1-177.2-60.7160.5000109.7V118 L119 V126 A129 L143 F146 A150V118-I148 HydrophobicContact CG1-CD1 4.38Å; V118-I148 HydrophobicContact CG1-CG2 4.49Å; L119-I148 HydrophobicContact CD2-CD1 3.84Å; V126-I148 HydrophobicContact CB-CD1 4.33Å; V126-I148 HydrophobicContact CB-CG1 4.26Å; V126-I148 HydrophobicContact CG1-CD1 4.36Å; V126-I148 HydrophobicContact CG1-CG1 4.2Å; V126-I148 HydrophobicContact CG1-CG2 4.03Å; V126-I148 VanDerWaalsContact O-CG1 3.24Å; V126-I148 WeakPolarHBondContact O-CG1 3.28Å; A129-I148 HydrophobicContact CB-CG2 3.87Å; L143-I148 CarbonylContact C-O 3.6Å; L143-I148 HydrophobicContact CB-CB 4.02Å; L143-I148 HydrophobicContact CB-CG2 4.18Å; L143-I148 HydrophobicContact CD1-CG2 4.24Å; L143-I148 HydrophobicContact CD2-CB 4.42Å; L143-I148 HydrophobicContact CD2-CD1 3.95Å; L143-I148 HydrophobicContact CD2-CG2 4.34Å; L143-I148 HydrophobicContact CG-CG2 4.49Å; L143-I148 WeakPolarHBondContact O-CB 3.31Å; L143-I148 PolarHBondContact O-N 3.47Å; F146-I148 VanDerWaalsContact C-N 3.31Å; F146-I148 HydrophobicContact CB-CD1 4.04Å; F146-I148 HydrophobicContact CB-CG1 4.41Å; I148-A150 PolarHBondContact O-N 3.22Å
149T82.6Confident74.6Confident72 Ų7249.2 Ų49.244%0.44226%0.261SS..EExtended strand (participates in β ladder)trans-83.2108.8174-60.60000110.3T127 D128 A129 R151T127-T149 PolarHBondContact O-N 3.23Å; D128-T149 WeakPolarHBondContact CA-O 3.44Å; A129-T149 PolarHBondContact N-O 3.18Å; T149-R151 HydrophobicContact CG2-CG 4.13Å; T149-R151 PolarHBondContact O-N 2.87Å
150A83.4Confident75.3Confident14 Ų1454.4 Ų54.412%0.11628%0.281CS..EExtended strand (participates in β ladder)trans-76.1109.5171.900000111.1I131 K140 L143 I148I131-A150 HydrophobicContact CD1-CB 3.76Å; K140-A150 HydrophobicContact CB-CB 4.43Å; K140-A150 HydrophobicContact CG-CB 4.18Å; L143-A150 HydrophobicContact CD1-CB 4.03Å; I148-A150 PolarHBondContact O-N 3.22Å
151R82.2Confident75.6Confident80 Ų8053.8 Ų53.830%0.30229%0.29SS..EExtended strand (participates in β ladder)trans-97.3102.1177.7-61.5-171-173.9-98.20.6110D128 A129 L130 I131 T149D128-R151 IonicContact OD1-CZ 3.05Å; D128-R151 IonicContact OD1-NE 3.89Å; D128-R151 PolarHBondContact OD1-NE 3.27Å; D128-R151 IonicContact OD1-NH2 2.77Å; D128-R151 PolarHBondContact OD1-NH2 2.8Å; A129-R151 PolarHBondContact O-N 3.41Å; L130-R151 HydrophobicContact CD1-CB 4.17Å; I131-R151 PolarHBondContact N-O 3.14Å; T149-R151 HydrophobicContact CG2-CG 4.13Å; T149-R151 PolarHBondContact O-N 2.87Å
152R77.3Confident76.4Confident119 Ų11951.3 Ų51.345%0.44928%0.284SS..EExtended strand (participates in β ladder)trans-99151.3-173.262.7179.1-173.6155.63.3114.7R3 I131 D134R3-R152 PolarHBondContact NH2-O 2.91Å; I131-R152 VanDerWaalsContact O-CA 3.22Å; I131-R152 WeakPolarHBondContact O-CA 3.28Å; D134-R152 HydrophobicContact CB-CB 4.31Å; D134-R152 IonicContact OD2-NH1 2.72Å
153L71.9Confident77.2Confident9 Ų953.3 Ų53.35%0.04731%0.308CS..  trans-85.3122.7164.3-89.789.8000112.5L7 L49 I131 I132 M155L7-L153 HydrophobicContact CD1-CD2 4.26Å; L7-L153 HydrophobicContact CD2-CD2 3.45Å; L7-L153 VanDerWaalsContact CD2-CD2 3.45Å; L7-L153 HydrophobicContact CG-CD2 3.81Å; L49-L153 HydrophobicContact CD1-CD1 3.4Å; L49-L153 HydrophobicContact CD1-CD2 4.25Å; L49-L153 HydrophobicContact CD1-CG 4.4Å; L49-L153 HydrophobicContact CD2-CD1 3.74Å; L49-L153 HydrophobicContact CD2-CD2 4.07Å; L49-L153 HydrophobicContact CD2-CG 4.15Å; L49-L153 HydrophobicContact CG-CD1 4.15Å; I131-L153 PolarHBondContact O-N 3.42Å; I132-L153 PolarHBondContact O-N 2.84Å; L153-M155 HydrophobicContact CB-CE 4Å; L153-M155 PolarHBondContact O-N 3.25Å; L153-M155 VanDerWaalsContact O-N 3.17Å
154A65.5Low78Confident68 Ų6856.4 Ų56.456%0.56232%0.322SS*.  trans-80.692.1168.300000109.3
155M76.8Confident78.7Confident6 Ų653.4 Ų53.43%0.0330%0.3CS..  trans-102.3-44.1-170.364.3-168.552.100114.1L7 F16 I33 I132 L133 L153 K157 Y158 F159L7-M155 HydrophobicContact CD2-CB 3.94Å; F16-M155 HydrophobicContact CD1-SD 3.77Å; F16-M155 HydrophobicContact CE1-CB 4.33Å; F16-M155 HydrophobicContact CE1-CE 3.46Å; F16-M155 VanDerWaalsContact CE1-CE 3.46Å; F16-M155 HydrophobicContact CE1-CG 4.26Å; F16-M155 HydrophobicContact CE1-SD 3.17Å; F16-M155 WeakPolarHBondContact CE1-SD 3.25Å; F16-M155 HydrophobicContact CZ-CB 4.28Å; F16-M155 HydrophobicContact CZ-CE 3.79Å; F16-M155 HydrophobicContact CZ-SD 3.95Å; I33-M155 HydrophobicContact CD1-CE 4.1Å; I33-M155 HydrophobicContact CD1-SD 3.75Å; I132-M155 HydrophobicContact CG2-CE 3.67Å; I132-M155 WeakPolarHBondContact O-CE 3.47Å; L133-M155 HydrophobicContact CB-CE 4.11Å; L133-M155 HydrophobicContact CB-SD 4.3Å; L133-M155 HydrophobicContact CD1-CE 4.41Å; L133-M155 HydrophobicContact CD1-SD 3.74Å; L153-M155 HydrophobicContact CB-CE 4Å; L153-M155 PolarHBondContact O-N 3.25Å; L153-M155 VanDerWaalsContact O-N 3.17Å; M155-K157 PolarHBondContact O-N 3.25Å; M155-Y158 WeakPolarHBondContact O-CB 3.49Å; M155-Y158 PolarHBondContact O-N 3.42Å; M155-F159 HydrophobicContact CB-CD2 4.28Å; M155-F159 HydrophobicContact CB-CE2 3.83Å; M155-F159 HydrophobicContact CB-CZ 4.49Å; M155-F159 WeakPolarHBondContact O-CD2 3.42Å; M155-F159 PolarHBondContact O-N 3.01Å
156V74.8Confident79.8Confident13 Ų1352.3 Ų52.38%0.07930%0.302CS..Hα-helixtrans-67.8-44-166.5179.20000111.3Y158 F159 Y160 Y170 V173 L177V156-Y158 VanDerWaalsContact C-N 3.28Å; V156-Y158 PolarHBondContact O-N 3.34Å; V156-F159 PolarHBondContact O-N 2.98Å; V156-Y160 PolarHBondContact O-N 2.91Å; V156-Y170 HydrophobicContact CG1-CD2 3.58Å; V156-Y170 HydrophobicContact CG1-CE2 3.88Å; V156-V173 HydrophobicContact CB-CG1 4.39Å; V156-V173 HydrophobicContact CG1-CB 4.16Å; V156-V173 HydrophobicContact CG1-CG1 3.89Å; V156-V173 HydrophobicContact CG2-CG1 3.61Å; V156-L177 HydrophobicContact CG2-CD1 4.13Å
157K78Confident80.9Confident141 Ų14153 Ų5361%0.61331%0.314SS*.Hα-helixtrans-59.2-39172.4-84.6-172.8173.7-174.30112.5M155 S161 Y170M155-K157 PolarHBondContact O-N 3.25Å; K157-S161 WeakPolarHBondContact O-CB 3.25Å; K157-S161 PolarHBondContact O-N 3.44Å; K157-S161 PolarHBondContact O-OG 3.16Å; K157-Y170 HydrophobicContact CG-CE2 4.08Å
158Y82.5Confident82.2Confident28 Ų2856.5 Ų56.511%0.1131%0.314CS..Hα-helixtrans-67.9-45.9-179.9174.3-104.7000111.7H4 L7 D8 M155 V156 Y160 S161 T162H4-Y158 HydrophobicContact CB-CE1 4.47Å; H4-Y158 HydrophobicContact CB-CE2 3.73Å; H4-Y158 WeakPolarHBondContact CB-OH 3.49Å; H4-Y158 AromaticContact CD2-CD2 3.43Å; H4-Y158 VanDerWaalsContact CD2-CD2 3.43Å; H4-Y158 WeakPolarHBondContact CD2-CD2 3.2Å; H4-Y158 AromaticContact CD2-CE2 3.37Å; H4-Y158 WeakPolarHBondContact CD2-CE2 3.4Å; H4-Y158 AromaticContact CD2-CZ 3.94Å; H4-Y158 AromaticContact CG-CD2 3.98Å; H4-Y158 AromaticContact CG-CE2 3.44Å; H4-Y158 VanDerWaalsContact CG-CE2 3.44Å; H4-Y158 AromaticContact CG-CZ 3.87Å; H4-Y158 AromaticContact ND1-CE2 3.99Å; H4-Y158 AromaticContact NE2-CD2 3.73Å; H4-Y158 AromaticContact NE2-CE2 3.96Å; H4-Y158 PolarHBondContact O-OH 2.82Å; L7-Y158 HydrophobicContact CB-CD1 3.77Å; L7-Y158 HydrophobicContact CB-CE1 3.65Å; L7-Y158 HydrophobicContact CD1-CD1 3.66Å; L7-Y158 HydrophobicContact CD1-CE1 4.23Å; L7-Y158 HydrophobicContact CD1-CG 4.09Å; L7-Y158 HydrophobicContact CG-CD1 4.34Å; D8-Y158 VanDerWaalsContact OD1-CE1 3.31Å; D8-Y158 WeakPolarHBondContact OD1-CE1 3.47Å; D8-Y158 PolarHBondContact OD1-OH 2.93Å; D8-Y158 PolarHBondContact OD2-OH 3.38Å; M155-Y158 WeakPolarHBondContact O-CB 3.49Å; M155-Y158 PolarHBondContact O-N 3.42Å; V156-Y158 VanDerWaalsContact C-N 3.28Å; V156-Y158 PolarHBondContact O-N 3.34Å; Y158-Y160 VanDerWaalsContact C-N 3.32Å; Y158-Y160 PolarHBondContact O-N 3.38Å; Y158-S161 WeakPolarHBondContact CA-OG 3.49Å; Y158-S161 PolarHBondContact O-N 3.46Å; Y158-S161 PolarHBondContact O-OG 3.43Å; Y158-T162 HydrophobicContact CD2-CG2 4.2Å; Y158-T162 HydrophobicContact CE1-CG2 4.42Å; Y158-T162 HydrophobicContact CE2-CG2 3.69Å; Y158-T162 WeakPolarHBondContact O-CG2 3.37Å; Y158-T162 PolarHBondContact O-N 3.31Å; Y158-T162 PolarHBondContact O-OG1 3.41Å
159F85.3Confident82.8Confident0 Ų057.8 Ų57.80%032%0.321CS..Hα-helixtrans-64.2-36.8177.2-64.1-39.1000113.1L7 F11 F16 F18 M155 V156 T162 G163 K164 V165L7-F159 HydrophobicContact CB-CE1 3.95Å; L7-F159 HydrophobicContact CB-CZ 4.09Å; L7-F159 HydrophobicContact CD2-CZ 3.92Å; L7-F159 VanDerWaalsContact O-CE1 3.31Å; L7-F159 WeakPolarHBondContact O-CE1 3.28Å; L7-F159 WeakPolarHBondContact O-CZ 3.39Å; F11-F159 HydrophobicContact CB-CD1 4.35Å; F11-F159 HydrophobicContact CB-CE1 3.77Å; F11-F159 HydrophobicContact CB-CZ 4.09Å; F11-F159 AromaticContact CD2-CD1 3.94Å; F11-F159 HydrophobicContact CD2-CD1 3.94Å; F11-F159 HydrophobicContact CD2-CD2 4.25Å; F11-F159 HydrophobicContact CD2-CE1 4.06Å; F11-F159 HydrophobicContact CD2-CE2 4.35Å; F11-F159 HydrophobicContact CD2-CG 4.05Å; F11-F159 HydrophobicContact CD2-CZ 4.26Å; F11-F159 HydrophobicContact CG-CD1 4.42Å; F11-F159 HydrophobicContact CG-CE1 4.3Å; F16-F159 HydrophobicContact CB-CE2 4.12Å; F16-F159 AromaticContact CD1-CE2 3.97Å; F16-F159 HydrophobicContact CD1-CE2 3.97Å; F16-F159 HydrophobicContact CD2-CE1 4.48Å; F16-F159 AromaticContact CD2-CE2 3.32Å; F16-F159 HydrophobicContact CD2-CE2 3.32Å; F16-F159 AromaticContact CD2-CZ 3.27Å; F16-F159 HydrophobicContact CD2-CZ 3.27Å; F16-F159 HydrophobicContact CE1-CE2 4.28Å; F16-F159 AromaticContact CE2-CE2 3.6Å; F16-F159 HydrophobicContact CE2-CE2 3.6Å; F16-F159 AromaticContact CE2-CZ 3.37Å; F16-F159 HydrophobicContact CE2-CZ 3.37Å; F16-F159 AromaticContact CG-CE2 3.51Å; F16-F159 HydrophobicContact CG-CE2 3.51Å; F16-F159 AromaticContact CG-CZ 3.97Å; F16-F159 HydrophobicContact CG-CZ 3.97Å; F16-F159 HydrophobicContact CZ-CE2 4.09Å; F16-F159 HydrophobicContact CZ-CZ 4.2Å; F18-F159 HydrophobicContact CZ-CD2 4.03Å; M155-F159 HydrophobicContact CB-CD2 4.28Å; M155-F159 HydrophobicContact CB-CE2 3.83Å; M155-F159 HydrophobicContact CB-CZ 4.49Å; M155-F159 WeakPolarHBondContact O-CD2 3.42Å; M155-F159 PolarHBondContact O-N 3.01Å; V156-F159 PolarHBondContact O-N 2.98Å; F159-T162 PolarHBondContact O-N 2.91Å; F159-T162 PolarHBondContact O-OG1 3.33Å; F159-G163 PolarHBondContact O-N 3.11Å; F159-K164 HydrophobicContact CB-CB 4.27Å; F159-K164 HydrophobicContact CD1-CB 4.49Å; F159-K164 HydrophobicContact CD1-CD 4.09Å; F159-K164 PolarHBondContact O-N 3.14Å; F159-V165 HydrophobicContact CB-CB 4.25Å; F159-V165 HydrophobicContact CB-CG2 3.82Å; F159-V165 PolarHBondContact O-N 2.71Å
160Y86.4Confident83Confident108 Ų10856.2 Ų56.242%0.42431%0.308SS..Hα-helixtrans-65.7-47.9172.4-179.2-117.1000112V156 Y158 T162 G163 A167 Y170V156-Y160 PolarHBondContact O-N 2.91Å; Y158-Y160 VanDerWaalsContact C-N 3.32Å; Y158-Y160 PolarHBondContact O-N 3.38Å; Y160-T162 PolarHBondContact O-N 3.5Å; Y160-T162 VanDerWaalsContact O-N 3.09Å; Y160-G163 PolarHBondContact O-N 2.91Å; Y160-A167 HydrophobicContact CE2-CB 4.05Å; Y160-Y170 HydrophobicContact CD1-CD1 4.04Å; Y160-Y170 HydrophobicContact CD1-CD2 4.12Å; Y160-Y170 HydrophobicContact CD1-CE1 4.14Å; Y160-Y170 HydrophobicContact CD1-CE2 4.22Å; Y160-Y170 HydrophobicContact CD1-CG 4.03Å; Y160-Y170 HydrophobicContact CD2-CD1 4.3Å; Y160-Y170 HydrophobicContact CD2-CD2 4.33Å; Y160-Y170 AromaticContact CD2-CG 3.84Å; Y160-Y170 HydrophobicContact CD2-CG 3.84Å; Y160-Y170 HydrophobicContact CE1-CD1 4.26Å; Y160-Y170 HydrophobicContact CE1-CE1 4.39Å; Y160-Y170 HydrophobicContact CE2-CG 4.46Å; Y160-Y170 HydrophobicContact CG-CD1 4.05Å; Y160-Y170 AromaticContact CG-CD2 3.69Å; Y160-Y170 HydrophobicContact CG-CD2 3.69Å; Y160-Y170 HydrophobicContact CG-CE2 4.22Å; Y160-Y170 AromaticContact CG-CG 3.6Å; Y160-Y170 HydrophobicContact CG-CG 3.6Å
161S83.6Confident83.1Confident89 Ų8961.8 Ų61.862%0.62233%0.331SS*.Hα-helixtrans-62.9-20.4179.566.40000114.3K157 Y158K157-S161 WeakPolarHBondContact O-CB 3.25Å; K157-S161 PolarHBondContact O-N 3.44Å; K157-S161 PolarHBondContact O-OG 3.16Å; Y158-S161 WeakPolarHBondContact CA-OG 3.49Å; Y158-S161 PolarHBondContact O-N 3.46Å; Y158-S161 PolarHBondContact O-OG 3.43Å
162T88.8Confident83.5Confident54 Ų5462.2 Ų62.233%0.33133%0.333SS..THydrogen-bonded Turntrans-101.87.8178.856.20000113.1Y158 F159 Y160 K164Y158-T162 HydrophobicContact CD2-CG2 4.2Å; Y158-T162 HydrophobicContact CE1-CG2 4.42Å; Y158-T162 HydrophobicContact CE2-CG2 3.69Å; Y158-T162 WeakPolarHBondContact O-CG2 3.37Å; Y158-T162 PolarHBondContact O-N 3.31Å; Y158-T162 PolarHBondContact O-OG1 3.41Å; F159-T162 PolarHBondContact O-N 2.91Å; F159-T162 PolarHBondContact O-OG1 3.33Å; Y160-T162 PolarHBondContact O-N 3.5Å; Y160-T162 VanDerWaalsContact O-N 3.09Å; T162-K164 PolarHBondContact O-N 2.72Å; T162-K164 PolarHBondContact OG1-NZ 2.8Å
163G87.9Confident83.8Confident66 Ų6656.5 Ų56.568%0.6831%0.311SS*.THydrogen-bonded Turntrans71.310.817800000115F159 Y160 V165F159-G163 PolarHBondContact O-N 3.11Å; Y160-G163 PolarHBondContact O-N 2.91Å; G163-V165 VanDerWaalsContact C-N 3.35Å
164K88.2Confident84.3Confident65 Ų6560.8 Ų60.828%0.28333%0.33SS..SBendtrans-78.6-20.8-179.9-66.6-172.7175.775.40113D8 F11 F159 T162D8-K164 WeakPolarHBondContact OD1-CE 3.3Å; D8-K164 IonicContact OD1-NZ 2.63Å; D8-K164 PolarHBondContact OD1-NZ 3.3Å; D8-K164 IonicContact OD2-NZ 3.85Å; F11-K164 HydrophobicContact CB-CD 4.15Å; F11-K164 HydrophobicContact CD1-CB 4.23Å; F11-K164 HydrophobicContact CD1-CD 3.8Å; F11-K164 HydrophobicContact CD1-CG 4.34Å; F11-K164 HydrophobicContact CD2-CB 4.1Å; F11-K164 HydrophobicContact CD2-CD 4.29Å; F11-K164 HydrophobicContact CE1-CB 3.94Å; F11-K164 HydrophobicContact CE1-CD 4.31Å; F11-K164 HydrophobicContact CE1-CG 4.35Å; F11-K164 HydrophobicContact CE2-CB 3.79Å; F11-K164 HydrophobicContact CG-CB 4.32Å; F11-K164 HydrophobicContact CG-CD 3.81Å; F11-K164 HydrophobicContact CZ-CB 3.73Å; F11-K164 WeakPolarHBondContact CZ-O 3.45Å; F159-K164 HydrophobicContact CB-CB 4.27Å; F159-K164 HydrophobicContact CD1-CB 4.49Å; F159-K164 HydrophobicContact CD1-CD 4.09Å; F159-K164 PolarHBondContact O-N 3.14Å; T162-K164 PolarHBondContact O-N 2.72Å; T162-K164 PolarHBondContact OG1-NZ 2.8Å
165V87Confident85.2Confident8 Ų860.1 Ų60.15%0.04833%0.325CS..SBendtrans-123.1133.2179.3159.10000109.1F11 F18 F159 G163 N169F11-V165 HydrophobicContact CE2-CG2 4.12Å; F18-V165 HydrophobicContact CD1-CG2 4.02Å; F18-V165 HydrophobicContact CD2-CG2 3.76Å; F18-V165 HydrophobicContact CE1-CG2 3.66Å; F18-V165 HydrophobicContact CE2-CG2 3.4Å; F18-V165 VanDerWaalsContact CE2-CG2 3.4Å; F18-V165 HydrophobicContact CG-CG2 4.07Å; F18-V165 HydrophobicContact CZ-CG2 3.35Å; F159-V165 HydrophobicContact CB-CB 4.25Å; F159-V165 HydrophobicContact CB-CG2 3.82Å; F159-V165 PolarHBondContact O-N 2.71Å; G163-V165 VanDerWaalsContact C-N 3.35Å; V165-N169 HydrophobicContact CG1-CB 3.83Å
166S89.8Confident85.4Confident58 Ų5861.3 Ų61.341%0.40633%0.329SS..  trans-63.1153.4173.663.80000111.2E168 N169 Y170S166-E168 PolarHBondContact O-N 2.91Å; S166-N169 PolarHBondContact O-N 2.72Å; S166-N169 WeakPolarHBondContact OG-CB 3.3Å; S166-N169 PolarHBondContact OG-N 2.96Å; S166-N169 PolarHBondContact OG-ND2 3.41Å; S166-Y170 PolarHBondContact O-N 2.85Å
167A87.2Confident85.5Confident48 Ų4861.9 Ų61.940%0.39733%0.331SS..Hα-helixtrans-54.4-42.4175.700000111.8Y160 N169 Y170 E171Y160-A167 HydrophobicContact CE2-CB 4.05Å; A167-N169 PolarHBondContact O-N 3.25Å; A167-Y170 WeakPolarHBondContact O-CB 3.36Å; A167-Y170 PolarHBondContact O-N 2.99Å; A167-E171 WeakPolarHBondContact O-CG 3.39Å; A167-E171 PolarHBondContact O-N 2.89Å
168E90.7Very high85.1Confident130 Ų13058.6 Ų58.661%0.60733%0.326SS*.Hα-helixtrans-57.4-50.5176.1-174-170.9167.700112.4S166 Y170 E171 R172S166-E168 PolarHBondContact O-N 2.91Å; E168-Y170 VanDerWaalsContact C-N 3.34Å; E168-Y170 PolarHBondContact O-N 3.47Å; E168-E171 PolarHBondContact O-N 2.87Å; E168-R172 WeakPolarHBondContact O-CG 3.27Å; E168-R172 PolarHBondContact O-N 2.86Å
169N88.3Confident84.3Confident38 Ų3861.2 Ų61.220%0.20335%0.349CS..Hα-helixtrans-66.7-37.4178.9-81.1-27.5000111.6F18 V165 S166 A167 R172 V173F18-N169 HydrophobicContact CB-CB 4.36Å; V165-N169 HydrophobicContact CG1-CB 3.83Å; S166-N169 PolarHBondContact O-N 2.72Å; S166-N169 WeakPolarHBondContact OG-CB 3.3Å; S166-N169 PolarHBondContact OG-N 2.96Å; S166-N169 PolarHBondContact OG-ND2 3.41Å; A167-N169 PolarHBondContact O-N 3.25Å; N169-R172 PolarHBondContact O-N 2.99Å; N169-V173 WeakPolarHBondContact O-CB 3.22Å; N169-V173 VanDerWaalsContact O-CG2 3.25Å; N169-V173 WeakPolarHBondContact O-CG2 3.49Å; N169-V173 PolarHBondContact O-N 2.8Å
170Y86.9Confident82.6Confident38 Ų3863 Ų6315%0.14936%0.361CS..Hα-helixtrans-60-48.2174.8173.3-101.4000111.2V156 K157 Y160 S166 A167 E168 V173 F174V156-Y170 HydrophobicContact CG1-CD2 3.58Å; V156-Y170 HydrophobicContact CG1-CE2 3.88Å; K157-Y170 HydrophobicContact CG-CE2 4.08Å; Y160-Y170 HydrophobicContact CD1-CD1 4.04Å; Y160-Y170 HydrophobicContact CD1-CD2 4.12Å; Y160-Y170 HydrophobicContact CD1-CE1 4.14Å; Y160-Y170 HydrophobicContact CD1-CE2 4.22Å; Y160-Y170 HydrophobicContact CD1-CG 4.03Å; Y160-Y170 HydrophobicContact CD2-CD1 4.3Å; Y160-Y170 HydrophobicContact CD2-CD2 4.33Å; Y160-Y170 AromaticContact CD2-CG 3.84Å; Y160-Y170 HydrophobicContact CD2-CG 3.84Å; Y160-Y170 HydrophobicContact CE1-CD1 4.26Å; Y160-Y170 HydrophobicContact CE1-CE1 4.39Å; Y160-Y170 HydrophobicContact CE2-CG 4.46Å; Y160-Y170 HydrophobicContact CG-CD1 4.05Å; Y160-Y170 AromaticContact CG-CD2 3.69Å; Y160-Y170 HydrophobicContact CG-CD2 3.69Å; Y160-Y170 HydrophobicContact CG-CE2 4.22Å; Y160-Y170 AromaticContact CG-CG 3.6Å; Y160-Y170 HydrophobicContact CG-CG 3.6Å; S166-Y170 PolarHBondContact O-N 2.85Å; A167-Y170 WeakPolarHBondContact O-CB 3.36Å; A167-Y170 PolarHBondContact O-N 2.99Å; E168-Y170 VanDerWaalsContact C-N 3.34Å; E168-Y170 PolarHBondContact O-N 3.47Å; Y170-V173 PolarHBondContact O-N 3.11Å; Y170-F174 WeakPolarHBondContact O-CB 3.34Å; Y170-F174 PolarHBondContact O-N 2.98Å
171E86.7Confident80.3Confident132 Ų13262.5 Ų62.562%0.61737%0.373SS*.Hα-helixtrans-64.1-44.9179-74.5-173.3-179.100112A167 E168 V173 F174 A175A167-E171 WeakPolarHBondContact O-CG 3.39Å; A167-E171 PolarHBondContact O-N 2.89Å; E168-E171 PolarHBondContact O-N 2.87Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.88Å; E171-F174 PolarHBondContact O-N 3.17Å; E171-A175 VanDerWaalsContact O-CB 3.25Å; E171-A175 WeakPolarHBondContact O-CB 3.25Å; E171-A175 PolarHBondContact O-N 2.96Å
172R89.8Confident78Confident88 Ų8864.1 Ų64.133%0.33238%0.375SS..Hα-helixtrans-56.3-48.3175.4-74.617968.1176.86.8111.7E20 P30 E168 N169 Y176E20-R172 IonicContact OE2-NH2 3.13Å; E20-R172 PolarHBondContact OE2-NH2 3.16Å; E20-R172 VanDerWaalsContact OE2-NH2 3.13Å; P30-R172 HydrophobicContact CB-CB 3.91Å; E168-R172 WeakPolarHBondContact O-CG 3.27Å; E168-R172 PolarHBondContact O-N 2.86Å; N169-R172 PolarHBondContact O-N 2.99Å; R172-Y176 WeakPolarHBondContact O-CB 3.22Å; R172-Y176 PolarHBondContact O-N 3.14Å
173V84.2Confident75.3Confident0 Ų069.4 Ų69.40%040%0.396CS..Hα-helixtrans-69-42.3179.9178.30000111.1F18 P30 V31 V156 N169 Y170 E171 A175 Y176 L177F18-V173 HydrophobicContact CD1-CG2 3.93Å; F18-V173 HydrophobicContact CE1-CG2 4.16Å; P30-V173 HydrophobicContact CB-CG2 3.92Å; P30-V173 HydrophobicContact CG-CB 4.38Å; P30-V173 HydrophobicContact CG-CG2 3.91Å; V31-V173 HydrophobicContact CB-CG1 4.28Å; V31-V173 HydrophobicContact CB-CG2 3.87Å; V31-V173 HydrophobicContact CG1-CG1 3.91Å; V31-V173 HydrophobicContact CG1-CG2 4.24Å; V156-V173 HydrophobicContact CB-CG1 4.39Å; V156-V173 HydrophobicContact CG1-CB 4.16Å; V156-V173 HydrophobicContact CG1-CG1 3.89Å; V156-V173 HydrophobicContact CG2-CG1 3.61Å; N169-V173 WeakPolarHBondContact O-CB 3.22Å; N169-V173 VanDerWaalsContact O-CG2 3.25Å; N169-V173 WeakPolarHBondContact O-CG2 3.49Å; N169-V173 PolarHBondContact O-N 2.8Å; Y170-V173 PolarHBondContact O-N 3.11Å; E171-V173 VanDerWaalsContact C-N 3.34Å; E171-V173 PolarHBondContact O-N 2.88Å; V173-A175 VanDerWaalsContact C-N 3.35Å; V173-A175 PolarHBondContact O-N 2.75Å; V173-Y176 PolarHBondContact O-N 3.4Å; V173-L177 HydrophobicContact CG1-CD1 3.79Å; V173-L177 HydrophobicContact CG1-CG 4.14Å; V173-L177 WeakPolarHBondContact O-CB 3.44Å; V173-L177 VanDerWaalsContact O-CG 3.24Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.19Å
174F82.8Confident72.5Confident98 Ų9870.6 Ų70.643%0.4340%0.399SS..Hα-helixtrans-62.1-43.7178.1-172.2-92000111.5Y170 E171 L177 S178Y170-F174 WeakPolarHBondContact O-CB 3.34Å; Y170-F174 PolarHBondContact O-N 2.98Å; E171-F174 PolarHBondContact O-N 3.17Å; F174-L177 PolarHBondContact O-N 2.74Å; F174-S178 VanDerWaalsContact O-CB 3.23Å; F174-S178 WeakPolarHBondContact O-CB 3.36Å; F174-S178 PolarHBondContact O-N 3.3Å; F174-S178 PolarHBondContact O-OG 2.97Å
175A83Confident69.6Low55 Ų5574.1 Ų74.146%0.45542%0.42SS..Hα-helixtrans-61.3-47.2174.800000111.3E171 V173 L177 S178 S179E171-A175 VanDerWaalsContact O-CB 3.25Å; E171-A175 WeakPolarHBondContact O-CB 3.25Å; E171-A175 PolarHBondContact O-N 2.96Å; V173-A175 VanDerWaalsContact C-N 3.35Å; V173-A175 PolarHBondContact O-N 2.75Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 2.97Å; A175-S178 PolarHBondContact O-N 3.27Å; A175-S178 VanDerWaalsContact O-N 3.07Å; A175-S179 VanDerWaalsContact O-CB 3.3Å; A175-S179 WeakPolarHBondContact O-CB 3.48Å; A175-S179 PolarHBondContact O-N 2.94Å; A175-S179 PolarHBondContact O-OG 3.39Å
176Y81.9Confident67.1Low31 Ų3177.9 Ų77.912%0.12244%0.436CS..Hα-helixtrans-59.9-40.6176.8174.9-97.3000113.3L23 L28 S29 P30 R135 R172 V173 S178 S179L23-Y176 VanDerWaalsContact CD1-OH 3.3Å; L23-Y176 WeakPolarHBondContact CD1-OH 3.15Å; L28-Y176 WeakPolarHBondContact O-CE2 3.22Å; S29-Y176 WeakPolarHBondContact OG-CE1 3.42Å; P30-Y176 VanDerWaalsContact CG-CB 3.48Å; P30-Y176 HydrophobicContact CG-CD1 4.19Å; P30-Y176 HydrophobicContact CG-CD2 4.35Å; P30-Y176 HydrophobicContact CG-CG 3.77Å; R135-Y176 HydrophobicContact CG-CE1 4.19Å; R172-Y176 WeakPolarHBondContact O-CB 3.22Å; R172-Y176 PolarHBondContact O-N 3.14Å; V173-Y176 PolarHBondContact O-N 3.4Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; Y176-S179 PolarHBondContact O-OG 2.81Å
177L75.6Confident64.3Low25 Ų2581.1 Ų81.113%0.13145%0.448CS..Hα-helixtrans-76.9-15.8176.8-64.1178000112.8L133 R135 C136 V156 V173 F174 A175L133-L177 HydrophobicContact CD1-CD2 4.38Å; R135-L177 HydrophobicContact CB-CD2 4.39Å; R135-L177 HydrophobicContact CG-CD2 4.47Å; C136-L177 WeakPolarHBondContact CB-O 3.4Å; V156-L177 HydrophobicContact CG2-CD1 4.13Å; V173-L177 HydrophobicContact CG1-CD1 3.79Å; V173-L177 HydrophobicContact CG1-CG 4.14Å; V173-L177 WeakPolarHBondContact O-CB 3.44Å; V173-L177 VanDerWaalsContact O-CG 3.24Å; V173-L177 WeakPolarHBondContact O-CG 3.49Å; V173-L177 PolarHBondContact O-N 3.19Å; F174-L177 PolarHBondContact O-N 2.74Å; A175-L177 VanDerWaalsContact C-N 3.34Å; A175-L177 PolarHBondContact O-N 2.97Å
178S71.2Confident61.7Low71 Ų7181.2 Ų81.250%0.49745%0.445SS..Hα-helixtrans-101.2-20.8-178.9-55.40000112.8F174 A175 Y176 S180F174-S178 VanDerWaalsContact O-CB 3.23Å; F174-S178 WeakPolarHBondContact O-CB 3.36Å; F174-S178 PolarHBondContact O-N 3.3Å; F174-S178 PolarHBondContact O-OG 2.97Å; A175-S178 PolarHBondContact O-N 3.27Å; A175-S178 VanDerWaalsContact O-N 3.07Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; S178-S180 PolarHBondContact O-N 3.22Å; S178-S180 VanDerWaalsContact O-N 3.12Å
179S65Low58.7Low84 Ų8478.7 Ų78.759%0.58744%0.442SS*.  trans-75.26.7-175.161.10000114.9A175 Y176 S181A175-S179 VanDerWaalsContact O-CB 3.3Å; A175-S179 WeakPolarHBondContact O-CB 3.48Å; A175-S179 PolarHBondContact O-N 2.94Å; A175-S179 PolarHBondContact O-OG 3.39Å; Y176-S179 PolarHBondContact O-OG 2.81Å; S179-S181 PolarHBondContact O-N 2.89Å
180S50.1Low55.9Low36 Ų3682.8 Ų82.825%0.25246%0.463SS..  trans-99.678.2-176.9-56.60000111.2C136 Q137 S178 D182C136-S180 WeakPolarHBondContact O-CB 3.34Å; Q137-S180 WeakPolarHBondContact CG-OG 3.4Å; S178-S180 PolarHBondContact O-N 3.22Å; S178-S180 VanDerWaalsContact O-N 3.12Å; S180-D182 PolarHBondContact O-N 3.1Å
181S38.6Very low53.3Low99 Ų9983.6 Ų83.669%0.69247%0.466SS*.  trans-75.6105.3164.9480000109.8S179 E183S179-S181 PolarHBondContact O-N 2.89Å; S181-E183 PolarHBondContact O-N 3.45Å
182D34.5Very low50.6Low122 Ų12279.4 Ų79.465%0.65245%0.447SS*.  trans38.417.7144.6-96.4-25000121.2K141 S180 A184K141-D182 VanDerWaalsContact NZ-CG 3.35Å; K141-D182 IonicContact NZ-OD1 3.65Å; K141-D182 PolarHBondContact NZ-OD1 3.45Å; K141-D182 IonicContact NZ-OD2 3.16Å; K141-D182 PolarHBondContact NZ-OD2 3.37Å; S180-D182 PolarHBondContact O-N 3.1Å; D182-A184 VanDerWaalsContact C-N 3.33Å; D182-A184 PolarHBondContact O-N 2.97Å
183E31.3Very low47.7Very low166 Ų16681.5 Ų81.578%0.77647%0.465SS*.  trans-81.784.6170.8-79.6-170.2172.600109.9S181 L185S181-E183 PolarHBondContact O-N 3.45Å; E183-L185 PolarHBondContact O-N 3.24Å
184A29.4Very low45.2Very low90 Ų9084.5 Ų84.574%0.74448%0.48SS*.  trans-6386.1162.600000109.5D182 F186D182-A184 VanDerWaalsContact C-N 3.33Å; D182-A184 PolarHBondContact O-N 2.97Å; A184-F186 PolarHBondContact O-N 3.15Å
185L28.5Very low42.8Very low140 Ų14081 Ų8173%0.73347%0.466SS*.  trans-67.989.2155.8-96.5148.3000107.4E183 L187E183-L185 PolarHBondContact O-N 3.24Å; L185-L187 PolarHBondContact O-N 2.98Å
186F32.7Very low40.3Very low86 Ų8686 Ų8638%0.37748%0.481SS..  trans-56.1117.6170.2-145.4-105.9000107.6A184 P188 R330A184-F186 PolarHBondContact O-N 3.15Å; F186-P188 HydrophobicContact CD1-CB 4.17Å; F186-P188 HydrophobicContact CD1-CG 3.98Å; F186-P188 HydrophobicContact CE1-CB 4.36Å; F186-P188 WeakPolarHBondContact O-CD 3.28Å; F186-R330 VanDerWaalsContact CE2-NH2 3.3Å
187L31.4Very low38Very low127 Ų12790.3 Ų90.367%0.66551%0.506SS*.  trans-106.480.2170.5-88.8161.9000108.8L185 S189L185-L187 PolarHBondContact O-N 2.98Å; L187-S189 VanDerWaalsContact C-N 3.27Å
188P32.3Very low35.9Very low50 Ų5093.2 Ų93.233%0.32552%0.524SS..  trans-70.4-25.7171.625.7-27.7000111.7F186 L190F186-P188 HydrophobicContact CD1-CB 4.17Å; F186-P188 HydrophobicContact CD1-CG 3.98Å; F186-P188 HydrophobicContact CE1-CB 4.36Å; F186-P188 WeakPolarHBondContact O-CD 3.28Å; P188-L190 PolarHBondContact O-N 3.34Å
189S29.3Very low34.1Very low77 Ų7794.6 Ų94.654%0.53853%0.532SS..Hα-helixtrans-73.6-22.3-168380000116.2L187L187-S189 VanDerWaalsContact C-N 3.27Å
190L29.6Very low32.9Very low123 Ų12397.2 Ų97.264%0.64453%0.529SS*.Hα-helixtrans-89.7-16.8-178.6-142.687.2000113.9P188P188-L190 PolarHBondContact O-N 3.34Å
191Y30.9Very low32.2Very low55 Ų55101.3 Ų101.322%0.21655%0.548CS..Hα-helixtrans-89.5-28.6-179.2-164.2-95.3000112.1L122 L193 I194 V195 T212L122-Y191 HydrophobicContact CD1-CE2 4Å; L122-Y191 WeakPolarHBondContact CD1-OH 3.36Å; L122-Y191 HydrophobicContact CD2-CE2 4.4Å; L122-Y191 WeakPolarHBondContact CD2-OH 3.38Å; Y191-L193 VanDerWaalsContact C-N 3.34Å; Y191-L193 PolarHBondContact O-N 3.41Å; Y191-I194 PolarHBondContact O-N 2.75Å; Y191-V195 HydrophobicContact CE1-CG2 4.27Å; Y191-T212 HydrophobicContact CD1-CG2 4.39Å; Y191-T212 HydrophobicContact CE1-CG2 3.81Å
192L30Very low32Very low44 Ų4498.4 Ų98.423%0.2353%0.534CS..Hα-helixtrans-58.9-40.7178.9-118.198000113.7I194 E358L192-I194 PolarHBondContact O-N 2.93Å; L192-I194 VanDerWaalsContact O-N 3.09Å; L192-E358 HydrophobicContact CD1-CB 4.21Å; L192-E358 WeakPolarHBondContact CD1-O 3.08Å; L192-E358 HydrophobicContact CD2-CB 3.87Å; L192-E358 HydrophobicContact CD2-CG 3.82Å; L192-E358 WeakPolarHBondContact CD2-OE2 3.47Å
193L29.1Very low32Very low133 Ų13398.7 Ų98.770%0.69654%0.535SS*.THydrogen-bonded Turntrans-66.7-9.9-176.7-85.2155000115Y191Y191-L193 VanDerWaalsContact C-N 3.34Å; Y191-L193 PolarHBondContact O-N 3.41Å
194I32.7Very low32.9Very low63 Ų6393.5 Ų93.532%0.32351%0.508SS..THydrogen-bonded Turntrans-98.1-15.7-169.4-62.5174.7000112.6L94 Y191 L192L94-I194 HydrophobicContact CD1-CD1 4.16Å; L94-I194 HydrophobicContact CD1-CG2 3.49Å; L94-I194 VanDerWaalsContact CD1-CG2 3.49Å; Y191-I194 PolarHBondContact O-N 2.75Å; L192-I194 PolarHBondContact O-N 2.93Å; L192-I194 VanDerWaalsContact O-N 3.09Å
195V32.5Very low33.5Very low23 Ų2396.4 Ų96.414%0.13950%0.504CS..  trans-126.915.2-163.8-154.80000114.3Y191 D197 V198 F373Y191-V195 HydrophobicContact CE1-CG2 4.27Å; V195-D197 PolarHBondContact O-N 3.07Å; V195-V198 HydrophobicContact CG1-CG2 4.14Å; V195-F373 HydrophobicContact CB-CE1 3.57Å; V195-F373 HydrophobicContact CB-CZ 3.42Å; V195-F373 VanDerWaalsContact CB-CZ 3.42Å; V195-F373 HydrophobicContact CG1-CE1 3.47Å; V195-F373 VanDerWaalsContact CG1-CE1 3.47Å; V195-F373 HydrophobicContact CG1-CZ 3.81Å; V195-F373 HydrophobicContact CG2-CE1 3.73Å; V195-F373 HydrophobicContact CG2-CZ 3.76Å
196E29.8Very low34.4Very low161 Ų16193.6 Ų93.675%0.75249%0.49SS*.THydrogen-bonded Turntrans-62.3-2.6-178.8-73.6-173.5153.800115.4
197D33Very low35.5Very low122 Ų12291.4 Ų91.465%0.65248%0.479SS*.THydrogen-bonded Turntrans-12726.2-163-127.82.5000115.1K92 V195 P199K92-D197 IonicContact NZ-OD2 3.2Å; K92-D197 PolarHBondContact NZ-OD2 3.24Å; K92-D197 VanDerWaalsContact NZ-OD2 3.16Å; V195-D197 PolarHBondContact O-N 3.07Å; D197-P199 WeakPolarHBondContact O-CD 3.47Å
198V33.1Very low36.5Very low86 Ų8687.2 Ų87.252%0.52146%0.458SS..  trans-98.4107.1175.7-173.50000111V195 T372V195-V198 HydrophobicContact CG1-CG2 4.14Å; V198-T372 HydrophobicContact CB-CG2 4.09Å; V198-T372 HydrophobicContact CG1-CG2 4.37Å; V198-T372 VanDerWaalsContact O-CG2 3.31Å; V198-T372 WeakPolarHBondContact O-CG2 3.22Å
199P32.3Very low37.3Very low100 Ų10086.5 Ų86.565%0.64945%0.452SS*.  trans-65.4141.5177.7-15.830.2000111.2D197 N201D197-P199 WeakPolarHBondContact O-CD 3.47Å; P199-N201 PolarHBondContact O-N 2.71Å; P199-N201 VanDerWaalsContact O-N 3.13Å
200R40.9Very low38.7Very low139 Ų13983.7 Ų83.753%0.52543%0.432SS..SBendtrans-65.8-10.1177.7-72.7-176.3177.6-177.6-1.7114.7S369R200-S369 PolarHBondContact NH2-O 3.16Å
201N35.3Very low40.4Very low121 Ų12178 Ų7865%0.64740%0.403SS*.  trans-104.295.6-176.2-64.5-4.9000106.6P199 S441P199-N201 PolarHBondContact O-N 2.71Å; P199-N201 VanDerWaalsContact O-N 3.13Å; N201-S441 WeakPolarHBondContact CA-OXT 3.44Å; N201-S441 WeakPolarHBondContact CB-OXT 3.06Å
202G33.5Very low41.9Very low39 Ų3976.6 Ų76.640%0.40240%0.4SS..SBendtrans174.3134.5174.400000111Y204 S441G202-Y204 PolarHBondContact O-N 3.03Å; G202-S441 PolarHBondContact N-OXT 3.29Å
203L35.3Very low43.8Very low128 Ų12874.8 Ų74.867%0.6739%0.39SS*.  trans-42.7122.7-173.7-100.1115.8000113.7F205L203-F205 HydrophobicContact CD2-CD2 4.4Å; L203-F205 HydrophobicContact CD2-CE2 4.35Å; L203-F205 PolarHBondContact O-N 3.12Å
204Y49.8Very low45.8Very low56 Ų5669.8 Ų69.822%0.2237%0.366CS..SBendtrans-59.823.6-170.3-82.3-86000118.3G202 N206 W220 F436 R439G202-Y204 PolarHBondContact O-N 3.03Å; Y204-N206 VanDerWaalsContact C-N 3.3Å; Y204-N206 PolarHBondContact O-N 3.03Å; Y204-W220 AromaticContact CD1-CH2 3.71Å; Y204-W220 HydrophobicContact CD1-CH2 3.71Å; Y204-W220 HydrophobicContact CD1-CZ2 4.07Å; Y204-W220 HydrophobicContact CE1-CH2 4.33Å; Y204-W220 WeakPolarHBondContact O-CZ2 3.22Å; Y204-F436 HydrophobicContact CD1-CE2 4.07Å; Y204-F436 AromaticContact CD1-CZ 3.54Å; Y204-F436 HydrophobicContact CD1-CZ 3.54Å; Y204-F436 HydrophobicContact CD2-CE1 4.41Å; Y204-F436 HydrophobicContact CD2-CE2 4.46Å; Y204-F436 AromaticContact CD2-CZ 3.98Å; Y204-F436 HydrophobicContact CD2-CZ 3.98Å; Y204-F436 AromaticContact CE1-CE2 3.94Å; Y204-F436 HydrophobicContact CE1-CE2 3.94Å; Y204-F436 AromaticContact CE1-CZ 3.91Å; Y204-F436 HydrophobicContact CE1-CZ 3.91Å; Y204-F436 HydrophobicContact CE2-CE2 4.37Å; Y204-F436 HydrophobicContact CE2-CZ 4.34Å; Y204-F436 HydrophobicContact CG-CE1 4.12Å; Y204-F436 HydrophobicContact CG-CE2 4.31Å; Y204-F436 AromaticContact CG-CZ 3.55Å; Y204-F436 HydrophobicContact CG-CZ 3.55Å; Y204-R439 HydrophobicContact CE2-CB 4.29Å; Y204-R439 PolarHBondContact OH-NH1 2.98Å
205F42.3Very low48Very low152 Ų15267.6 Ų67.667%0.66736%0.355SS*.THydrogen-bonded Turntrans-79.9-7.5179.6-84.3-81.3000114.6V101 L203V101-F205 WeakPolarHBondContact CG1-O 3.24Å; L203-F205 HydrophobicContact CD2-CD2 4.4Å; L203-F205 HydrophobicContact CD2-CE2 4.35Å; L203-F205 PolarHBondContact O-N 3.12Å
206N46.5Very low50.2Low80 Ų8066.5 Ų66.543%0.42835%0.349SS..THydrogen-bonded Turntrans-115.85.2-169.8-127.4-15.1000114.6V101 Y204 N208 V209V101-N206 WeakPolarHBondContact CG1-OD1 3.3Å; V101-N206 VanDerWaalsContact CG2-CG 3.47Å; V101-N206 VanDerWaalsContact CG2-ND2 3.33Å; V101-N206 WeakPolarHBondContact CG2-ND2 3.15Å; V101-N206 WeakPolarHBondContact CG2-OD1 3.25Å; Y204-N206 VanDerWaalsContact C-N 3.3Å; Y204-N206 PolarHBondContact O-N 3.03Å; N206-N208 VanDerWaalsContact C-N 3.28Å; N206-N208 PolarHBondContact O-N 3.11Å; N206-V209 VanDerWaalsContact O-CB 3.29Å; N206-V209 WeakPolarHBondContact O-CB 3.48Å; N206-V209 PolarHBondContact O-N 3.27Å; N206-V209 VanDerWaalsContact O-N 3.15Å; N206-V209 WeakPolarHBondContact OD1-CG2 3.44Å
207R55.6Low52.4Low40 Ų4061.6 Ų61.615%0.15132%0.323CS..Hα-helixtrans-68.3-30.5-174.1-128.8-173.5176.9-165.91.8113.2V209 S210 L211 W220 S374 D407R207-V209 PolarHBondContact O-N 2.85Å; R207-S210 PolarHBondContact O-N 3.49Å; R207-S210 PolarHBondContact O-OG 3.4Å; R207-L211 VanDerWaalsContact O-CG 3.28Å; R207-L211 WeakPolarHBondContact O-CG 3.37Å; R207-L211 PolarHBondContact O-N 3.32Å; R207-W220 HydrophobicContact CB-CD2 4.21Å; R207-W220 HydrophobicContact CB-CH2 3.92Å; R207-W220 HydrophobicContact CB-CZ2 3.54Å; R207-W220 HydrophobicContact CB-CZ3 4.46Å; R207-W220 HydrophobicContact CG-CH2 4.4Å; R207-W220 HydrophobicContact CG-CZ2 4.47Å; R207-S374 PolarHBondContact NH2-O 2.95Å; R207-S374 VanDerWaalsContact NH2-O 3.1Å; R207-D407 IonicContact CZ-OD1 3.95Å; R207-D407 IonicContact CZ-OD2 3.54Å; R207-D407 IonicContact NH1-OD1 2.63Å; R207-D407 PolarHBondContact NH1-OD1 3.13Å; R207-D407 IonicContact NH1-OD2 3.69Å; R207-D407 PolarHBondContact NH1-OD2 3.1Å; R207-D407 IonicContact NH2-OD1 2.76Å; R207-D407 IonicContact NH2-OD2 3.76Å; R207-D407 PolarHBondContact NH2-OD2 3.41Å
208N52.7Low54.7Low40 Ų4060.7 Ų60.721%0.21431%0.311CS..Hα-helixtrans-55.4-24.3175.8-148.62.7000112.8N206 R217 W220N206-N208 VanDerWaalsContact C-N 3.28Å; N206-N208 PolarHBondContact O-N 3.11Å; N208-R217 WeakPolarHBondContact O-CD 3.31Å; N208-R217 WeakPolarHBondContact OD1-CA 3.32Å; N208-R217 WeakPolarHBondContact OD1-CB 3.45Å; N208-R217 WeakPolarHBondContact OD1-CG 3.21Å; N208-W220 HydrophobicContact CB-CG 4.45Å
209V49.5Very low57.3Low34 Ų3456.6 Ų56.621%0.20629%0.286CS..Hα-helixtrans-81.5-34-179.6-178.30000112.8V101 L122 G123 N206 R207V101-V209 HydrophobicContact CG1-CG2 4.4Å; L122-V209 HydrophobicContact CB-CG1 3.49Å; L122-V209 VanDerWaalsContact CB-CG1 3.49Å; L122-V209 HydrophobicContact CD2-CG1 4.26Å; L122-V209 HydrophobicContact CG-CG1 4.38Å; G123-V209 VanDerWaalsContact CA-CG2 3.46Å; N206-V209 VanDerWaalsContact O-CB 3.29Å; N206-V209 WeakPolarHBondContact O-CB 3.48Å; N206-V209 PolarHBondContact O-N 3.27Å; N206-V209 VanDerWaalsContact O-N 3.15Å; N206-V209 WeakPolarHBondContact OD1-CG2 3.44Å; R207-V209 PolarHBondContact O-N 2.85Å
210S57.7Low59.8Low18 Ų1852 Ų5213%0.12626%0.256CS..Hα-helixtrans-80.5-29.3175.159.40000111.1R207 T212 T372 F373R207-S210 PolarHBondContact O-N 3.49Å; R207-S210 PolarHBondContact O-OG 3.4Å; S210-T212 PolarHBondContact O-N 2.89Å; S210-T212 VanDerWaalsContact O-N 3.12Å; S210-T372 VanDerWaalsContact CB-O 3.28Å; S210-T372 WeakPolarHBondContact CB-O 3.41Å; S210-T372 PolarHBondContact OG-O 3.27Å; S210-F373 WeakPolarHBondContact O-CD1 3.48Å
211L65.4Low61.8Low4 Ų448.8 Ų48.82%0.02125%0.247CC..  trans-67.6111.9178.8-64.2174.5000111.8R207 A216 R217 W220 F373 L375R207-L211 VanDerWaalsContact O-CG 3.28Å; R207-L211 WeakPolarHBondContact O-CG 3.37Å; R207-L211 PolarHBondContact O-N 3.32Å; L211-A216 HydrophobicContact CB-CB 4.08Å; L211-A216 HydrophobicContact CD1-CB 4.19Å; L211-A216 HydrophobicContact CD2-CB 4.14Å; L211-A216 HydrophobicContact CG-CB 4.34Å; L211-R217 HydrophobicContact CB-CG 3.79Å; L211-R217 WeakPolarHBondContact O-CD 3.17Å; L211-R217 WeakPolarHBondContact O-CG 3.29Å; L211-W220 HydrophobicContact CD1-CB 3.92Å; L211-W220 HydrophobicContact CD1-CD2 4.46Å; L211-W220 HydrophobicContact CD1-CE3 4.49Å; L211-W220 HydrophobicContact CD1-CG 4.26Å; L211-F373 VanDerWaalsContact CD2-O 3.22Å; L211-F373 WeakPolarHBondContact CD2-O 3.47Å; L211-L375 HydrophobicContact CD1-CD1 4.18Å; L211-L375 HydrophobicContact CD1-CD2 3.9Å; L211-L375 HydrophobicContact CD1-CG 4.03Å; L211-L375 HydrophobicContact CD2-CD2 4.13Å; L211-L375 HydrophobicContact CD2-CG 3.94Å
212T63.2Low64.2Low26 Ų2643 Ų4316%0.1622%0.216CC..  trans-84.6-27.2-178.245.30000113.5F146 Y191 S210 P360F146-T212 WeakPolarHBondContact CE1-O 3.46Å; Y191-T212 HydrophobicContact CD1-CG2 4.39Å; Y191-T212 HydrophobicContact CE1-CG2 3.81Å; S210-T212 PolarHBondContact O-N 2.89Å; S210-T212 VanDerWaalsContact O-N 3.12Å; T212-P360 VanDerWaalsContact CB-CB 3.47Å; T212-P360 HydrophobicContact CG2-CB 3.73Å; T212-P360 VanDerWaalsContact OG1-CA 3.3Å; T212-P360 WeakPolarHBondContact OG1-CA 3.2Å; T212-P360 WeakPolarHBondContact OG1-CB 2.99Å; T212-P360 PolarHBondContact OG1-O 3.09Å
213H70.7Confident67Low6 Ų641.2 Ų41.23%0.02820%0.197CC..SBendtrans-81.3130.9-178.1-164.4-80.9000111.1T215 A216 R217 A333 A361H213-T215 VanDerWaalsContact C-N 3.33Å; H213-T215 PolarHBondContact CE1-OG1 3.42Å; H213-T215 VanDerWaalsContact CE1-OG1 3.22Å; H213-T215 WeakPolarHBondContact ND1-CB 3.49Å; H213-T215 PolarHBondContact ND1-N 3.32Å; H213-T215 VanDerWaalsContact ND1-N 3.14Å; H213-T215 PolarHBondContact ND1-OG1 2.86Å; H213-T215 PolarHBondContact O-N 2.93Å; H213-A216 HydrophobicContact CB-CB 3.95Å; H213-A216 VanDerWaalsContact O-CB 3.32Å; H213-A216 WeakPolarHBondContact O-CB 3.21Å; H213-A216 PolarHBondContact O-N 2.92Å; H213-R217 PolarHBondContact O-N 3.29Å; H213-R217 VanDerWaalsContact O-N 3.09Å; H213-A333 VanDerWaalsContact CE1-CB 3.46Å; H213-A333 WeakPolarHBondContact CE1-CB 3.2Å; H213-A361 PolarHBondContact CD2-O 3.13Å; H213-A361 VanDerWaalsContact CD2-O 3.23Å
214P70.3Confident69.4Low27 Ų2738.3 Ų38.318%0.17518%0.18CC..Hα-helixtrans-55.3-43.9179.5-26.634.6000113.7Q145 A216 R217 R218Q145-P214 WeakPolarHBondContact O-CB 3.2Å; Q145-P214 VanDerWaalsContact O-CG 3.27Å; Q145-P214 WeakPolarHBondContact O-CG 3.33Å; P214-A216 VanDerWaalsContact C-N 3.3Å; P214-A216 PolarHBondContact O-N 2.93Å; P214-R217 PolarHBondContact O-N 3.07Å; P214-R218 WeakPolarHBondContact O-CB 3.08Å; P214-R218 PolarHBondContact O-N 3.09Å
215T78.5Confident71.2Confident17 Ų1739.5 Ų39.510%0.10420%0.196CC..Hα-helixtrans-63.4-34.9176.2-480000112.6H213 R218 L219 L281 D311 M312 A333 L363H213-T215 VanDerWaalsContact C-N 3.33Å; H213-T215 PolarHBondContact CE1-OG1 3.42Å; H213-T215 VanDerWaalsContact CE1-OG1 3.22Å; H213-T215 WeakPolarHBondContact ND1-CB 3.49Å; H213-T215 PolarHBondContact ND1-N 3.32Å; H213-T215 VanDerWaalsContact ND1-N 3.14Å; H213-T215 PolarHBondContact ND1-OG1 2.86Å; H213-T215 PolarHBondContact O-N 2.93Å; T215-R218 PolarHBondContact O-N 3.03Å; T215-L219 WeakPolarHBondContact O-CB 3.19Å; T215-L219 PolarHBondContact O-N 3.33Å; T215-L281 HydrophobicContact CG2-CD1 3.75Å; T215-D311 HydrophobicContact CG2-CB 4.11Å; T215-M312 HydrophobicContact CG2-CG 3.68Å; T215-M312 HydrophobicContact CG2-SD 4.09Å; T215-A333 HydrophobicContact CG2-CB 4.07Å; T215-L363 HydrophobicContact CG2-CD1 4.48Å
216A79.9Confident73.6Confident1 Ų134 Ų341%0.00817%0.172CC..Hα-helixtrans-65.6-46.3176.900000110.9L211 H213 P214 R218 L219 W220 L363 L375L211-A216 HydrophobicContact CB-CB 4.08Å; L211-A216 HydrophobicContact CD1-CB 4.19Å; L211-A216 HydrophobicContact CD2-CB 4.14Å; L211-A216 HydrophobicContact CG-CB 4.34Å; H213-A216 HydrophobicContact CB-CB 3.95Å; H213-A216 VanDerWaalsContact O-CB 3.32Å; H213-A216 WeakPolarHBondContact O-CB 3.21Å; H213-A216 PolarHBondContact O-N 2.92Å; P214-A216 VanDerWaalsContact C-N 3.3Å; P214-A216 PolarHBondContact O-N 2.93Å; A216-R218 VanDerWaalsContact C-N 3.34Å; A216-R218 PolarHBondContact O-N 2.77Å; A216-L219 WeakPolarHBondContact O-CB 3.4Å; A216-L219 PolarHBondContact O-N 2.86Å; A216-W220 PolarHBondContact O-N 2.91Å; A216-L363 HydrophobicContact CB-CD1 4.36Å; A216-L363 HydrophobicContact CB-CD2 3.37Å; A216-L363 HydrophobicContact CB-CG 4.2Å; A216-L375 HydrophobicContact CB-CD1 4.24Å; A216-L375 WeakPolarHBondContact O-CD1 3.48Å
217R76Confident75.8Confident57 Ų5736.1 Ų36.122%0.21518%0.177CC..Hα-helixtrans-60.3-45.2174.8-68.6-168-64.7149.418.1111.5F146 N208 L211 H213 P214 L219 W220 E221F146-R217 PolarHBondContact O-NH2 3.46Å; N208-R217 WeakPolarHBondContact O-CD 3.31Å; N208-R217 WeakPolarHBondContact OD1-CA 3.32Å; N208-R217 WeakPolarHBondContact OD1-CB 3.45Å; N208-R217 WeakPolarHBondContact OD1-CG 3.21Å; L211-R217 HydrophobicContact CB-CG 3.79Å; L211-R217 WeakPolarHBondContact O-CD 3.17Å; L211-R217 WeakPolarHBondContact O-CG 3.29Å; H213-R217 PolarHBondContact O-N 3.29Å; H213-R217 VanDerWaalsContact O-N 3.09Å; P214-R217 PolarHBondContact O-N 3.07Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-L219 PolarHBondContact O-N 3.28Å; R217-W220 WeakPolarHBondContact O-CB 3.28Å; R217-W220 PolarHBondContact O-N 3.01Å; R217-W220 VanDerWaalsContact O-N 3.11Å; R217-E221 WeakPolarHBondContact O-CG 3.43Å; R217-E221 PolarHBondContact O-N 3.33Å
218R79.5Confident77.7Confident104 Ų10434.2 Ų34.239%0.39217%0.17SC..Hα-helixtrans-60.4-42.4176.6-177.258.1-179.8149.85.5112.2P214 T215 A216 W220 E221 I222 N279 L281P214-R218 WeakPolarHBondContact O-CB 3.08Å; P214-R218 PolarHBondContact O-N 3.09Å; T215-R218 PolarHBondContact O-N 3.03Å; A216-R218 VanDerWaalsContact C-N 3.34Å; A216-R218 PolarHBondContact O-N 2.77Å; R218-W220 VanDerWaalsContact C-N 3.32Å; R218-E221 IonicContact NH1-OE2 3.53Å; R218-E221 PolarHBondContact NH1-OE2 2.88Å; R218-E221 PolarHBondContact O-N 3.49Å; R218-I222 HydrophobicContact CG-CD1 4.13Å; R218-I222 VanDerWaalsContact O-CG1 3.28Å; R218-I222 WeakPolarHBondContact O-CG1 3.28Å; R218-I222 PolarHBondContact O-N 2.99Å; R218-N279 PolarHBondContact NH2-OD1 2.78Å; R218-L281 HydrophobicContact CG-CD2 3.95Å
219L87.9Confident79.7Confident0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-61-43.9174.9-179.549000110.7T215 A216 R217 I222 I223 C251 V252 L281 M312 L375 L377T215-L219 WeakPolarHBondContact O-CB 3.19Å; T215-L219 PolarHBondContact O-N 3.33Å; A216-L219 WeakPolarHBondContact O-CB 3.4Å; A216-L219 PolarHBondContact O-N 2.86Å; R217-L219 VanDerWaalsContact C-N 3.33Å; R217-L219 PolarHBondContact O-N 3.28Å; L219-I222 WeakPolarHBondContact O-CB 3.18Å; L219-I222 PolarHBondContact O-N 3.31Å; L219-I223 HydrophobicContact CD1-CD1 4.01Å; L219-I223 HydrophobicContact CD1-CG1 4.15Å; L219-I223 HydrophobicContact CG-CD1 3.88Å; L219-I223 HydrophobicContact CG-CG1 4.5Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.4Å; L219-I223 PolarHBondContact O-N 2.91Å; L219-C251 HydrophobicContact CD1-CB 3.98Å; L219-V252 HydrophobicContact CD1-CG2 3.43Å; L219-V252 VanDerWaalsContact CD1-CG2 3.43Å; L219-V252 HydrophobicContact CD2-CG2 4.14Å; L219-V252 HydrophobicContact CG-CG2 4.47Å; L219-L281 HydrophobicContact CB-CD1 3.69Å; L219-L281 HydrophobicContact CD1-CD1 4.26Å; L219-L281 HydrophobicContact CG-CD1 4.43Å; L219-M312 HydrophobicContact CD2-CE 4.42Å; L219-M312 HydrophobicContact CD2-SD 4.4Å; L219-L375 HydrophobicContact CB-CD1 3.93Å; L219-L375 HydrophobicContact CD2-CD1 3.69Å; L219-L375 HydrophobicContact CG-CD1 3.87Å; L219-L377 HydrophobicContact CD2-CD1 4.47Å
220W85.6Confident81.9Confident2 Ų230.7 Ų30.71%0.00815%0.15CC..Hα-helixtrans-60.2-46.6177.1-162-98.2000112.7Y204 R207 N208 L211 A216 R217 R218 I222 I223 E224 L375 F436Y204-W220 AromaticContact CD1-CH2 3.71Å; Y204-W220 HydrophobicContact CD1-CH2 3.71Å; Y204-W220 HydrophobicContact CD1-CZ2 4.07Å; Y204-W220 HydrophobicContact CE1-CH2 4.33Å; Y204-W220 WeakPolarHBondContact O-CZ2 3.22Å; R207-W220 HydrophobicContact CB-CD2 4.21Å; R207-W220 HydrophobicContact CB-CH2 3.92Å; R207-W220 HydrophobicContact CB-CZ2 3.54Å; R207-W220 HydrophobicContact CB-CZ3 4.46Å; R207-W220 HydrophobicContact CG-CH2 4.4Å; R207-W220 HydrophobicContact CG-CZ2 4.47Å; N208-W220 HydrophobicContact CB-CG 4.45Å; L211-W220 HydrophobicContact CD1-CB 3.92Å; L211-W220 HydrophobicContact CD1-CD2 4.46Å; L211-W220 HydrophobicContact CD1-CE3 4.49Å; L211-W220 HydrophobicContact CD1-CG 4.26Å; A216-W220 PolarHBondContact O-N 2.91Å; R217-W220 WeakPolarHBondContact O-CB 3.28Å; R217-W220 PolarHBondContact O-N 3.01Å; R217-W220 VanDerWaalsContact O-N 3.11Å; R218-W220 VanDerWaalsContact C-N 3.32Å; W220-I222 VanDerWaalsContact C-N 3.28Å; W220-I222 PolarHBondContact O-N 3.23Å; W220-I223 HydrophobicContact CE3-CD1 4.36Å; W220-I223 WeakPolarHBondContact O-CB 3.2Å; W220-I223 PolarHBondContact O-N 3.08Å; W220-I223 VanDerWaalsContact O-N 3.11Å; W220-E224 VanDerWaalsContact CD1-CD 3.43Å; W220-E224 PolarHBondContact NE1-OE1 2.93Å; W220-E224 PolarHBondContact O-N 3.03Å; W220-L375 HydrophobicContact CE3-CD2 3.46Å; W220-L375 VanDerWaalsContact CE3-CD2 3.46Å; W220-L375 HydrophobicContact CZ3-CD2 3.59Å; W220-F436 HydrophobicContact CH2-CE2 4.24Å; W220-F436 AromaticContact CH2-CZ 3.59Å; W220-F436 HydrophobicContact CH2-CZ 3.59Å; W220-F436 HydrophobicContact CZ2-CZ 4.22Å; W220-F436 HydrophobicContact CZ3-CZ 4.37Å
221E82.8Confident83.8Confident72 Ų7229.8 Ų29.834%0.33614%0.144SC..Hα-helixtrans-58.1-40.5175.7-69.6169.7-179.500112.2R217 R218 S225R217-E221 WeakPolarHBondContact O-CG 3.43Å; R217-E221 PolarHBondContact O-N 3.33Å; R218-E221 IonicContact NH1-OE2 3.53Å; R218-E221 PolarHBondContact NH1-OE2 2.88Å; R218-E221 PolarHBondContact O-N 3.49Å; E221-S225 WeakPolarHBondContact O-CB 3.32Å; E221-S225 PolarHBondContact O-N 2.83Å; E221-S225 PolarHBondContact O-OG 2.81Å
222I86.4Confident85.3Confident0 Ų029.7 Ų29.70%014%0.144CC..Hα-helixtrans-64.8-45.1176.2-70.7167.3000110.1R218 L219 W220 E224 S225 K226 C251 N279 L281R218-I222 HydrophobicContact CG-CD1 4.13Å; R218-I222 VanDerWaalsContact O-CG1 3.28Å; R218-I222 WeakPolarHBondContact O-CG1 3.28Å; R218-I222 PolarHBondContact O-N 2.99Å; L219-I222 WeakPolarHBondContact O-CB 3.18Å; L219-I222 PolarHBondContact O-N 3.31Å; W220-I222 VanDerWaalsContact C-N 3.28Å; W220-I222 PolarHBondContact O-N 3.23Å; I222-E224 PolarHBondContact O-N 3.07Å; I222-S225 WeakPolarHBondContact CA-OG 3.38Å; I222-S225 PolarHBondContact O-OG 3.23Å; I222-K226 HydrophobicContact CG2-CD 3.65Å; I222-K226 VanDerWaalsContact O-CB 3.28Å; I222-K226 WeakPolarHBondContact O-CB 3.36Å; I222-K226 WeakPolarHBondContact O-CG 3.43Å; I222-K226 PolarHBondContact O-N 3.13Å; I222-C251 HydrophobicContact CG2-CB 3.74Å; I222-N279 VanDerWaalsContact CG2-O 3.3Å; I222-N279 WeakPolarHBondContact CG2-O 3.5Å; I222-L281 HydrophobicContact CD1-CD2 3.87Å; I222-L281 HydrophobicContact CD1-CG 3.75Å
223I90.5Very high86.8Confident2 Ų228.7 Ų28.71%0.0114%0.138CC..Hα-helixtrans-59.1-49.2178.7-70.5165000110.8L219 W220 K227 S228 N229 C251 V408 W433L219-I223 HydrophobicContact CD1-CD1 4.01Å; L219-I223 HydrophobicContact CD1-CG1 4.15Å; L219-I223 HydrophobicContact CG-CD1 3.88Å; L219-I223 HydrophobicContact CG-CG1 4.5Å; L219-I223 VanDerWaalsContact O-CG1 3.25Å; L219-I223 WeakPolarHBondContact O-CG1 3.4Å; L219-I223 PolarHBondContact O-N 2.91Å; W220-I223 HydrophobicContact CE3-CD1 4.36Å; W220-I223 WeakPolarHBondContact O-CB 3.2Å; W220-I223 PolarHBondContact O-N 3.08Å; W220-I223 VanDerWaalsContact O-N 3.11Å; I223-K227 WeakPolarHBondContact O-CA 3.41Å; I223-K227 PolarHBondContact O-N 3.46Å; I223-S228 VanDerWaalsContact CA-O 3.3Å; I223-S228 WeakPolarHBondContact CA-O 3.49Å; I223-S228 WeakPolarHBondContact CG1-O 3.12Å; I223-S228 PolarHBondContact O-N 3.11Å; I223-S228 VanDerWaalsContact O-N 3.07Å; I223-N229 HydrophobicContact CG2-CB 4.03Å; I223-C251 HydrophobicContact CG1-CB 3.8Å; I223-V408 HydrophobicContact CD1-CG2 3.58Å; I223-V408 HydrophobicContact CG1-CG2 4.49Å; I223-W433 HydrophobicContact CG2-CE3 4.45Å; I223-W433 HydrophobicContact CG2-CH2 4.36Å; I223-W433 HydrophobicContact CG2-CZ3 3.59Å
224E86.8Confident87.9Confident67 Ų6728.5 Ų28.531%0.31314%0.137SC..Hα-helixtrans-65.7-49.6-179.8-72.2-176.7146.900111.9W220 I222 K226 K227W220-E224 VanDerWaalsContact CD1-CD 3.43Å; W220-E224 PolarHBondContact NE1-OE1 2.93Å; W220-E224 PolarHBondContact O-N 3.03Å; I222-E224 PolarHBondContact O-N 3.07Å; E224-K226 VanDerWaalsContact C-N 3.32Å; E224-K226 PolarHBondContact O-N 2.87Å; E224-K227 PolarHBondContact O-N 2.76Å
225S87.5Confident89.1Confident80 Ų8030.6 Ų30.656%0.55915%0.147SC*.Hα-helixtrans-63.1-38.4-177.6590000112.6E221 I222E221-S225 WeakPolarHBondContact O-CB 3.32Å; E221-S225 PolarHBondContact O-N 2.83Å; E221-S225 PolarHBondContact O-OG 2.81Å; I222-S225 WeakPolarHBondContact CA-OG 3.38Å; I222-S225 PolarHBondContact O-OG 3.23Å
226K92.3Very high89.9Confident37 Ų3730.6 Ų30.616%0.16115%0.146CC..Hα-helixtrans-92.3-8.5-177.9-61.2175.174.71680113.1I222 E224 S228 S248 V250 K278 N279 R429I222-K226 HydrophobicContact CG2-CD 3.65Å; I222-K226 VanDerWaalsContact O-CB 3.28Å; I222-K226 WeakPolarHBondContact O-CB 3.36Å; I222-K226 WeakPolarHBondContact O-CG 3.43Å; I222-K226 PolarHBondContact O-N 3.13Å; E224-K226 VanDerWaalsContact C-N 3.32Å; E224-K226 PolarHBondContact O-N 2.87Å; K226-S228 PolarHBondContact O-N 3.29Å; K226-S248 WeakPolarHBondContact CE-O 3.36Å; K226-S248 PolarHBondContact NZ-O 3.13Å; K226-V250 WeakPolarHBondContact CE-O 3.41Å; K226-V250 PolarHBondContact NZ-O 3.42Å; K226-K278 PolarHBondContact NZ-O 2.63Å; K226-N279 HydrophobicContact CD-CB 4.39Å; K226-N279 WeakPolarHBondContact CD-O 3.33Å; K226-N279 PolarHBondContact NZ-O 2.02Å; K226-R429 PolarHBondContact O-NH1 3.1Å
227K93.6Very high90.8Very high124 Ų12436 Ų3654%0.53917%0.171SC..THydrogen-bonded Turntrans46.651.5-168-61.4-177.2-179.3-178.70109.7I223 E224 R429 W433I223-K227 WeakPolarHBondContact O-CA 3.41Å; I223-K227 PolarHBondContact O-N 3.46Å; E224-K227 PolarHBondContact O-N 2.76Å; K227-R429 PolarHBondContact O-NH1 3.06Å; K227-W433 HydrophobicContact CB-CD2 3.94Å; K227-W433 HydrophobicContact CB-CG 4.22Å; K227-W433 HydrophobicContact CB-CZ2 3.98Å; K227-W433 HydrophobicContact CG-CZ2 3.91Å
228S95.2Very high91.8Very high0 Ų035.5 Ų35.50%017%0.174CC..  trans-143.9113.4-174.5-177.80000109.9I223 K226 L230 L249 C251I223-S228 VanDerWaalsContact CA-O 3.3Å; I223-S228 WeakPolarHBondContact CA-O 3.49Å; I223-S228 WeakPolarHBondContact CG1-O 3.12Å; I223-S228 PolarHBondContact O-N 3.11Å; I223-S228 VanDerWaalsContact O-N 3.07Å; K226-S228 PolarHBondContact O-N 3.29Å; S228-L230 PolarHBondContact OG-N 3.05Å; S228-L249 WeakPolarHBondContact CB-O 3.47Å; S228-L249 PolarHBondContact OG-O 3.23Å; S228-C251 VanDerWaalsContact O-CB 3.28Å; S228-C251 WeakPolarHBondContact O-CB 3.4Å
229N94.7Very high92.6Very high0 Ų032.7 Ų32.70%016%0.164CC..  trans-109.236.817063.7-37.2000110.9I223 D407 V408 A409 A432 W433I223-N229 HydrophobicContact CG2-CB 4.03Å; N229-D407 WeakPolarHBondContact CB-O 3.45Å; N229-D407 PolarHBondContact ND2-O 3.29Å; N229-V408 HydrophobicContact CB-CG2 4.49Å; N229-V408 VanDerWaalsContact O-CA 3.29Å; N229-V408 WeakPolarHBondContact O-CA 3.37Å; N229-A409 PolarHBondContact O-N 2.74Å; N229-A432 PolarHBondContact ND2-O 2.9Å; N229-A432 VanDerWaalsContact OD1-CB 3.25Å; N229-A432 WeakPolarHBondContact OD1-CB 3.2Å; N229-A432 PolarHBondContact OD1-O 3.26Å; N229-W433 WeakPolarHBondContact OD1-CA 3.41Å; N229-W433 PolarHBondContact OD1-N 3.47Å; N229-W433 VanDerWaalsContact OD1-N 3.16Å
230L96.5Very high93.1Very high0 Ų038 Ų380%019%0.193CC..EExtended strand (participates in β ladder)trans-106.6125.7-179.7-174.469000110.3S228 V250 C251 I397 V411 I415 T425 L428 R429S228-L230 PolarHBondContact OG-N 3.05Å; L230-V250 HydrophobicContact CD2-CG1 4.25Å; L230-V250 HydrophobicContact CG-CG1 4.39Å; L230-V250 CarbonylContact O-C 3.53Å; L230-V250 VanDerWaalsContact O-CA 3.3Å; L230-V250 WeakPolarHBondContact O-CA 3.47Å; L230-V250 WeakPolarHBondContact O-CB 3.2Å; L230-C251 PolarHBondContact O-N 3.07Å; L230-C251 PolarHBondContact O-SG 3.28Å; L230-I397 HydrophobicContact CD1-CD1 4.29Å; L230-V411 HydrophobicContact CD1-CB 4.23Å; L230-V411 HydrophobicContact CD1-CG2 3.64Å; L230-I415 HydrophobicContact CD2-CD1 4.08Å; L230-T425 HydrophobicContact CD2-CG2 3.83Å; L230-L428 HydrophobicContact CD1-CB 4.25Å; L230-L428 HydrophobicContact CD2-CB 4.19Å; L230-R429 HydrophobicContact CD2-CB 4.07Å
231C96.4Very high93.5Very high0 Ų041.4 Ų41.40%021%0.209CC..EExtended strand (participates in β ladder)trans-102.5127.9166.5174.20000109.4V252 V408 A409 I410 V411C231-V252 VanDerWaalsContact CA-O 3.24Å; C231-V252 WeakPolarHBondContact CA-O 3.46Å; C231-V252 HydrophobicContact CB-CB 3.86Å; C231-V252 HydrophobicContact CB-CG1 4.44Å; C231-V408 HydrophobicContact CB-CG1 3.67Å; C231-A409 PolarHBondContact N-O 2.91Å; C231-I410 HydrophobicContact CB-CB 4.32Å; C231-I410 HydrophobicContact CB-CG1 3.84Å; C231-I410 WeakPolarHBondContact O-CA 3.47Å; C231-V411 PolarHBondContact O-N 2.91Å
232I96.6Very high94.2Very high2 Ų238 Ų381%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-88.5130.9170.8-173.3169.5000109.6C234 V250 V252 A253 K254 I415 M421I232-C234 VanDerWaalsContact CG2-SG 3.58Å; I232-V250 HydrophobicContact CB-CG1 3.91Å; I232-V250 HydrophobicContact CG2-CB 4.25Å; I232-V250 HydrophobicContact CG2-CG1 3.88Å; I232-V250 HydrophobicContact CG2-CG2 3.97Å; I232-V252 PolarHBondContact N-O 2.78Å; I232-A253 HydrophobicContact CG2-CB 4.23Å; I232-K254 PolarHBondContact O-N 2.97Å; I232-I415 HydrophobicContact CD1-CG2 3.9Å; I232-I415 HydrophobicContact CG1-CD1 4.48Å; I232-M421 HydrophobicContact CD1-CE 4.11Å
233A95.3Very high94.7Very high4 Ų440 Ų403%0.03320%0.203CC..EExtended strand (participates in β ladder)trans-88.899.3166.400000109D235 K254 I410 V411 T416A233-D235 VanDerWaalsContact C-N 3.32Å; A233-D235 PolarHBondContact O-N 3.26Å; A233-D235 VanDerWaalsContact O-N 3.17Å; A233-K254 HydrophobicContact CB-CD 4.36Å; A233-I410 HydrophobicContact CB-CG2 4.05Å; A233-V411 PolarHBondContact N-O 3.45Å; A233-T416 WeakPolarHBondContact O-CG2 3.28Å
234C94.5Very high94.9Very high2 Ų247.5 Ų47.51%0.01424%0.238CC..  trans-87.769.5-178.4-71.80000110.8I232 F236 I246 K254I232-C234 VanDerWaalsContact CG2-SG 3.58Å; C234-F236 HydrophobicContact CB-CD2 4.22Å; C234-F236 HydrophobicContact CB-CE2 4.46Å; C234-F236 PolarHBondContact O-N 3.38Å; C234-I246 WeakPolarHBondContact SG-CG1 3.37Å; C234-K254 PolarHBondContact N-O 3.41Å
235D94.8Very high95.2Very high71 Ų7147.5 Ų47.538%0.3824%0.237SC..  trans-83.651.3179.4-55.4-40000111.2A233 K254 H256 I259A233-D235 VanDerWaalsContact C-N 3.32Å; A233-D235 PolarHBondContact O-N 3.26Å; A233-D235 VanDerWaalsContact O-N 3.17Å; D235-K254 IonicContact OD1-NZ 2.57Å; D235-K254 PolarHBondContact OD1-NZ 3.34Å; D235-H256 IonicContact OD1-CE1 3.83Å; D235-H256 PolarHBondContact OD1-CE1 3.25Å; D235-H256 IonicContact OD1-CG 3.16Å; D235-H256 IonicContact OD1-ND1 2.68Å; D235-H256 PolarHBondContact OD1-ND1 3.08Å; D235-I259 HydrophobicContact CB-CD1 4.04Å
236F96.3Very high95.5Very high18 Ų1843.7 Ų43.78%0.07921%0.211CC..  trans-93.6155.2174.9-59.4-65.7000111.1C234 E241 I242 K245 T416 M421C234-F236 HydrophobicContact CB-CD2 4.22Å; C234-F236 HydrophobicContact CB-CE2 4.46Å; C234-F236 PolarHBondContact O-N 3.38Å; F236-E241 HydrophobicContact CB-CB 4.01Å; F236-E241 WeakPolarHBondContact CD1-OE2 3.44Å; F236-E241 HydrophobicContact CG-CB 4.21Å; F236-I242 HydrophobicContact CB-CG1 3.85Å; F236-I242 HydrophobicContact CD2-CG1 4.32Å; F236-K245 HydrophobicContact CD1-CD 4.1Å; F236-K245 HydrophobicContact CD2-CD 3.97Å; F236-K245 HydrophobicContact CE1-CD 3.6Å; F236-K245 HydrophobicContact CE2-CB 3.87Å; F236-K245 HydrophobicContact CE2-CD 3.44Å; F236-K245 VanDerWaalsContact CE2-CD 3.44Å; F236-K245 HydrophobicContact CE2-CG 4.29Å; F236-K245 HydrophobicContact CG-CD 4.29Å; F236-K245 HydrophobicContact CZ-CB 4.34Å; F236-K245 HydrophobicContact CZ-CD 3.25Å; F236-K245 HydrophobicContact CZ-CG 4.4Å; F236-T416 HydrophobicContact CE1-CG2 4.29Å; F236-T416 HydrophobicContact CE2-CG2 4.07Å; F236-T416 HydrophobicContact CZ-CG2 3.59Å; F236-M421 HydrophobicContact CE2-CE 4.1Å; F236-M421 HydrophobicContact CZ-CE 3.7Å; F236-M421 HydrophobicContact CZ-SD 4Å
237Q96.9Very high95.4Very high115 Ų11543.2 Ų43.254%0.53722%0.216SC..SBendtrans-94-11.8-171.6-64.2177.4-65.400114.5V260 E261Q237-V260 CarbonylContact O-C 3.59Å; Q237-V260 WeakPolarHBondContact O-CA 3.33Å; Q237-E261 HydrophobicContact CB-CG 4.44Å; Q237-E261 PolarHBondContact O-N 3.02Å
238T98Very high95.4Very high45 Ų4540.7 Ų40.728%0.27621%0.214SC..SBendtrans-126.2147.3-178.770.20000111.7D240 E241 I242 D262T238-D240 VanDerWaalsContact C-N 3.29Å; T238-D240 PolarHBondContact O-N 3.21Å; T238-E241 PolarHBondContact O-N 3.15Å; T238-E241 WeakPolarHBondContact OG1-CG 3.46Å; T238-E241 PolarHBondContact OG1-N 3.46Å; T238-I242 WeakPolarHBondContact O-CG1 3.37Å; T238-I242 PolarHBondContact O-N 2.88Å; T238-D262 WeakPolarHBondContact CA-OD1 3.38Å
239K96.9Very high95.5Very high45 Ų4542.1 Ų42.120%0.19622%0.221CC..Hα-helixtrans-61.3-36.7179.368.6-168.9162.6-149.20113.5I242 L243 D262 D264 F267K239-I242 PolarHBondContact O-N 3.04Å; K239-L243 WeakPolarHBondContact O-CG 3.45Å; K239-L243 PolarHBondContact O-N 3.48Å; K239-D262 WeakPolarHBondContact CE-OD2 3.06Å; K239-D262 VanDerWaalsContact CG-OD2 3.3Å; K239-D262 WeakPolarHBondContact CG-OD2 3.49Å; K239-D262 PolarHBondContact N-OD1 3.37Å; K239-D262 PolarHBondContact NZ-O 3.31Å; K239-D262 VanDerWaalsContact NZ-O 3.14Å; K239-D262 IonicContact NZ-OD2 2.76Å; K239-D264 IonicContact NZ-OD2 3.24Å; K239-D264 PolarHBondContact NZ-OD2 3.43Å; K239-F267 HydrophobicContact CB-CB 4.03Å; K239-F267 HydrophobicContact CB-CD1 4.3Å; K239-F267 HydrophobicContact CB-CD2 3.41Å; K239-F267 VanDerWaalsContact CB-CD2 3.41Å; K239-F267 HydrophobicContact CB-CE2 3.84Å; K239-F267 HydrophobicContact CB-CG 3.64Å; K239-F267 HydrophobicContact CB-CZ 4.46Å; K239-F267 HydrophobicContact CD-CB 3.91Å; K239-F267 HydrophobicContact CD-CG 4.45Å
240D96.8Very high95.6Very high111 Ų11142.2 Ų42.259%0.59422%0.222SC*.Hα-helixtrans-65.8-42.1-178.6-74.6-15.2000111.1T238 I242 L243 Q244T238-D240 VanDerWaalsContact C-N 3.29Å; T238-D240 PolarHBondContact O-N 3.21Å; D240-I242 VanDerWaalsContact C-N 3.34Å; D240-I242 PolarHBondContact O-N 2.67Å; D240-L243 PolarHBondContact O-N 3.33Å; D240-Q244 VanDerWaalsContact O-CB 3.29Å; D240-Q244 WeakPolarHBondContact O-CB 2.88Å; D240-Q244 PolarHBondContact O-N 2.98Å
241E95.8Very high95.6Very high75 Ų7542.2 Ų42.235%0.3522%0.222SC..Hα-helixtrans-61.6-43.5174.9-78.4-162.5-176.500111.9F236 T238 Q244 K245F236-E241 HydrophobicContact CB-CB 4.01Å; F236-E241 WeakPolarHBondContact CD1-OE2 3.44Å; F236-E241 HydrophobicContact CG-CB 4.21Å; T238-E241 PolarHBondContact O-N 3.15Å; T238-E241 WeakPolarHBondContact OG1-CG 3.46Å; T238-E241 PolarHBondContact OG1-N 3.46Å; E241-Q244 PolarHBondContact O-N 3.17Å; E241-K245 HydrophobicContact CB-CD 4.37Å; E241-K245 VanDerWaalsContact CD-NZ 3.35Å; E241-K245 WeakPolarHBondContact O-CB 3.29Å; E241-K245 WeakPolarHBondContact O-CG 2.94Å; E241-K245 PolarHBondContact O-N 3.16Å; E241-K245 IonicContact OE1-NZ 2.79Å; E241-K245 IonicContact OE2-NZ 3.66Å; E241-K245 PolarHBondContact OE2-NZ 3.36Å
242I97.1Very high95.6Very high0 Ų042.2 Ų42.20%022%0.222CC..Hα-helixtrans-61.9-50.3179.9-65.7167.6000110.6F236 T238 K239 D240 Q244 K245 I246 L255 V260 F267 L271F236-I242 HydrophobicContact CB-CG1 3.85Å; F236-I242 HydrophobicContact CD2-CG1 4.32Å; T238-I242 WeakPolarHBondContact O-CG1 3.37Å; T238-I242 PolarHBondContact O-N 2.88Å; K239-I242 PolarHBondContact O-N 3.04Å; D240-I242 VanDerWaalsContact C-N 3.34Å; D240-I242 PolarHBondContact O-N 2.67Å; I242-Q244 VanDerWaalsContact C-N 3.33Å; I242-Q244 PolarHBondContact O-N 3.1Å; I242-K245 PolarHBondContact O-N 2.85Å; I242-I246 HydrophobicContact CG2-CD1 3.59Å; I242-I246 HydrophobicContact CG2-CG1 4.46Å; I242-I246 WeakPolarHBondContact O-CG1 3.42Å; I242-I246 PolarHBondContact O-N 3.08Å; I242-L255 HydrophobicContact CD1-CD2 4.19Å; I242-L255 HydrophobicContact CG2-CD2 3.84Å; I242-V260 HydrophobicContact CD1-CG1 4.26Å; I242-V260 HydrophobicContact CD1-CG2 3.52Å; I242-F267 HydrophobicContact CB-CE2 4.2Å; I242-F267 HydrophobicContact CB-CZ 4.27Å; I242-F267 HydrophobicContact CD1-CE2 4.49Å; I242-F267 HydrophobicContact CD1-CZ 3.83Å; I242-F267 HydrophobicContact CG2-CE2 4.06Å; I242-F267 HydrophobicContact CG2-CZ 4Å; I242-L271 HydrophobicContact CG2-CD1 4.37Å
243L96.1Very high95.7Very high41 Ų4142.1 Ų42.122%0.21522%0.222CC..Hα-helixtrans-65-36.4-177.6-68.9174.7000112.3K239 D240 F267 D270 L271 L274K239-L243 WeakPolarHBondContact O-CG 3.45Å; K239-L243 PolarHBondContact O-N 3.48Å; D240-L243 PolarHBondContact O-N 3.33Å; L243-F267 HydrophobicContact CD1-CD2 4.18Å; L243-F267 HydrophobicContact CD2-CD2 4.34Å; L243-F267 HydrophobicContact CD2-CE2 4.21Å; L243-F267 HydrophobicContact CG-CD2 4.14Å; L243-F267 HydrophobicContact CG-CE2 4.07Å; L243-D270 HydrophobicContact CD1-CB 4.14Å; L243-D270 HydrophobicContact CD2-CB 4.36Å; L243-L271 HydrophobicContact CD2-CB 4.23Å; L243-L271 HydrophobicContact CD2-CD1 4.38Å; L243-L274 HydrophobicContact CD2-CD2 4Å
244Q94.8Very high95.8Very high160 Ų16042.3 Ų42.375%0.74822%0.222SC*.Hα-helixtrans-73.8-38.9178.9-169.8-18012.100112.4D240 E241 I242D240-Q244 VanDerWaalsContact O-CB 3.29Å; D240-Q244 WeakPolarHBondContact O-CB 2.88Å; D240-Q244 PolarHBondContact O-N 2.98Å; E241-Q244 PolarHBondContact O-N 3.17Å; I242-Q244 VanDerWaalsContact C-N 3.33Å; I242-Q244 PolarHBondContact O-N 3.1Å
245K93.9Very high95.8Very high68 Ų6842.3 Ų42.330%0.29622%0.221SC..Hα-helixtrans-87.8-21.7-169.7-66.4175.5-179.6175.40114.2F236 E241 I242 G247 M421F236-K245 HydrophobicContact CD1-CD 4.1Å; F236-K245 HydrophobicContact CD2-CD 3.97Å; F236-K245 HydrophobicContact CE1-CD 3.6Å; F236-K245 HydrophobicContact CE2-CB 3.87Å; F236-K245 HydrophobicContact CE2-CD 3.44Å; F236-K245 VanDerWaalsContact CE2-CD 3.44Å; F236-K245 HydrophobicContact CE2-CG 4.29Å; F236-K245 HydrophobicContact CG-CD 4.29Å; F236-K245 HydrophobicContact CZ-CB 4.34Å; F236-K245 HydrophobicContact CZ-CD 3.25Å; F236-K245 HydrophobicContact CZ-CG 4.4Å; E241-K245 HydrophobicContact CB-CD 4.37Å; E241-K245 VanDerWaalsContact CD-NZ 3.35Å; E241-K245 WeakPolarHBondContact O-CB 3.29Å; E241-K245 WeakPolarHBondContact O-CG 2.94Å; E241-K245 PolarHBondContact O-N 3.16Å; E241-K245 IonicContact OE1-NZ 2.79Å; E241-K245 IonicContact OE2-NZ 3.66Å; E241-K245 PolarHBondContact OE2-NZ 3.36Å; I242-K245 PolarHBondContact O-N 2.85Å; K245-G247 PolarHBondContact O-N 3.48Å; K245-M421 HydrophobicContact CB-CE 3.97Å; K245-M421 HydrophobicContact CB-SD 4.12Å; K245-M421 HydrophobicContact CD-CE 4.31Å; K245-M421 HydrophobicContact CD-SD 3.69Å; K245-M421 HydrophobicContact CG-CE 4.43Å; K245-M421 HydrophobicContact CG-SD 3.92Å
246I93.1Very high95.9Very high0 Ų040.9 Ų40.90%021%0.213CC..  trans-73.2115.6175.6-65.2166.4000110.7C234 I242 V250 A253 L271 L274 K278 F280C234-I246 WeakPolarHBondContact SG-CG1 3.37Å; I242-I246 HydrophobicContact CG2-CD1 3.59Å; I242-I246 HydrophobicContact CG2-CG1 4.46Å; I242-I246 WeakPolarHBondContact O-CG1 3.42Å; I242-I246 PolarHBondContact O-N 3.08Å; I246-V250 HydrophobicContact CG2-CG2 4.48Å; I246-A253 HydrophobicContact CD1-CB 3.77Å; I246-A253 HydrophobicContact CG1-CB 4.31Å; I246-A253 HydrophobicContact CG2-CB 4.23Å; I246-L271 HydrophobicContact CD1-CD1 3.8Å; I246-L274 HydrophobicContact CB-CD2 4.15Å; I246-L274 HydrophobicContact CG2-CD2 4.48Å; I246-K278 PolarHBondContact O-NZ 3.42Å; I246-F280 HydrophobicContact CG2-CD1 4.13Å; I246-F280 HydrophobicContact CG2-CE1 3.43Å; I246-F280 VanDerWaalsContact CG2-CE1 3.43Å; I246-F280 HydrophobicContact CG2-CE2 4.21Å; I246-F280 HydrophobicContact CG2-CZ 3.49Å; I246-F280 VanDerWaalsContact CG2-CZ 3.49Å
247G90.6Very high95.9Very high26 Ų2640.1 Ų40.127%0.26821%0.209SC..  trans-99.5176.7179.900000115K245 L249K245-G247 PolarHBondContact O-N 3.48Å; G247-L249 PolarHBondContact O-N 3.27Å
248S93.8Very high96Very high72 Ų7237.9 Ų37.950%0.50320%0.201SC..THydrogen-bonded Turntrans-78.92.6177.156.90000114K226K226-S248 WeakPolarHBondContact CE-O 3.36Å; K226-S248 PolarHBondContact NZ-O 3.13Å
249L96.9Very high95.9Very high29 Ų2939 Ų3915%0.15220%0.204CC..THydrogen-bonded Turntrans-87.4-8.1-174.2-65.5-177.2000114.3S228 G247 L422 T425 Q426 R429S228-L249 WeakPolarHBondContact CB-O 3.47Å; S228-L249 PolarHBondContact OG-O 3.23Å; G247-L249 PolarHBondContact O-N 3.27Å; L249-L422 HydrophobicContact CD1-CD1 3.76Å; L249-T425 HydrophobicContact CB-CG2 3.69Å; L249-T425 HydrophobicContact CD1-CG2 4.06Å; L249-Q426 HydrophobicContact CD1-CB 3.87Å; L249-Q426 VanDerWaalsContact CD2-OE1 3.23Å; L249-R429 WeakPolarHBondContact O-CD 3.42Å
250V97.2Very high96Very high2 Ų237.1 Ų37.11%0.01220%0.197CC..  trans-107.9151.5-174.6-62.20000111.6K226 L230 I232 I246 F280 T425K226-V250 WeakPolarHBondContact CE-O 3.41Å; K226-V250 PolarHBondContact NZ-O 3.42Å; L230-V250 HydrophobicContact CD2-CG1 4.25Å; L230-V250 HydrophobicContact CG-CG1 4.39Å; L230-V250 CarbonylContact O-C 3.53Å; L230-V250 VanDerWaalsContact O-CA 3.3Å; L230-V250 WeakPolarHBondContact O-CA 3.47Å; L230-V250 WeakPolarHBondContact O-CB 3.2Å; I232-V250 HydrophobicContact CB-CG1 3.91Å; I232-V250 HydrophobicContact CG2-CB 4.25Å; I232-V250 HydrophobicContact CG2-CG1 3.88Å; I232-V250 HydrophobicContact CG2-CG2 3.97Å; I246-V250 HydrophobicContact CG2-CG2 4.48Å; V250-F280 HydrophobicContact CG2-CB 4.48Å; V250-T425 HydrophobicContact CG1-CG2 4.08Å
251C96.2Very high96Very high0 Ų039 Ų390%020%0.202CC..SBendtrans-89.1-25.1171.660.40000112.8L219 I222 I223 S228 L230 F280 L281L219-C251 HydrophobicContact CD1-CB 3.98Å; I222-C251 HydrophobicContact CG2-CB 3.74Å; I223-C251 HydrophobicContact CG1-CB 3.8Å; S228-C251 VanDerWaalsContact O-CB 3.28Å; S228-C251 WeakPolarHBondContact O-CB 3.4Å; L230-C251 PolarHBondContact O-N 3.07Å; L230-C251 PolarHBondContact O-SG 3.28Å; C251-F280 WeakPolarHBondContact O-CA 3.26Å; C251-F280 WeakPolarHBondContact O-CB 3.36Å; C251-L281 PolarHBondContact O-N 2.72Å
252V96.9Very high96.1Very high0 Ų038.1 Ų38.10%020%0.2CC..EExtended strand (participates in β ladder)trans-138.2139.2178.9-178.50000109.9L219 C231 I232 L281 L283 M312L219-V252 HydrophobicContact CD1-CG2 3.43Å; L219-V252 VanDerWaalsContact CD1-CG2 3.43Å; L219-V252 HydrophobicContact CD2-CG2 4.14Å; L219-V252 HydrophobicContact CG-CG2 4.47Å; C231-V252 VanDerWaalsContact CA-O 3.24Å; C231-V252 WeakPolarHBondContact CA-O 3.46Å; C231-V252 HydrophobicContact CB-CB 3.86Å; C231-V252 HydrophobicContact CB-CG1 4.44Å; I232-V252 PolarHBondContact N-O 2.78Å; V252-L281 CarbonylContact C-O 3.58Å; V252-L281 WeakPolarHBondContact CA-O 3.34Å; V252-L281 WeakPolarHBondContact CG1-O 3.29Å; V252-L281 HydrophobicContact CG2-CB 4.43Å; V252-L283 HydrophobicContact CG1-CB 3.7Å; V252-M312 HydrophobicContact CB-CE 4.5Å; V252-M312 HydrophobicContact CG1-CE 3.78Å; V252-M312 HydrophobicContact CG2-CE 3.81Å
253A97.4Very high96.1Very high0 Ų039.8 Ų39.80%021%0.207CC..EExtended strand (participates in β ladder)trans-105.4118163.100000108.7I232 I246 L255 F280 L281 I282 L283I232-A253 HydrophobicContact CG2-CB 4.23Å; I246-A253 HydrophobicContact CD1-CB 3.77Å; I246-A253 HydrophobicContact CG1-CB 4.31Å; I246-A253 HydrophobicContact CG2-CB 4.23Å; A253-L255 HydrophobicContact CB-CD1 4.39Å; A253-F280 HydrophobicContact CB-CD2 3.82Å; A253-F280 HydrophobicContact CB-CE2 3.61Å; A253-F280 HydrophobicContact CB-CZ 4.37Å; A253-L281 PolarHBondContact N-O 2.92Å; A253-I282 WeakPolarHBondContact O-CA 3.46Å; A253-L283 PolarHBondContact O-N 3.23Å
254K96.9Very high95.8Very high8 Ų840.6 Ų40.64%0.03521%0.212CC..EExtended strand (participates in β ladder)trans-96.4131.8175.7-175.4-159.182.468.60109.5I232 A233 C234 D235 H256 L283 D285 I410I232-K254 PolarHBondContact O-N 2.97Å; A233-K254 HydrophobicContact CB-CD 4.36Å; C234-K254 PolarHBondContact N-O 3.41Å; D235-K254 IonicContact OD1-NZ 2.57Å; D235-K254 PolarHBondContact OD1-NZ 3.34Å; K254-H256 PolarHBondContact NZ-CE1 3.05Å; K254-H256 PolarHBondContact NZ-ND1 3.42Å; K254-L283 CarbonylContact C-O 3.58Å; K254-L283 VanDerWaalsContact CA-O 3.26Å; K254-L283 WeakPolarHBondContact CA-O 3.33Å; K254-L283 HydrophobicContact CB-CB 4.26Å; K254-L283 HydrophobicContact CB-CD2 4.19Å; K254-L283 HydrophobicContact CB-CG 4.4Å; K254-L283 HydrophobicContact CD-CD2 4.36Å; K254-L283 HydrophobicContact CG-CB 4.32Å; K254-L283 HydrophobicContact CG-CD2 3.83Å; K254-L283 HydrophobicContact CG-CG 3.96Å; K254-D285 HydrophobicContact CD-CB 3.68Å; K254-D285 WeakPolarHBondContact CD-OD2 3.49Å; K254-D285 HydrophobicContact CG-CB 3.59Å; K254-D285 IonicContact NZ-OD2 2.72Å; K254-D285 PolarHBondContact NZ-OD2 3.06Å; K254-I410 HydrophobicContact CD-CG2 3.93Å
255L96.4Very high95.4Very high2 Ų236.7 Ų36.71%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-124.1163.8178.8-62.392.4000110.7I242 A253 F267 L271 I282 L283 D285I242-L255 HydrophobicContact CD1-CD2 4.19Å; I242-L255 HydrophobicContact CG2-CD2 3.84Å; A253-L255 HydrophobicContact CB-CD1 4.39Å; L255-F267 HydrophobicContact CD2-CZ 4.05Å; L255-L271 HydrophobicContact CD1-CD2 3.91Å; L255-L271 HydrophobicContact CD2-CD2 3.6Å; L255-L271 HydrophobicContact CG-CD2 4.46Å; L255-I282 HydrophobicContact CD1-CG2 3.72Å; L255-L283 PolarHBondContact N-O 3.07Å; L255-D285 WeakPolarHBondContact O-CB 3.43Å; L255-D285 PolarHBondContact O-N 3.25Å
256H97Very high95Very high42 Ų4240.6 Ų40.619%0.19421%0.213CC..  trans-118.299.1157.5-69.1107.7000105.8D235 K254 D258 I259 D285D235-H256 IonicContact OD1-CE1 3.83Å; D235-H256 PolarHBondContact OD1-CE1 3.25Å; D235-H256 IonicContact OD1-CG 3.16Å; D235-H256 IonicContact OD1-ND1 2.68Å; D235-H256 PolarHBondContact OD1-ND1 3.08Å; K254-H256 PolarHBondContact NZ-CE1 3.05Å; K254-H256 PolarHBondContact NZ-ND1 3.42Å; H256-D258 PolarHBondContact O-N 2.87Å; H256-D258 VanDerWaalsContact O-N 3.14Å; H256-I259 HydrophobicContact CB-CD1 4.01Å; H256-I259 HydrophobicContact CB-CG1 3.88Å; H256-I259 HydrophobicContact CB-CG2 4.27Å; H256-I259 WeakPolarHBondContact O-CG1 3.42Å; H256-I259 PolarHBondContact O-N 3.27Å; H256-D285 PolarHBondContact CD2-O 3.4Å; H256-D285 IonicContact CE1-OD2 3.39Å; H256-D285 PolarHBondContact NE2-O 3.2Å; H256-D285 IonicContact NE2-OD2 3.16Å; H256-D285 PolarHBondContact NE2-OD2 3.22Å
257A96.3Very high95Very high1 Ų140.8 Ų40.81%0.00821%0.213CC..G310 helixtrans-60.8-25.4-176.400000112.7I259 V260 F263 E284 Y304 W309A257-I259 VanDerWaalsContact C-N 3.32Å; A257-I259 PolarHBondContact O-N 3.41Å; A257-V260 PolarHBondContact O-N 3.34Å; A257-F263 HydrophobicContact CB-CD2 4.06Å; A257-F263 HydrophobicContact CB-CE2 3.8Å; A257-E284 WeakPolarHBondContact CB-OE2 3.07Å; A257-E284 PolarHBondContact N-OE1 2.79Å; A257-E284 PolarHBondContact N-OE2 3.24Å; A257-Y304 HydrophobicContact CB-CD1 3.86Å; A257-Y304 HydrophobicContact CB-CE1 4.49Å; A257-Y304 HydrophobicContact CB-CG 4.04Å; A257-Y304 WeakPolarHBondContact O-CE1 3.3Å; A257-W309 HydrophobicContact CB-CH2 4.06Å; A257-W309 HydrophobicContact CB-CZ2 3.84Å
258D97Very high94.7Very high69 Ų6939.6 Ų39.637%0.36920%0.201SC..G310 helixtrans-80.1-4.3-177.260.6-16.4000115.6H256 R286 Y304H256-D258 PolarHBondContact O-N 2.87Å; H256-D258 VanDerWaalsContact O-N 3.14Å; D258-R286 IonicContact OD2-NE 2.72Å; D258-Y304 WeakPolarHBondContact CA-OH 3.37Å; D258-Y304 HydrophobicContact CB-CE2 3.84Å
259I97.5Very high93.9Very high67 Ų6738.1 Ų38.134%0.34419%0.194SC..G310 helixtrans-104.1-1.4169.772.6174.1000113D235 H256 A257 E261D235-I259 HydrophobicContact CB-CD1 4.04Å; H256-I259 HydrophobicContact CB-CD1 4.01Å; H256-I259 HydrophobicContact CB-CG1 3.88Å; H256-I259 HydrophobicContact CB-CG2 4.27Å; H256-I259 WeakPolarHBondContact O-CG1 3.42Å; H256-I259 PolarHBondContact O-N 3.27Å; A257-I259 VanDerWaalsContact C-N 3.32Å; A257-I259 PolarHBondContact O-N 3.41Å; I259-E261 PolarHBondContact O-N 3.38Å
260V97.8Very high93.3Very high7 Ų738.9 Ų38.94%0.04220%0.198CC..  trans-86.3105.7178.3-174.10000108.8Q237 I242 A257 D262 F263 F267Q237-V260 CarbonylContact O-C 3.59Å; Q237-V260 WeakPolarHBondContact O-CA 3.33Å; I242-V260 HydrophobicContact CD1-CG1 4.26Å; I242-V260 HydrophobicContact CD1-CG2 3.52Å; A257-V260 PolarHBondContact O-N 3.34Å; V260-D262 VanDerWaalsContact C-N 3.27Å; V260-D262 PolarHBondContact O-N 2.82Å; V260-F263 HydrophobicContact CB-CB 4.16Å; V260-F263 HydrophobicContact CB-CD2 4.45Å; V260-F263 HydrophobicContact CG1-CB 4.24Å; V260-F263 WeakPolarHBondContact O-CB 3.31Å; V260-F263 PolarHBondContact O-N 3.22Å; V260-F267 HydrophobicContact CG1-CE1 4.42Å
261E97.5Very high93Very high150 Ų15038.9 Ų38.970%0.70120%0.197SC*.THydrogen-bonded Turntrans-61.8-34.4-170.2-64179.9177.700112.9Q237 I259Q237-E261 HydrophobicContact CB-CG 4.44Å; Q237-E261 PolarHBondContact O-N 3.02Å; I259-E261 PolarHBondContact O-N 3.38Å
262D97.2Very high92.5Very high57 Ų5742.4 Ų42.431%0.30521%0.213SC..THydrogen-bonded Turntrans-111.130.3-176.370.1-25.4000113.1T238 K239 V260 D264T238-D262 WeakPolarHBondContact CA-OD1 3.38Å; K239-D262 WeakPolarHBondContact CE-OD2 3.06Å; K239-D262 VanDerWaalsContact CG-OD2 3.3Å; K239-D262 WeakPolarHBondContact CG-OD2 3.49Å; K239-D262 PolarHBondContact N-OD1 3.37Å; K239-D262 PolarHBondContact NZ-O 3.31Å; K239-D262 VanDerWaalsContact NZ-O 3.14Å; K239-D262 IonicContact NZ-OD2 2.76Å; V260-D262 VanDerWaalsContact C-N 3.27Å; V260-D262 PolarHBondContact O-N 2.82Å; D262-D264 PolarHBondContact O-N 3.41Å
263F96.9Very high91.9Very high35 Ų3550.1 Ų50.115%0.15424%0.242CC..  trans-58.3128.9177.4-173.1-79.6000111.7A257 V260 F267 A268 Y304 W309A257-F263 HydrophobicContact CB-CD2 4.06Å; A257-F263 HydrophobicContact CB-CE2 3.8Å; V260-F263 HydrophobicContact CB-CB 4.16Å; V260-F263 HydrophobicContact CB-CD2 4.45Å; V260-F263 HydrophobicContact CG1-CB 4.24Å; V260-F263 WeakPolarHBondContact O-CB 3.31Å; V260-F263 PolarHBondContact O-N 3.22Å; F263-F267 AromaticContact CD2-CD1 3.62Å; F263-F267 HydrophobicContact CD2-CD1 3.62Å; F263-F267 AromaticContact CD2-CE1 3.73Å; F263-F267 HydrophobicContact CD2-CE1 3.73Å; F263-F267 AromaticContact CE2-CD1 3.79Å; F263-F267 HydrophobicContact CE2-CD1 3.79Å; F263-F267 AromaticContact CE2-CE1 3.85Å; F263-F267 HydrophobicContact CE2-CE1 3.85Å; F263-F267 HydrophobicContact CG-CD1 4.35Å; F263-A268 HydrophobicContact CZ-CB 4.22Å; F263-Y304 HydrophobicContact CB-CD1 4.49Å; F263-Y304 HydrophobicContact CB-CE1 4.32Å; F263-Y304 AromaticContact CD1-CD1 3.66Å; F263-Y304 HydrophobicContact CD1-CD1 3.66Å; F263-Y304 HydrophobicContact CD1-CE1 4.23Å; F263-Y304 HydrophobicContact CD2-CD1 4.11Å; F263-Y304 AromaticContact CE1-CD1 3.86Å; F263-Y304 HydrophobicContact CE1-CD1 3.86Å; F263-Y304 HydrophobicContact CE2-CD1 4.27Å; F263-Y304 AromaticContact CG-CD1 3.81Å; F263-Y304 HydrophobicContact CG-CD1 3.81Å; F263-Y304 HydrophobicContact CG-CE1 4.14Å; F263-Y304 HydrophobicContact CZ-CD1 4.16Å; F263-W309 HydrophobicContact CE2-CZ2 4.25Å; F263-W309 HydrophobicContact CZ-CZ2 4.33Å; F263-W309 AromaticContact CZ-NE1 3.92Å
264D91.6Very high91.6Very high57 Ų5751.4 Ų51.431%0.30525%0.249SC..  trans-143.3167.4168.362.545.3000110.4K239 D262 K266 F267 A268K239-D264 IonicContact NZ-OD2 3.24Å; K239-D264 PolarHBondContact NZ-OD2 3.43Å; D262-D264 PolarHBondContact O-N 3.41Å; D264-K266 PolarHBondContact O-N 3.14Å; D264-K266 WeakPolarHBondContact OD1-CA 3.49Å; D264-K266 VanDerWaalsContact OD1-CB 3.26Å; D264-K266 WeakPolarHBondContact OD1-CB 3.44Å; D264-K266 PolarHBondContact OD1-N 2.68Å; D264-F267 WeakPolarHBondContact O-CB 3.17Å; D264-F267 PolarHBondContact O-N 3.22Å; D264-F267 PolarHBondContact OD1-N 2.88Å; D264-A268 PolarHBondContact O-N 3.13Å
265L84.8Confident91.3Very high79 Ų7951.3 Ų51.341%0.41425%0.25SC..Hα-helixtrans-70-15.4179.8-68.2177.3000113.1A269 K305L265-A269 PolarHBondContact O-N 3.08Å; L265-A269 VanDerWaalsContact O-N 3.13Å; L265-K305 HydrophobicContact CD1-CD 4.37Å; L265-K305 HydrophobicContact CD2-CB 4.42Å
266K86.7Confident90.6Very high150 Ų15057.7 Ų57.765%0.65228%0.282SS*.Hα-helixtrans-72.7-44.8173.7-178.7-171.3172.5-163.70109.6D264 A268 A269 D270D264-K266 PolarHBondContact O-N 3.14Å; D264-K266 WeakPolarHBondContact OD1-CA 3.49Å; D264-K266 VanDerWaalsContact OD1-CB 3.26Å; D264-K266 WeakPolarHBondContact OD1-CB 3.44Å; D264-K266 PolarHBondContact OD1-N 2.68Å; K266-A268 VanDerWaalsContact C-N 3.31Å; K266-A268 PolarHBondContact O-N 3.39Å; K266-A269 WeakPolarHBondContact O-CB 3.49Å; K266-A269 PolarHBondContact O-N 2.94Å; K266-A269 VanDerWaalsContact O-N 3.1Å; K266-D270 PolarHBondContact O-N 3.29Å
267F93Very high90.3Very high3 Ų362 Ų621%0.01331%0.307CS..Hα-helixtrans-53.8-48.3169.9161.5-119.3000111.3K239 I242 L243 L255 V260 F263 D264 A269 D270 L271K239-F267 HydrophobicContact CB-CB 4.03Å; K239-F267 HydrophobicContact CB-CD1 4.3Å; K239-F267 HydrophobicContact CB-CD2 3.41Å; K239-F267 VanDerWaalsContact CB-CD2 3.41Å; K239-F267 HydrophobicContact CB-CE2 3.84Å; K239-F267 HydrophobicContact CB-CG 3.64Å; K239-F267 HydrophobicContact CB-CZ 4.46Å; K239-F267 HydrophobicContact CD-CB 3.91Å; K239-F267 HydrophobicContact CD-CG 4.45Å; I242-F267 HydrophobicContact CB-CE2 4.2Å; I242-F267 HydrophobicContact CB-CZ 4.27Å; I242-F267 HydrophobicContact CD1-CE2 4.49Å; I242-F267 HydrophobicContact CD1-CZ 3.83Å; I242-F267 HydrophobicContact CG2-CE2 4.06Å; I242-F267 HydrophobicContact CG2-CZ 4Å; L243-F267 HydrophobicContact CD1-CD2 4.18Å; L243-F267 HydrophobicContact CD2-CD2 4.34Å; L243-F267 HydrophobicContact CD2-CE2 4.21Å; L243-F267 HydrophobicContact CG-CD2 4.14Å; L243-F267 HydrophobicContact CG-CE2 4.07Å; L255-F267 HydrophobicContact CD2-CZ 4.05Å; V260-F267 HydrophobicContact CG1-CE1 4.42Å; F263-F267 AromaticContact CD2-CD1 3.62Å; F263-F267 HydrophobicContact CD2-CD1 3.62Å; F263-F267 AromaticContact CD2-CE1 3.73Å; F263-F267 HydrophobicContact CD2-CE1 3.73Å; F263-F267 AromaticContact CE2-CD1 3.79Å; F263-F267 HydrophobicContact CE2-CD1 3.79Å; F263-F267 AromaticContact CE2-CE1 3.85Å; F263-F267 HydrophobicContact CE2-CE1 3.85Å; F263-F267 HydrophobicContact CG-CD1 4.35Å; D264-F267 WeakPolarHBondContact O-CB 3.17Å; D264-F267 PolarHBondContact O-N 3.22Å; D264-F267 PolarHBondContact OD1-N 2.88Å; F267-A269 VanDerWaalsContact C-N 3.27Å; F267-A269 PolarHBondContact O-N 2.75Å; F267-D270 PolarHBondContact O-N 2.95Å; F267-D270 VanDerWaalsContact O-N 3.13Å; F267-L271 HydrophobicContact CE2-CB 4.31Å; F267-L271 HydrophobicContact CZ-CD2 4.19Å; F267-L271 WeakPolarHBondContact O-CB 3.25Å; F267-L271 PolarHBondContact O-N 3.03Å
268A84.4Confident90.2Very high2 Ų264.5 Ų64.52%0.01732%0.318CS..Hα-helixtrans-58-38.9177.400000112.7F263 D264 K266 K272 W309F263-A268 HydrophobicContact CZ-CB 4.22Å; D264-A268 PolarHBondContact O-N 3.13Å; K266-A268 VanDerWaalsContact C-N 3.31Å; K266-A268 PolarHBondContact O-N 3.39Å; A268-K272 WeakPolarHBondContact O-CG 3.29Å; A268-K272 PolarHBondContact O-N 3.3Å; A268-K272 VanDerWaalsContact O-N 3.08Å; A268-W309 HydrophobicContact CB-CB 3.88Å; A268-W309 HydrophobicContact CB-CD2 4.33Å; A268-W309 HydrophobicContact CB-CG 3.7Å
269A76.6Confident89.9Confident41 Ų4163.2 Ų63.234%0.33931%0.311SS..Hα-helixtrans-69.7-40175.300000112.7L265 K266 F267 K272 R273L265-A269 PolarHBondContact O-N 3.08Å; L265-A269 VanDerWaalsContact O-N 3.13Å; K266-A269 WeakPolarHBondContact O-CB 3.49Å; K266-A269 PolarHBondContact O-N 2.94Å; K266-A269 VanDerWaalsContact O-N 3.1Å; F267-A269 VanDerWaalsContact C-N 3.27Å; F267-A269 PolarHBondContact O-N 2.75Å; A269-K272 WeakPolarHBondContact O-CB 3.12Å; A269-K272 PolarHBondContact O-N 3.39Å; A269-R273 WeakPolarHBondContact O-CG 2.99Å; A269-R273 PolarHBondContact O-N 3Å
270D85.2Confident89.8Confident45 Ų4560.3 Ų60.324%0.24130%0.295CS..Hα-helixtrans-67-39.2176.8-70-27.7000111.4L243 K266 F267 K272 R273 L274L243-D270 HydrophobicContact CD1-CB 4.14Å; L243-D270 HydrophobicContact CD2-CB 4.36Å; K266-D270 PolarHBondContact O-N 3.29Å; F267-D270 PolarHBondContact O-N 2.95Å; F267-D270 VanDerWaalsContact O-N 3.13Å; D270-K272 PolarHBondContact O-N 3.07Å; D270-R273 WeakPolarHBondContact O-CB 3.26Å; D270-R273 PolarHBondContact O-N 3.15Å; D270-R273 IonicContact OD1-CZ 2.7Å; D270-R273 IonicContact OD1-NH1 3.56Å; D270-R273 PolarHBondContact OD1-NH1 2.92Å; D270-L274 WeakPolarHBondContact O-CB 3.21Å; D270-L274 PolarHBondContact O-N 3.09Å
271L90.9Very high89.6Confident1 Ų160.4 Ų60.41%0.00530%0.296CS..Hα-helixtrans-62.4-41.4172.6-177.963.2000111.7I242 L243 I246 L255 F267 L274 A275 I282 W309I242-L271 HydrophobicContact CG2-CD1 4.37Å; L243-L271 HydrophobicContact CD2-CB 4.23Å; L243-L271 HydrophobicContact CD2-CD1 4.38Å; I246-L271 HydrophobicContact CD1-CD1 3.8Å; L255-L271 HydrophobicContact CD1-CD2 3.91Å; L255-L271 HydrophobicContact CD2-CD2 3.6Å; L255-L271 HydrophobicContact CG-CD2 4.46Å; F267-L271 HydrophobicContact CE2-CB 4.31Å; F267-L271 HydrophobicContact CZ-CD2 4.19Å; F267-L271 WeakPolarHBondContact O-CB 3.25Å; F267-L271 PolarHBondContact O-N 3.03Å; L271-L274 HydrophobicContact CD1-CD2 4.49Å; L271-L274 WeakPolarHBondContact O-CB 3.2Å; L271-L274 PolarHBondContact O-N 2.78Å; L271-A275 WeakPolarHBondContact O-CB 3.37Å; L271-A275 PolarHBondContact O-N 2.68Å; L271-I282 HydrophobicContact CD2-CD1 4.21Å; L271-I282 HydrophobicContact CD2-CG2 4.14Å; L271-I282 HydrophobicContact CG-CD1 3.85Å; L271-I282 HydrophobicContact CG-CG1 4.34Å; L271-W309 HydrophobicContact CD2-CE3 4.36Å; L271-W309 HydrophobicContact CD2-CZ3 4.32Å
272K84.1Confident89.5Confident75 Ų7553.2 Ų53.233%0.32626%0.262SS..Hα-helixtrans-61.1-42.5172.7-83.3-107.8-104-147.10112.5A268 A269 D270 L274 A275 I276 I282 I308 W309A268-K272 WeakPolarHBondContact O-CG 3.29Å; A268-K272 PolarHBondContact O-N 3.3Å; A268-K272 VanDerWaalsContact O-N 3.08Å; A269-K272 WeakPolarHBondContact O-CB 3.12Å; A269-K272 PolarHBondContact O-N 3.39Å; D270-K272 PolarHBondContact O-N 3.07Å; K272-L274 VanDerWaalsContact C-N 3.33Å; K272-A275 PolarHBondContact O-N 2.84Å; K272-I276 WeakPolarHBondContact O-CG1 2.94Å; K272-I276 PolarHBondContact O-N 2.57Å; K272-I276 VanDerWaalsContact O-N 3.07Å; K272-I282 HydrophobicContact CG-CD1 4.04Å; K272-I308 WeakPolarHBondContact CE-O 3.27Å; K272-I308 PolarHBondContact NZ-O 3.45Å; K272-W309 HydrophobicContact CD-CB 4.46Å; K272-W309 WeakPolarHBondContact CD-O 3.24Å; K272-W309 HydrophobicContact CG-CB 3.95Å
273R84.6Confident89.4Confident162 Ų16250.6 Ų50.661%0.61125%0.248SC*.Hα-helixtrans-62.1-43.7174.7-70.7174.3-173.9137.4-0.6111A269 D270 A275 I276 D277A269-R273 WeakPolarHBondContact O-CG 2.99Å; A269-R273 PolarHBondContact O-N 3Å; D270-R273 WeakPolarHBondContact O-CB 3.26Å; D270-R273 PolarHBondContact O-N 3.15Å; D270-R273 IonicContact OD1-CZ 2.7Å; D270-R273 IonicContact OD1-NH1 3.56Å; D270-R273 PolarHBondContact OD1-NH1 2.92Å; R273-A275 VanDerWaalsContact C-N 3.33Å; R273-A275 PolarHBondContact O-N 3.46Å; R273-I276 PolarHBondContact O-N 2.88Å; R273-D277 WeakPolarHBondContact O-CB 3.3Å; R273-D277 PolarHBondContact O-N 2.82Å
274L92.2Very high89.2Confident26 Ų2649 Ų4914%0.13624%0.241CC..Hα-helixtrans-60.9-41.5176.3-171.166.6000112L243 I246 D270 L271 K272 D277 K278 F280L243-L274 HydrophobicContact CD2-CD2 4Å; I246-L274 HydrophobicContact CB-CD2 4.15Å; I246-L274 HydrophobicContact CG2-CD2 4.48Å; D270-L274 WeakPolarHBondContact O-CB 3.21Å; D270-L274 PolarHBondContact O-N 3.09Å; L271-L274 HydrophobicContact CD1-CD2 4.49Å; L271-L274 WeakPolarHBondContact O-CB 3.2Å; L271-L274 PolarHBondContact O-N 2.78Å; K272-L274 VanDerWaalsContact C-N 3.33Å; L274-D277 PolarHBondContact O-N 3.4Å; L274-K278 HydrophobicContact CD1-CD 3.68Å; L274-K278 HydrophobicContact CD1-CG 4.1Å; L274-K278 HydrophobicContact CG-CD 4.17Å; L274-K278 WeakPolarHBondContact O-CB 3.34Å; L274-K278 PolarHBondContact O-N 3.24Å; L274-F280 HydrophobicContact CB-CZ 4.45Å; L274-F280 HydrophobicContact CD2-CZ 4.36Å; L274-F280 HydrophobicContact CG-CE1 4.15Å; L274-F280 HydrophobicContact CG-CZ 4.14Å
275A89.6Confident89.4Confident7 Ų747.2 Ų47.26%0.05823%0.231CC..Hα-helixtrans-62.8-40.517700000112.6L271 K272 R273 N279 F280 I282L271-A275 WeakPolarHBondContact O-CB 3.37Å; L271-A275 PolarHBondContact O-N 2.68Å; K272-A275 PolarHBondContact O-N 2.84Å; R273-A275 VanDerWaalsContact C-N 3.33Å; R273-A275 PolarHBondContact O-N 3.46Å; A275-N279 CarbonylContact O-C 3.55Å; A275-N279 WeakPolarHBondContact O-CA 3.27Å; A275-N279 PolarHBondContact O-N 3.45Å; A275-F280 HydrophobicContact CB-CD2 3.83Å; A275-F280 HydrophobicContact CB-CE1 4.36Å; A275-F280 HydrophobicContact CB-CE2 3.47Å; A275-F280 VanDerWaalsContact CB-CE2 3.47Å; A275-F280 HydrophobicContact CB-CG 4.41Å; A275-F280 HydrophobicContact CB-CZ 3.76Å; A275-F280 WeakPolarHBondContact CB-O 3.46Å; A275-F280 PolarHBondContact O-N 2.95Å; A275-I282 HydrophobicContact CB-CD1 3.78Å; A275-I282 HydrophobicContact CB-CG1 3.87Å
276I82.6Confident89.8Confident136 Ų13647.6 Ų47.670%0.69723%0.227SC*.Hα-helixtrans-66.6-51.2174.5-66.8165.3000110.5K272 R273 N279K272-I276 WeakPolarHBondContact O-CG1 2.94Å; K272-I276 PolarHBondContact O-N 2.57Å; K272-I276 VanDerWaalsContact O-N 3.07Å; R273-I276 PolarHBondContact O-N 2.88Å; I276-N279 PolarHBondContact O-N 2.81Å
277D90.1Very high90.1Very high131 Ų13143.5 Ų43.570%0.70121%0.209SC*.Hα-helixtrans-60.3-48.5-177.7178.464.5000112.2R273 L274 N279R273-D277 WeakPolarHBondContact O-CB 3.3Å; R273-D277 PolarHBondContact O-N 2.82Å; L274-D277 PolarHBondContact O-N 3.4Å; D277-N279 VanDerWaalsContact C-N 3.33Å
278K93.5Very high90Very high55 Ų5543.5 Ų43.524%0.23921%0.209CC..THydrogen-bonded Turntrans-90.23.5-178.6-62.4-172.1-179.5175.90113.5K226 I246 L274 F280K226-K278 PolarHBondContact NZ-O 2.63Å; I246-K278 PolarHBondContact O-NZ 3.42Å; L274-K278 HydrophobicContact CD1-CD 3.68Å; L274-K278 HydrophobicContact CD1-CG 4.1Å; L274-K278 HydrophobicContact CG-CD 4.17Å; L274-K278 WeakPolarHBondContact O-CB 3.34Å; L274-K278 PolarHBondContact O-N 3.24Å; K278-F280 HydrophobicContact CB-CD1 3.77Å; K278-F280 HydrophobicContact CB-CE1 3.8Å
279N91.7Very high90.4Very high42 Ų4246 Ų4623%0.22523%0.23CC..THydrogen-bonded Turntrans52.565.3177-169.339.1000113.5R218 I222 K226 A275 I276 D277R218-N279 PolarHBondContact NH2-OD1 2.78Å; I222-N279 VanDerWaalsContact CG2-O 3.3Å; I222-N279 WeakPolarHBondContact CG2-O 3.5Å; K226-N279 HydrophobicContact CD-CB 4.39Å; K226-N279 WeakPolarHBondContact CD-O 3.33Å; K226-N279 PolarHBondContact NZ-O 2.02Å; A275-N279 CarbonylContact O-C 3.55Å; A275-N279 WeakPolarHBondContact O-CA 3.27Å; A275-N279 PolarHBondContact O-N 3.45Å; I276-N279 PolarHBondContact O-N 2.81Å; D277-N279 VanDerWaalsContact C-N 3.33Å
280F95.3Very high91.2Very high5 Ų547 Ų472%0.02223%0.23CC..  trans-137.5166172.564.5-101.3000110.7I246 V250 C251 A253 L274 A275 K278 I282I246-F280 HydrophobicContact CG2-CD1 4.13Å; I246-F280 HydrophobicContact CG2-CE1 3.43Å; I246-F280 VanDerWaalsContact CG2-CE1 3.43Å; I246-F280 HydrophobicContact CG2-CE2 4.21Å; I246-F280 HydrophobicContact CG2-CZ 3.49Å; I246-F280 VanDerWaalsContact CG2-CZ 3.49Å; V250-F280 HydrophobicContact CG2-CB 4.48Å; C251-F280 WeakPolarHBondContact O-CA 3.26Å; C251-F280 WeakPolarHBondContact O-CB 3.36Å; A253-F280 HydrophobicContact CB-CD2 3.82Å; A253-F280 HydrophobicContact CB-CE2 3.61Å; A253-F280 HydrophobicContact CB-CZ 4.37Å; L274-F280 HydrophobicContact CB-CZ 4.45Å; L274-F280 HydrophobicContact CD2-CZ 4.36Å; L274-F280 HydrophobicContact CG-CE1 4.15Å; L274-F280 HydrophobicContact CG-CZ 4.14Å; A275-F280 HydrophobicContact CB-CD2 3.83Å; A275-F280 HydrophobicContact CB-CE1 4.36Å; A275-F280 HydrophobicContact CB-CE2 3.47Å; A275-F280 VanDerWaalsContact CB-CE2 3.47Å; A275-F280 HydrophobicContact CB-CG 4.41Å; A275-F280 HydrophobicContact CB-CZ 3.76Å; A275-F280 WeakPolarHBondContact CB-O 3.46Å; A275-F280 PolarHBondContact O-N 2.95Å; K278-F280 HydrophobicContact CB-CD1 3.77Å; K278-F280 HydrophobicContact CB-CE1 3.8Å; F280-I282 HydrophobicContact CD2-CG1 4.48Å; F280-I282 HydrophobicContact CE2-CG1 4.01Å
281L93.5Very high91.4Very high9 Ų948.8 Ų48.85%0.04724%0.242CC..EExtended strand (participates in β ladder)trans-101.4155172.2-60.4-177.1000112.3T215 R218 L219 I222 C251 V252 A253 D311 M312T215-L281 HydrophobicContact CG2-CD1 3.75Å; R218-L281 HydrophobicContact CG-CD2 3.95Å; L219-L281 HydrophobicContact CB-CD1 3.69Å; L219-L281 HydrophobicContact CD1-CD1 4.26Å; L219-L281 HydrophobicContact CG-CD1 4.43Å; I222-L281 HydrophobicContact CD1-CD2 3.87Å; I222-L281 HydrophobicContact CD1-CG 3.75Å; C251-L281 PolarHBondContact O-N 2.72Å; V252-L281 CarbonylContact C-O 3.58Å; V252-L281 WeakPolarHBondContact CA-O 3.34Å; V252-L281 WeakPolarHBondContact CG1-O 3.29Å; V252-L281 HydrophobicContact CG2-CB 4.43Å; A253-L281 PolarHBondContact N-O 2.92Å; L281-D311 WeakPolarHBondContact CA-OD2 3.46Å; L281-D311 HydrophobicContact CB-CB 4.14Å; L281-D311 HydrophobicContact CD2-CB 4.21Å; L281-M312 HydrophobicContact CB-CE 3.88Å; L281-M312 HydrophobicContact CD1-CE 4.13Å
282I94.5Very high91.1Very high0 Ų049.5 Ų49.50%025%0.25CC..EExtended strand (participates in β ladder)trans-103.7124.7-179.8-57.3162.9000110A253 L255 L271 K272 A275 F280 W309 D311 M312A253-I282 WeakPolarHBondContact O-CA 3.46Å; L255-I282 HydrophobicContact CD1-CG2 3.72Å; L271-I282 HydrophobicContact CD2-CD1 4.21Å; L271-I282 HydrophobicContact CD2-CG2 4.14Å; L271-I282 HydrophobicContact CG-CD1 3.85Å; L271-I282 HydrophobicContact CG-CG1 4.34Å; K272-I282 HydrophobicContact CG-CD1 4.04Å; A275-I282 HydrophobicContact CB-CD1 3.78Å; A275-I282 HydrophobicContact CB-CG1 3.87Å; F280-I282 HydrophobicContact CD2-CG1 4.48Å; F280-I282 HydrophobicContact CE2-CG1 4.01Å; I282-W309 HydrophobicContact CG2-CE3 3.66Å; I282-W309 HydrophobicContact CG2-CZ3 3.44Å; I282-W309 VanDerWaalsContact CG2-CZ3 3.44Å; I282-D311 PolarHBondContact N-OD2 2.7Å; I282-D311 PolarHBondContact O-N 3.12Å; I282-M312 PolarHBondContact O-N 3.36Å; I282-M312 VanDerWaalsContact O-N 3.07Å
283L95.1Very high91.1Very high1 Ų150.3 Ų50.31%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-110.3116.9173.7174.361.3000109.8V252 A253 K254 L255 M312 T314 L335 L377V252-L283 HydrophobicContact CG1-CB 3.7Å; A253-L283 PolarHBondContact O-N 3.23Å; K254-L283 CarbonylContact C-O 3.58Å; K254-L283 VanDerWaalsContact CA-O 3.26Å; K254-L283 WeakPolarHBondContact CA-O 3.33Å; K254-L283 HydrophobicContact CB-CB 4.26Å; K254-L283 HydrophobicContact CB-CD2 4.19Å; K254-L283 HydrophobicContact CB-CG 4.4Å; K254-L283 HydrophobicContact CD-CD2 4.36Å; K254-L283 HydrophobicContact CG-CB 4.32Å; K254-L283 HydrophobicContact CG-CD2 3.83Å; K254-L283 HydrophobicContact CG-CG 3.96Å; L255-L283 PolarHBondContact N-O 3.07Å; L283-M312 WeakPolarHBondContact CA-O 3.45Å; L283-M312 HydrophobicContact CB-CB 4.39Å; L283-M312 HydrophobicContact CB-CE 4.27Å; L283-M312 HydrophobicContact CD1-CB 3.6Å; L283-T314 HydrophobicContact CD1-CG2 4.08Å; L283-L335 HydrophobicContact CD1-CD1 4.09Å; L283-L335 HydrophobicContact CD1-CD2 4.19Å; L283-L335 HydrophobicContact CD2-CD2 4.15Å; L283-L377 HydrophobicContact CD2-CD2 4.21Å
284E94.1Very high91.5Very high2 Ų244.9 Ų44.91%0.00924%0.243CC..EExtended strand (participates in β ladder)trans-88.8109.616816952.7-154.600109.4A257 R286 P306 W309 A310 M312 V313 T314A257-E284 WeakPolarHBondContact CB-OE2 3.07Å; A257-E284 PolarHBondContact N-OE1 2.79Å; A257-E284 PolarHBondContact N-OE2 3.24Å; E284-R286 HydrophobicContact CG-CB 3.94Å; E284-R286 PolarHBondContact O-N 3.08Å; E284-R286 WeakPolarHBondContact OE1-CB 3.27Å; E284-P306 HydrophobicContact CB-CB 4.37Å; E284-P306 HydrophobicContact CG-CB 4.14Å; E284-W309 HydrophobicContact CB-CH2 3.7Å; E284-W309 HydrophobicContact CB-CZ2 4.29Å; E284-W309 HydrophobicContact CB-CZ3 4.25Å; E284-W309 HydrophobicContact CG-CH2 4.06Å; E284-W309 HydrophobicContact CG-CZ2 4.31Å; E284-W309 WeakPolarHBondContact OE2-CH2 3.23Å; E284-A310 HydrophobicContact CB-CB 3.95Å; E284-M312 PolarHBondContact N-O 2.93Å; E284-V313 HydrophobicContact CB-CG1 4.08Å; E284-V313 HydrophobicContact CG-CG1 4.4Å; E284-V313 VanDerWaalsContact O-CA 3.28Å; E284-V313 WeakPolarHBondContact O-CA 3.26Å; E284-T314 PolarHBondContact O-N 2.87Å; E284-T314 VanDerWaalsContact O-N 3.17Å
285D94.7Very high91.3Very high19 Ų1943.7 Ų43.710%0.10224%0.237CC..EExtended strand (participates in β ladder)trans-85.652-173.9-170.815.2000112.5K254 L255 H256 K287 T314K254-D285 HydrophobicContact CD-CB 3.68Å; K254-D285 WeakPolarHBondContact CD-OD2 3.49Å; K254-D285 HydrophobicContact CG-CB 3.59Å; K254-D285 IonicContact NZ-OD2 2.72Å; K254-D285 PolarHBondContact NZ-OD2 3.06Å; L255-D285 WeakPolarHBondContact O-CB 3.43Å; L255-D285 PolarHBondContact O-N 3.25Å; H256-D285 PolarHBondContact CD2-O 3.4Å; H256-D285 IonicContact CE1-OD2 3.39Å; H256-D285 PolarHBondContact NE2-O 3.2Å; H256-D285 IonicContact NE2-OD2 3.16Å; H256-D285 PolarHBondContact NE2-OD2 3.22Å; D285-K287 VanDerWaalsContact C-N 3.31Å; D285-K287 PolarHBondContact O-N 2.74Å; D285-K287 WeakPolarHBondContact OD1-CG 3.42Å; D285-K287 IonicContact OD1-NZ 3.28Å; D285-K287 PolarHBondContact OD1-NZ 3.23Å; D285-K287 IonicContact OD2-NZ 3.95Å; D285-K287 PolarHBondContact OD2-NZ 3.23Å; D285-T314 VanDerWaalsContact CA-OG1 3.28Å; D285-T314 WeakPolarHBondContact CA-OG1 3.26Å; D285-T314 VanDerWaalsContact OD1-CG2 3.25Å; D285-T314 WeakPolarHBondContact OD1-CG2 3.05Å; D285-T314 PolarHBondContact OD1-OG1 3.33Å
286R94Very high91.1Very high88 Ų8849 Ų4933%0.33226%0.258SS..EExtended strand (participates in β ladder)trans-74.3-18.7-171.9-170.953.2-173.376.4-6.4114.6D258 E284 F288 T314D258-R286 IonicContact OD2-NE 2.72Å; E284-R286 HydrophobicContact CG-CB 3.94Å; E284-R286 PolarHBondContact O-N 3.08Å; E284-R286 WeakPolarHBondContact OE1-CB 3.27Å; R286-F288 HydrophobicContact CB-CD2 4.13Å; R286-F288 HydrophobicContact CB-CE1 4.29Å; R286-F288 HydrophobicContact CB-CE2 3.68Å; R286-F288 HydrophobicContact CB-CZ 3.78Å; R286-F288 HydrophobicContact CG-CD1 4.01Å; R286-F288 HydrophobicContact CG-CD2 4.3Å; R286-F288 HydrophobicContact CG-CE1 3.51Å; R286-F288 HydrophobicContact CG-CE2 3.84Å; R286-F288 HydrophobicContact CG-CG 4.38Å; R286-F288 HydrophobicContact CG-CZ 3.42Å; R286-F288 VanDerWaalsContact CG-CZ 3.42Å; R286-F288 PolarHBondContact O-N 3.41Å; R286-T314 PolarHBondContact N-OG1 3.47Å
287K91.6Very high91.2Very high63 Ų6347.7 Ų47.727%0.27425%0.247SC..EExtended strand (participates in β ladder)trans48.956.5-178.8-61.8-177.5-174.360.90112.4D285 A289 T314 V337D285-K287 VanDerWaalsContact C-N 3.31Å; D285-K287 PolarHBondContact O-N 2.74Å; D285-K287 WeakPolarHBondContact OD1-CG 3.42Å; D285-K287 IonicContact OD1-NZ 3.28Å; D285-K287 PolarHBondContact OD1-NZ 3.23Å; D285-K287 IonicContact OD2-NZ 3.95Å; D285-K287 PolarHBondContact OD2-NZ 3.23Å; K287-A289 PolarHBondContact O-N 2.95Å; K287-T314 WeakPolarHBondContact CA-O 3.42Å; K287-T314 WeakPolarHBondContact CA-OG1 3.36Å; K287-T314 WeakPolarHBondContact CG-OG1 3.46Å; K287-T314 PolarHBondContact N-O 3.25Å; K287-T314 PolarHBondContact N-OG1 2.95Å; K287-V337 HydrophobicContact CG-CG2 4.46Å
288F91.2Very high91.2Very high3 Ų344 Ų441%0.01323%0.226CC..EExtended strand (participates in β ladder)trans-55.6130.2179.2-67.7-72.3000111.3R286 V295 Q298 L299 P306 V313 T314 I315 H316 I323R286-F288 HydrophobicContact CB-CD2 4.13Å; R286-F288 HydrophobicContact CB-CE1 4.29Å; R286-F288 HydrophobicContact CB-CE2 3.68Å; R286-F288 HydrophobicContact CB-CZ 3.78Å; R286-F288 HydrophobicContact CG-CD1 4.01Å; R286-F288 HydrophobicContact CG-CD2 4.3Å; R286-F288 HydrophobicContact CG-CE1 3.51Å; R286-F288 HydrophobicContact CG-CE2 3.84Å; R286-F288 HydrophobicContact CG-CG 4.38Å; R286-F288 HydrophobicContact CG-CZ 3.42Å; R286-F288 VanDerWaalsContact CG-CZ 3.42Å; R286-F288 PolarHBondContact O-N 3.41Å; F288-V295 HydrophobicContact CB-CG1 3.8Å; F288-V295 HydrophobicContact CB-CG2 4Å; F288-V295 HydrophobicContact CD1-CG1 3.88Å; F288-V295 HydrophobicContact CD1-CG2 4.35Å; F288-V295 HydrophobicContact CD2-CG1 4.38Å; F288-V295 HydrophobicContact CG-CG1 3.77Å; F288-Q298 HydrophobicContact CD1-CB 4.32Å; F288-Q298 VanDerWaalsContact CD1-OE1 3.28Å; F288-Q298 HydrophobicContact CE1-CB 3.69Å; F288-L299 HydrophobicContact CD2-CD2 4.31Å; F288-L299 HydrophobicContact CE1-CD2 4.43Å; F288-L299 HydrophobicContact CE1-CG 4.47Å; F288-L299 HydrophobicContact CE2-CD2 3.41Å; F288-L299 VanDerWaalsContact CE2-CD2 3.41Å; F288-L299 HydrophobicContact CE2-CG 4.12Å; F288-L299 HydrophobicContact CZ-CD2 3.48Å; F288-L299 VanDerWaalsContact CZ-CD2 3.48Å; F288-L299 HydrophobicContact CZ-CG 3.95Å; F288-P306 HydrophobicContact CZ-CG 4.37Å; F288-V313 HydrophobicContact CD2-CB 4.34Å; F288-V313 HydrophobicContact CD2-CG2 4.47Å; F288-V313 HydrophobicContact CE2-CB 3.96Å; F288-V313 HydrophobicContact CE2-CG1 4.03Å; F288-V313 HydrophobicContact CE2-CG2 4.32Å; F288-T314 WeakPolarHBondContact CD2-O 3.38Å; F288-T314 PolarHBondContact N-O 2.99Å; F288-I315 HydrophobicContact CB-CB 4.42Å; F288-I315 HydrophobicContact CB-CG2 4.19Å; F288-I315 HydrophobicContact CD2-CG2 4.24Å; F288-I315 CarbonylContact O-C 3.56Å; F288-I315 WeakPolarHBondContact O-CA 3.36Å; F288-H316 PolarHBondContact O-N 3.27Å; F288-I323 HydrophobicContact CB-CD1 4.07Å; F288-I323 VanDerWaalsContact O-CD1 3.31Å; F288-I323 WeakPolarHBondContact O-CD1 3.18Å
289A92.6Very high90.7Very high54 Ų5441.8 Ų41.845%0.44622%0.217SC..  trans-145.636.3-172.700000112.2K287 H316 I318K287-A289 PolarHBondContact O-N 2.95Å; A289-H316 HydrophobicContact CB-CB 3.98Å; A289-I318 HydrophobicContact CB-CG2 4.08Å
290D93.7Very high90Very high64 Ų6443.4 Ų43.434%0.34223%0.225SC..SBendtrans-120.9175.2-180-151.6-50.1000110.1V294 V295 A319 I323D290-V294 HydrophobicContact CB-CB 4.15Å; D290-V294 HydrophobicContact CB-CG1 4.05Å; D290-V294 WeakPolarHBondContact OD2-CG1 3.41Å; D290-V295 HydrophobicContact CB-CG2 3.85Å; D290-V295 WeakPolarHBondContact O-CG2 3.33Å; D290-A319 WeakPolarHBondContact O-CB 3.36Å; D290-I323 WeakPolarHBondContact O-CD1 3.45Å
291T89.6Confident89.3Confident81 Ų8149.9 Ų49.950%0.49726%0.255SS..  trans-52.5148.4170.161.90000111.7D293 V294 V295T291-D293 VanDerWaalsContact C-N 3.27Å; T291-D293 PolarHBondContact O-N 3.25Å; T291-V294 PolarHBondContact O-N 3.06Å; T291-V294 VanDerWaalsContact O-N 3.1Å; T291-V294 VanDerWaalsContact OG1-CG2 3.31Å; T291-V294 WeakPolarHBondContact OG1-CG2 3.34Å; T291-V295 PolarHBondContact O-N 2.92Å
292G84.5Confident89.1Confident16 Ų1650.9 Ų50.917%0.16526%0.263CS..Hα-helixtrans-55.7-37.2-175.700000114.4K296 G322 V326G292-K296 VanDerWaalsContact O-CB 3.28Å; G292-K296 WeakPolarHBondContact O-CB 3.39Å; G292-K296 PolarHBondContact O-N 3.39Å; G292-G322 WeakPolarHBondContact CA-O 3.39Å; G292-V326 WeakPolarHBondContact O-CG2 3.1Å
293D84.9Confident88.9Confident92 Ų9256.7 Ų56.749%0.49229%0.293SS..Hα-helixtrans-67.2-41.8178.1-173.762.2000112.5T291 K296 K297T291-D293 VanDerWaalsContact C-N 3.27Å; T291-D293 PolarHBondContact O-N 3.25Å; D293-K296 PolarHBondContact O-N 2.82Å; D293-K297 WeakPolarHBondContact O-CG 3.41Å; D293-K297 PolarHBondContact O-N 2.62Å; D293-K297 VanDerWaalsContact O-N 3.09Å; D293-K297 WeakPolarHBondContact OD2-CE 2.99Å; D293-K297 IonicContact OD2-NZ 3.49Å; D293-K297 PolarHBondContact OD2-NZ 3.45Å
294V92Very high88.7Confident48 Ų4859.2 Ų59.229%0.29130%0.302SS..Hα-helixtrans-67.3-44.4177.1176.10000110.4D290 T291 K296 K297 Q298D290-V294 HydrophobicContact CB-CB 4.15Å; D290-V294 HydrophobicContact CB-CG1 4.05Å; D290-V294 WeakPolarHBondContact OD2-CG1 3.41Å; T291-V294 PolarHBondContact O-N 3.06Å; T291-V294 VanDerWaalsContact O-N 3.1Å; T291-V294 VanDerWaalsContact OG1-CG2 3.31Å; T291-V294 WeakPolarHBondContact OG1-CG2 3.34Å; V294-K296 VanDerWaalsContact C-N 3.32Å; V294-K296 PolarHBondContact O-N 2.82Å; V294-K297 CarbonylContact O-C 3.5Å; V294-K297 WeakPolarHBondContact O-CA 3.28Å; V294-K297 WeakPolarHBondContact O-CB 3.45Å; V294-K297 PolarHBondContact O-N 3.23Å; V294-K297 VanDerWaalsContact O-N 3.08Å; V294-Q298 HydrophobicContact CG1-CG 4.31Å; V294-Q298 WeakPolarHBondContact O-CG 3.26Å; V294-Q298 PolarHBondContact O-N 2.63Å
295V89Confident88.3Confident2 Ų262 Ų621%0.01231%0.314CS..Hα-helixtrans-62.4-40.8177.5173.50000111.4F288 D290 T291 K297 Q298 L299 I323 V326F288-V295 HydrophobicContact CB-CG1 3.8Å; F288-V295 HydrophobicContact CB-CG2 4Å; F288-V295 HydrophobicContact CD1-CG1 3.88Å; F288-V295 HydrophobicContact CD1-CG2 4.35Å; F288-V295 HydrophobicContact CD2-CG1 4.38Å; F288-V295 HydrophobicContact CG-CG1 3.77Å; D290-V295 HydrophobicContact CB-CG2 3.85Å; D290-V295 WeakPolarHBondContact O-CG2 3.33Å; T291-V295 PolarHBondContact O-N 2.92Å; V295-K297 VanDerWaalsContact C-N 3.29Å; V295-K297 PolarHBondContact O-N 3Å; V295-Q298 PolarHBondContact O-N 3.26Å; V295-Q298 VanDerWaalsContact O-N 3.16Å; V295-L299 HydrophobicContact CG1-CD1 4.02Å; V295-L299 HydrophobicContact CG1-CG 4.33Å; V295-L299 WeakPolarHBondContact O-CB 3.25Å; V295-L299 WeakPolarHBondContact O-CG 3.07Å; V295-L299 PolarHBondContact O-N 2.7Å; V295-I323 HydrophobicContact CB-CG1 4.2Å; V295-I323 HydrophobicContact CG1-CG1 4.19Å; V295-I323 HydrophobicContact CG2-CD1 3.78Å; V295-I323 HydrophobicContact CG2-CG1 3.85Å; V295-V326 HydrophobicContact CB-CG2 4.49Å; V295-V326 HydrophobicContact CG1-CG1 4.31Å; V295-V326 HydrophobicContact CG1-CG2 4.5Å
296K84.6Confident87.9Confident117 Ų11761.2 Ų61.251%0.50931%0.311SS..Hα-helixtrans-57.4-42.3173-175.3178.7179.8-177.80111.7G292 D293 V294 L299 L300 V326G292-K296 VanDerWaalsContact O-CB 3.28Å; G292-K296 WeakPolarHBondContact O-CB 3.39Å; G292-K296 PolarHBondContact O-N 3.39Å; D293-K296 PolarHBondContact O-N 2.82Å; V294-K296 VanDerWaalsContact C-N 3.32Å; V294-K296 PolarHBondContact O-N 2.82Å; K296-L299 PolarHBondContact O-N 3.31Å; K296-L300 HydrophobicContact CG-CD1 3.83Å; K296-L300 WeakPolarHBondContact O-CB 3.36Å; K296-L300 WeakPolarHBondContact O-CG 3.47Å; K296-L300 PolarHBondContact O-N 3.44Å; K296-V326 HydrophobicContact CB-CG1 4.15Å; K296-V326 HydrophobicContact CB-CG2 4.44Å
297K85.2Confident87.2Confident109 Ų10959.3 Ų59.347%0.47431%0.309SS..Hα-helixtrans-66.9-41174.8-71.2164.6177.7160.40112.3D293 V294 V295 L299 L300 H301D293-K297 WeakPolarHBondContact O-CG 3.41Å; D293-K297 PolarHBondContact O-N 2.62Å; D293-K297 VanDerWaalsContact O-N 3.09Å; D293-K297 WeakPolarHBondContact OD2-CE 2.99Å; D293-K297 IonicContact OD2-NZ 3.49Å; D293-K297 PolarHBondContact OD2-NZ 3.45Å; V294-K297 CarbonylContact O-C 3.5Å; V294-K297 WeakPolarHBondContact O-CA 3.28Å; V294-K297 WeakPolarHBondContact O-CB 3.45Å; V294-K297 PolarHBondContact O-N 3.23Å; V294-K297 VanDerWaalsContact O-N 3.08Å; V295-K297 VanDerWaalsContact C-N 3.29Å; V295-K297 PolarHBondContact O-N 3Å; K297-L299 VanDerWaalsContact C-N 3.31Å; K297-L299 PolarHBondContact O-N 3.28Å; K297-L300 PolarHBondContact O-N 3Å; K297-H301 WeakPolarHBondContact O-CA 3.33Å; K297-H301 WeakPolarHBondContact O-CB 3.26Å; K297-H301 PolarHBondContact O-N 2.87Å
298Q89.7Confident86.5Confident55 Ų5560.8 Ų60.826%0.25732%0.319SS..Hα-helixtrans-63.2-38.1176.6-68.2170-26.600111.7F288 V294 V295 S302F288-Q298 HydrophobicContact CD1-CB 4.32Å; F288-Q298 VanDerWaalsContact CD1-OE1 3.28Å; F288-Q298 HydrophobicContact CE1-CB 3.69Å; V294-Q298 HydrophobicContact CG1-CG 4.31Å; V294-Q298 WeakPolarHBondContact O-CG 3.26Å; V294-Q298 PolarHBondContact O-N 2.63Å; V295-Q298 PolarHBondContact O-N 3.26Å; V295-Q298 VanDerWaalsContact O-N 3.16Å; Q298-S302 WeakPolarHBondContact O-CB 3.47Å; Q298-S302 PolarHBondContact O-N 2.85Å; Q298-S302 PolarHBondContact O-OG 3.26Å
299L82.5Confident86Confident8 Ų860.7 Ų60.74%0.04232%0.318CS..Hα-helixtrans-69.4-38.9177.1-76.5173.2000113.6F288 V295 K296 K297 P306 T307 V313 V326 L332F288-L299 HydrophobicContact CD2-CD2 4.31Å; F288-L299 HydrophobicContact CE1-CD2 4.43Å; F288-L299 HydrophobicContact CE1-CG 4.47Å; F288-L299 HydrophobicContact CE2-CD2 3.41Å; F288-L299 VanDerWaalsContact CE2-CD2 3.41Å; F288-L299 HydrophobicContact CE2-CG 4.12Å; F288-L299 HydrophobicContact CZ-CD2 3.48Å; F288-L299 VanDerWaalsContact CZ-CD2 3.48Å; F288-L299 HydrophobicContact CZ-CG 3.95Å; V295-L299 HydrophobicContact CG1-CD1 4.02Å; V295-L299 HydrophobicContact CG1-CG 4.33Å; V295-L299 WeakPolarHBondContact O-CB 3.25Å; V295-L299 WeakPolarHBondContact O-CG 3.07Å; V295-L299 PolarHBondContact O-N 2.7Å; K296-L299 PolarHBondContact O-N 3.31Å; K297-L299 VanDerWaalsContact C-N 3.31Å; K297-L299 PolarHBondContact O-N 3.28Å; L299-P306 HydrophobicContact CD2-CG 3.71Å; L299-T307 HydrophobicContact CB-CG2 3.79Å; L299-T307 HydrophobicContact CD2-CG2 4.43Å; L299-T307 WeakPolarHBondContact O-CG2 3.14Å; L299-T307 PolarHBondContact O-OG1 2.93Å; L299-V313 HydrophobicContact CD2-CG1 4.11Å; L299-V313 HydrophobicContact CD2-CG2 4.36Å; L299-V326 HydrophobicContact CD1-CG1 3.38Å; L299-L332 HydrophobicContact CD2-CD2 3.84Å
300L78.6Confident85.8Confident75 Ų7558.4 Ų58.439%0.39330%0.299SS..Hα-helixtrans-94.4-35.3-173.5-66.6172.9000113.9K296 K297 T307K296-L300 HydrophobicContact CG-CD1 3.83Å; K296-L300 WeakPolarHBondContact O-CB 3.36Å; K296-L300 WeakPolarHBondContact O-CG 3.47Å; K296-L300 PolarHBondContact O-N 3.44Å; K297-L300 PolarHBondContact O-N 3Å; L300-T307 HydrophobicContact CD2-CG2 4.12Å
301H80.9Confident85.5Confident141 Ų14157.3 Ų57.365%0.65329%0.293SS*.Hα-helixtrans-120.7-3.7-165-56.8-59.6000114.4K297K297-H301 WeakPolarHBondContact O-CA 3.33Å; K297-H301 WeakPolarHBondContact O-CB 3.26Å; K297-H301 PolarHBondContact O-N 2.87Å
302S87.8Confident85.5Confident31 Ų3153.4 Ų53.422%0.21727%0.27CS..SBendtrans-59.7165.1171.662.50000111.4Q298 Y304 K305Q298-S302 WeakPolarHBondContact O-CB 3.47Å; Q298-S302 PolarHBondContact O-N 2.85Å; Q298-S302 PolarHBondContact O-OG 3.26Å; S302-Y304 PolarHBondContact O-N 3.02Å; S302-Y304 PolarHBondContact OG-N 3.33Å; S302-K305 WeakPolarHBondContact O-CG 3.37Å; S302-K305 PolarHBondContact O-NZ 2.93Å; S302-K305 VanDerWaalsContact O-NZ 3.15Å; S302-K305 PolarHBondContact OG-N 3.39Å
303I91.2Very high85.8Confident121 Ų12152.7 Ų52.762%0.62126%0.262SS*.SBendtrans-59.4-33.9170.158.4175.3000110.9
304Y91.3Very high86Confident54 Ų5448.5 Ų48.521%0.21224%0.24CC..SBendtrans-77.4-34.8-177.1-49.8-62.5000114.2A257 D258 F263 S302 W309A257-Y304 HydrophobicContact CB-CD1 3.86Å; A257-Y304 HydrophobicContact CB-CE1 4.49Å; A257-Y304 HydrophobicContact CB-CG 4.04Å; A257-Y304 WeakPolarHBondContact O-CE1 3.3Å; D258-Y304 WeakPolarHBondContact CA-OH 3.37Å; D258-Y304 HydrophobicContact CB-CE2 3.84Å; F263-Y304 HydrophobicContact CB-CD1 4.49Å; F263-Y304 HydrophobicContact CB-CE1 4.32Å; F263-Y304 AromaticContact CD1-CD1 3.66Å; F263-Y304 HydrophobicContact CD1-CD1 3.66Å; F263-Y304 HydrophobicContact CD1-CE1 4.23Å; F263-Y304 HydrophobicContact CD2-CD1 4.11Å; F263-Y304 AromaticContact CE1-CD1 3.86Å; F263-Y304 HydrophobicContact CE1-CD1 3.86Å; F263-Y304 HydrophobicContact CE2-CD1 4.27Å; F263-Y304 AromaticContact CG-CD1 3.81Å; F263-Y304 HydrophobicContact CG-CD1 3.81Å; F263-Y304 HydrophobicContact CG-CE1 4.14Å; F263-Y304 HydrophobicContact CZ-CD1 4.16Å; S302-Y304 PolarHBondContact O-N 3.02Å; S302-Y304 PolarHBondContact OG-N 3.33Å; Y304-W309 PolarHBondContact O-NE1 3.12Å
305K85.8Confident85.8Confident60 Ų6046.3 Ų46.326%0.26123%0.226SC..  trans45.658.1179.9-52.3-174.4-178.358.50114L265 S302 T307 I308 W309L265-K305 HydrophobicContact CD1-CD 4.37Å; L265-K305 HydrophobicContact CD2-CB 4.42Å; S302-K305 WeakPolarHBondContact O-CG 3.37Å; S302-K305 PolarHBondContact O-NZ 2.93Å; S302-K305 VanDerWaalsContact O-NZ 3.15Å; S302-K305 PolarHBondContact OG-N 3.39Å; K305-T307 PolarHBondContact O-N 3.49Å; K305-I308 HydrophobicContact CB-CD1 3.64Å; K305-I308 HydrophobicContact CB-CG1 4.02Å; K305-I308 HydrophobicContact CD-CD1 3.64Å; K305-I308 HydrophobicContact CG-CD1 4.27Å; K305-I308 WeakPolarHBondContact O-CB 3.46Å; K305-I308 PolarHBondContact O-N 2.89Å; K305-W309 VanDerWaalsContact O-CD1 3.27Å; K305-W309 PolarHBondContact O-NE1 3.46Å
306P84.4Confident85.7Confident4 Ų447.4 Ų47.43%0.02623%0.231CC..Hα-helixtrans-55.1-27.5-176.223.3-35.3000114.1E284 F288 L299 I308 W309 A310 V313E284-P306 HydrophobicContact CB-CB 4.37Å; E284-P306 HydrophobicContact CG-CB 4.14Å; F288-P306 HydrophobicContact CZ-CG 4.37Å; L299-P306 HydrophobicContact CD2-CG 3.71Å; P306-I308 PolarHBondContact O-N 3.27Å; P306-W309 HydrophobicContact CB-CZ2 4.29Å; P306-W309 PolarHBondContact O-N 3.27Å; P306-W309 VanDerWaalsContact O-N 3.11Å; P306-A310 HydrophobicContact CB-CB 4.21Å; P306-A310 WeakPolarHBondContact O-CB 3.44Å; P306-A310 PolarHBondContact O-N 2.84Å; P306-V313 HydrophobicContact CB-CG1 4.11Å
307T79.3Confident85.4Confident48 Ų4842.5 Ų42.529%0.29421%0.211SC..Hα-helixtrans-58.5-20.1175.250.80000114.3L299 L300 K305 L332L299-T307 HydrophobicContact CB-CG2 3.79Å; L299-T307 HydrophobicContact CD2-CG2 4.43Å; L299-T307 WeakPolarHBondContact O-CG2 3.14Å; L299-T307 PolarHBondContact O-OG1 2.93Å; L300-T307 HydrophobicContact CD2-CG2 4.12Å; K305-T307 PolarHBondContact O-N 3.49Å; T307-L332 HydrophobicContact CG2-CD2 3.95Å
308I77.9Confident85.4Confident93 Ų9343 Ų4348%0.47722%0.218SC..Hα-helixtrans-83.5-32.5179.6-60.6-180000111.4K272 K305 P306K272-I308 WeakPolarHBondContact CE-O 3.27Å; K272-I308 PolarHBondContact NZ-O 3.45Å; K305-I308 HydrophobicContact CB-CD1 3.64Å; K305-I308 HydrophobicContact CB-CG1 4.02Å; K305-I308 HydrophobicContact CD-CD1 3.64Å; K305-I308 HydrophobicContact CG-CD1 4.27Å; K305-I308 WeakPolarHBondContact O-CB 3.46Å; K305-I308 PolarHBondContact O-N 2.89Å; P306-I308 PolarHBondContact O-N 3.27Å
309W81.5Confident85.1Confident2 Ų242.5 Ų42.51%0.00822%0.223CC..Hα-helixtrans-130.8-30.2-164.561.2-94.3000115.7A257 F263 A268 L271 K272 I282 E284 Y304 K305 P306A257-W309 HydrophobicContact CB-CH2 4.06Å; A257-W309 HydrophobicContact CB-CZ2 3.84Å; F263-W309 HydrophobicContact CE2-CZ2 4.25Å; F263-W309 HydrophobicContact CZ-CZ2 4.33Å; F263-W309 AromaticContact CZ-NE1 3.92Å; A268-W309 HydrophobicContact CB-CB 3.88Å; A268-W309 HydrophobicContact CB-CD2 4.33Å; A268-W309 HydrophobicContact CB-CG 3.7Å; L271-W309 HydrophobicContact CD2-CE3 4.36Å; L271-W309 HydrophobicContact CD2-CZ3 4.32Å; K272-W309 HydrophobicContact CD-CB 4.46Å; K272-W309 WeakPolarHBondContact CD-O 3.24Å; K272-W309 HydrophobicContact CG-CB 3.95Å; I282-W309 HydrophobicContact CG2-CE3 3.66Å; I282-W309 HydrophobicContact CG2-CZ3 3.44Å; I282-W309 VanDerWaalsContact CG2-CZ3 3.44Å; E284-W309 HydrophobicContact CB-CH2 3.7Å; E284-W309 HydrophobicContact CB-CZ2 4.29Å; E284-W309 HydrophobicContact CB-CZ3 4.25Å; E284-W309 HydrophobicContact CG-CH2 4.06Å; E284-W309 HydrophobicContact CG-CZ2 4.31Å; E284-W309 WeakPolarHBondContact OE2-CH2 3.23Å; Y304-W309 PolarHBondContact O-NE1 3.12Å; K305-W309 VanDerWaalsContact O-CD1 3.27Å; K305-W309 PolarHBondContact O-NE1 3.46Å; P306-W309 HydrophobicContact CB-CZ2 4.29Å; P306-W309 PolarHBondContact O-N 3.27Å; P306-W309 VanDerWaalsContact O-N 3.11Å
310A87.9Confident84.9Confident5 Ų543.6 Ų43.64%0.04124%0.236CC..  trans-78.1142.2177.300000110.3E284 P306 V313 L332E284-A310 HydrophobicContact CB-CB 3.95Å; P306-A310 HydrophobicContact CB-CB 4.21Å; P306-A310 WeakPolarHBondContact O-CB 3.44Å; P306-A310 PolarHBondContact O-N 2.84Å; A310-V313 HydrophobicContact CB-CG1 4.48Å; A310-L332 HydrophobicContact CB-CD1 4.22Å; A310-L332 VanDerWaalsContact O-CD1 3.28Å; A310-L332 WeakPolarHBondContact O-CD1 3.3Å
311D86.4Confident84.7Confident41 Ų4145.8 Ų45.822%0.21924%0.244CC..SBendtrans-83.6-26.4168.5-60-66.9000110.6T215 L281 I282 A333T215-D311 HydrophobicContact CG2-CB 4.11Å; L281-D311 WeakPolarHBondContact CA-OD2 3.46Å; L281-D311 HydrophobicContact CB-CB 4.14Å; L281-D311 HydrophobicContact CD2-CB 4.21Å; I282-D311 PolarHBondContact N-OD2 2.7Å; I282-D311 PolarHBondContact O-N 3.12Å; D311-A333 PolarHBondContact O-N 3.05Å
312M90.9Very high84.5Confident0 Ų040.9 Ų40.90%023%0.232CC..EExtended strand (participates in β ladder)trans-144.2147.2-172.3-58.7-174.3-74.100111.7T215 L219 V252 L281 I282 L283 E284 A333 L335 L363T215-M312 HydrophobicContact CG2-CG 3.68Å; T215-M312 HydrophobicContact CG2-SD 4.09Å; L219-M312 HydrophobicContact CD2-CE 4.42Å; L219-M312 HydrophobicContact CD2-SD 4.4Å; V252-M312 HydrophobicContact CB-CE 4.5Å; V252-M312 HydrophobicContact CG1-CE 3.78Å; V252-M312 HydrophobicContact CG2-CE 3.81Å; L281-M312 HydrophobicContact CB-CE 3.88Å; L281-M312 HydrophobicContact CD1-CE 4.13Å; I282-M312 PolarHBondContact O-N 3.36Å; I282-M312 VanDerWaalsContact O-N 3.07Å; L283-M312 WeakPolarHBondContact CA-O 3.45Å; L283-M312 HydrophobicContact CB-CB 4.39Å; L283-M312 HydrophobicContact CB-CE 4.27Å; L283-M312 HydrophobicContact CD1-CB 3.6Å; E284-M312 PolarHBondContact N-O 2.93Å; M312-A333 CarbonylContact C-O 3.52Å; M312-A333 WeakPolarHBondContact CA-O 3.45Å; M312-A333 HydrophobicContact CG-CB 4.01Å; M312-L335 HydrophobicContact CB-CD1 3.63Å; M312-L335 HydrophobicContact CG-CD1 4Å; M312-L335 HydrophobicContact SD-CD1 3.8Å; M312-L363 HydrophobicContact CG-CD1 4.38Å; M312-L363 HydrophobicContact SD-CD1 3.74Å
313V89.3Confident84.1Confident1 Ų139.5 Ų39.51%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-130.9153.3171.1-71.20000111.6E284 F288 L299 P306 A310 I315 L332 A333 C334 L335E284-V313 HydrophobicContact CB-CG1 4.08Å; E284-V313 HydrophobicContact CG-CG1 4.4Å; E284-V313 VanDerWaalsContact O-CA 3.28Å; E284-V313 WeakPolarHBondContact O-CA 3.26Å; F288-V313 HydrophobicContact CD2-CB 4.34Å; F288-V313 HydrophobicContact CD2-CG2 4.47Å; F288-V313 HydrophobicContact CE2-CB 3.96Å; F288-V313 HydrophobicContact CE2-CG1 4.03Å; F288-V313 HydrophobicContact CE2-CG2 4.32Å; L299-V313 HydrophobicContact CD2-CG1 4.11Å; L299-V313 HydrophobicContact CD2-CG2 4.36Å; P306-V313 HydrophobicContact CB-CG1 4.11Å; A310-V313 HydrophobicContact CB-CG1 4.48Å; V313-I315 HydrophobicContact CG2-CG2 4.47Å; V313-L332 HydrophobicContact CG1-CD1 4.17Å; V313-L332 HydrophobicContact CG1-CD2 3.99Å; V313-L332 HydrophobicContact CG1-CG 4.45Å; V313-L332 HydrophobicContact CG2-CD2 3.84Å; V313-L332 HydrophobicContact CG2-CG 4.12Å; V313-A333 PolarHBondContact N-O 3.27Å; V313-C334 CarbonylContact O-C 3.59Å; V313-C334 WeakPolarHBondContact O-CA 3.38Å; V313-L335 PolarHBondContact O-N 3.15Å
314T90.4Very high83.2Confident4 Ų434 Ų343%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-92.4141.3171.254.80000112.8L283 E284 D285 R286 K287 F288 L335 V337L283-T314 HydrophobicContact CD1-CG2 4.08Å; E284-T314 PolarHBondContact O-N 2.87Å; E284-T314 VanDerWaalsContact O-N 3.17Å; D285-T314 VanDerWaalsContact CA-OG1 3.28Å; D285-T314 WeakPolarHBondContact CA-OG1 3.26Å; D285-T314 VanDerWaalsContact OD1-CG2 3.25Å; D285-T314 WeakPolarHBondContact OD1-CG2 3.05Å; D285-T314 PolarHBondContact OD1-OG1 3.33Å; R286-T314 PolarHBondContact N-OG1 3.47Å; K287-T314 WeakPolarHBondContact CA-O 3.42Å; K287-T314 WeakPolarHBondContact CA-OG1 3.36Å; K287-T314 WeakPolarHBondContact CG-OG1 3.46Å; K287-T314 PolarHBondContact N-O 3.25Å; K287-T314 PolarHBondContact N-OG1 2.95Å; F288-T314 WeakPolarHBondContact CD2-O 3.38Å; F288-T314 PolarHBondContact N-O 2.99Å; T314-L335 CarbonylContact C-O 3.6Å; T314-L335 WeakPolarHBondContact CA-O 3.45Å; T314-L335 HydrophobicContact CG2-CB 4.14Å; T314-V337 HydrophobicContact CG2-CG2 4.42Å
315I87.2Confident82.3Confident2 Ų238.8 Ų38.81%0.0122%0.218CC..EExtended strand (participates in β ladder)trans-134.9144.9177.778.8-179.4000110.6F288 V313 I323 L324 C327 C334 L335 I336 V337F288-I315 HydrophobicContact CB-CB 4.42Å; F288-I315 HydrophobicContact CB-CG2 4.19Å; F288-I315 HydrophobicContact CD2-CG2 4.24Å; F288-I315 CarbonylContact O-C 3.56Å; F288-I315 WeakPolarHBondContact O-CA 3.36Å; V313-I315 HydrophobicContact CG2-CG2 4.47Å; I315-I323 HydrophobicContact CB-CD1 4.33Å; I315-L324 HydrophobicContact CD1-CD2 3.39Å; I315-L324 HydrophobicContact CG1-CD2 4.36Å; I315-C327 VanDerWaalsContact CD1-SG 3.58Å; I315-C334 HydrophobicContact CD1-CB 3.98Å; I315-C334 HydrophobicContact CG2-CB 4.12Å; I315-L335 PolarHBondContact N-O 3.2Å; I315-I336 HydrophobicContact CD1-CG1 4.16Å; I315-I336 HydrophobicContact CG1-CG1 4.16Å; I315-V337 PolarHBondContact O-N 2.67Å
316H86.5Confident81.4Confident25 Ų2537.3 Ų37.312%0.11621%0.214CC..  trans-95.4132.8168.7-86-71.7000110.6F288 A289 I318 V337 Y351F288-H316 PolarHBondContact O-N 3.27Å; A289-H316 HydrophobicContact CB-CB 3.98Å; H316-I318 HydrophobicContact CB-CG2 3.96Å; H316-I318 PolarHBondContact O-N 2.98Å; H316-V337 WeakPolarHBondContact CE1-CG1 3.41Å; H316-Y351 PolarHBondContact ND1-OH 3.43Å
317P79.4Confident80.2Confident14 Ų1437.3 Ų37.39%0.09121%0.214CC..G310 helixtrans-73.3-2.717630.3-35.5000113.5A319 G320 I336 Y351P317-A319 PolarHBondContact O-N 3.35Å; P317-A319 VanDerWaalsContact O-N 3.1Å; P317-G320 PolarHBondContact O-N 3.26Å; P317-I336 HydrophobicContact CB-CG2 4.33Å; P317-I336 HydrophobicContact CG-CG2 3.98Å; P317-Y351 WeakPolarHBondContact CD-OH 3.42Å; P317-Y351 HydrophobicContact CG-CD1 4.33Å; P317-Y351 HydrophobicContact CG-CE1 3.52Å
318I84.5Confident79Confident120 Ų12037.5 Ų37.562%0.61522%0.22SC*.G310 helixtrans-56.1-29.6-177.1-162.3168.5000114A289 H316 G320 Y351A289-I318 HydrophobicContact CB-CG2 4.08Å; H316-I318 HydrophobicContact CB-CG2 3.96Å; H316-I318 PolarHBondContact O-N 2.98Å; I318-G320 PolarHBondContact O-N 2.94Å; I318-Y351 HydrophobicContact CB-CE2 3.92Å; I318-Y351 HydrophobicContact CD1-CE2 4.39Å; I318-Y351 HydrophobicContact CG1-CE2 4.18Å
319A82.7Confident77.6Confident43 Ų4338.3 Ų38.336%0.35523%0.226SC..G310 helixtrans-78.92.3177.900000113.5D290 P317 I323D290-A319 WeakPolarHBondContact O-CB 3.36Å; P317-A319 PolarHBondContact O-N 3.35Å; P317-A319 VanDerWaalsContact O-N 3.1Å; A319-I323 HydrophobicContact CB-CB 4.29Å; A319-I323 HydrophobicContact CB-CD1 4.5Å; A319-I323 HydrophobicContact CB-CG2 4.39Å
320G78.2Confident76.3Confident31 Ų3141.6 Ų41.632%0.3224%0.238SC..  trans76.9-179.3-178.500000113.7P317 I318 G322 I323P317-G320 PolarHBondContact O-N 3.26Å; I318-G320 PolarHBondContact O-N 2.94Å; G320-G322 PolarHBondContact O-N 3.42Å; G320-I323 VanDerWaalsContact O-CG2 3.25Å; G320-I323 WeakPolarHBondContact O-CG2 3.31Å; G320-I323 PolarHBondContact O-N 2.86Å
321H75.3Confident74.9Confident122 Ų12245.6 Ų45.657%0.56527%0.266SS*.Hα-helixtrans-56.5-22.8-171.6-64.885.7000115.2I323 L324 Q325H321-I323 VanDerWaalsContact C-N 3.29Å; H321-I323 PolarHBondContact O-N 3.5Å; H321-L324 WeakPolarHBondContact O-CB 3.43Å; H321-L324 PolarHBondContact O-N 3.25Å; H321-L324 VanDerWaalsContact O-N 3.08Å; H321-Q325 PolarHBondContact O-N 3.28Å
322G77.5Confident74.2Confident38 Ų3844.1 Ų44.139%0.39226%0.258SS..Hα-helixtrans-61.2-33.7179.500000113.8G292 G320 L324G292-G322 WeakPolarHBondContact CA-O 3.39Å; G320-G322 PolarHBondContact O-N 3.42Å; G322-L324 VanDerWaalsContact C-N 3.31Å
323I79.5Confident73.7Confident1 Ų144.1 Ų44.11%0.00526%0.258CS..Hα-helixtrans-68.6-33.5175-163.6178.6000111.6F288 D290 V295 I315 A319 G320 H321 Q325 V326F288-I323 HydrophobicContact CB-CD1 4.07Å; F288-I323 VanDerWaalsContact O-CD1 3.31Å; F288-I323 WeakPolarHBondContact O-CD1 3.18Å; D290-I323 WeakPolarHBondContact O-CD1 3.45Å; V295-I323 HydrophobicContact CB-CG1 4.2Å; V295-I323 HydrophobicContact CG1-CG1 4.19Å; V295-I323 HydrophobicContact CG2-CD1 3.78Å; V295-I323 HydrophobicContact CG2-CG1 3.85Å; I315-I323 HydrophobicContact CB-CD1 4.33Å; A319-I323 HydrophobicContact CB-CB 4.29Å; A319-I323 HydrophobicContact CB-CD1 4.5Å; A319-I323 HydrophobicContact CB-CG2 4.39Å; G320-I323 VanDerWaalsContact O-CG2 3.25Å; G320-I323 WeakPolarHBondContact O-CG2 3.31Å; G320-I323 PolarHBondContact O-N 2.86Å; H321-I323 VanDerWaalsContact C-N 3.29Å; H321-I323 PolarHBondContact O-N 3.5Å; I323-Q325 VanDerWaalsContact C-N 3.28Å; I323-Q325 PolarHBondContact O-N 3.13Å; I323-V326 VanDerWaalsContact O-CB 3.29Å; I323-V326 WeakPolarHBondContact O-CB 3.35Å; I323-V326 WeakPolarHBondContact O-CG2 3.32Å; I323-V326 PolarHBondContact O-N 3.23Å; I323-V326 VanDerWaalsContact O-N 3.15Å
324L72.2Confident73.3Confident7 Ų744.2 Ų44.24%0.03726%0.258CS..Hα-helixtrans-68.8-29.4-176.9-51.9-177.7000111.4I315 H321 G322 V326 C327 I336 P356 F362I315-L324 HydrophobicContact CD1-CD2 3.39Å; I315-L324 HydrophobicContact CG1-CD2 4.36Å; H321-L324 WeakPolarHBondContact O-CB 3.43Å; H321-L324 PolarHBondContact O-N 3.25Å; H321-L324 VanDerWaalsContact O-N 3.08Å; G322-L324 VanDerWaalsContact C-N 3.31Å; L324-V326 PolarHBondContact O-N 2.79Å; L324-C327 VanDerWaalsContact O-CB 3.29Å; L324-C327 WeakPolarHBondContact O-CB 3.48Å; L324-C327 PolarHBondContact O-N 2.72Å; L324-I336 HydrophobicContact CD2-CD1 4.06Å; L324-I336 HydrophobicContact CD2-CG1 4.46Å; L324-P356 HydrophobicContact CD1-CG 3.52Å; L324-F362 HydrophobicContact CB-CE1 3.86Å; L324-F362 HydrophobicContact CB-CZ 3.71Å; L324-F362 HydrophobicContact CD2-CE1 4.28Å; L324-F362 WeakPolarHBondContact O-CZ 3.39Å
325Q71.6Confident72.9Confident153 Ų15344 Ų4472%0.71526%0.258SS*.G310 helixtrans-62.4-24.5175.1-66.1-171.4-10.400113.2H321 I323 C327 A328H321-Q325 PolarHBondContact O-N 3.28Å; I323-Q325 VanDerWaalsContact C-N 3.28Å; I323-Q325 PolarHBondContact O-N 3.13Å; Q325-C327 PolarHBondContact O-N 2.72Å; Q325-A328 WeakPolarHBondContact O-CB 3.49Å; Q325-A328 PolarHBondContact O-N 2.91Å
326V67.7Low72.7Confident30 Ų3044 Ų4418%0.18226%0.257CS..G310 helixtrans-65.7-26.5176.2-170.90000111.2G292 V295 K296 L299 I323 L324G292-V326 WeakPolarHBondContact O-CG2 3.1Å; V295-V326 HydrophobicContact CB-CG2 4.49Å; V295-V326 HydrophobicContact CG1-CG1 4.31Å; V295-V326 HydrophobicContact CG1-CG2 4.5Å; K296-V326 HydrophobicContact CB-CG1 4.15Å; K296-V326 HydrophobicContact CB-CG2 4.44Å; L299-V326 HydrophobicContact CD1-CG1 3.38Å; I323-V326 VanDerWaalsContact O-CB 3.29Å; I323-V326 WeakPolarHBondContact O-CB 3.35Å; I323-V326 WeakPolarHBondContact O-CG2 3.32Å; I323-V326 PolarHBondContact O-N 3.23Å; I323-V326 VanDerWaalsContact O-N 3.15Å; L324-V326 PolarHBondContact O-N 2.79Å
327C59.2Low72.6Confident4 Ų443.1 Ų43.13%0.02725%0.254CS..G310 helixtrans-88.6-6-178.5-56.50000114.1I315 L324 Q325 N329 C334 F362I315-C327 VanDerWaalsContact CD1-SG 3.58Å; L324-C327 VanDerWaalsContact O-CB 3.29Å; L324-C327 WeakPolarHBondContact O-CB 3.48Å; L324-C327 PolarHBondContact O-N 2.72Å; Q325-C327 PolarHBondContact O-N 2.72Å; C327-N329 PolarHBondContact O-N 2.79Å; C327-N329 VanDerWaalsContact O-N 3.08Å; C327-C334 HydrophobicContact CB-CB 3.5Å; C327-C334 VanDerWaalsContact CB-CB 3.5Å; C327-C334 WeakPolarHBondContact CB-SG 3.47Å; C327-C334 WeakPolarHBondContact SG-CB 3.35Å; C327-C334 CovalentContact SG-SG 2.02Å; C327-C334 PolarHBondContact SG-SG 2.69Å; C327-F362 HydrophobicContact CB-CD1 4.1Å; C327-F362 HydrophobicContact CB-CE1 3.49Å; C327-F362 VanDerWaalsContact CB-CE1 3.49Å; C327-F362 HydrophobicContact CB-CZ 4.26Å
328A52.7Low72.4Confident51 Ų5142.4 Ų42.442%0.42125%0.249SC..G310 helixtrans-63-14.9173.800000112.4Q325 R330Q325-A328 WeakPolarHBondContact O-CB 3.49Å; Q325-A328 PolarHBondContact O-N 2.91Å; A328-R330 PolarHBondContact O-N 2.97Å
329N49Very low72.1Confident110 Ų11039.8 Ų39.859%0.58823%0.234SC*.SBendtrans-79.6100.1177.4-159.6-4.8000111.3C327 S331 L332C327-N329 PolarHBondContact O-N 2.79Å; C327-N329 VanDerWaalsContact O-N 3.08Å; N329-S331 PolarHBondContact O-N 3.33Å; N329-L332 PolarHBondContact O-N 2.83Å
330R53.9Low72.1Confident71 Ų7140.7 Ų40.727%0.26823%0.232SC..THydrogen-bonded Turntrans-59.2-5.9-169.8-62.9-172.1174.9-161.8-2.5117.2F186 A328 L332F186-R330 VanDerWaalsContact CE2-NH2 3.3Å; A328-R330 PolarHBondContact O-N 2.97Å; R330-L332 VanDerWaalsContact C-N 3.32Å
331S59.3Low72.1Confident90 Ų9040.5 Ų40.563%0.62923%0.226SC*.THydrogen-bonded Turntrans-77.7-19.2176.759.40000113.3N329N329-S331 PolarHBondContact O-N 3.33Å
332L71Confident72.3Confident10 Ų1037.1 Ų37.15%0.05221%0.214CC..SBendtrans-132.4119.9-179.4-179.767.8000108.7L299 T307 A310 V313 N329 R330L299-L332 HydrophobicContact CD2-CD2 3.84Å; T307-L332 HydrophobicContact CG2-CD2 3.95Å; A310-L332 HydrophobicContact CB-CD1 4.22Å; A310-L332 VanDerWaalsContact O-CD1 3.28Å; A310-L332 WeakPolarHBondContact O-CD1 3.3Å; V313-L332 HydrophobicContact CG1-CD1 4.17Å; V313-L332 HydrophobicContact CG1-CD2 3.99Å; V313-L332 HydrophobicContact CG1-CG 4.45Å; V313-L332 HydrophobicContact CG2-CD2 3.84Å; V313-L332 HydrophobicContact CG2-CG 4.12Å; N329-L332 PolarHBondContact O-N 2.83Å; R330-L332 VanDerWaalsContact C-N 3.32Å
333A81Confident72.4Confident0 Ų039.8 Ų39.80%022%0.219CC..EExtended strand (participates in β ladder)trans-80.8142.8176.800000110.4H213 T215 D311 M312 V313 L363H213-A333 VanDerWaalsContact CE1-CB 3.46Å; H213-A333 WeakPolarHBondContact CE1-CB 3.2Å; T215-A333 HydrophobicContact CG2-CB 4.07Å; D311-A333 PolarHBondContact O-N 3.05Å; M312-A333 CarbonylContact C-O 3.52Å; M312-A333 WeakPolarHBondContact CA-O 3.45Å; M312-A333 HydrophobicContact CG-CB 4.01Å; V313-A333 PolarHBondContact N-O 3.27Å; A333-L363 HydrophobicContact CB-CD1 3.62Å; A333-L363 HydrophobicContact CB-CG 4.31Å
334C80.1Confident72.5Confident2 Ų242.7 Ų42.71%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-106.1135.6171-68.50000110.6V313 I315 C327 L363V313-C334 CarbonylContact O-C 3.59Å; V313-C334 WeakPolarHBondContact O-CA 3.38Å; I315-C334 HydrophobicContact CD1-CB 3.98Å; I315-C334 HydrophobicContact CG2-CB 4.12Å; C327-C334 HydrophobicContact CB-CB 3.5Å; C327-C334 VanDerWaalsContact CB-CB 3.5Å; C327-C334 WeakPolarHBondContact CB-SG 3.47Å; C327-C334 WeakPolarHBondContact SG-CB 3.35Å; C327-C334 CovalentContact SG-SG 2.02Å; C327-C334 PolarHBondContact SG-SG 2.69Å; C334-L363 CarbonylContact O-C 3.51Å; C334-L363 PolarHBondContact O-N 3.32Å
335L83.1Confident73.1Confident1 Ų144.3 Ų44.31%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-100.1112.1170.6-79.374000109L283 M312 V313 T314 I315 V337 L363 L377L283-L335 HydrophobicContact CD1-CD1 4.09Å; L283-L335 HydrophobicContact CD1-CD2 4.19Å; L283-L335 HydrophobicContact CD2-CD2 4.15Å; M312-L335 HydrophobicContact CB-CD1 3.63Å; M312-L335 HydrophobicContact CG-CD1 4Å; M312-L335 HydrophobicContact SD-CD1 3.8Å; V313-L335 PolarHBondContact O-N 3.15Å; T314-L335 CarbonylContact C-O 3.6Å; T314-L335 WeakPolarHBondContact CA-O 3.45Å; T314-L335 HydrophobicContact CG2-CB 4.14Å; I315-L335 PolarHBondContact N-O 3.2Å; L335-V337 PolarHBondContact O-N 3.38Å; L335-L363 VanDerWaalsContact CA-O 3.22Å; L335-L363 WeakPolarHBondContact CA-O 3.46Å; L335-L363 HydrophobicContact CD1-CB 3.85Å; L335-L363 HydrophobicContact CD1-CD1 4.25Å; L335-L363 HydrophobicContact CG-CB 3.93Å; L335-L377 HydrophobicContact CD2-CB 4.22Å; L335-L377 HydrophobicContact CD2-CD1 3.85Å; L335-L377 HydrophobicContact CD2-CD2 3.53Å; L335-L377 HydrophobicContact CD2-CG 4.03Å
336I82.3Confident73.6Confident0 Ų044.2 Ų44.20%027%0.265CS..EExtended strand (participates in β ladder)trans-72.8124.8174.3-57.8-174.3000109I315 P317 L324 A338 E355 F362 L363 F364 S365I315-I336 HydrophobicContact CD1-CG1 4.16Å; I315-I336 HydrophobicContact CG1-CG1 4.16Å; P317-I336 HydrophobicContact CB-CG2 4.33Å; P317-I336 HydrophobicContact CG-CG2 3.98Å; L324-I336 HydrophobicContact CD2-CD1 4.06Å; L324-I336 HydrophobicContact CD2-CG1 4.46Å; I336-A338 PolarHBondContact O-N 2.91Å; I336-E355 HydrophobicContact CG2-CG 4.05Å; I336-E355 WeakPolarHBondContact CG2-OE1 3.45Å; I336-F362 HydrophobicContact CD1-CB 4.3Å; I336-F362 HydrophobicContact CD1-CD1 3.96Å; I336-F362 HydrophobicContact CD1-CG 4.18Å; I336-F362 HydrophobicContact CG1-CD1 4.24Å; I336-L363 PolarHBondContact N-O 3.05Å; I336-L363 VanDerWaalsContact N-O 3.11Å; I336-F364 HydrophobicContact CB-CD1 4.04Å; I336-F364 HydrophobicContact CB-CE1 4.47Å; I336-F364 HydrophobicContact CD1-CD1 4.17Å; I336-F364 HydrophobicContact CD1-CE1 3.73Å; I336-F364 HydrophobicContact CD1-CZ 4.3Å; I336-F364 HydrophobicContact CG1-CD1 4.4Å; I336-F364 HydrophobicContact CG1-CE1 4.43Å; I336-S365 PolarHBondContact O-N 2.85Å; I336-S365 PolarHBondContact O-OG 2.76Å
337V84Confident74.1Confident7 Ų743.6 Ų43.64%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-81.491.3175.1-175.20000109K287 T314 I315 H316 L335 M340 S365K287-V337 HydrophobicContact CG-CG2 4.46Å; T314-V337 HydrophobicContact CG2-CG2 4.42Å; I315-V337 PolarHBondContact O-N 2.67Å; H316-V337 WeakPolarHBondContact CE1-CG1 3.41Å; L335-V337 PolarHBondContact O-N 3.38Å; V337-M340 HydrophobicContact CG1-CG 4.01Å; V337-S365 WeakPolarHBondContact CA-OG 3.48Å
338A75.3Confident74.8Confident0 Ų046.4 Ų46.40%028%0.281CS..  trans-79.2-35.7-177.600000112.9I336 T347 K352 E355 S365 S366I336-A338 PolarHBondContact O-N 2.91Å; A338-T347 WeakPolarHBondContact O-CB 3.28Å; A338-K352 WeakPolarHBondContact O-CE 3.48Å; A338-K352 WeakPolarHBondContact O-CG 3.41Å; A338-E355 WeakPolarHBondContact CA-OE1 3.41Å; A338-E355 WeakPolarHBondContact CB-OE1 3.29Å; A338-S365 PolarHBondContact N-O 3.19Å; A338-S366 WeakPolarHBondContact CB-O 3.49Å
339E78.3Confident75.6Confident64 Ų6449.9 Ų49.930%0.29929%0.292SS..  trans-142.1149.9-179.6-165.4175.6158.700110.6T347 K352 S366E339-T347 WeakPolarHBondContact CA-OG1 3.33Å; E339-K352 IonicContact OE2-NZ 2.68Å; E339-K352 PolarHBondContact OE2-NZ 3.23Å; E339-S366 WeakPolarHBondContact CB-OG 3.32Å; E339-S366 PolarHBondContact N-OG 3.26Å; E339-S366 PolarHBondContact O-OG 3.39Å
340M82.3Confident76.6Confident62 Ų6251.3 Ų51.331%0.30530%0.3SS..  trans-117142.1171.6-59.7-17366.400111.2V337 T342 T347V337-M340 HydrophobicContact CG1-CG 4.01Å; M340-T342 PolarHBondContact O-N 3.21Å; M340-T347 HydrophobicContact CG-CG2 4.14Å; M340-T347 PolarHBondContact N-OG1 3.06Å; M340-T347 VanDerWaalsContact N-OG1 3.11Å
341S78.9Confident77.5Confident27 Ų2750.1 Ų50.119%0.18930%0.296CS..  trans-8312.6-180490000114.4Q392 R393S341-Q392 PolarHBondContact OG-NE2 3.46Å; S341-R393 WeakPolarHBondContact O-CB 3.41Å; S341-R393 PolarHBondContact O-N 3.34Å
342T79.9Confident77.8Confident52 Ų5247.2 Ų47.232%0.31927%0.272SS..BIsolated β-bridgetrans-90.5146.1179.153.40000111.3M340 S345 G391M340-T342 PolarHBondContact O-N 3.21Å; T342-S345 PolarHBondContact O-N 3.39Å; T342-G391 CarbonylContact C-O 3.48Å; T342-G391 WeakPolarHBondContact CA-O 3.33Å
343D79.3Confident76.9Confident93 Ų9350.7 Ų50.750%0.49730%0.302SS..THydrogen-bonded Turntrans-59.3142.3172.4-158.72.5000111.7S345 G391 R393D343-S345 VanDerWaalsContact C-N 3.27Å; D343-S345 PolarHBondContact O-N 3.25Å; D343-G391 PolarHBondContact N-O 3.08Å; D343-R393 VanDerWaalsContact CG-CZ 3.45Å; D343-R393 IonicContact OD1-CZ 3.21Å; D343-R393 IonicContact OD1-NE 3.96Å; D343-R393 IonicContact OD1-NH1 3.59Å; D343-R393 IonicContact OD1-NH2 2.7Å; D343-R393 PolarHBondContact OD1-NH2 2.91Å; D343-R393 IonicContact OD2-CZ 3.65Å; D343-R393 IonicContact OD2-NE 3.95Å; D343-R393 IonicContact OD2-NH2 2.82Å; D343-R393 PolarHBondContact OD2-NH2 3.33Å
344G82.5Confident75.6Confident63 Ų6352.5 Ų52.565%0.64932%0.32SS*.THydrogen-bonded Turntrans6914.5-178.600000115.8L346G344-L346 PolarHBondContact O-N 3.19Å
345S82.9Confident74.5Confident41 Ų4153.2 Ų53.229%0.28732%0.324SS..  trans-56.9134.1178.7-174.40000112.6T342 D343 T347T342-S345 PolarHBondContact O-N 3.39Å; D343-S345 VanDerWaalsContact C-N 3.27Å; D343-S345 PolarHBondContact O-N 3.25Å; S345-T347 VanDerWaalsContact C-N 3.25Å; S345-T347 PolarHBondContact O-N 3.2Å; S345-T347 PolarHBondContact OG-N 2.89Å; S345-T347 PolarHBondContact OG-OG1 3.05Å
346L83.9Confident73Confident151 Ų15154.5 Ų54.579%0.79133%0.332SS*.  trans-85.16.1176.4-57.2-178.4000113.4G344 S348G344-L346 PolarHBondContact O-N 3.19Å; L346-S348 PolarHBondContact O-N 2.8Å
347T77.6Confident71.2Confident16 Ų1656.4 Ų56.410%0.09835%0.348CS..  trans-73.953.1176.754.70000112.6A338 E339 M340 S345 Y351A338-T347 WeakPolarHBondContact O-CB 3.28Å; E339-T347 WeakPolarHBondContact CA-OG1 3.33Å; M340-T347 HydrophobicContact CG-CG2 4.14Å; M340-T347 PolarHBondContact N-OG1 3.06Å; M340-T347 VanDerWaalsContact N-OG1 3.11Å; S345-T347 VanDerWaalsContact C-N 3.25Å; S345-T347 PolarHBondContact O-N 3.2Å; S345-T347 PolarHBondContact OG-N 2.89Å; S345-T347 PolarHBondContact OG-OG1 3.05Å; T347-Y351 HydrophobicContact CG2-CD1 3.92Å; T347-Y351 HydrophobicContact CG2-CE1 3.88Å; T347-Y351 HydrophobicContact CG2-CG 4.47Å
348S73.2Confident69.5Low63 Ų6361.7 Ų61.744%0.44137%0.372SS..  trans-67171.117868.10000112.3L346 N350 Y351 K352L346-S348 PolarHBondContact O-N 2.8Å; S348-N350 PolarHBondContact O-N 3.2Å; S348-N350 VanDerWaalsContact O-N 3.1Å; S348-Y351 WeakPolarHBondContact O-CA 3.37Å; S348-Y351 VanDerWaalsContact O-CB 3.26Å; S348-Y351 WeakPolarHBondContact O-CB 3.47Å; S348-Y351 PolarHBondContact O-N 3.4Å; S348-K352 PolarHBondContact O-N 3.25Å; S348-K352 VanDerWaalsContact O-N 3.14Å
349N69.1Low68.1Low124 Ų12464.2 Ų64.266%0.66339%0.385SS*.Hα-helixtrans-55-31.1175.8-67-19.4000113.3K352 A353N349-K352 PolarHBondContact O-N 2.92Å; N349-A353 PolarHBondContact O-N 3.23Å
350N71.6Confident66.5Low141 Ų14162.7 Ų62.775%0.75438%0.381SS*.Hα-helixtrans-71.3-32.3175.9-72.2-10.5000112.7S348 K352 A353S348-N350 PolarHBondContact O-N 3.2Å; S348-N350 VanDerWaalsContact O-N 3.1Å; N350-K352 VanDerWaalsContact C-N 3.35Å; N350-A353 PolarHBondContact O-N 3.24Å
351Y72.3Confident64.4Low46 Ų4659.9 Ų59.918%0.1837%0.368CS..Hα-helixtrans-65.3-43.5172.8-174.9-89.4000110.4H316 P317 I318 T347 S348 A353 G354H316-Y351 PolarHBondContact ND1-OH 3.43Å; P317-Y351 WeakPolarHBondContact CD-OH 3.42Å; P317-Y351 HydrophobicContact CG-CD1 4.33Å; P317-Y351 HydrophobicContact CG-CE1 3.52Å; I318-Y351 HydrophobicContact CB-CE2 3.92Å; I318-Y351 HydrophobicContact CD1-CE2 4.39Å; I318-Y351 HydrophobicContact CG1-CE2 4.18Å; T347-Y351 HydrophobicContact CG2-CD1 3.92Å; T347-Y351 HydrophobicContact CG2-CE1 3.88Å; T347-Y351 HydrophobicContact CG2-CG 4.47Å; S348-Y351 WeakPolarHBondContact O-CA 3.37Å; S348-Y351 VanDerWaalsContact O-CB 3.26Å; S348-Y351 WeakPolarHBondContact O-CB 3.47Å; S348-Y351 PolarHBondContact O-N 3.4Å; Y351-A353 VanDerWaalsContact C-N 3.32Å; Y351-A353 PolarHBondContact O-N 2.88Å; Y351-G354 PolarHBondContact O-N 2.84Å
352K64.7Low62.9Low29 Ų2959 Ų5913%0.12636%0.361CS..Hα-helixtrans-64.8-32.2177.9-61178.1-178.3-171.10113.1A338 E339 S348 N349 N350 G354 E355A338-K352 WeakPolarHBondContact O-CE 3.48Å; A338-K352 WeakPolarHBondContact O-CG 3.41Å; E339-K352 IonicContact OE2-NZ 2.68Å; E339-K352 PolarHBondContact OE2-NZ 3.23Å; S348-K352 PolarHBondContact O-N 3.25Å; S348-K352 VanDerWaalsContact O-N 3.14Å; N349-K352 PolarHBondContact O-N 2.92Å; N350-K352 VanDerWaalsContact C-N 3.35Å; K352-G354 PolarHBondContact O-N 2.8Å; K352-E355 WeakPolarHBondContact O-CB 3.17Å; K352-E355 WeakPolarHBondContact O-CG 3.31Å; K352-E355 PolarHBondContact O-N 3.04Å; K352-E355 VanDerWaalsContact O-N 3.14Å
353A53.3Low61.1Low82 Ų8256.6 Ų56.668%0.67835%0.346SS*.THydrogen-bonded Turntrans-65.5-13.9177.300000114.2N349 N350 Y351 E355N349-A353 PolarHBondContact O-N 3.23Å; N350-A353 PolarHBondContact O-N 3.24Å; Y351-A353 VanDerWaalsContact C-N 3.32Å; Y351-A353 PolarHBondContact O-N 2.88Å; A353-E355 VanDerWaalsContact C-N 3.28Å
354G52.4Low59.4Low38 Ų3852.3 Ų52.339%0.39232%0.323SS..THydrogen-bonded Turntrans-81.7-0.2173.300000114.5Y351 K352Y351-G354 PolarHBondContact O-N 2.84Å; K352-G354 PolarHBondContact O-N 2.8Å
355E56.8Low57.3Low18 Ų1849.7 Ų49.78%0.08430%0.295CS..SBendtrans-78.8138178.8-64.9-174.5-177.800111.4I336 A338 K352 A353 A357 F364I336-E355 HydrophobicContact CG2-CG 4.05Å; I336-E355 WeakPolarHBondContact CG2-OE1 3.45Å; A338-E355 WeakPolarHBondContact CA-OE1 3.41Å; A338-E355 WeakPolarHBondContact CB-OE1 3.29Å; K352-E355 WeakPolarHBondContact O-CB 3.17Å; K352-E355 WeakPolarHBondContact O-CG 3.31Å; K352-E355 PolarHBondContact O-N 3.04Å; K352-E355 VanDerWaalsContact O-N 3.14Å; A353-E355 VanDerWaalsContact C-N 3.28Å; E355-A357 VanDerWaalsContact C-N 3.32Å; E355-A357 PolarHBondContact O-N 3.28Å; E355-F364 WeakPolarHBondContact OE2-CD1 3.34Å
356P51.8Low54.9Low28 Ų2847.9 Ų47.918%0.18228%0.282CS..  trans-68.897.2169.229.3-32.3000107.4L324 E358 F362L324-P356 HydrophobicContact CD1-CG 3.52Å; P356-E358 PolarHBondContact O-N 2.91Å; P356-F362 HydrophobicContact CG-CE2 4.34Å
357A45Very low52.4Low39 Ų3943.5 Ų43.532%0.32226%0.259SS..THydrogen-bonded Turntrans-61.1-4.8-175.100000114.3E355 T371E355-A357 VanDerWaalsContact C-N 3.32Å; E355-A357 PolarHBondContact O-N 3.28Å; A357-T371 VanDerWaalsContact O-CG2 3.25Å; A357-T371 WeakPolarHBondContact O-CG2 3.49Å
358E47.8Very low50.2Low119 Ų11946.8 Ų46.856%0.55628%0.276SS*.THydrogen-bonded Turntrans-137.70-160.6-68.8-176.6175.600115.1L192 P356 P360L192-E358 HydrophobicContact CD1-CB 4.21Å; L192-E358 WeakPolarHBondContact CD1-O 3.08Å; L192-E358 HydrophobicContact CD2-CB 3.87Å; L192-E358 HydrophobicContact CD2-CG 3.82Å; L192-E358 WeakPolarHBondContact CD2-OE2 3.47Å; P356-E358 PolarHBondContact O-N 2.91Å; E358-P360 WeakPolarHBondContact O-CD 3.1Å
359D47.4Very low48.3Very low52 Ų5244 Ų4428%0.27826%0.256SS..  trans-87.9115.3-177.5-170.4-22.6000112.3A361 F362D359-A361 PolarHBondContact O-N 3.46Å; D359-A361 VanDerWaalsContact OD1-CB 3.27Å; D359-A361 WeakPolarHBondContact OD1-CB 3.09Å; D359-A361 PolarHBondContact OD1-N 3.12Å; D359-F362 HydrophobicContact CB-CD2 3.56Å; D359-F362 HydrophobicContact CB-CE2 3.51Å; D359-F362 VanDerWaalsContact CG-CE2 3.43Å; D359-F362 WeakPolarHBondContact O-CD2 3.32Å; D359-F362 PolarHBondContact O-N 2.83Å; D359-F362 WeakPolarHBondContact OD2-CE2 3.5Å
360P43.1Very low46.5Very low32 Ų3244.3 Ų44.321%0.20826%0.257CS..THydrogen-bonded Turntrans-63.5-4.1-179.724-33.3000115.3T212 E358 F362T212-P360 VanDerWaalsContact CB-CB 3.47Å; T212-P360 HydrophobicContact CG2-CB 3.73Å; T212-P360 VanDerWaalsContact OG1-CA 3.3Å; T212-P360 WeakPolarHBondContact OG1-CA 3.2Å; T212-P360 WeakPolarHBondContact OG1-CB 2.99Å; T212-P360 PolarHBondContact OG1-O 3.09Å; E358-P360 WeakPolarHBondContact O-CD 3.1Å; P360-F362 VanDerWaalsContact C-N 3.35Å
361A39.3Very low44.9Very low4 Ų439 Ų393%0.03323%0.23CC..THydrogen-bonded Turntrans-78.6-1117600000114.4H213 D359H213-A361 PolarHBondContact CD2-O 3.13Å; H213-A361 VanDerWaalsContact CD2-O 3.23Å; D359-A361 PolarHBondContact O-N 3.46Å; D359-A361 VanDerWaalsContact OD1-CB 3.27Å; D359-A361 WeakPolarHBondContact OD1-CB 3.09Å; D359-A361 PolarHBondContact OD1-N 3.12Å
362F46.1Very low43.5Very low9 Ų938 Ų384%0.03923%0.228CC..EExtended strand (participates in β ladder)trans-109.3139.7-168.8-59.9-85.1000114.1L324 C327 I336 P356 D359 P360 F364L324-F362 HydrophobicContact CB-CE1 3.86Å; L324-F362 HydrophobicContact CB-CZ 3.71Å; L324-F362 HydrophobicContact CD2-CE1 4.28Å; L324-F362 WeakPolarHBondContact O-CZ 3.39Å; C327-F362 HydrophobicContact CB-CD1 4.1Å; C327-F362 HydrophobicContact CB-CE1 3.49Å; C327-F362 VanDerWaalsContact CB-CE1 3.49Å; C327-F362 HydrophobicContact CB-CZ 4.26Å; I336-F362 HydrophobicContact CD1-CB 4.3Å; I336-F362 HydrophobicContact CD1-CD1 3.96Å; I336-F362 HydrophobicContact CD1-CG 4.18Å; I336-F362 HydrophobicContact CG1-CD1 4.24Å; P356-F362 HydrophobicContact CG-CE2 4.34Å; D359-F362 HydrophobicContact CB-CD2 3.56Å; D359-F362 HydrophobicContact CB-CE2 3.51Å; D359-F362 VanDerWaalsContact CG-CE2 3.43Å; D359-F362 WeakPolarHBondContact O-CD2 3.32Å; D359-F362 PolarHBondContact O-N 2.83Å; D359-F362 WeakPolarHBondContact OD2-CE2 3.5Å; P360-F362 VanDerWaalsContact C-N 3.35Å; F362-F364 HydrophobicContact CB-CD2 4.38Å; F362-F364 HydrophobicContact CB-CE2 3.73Å; F362-F364 HydrophobicContact CB-CZ 3.91Å
363L42.3Very low42.9Very low0 Ų038 Ų380%023%0.228CC..EExtended strand (participates in β ladder)trans-96.8152.2160.7-74.6174.6000107.5T215 A216 M312 A333 C334 L335 I336 L375T215-L363 HydrophobicContact CG2-CD1 4.48Å; A216-L363 HydrophobicContact CB-CD1 4.36Å; A216-L363 HydrophobicContact CB-CD2 3.37Å; A216-L363 HydrophobicContact CB-CG 4.2Å; M312-L363 HydrophobicContact CG-CD1 4.38Å; M312-L363 HydrophobicContact SD-CD1 3.74Å; A333-L363 HydrophobicContact CB-CD1 3.62Å; A333-L363 HydrophobicContact CB-CG 4.31Å; C334-L363 CarbonylContact O-C 3.51Å; C334-L363 PolarHBondContact O-N 3.32Å; L335-L363 VanDerWaalsContact CA-O 3.22Å; L335-L363 WeakPolarHBondContact CA-O 3.46Å; L335-L363 HydrophobicContact CD1-CB 3.85Å; L335-L363 HydrophobicContact CD1-CD1 4.25Å; L335-L363 HydrophobicContact CG-CB 3.93Å; I336-L363 PolarHBondContact N-O 3.05Å; I336-L363 VanDerWaalsContact N-O 3.11Å; L363-L375 HydrophobicContact CD2-CB 4.02Å; L363-L375 HydrophobicContact CD2-CD1 4.33Å; L363-L375 HydrophobicContact CD2-CG 4.27Å
364F43.9Very low43.3Very low3 Ų334.3 Ų34.31%0.01320%0.198CC..EExtended strand (participates in β ladder)trans-125.9137.3-173.1-66-101.9000110I336 E355 F362 S374 L375 L376 L377I336-F364 HydrophobicContact CB-CD1 4.04Å; I336-F364 HydrophobicContact CB-CE1 4.47Å; I336-F364 HydrophobicContact CD1-CD1 4.17Å; I336-F364 HydrophobicContact CD1-CE1 3.73Å; I336-F364 HydrophobicContact CD1-CZ 4.3Å; I336-F364 HydrophobicContact CG1-CD1 4.4Å; I336-F364 HydrophobicContact CG1-CE1 4.43Å; E355-F364 WeakPolarHBondContact OE2-CD1 3.34Å; F362-F364 HydrophobicContact CB-CD2 4.38Å; F362-F364 HydrophobicContact CB-CE2 3.73Å; F362-F364 HydrophobicContact CB-CZ 3.91Å; F364-S374 VanDerWaalsContact CD2-OG 3.22Å; F364-S374 WeakPolarHBondContact CD2-OG 3.33Å; F364-S374 VanDerWaalsContact CE2-OG 3.27Å; F364-S374 WeakPolarHBondContact CE2-OG 3.46Å; F364-L375 PolarHBondContact N-O 3.19Å; F364-L376 HydrophobicContact CB-CD2 4.46Å; F364-L377 PolarHBondContact O-N 2.99Å
365S38.3Very low44.1Very low9 Ų932.5 Ų32.56%0.06318%0.179CC..EExtended strand (participates in β ladder)trans-103.9106.6169.571.60000110.1I336 V337 A338 L377I336-S365 PolarHBondContact O-N 2.85Å; I336-S365 PolarHBondContact O-OG 2.76Å; V337-S365 WeakPolarHBondContact CA-OG 3.48Å; A338-S365 PolarHBondContact N-O 3.19Å; S365-L377 CarbonylContact C-O 3.54Å; S365-L377 WeakPolarHBondContact CA-O 3.44Å; S365-L377 WeakPolarHBondContact CB-O 3.02Å
366S33.1Very low45.2Very low2 Ų232.3 Ų32.31%0.01418%0.179CC..SBendtrans68.8175.9174.676.20000118.4A338 E339 L377A338-S366 WeakPolarHBondContact CB-O 3.49Å; E339-S366 WeakPolarHBondContact CB-OG 3.32Å; E339-S366 PolarHBondContact N-OG 3.26Å; E339-S366 PolarHBondContact O-OG 3.39Å; S366-L377 PolarHBondContact N-O 3.15Å; S366-L377 VanDerWaalsContact N-O 3.08Å
367L31.5Very low46.9Very low59 Ų5931 Ų3131%0.30917%0.17SC..SBendtrans-46.7129-137.2-112.6100.5000117.9
368L30.6Very low48.7Very low86 Ų8630 Ų3045%0.4516%0.159SC..  trans79.668168.8-78.5148.8000117.2L370L368-L370 HydrophobicContact CD2-CD2 4.01Å; L368-L370 HydrophobicContact CD2-CG 4.09Å
369S33.9Very low50.4Low5 Ų526.2 Ų26.24%0.03514%0.144CC..  trans-76.8117.4134.1170.60000107.3R200 T371 S374R200-S369 PolarHBondContact NH2-O 3.16Å; S369-T371 PolarHBondContact O-N 3.16Å; S369-T371 PolarHBondContact OG-OG1 3.24Å; S369-S374 WeakPolarHBondContact CB-OG 3.29Å; S369-S374 WeakPolarHBondContact OG-CB 3.34Å; S369-S374 PolarHBondContact OG-OG 3.22Å
370L31.3Very low51.9Low129 Ų12924.2 Ų24.268%0.67514%0.136SC*.  trans-68.310.9-179.9-87.7156.9000113.6L368L368-L370 HydrophobicContact CD2-CD2 4.01Å; L368-L370 HydrophobicContact CD2-CG 4.09Å
371T38.1Very low53.7Low31 Ų3122.9 Ų22.919%0.1913%0.127CC..SBendtrans-132.9148.7-173.567.90000112.3A357 S369 F373A357-T371 VanDerWaalsContact O-CG2 3.25Å; A357-T371 WeakPolarHBondContact O-CG2 3.49Å; S369-T371 PolarHBondContact O-N 3.16Å; S369-T371 PolarHBondContact OG-OG1 3.24Å; T371-F373 HydrophobicContact CG2-CD2 4.18Å; T371-F373 HydrophobicContact CG2-CE2 4.31Å; T371-F373 PolarHBondContact O-N 3.16Å; T371-F373 WeakPolarHBondContact OG1-CD2 3.37Å
372T44Very low56.1Low24 Ų2425.2 Ų25.215%0.14714%0.137CC..THydrogen-bonded Turntrans-67.76.5179.740.40000114.4V198 S210V198-T372 HydrophobicContact CB-CG2 4.09Å; V198-T372 HydrophobicContact CG1-CG2 4.37Å; V198-T372 VanDerWaalsContact O-CG2 3.31Å; V198-T372 WeakPolarHBondContact O-CG2 3.22Å; S210-T372 VanDerWaalsContact CB-O 3.28Å; S210-T372 WeakPolarHBondContact CB-O 3.41Å; S210-T372 PolarHBondContact OG-O 3.27Å
373F50.1Low57.8Low28 Ų2827.4 Ų27.412%0.12315%0.147CC..THydrogen-bonded Turntrans-1031.4-168.6-44.8-66000114.6V195 S210 L211 T371V195-F373 HydrophobicContact CB-CE1 3.57Å; V195-F373 HydrophobicContact CB-CZ 3.42Å; V195-F373 VanDerWaalsContact CB-CZ 3.42Å; V195-F373 HydrophobicContact CG1-CE1 3.47Å; V195-F373 VanDerWaalsContact CG1-CE1 3.47Å; V195-F373 HydrophobicContact CG1-CZ 3.81Å; V195-F373 HydrophobicContact CG2-CE1 3.73Å; V195-F373 HydrophobicContact CG2-CZ 3.76Å; S210-F373 WeakPolarHBondContact O-CD1 3.48Å; L211-F373 VanDerWaalsContact CD2-O 3.22Å; L211-F373 WeakPolarHBondContact CD2-O 3.47Å; T371-F373 HydrophobicContact CG2-CD2 4.18Å; T371-F373 HydrophobicContact CG2-CE2 4.31Å; T371-F373 PolarHBondContact O-N 3.16Å; T371-F373 WeakPolarHBondContact OG1-CD2 3.37Å
374S61.9Low59.5Low5 Ų535.4 Ų35.44%0.03518%0.182CC..  trans-118.5145-173.2-510000111.7R207 F364 S369R207-S374 PolarHBondContact NH2-O 2.95Å; R207-S374 VanDerWaalsContact NH2-O 3.1Å; F364-S374 VanDerWaalsContact CD2-OG 3.22Å; F364-S374 WeakPolarHBondContact CD2-OG 3.33Å; F364-S374 VanDerWaalsContact CE2-OG 3.27Å; F364-S374 WeakPolarHBondContact CE2-OG 3.46Å; S369-S374 WeakPolarHBondContact CB-OG 3.29Å; S369-S374 WeakPolarHBondContact OG-CB 3.34Å; S369-S374 PolarHBondContact OG-OG 3.22Å
375L70.7Confident60.7Low0 Ų038.9 Ų38.90%021%0.21CC..  trans-92.1139.8165.5-64.5177000109.6L211 A216 L219 W220 L363 F364 L377 D407L211-L375 HydrophobicContact CD1-CD1 4.18Å; L211-L375 HydrophobicContact CD1-CD2 3.9Å; L211-L375 HydrophobicContact CD1-CG 4.03Å; L211-L375 HydrophobicContact CD2-CD2 4.13Å; L211-L375 HydrophobicContact CD2-CG 3.94Å; A216-L375 HydrophobicContact CB-CD1 4.24Å; A216-L375 WeakPolarHBondContact O-CD1 3.48Å; L219-L375 HydrophobicContact CB-CD1 3.93Å; L219-L375 HydrophobicContact CD2-CD1 3.69Å; L219-L375 HydrophobicContact CG-CD1 3.87Å; W220-L375 HydrophobicContact CE3-CD2 3.46Å; W220-L375 VanDerWaalsContact CE3-CD2 3.46Å; W220-L375 HydrophobicContact CZ3-CD2 3.59Å; L363-L375 HydrophobicContact CD2-CB 4.02Å; L363-L375 HydrophobicContact CD2-CD1 4.33Å; L363-L375 HydrophobicContact CD2-CG 4.27Å; F364-L375 PolarHBondContact N-O 3.19Å; L375-L377 HydrophobicContact CB-CD1 4.37Å; L375-D407 HydrophobicContact CD2-CB 4.47Å
376L78.8Confident62.8Low15 Ų1540.2 Ų40.28%0.07923%0.226CC..BIsolated β-bridgetrans-104.7114.4177.9-64174.3000110.4F364 D407 V408F364-L376 HydrophobicContact CB-CD2 4.46Å; L376-D407 PolarHBondContact N-OD2 2.79Å; L376-D407 WeakPolarHBondContact O-CA 3.28Å; L376-D407 WeakPolarHBondContact O-CB 3.41Å; L376-D407 PolarHBondContact O-N 3.47Å; L376-V408 PolarHBondContact O-N 3.4Å
377L87.2Confident64.9Low0 Ų043.9 Ų43.90%025%0.252CS..EExtended strand (participates in β ladder)trans-100.9132.7171.4-72.573.6000110.1L219 L283 L335 F364 S365 S366 L375 V408 I410L219-L377 HydrophobicContact CD2-CD1 4.47Å; L283-L377 HydrophobicContact CD2-CD2 4.21Å; L335-L377 HydrophobicContact CD2-CB 4.22Å; L335-L377 HydrophobicContact CD2-CD1 3.85Å; L335-L377 HydrophobicContact CD2-CD2 3.53Å; L335-L377 HydrophobicContact CD2-CG 4.03Å; F364-L377 PolarHBondContact O-N 2.99Å; S365-L377 CarbonylContact C-O 3.54Å; S365-L377 WeakPolarHBondContact CA-O 3.44Å; S365-L377 WeakPolarHBondContact CB-O 3.02Å; S366-L377 PolarHBondContact N-O 3.15Å; S366-L377 VanDerWaalsContact N-O 3.08Å; L375-L377 HydrophobicContact CB-CD1 4.37Å; L377-V408 WeakPolarHBondContact CA-O 3.43Å; L377-V408 HydrophobicContact CD2-CG1 4.42Å; L377-V408 HydrophobicContact CG-CB 3.97Å; L377-V408 HydrophobicContact CG-CG1 4.2Å; L377-I410 HydrophobicContact CB-CD1 4.01Å; L377-I410 HydrophobicContact CB-CG1 4.36Å; L377-I410 HydrophobicContact CD2-CD1 4.31Å
378F82.7Confident67.3Low19 Ų1942.1 Ų42.18%0.08324%0.243CC..EExtended strand (participates in β ladder)trans-125.1115.6-174.4-170.2-97.9000112.9V381 R395 A400 N406 V408 I410F378-V381 HydrophobicContact CD1-CG2 3.54Å; F378-V381 HydrophobicContact CE1-CG2 4.07Å; F378-R395 HydrophobicContact CE1-CB 4.48Å; F378-A400 HydrophobicContact CD1-CB 3.81Å; F378-A400 HydrophobicContact CE1-CB 4.05Å; F378-N406 HydrophobicContact CB-CB 3.66Å; F378-N406 VanDerWaalsContact CB-CG 3.42Å; F378-N406 WeakPolarHBondContact CD2-ND2 3.25Å; F378-N406 HydrophobicContact CG-CB 4.4Å; F378-N406 WeakPolarHBondContact CG-ND2 3.31Å; F378-V408 PolarHBondContact N-O 3.49Å; F378-I410 PolarHBondContact O-N 2.79Å
379P84.1Confident69.6Low39 Ų3946.5 Ų46.525%0.25326%0.26SS..  trans-83.9174.4171.936.4-34.7000112.3I410P379-I410 HydrophobicContact CB-CB 4.28Å; P379-I410 HydrophobicContact CB-CD1 4.44Å
380G79.7Confident71.6Confident10 Ų1052.7 Ų52.710%0.10329%0.291CS..SBendtrans72.943.8-179.800000111.8W394 R395G380-W394 CarbonylContact O-C 3.53Å; G380-W394 WeakPolarHBondContact O-CA 3.44Å; G380-R395 PolarHBondContact O-N 2.8Å
381V80.7Confident73.7Confident3 Ų347.5 Ų47.52%0.01827%0.27CS..EExtended strand (participates in β ladder)trans-112.9139.9177.2-179.10000110.4F378 R395 I397 A400 A409 V411F378-V381 HydrophobicContact CD1-CG2 3.54Å; F378-V381 HydrophobicContact CE1-CG2 4.07Å; V381-R395 WeakPolarHBondContact CA-O 3.18Å; V381-I397 VanDerWaalsContact CG1-CA 3.42Å; V381-I397 HydrophobicContact CG1-CB 3.51Å; V381-I397 HydrophobicContact CG1-CD1 3.97Å; V381-I397 HydrophobicContact CG1-CG1 3.67Å; V381-A400 HydrophobicContact CG2-CB 3.77Å; V381-A409 HydrophobicContact CB-CB 4.45Å; V381-A409 HydrophobicContact CG1-CB 4.23Å; V381-A409 HydrophobicContact CG2-CB 4.24Å; V381-V411 HydrophobicContact CB-CG2 4.02Å; V381-V411 HydrophobicContact CG1-CG2 4.08Å
382H88.3Confident75.8Confident53 Ų5347.8 Ų47.825%0.24527%0.269CS..EExtended strand (participates in β ladder)trans-143.1175.8175.7-155.5-78.2000110.2K384 W394 R395 S396 I397 A414H382-K384 WeakPolarHBondContact CB-O 3.34Å; H382-K384 PolarHBondContact O-N 3.23Å; H382-W394 HydrophobicContact CB-CB 3.75Å; H382-W394 HydrophobicContact CB-CD2 4.44Å; H382-W394 HydrophobicContact CB-CG 3.82Å; H382-R395 PolarHBondContact N-O 3.17Å; H382-S396 WeakPolarHBondContact O-CA 2.92Å; H382-I397 PolarHBondContact O-N 2.9Å; H382-A414 HydrophobicContact CB-CB 4.49Å; H382-A414 WeakPolarHBondContact CD2-CB 3.37Å; H382-A414 WeakPolarHBondContact NE2-CB 3.17Å
383F82.8Confident77.5Confident56 Ų5652.8 Ų52.825%0.24629%0.285CS..SBendtrans-57.5-34.6173.2-71.3-74.6000113.2A414 A424 K427 L428 L431F383-A414 HydrophobicContact CD2-CB 4.24Å; F383-A414 HydrophobicContact CE2-CB 4.3Å; F383-A424 HydrophobicContact CZ-CB 4.33Å; F383-K427 HydrophobicContact CD1-CD 4.39Å; F383-K427 HydrophobicContact CE1-CB 4.06Å; F383-K427 HydrophobicContact CE1-CD 3.63Å; F383-K427 HydrophobicContact CE1-CG 3.79Å; F383-K427 HydrophobicContact CZ-CB 4.48Å; F383-K427 HydrophobicContact CZ-CD 4.26Å; F383-L428 HydrophobicContact CD1-CD2 3.69Å; F383-L428 HydrophobicContact CD1-CG 4.08Å; F383-L428 HydrophobicContact CD2-CD2 4.43Å; F383-L428 HydrophobicContact CE1-CD1 4.18Å; F383-L428 HydrophobicContact CE1-CD2 3.65Å; F383-L428 HydrophobicContact CE1-CG 3.48Å; F383-L428 VanDerWaalsContact CE1-CG 3.48Å; F383-L428 HydrophobicContact CE2-CD1 3.97Å; F383-L428 HydrophobicContact CE2-CD2 4.4Å; F383-L428 HydrophobicContact CE2-CG 4.17Å; F383-L428 HydrophobicContact CG-CD2 4.1Å; F383-L428 HydrophobicContact CZ-CD1 3.72Å; F383-L428 HydrophobicContact CZ-CD2 4.02Å; F383-L428 HydrophobicContact CZ-CG 3.53Å; F383-L431 HydrophobicContact CD1-CD1 4.2Å
384K77.8Confident79Confident168 Ų16853.8 Ų53.873%0.7329%0.288SS*.SBendtrans-140.4154.6-180-66.3-174.8179.4-178.30108.5H382H382-K384 WeakPolarHBondContact CB-O 3.34Å; H382-K384 PolarHBondContact O-N 3.23Å
385A69.3Low80.1Confident75 Ų7558.9 Ų58.962%0.6231%0.306SS*.  trans-61.8150.2174.200000111.5W394A385-W394 WeakPolarHBondContact CA-O 3.14Å
386G81.7Confident81.1Confident38 Ų3860.5 Ų60.539%0.39232%0.318SS..EExtended strand (participates in β ladder)trans176.2-169.9-179.700000112.6W394G386-W394 PolarHBondContact N-O 3.34Å; G386-W394 PolarHBondContact O-N 3.29Å
387S78.7Confident81.7Confident79 Ų7960 Ų6055%0.55232%0.315SS*.EExtended strand (participates in β ladder)trans-150.2160.2172.660.30000111.7Q392 W394S387-Q392 CarbonylContact C-O 3.54Å; S387-Q392 WeakPolarHBondContact CA-O 3.03Å; S387-Q392 VanDerWaalsContact CB-O 3.27Å; S387-Q392 WeakPolarHBondContact CB-O 3.37Å; S387-W394 WeakPolarHBondContact O-CZ3 3.28Å
388D80.5Confident81.8Confident22 Ų2264.5 Ų64.512%0.11834%0.336CS..  trans-95-178.516773.214.7000112.4I390 G391 Q392 W394 R413D388-I390 VanDerWaalsContact C-N 3.31Å; D388-I390 VanDerWaalsContact OD1-CG1 3.31Å; D388-I390 WeakPolarHBondContact OD1-CG1 3.39Å; D388-I390 PolarHBondContact OD1-N 3.22Å; D388-I390 WeakPolarHBondContact OD2-CG1 3.4Å; D388-G391 PolarHBondContact OD1-N 3.07Å; D388-Q392 VanDerWaalsContact CG-CB 3.47Å; D388-Q392 PolarHBondContact N-O 3.05Å; D388-Q392 WeakPolarHBondContact OD1-CB 3.16Å; D388-Q392 PolarHBondContact OD1-N 2.8Å; D388-Q392 VanDerWaalsContact OD2-CB 3.25Å; D388-Q392 WeakPolarHBondContact OD2-CB 3.21Å; D388-W394 HydrophobicContact CB-CH2 3.72Å; D388-W394 HydrophobicContact CB-CZ2 4.43Å; D388-W394 HydrophobicContact CB-CZ3 4.24Å; D388-R413 IonicContact OD2-CZ 3.18Å; D388-R413 IonicContact OD2-NH1 2.73Å; D388-R413 PolarHBondContact OD2-NH1 3.33Å; D388-R413 IonicContact OD2-NH2 2.71Å; D388-R413 PolarHBondContact OD2-NH2 3.18Å
389H78.5Confident82Confident178 Ų17864 Ų6482%0.82434%0.336SS*.THydrogen-bonded Turntrans-80.2-7.7-178.357.5-82.5000113.9
390I76.7Confident82.2Confident134 Ų13462.2 Ų62.269%0.68732%0.324SS*.THydrogen-bonded Turntrans-114.215.5-179.356.7173.3000112.5D388D388-I390 VanDerWaalsContact C-N 3.31Å; D388-I390 VanDerWaalsContact OD1-CG1 3.31Å; D388-I390 WeakPolarHBondContact OD1-CG1 3.39Å; D388-I390 PolarHBondContact OD1-N 3.22Å; D388-I390 WeakPolarHBondContact OD2-CG1 3.4Å
391G76.1Confident82.6Confident21 Ų2161.7 Ų61.722%0.21632%0.319CS..SBendtrans94.13.4169.800000115.7T342 D343 D388 R393T342-G391 CarbonylContact C-O 3.48Å; T342-G391 WeakPolarHBondContact CA-O 3.33Å; D343-G391 PolarHBondContact N-O 3.08Å; D388-G391 PolarHBondContact OD1-N 3.07Å; G391-R393 PolarHBondContact O-N 2.77Å
392Q81Confident82.9Confident37 Ų3765.6 Ų65.617%0.17334%0.335CS..BIsolated β-bridgetrans-67.9127.1169.6-178.262.748.500109.3S341 S387 D388 W394S341-Q392 PolarHBondContact OG-NE2 3.46Å; S387-Q392 CarbonylContact C-O 3.54Å; S387-Q392 WeakPolarHBondContact CA-O 3.03Å; S387-Q392 VanDerWaalsContact CB-O 3.27Å; S387-Q392 WeakPolarHBondContact CB-O 3.37Å; D388-Q392 VanDerWaalsContact CG-CB 3.47Å; D388-Q392 PolarHBondContact N-O 3.05Å; D388-Q392 WeakPolarHBondContact OD1-CB 3.16Å; D388-Q392 PolarHBondContact OD1-N 2.8Å; D388-Q392 VanDerWaalsContact OD2-CB 3.25Å; D388-Q392 WeakPolarHBondContact OD2-CB 3.21Å; Q392-W394 HydrophobicContact CG-CZ2 4.31Å
393R79.8Confident82.8Confident129 Ų12970 Ų7049%0.48736%0.356SS..EExtended strand (participates in β ladder)trans-103.9146170.7-62.8-179.8175.1166.4-1.4110.5S341 D343 G391S341-R393 WeakPolarHBondContact O-CB 3.41Å; S341-R393 PolarHBondContact O-N 3.34Å; D343-R393 VanDerWaalsContact CG-CZ 3.45Å; D343-R393 IonicContact OD1-CZ 3.21Å; D343-R393 IonicContact OD1-NE 3.96Å; D343-R393 IonicContact OD1-NH1 3.59Å; D343-R393 IonicContact OD1-NH2 2.7Å; D343-R393 PolarHBondContact OD1-NH2 2.91Å; D343-R393 IonicContact OD2-CZ 3.65Å; D343-R393 IonicContact OD2-NE 3.95Å; D343-R393 IonicContact OD2-NH2 2.82Å; D343-R393 PolarHBondContact OD2-NH2 3.33Å; G391-R393 PolarHBondContact O-N 2.77Å
394W82.6Confident82.7Confident49 Ų4969.2 Ų69.219%0.18635%0.354CS..EExtended strand (participates in β ladder)trans-117.7134.3174.6-61.5-68.4000111.1G380 H382 A385 G386 S387 D388 Q392G380-W394 CarbonylContact O-C 3.53Å; G380-W394 WeakPolarHBondContact O-CA 3.44Å; H382-W394 HydrophobicContact CB-CB 3.75Å; H382-W394 HydrophobicContact CB-CD2 4.44Å; H382-W394 HydrophobicContact CB-CG 3.82Å; A385-W394 WeakPolarHBondContact CA-O 3.14Å; G386-W394 PolarHBondContact N-O 3.34Å; G386-W394 PolarHBondContact O-N 3.29Å; S387-W394 WeakPolarHBondContact O-CZ3 3.28Å; D388-W394 HydrophobicContact CB-CH2 3.72Å; D388-W394 HydrophobicContact CB-CZ2 4.43Å; D388-W394 HydrophobicContact CB-CZ3 4.24Å; Q392-W394 HydrophobicContact CG-CZ2 4.31Å
395R85.4Confident82.9Confident112 Ų11262.3 Ų62.342%0.42333%0.331SS..EExtended strand (participates in β ladder)trans-93.1157.6158.9-77.6-158.2171.2-158.93.1110.6F378 G380 V381 H382 A400 D404F378-R395 HydrophobicContact CE1-CB 4.48Å; G380-R395 PolarHBondContact O-N 2.8Å; V381-R395 WeakPolarHBondContact CA-O 3.18Å; H382-R395 PolarHBondContact N-O 3.17Å; R395-A400 HydrophobicContact CB-CB 4.33Å; R395-D404 VanDerWaalsContact CD-OD2 3.3Å; R395-D404 WeakPolarHBondContact CD-OD2 3.28Å; R395-D404 IonicContact CZ-OD1 3.64Å; R395-D404 IonicContact CZ-OD2 3.47Å; R395-D404 IonicContact NE-OD2 3.72Å; R395-D404 IonicContact NH1-OD1 2.63Å; R395-D404 PolarHBondContact NH1-OD1 2.83Å; R395-D404 IonicContact NH1-OD2 2.69Å; R395-D404 PolarHBondContact NH1-OD2 2.8Å
396S90.1Very high83.6Confident34 Ų3458.8 Ų58.824%0.23830%0.302CS..EExtended strand (participates in β ladder)trans-65.8147.4166.767.30000109.6H382 E398 A399 A400H382-S396 WeakPolarHBondContact O-CA 2.92Å; S396-E398 PolarHBondContact O-N 2.98Å; S396-A399 PolarHBondContact O-N 3.39Å; S396-A399 VanDerWaalsContact OG-CB 3.28Å; S396-A399 WeakPolarHBondContact OG-CB 3.3Å; S396-A399 PolarHBondContact OG-N 3.18Å; S396-A400 WeakPolarHBondContact O-CB 3.31Å; S396-A400 PolarHBondContact O-N 3.4Å
397I91.1Very high83.8Confident3 Ų357 Ų572%0.01528%0.284CS..Hα-helixtrans-60.9-34.6178.2-163.3152.1000112.8L230 V381 H382 I401 A409 V411 L428 L431 A432L230-I397 HydrophobicContact CD1-CD1 4.29Å; V381-I397 VanDerWaalsContact CG1-CA 3.42Å; V381-I397 HydrophobicContact CG1-CB 3.51Å; V381-I397 HydrophobicContact CG1-CD1 3.97Å; V381-I397 HydrophobicContact CG1-CG1 3.67Å; H382-I397 PolarHBondContact O-N 2.9Å; I397-I401 HydrophobicContact CG1-CG1 4.44Å; I397-I401 WeakPolarHBondContact O-CB 3.41Å; I397-I401 WeakPolarHBondContact O-CG1 3.4Å; I397-I401 PolarHBondContact O-N 3.07Å; I397-A409 HydrophobicContact CD1-CB 3.98Å; I397-A409 HydrophobicContact CG1-CB 4.06Å; I397-V411 HydrophobicContact CD1-CG2 4.31Å; I397-L428 HydrophobicContact CB-CD2 4.46Å; I397-L428 HydrophobicContact CD1-CB 4.11Å; I397-L428 HydrophobicContact CD1-CD2 3.72Å; I397-L428 HydrophobicContact CG2-CD2 4.37Å; I397-L431 HydrophobicContact CG2-CB 3.6Å; I397-L431 HydrophobicContact CG2-CD1 4.07Å; I397-L431 HydrophobicContact CG2-CG 4.46Å; I397-A432 HydrophobicContact CD1-CB 3.73Å; I397-A432 HydrophobicContact CG1-CB 3.92Å
398E89.9Confident84.4Confident96 Ų9653.3 Ų53.345%0.44926%0.257SS..Hα-helixtrans-66.7-45.9176.8-170.3175.7-179.600111.2S396 I401 K402 A435S396-E398 PolarHBondContact O-N 2.98Å; E398-I401 CarbonylContact O-C 3.5Å; E398-I401 PolarHBondContact O-N 3.12Å; E398-K402 HydrophobicContact CG-CB 4.34Å; E398-K402 HydrophobicContact CG-CD 4.15Å; E398-K402 WeakPolarHBondContact O-CA 3.24Å; E398-K402 WeakPolarHBondContact O-CB 3.44Å; E398-K402 PolarHBondContact O-N 3.33Å; E398-K402 IonicContact OE1-NZ 3.25Å; E398-K402 PolarHBondContact OE1-NZ 2.9Å; E398-A435 HydrophobicContact CG-CB 4.16Å
399A87.7Confident85.1Confident9 Ų952.2 Ų52.27%0.07425%0.252CS..Iπ-helixtrans-65.5-47.417800000111.4S396 I401 E403 D404S396-A399 PolarHBondContact O-N 3.39Å; S396-A399 VanDerWaalsContact OG-CB 3.28Å; S396-A399 WeakPolarHBondContact OG-CB 3.3Å; S396-A399 PolarHBondContact OG-N 3.18Å; A399-I401 VanDerWaalsContact C-N 3.25Å; A399-I401 PolarHBondContact O-N 2.93Å; A399-E403 HydrophobicContact CB-CG 4.46Å; A399-E403 WeakPolarHBondContact O-CA 3.38Å; A399-E403 WeakPolarHBondContact O-CB 3.23Å; A399-E403 PolarHBondContact O-N 3.45Å; A399-D404 PolarHBondContact O-N 2.9Å
400A87Confident85.8Confident0 Ų044.5 Ų44.50%022%0.216CC..Iπ-helixtrans-58.4-37.4-179.800000112.6F378 V381 R395 S396 D404 N406F378-A400 HydrophobicContact CD1-CB 3.81Å; F378-A400 HydrophobicContact CE1-CB 4.05Å; V381-A400 HydrophobicContact CG2-CB 3.77Å; R395-A400 HydrophobicContact CB-CB 4.33Å; S396-A400 WeakPolarHBondContact O-CB 3.31Å; S396-A400 PolarHBondContact O-N 3.4Å; A400-D404 WeakPolarHBondContact CA-OD2 3.36Å; A400-D404 WeakPolarHBondContact O-CB 3.39Å; A400-N406 VanDerWaalsContact O-CB 3.3Å; A400-N406 WeakPolarHBondContact O-CB 3.45Å; A400-N406 PolarHBondContact O-N 3.32Å; A400-N406 PolarHBondContact O-ND2 2.95Å
401I89Confident86.6Confident0 Ų038.1 Ų38.10%018%0.184CC..Iπ-helixtrans-84.1-73.7173.6-58.9-62.3000108.6I397 E398 A399 E403 G405 N406 A409 A432 A435 F436 R439I397-I401 HydrophobicContact CG1-CG1 4.44Å; I397-I401 WeakPolarHBondContact O-CB 3.41Å; I397-I401 WeakPolarHBondContact O-CG1 3.4Å; I397-I401 PolarHBondContact O-N 3.07Å; E398-I401 CarbonylContact O-C 3.5Å; E398-I401 PolarHBondContact O-N 3.12Å; A399-I401 VanDerWaalsContact C-N 3.25Å; A399-I401 PolarHBondContact O-N 2.93Å; I401-E403 PolarHBondContact O-N 3.33Å; I401-G405 PolarHBondContact O-N 3.3Å; I401-N406 WeakPolarHBondContact CD1-O 3.07Å; I401-A409 HydrophobicContact CD1-CB 4Å; I401-A409 HydrophobicContact CG1-CB 4.43Å; I401-A432 HydrophobicContact CG1-CB 4.48Å; I401-A435 HydrophobicContact CB-CB 3.81Å; I401-A435 HydrophobicContact CG2-CB 3.82Å; I401-F436 HydrophobicContact CG2-CB 3.75Å; I401-F436 HydrophobicContact CG2-CD2 4.4Å; I401-R439 PolarHBondContact O-NE 3.05Å; I401-R439 PolarHBondContact O-NH2 3.35Å
402K87.1Confident87.5Confident84 Ų8437.8 Ų37.837%0.36518%0.18SC..Iπ-helixtrans-60.6-45.7-166-168.1178.4-178.8172.90114.7E398 A435 S438 R439E398-K402 HydrophobicContact CG-CB 4.34Å; E398-K402 HydrophobicContact CG-CD 4.15Å; E398-K402 WeakPolarHBondContact O-CA 3.24Å; E398-K402 WeakPolarHBondContact O-CB 3.44Å; E398-K402 PolarHBondContact O-N 3.33Å; E398-K402 IonicContact OE1-NZ 3.25Å; E398-K402 PolarHBondContact OE1-NZ 2.9Å; K402-A435 HydrophobicContact CB-CB 4.24Å; K402-S438 WeakPolarHBondContact CD-OG 3.5Å; K402-S438 WeakPolarHBondContact CE-OG 3.35Å; K402-R439 HydrophobicContact CG-CG 4.44Å
403E85.6Confident88Confident145 Ų14540.3 Ų40.368%0.67819%0.188SC*.Iπ-helixtrans-83.9-44.9-174.2-60.2171.4-164.100111.4A399 I401A399-E403 HydrophobicContact CB-CG 4.46Å; A399-E403 WeakPolarHBondContact O-CA 3.38Å; A399-E403 WeakPolarHBondContact O-CB 3.23Å; A399-E403 PolarHBondContact O-N 3.45Å; I401-E403 PolarHBondContact O-N 3.33Å
404D81.7Confident88.6Confident40 Ų4034.5 Ų34.521%0.21417%0.167CC..THydrogen-bonded Turntrans-85.5-12.2-173.8-62.4-33.1000114.1R395 A399 A400 N406R395-D404 VanDerWaalsContact CD-OD2 3.3Å; R395-D404 WeakPolarHBondContact CD-OD2 3.28Å; R395-D404 IonicContact CZ-OD1 3.64Å; R395-D404 IonicContact CZ-OD2 3.47Å; R395-D404 IonicContact NE-OD2 3.72Å; R395-D404 IonicContact NH1-OD1 2.63Å; R395-D404 PolarHBondContact NH1-OD1 2.83Å; R395-D404 IonicContact NH1-OD2 2.69Å; R395-D404 PolarHBondContact NH1-OD2 2.8Å; A399-D404 PolarHBondContact O-N 2.9Å; A400-D404 WeakPolarHBondContact CA-OD2 3.36Å; A400-D404 WeakPolarHBondContact O-CB 3.39Å; D404-N406 VanDerWaalsContact CB-ND2 3.32Å; D404-N406 WeakPolarHBondContact CB-ND2 3.34Å; D404-N406 PolarHBondContact O-N 3.3Å
405G80.5Confident89.2Confident24 Ų2432.1 Ų32.125%0.24716%0.159CC..  trans81.19.7176.500000115.4I401 R439I401-G405 PolarHBondContact O-N 3.3Å; G405-R439 VanDerWaalsContact CA-NH2 3.3Å; G405-R439 PolarHBondContact O-NH1 3.39Å; G405-R439 VanDerWaalsContact O-NH1 3.11Å; G405-R439 PolarHBondContact O-NH2 3.26Å
406N84.6Confident89.5Confident0 Ų028 Ų280%015%0.146CC..  trans-74.1133.8179.9-58.8-67.6000114.9F378 A400 I401 D404 R439F378-N406 HydrophobicContact CB-CB 3.66Å; F378-N406 VanDerWaalsContact CB-CG 3.42Å; F378-N406 WeakPolarHBondContact CD2-ND2 3.25Å; F378-N406 HydrophobicContact CG-CB 4.4Å; F378-N406 WeakPolarHBondContact CG-ND2 3.31Å; A400-N406 VanDerWaalsContact O-CB 3.3Å; A400-N406 WeakPolarHBondContact O-CB 3.45Å; A400-N406 PolarHBondContact O-N 3.32Å; A400-N406 PolarHBondContact O-ND2 2.95Å; I401-N406 WeakPolarHBondContact CD1-O 3.07Å; D404-N406 VanDerWaalsContact CB-ND2 3.32Å; D404-N406 WeakPolarHBondContact CB-ND2 3.34Å; D404-N406 PolarHBondContact O-N 3.3Å; N406-R439 PolarHBondContact O-NH2 3.18Å
407D86.9Confident89.7Confident2 Ų231.9 Ų31.91%0.01116%0.164CC..SBendtrans-76.9-42.3-171.9-56.7-59.2000113.3R207 N229 L375 L376 R439R207-D407 IonicContact CZ-OD1 3.95Å; R207-D407 IonicContact CZ-OD2 3.54Å; R207-D407 IonicContact NH1-OD1 2.63Å; R207-D407 PolarHBondContact NH1-OD1 3.13Å; R207-D407 IonicContact NH1-OD2 3.69Å; R207-D407 PolarHBondContact NH1-OD2 3.1Å; R207-D407 IonicContact NH2-OD1 2.76Å; R207-D407 IonicContact NH2-OD2 3.76Å; R207-D407 PolarHBondContact NH2-OD2 3.41Å; N229-D407 WeakPolarHBondContact CB-O 3.45Å; N229-D407 PolarHBondContact ND2-O 3.29Å; L375-D407 HydrophobicContact CD2-CB 4.47Å; L376-D407 PolarHBondContact N-OD2 2.79Å; L376-D407 WeakPolarHBondContact O-CA 3.28Å; L376-D407 WeakPolarHBondContact O-CB 3.41Å; L376-D407 PolarHBondContact O-N 3.47Å; D407-R439 IonicContact OD1-NH1 2.68Å
408V91.7Very high89.8Confident0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-125127.6-175.1172.70000109.9I223 N229 C231 L376 L377 F378I223-V408 HydrophobicContact CD1-CG2 3.58Å; I223-V408 HydrophobicContact CG1-CG2 4.49Å; N229-V408 HydrophobicContact CB-CG2 4.49Å; N229-V408 VanDerWaalsContact O-CA 3.29Å; N229-V408 WeakPolarHBondContact O-CA 3.37Å; C231-V408 HydrophobicContact CB-CG1 3.67Å; L376-V408 PolarHBondContact O-N 3.4Å; L377-V408 WeakPolarHBondContact CA-O 3.43Å; L377-V408 HydrophobicContact CD2-CG1 4.42Å; L377-V408 HydrophobicContact CG-CB 3.97Å; L377-V408 HydrophobicContact CG-CG1 4.2Å; F378-V408 PolarHBondContact N-O 3.49Å
409A93.2Very high89.9Confident0 Ų036.4 Ų36.40%020%0.199CC..EExtended strand (participates in β ladder)trans-87.7124.5174.200000110.4N229 C231 V381 I397 I401 V411N229-A409 PolarHBondContact O-N 2.74Å; C231-A409 PolarHBondContact N-O 2.91Å; V381-A409 HydrophobicContact CB-CB 4.45Å; V381-A409 HydrophobicContact CG1-CB 4.23Å; V381-A409 HydrophobicContact CG2-CB 4.24Å; I397-A409 HydrophobicContact CD1-CB 3.98Å; I397-A409 HydrophobicContact CG1-CB 4.06Å; I401-A409 HydrophobicContact CD1-CB 4Å; I401-A409 HydrophobicContact CG1-CB 4.43Å; A409-V411 HydrophobicContact CB-CG2 4.4Å
410I93.7Very high90.2Very high15 Ų1539.4 Ų39.48%0.07721%0.213CC..EExtended strand (participates in β ladder)trans-93.2117171.3-55.7174.8000108.6C231 A233 K254 L377 F378 P379C231-I410 HydrophobicContact CB-CB 4.32Å; C231-I410 HydrophobicContact CB-CG1 3.84Å; C231-I410 WeakPolarHBondContact O-CA 3.47Å; A233-I410 HydrophobicContact CB-CG2 4.05Å; K254-I410 HydrophobicContact CD-CG2 3.93Å; L377-I410 HydrophobicContact CB-CD1 4.01Å; L377-I410 HydrophobicContact CB-CG1 4.36Å; L377-I410 HydrophobicContact CD2-CD1 4.31Å; F378-I410 PolarHBondContact O-N 2.79Å; P379-I410 HydrophobicContact CB-CB 4.28Å; P379-I410 HydrophobicContact CB-CD1 4.44Å
411V94.5Very high90.6Very high1 Ų141 Ų411%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-125124.5-177-172.20000111L230 C231 A233 V381 I397 A409 A414 I415 L428L230-V411 HydrophobicContact CD1-CB 4.23Å; L230-V411 HydrophobicContact CD1-CG2 3.64Å; C231-V411 PolarHBondContact O-N 2.91Å; A233-V411 PolarHBondContact N-O 3.45Å; V381-V411 HydrophobicContact CB-CG2 4.02Å; V381-V411 HydrophobicContact CG1-CG2 4.08Å; I397-V411 HydrophobicContact CD1-CG2 4.31Å; A409-V411 HydrophobicContact CB-CG2 4.4Å; V411-A414 HydrophobicContact CG1-CB 3.55Å; V411-I415 HydrophobicContact CB-CD1 3.93Å; V411-I415 HydrophobicContact CB-CG1 4.46Å; V411-I415 HydrophobicContact CG1-CD1 4Å; V411-I415 HydrophobicContact CG1-CG1 3.96Å; V411-L428 HydrophobicContact CG1-CD1 3.84Å
412G93.5Very high90.9Very high14 Ų1446.6 Ų46.614%0.14425%0.251CS..SBendtrans-104.9-100.7175.100000111.9A414 I415 T416G412-A414 PolarHBondContact O-N 3.31Å; G412-I415 WeakPolarHBondContact O-CA 3.17Å; G412-I415 PolarHBondContact O-N 2.99Å; G412-T416 PolarHBondContact O-N 2.94Å; G412-T416 PolarHBondContact O-OG1 3.06Å
413R91.9Very high91.3Very high90 Ų9048.7 Ų48.734%0.3426%0.262SS..Hα-helixtrans-48.9-31.3-172.7-72.8177.4-80.9175.5-3.9116.2D388 I415 T416 N417D388-R413 IonicContact OD2-CZ 3.18Å; D388-R413 IonicContact OD2-NH1 2.73Å; D388-R413 PolarHBondContact OD2-NH1 3.33Å; D388-R413 IonicContact OD2-NH2 2.71Å; D388-R413 PolarHBondContact OD2-NH2 3.18Å; R413-I415 PolarHBondContact O-N 3.24Å; R413-T416 VanDerWaalsContact CA-OG1 3.32Å; R413-T416 WeakPolarHBondContact CA-OG1 3.34Å; R413-T416 PolarHBondContact N-OG1 2.88Å; R413-N417 VanDerWaalsContact O-CB 3.31Å; R413-N417 WeakPolarHBondContact O-CB 3.39Å; R413-N417 PolarHBondContact O-N 2.86Å; R413-N417 VanDerWaalsContact O-N 3.08Å
414A92.3Very high91.8Very high6 Ų642 Ų425%0.0523%0.231CC..Hα-helixtrans-63.5-23.5175.700000113.4H382 F383 V411 G412 L428H382-A414 HydrophobicContact CB-CB 4.49Å; H382-A414 WeakPolarHBondContact CD2-CB 3.37Å; H382-A414 WeakPolarHBondContact NE2-CB 3.17Å; F383-A414 HydrophobicContact CD2-CB 4.24Å; F383-A414 HydrophobicContact CE2-CB 4.3Å; V411-A414 HydrophobicContact CG1-CB 3.55Å; G412-A414 PolarHBondContact O-N 3.31Å; A414-L428 HydrophobicContact CB-CD1 4.16Å
415I95.1Very high92.5Very high0 Ų040.6 Ų40.60%022%0.224CC..Hα-helixtrans-102-54.1173.9-63.5171.1000109L230 I232 V411 G412 R413 N417 D418 M421 T425 L428L230-I415 HydrophobicContact CD2-CD1 4.08Å; I232-I415 HydrophobicContact CD1-CG2 3.9Å; I232-I415 HydrophobicContact CG1-CD1 4.48Å; V411-I415 HydrophobicContact CB-CD1 3.93Å; V411-I415 HydrophobicContact CB-CG1 4.46Å; V411-I415 HydrophobicContact CG1-CD1 4Å; V411-I415 HydrophobicContact CG1-CG1 3.96Å; G412-I415 WeakPolarHBondContact O-CA 3.17Å; G412-I415 PolarHBondContact O-N 2.99Å; R413-I415 PolarHBondContact O-N 3.24Å; I415-N417 VanDerWaalsContact C-N 3.3Å; I415-N417 PolarHBondContact O-N 3.3Å; I415-D418 WeakPolarHBondContact O-CB 3.04Å; I415-D418 PolarHBondContact O-N 3.48Å; I415-D418 VanDerWaalsContact O-N 3.08Å; I415-M421 HydrophobicContact CG2-CB 4.35Å; I415-M421 HydrophobicContact CG2-CE 3.87Å; I415-M421 WeakPolarHBondContact O-CG 3.48Å; I415-T425 WeakPolarHBondContact CG2-OG1 3.3Å; I415-L428 HydrophobicContact CD1-CD1 3.9Å; I415-L428 HydrophobicContact CG1-CD1 3.4Å
416T93.1Very high93.2Very high25 Ų2542.3 Ų42.315%0.15323%0.226CC..Hα-helixtrans-69.6-23.3-167.560.50000114.4A233 F236 G412 R413 M421A233-T416 WeakPolarHBondContact O-CG2 3.28Å; F236-T416 HydrophobicContact CE1-CG2 4.29Å; F236-T416 HydrophobicContact CE2-CG2 4.07Å; F236-T416 HydrophobicContact CZ-CG2 3.59Å; G412-T416 PolarHBondContact O-N 2.94Å; G412-T416 PolarHBondContact O-OG1 3.06Å; R413-T416 VanDerWaalsContact CA-OG1 3.32Å; R413-T416 WeakPolarHBondContact CA-OG1 3.34Å; R413-T416 PolarHBondContact N-OG1 2.88Å; T416-M421 HydrophobicContact CG2-CE 4.28Å
417N92.7Very high93.8Very high115 Ų11547.9 Ų47.962%0.61525%0.25SC*.THydrogen-bonded Turntrans-97.9-1.6176-62.27.9000112.4R413 I415R413-N417 VanDerWaalsContact O-CB 3.31Å; R413-N417 WeakPolarHBondContact O-CB 3.39Å; R413-N417 PolarHBondContact O-N 2.86Å; R413-N417 VanDerWaalsContact O-N 3.08Å; I415-N417 VanDerWaalsContact C-N 3.3Å; I415-N417 PolarHBondContact O-N 3.3Å
418D93.5Very high94.2Very high57 Ų5747.8 Ų47.831%0.30525%0.249SC..SBendtrans-78.4128.5177.2-163.3-66.8000109.6I415 N420 M421 A424I415-D418 WeakPolarHBondContact O-CB 3.04Å; I415-D418 PolarHBondContact O-N 3.48Å; I415-D418 VanDerWaalsContact O-N 3.08Å; D418-N420 PolarHBondContact O-N 2.68Å; D418-N420 VanDerWaalsContact O-N 3.1Å; D418-N420 WeakPolarHBondContact OD1-CA 3.25Å; D418-N420 PolarHBondContact OD1-N 3.4Å; D418-M421 PolarHBondContact O-N 2.72Å; D418-A424 HydrophobicContact CB-CB 3.72Å
419P92.1Very high94.5Very high138 Ų13850 Ų5090%0.89626%0.258SS*.THydrogen-bonded Turntrans-55.3-27.3176.5-25.534.3000113.5
420N94.7Very high94.6Very high71 Ų7156.1 Ų56.138%0.3828%0.281SS..THydrogen-bonded Turntrans-11773.3173.9-168.8-7.2000110.9D418 L422 E423 A424D418-N420 PolarHBondContact O-N 2.68Å; D418-N420 VanDerWaalsContact O-N 3.1Å; D418-N420 WeakPolarHBondContact OD1-CA 3.25Å; D418-N420 PolarHBondContact OD1-N 3.4Å; N420-L422 PolarHBondContact O-N 2.82Å; N420-L422 VanDerWaalsContact O-N 3.08Å; N420-E423 HydrophobicContact CB-CB 4.13Å; N420-E423 VanDerWaalsContact CG-CB 3.44Å; N420-E423 VanDerWaalsContact ND2-CB 3.32Å; N420-E423 WeakPolarHBondContact ND2-CB 3.48Å; N420-E423 PolarHBondContact ND2-OE2 3.36Å; N420-E423 PolarHBondContact O-N 3.1Å; N420-E423 VanDerWaalsContact O-N 3.08Å; N420-E423 PolarHBondContact OD1-N 3.2Å; N420-A424 PolarHBondContact O-N 2.96Å
421M95Very high94.7Very high33 Ų3358 Ų5816%0.16329%0.291CS..Hα-helixtrans-49.5-38178.8-68.5-171.263.600113.6I232 F236 K245 I415 T416 D418 T425I232-M421 HydrophobicContact CD1-CE 4.11Å; F236-M421 HydrophobicContact CE2-CE 4.1Å; F236-M421 HydrophobicContact CZ-CE 3.7Å; F236-M421 HydrophobicContact CZ-SD 4Å; K245-M421 HydrophobicContact CB-CE 3.97Å; K245-M421 HydrophobicContact CB-SD 4.12Å; K245-M421 HydrophobicContact CD-CE 4.31Å; K245-M421 HydrophobicContact CD-SD 3.69Å; K245-M421 HydrophobicContact CG-CE 4.43Å; K245-M421 HydrophobicContact CG-SD 3.92Å; I415-M421 HydrophobicContact CG2-CB 4.35Å; I415-M421 HydrophobicContact CG2-CE 3.87Å; I415-M421 WeakPolarHBondContact O-CG 3.48Å; T416-M421 HydrophobicContact CG2-CE 4.28Å; D418-M421 PolarHBondContact O-N 2.72Å; M421-T425 VanDerWaalsContact O-CB 3.24Å; M421-T425 WeakPolarHBondContact O-CB 3.36Å; M421-T425 PolarHBondContact O-N 3.22Å; M421-T425 PolarHBondContact O-OG1 2.94Å
422L94.7Very high94.7Very high119 Ų11958 Ų5862%0.62329%0.291SS*.Hα-helixtrans-65.9-46-178.1179.362.7000111.2L249 N420 T425 Q426L249-L422 HydrophobicContact CD1-CD1 3.76Å; N420-L422 PolarHBondContact O-N 2.82Å; N420-L422 VanDerWaalsContact O-N 3.08Å; L422-T425 PolarHBondContact O-N 3.49Å; L422-Q426 WeakPolarHBondContact O-CB 3.43Å; L422-Q426 PolarHBondContact O-N 3.36Å
423E95.8Very high94.8Very high127 Ų12759.8 Ų59.859%0.59329%0.293SS*.Hα-helixtrans-66.2-44.9177.5-175.8176.7-177.800111.4N420 T425 Q426 K427N420-E423 HydrophobicContact CB-CB 4.13Å; N420-E423 VanDerWaalsContact CG-CB 3.44Å; N420-E423 VanDerWaalsContact ND2-CB 3.32Å; N420-E423 WeakPolarHBondContact ND2-CB 3.48Å; N420-E423 PolarHBondContact ND2-OE2 3.36Å; N420-E423 PolarHBondContact O-N 3.1Å; N420-E423 VanDerWaalsContact O-N 3.08Å; N420-E423 PolarHBondContact OD1-N 3.2Å; E423-T425 VanDerWaalsContact C-N 3.34Å; E423-T425 PolarHBondContact O-N 3.31Å; E423-Q426 PolarHBondContact O-N 3.03Å; E423-K427 WeakPolarHBondContact O-CB 3.43Å; E423-K427 PolarHBondContact O-N 3.19Å
424A95.7Very high94.9Very high4 Ų460.5 Ų60.53%0.03330%0.3CS..Hα-helixtrans-58.4-46175.500000111.7F383 D418 N420 K427 L428F383-A424 HydrophobicContact CZ-CB 4.33Å; D418-A424 HydrophobicContact CB-CB 3.72Å; N420-A424 PolarHBondContact O-N 2.96Å; A424-K427 PolarHBondContact O-N 2.95Å; A424-L428 PolarHBondContact O-N 3.34Å
425T96.5Very high94.9Very high12 Ų1260.3 Ų60.37%0.07430%0.299CS..Hα-helixtrans-61.3-46.5176.5-56.90000111.2L230 L249 V250 I415 M421 L422 E423 K427 L428 R429L230-T425 HydrophobicContact CD2-CG2 3.83Å; L249-T425 HydrophobicContact CB-CG2 3.69Å; L249-T425 HydrophobicContact CD1-CG2 4.06Å; V250-T425 HydrophobicContact CG1-CG2 4.08Å; I415-T425 WeakPolarHBondContact CG2-OG1 3.3Å; M421-T425 VanDerWaalsContact O-CB 3.24Å; M421-T425 WeakPolarHBondContact O-CB 3.36Å; M421-T425 PolarHBondContact O-N 3.22Å; M421-T425 PolarHBondContact O-OG1 2.94Å; L422-T425 PolarHBondContact O-N 3.49Å; E423-T425 VanDerWaalsContact C-N 3.34Å; E423-T425 PolarHBondContact O-N 3.31Å; T425-K427 VanDerWaalsContact C-N 3.31Å; T425-K427 PolarHBondContact O-N 3Å; T425-L428 PolarHBondContact O-N 2.63Å; T425-R429 VanDerWaalsContact O-CB 3.24Å; T425-R429 WeakPolarHBondContact O-CB 3.42Å; T425-R429 PolarHBondContact O-N 2.93Å
426Q96.8Very high94.6Very high60 Ų6060.8 Ų60.828%0.2830%0.301SS..Hα-helixtrans-63-38.9-179.9-177.766.2-10.400111.9L249 L422 E423 R430L249-Q426 HydrophobicContact CD1-CB 3.87Å; L249-Q426 VanDerWaalsContact CD2-OE1 3.23Å; L422-Q426 WeakPolarHBondContact O-CB 3.43Å; L422-Q426 PolarHBondContact O-N 3.36Å; E423-Q426 PolarHBondContact O-N 3.03Å; Q426-R430 WeakPolarHBondContact O-CB 3.47Å; Q426-R430 PolarHBondContact O-N 3.42Å; Q426-R430 VanDerWaalsContact O-N 3.12Å
427K96.5Very high94.4Very high116 Ų11664.2 Ų64.250%0.50432%0.322SS..Hα-helixtrans-67.3-48.6177.7-170176.1176.5178.80111.4F383 E423 A424 T425 R430 L431F383-K427 HydrophobicContact CD1-CD 4.39Å; F383-K427 HydrophobicContact CE1-CB 4.06Å; F383-K427 HydrophobicContact CE1-CD 3.63Å; F383-K427 HydrophobicContact CE1-CG 3.79Å; F383-K427 HydrophobicContact CZ-CB 4.48Å; F383-K427 HydrophobicContact CZ-CD 4.26Å; E423-K427 WeakPolarHBondContact O-CB 3.43Å; E423-K427 PolarHBondContact O-N 3.19Å; A424-K427 PolarHBondContact O-N 2.95Å; T425-K427 VanDerWaalsContact C-N 3.31Å; T425-K427 PolarHBondContact O-N 3Å; K427-R430 PolarHBondContact O-N 2.96Å; K427-L431 HydrophobicContact CG-CD1 4.37Å; K427-L431 WeakPolarHBondContact O-CG 3.31Å; K427-L431 PolarHBondContact O-N 2.81Å
428L96Very high94.1Very high0 Ų061.1 Ų61.10%031%0.309CS..Hα-helixtrans-64.7-39.7178-74.7160.9000112.2L230 F383 I397 V411 A414 I415 A424 T425 R430 L431 A432L230-L428 HydrophobicContact CD1-CB 4.25Å; L230-L428 HydrophobicContact CD2-CB 4.19Å; F383-L428 HydrophobicContact CD1-CD2 3.69Å; F383-L428 HydrophobicContact CD1-CG 4.08Å; F383-L428 HydrophobicContact CD2-CD2 4.43Å; F383-L428 HydrophobicContact CE1-CD1 4.18Å; F383-L428 HydrophobicContact CE1-CD2 3.65Å; F383-L428 HydrophobicContact CE1-CG 3.48Å; F383-L428 VanDerWaalsContact CE1-CG 3.48Å; F383-L428 HydrophobicContact CE2-CD1 3.97Å; F383-L428 HydrophobicContact CE2-CD2 4.4Å; F383-L428 HydrophobicContact CE2-CG 4.17Å; F383-L428 HydrophobicContact CG-CD2 4.1Å; F383-L428 HydrophobicContact CZ-CD1 3.72Å; F383-L428 HydrophobicContact CZ-CD2 4.02Å; F383-L428 HydrophobicContact CZ-CG 3.53Å; I397-L428 HydrophobicContact CB-CD2 4.46Å; I397-L428 HydrophobicContact CD1-CB 4.11Å; I397-L428 HydrophobicContact CD1-CD2 3.72Å; I397-L428 HydrophobicContact CG2-CD2 4.37Å; V411-L428 HydrophobicContact CG1-CD1 3.84Å; A414-L428 HydrophobicContact CB-CD1 4.16Å; I415-L428 HydrophobicContact CD1-CD1 3.9Å; I415-L428 HydrophobicContact CG1-CD1 3.4Å; A424-L428 PolarHBondContact O-N 3.34Å; T425-L428 PolarHBondContact O-N 2.63Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.92Å; L428-L431 PolarHBondContact O-N 3.05Å; L428-A432 WeakPolarHBondContact O-CB 3.49Å; L428-A432 PolarHBondContact O-N 3.38Å
429R96.3Very high93.5Very high46 Ų4659.6 Ų59.617%0.17430%0.299CS..Hα-helixtrans-56.9-47.7174.5-177.9-171.577.193.8-1.7111K226 K227 L230 L249 T425 A432 W433K226-R429 PolarHBondContact O-NH1 3.1Å; K227-R429 PolarHBondContact O-NH1 3.06Å; L230-R429 HydrophobicContact CD2-CB 4.07Å; L249-R429 WeakPolarHBondContact O-CD 3.42Å; T425-R429 VanDerWaalsContact O-CB 3.24Å; T425-R429 WeakPolarHBondContact O-CB 3.42Å; T425-R429 PolarHBondContact O-N 2.93Å; R429-A432 PolarHBondContact O-N 3.26Å; R429-W433 VanDerWaalsContact O-CB 3.32Å; R429-W433 WeakPolarHBondContact O-CB 3.31Å; R429-W433 PolarHBondContact O-N 3.5Å
430R96.4Very high91.6Very high129 Ų12962.2 Ų62.249%0.48730%0.296SS..Hα-helixtrans-61.3-49.5179.3-172.1-173.7-53148.55.8111Q426 K427 L428 A432 W433 E434Q426-R430 WeakPolarHBondContact O-CB 3.47Å; Q426-R430 PolarHBondContact O-N 3.42Å; Q426-R430 VanDerWaalsContact O-N 3.12Å; K427-R430 PolarHBondContact O-N 2.96Å; L428-R430 VanDerWaalsContact C-N 3.32Å; L428-R430 PolarHBondContact O-N 2.92Å; R430-A432 PolarHBondContact O-N 2.94Å; R430-W433 PolarHBondContact O-N 3.25Å; R430-E434 WeakPolarHBondContact CD-OE1 3.39Å; R430-E434 HydrophobicContact CG-CG 4.33Å; R430-E434 WeakPolarHBondContact CG-OE1 3.45Å; R430-E434 WeakPolarHBondContact O-CB 3.15Å; R430-E434 WeakPolarHBondContact O-CG 3.35Å; R430-E434 PolarHBondContact O-N 2.8Å
431L95.7Very high89.4Confident56 Ų5662.9 Ų62.929%0.29331%0.307SS..Hα-helixtrans-61.3-44179.4-69.3171.3000112.3F383 I397 K427 L428 W433 A435F383-L431 HydrophobicContact CD1-CD1 4.2Å; I397-L431 HydrophobicContact CG2-CB 3.6Å; I397-L431 HydrophobicContact CG2-CD1 4.07Å; I397-L431 HydrophobicContact CG2-CG 4.46Å; K427-L431 HydrophobicContact CG-CD1 4.37Å; K427-L431 WeakPolarHBondContact O-CG 3.31Å; K427-L431 PolarHBondContact O-N 2.81Å; L428-L431 PolarHBondContact O-N 3.05Å; L431-W433 VanDerWaalsContact C-N 3.34Å; L431-W433 PolarHBondContact O-N 3.4Å; L431-A435 WeakPolarHBondContact O-CB 3.46Å; L431-A435 PolarHBondContact O-N 3.36Å
432A94.7Very high89.1Confident0 Ų064.4 Ų64.40%031%0.314CS..Hα-helixtrans-62.2-42.8177.400000111.9N229 I397 I401 L428 R429 R430 F436N229-A432 PolarHBondContact ND2-O 2.9Å; N229-A432 VanDerWaalsContact OD1-CB 3.25Å; N229-A432 WeakPolarHBondContact OD1-CB 3.2Å; N229-A432 PolarHBondContact OD1-O 3.26Å; I397-A432 HydrophobicContact CD1-CB 3.73Å; I397-A432 HydrophobicContact CG1-CB 3.92Å; I401-A432 HydrophobicContact CG1-CB 4.48Å; L428-A432 WeakPolarHBondContact O-CB 3.49Å; L428-A432 PolarHBondContact O-N 3.38Å; R429-A432 PolarHBondContact O-N 3.26Å; R430-A432 PolarHBondContact O-N 2.94Å; A432-F436 VanDerWaalsContact O-CB 3.28Å; A432-F436 WeakPolarHBondContact O-CB 3.42Å; A432-F436 PolarHBondContact O-N 3.47Å
433W94.4Very high88.8Confident52 Ų5261.5 Ų61.520%0.19730%0.298CS..Hα-helixtrans-71.3-43.3-178.7-174-106.8000112I223 K227 N229 R429 R430 L431 F436 V437I223-W433 HydrophobicContact CG2-CE3 4.45Å; I223-W433 HydrophobicContact CG2-CH2 4.36Å; I223-W433 HydrophobicContact CG2-CZ3 3.59Å; K227-W433 HydrophobicContact CB-CD2 3.94Å; K227-W433 HydrophobicContact CB-CG 4.22Å; K227-W433 HydrophobicContact CB-CZ2 3.98Å; K227-W433 HydrophobicContact CG-CZ2 3.91Å; N229-W433 WeakPolarHBondContact OD1-CA 3.41Å; N229-W433 PolarHBondContact OD1-N 3.47Å; N229-W433 VanDerWaalsContact OD1-N 3.16Å; R429-W433 VanDerWaalsContact O-CB 3.32Å; R429-W433 WeakPolarHBondContact O-CB 3.31Å; R429-W433 PolarHBondContact O-N 3.5Å; R430-W433 PolarHBondContact O-N 3.25Å; L431-W433 VanDerWaalsContact C-N 3.34Å; L431-W433 PolarHBondContact O-N 3.4Å; W433-F436 HydrophobicContact CE3-CD1 4.24Å; W433-F436 HydrophobicContact CH2-CD1 4.37Å; W433-F436 AromaticContact CZ3-CD1 3.9Å; W433-F436 HydrophobicContact CZ3-CD1 3.9Å; W433-F436 HydrophobicContact CZ3-CE1 4.26Å; W433-F436 PolarHBondContact O-N 3.01Å; W433-V437 HydrophobicContact CD2-CG2 4.25Å; W433-V437 HydrophobicContact CZ2-CG2 4.02Å; W433-V437 WeakPolarHBondContact O-CG2 3.44Å; W433-V437 PolarHBondContact O-N 3.28Å
434E93.9Very high88.4Confident104 Ų10457.9 Ų57.949%0.48628%0.281SS..Hα-helixtrans-61.9-45.5174.5-74.8170.5-177.500111R430 F436 V437 S438R430-E434 WeakPolarHBondContact CD-OE1 3.39Å; R430-E434 HydrophobicContact CG-CG 4.33Å; R430-E434 WeakPolarHBondContact CG-OE1 3.45Å; R430-E434 WeakPolarHBondContact O-CB 3.15Å; R430-E434 WeakPolarHBondContact O-CG 3.35Å; R430-E434 PolarHBondContact O-N 2.8Å; E434-F436 VanDerWaalsContact C-N 3.3Å; E434-F436 PolarHBondContact O-N 3.4Å; E434-V437 PolarHBondContact O-N 3.13Å; E434-S438 WeakPolarHBondContact O-CB 3.21Å; E434-S438 PolarHBondContact O-N 2.95Å; E434-S438 PolarHBondContact O-OG 3.39Å
435A92.5Very high88Confident3 Ų361.1 Ų61.13%0.02530%0.296CS..Hα-helixtrans-58.2-43.917500000111.4E398 I401 K402 L431 S438 R439E398-A435 HydrophobicContact CG-CB 4.16Å; I401-A435 HydrophobicContact CB-CB 3.81Å; I401-A435 HydrophobicContact CG2-CB 3.82Å; K402-A435 HydrophobicContact CB-CB 4.24Å; L431-A435 WeakPolarHBondContact O-CB 3.46Å; L431-A435 PolarHBondContact O-N 3.36Å; A435-S438 PolarHBondContact O-N 3.28Å; A435-S438 PolarHBondContact O-OG 3.03Å; A435-R439 PolarHBondContact O-N 2.89Å
436F89.8Confident87.5Confident10 Ų1064.1 Ų64.14%0.04431%0.31CS..Hα-helixtrans-63.7-50.2178.6-179.1-96.7000112.3Y204 W220 I401 A432 W433 E434 S438 R439Y204-F436 HydrophobicContact CD1-CE2 4.07Å; Y204-F436 AromaticContact CD1-CZ 3.54Å; Y204-F436 HydrophobicContact CD1-CZ 3.54Å; Y204-F436 HydrophobicContact CD2-CE1 4.41Å; Y204-F436 HydrophobicContact CD2-CE2 4.46Å; Y204-F436 AromaticContact CD2-CZ 3.98Å; Y204-F436 HydrophobicContact CD2-CZ 3.98Å; Y204-F436 AromaticContact CE1-CE2 3.94Å; Y204-F436 HydrophobicContact CE1-CE2 3.94Å; Y204-F436 AromaticContact CE1-CZ 3.91Å; Y204-F436 HydrophobicContact CE1-CZ 3.91Å; Y204-F436 HydrophobicContact CE2-CE2 4.37Å; Y204-F436 HydrophobicContact CE2-CZ 4.34Å; Y204-F436 HydrophobicContact CG-CE1 4.12Å; Y204-F436 HydrophobicContact CG-CE2 4.31Å; Y204-F436 AromaticContact CG-CZ 3.55Å; Y204-F436 HydrophobicContact CG-CZ 3.55Å; W220-F436 HydrophobicContact CH2-CE2 4.24Å; W220-F436 AromaticContact CH2-CZ 3.59Å; W220-F436 HydrophobicContact CH2-CZ 3.59Å; W220-F436 HydrophobicContact CZ2-CZ 4.22Å; W220-F436 HydrophobicContact CZ3-CZ 4.37Å; I401-F436 HydrophobicContact CG2-CB 3.75Å; I401-F436 HydrophobicContact CG2-CD2 4.4Å; A432-F436 VanDerWaalsContact O-CB 3.28Å; A432-F436 WeakPolarHBondContact O-CB 3.42Å; A432-F436 PolarHBondContact O-N 3.47Å; W433-F436 HydrophobicContact CE3-CD1 4.24Å; W433-F436 HydrophobicContact CH2-CD1 4.37Å; W433-F436 AromaticContact CZ3-CD1 3.9Å; W433-F436 HydrophobicContact CZ3-CD1 3.9Å; W433-F436 HydrophobicContact CZ3-CE1 4.26Å; W433-F436 PolarHBondContact O-N 3.01Å; E434-F436 VanDerWaalsContact C-N 3.3Å; E434-F436 PolarHBondContact O-N 3.4Å; F436-S438 VanDerWaalsContact C-N 3.26Å; F436-S438 PolarHBondContact O-N 3.09Å; F436-R439 WeakPolarHBondContact O-CB 3.25Å; F436-R439 PolarHBondContact O-N 3.33Å
437V87.8Confident86.8Confident96 Ų9664.4 Ų64.458%0.58231%0.312SS*.Hα-helixtrans-65.6-30.8178.7174.20000111.8W433 E434 R439W433-V437 HydrophobicContact CD2-CG2 4.25Å; W433-V437 HydrophobicContact CZ2-CG2 4.02Å; W433-V437 WeakPolarHBondContact O-CG2 3.44Å; W433-V437 PolarHBondContact O-N 3.28Å; E434-V437 PolarHBondContact O-N 3.13Å; V437-R439 VanDerWaalsContact C-N 3.31Å; V437-R439 PolarHBondContact O-N 2.93Å
438S86.5Confident86.1Confident50 Ų5060.7 Ų60.735%0.3530%0.298SS..THydrogen-bonded Turntrans-80.2-5.7179.777.70000114.8K402 E434 A435 F436 K440K402-S438 WeakPolarHBondContact CD-OG 3.5Å; K402-S438 WeakPolarHBondContact CE-OG 3.35Å; E434-S438 WeakPolarHBondContact O-CB 3.21Å; E434-S438 PolarHBondContact O-N 2.95Å; E434-S438 PolarHBondContact O-OG 3.39Å; A435-S438 PolarHBondContact O-N 3.28Å; A435-S438 PolarHBondContact O-OG 3.03Å; F436-S438 VanDerWaalsContact C-N 3.26Å; F436-S438 PolarHBondContact O-N 3.09Å; S438-K440 PolarHBondContact O-N 3.48Å; S438-K440 VanDerWaalsContact O-N 3.11Å
439R80.8Confident85.4Confident26 Ų2665.4 Ų65.410%0.09832%0.321CS..SBendtrans-59.2118.7170.7-77.7-169-172.5146.312.3108.2Y204 I401 K402 G405 N406 D407 A435 F436 V437 S441Y204-R439 HydrophobicContact CE2-CB 4.29Å; Y204-R439 PolarHBondContact OH-NH1 2.98Å; I401-R439 PolarHBondContact O-NE 3.05Å; I401-R439 PolarHBondContact O-NH2 3.35Å; K402-R439 HydrophobicContact CG-CG 4.44Å; G405-R439 VanDerWaalsContact CA-NH2 3.3Å; G405-R439 PolarHBondContact O-NH1 3.39Å; G405-R439 VanDerWaalsContact O-NH1 3.11Å; G405-R439 PolarHBondContact O-NH2 3.26Å; N406-R439 PolarHBondContact O-NH2 3.18Å; D407-R439 IonicContact OD1-NH1 2.68Å; A435-R439 PolarHBondContact O-N 2.89Å; F436-R439 WeakPolarHBondContact O-CB 3.25Å; F436-R439 PolarHBondContact O-N 3.33Å; V437-R439 VanDerWaalsContact C-N 3.31Å; V437-R439 PolarHBondContact O-N 2.93Å; R439-S441 PolarHBondContact O-N 3.49Å; R439-S441 VanDerWaalsContact O-N 3.12Å
440K54Low84.5Confident192 Ų19267 Ų6784%0.83533%0.333SS*.  trans-58.5120.3178.4-76.2-173.6174.9-1780108.8S438S438-K440 PolarHBondContact O-N 3.48Å; S438-K440 VanDerWaalsContact O-N 3.11Å
441S47.2Very low83.4Confident86 Ų8661.4 Ų61.460%0.60132%0.319SS*.  trans-56.70160.453.60000110.7N201 G202 R439N201-S441 WeakPolarHBondContact CA-OXT 3.44Å; N201-S441 WeakPolarHBondContact CB-OXT 3.06Å; G202-S441 PolarHBondContact N-OXT 3.29Å; R439-S441 PolarHBondContact O-N 3.49Å; R439-S441 VanDerWaalsContact O-N 3.12Å

Retrieved 441 of 441 residues in 309.8 ms (Link to these results)

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