A0A077ZDA5_TRITR Loading...

Glycos trans 3N and Peripla BP 3 and PYNP C and G lycos transf 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDA5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 652 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
1M95.1Very high87.5Confident13 Ų1336.5 Ų36.56%0.06419%0.192CC..  0122.60-177.8169.3176.400108.5V3 V14 I15 V18 I30 L31 C32 L57M1-V3 HydrophobicContact CE-CG1 3.61Å; M1-V3 HydrophobicContact CG-CG1 4.05Å; M1-V14 HydrophobicContact CE-CB 4.17Å; M1-V14 HydrophobicContact CE-CG1 3.61Å; M1-I15 HydrophobicContact CE-CB 4.4Å; M1-I15 HydrophobicContact CE-CG1 3.52Å; M1-I15 HydrophobicContact SD-CB 4.46Å; M1-I15 HydrophobicContact SD-CG1 3.76Å; M1-V18 HydrophobicContact SD-CB 4.35Å; M1-V18 HydrophobicContact SD-CG1 4.34Å; M1-V18 HydrophobicContact SD-CG2 4.22Å; M1-I30 PolarHBondContact N-O 2.92Å; M1-L31 HydrophobicContact CB-CD1 4.39Å; M1-L31 HydrophobicContact CG-CD1 4.4Å; M1-L31 CarbonylContact O-C 3.57Å; M1-L31 WeakPolarHBondContact O-CA 3.44Å; M1-C32 PolarHBondContact O-N 2.94Å; M1-L57 CarbonylContact C-O 3.46Å; M1-L57 WeakPolarHBondContact CA-O 3.48Å; M1-L57 HydrophobicContact CB-CB 4.19Å; M1-L57 HydrophobicContact CG-CB 3.99Å; M1-L57 HydrophobicContact SD-CD1 4.23Å
2I95.7Very high87.5Confident0 Ų036.9 Ų36.90%020%0.2CC..EExtended strand (participates in β ladder)trans-104.8127.9175.2-56.7165.7000107.2C32 E41 Y44 L45 L48 I56 L57 L58 A59I2-C32 CarbonylContact C-O 3.5Å; I2-C32 WeakPolarHBondContact CA-O 3.41Å; I2-C32 HydrophobicContact CB-CB 4.42Å; I2-C32 HydrophobicContact CG1-CB 3.96Å; I2-C32 HydrophobicContact CG2-CB 4.5Å; I2-E41 HydrophobicContact CG2-CG 4.3Å; I2-Y44 HydrophobicContact CG2-CD2 4.21Å; I2-L45 HydrophobicContact CD1-CD2 3.73Å; I2-L45 HydrophobicContact CD1-CG 3.88Å; I2-L48 HydrophobicContact CD1-CD1 3.89Å; I2-L48 HydrophobicContact CG1-CD1 3.82Å; I2-I56 HydrophobicContact CD1-CG2 4.24Å; I2-L57 PolarHBondContact N-O 3.01Å; I2-L58 HydrophobicContact CB-CD1 3.68Å; I2-L58 HydrophobicContact CD1-CD1 4.02Å; I2-L58 HydrophobicContact CG1-CD1 4.44Å; I2-L58 HydrophobicContact CG2-CD1 3.76Å; I2-A59 PolarHBondContact O-N 2.88Å
3V94.6Very high87.4Confident0 Ų042.5 Ų42.50%022%0.221CC..EExtended strand (participates in β ladder)trans-128.2152.2176.4-61.30000112.2M1 V6 F11 I15 L31 C32 N33 S34 A59M1-V3 HydrophobicContact CE-CG1 3.61Å; M1-V3 HydrophobicContact CG-CG1 4.05Å; V3-V6 HydrophobicContact CG2-CB 4.41Å; V3-V6 HydrophobicContact CG2-CG1 3.42Å; V3-V6 VanDerWaalsContact CG2-CG1 3.42Å; V3-F11 HydrophobicContact CB-CB 4.33Å; V3-F11 HydrophobicContact CB-CD1 4.39Å; V3-F11 HydrophobicContact CB-CG 4.3Å; V3-F11 HydrophobicContact CG1-CB 4.38Å; V3-F11 HydrophobicContact CG1-CD1 4.32Å; V3-I15 HydrophobicContact CG1-CD1 4.29Å; V3-I15 HydrophobicContact CG1-CG1 4.36Å; V3-I15 HydrophobicContact CG2-CD1 4.27Å; V3-L31 HydrophobicContact CG2-CD1 4.14Å; V3-C32 PolarHBondContact N-O 2.75Å; V3-N33 WeakPolarHBondContact O-CA 3.02Å; V3-S34 PolarHBondContact O-N 2.94Å; V3-S34 PolarHBondContact O-OG 3.03Å; V3-A59 HydrophobicContact CG1-CB 4.23Å
4P90Very high87.5Confident0 Ų041.5 Ų41.50%022%0.218CC..SBendtrans-67.9-35.4-179.9-21.336.3000113.6F11 N33 S34 R35 H36 A59P4-F11 HydrophobicContact CB-CE2 4.11Å; P4-F11 HydrophobicContact CB-CZ 4.4Å; P4-F11 HydrophobicContact CG-CE1 4.25Å; P4-F11 HydrophobicContact CG-CE2 3.81Å; P4-F11 HydrophobicContact CG-CZ 3.62Å; P4-N33 PolarHBondContact O-OD1 3.28Å; P4-S34 WeakPolarHBondContact CA-OG 3.33Å; P4-R35 CarbonylContact O-C 3.59Å; P4-R35 WeakPolarHBondContact O-CA 3.31Å; P4-R35 PolarHBondContact O-N 3.28Å; P4-H36 PolarHBondContact O-N 2.63Å; P4-H36 VanDerWaalsContact O-N 3.11Å; P4-H36 PolarHBondContact O-ND1 3Å; P4-A59 WeakPolarHBondContact CD-O 3.32Å
5D87.5Confident87.9Confident42 Ų4239.7 Ų39.723%0.22521%0.208CC..  trans-152130.5175-160.6-27.5000108.9T7 D8 F11D5-T7 VanDerWaalsContact C-N 3.34Å; D5-T7 VanDerWaalsContact CG-OG1 3.27Å; D5-T7 WeakPolarHBondContact OD1-CB 3.32Å; D5-T7 PolarHBondContact OD1-N 3.19Å; D5-T7 PolarHBondContact OD1-OG1 3.34Å; D5-T7 PolarHBondContact OD2-OG1 3.45Å; D5-D8 HydrophobicContact CB-CB 3.95Å; D5-F11 VanDerWaalsContact O-CB 3.31Å; D5-F11 WeakPolarHBondContact O-CB 3.14Å; D5-F11 WeakPolarHBondContact O-CD2 3.48Å
6V86.9Confident87.9Confident49 Ų4943.2 Ų43.230%0.29722%0.223SC..SBendtrans-84.2-15.2176.3-62.70000112.3V3 L31 N33V3-V6 HydrophobicContact CG2-CB 4.41Å; V3-V6 HydrophobicContact CG2-CG1 3.42Å; V3-V6 VanDerWaalsContact CG2-CG1 3.42Å; V6-L31 HydrophobicContact CG1-CD1 4.35Å; V6-L31 HydrophobicContact CG1-CD2 3.82Å; V6-L31 HydrophobicContact CG1-CG 4.09Å; V6-N33 HydrophobicContact CG1-CB 3.76Å; V6-N33 HydrophobicContact CG2-CB 4.47Å
7T80.2Confident88Confident107 Ų10743.2 Ų43.266%0.65624%0.236SC*.SBendtrans-90-17.5-17966.70000112.8D5D5-T7 VanDerWaalsContact C-N 3.34Å; D5-T7 VanDerWaalsContact CG-OG1 3.27Å; D5-T7 WeakPolarHBondContact OD1-CB 3.32Å; D5-T7 PolarHBondContact OD1-N 3.19Å; D5-T7 PolarHBondContact OD1-OG1 3.34Å; D5-T7 PolarHBondContact OD2-OG1 3.45Å
8D82.1Confident88.3Confident34 Ų3442.1 Ų42.118%0.18223%0.231CC..SBendtrans-66.1130.8172.3176-63.5000109.9D5 F10 F11 S12D5-D8 HydrophobicContact CB-CB 3.95Å; D8-F10 VanDerWaalsContact C-N 3.31Å; D8-F10 PolarHBondContact O-N 3.11Å; D8-F10 WeakPolarHBondContact OD1-CA 3.45Å; D8-F10 VanDerWaalsContact OD1-CB 3.28Å; D8-F10 WeakPolarHBondContact OD1-CB 3.27Å; D8-F10 PolarHBondContact OD1-N 3.41Å; D8-F11 HydrophobicContact CB-CD2 3.87Å; D8-F11 PolarHBondContact O-N 2.64Å; D8-F11 PolarHBondContact OD1-N 3.03Å; D8-S12 PolarHBondContact O-N 3.31Å; D8-S12 PolarHBondContact O-OG 3.07Å
9F79.6Confident88.5Confident91 Ų9143.9 Ų43.940%0.39924%0.237SC..Hα-helixtrans-64.5-33-173.6-83.1-88.3000113.6S12 K13 E185 L213F9-S12 WeakPolarHBondContact CA-OG 3.33Å; F9-S12 PolarHBondContact O-OG 2.79Å; F9-K13 WeakPolarHBondContact O-CG 3.5Å; F9-K13 PolarHBondContact O-N 2.98Å; F9-K13 VanDerWaalsContact O-N 3.16Å; F9-E185 HydrophobicContact CD2-CG 3.76Å; F9-E185 HydrophobicContact CE2-CG 4.3Å; F9-L213 HydrophobicContact CB-CD1 3.32Å; F9-L213 HydrophobicContact CB-CD2 3.98Å; F9-L213 HydrophobicContact CB-CG 4.31Å; F9-L213 HydrophobicContact CD1-CD1 4.43Å; F9-L213 HydrophobicContact CG-CD1 3.98Å
10F83.4Confident88.6Confident53 Ų5345.7 Ų45.723%0.23225%0.254CS..Hα-helixtrans-65.4-50.3177.6169.7-96000109.6D8 S12 K13 V14 V97 D211D8-F10 VanDerWaalsContact C-N 3.31Å; D8-F10 PolarHBondContact O-N 3.11Å; D8-F10 WeakPolarHBondContact OD1-CA 3.45Å; D8-F10 VanDerWaalsContact OD1-CB 3.28Å; D8-F10 WeakPolarHBondContact OD1-CB 3.27Å; D8-F10 PolarHBondContact OD1-N 3.41Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 2.91Å; F10-K13 PolarHBondContact O-N 3.21Å; F10-V14 HydrophobicContact CD1-CG2 4.41Å; F10-V14 HydrophobicContact CE1-CG2 4.01Å; F10-V14 HydrophobicContact CE2-CG2 4.39Å; F10-V14 HydrophobicContact CZ-CG2 4Å; F10-V14 WeakPolarHBondContact O-CG2 3.48Å; F10-V14 PolarHBondContact O-N 2.73Å; F10-V97 HydrophobicContact CZ-CG2 4.31Å; F10-D211 HydrophobicContact CD2-CB 4.22Å
11F87.9Confident88.7Confident13 Ų1351.4 Ų51.46%0.05727%0.272CS..Hα-helixtrans-67.3-34.9-179.6-66.8-58.8000112.9V3 P4 D5 D8 K13 V14 I15 A59 Y128V3-F11 HydrophobicContact CB-CB 4.33Å; V3-F11 HydrophobicContact CB-CD1 4.39Å; V3-F11 HydrophobicContact CB-CG 4.3Å; V3-F11 HydrophobicContact CG1-CB 4.38Å; V3-F11 HydrophobicContact CG1-CD1 4.32Å; P4-F11 HydrophobicContact CB-CE2 4.11Å; P4-F11 HydrophobicContact CB-CZ 4.4Å; P4-F11 HydrophobicContact CG-CE1 4.25Å; P4-F11 HydrophobicContact CG-CE2 3.81Å; P4-F11 HydrophobicContact CG-CZ 3.62Å; D5-F11 VanDerWaalsContact O-CB 3.31Å; D5-F11 WeakPolarHBondContact O-CB 3.14Å; D5-F11 WeakPolarHBondContact O-CD2 3.48Å; D8-F11 HydrophobicContact CB-CD2 3.87Å; D8-F11 PolarHBondContact O-N 2.64Å; D8-F11 PolarHBondContact OD1-N 3.03Å; F11-K13 VanDerWaalsContact C-N 3.31Å; F11-K13 PolarHBondContact O-N 3.44Å; F11-V14 PolarHBondContact O-N 3.07Å; F11-I15 WeakPolarHBondContact O-CD1 3.43Å; F11-I15 WeakPolarHBondContact O-CG1 3.34Å; F11-I15 PolarHBondContact O-N 2.73Å; F11-A59 HydrophobicContact CD1-CB 4.09Å; F11-A59 HydrophobicContact CE1-CB 3.71Å; F11-Y128 VanDerWaalsContact CE2-OH 3.27Å; F11-Y128 WeakPolarHBondContact CE2-OH 3.45Å; F11-Y128 WeakPolarHBondContact CZ-OH 3.44Å
12S86.6Confident88.6Confident41 Ų4153 Ų5329%0.28728%0.281SS..Hα-helixtrans-61.9-39.617570.30000111.8D8 F9 F10 I15 E16D8-S12 PolarHBondContact O-N 3.31Å; D8-S12 PolarHBondContact O-OG 3.07Å; F9-S12 WeakPolarHBondContact CA-OG 3.33Å; F9-S12 PolarHBondContact O-OG 2.79Å; F10-S12 VanDerWaalsContact C-N 3.35Å; F10-S12 PolarHBondContact O-N 2.91Å; S12-I15 WeakPolarHBondContact O-CB 3.39Å; S12-I15 PolarHBondContact O-N 2.61Å; S12-E16 PolarHBondContact O-N 3.23Å
13K86.1Confident88.3Confident110 Ų11057 Ų5748%0.47830%0.303SS..Hα-helixtrans-68.2-37.3173.9-72.9-69.9169.8-165.60113.5F9 F10 F11 I15 E16 G17 L213F9-K13 WeakPolarHBondContact O-CG 3.5Å; F9-K13 PolarHBondContact O-N 2.98Å; F9-K13 VanDerWaalsContact O-N 3.16Å; F10-K13 PolarHBondContact O-N 3.21Å; F11-K13 VanDerWaalsContact C-N 3.31Å; F11-K13 PolarHBondContact O-N 3.44Å; K13-I15 VanDerWaalsContact C-N 3.32Å; K13-E16 WeakPolarHBondContact CD-OE2 3.5Å; K13-E16 IonicContact NZ-OE1 3.51Å; K13-E16 IonicContact NZ-OE2 3.23Å; K13-E16 PolarHBondContact NZ-OE2 2.98Å; K13-E16 PolarHBondContact O-N 3.24Å; K13-G17 PolarHBondContact O-N 2.94Å; K13-L213 HydrophobicContact CG-CD2 3.85Å
14V89.9Confident88Confident28 Ų2862.2 Ų62.217%0.1734%0.336CS..Hα-helixtrans-62.5-42.5171.7-178.90000110.6M1 F10 F11 G17 V18 I83M1-V14 HydrophobicContact CE-CB 4.17Å; M1-V14 HydrophobicContact CE-CG1 3.61Å; F10-V14 HydrophobicContact CD1-CG2 4.41Å; F10-V14 HydrophobicContact CE1-CG2 4.01Å; F10-V14 HydrophobicContact CE2-CG2 4.39Å; F10-V14 HydrophobicContact CZ-CG2 4Å; F10-V14 WeakPolarHBondContact O-CG2 3.48Å; F10-V14 PolarHBondContact O-N 2.73Å; F11-V14 PolarHBondContact O-N 3.07Å; V14-G17 PolarHBondContact O-N 2.98Å; V14-V18 HydrophobicContact CG1-CG2 4.35Å; V14-V18 WeakPolarHBondContact O-CB 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.3Å; V14-V18 PolarHBondContact O-N 3.04Å; V14-I83 HydrophobicContact CG1-CD1 3.69Å
15I92.6Very high88.2Confident15 Ų1567 Ų678%0.07736%0.361CS..Hα-helixtrans-60.9-49.6177.2-67.2159000110.2M1 V3 F11 S12 K13 G17 V18 E19 I29 L31M1-I15 HydrophobicContact CE-CB 4.4Å; M1-I15 HydrophobicContact CE-CG1 3.52Å; M1-I15 HydrophobicContact SD-CB 4.46Å; M1-I15 HydrophobicContact SD-CG1 3.76Å; V3-I15 HydrophobicContact CG1-CD1 4.29Å; V3-I15 HydrophobicContact CG1-CG1 4.36Å; V3-I15 HydrophobicContact CG2-CD1 4.27Å; F11-I15 WeakPolarHBondContact O-CD1 3.43Å; F11-I15 WeakPolarHBondContact O-CG1 3.34Å; F11-I15 PolarHBondContact O-N 2.73Å; S12-I15 WeakPolarHBondContact O-CB 3.39Å; S12-I15 PolarHBondContact O-N 2.61Å; K13-I15 VanDerWaalsContact C-N 3.32Å; I15-G17 VanDerWaalsContact C-N 3.33Å; I15-G17 PolarHBondContact O-N 3.02Å; I15-V18 PolarHBondContact O-N 3.22Å; I15-V18 VanDerWaalsContact O-N 3.17Å; I15-E19 HydrophobicContact CG2-CG 4.32Å; I15-E19 WeakPolarHBondContact O-CG 3.48Å; I15-E19 PolarHBondContact O-N 3.19Å; I15-I29 HydrophobicContact CG2-CD1 3.9Å; I15-L31 HydrophobicContact CD1-CD1 3.6Å; I15-L31 HydrophobicContact CD1-CD2 3.97Å; I15-L31 HydrophobicContact CD1-CG 4.44Å; I15-L31 HydrophobicContact CG1-CD1 3.91Å
16E88.1Confident88.4Confident95 Ų9568.3 Ų68.344%0.44439%0.385SS..Hα-helixtrans-56.8-45.2177.9-175.7-177.8179.400111.8S12 K13 E19 S20S12-E16 PolarHBondContact O-N 3.23Å; K13-E16 WeakPolarHBondContact CD-OE2 3.5Å; K13-E16 IonicContact NZ-OE1 3.51Å; K13-E16 IonicContact NZ-OE2 3.23Å; K13-E16 PolarHBondContact NZ-OE2 2.98Å; K13-E16 PolarHBondContact O-N 3.24Å; E16-E19 PolarHBondContact O-N 3.49Å; E16-S20 VanDerWaalsContact O-CB 3.25Å; E16-S20 WeakPolarHBondContact O-CB 3.43Å; E16-S20 PolarHBondContact O-N 3.33Å; E16-S20 PolarHBondContact O-OG 3.16Å
17G89.8Confident88.7Confident43 Ų4371.8 Ų71.844%0.44339%0.393SS..Hα-helixtrans-64.4-40.2177.100000113K13 V14 I15 Y21K13-G17 PolarHBondContact O-N 2.94Å; V14-G17 PolarHBondContact O-N 2.98Å; I15-G17 VanDerWaalsContact C-N 3.33Å; I15-G17 PolarHBondContact O-N 3.02Å; G17-Y21 PolarHBondContact O-N 3.4Å
18V93.5Very high89.3Confident24 Ų2475 Ų7515%0.14540%0.403CS..Hα-helixtrans-63.8-48.7175167.90000110.8M1 V14 I15 Y21 L22 I29 L57M1-V18 HydrophobicContact SD-CB 4.35Å; M1-V18 HydrophobicContact SD-CG1 4.34Å; M1-V18 HydrophobicContact SD-CG2 4.22Å; V14-V18 HydrophobicContact CG1-CG2 4.35Å; V14-V18 WeakPolarHBondContact O-CB 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.3Å; V14-V18 PolarHBondContact O-N 3.04Å; I15-V18 PolarHBondContact O-N 3.22Å; I15-V18 VanDerWaalsContact O-N 3.17Å; V18-Y21 PolarHBondContact O-N 3.25Å; V18-L22 HydrophobicContact CG1-CD1 3.57Å; V18-L22 HydrophobicContact CG1-CG 4.19Å; V18-L22 VanDerWaalsContact O-CB 3.27Å; V18-L22 WeakPolarHBondContact O-CB 3.39Å; V18-L22 VanDerWaalsContact O-CG 3.32Å; V18-L22 WeakPolarHBondContact O-CG 3.4Å; V18-L22 PolarHBondContact O-N 3.15Å; V18-I29 HydrophobicContact CG1-CG2 3.92Å; V18-L57 HydrophobicContact CB-CD1 4.25Å; V18-L57 HydrophobicContact CG1-CD1 3.57Å; V18-L57 HydrophobicContact CG2-CD1 3.57Å
19E92.4Very high89.8Confident76 Ų7675 Ų7536%0.35540%0.403SS..Hα-helixtrans-62.5-44.4179.3-73.2-171.3144.900111.8I15 E16 Y21 L22 N23 I29I15-E19 HydrophobicContact CG2-CG 4.32Å; I15-E19 WeakPolarHBondContact O-CG 3.48Å; I15-E19 PolarHBondContact O-N 3.19Å; E16-E19 PolarHBondContact O-N 3.49Å; E19-Y21 PolarHBondContact O-N 3.31Å; E19-L22 PolarHBondContact O-N 2.94Å; E19-N23 VanDerWaalsContact O-CB 3.24Å; E19-N23 WeakPolarHBondContact O-CB 3.38Å; E19-N23 VanDerWaalsContact O-CG 3.23Å; E19-N23 PolarHBondContact O-N 3.41Å; E19-N23 PolarHBondContact O-ND2 2.89Å; E19-I29 HydrophobicContact CG-CD1 3.36Å; E19-I29 HydrophobicContact CG-CG1 3.79Å; E19-I29 VanDerWaalsContact OE1-CD1 3.26Å; E19-I29 WeakPolarHBondContact OE1-CD1 3.12Å; E19-I29 WeakPolarHBondContact OE1-CG1 3.46Å
20S89.6Confident90.5Very high80 Ų8074.3 Ų74.356%0.55940%0.402SS*.Hα-helixtrans-60.3-32.7179.5-62.10000112.5E16 P24E16-S20 VanDerWaalsContact O-CB 3.25Å; E16-S20 WeakPolarHBondContact O-CB 3.43Å; E16-S20 PolarHBondContact O-N 3.33Å; E16-S20 PolarHBondContact O-OG 3.16Å; S20-P24 WeakPolarHBondContact O-CD 3.46Å; S20-P24 VanDerWaalsContact O-CG 3.28Å; S20-P24 WeakPolarHBondContact O-CG 3.43Å
21Y91.2Very high91.1Very high166 Ų16675.4 Ų75.465%0.65141%0.41SS*.Hα-helixtrans-84.4-40.7176.2-172-99.6000112.9G17 V18 E19 L25G17-Y21 PolarHBondContact O-N 3.4Å; V18-Y21 PolarHBondContact O-N 3.25Å; E19-Y21 PolarHBondContact O-N 3.31Å; Y21-L25 HydrophobicContact CD1-CD1 4.1Å; Y21-L25 HydrophobicContact CE1-CD1 3.68Å; Y21-L25 WeakPolarHBondContact O-CG 3.28Å
22L92.2Very high91.4Very high46 Ų4675.5 Ų75.524%0.24141%0.412CS..Hα-helixtrans-81.2-37.5-172.7-72.5-173.6000113.8V18 E19 L25 G26 Y27 I29V18-L22 HydrophobicContact CG1-CD1 3.57Å; V18-L22 HydrophobicContact CG1-CG 4.19Å; V18-L22 VanDerWaalsContact O-CB 3.27Å; V18-L22 WeakPolarHBondContact O-CB 3.39Å; V18-L22 VanDerWaalsContact O-CG 3.32Å; V18-L22 WeakPolarHBondContact O-CG 3.4Å; V18-L22 PolarHBondContact O-N 3.15Å; E19-L22 PolarHBondContact O-N 2.94Å; L22-L25 CarbonylContact O-C 3.43Å; L22-L25 WeakPolarHBondContact O-CA 3.3Å; L22-L25 WeakPolarHBondContact O-CB 3.34Å; L22-L25 PolarHBondContact O-N 3.22Å; L22-L25 VanDerWaalsContact O-N 3.07Å; L22-G26 PolarHBondContact O-N 2.94Å; L22-Y27 HydrophobicContact CD2-CD2 4.42Å; L22-Y27 HydrophobicContact CD2-CG 4.46Å; L22-Y27 PolarHBondContact O-N 3.45Å; L22-Y27 VanDerWaalsContact O-N 3.09Å; L22-I29 HydrophobicContact CD1-CG2 3.83Å
23N90Very high91.8Very high85 Ų8575.2 Ų75.246%0.45541%0.407SS..G310 helixtrans-62-45-176.9-70.1-13.8000112.6E19 L25 G26 Y27E19-N23 VanDerWaalsContact O-CB 3.24Å; E19-N23 WeakPolarHBondContact O-CB 3.38Å; E19-N23 VanDerWaalsContact O-CG 3.23Å; E19-N23 PolarHBondContact O-N 3.41Å; E19-N23 PolarHBondContact O-ND2 2.89Å; N23-L25 PolarHBondContact O-N 3.33Å; N23-G26 PolarHBondContact O-N 3.27Å; N23-Y27 PolarHBondContact OD1-O 2.69Å
24P88.9Confident92.2Very high109 Ų10970 Ų7071%0.70838%0.384SS*.G310 helixtrans-62-22.5175.1-23.935.6000113.9S20 G26S20-P24 WeakPolarHBondContact O-CD 3.46Å; S20-P24 VanDerWaalsContact O-CG 3.28Å; S20-P24 WeakPolarHBondContact O-CG 3.43Å; P24-G26 VanDerWaalsContact C-N 3.29Å
25L93.7Very high92.1Very high101 Ų10178.1 Ų78.153%0.52941%0.412SS..G310 helixtrans-86.91.9176.1-60.9177.4000112.9Y21 L22 N23 Y27Y21-L25 HydrophobicContact CD1-CD1 4.1Å; Y21-L25 HydrophobicContact CE1-CD1 3.68Å; Y21-L25 WeakPolarHBondContact O-CG 3.28Å; L22-L25 CarbonylContact O-C 3.43Å; L22-L25 WeakPolarHBondContact O-CA 3.3Å; L22-L25 WeakPolarHBondContact O-CB 3.34Å; L22-L25 PolarHBondContact O-N 3.22Å; L22-L25 VanDerWaalsContact O-N 3.07Å; N23-L25 PolarHBondContact O-N 3.33Å; L25-Y27 VanDerWaalsContact C-N 3.35Å; L25-Y27 HydrophobicContact CB-CD2 3.82Å; L25-Y27 HydrophobicContact CB-CE2 4.21Å
26G92.5Very high91.7Very high69 Ų6980.6 Ų80.671%0.71142%0.423SS*.THydrogen-bonded Turntrans80.69.7179.800000114.8L22 N23 P24L22-G26 PolarHBondContact O-N 2.94Å; N23-G26 PolarHBondContact O-N 3.27Å; P24-G26 VanDerWaalsContact C-N 3.29Å
27Y93.5Very high91.8Very high121 Ų12179.7 Ų79.748%0.47542%0.421SS..  trans-87.7146.5174.4-70.2-88.6000110.7L22 N23 L25L22-Y27 HydrophobicContact CD2-CD2 4.42Å; L22-Y27 HydrophobicContact CD2-CG 4.46Å; L22-Y27 PolarHBondContact O-N 3.45Å; L22-Y27 VanDerWaalsContact O-N 3.09Å; N23-Y27 PolarHBondContact OD1-O 2.69Å; L25-Y27 VanDerWaalsContact C-N 3.35Å; L25-Y27 HydrophobicContact CB-CD2 3.82Å; L25-Y27 HydrophobicContact CB-CE2 4.21Å
28M92.4Very high91.8Very high175 Ų17579.6 Ų79.686%0.86241%0.411SS*.  trans-115.7143.1171.8-68.7-172.1-71.400110
29I93Very high91.7Very high34 Ų3483.8 Ų83.817%0.17443%0.428CS..  trans-94.3138.7175.269.4161000111.7I15 V18 E19 L22I15-I29 HydrophobicContact CG2-CD1 3.9Å; V18-I29 HydrophobicContact CG1-CG2 3.92Å; E19-I29 HydrophobicContact CG-CD1 3.36Å; E19-I29 HydrophobicContact CG-CG1 3.79Å; E19-I29 VanDerWaalsContact OE1-CD1 3.26Å; E19-I29 WeakPolarHBondContact OE1-CD1 3.12Å; E19-I29 WeakPolarHBondContact OE1-CG1 3.46Å; L22-I29 HydrophobicContact CD1-CG2 3.83Å
30I94.3Very high91.7Very high77 Ų7782.2 Ų82.240%0.39542%0.421SS..  trans-99.2110163-57.9176.6000107M1 L48 V53M1-I30 PolarHBondContact N-O 2.92Å; I30-L48 HydrophobicContact CB-CD2 4.09Å; I30-L48 HydrophobicContact CD1-CD2 4.32Å; I30-L48 HydrophobicContact CG2-CD2 3.94Å; I30-V53 HydrophobicContact CD1-CG1 4.01Å
31L94.8Very high91.9Very high76 Ų7678.5 Ų78.540%0.39840%0.395SS..  trans-86.6130.7-179.9-173.963.2000111.3M1 V3 V6 I15M1-L31 HydrophobicContact CB-CD1 4.39Å; M1-L31 HydrophobicContact CG-CD1 4.4Å; M1-L31 CarbonylContact O-C 3.57Å; M1-L31 WeakPolarHBondContact O-CA 3.44Å; V3-L31 HydrophobicContact CG2-CD1 4.14Å; V6-L31 HydrophobicContact CG1-CD1 4.35Å; V6-L31 HydrophobicContact CG1-CD2 3.82Å; V6-L31 HydrophobicContact CG1-CG 4.09Å; I15-L31 HydrophobicContact CD1-CD1 3.6Å; I15-L31 HydrophobicContact CD1-CD2 3.97Å; I15-L31 HydrophobicContact CD1-CG 4.44Å; I15-L31 HydrophobicContact CG1-CD1 3.91Å
32C95.6Very high92Very high14 Ų1472.8 Ų72.810%0.09537%0.374CS..EExtended strand (participates in β ladder)trans-127.8124.4178.3-55.90000110.1M1 I2 V3 Y44M1-C32 PolarHBondContact O-N 2.94Å; I2-C32 CarbonylContact C-O 3.5Å; I2-C32 WeakPolarHBondContact CA-O 3.41Å; I2-C32 HydrophobicContact CB-CB 4.42Å; I2-C32 HydrophobicContact CG1-CB 3.96Å; I2-C32 HydrophobicContact CG2-CB 4.5Å; V3-C32 PolarHBondContact N-O 2.75Å; C32-Y44 HydrophobicContact CB-CD1 4Å; C32-Y44 HydrophobicContact CB-CD2 3.65Å; C32-Y44 HydrophobicContact CB-CE1 4.24Å; C32-Y44 HydrophobicContact CB-CE2 3.88Å; C32-Y44 HydrophobicContact CB-CG 3.69Å
33N95Very high92.1Very high35 Ų3577.3 Ų77.319%0.18739%0.387CS..EExtended strand (participates in β ladder)trans-98.1109.6178.2-176.9-4.5000110.4V3 P4 V6 R35 Y44V3-N33 WeakPolarHBondContact O-CA 3.02Å; P4-N33 PolarHBondContact O-OD1 3.28Å; V6-N33 HydrophobicContact CG1-CB 3.76Å; V6-N33 HydrophobicContact CG2-CB 4.47Å; N33-R35 VanDerWaalsContact C-N 3.35Å; N33-R35 PolarHBondContact OD1-N 3.48Å; N33-Y44 WeakPolarHBondContact O-CE2 3.26Å; N33-Y44 PolarHBondContact O-OH 3.11Å; N33-Y44 VanDerWaalsContact O-OH 3.04Å
34S93.1Very high92.3Very high0 Ų075.5 Ų75.50%037%0.374CS..  trans-79.1-13.8-178.868.80000114.3V3 P4 H36 D37 E41V3-S34 PolarHBondContact O-N 2.94Å; V3-S34 PolarHBondContact O-OG 3.03Å; P4-S34 WeakPolarHBondContact CA-OG 3.33Å; S34-H36 PolarHBondContact O-N 3.45Å; S34-D37 WeakPolarHBondContact O-CB 3.49Å; S34-D37 PolarHBondContact O-N 3.16Å; S34-E41 PolarHBondContact OG-OE1 3.27Å
35R88.7Confident92.6Very high199 Ų19970.3 Ų70.375%0.75134%0.341SS*.THydrogen-bonded Turntrans51.337.8-175.4-56.3-176.2179.8-150.6-1.5112.1P4 N33 D37P4-R35 CarbonylContact O-C 3.59Å; P4-R35 WeakPolarHBondContact O-CA 3.31Å; P4-R35 PolarHBondContact O-N 3.28Å; N33-R35 VanDerWaalsContact C-N 3.35Å; N33-R35 PolarHBondContact OD1-N 3.48Å; R35-D37 PolarHBondContact O-N 3.27Å; R35-D37 VanDerWaalsContact O-N 3.14Å
36H84.3Confident92.5Very high68 Ų6868.1 Ų68.132%0.31533%0.33SS..THydrogen-bonded Turntrans64.37.9-179-48.348.6000115P4 S34 Y128P4-H36 PolarHBondContact O-N 2.63Å; P4-H36 VanDerWaalsContact O-N 3.11Å; P4-H36 PolarHBondContact O-ND1 3Å; S34-H36 PolarHBondContact O-N 3.45Å; H36-Y128 AromaticContact CD2-CE2 3.57Å; H36-Y128 AromaticContact NE2-CE2 3.68Å
37D88.8Confident92.5Very high75 Ų7567.8 Ų67.840%0.40131%0.31SS..  trans-91.3118.7-177.3178.212.1000111.5S34 R35 E39 Q40 E41S34-D37 WeakPolarHBondContact O-CB 3.49Å; S34-D37 PolarHBondContact O-N 3.16Å; R35-D37 PolarHBondContact O-N 3.27Å; R35-D37 VanDerWaalsContact O-N 3.14Å; D37-E39 VanDerWaalsContact C-N 3.29Å; D37-E39 PolarHBondContact O-N 2.9Å; D37-E39 PolarHBondContact OD1-N 3.28Å; D37-Q40 HydrophobicContact CB-CB 3.82Å; D37-Q40 WeakPolarHBondContact O-CB 3.47Å; D37-Q40 PolarHBondContact O-N 3.26Å; D37-Q40 VanDerWaalsContact O-N 3.16Å; D37-E41 PolarHBondContact O-N 3.39Å
38I89.8Confident92.5Very high42 Ų4262.3 Ų62.322%0.21529%0.288CS..Hα-helixtrans-61.3-34.9178.6-164.7178.5000112.5Q40 E41 K42 N62I38-Q40 VanDerWaalsContact C-N 3.31Å; I38-E41 PolarHBondContact O-N 3.09Å; I38-K42 VanDerWaalsContact O-CG 3.3Å; I38-K42 WeakPolarHBondContact O-CG 3.44Å; I38-K42 PolarHBondContact O-N 2.63Å; I38-N62 HydrophobicContact CB-CB 4.31Å; I38-N62 HydrophobicContact CD1-CB 3.99Å; I38-N62 HydrophobicContact CG1-CB 4Å
39E92.1Very high92.3Very high111 Ų11155.2 Ų55.252%0.51926%0.256SS..Hα-helixtrans-71.1-33.5178.8-66-55126.800110.8D37 K42 R43D37-E39 VanDerWaalsContact C-N 3.29Å; D37-E39 PolarHBondContact O-N 2.9Å; D37-E39 PolarHBondContact OD1-N 3.28Å; E39-K42 PolarHBondContact O-N 2.92Å; E39-K42 IonicContact OE1-NZ 3.5Å; E39-K42 PolarHBondContact OE1-NZ 3.43Å; E39-R43 WeakPolarHBondContact O-CB 3.41Å; E39-R43 PolarHBondContact O-N 3.45Å
40Q93.2Very high92.2Very high44 Ų4461.1 Ų61.121%0.20628%0.282CS..Hα-helixtrans-69.8-37.7173.2-167.258.362.900111.9D37 I38 R43 Y44D37-Q40 HydrophobicContact CB-CB 3.82Å; D37-Q40 WeakPolarHBondContact O-CB 3.47Å; D37-Q40 PolarHBondContact O-N 3.26Å; D37-Q40 VanDerWaalsContact O-N 3.16Å; I38-Q40 VanDerWaalsContact C-N 3.31Å; Q40-R43 PolarHBondContact O-N 2.88Å; Q40-Y44 HydrophobicContact CG-CD2 4.11Å; Q40-Y44 HydrophobicContact CG-CE2 3.52Å; Q40-Y44 VanDerWaalsContact NE2-CE1 3.27Å; Q40-Y44 PolarHBondContact NE2-OH 2.85Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.39Å; Q40-Y44 PolarHBondContact O-N 2.86Å
41E93.4Very high91.9Very high1 Ų165.6 Ų65.61%0.00529%0.294CS..Hα-helixtrans-59.6-50.3171.1-70.5177.1-171.700111.4I2 S34 D37 I38 R43 Y44 L45 T60 P61 N62I2-E41 HydrophobicContact CG2-CG 4.3Å; S34-E41 PolarHBondContact OG-OE1 3.27Å; D37-E41 PolarHBondContact O-N 3.39Å; I38-E41 PolarHBondContact O-N 3.09Å; E41-R43 VanDerWaalsContact C-N 3.29Å; E41-R43 PolarHBondContact O-N 2.94Å; E41-Y44 PolarHBondContact O-N 3.29Å; E41-L45 WeakPolarHBondContact O-CG 3.49Å; E41-L45 PolarHBondContact O-N 3.31Å; E41-T60 PolarHBondContact OE1-OG1 3.22Å; E41-T60 WeakPolarHBondContact OE2-CB 3.46Å; E41-T60 PolarHBondContact OE2-OG1 3.3Å; E41-P61 WeakPolarHBondContact OE1-CD 3.31Å; E41-N62 PolarHBondContact OE1-ND2 3.33Å; E41-N62 PolarHBondContact OE2-ND2 2.89Å
42K92.8Very high91.3Very high47 Ų4766.8 Ų66.820%0.20431%0.309CS..Hα-helixtrans-57.4-42.9176.6-68.6173.6-175.3165.40111.6I38 E39 L45 N46I38-K42 VanDerWaalsContact O-CG 3.3Å; I38-K42 WeakPolarHBondContact O-CG 3.44Å; I38-K42 PolarHBondContact O-N 2.63Å; E39-K42 PolarHBondContact O-N 2.92Å; E39-K42 IonicContact OE1-NZ 3.5Å; E39-K42 PolarHBondContact OE1-NZ 3.43Å; K42-L45 PolarHBondContact O-N 3.33Å; K42-N46 PolarHBondContact O-N 3.03Å; K42-N46 VanDerWaalsContact O-N 3.1Å; K42-N46 PolarHBondContact O-ND2 3.49Å
43R93.8Very high91.2Very high140 Ų14067.8 Ų67.853%0.52832%0.315SS..Hα-helixtrans-60-48.6176-179.9177.8165.7-170.6-2.4111.6E39 Q40 E41 L45 N46 E47E39-R43 WeakPolarHBondContact O-CB 3.41Å; E39-R43 PolarHBondContact O-N 3.45Å; Q40-R43 PolarHBondContact O-N 2.88Å; E41-R43 VanDerWaalsContact C-N 3.29Å; E41-R43 PolarHBondContact O-N 2.94Å; R43-L45 PolarHBondContact O-N 3.11Å; R43-N46 PolarHBondContact O-N 3.12Å; R43-E47 HydrophobicContact CG-CG 4.5Å; R43-E47 IonicContact CZ-OE1 3.7Å; R43-E47 IonicContact NE-OE1 2.83Å; R43-E47 PolarHBondContact NE-OE1 2.82Å; R43-E47 IonicContact NH2-OE1 2.87Å; R43-E47 PolarHBondContact NH2-OE1 3.1Å; R43-E47 VanDerWaalsContact NH2-OE1 3.13Å; R43-E47 WeakPolarHBondContact O-CG 3.41Å; R43-E47 PolarHBondContact O-N 3.41Å
44Y95.1Very high91.1Very high47 Ų4772.3 Ų72.318%0.18434%0.339CS..Hα-helixtrans-66.3-36.3178.7-67.3-44.4000113.1I2 C32 N33 Q40 E41 N46 E47 L48I2-Y44 HydrophobicContact CG2-CD2 4.21Å; C32-Y44 HydrophobicContact CB-CD1 4Å; C32-Y44 HydrophobicContact CB-CD2 3.65Å; C32-Y44 HydrophobicContact CB-CE1 4.24Å; C32-Y44 HydrophobicContact CB-CE2 3.88Å; C32-Y44 HydrophobicContact CB-CG 3.69Å; N33-Y44 WeakPolarHBondContact O-CE2 3.26Å; N33-Y44 PolarHBondContact O-OH 3.11Å; N33-Y44 VanDerWaalsContact O-OH 3.04Å; Q40-Y44 HydrophobicContact CG-CD2 4.11Å; Q40-Y44 HydrophobicContact CG-CE2 3.52Å; Q40-Y44 VanDerWaalsContact NE2-CE1 3.27Å; Q40-Y44 PolarHBondContact NE2-OH 2.85Å; Q40-Y44 WeakPolarHBondContact O-CD2 3.39Å; Q40-Y44 PolarHBondContact O-N 2.86Å; E41-Y44 PolarHBondContact O-N 3.29Å; Y44-N46 VanDerWaalsContact C-N 3.3Å; Y44-N46 PolarHBondContact O-N 3.43Å; Y44-E47 PolarHBondContact O-N 3Å; Y44-L48 WeakPolarHBondContact O-CB 3.42Å; Y44-L48 VanDerWaalsContact O-CG 3.25Å; Y44-L48 WeakPolarHBondContact O-CG 3.25Å; Y44-L48 PolarHBondContact O-N 3.46Å
45L94.1Very high91.1Very high0 Ų074.1 Ų74.10%036%0.358CS..Hα-helixtrans-56.7-46.6173-74.9173.3000111I2 E41 K42 R43 S49 I56 L58 H68 F74I2-L45 HydrophobicContact CD1-CD2 3.73Å; I2-L45 HydrophobicContact CD1-CG 3.88Å; E41-L45 WeakPolarHBondContact O-CG 3.49Å; E41-L45 PolarHBondContact O-N 3.31Å; K42-L45 PolarHBondContact O-N 3.33Å; R43-L45 PolarHBondContact O-N 3.11Å; L45-S49 WeakPolarHBondContact O-CB 3.42Å; L45-S49 PolarHBondContact O-N 2.83Å; L45-I56 HydrophobicContact CD2-CD1 3.99Å; L45-I56 HydrophobicContact CD2-CG2 4.02Å; L45-L58 HydrophobicContact CD1-CD2 4.18Å; L45-L58 HydrophobicContact CD2-CD2 4.25Å; L45-H68 HydrophobicContact CD1-CB 4.18Å; L45-F74 HydrophobicContact CB-CE1 4.07Å; L45-F74 HydrophobicContact CB-CZ 3.74Å; L45-F74 HydrophobicContact CD2-CE1 4.12Å; L45-F74 HydrophobicContact CD2-CZ 4.39Å; L45-F74 HydrophobicContact CG-CE1 4.5Å; L45-F74 WeakPolarHBondContact O-CZ 3.14Å
46N92.2Very high91.3Very high56 Ų5664.8 Ų64.830%0.29932%0.323SS..Hα-helixtrans-65.8-43.2176.4-70.6-47.7000112.5K42 R43 Y44 S49 H50 H68K42-N46 PolarHBondContact O-N 3.03Å; K42-N46 VanDerWaalsContact O-N 3.1Å; K42-N46 PolarHBondContact O-ND2 3.49Å; R43-N46 PolarHBondContact O-N 3.12Å; Y44-N46 VanDerWaalsContact C-N 3.3Å; Y44-N46 PolarHBondContact O-N 3.43Å; N46-S49 WeakPolarHBondContact O-CB 3.41Å; N46-S49 PolarHBondContact O-N 2.84Å; N46-H50 PolarHBondContact O-CD2 3.02Å; N46-H50 PolarHBondContact O-N 3.21Å; N46-H68 PolarHBondContact ND2-NE2 3.47Å; N46-H68 PolarHBondContact OD1-CE1 3Å; N46-H68 VanDerWaalsContact OD1-CE1 3.31Å
47E93.2Very high91.8Very high62 Ų6263.5 Ų63.529%0.2932%0.318SS..Hα-helixtrans-63.9-41.1178.1-72.1-179.2-173.200112.5R43 Y44 H50 R51R43-E47 HydrophobicContact CG-CG 4.5Å; R43-E47 IonicContact CZ-OE1 3.7Å; R43-E47 IonicContact NE-OE1 2.83Å; R43-E47 PolarHBondContact NE-OE1 2.82Å; R43-E47 IonicContact NH2-OE1 2.87Å; R43-E47 PolarHBondContact NH2-OE1 3.1Å; R43-E47 VanDerWaalsContact NH2-OE1 3.13Å; R43-E47 WeakPolarHBondContact O-CG 3.41Å; R43-E47 PolarHBondContact O-N 3.41Å; Y44-E47 PolarHBondContact O-N 3Å; E47-H50 PolarHBondContact O-N 3.35Å; E47-R51 VanDerWaalsContact O-CG 3.32Å; E47-R51 WeakPolarHBondContact O-CG 3.27Å; E47-R51 PolarHBondContact O-N 3.39Å; E47-R51 VanDerWaalsContact O-N 3.07Å
48L92.8Very high92.1Very high5 Ų559.9 Ų59.93%0.02630%0.299CS..Hα-helixtrans-67.9-39176.6-70.1175.7000111.6I2 I30 Y44 H50 R51 S52 V53 I56I2-L48 HydrophobicContact CD1-CD1 3.89Å; I2-L48 HydrophobicContact CG1-CD1 3.82Å; I30-L48 HydrophobicContact CB-CD2 4.09Å; I30-L48 HydrophobicContact CD1-CD2 4.32Å; I30-L48 HydrophobicContact CG2-CD2 3.94Å; Y44-L48 WeakPolarHBondContact O-CB 3.42Å; Y44-L48 VanDerWaalsContact O-CG 3.25Å; Y44-L48 WeakPolarHBondContact O-CG 3.25Å; Y44-L48 PolarHBondContact O-N 3.46Å; L48-H50 PolarHBondContact O-N 2.84Å; L48-R51 PolarHBondContact O-N 2.79Å; L48-S52 PolarHBondContact O-N 3.29Å; L48-V53 HydrophobicContact CB-CG1 4.47Å; L48-V53 HydrophobicContact CB-CG2 4.08Å; L48-V53 HydrophobicContact CD2-CG1 4.05Å; L48-I56 HydrophobicContact CB-CD1 4.1Å; L48-I56 HydrophobicContact CB-CG1 4.43Å; L48-I56 HydrophobicContact CD1-CD1 4.47Å; L48-I56 HydrophobicContact CD1-CG1 4.36Å; L48-I56 HydrophobicContact CD1-CG2 4.18Å
49S89Confident92.3Very high26 Ų2657.9 Ų57.918%0.18229%0.288CS..Hα-helixtrans-58.3-46.5172.2174.50000111.7L45 N46 R51 S52 H78L45-S49 WeakPolarHBondContact O-CB 3.42Å; L45-S49 PolarHBondContact O-N 2.83Å; N46-S49 WeakPolarHBondContact O-CB 3.41Å; N46-S49 PolarHBondContact O-N 2.84Å; S49-R51 VanDerWaalsContact C-N 3.28Å; S49-R51 PolarHBondContact O-N 3.2Å; S49-S52 PolarHBondContact O-N 3.12Å; S49-S52 VanDerWaalsContact O-N 3.12Å; S49-H78 WeakPolarHBondContact CB-NE2 3.44Å; S49-H78 PolarHBondContact OG-CE1 2.84Å; S49-H78 PolarHBondContact OG-NE2 3.29Å
50H89.3Confident92.1Very high158 Ų15852.9 Ų52.973%0.73127%0.265SS*.Hα-helixtrans-64.8-29.7176.6-71.4-48.8000113.7N46 E47 L48 S52N46-H50 PolarHBondContact O-CD2 3.02Å; N46-H50 PolarHBondContact O-N 3.21Å; E47-H50 PolarHBondContact O-N 3.35Å; L48-H50 PolarHBondContact O-N 2.84Å; H50-S52 PolarHBondContact O-N 3.38Å
51R88Confident91.6Very high171 Ų17151.3 Ų51.365%0.64526%0.259SS*.THydrogen-bonded Turntrans-77.8-0.8176.3-71.8174-175.3-85.21.3113.7E47 L48 S49 V53E47-R51 VanDerWaalsContact O-CG 3.32Å; E47-R51 WeakPolarHBondContact O-CG 3.27Å; E47-R51 PolarHBondContact O-N 3.39Å; E47-R51 VanDerWaalsContact O-N 3.07Å; L48-R51 PolarHBondContact O-N 2.79Å; S49-R51 VanDerWaalsContact C-N 3.28Å; S49-R51 PolarHBondContact O-N 3.2Å; R51-V53 VanDerWaalsContact C-N 3.32Å; R51-V53 HydrophobicContact CB-CG1 4.38Å; R51-V53 PolarHBondContact O-N 3.19Å
52S83.3Confident91.3Very high102 Ų10252.7 Ų52.771%0.71327%0.266SS*.THydrogen-bonded Turntrans5544.6179.2-54.40000112.9L48 S49 H50L48-S52 PolarHBondContact O-N 3.29Å; S49-S52 PolarHBondContact O-N 3.12Å; S49-S52 VanDerWaalsContact O-N 3.12Å; H50-S52 PolarHBondContact O-N 3.38Å
53V93.1Very high91Very high34 Ų3455 Ų5521%0.20628%0.278CS..  trans-65.8146.9173.2-59.30000111.2I30 L48 R51 G55 I56I30-V53 HydrophobicContact CD1-CG1 4.01Å; L48-V53 HydrophobicContact CB-CG1 4.47Å; L48-V53 HydrophobicContact CB-CG2 4.08Å; L48-V53 HydrophobicContact CD2-CG1 4.05Å; R51-V53 VanDerWaalsContact C-N 3.32Å; R51-V53 HydrophobicContact CB-CG1 4.38Å; R51-V53 PolarHBondContact O-N 3.19Å; V53-G55 PolarHBondContact O-N 2.65Å; V53-I56 HydrophobicContact CG2-CD1 4.44Å; V53-I56 HydrophobicContact CG2-CG1 3.82Å
54D92.5Very high90.7Very high130 Ų13048.5 Ų48.570%0.69525%0.254SS*.SBendtrans-68-24.2179.9-58.2-73.5000113.3
55G92.9Very high90.3Very high38 Ų3851.6 Ų51.639%0.39227%0.27SS..  trans-172165.3177.500000112.7V53 P79V53-G55 PolarHBondContact O-N 2.65Å; G55-P79 CarbonylContact C-O 3.56Å; G55-P79 WeakPolarHBondContact CA-O 3.5Å
56I94.5Very high89.9Confident3 Ų354.7 Ų54.72%0.01530%0.301CS..EExtended strand (participates in β ladder)trans-124.8120.8-178.6-55.7175.2000109.3I2 L45 L48 V53 L58 F74 P79 I80 V81I2-I56 HydrophobicContact CD1-CG2 4.24Å; L45-I56 HydrophobicContact CD2-CD1 3.99Å; L45-I56 HydrophobicContact CD2-CG2 4.02Å; L48-I56 HydrophobicContact CB-CD1 4.1Å; L48-I56 HydrophobicContact CB-CG1 4.43Å; L48-I56 HydrophobicContact CD1-CD1 4.47Å; L48-I56 HydrophobicContact CD1-CG1 4.36Å; L48-I56 HydrophobicContact CD1-CG2 4.18Å; V53-I56 HydrophobicContact CG2-CD1 4.44Å; V53-I56 HydrophobicContact CG2-CG1 3.82Å; I56-L58 HydrophobicContact CG2-CB 4.32Å; I56-F74 HydrophobicContact CD1-CZ 4.49Å; I56-P79 PolarHBondContact N-O 3.43Å; I56-I80 HydrophobicContact CB-CG1 4.19Å; I56-I80 HydrophobicContact CB-CG2 4.46Å; I56-I80 CarbonylContact O-C 3.52Å; I56-I80 VanDerWaalsContact O-CA 3.28Å; I56-I80 WeakPolarHBondContact O-CA 3.11Å; I56-V81 PolarHBondContact O-N 2.69Å
57L94.8Very high89.6Confident41 Ų4159.3 Ų59.322%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-87.3119.5159.2-56.1-178.7000107.7M1 I2 V18 V81M1-L57 CarbonylContact C-O 3.46Å; M1-L57 WeakPolarHBondContact CA-O 3.48Å; M1-L57 HydrophobicContact CB-CB 4.19Å; M1-L57 HydrophobicContact CG-CB 3.99Å; M1-L57 HydrophobicContact SD-CD1 4.23Å; I2-L57 PolarHBondContact N-O 3.01Å; V18-L57 HydrophobicContact CB-CD1 4.25Å; V18-L57 HydrophobicContact CG1-CD1 3.57Å; V18-L57 HydrophobicContact CG2-CD1 3.57Å; L57-V81 HydrophobicContact CD2-CB 3.67Å; L57-V81 HydrophobicContact CD2-CG1 4.21Å; L57-V81 HydrophobicContact CD2-CG2 4.11Å
58L94.6Very high89.3Confident0 Ų056.9 Ų56.90%031%0.309CS..EExtended strand (participates in β ladder)trans-120106.9178.3169.263.3000109I2 L45 I56 T60 L64 I80 V81 L82 I83I2-L58 HydrophobicContact CB-CD1 3.68Å; I2-L58 HydrophobicContact CD1-CD1 4.02Å; I2-L58 HydrophobicContact CG1-CD1 4.44Å; I2-L58 HydrophobicContact CG2-CD1 3.76Å; L45-L58 HydrophobicContact CD1-CD2 4.18Å; L45-L58 HydrophobicContact CD2-CD2 4.25Å; I56-L58 HydrophobicContact CG2-CB 4.32Å; L58-T60 HydrophobicContact CD2-CG2 4.18Å; L58-T60 HydrophobicContact CG-CG2 4.03Å; L58-L64 HydrophobicContact CD2-CD1 4.05Å; L58-L64 HydrophobicContact CD2-CD2 4.15Å; L58-I80 HydrophobicContact CB-CG2 4.24Å; L58-V81 PolarHBondContact N-O 3.49Å; L58-L82 HydrophobicContact CB-CD2 3.9Å; L58-L82 HydrophobicContact CD2-CD2 3.74Å; L58-L82 HydrophobicContact CG-CD2 3.93Å; L58-L82 WeakPolarHBondContact O-CA 3.33Å; L58-I83 PolarHBondContact O-N 3.31Å
59A92.8Very high88.9Confident0 Ų062.4 Ų62.40%033%0.334CS..EExtended strand (participates in β ladder)trans-86113.2164.600000109I2 V3 P4 F11 I83I2-A59 PolarHBondContact O-N 2.88Å; V3-A59 HydrophobicContact CG1-CB 4.23Å; P4-A59 WeakPolarHBondContact CD-O 3.32Å; F11-A59 HydrophobicContact CD1-CB 4.09Å; F11-A59 HydrophobicContact CE1-CB 3.71Å; A59-I83 WeakPolarHBondContact CA-O 3.42Å; A59-I83 HydrophobicContact CB-CB 3.93Å; A59-I83 HydrophobicContact CB-CG2 4.45Å
60T89.1Confident88.6Confident5 Ų563.3 Ų63.33%0.03134%0.336CS..  trans-134.6132.1-173.9-179.10000111.4E41 L58 N62 L82 I83 D84E41-T60 PolarHBondContact OE1-OG1 3.22Å; E41-T60 WeakPolarHBondContact OE2-CB 3.46Å; E41-T60 PolarHBondContact OE2-OG1 3.3Å; L58-T60 HydrophobicContact CD2-CG2 4.18Å; L58-T60 HydrophobicContact CG-CG2 4.03Å; T60-N62 VanDerWaalsContact C-N 3.26Å; T60-N62 WeakPolarHBondContact OG1-CB 3.37Å; T60-N62 PolarHBondContact OG1-N 2.96Å; T60-L82 HydrophobicContact CG2-CD2 4.33Å; T60-I83 PolarHBondContact N-O 2.89Å; T60-D84 HydrophobicContact CG2-CB 4.17Å; T60-D84 WeakPolarHBondContact O-CB 3.48Å
61P82.6Confident88.2Confident12 Ų1257.8 Ų57.88%0.07832%0.322CS..SBendtrans-85-2.4168.135.9-33.9000111.9E41 L87 Y128E41-P61 WeakPolarHBondContact OE1-CD 3.31Å; P61-L87 WeakPolarHBondContact O-CD1 3.05Å; P61-Y128 HydrophobicContact CB-CE2 4.35Å
62N86.6Confident88Confident29 Ų2950.7 Ų50.716%0.15530%0.299CS..SBendtrans-103.6151.3-167.4-61.9-59.7000112.4I38 E41 T60 N88I38-N62 HydrophobicContact CB-CB 4.31Å; I38-N62 HydrophobicContact CD1-CB 3.99Å; I38-N62 HydrophobicContact CG1-CB 4Å; E41-N62 PolarHBondContact OE1-ND2 3.33Å; E41-N62 PolarHBondContact OE2-ND2 2.89Å; T60-N62 VanDerWaalsContact C-N 3.26Å; T60-N62 WeakPolarHBondContact OG1-CB 3.37Å; T60-N62 PolarHBondContact OG1-N 2.96Å; N62-N88 PolarHBondContact O-ND2 3.43Å
63H87.4Confident88.2Confident96 Ų9650.7 Ų50.744%0.44429%0.291SS..PPolyproline II helixtrans-76.4130.1166-173.168.9000109.5E65 L87H63-E65 IonicContact CD2-OE1 3.51Å; H63-L87 PolarHBondContact ND1-O 3.48Å; H63-L87 VanDerWaalsContact ND1-O 3.11Å
64L87.2Confident87.9Confident4 Ų450.3 Ų50.32%0.02129%0.286CS..PPolyproline II helixtrans-85.9124.6-176.2-62.4176.3000111.5L58 H68 Y75 L82 N88L58-L64 HydrophobicContact CD2-CD1 4.05Å; L58-L64 HydrophobicContact CD2-CD2 4.15Å; L64-H68 WeakPolarHBondContact CB-O 3.2Å; L64-Y75 HydrophobicContact CD1-CE2 4.05Å; L64-Y75 WeakPolarHBondContact CD1-OH 3.37Å; L64-L82 HydrophobicContact CD1-CD1 4.22Å; L64-L82 HydrophobicContact CD1-CD2 4.09Å; L64-N88 PolarHBondContact N-OD1 2.89Å
65E86.2Confident87.3Confident112 Ų11244.9 Ų44.952%0.52326%0.256SS..  trans-126.7170.1-172.4-63.4-176.4172.400112.6H63 H68 K69H63-E65 IonicContact CD2-OE1 3.51Å; E65-H68 PolarHBondContact O-N 3.18Å; E65-K69 PolarHBondContact O-N 3.46Å
66G86.5Confident86.8Confident64 Ų6451.9 Ų51.966%0.6627%0.271SS*.G310 helixtrans64.4-137.417500000113.2H68 K69G66-H68 PolarHBondContact O-N 3.23Å; G66-K69 VanDerWaalsContact O-CB 3.27Å; G66-K69 WeakPolarHBondContact O-CB 3.3Å; G66-K69 PolarHBondContact O-N 2.54Å
67E85.2Confident86.4Confident154 Ų15459.3 Ų59.372%0.7230%0.303SS*.G310 helixtrans-65-17.6179-63.7-174.9175.300113.1S72 F74E67-S72 WeakPolarHBondContact O-CB 3.22Å; E67-S72 PolarHBondContact O-OG 2.92Å; E67-F74 VanDerWaalsContact O-CB 3.27Å; E67-F74 WeakPolarHBondContact O-CB 2.98Å
68H86.2Confident86.1Confident10 Ų1058.9 Ų58.95%0.04630%0.3CS..G310 helixtrans-99.29.8175.6-53-71.3000112.5L45 N46 L64 E65 G66 F74 Y75L45-H68 HydrophobicContact CD1-CB 4.18Å; N46-H68 PolarHBondContact ND2-NE2 3.47Å; N46-H68 PolarHBondContact OD1-CE1 3Å; N46-H68 VanDerWaalsContact OD1-CE1 3.31Å; L64-H68 WeakPolarHBondContact CB-O 3.2Å; E65-H68 PolarHBondContact O-N 3.18Å; G66-H68 PolarHBondContact O-N 3.23Å; H68-F74 AromaticContact ND1-CD1 3.63Å; H68-F74 AromaticContact ND1-CD2 3.97Å; H68-F74 AromaticContact ND1-CE1 3.76Å; H68-F74 AromaticContact ND1-CG 3.75Å; H68-Y75 VanDerWaalsContact O-CD2 3.3Å; H68-Y75 WeakPolarHBondContact O-CD2 3.31Å; H68-Y75 WeakPolarHBondContact O-CE2 3.23Å
69K86.2Confident85.9Confident122 Ų12262.6 Ų62.653%0.5332%0.324SS..SBendtrans-61.7147.6173.6-175.5178.1177.3177.80110.7E65 G66 G71 S72 Y75E65-K69 PolarHBondContact O-N 3.46Å; G66-K69 VanDerWaalsContact O-CB 3.27Å; G66-K69 WeakPolarHBondContact O-CB 3.3Å; G66-K69 PolarHBondContact O-N 2.54Å; K69-G71 PolarHBondContact O-N 2.8Å; K69-S72 WeakPolarHBondContact O-CB 3.44Å; K69-S72 PolarHBondContact O-N 3.32Å; K69-S72 PolarHBondContact O-OG 3.14Å; K69-S72 VanDerWaalsContact O-OG 3.04Å; K69-Y75 WeakPolarHBondContact O-CD2 3.36Å
70L80.7Confident85.9Confident44 Ų4462.7 Ų62.723%0.2332%0.324CS..THydrogen-bonded Turntrans-49.3130.8169.8-61.8174000111.7S72 Y75 L82 N88 D89 R90L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 3.47Å; L70-Y75 HydrophobicContact CD2-CD1 4.23Å; L70-Y75 HydrophobicContact CD2-CE1 3.77Å; L70-L82 HydrophobicContact CD2-CD1 4.02Å; L70-N88 VanDerWaalsContact CD1-C 3.44Å; L70-N88 HydrophobicContact CD1-CB 3.8Å; L70-N88 HydrophobicContact CD2-CB 4.49Å; L70-N88 HydrophobicContact CG-CB 4.39Å; L70-D89 WeakPolarHBondContact CD1-O 3.3Å; L70-R90 HydrophobicContact CD1-CB 4.48Å
71G81.2Confident86Confident43 Ų4365.2 Ų65.244%0.44334%0.339SS..THydrogen-bonded Turntrans79.51.8-178.300000115.3K69 R76K69-G71 PolarHBondContact O-N 2.8Å; G71-R76 VanDerWaalsContact O-CZ 3.23Å; G71-R76 PolarHBondContact O-NE 3.27Å; G71-R76 PolarHBondContact O-NH2 3.34Å
72S85.5Confident86.5Confident22 Ų2264.6 Ų64.615%0.15434%0.336CS..SBendtrans-64.1165.817175.70000112.1E67 K69 L70 F74 Y75 R76E67-S72 WeakPolarHBondContact O-CB 3.22Å; E67-S72 PolarHBondContact O-OG 2.92Å; K69-S72 WeakPolarHBondContact O-CB 3.44Å; K69-S72 PolarHBondContact O-N 3.32Å; K69-S72 PolarHBondContact O-OG 3.14Å; K69-S72 VanDerWaalsContact O-OG 3.04Å; L70-S72 VanDerWaalsContact C-N 3.28Å; L70-S72 PolarHBondContact O-N 3.47Å; S72-F74 PolarHBondContact O-N 3.28Å; S72-F74 PolarHBondContact OG-N 2.9Å; S72-Y75 PolarHBondContact O-N 2.93Å; S72-Y75 VanDerWaalsContact O-N 3.1Å; S72-Y75 PolarHBondContact OG-N 2.91Å; S72-R76 WeakPolarHBondContact O-CG 3.34Å; S72-R76 PolarHBondContact O-N 3.4Å
73D85.6Confident86.7Confident102 Ų10264.1 Ų64.155%0.54533%0.333SS..Hα-helixtrans-61.4-31175.1-72-14.1000112.4R76 K77D73-R76 PolarHBondContact O-N 3Å; D73-R76 IonicContact OD1-NH1 2.69Å; D73-R76 PolarHBondContact OD1-NH1 3.47Å; D73-K77 WeakPolarHBondContact O-CB 3.27Å; D73-K77 VanDerWaalsContact O-CG 3.26Å; D73-K77 WeakPolarHBondContact O-CG 3.05Å; D73-K77 PolarHBondContact O-N 3.35Å
74F86.8Confident86.4Confident25 Ų2560.1 Ų60.111%0.1132%0.315CS..Hα-helixtrans-61.2-50172.3-176.1-87.8000110.7L45 I56 E67 H68 S72 R76 K77 H78 I80L45-F74 HydrophobicContact CB-CE1 4.07Å; L45-F74 HydrophobicContact CB-CZ 3.74Å; L45-F74 HydrophobicContact CD2-CE1 4.12Å; L45-F74 HydrophobicContact CD2-CZ 4.39Å; L45-F74 HydrophobicContact CG-CE1 4.5Å; L45-F74 WeakPolarHBondContact O-CZ 3.14Å; I56-F74 HydrophobicContact CD1-CZ 4.49Å; E67-F74 VanDerWaalsContact O-CB 3.27Å; E67-F74 WeakPolarHBondContact O-CB 2.98Å; H68-F74 AromaticContact ND1-CD1 3.63Å; H68-F74 AromaticContact ND1-CD2 3.97Å; H68-F74 AromaticContact ND1-CE1 3.76Å; H68-F74 AromaticContact ND1-CG 3.75Å; S72-F74 PolarHBondContact O-N 3.28Å; S72-F74 PolarHBondContact OG-N 2.9Å; F74-R76 VanDerWaalsContact C-N 3.32Å; F74-R76 PolarHBondContact O-N 3.37Å; F74-K77 PolarHBondContact O-N 3.47Å; F74-H78 PolarHBondContact O-N 3.09Å; F74-H78 PolarHBondContact O-ND1 2.88Å; F74-I80 HydrophobicContact CD1-CD1 4.09Å; F74-I80 HydrophobicContact CE1-CD1 3.72Å
75Y81.5Confident85.8Confident16 Ų1663.5 Ų63.56%0.06333%0.327CS..Hα-helixtrans-65.3-31.1179.4-104.1-89.4000113.7L64 H68 K69 L70 S72 H78 I80 L82L64-Y75 HydrophobicContact CD1-CE2 4.05Å; L64-Y75 WeakPolarHBondContact CD1-OH 3.37Å; H68-Y75 VanDerWaalsContact O-CD2 3.3Å; H68-Y75 WeakPolarHBondContact O-CD2 3.31Å; H68-Y75 WeakPolarHBondContact O-CE2 3.23Å; K69-Y75 WeakPolarHBondContact O-CD2 3.36Å; L70-Y75 HydrophobicContact CD2-CD1 4.23Å; L70-Y75 HydrophobicContact CD2-CE1 3.77Å; S72-Y75 PolarHBondContact O-N 2.93Å; S72-Y75 VanDerWaalsContact O-N 3.1Å; S72-Y75 PolarHBondContact OG-N 2.91Å; Y75-H78 VanDerWaalsContact O-O 3.06Å; Y75-I80 HydrophobicContact CD1-CB 4.31Å; Y75-I80 HydrophobicContact CD1-CD1 3.97Å; Y75-I80 HydrophobicContact CD1-CG1 4.47Å; Y75-I80 HydrophobicContact CD2-CD1 4.18Å; Y75-I80 HydrophobicContact CE1-CB 3.77Å; Y75-I80 HydrophobicContact CE1-CD1 3.74Å; Y75-I80 HydrophobicContact CE1-CG1 4.22Å; Y75-I80 HydrophobicContact CE1-CG2 4.01Å; Y75-I80 HydrophobicContact CE2-CD1 3.89Å; Y75-I80 HydrophobicContact CG-CD1 4.19Å; Y75-L82 WeakPolarHBondContact OH-CD2 3.35Å
76R82.1Confident85.4Confident186 Ų18659.9 Ų59.970%0.70232%0.32SS*.Hα-helixtrans-75.4-27.9176.5-71-179.8-174.1138.20.3113.2G71 S72 D73 F74G71-R76 VanDerWaalsContact O-CZ 3.23Å; G71-R76 PolarHBondContact O-NE 3.27Å; G71-R76 PolarHBondContact O-NH2 3.34Å; S72-R76 WeakPolarHBondContact O-CG 3.34Å; S72-R76 PolarHBondContact O-N 3.4Å; D73-R76 PolarHBondContact O-N 3Å; D73-R76 IonicContact OD1-NH1 2.69Å; D73-R76 PolarHBondContact OD1-NH1 3.47Å; F74-R76 VanDerWaalsContact C-N 3.32Å; F74-R76 PolarHBondContact O-N 3.37Å
77K86.6Confident85.1Confident159 Ų15960.6 Ų60.669%0.69131%0.308SS*.Hα-helixtrans-86.3-23-177.6-74.2175.3-177.51770113.6D73 F74D73-K77 WeakPolarHBondContact O-CB 3.27Å; D73-K77 VanDerWaalsContact O-CG 3.26Å; D73-K77 WeakPolarHBondContact O-CG 3.05Å; D73-K77 PolarHBondContact O-N 3.35Å; F74-K77 PolarHBondContact O-N 3.47Å
78H87.7Confident85.1Confident31 Ų3153.2 Ų53.214%0.14427%0.274CS..SBendtrans-123.3127.5-176.3-52.589.7000109.9S49 F74 Y75 I80S49-H78 WeakPolarHBondContact CB-NE2 3.44Å; S49-H78 PolarHBondContact OG-CE1 2.84Å; S49-H78 PolarHBondContact OG-NE2 3.29Å; F74-H78 PolarHBondContact O-N 3.09Å; F74-H78 PolarHBondContact O-ND1 2.88Å; Y75-H78 VanDerWaalsContact O-O 3.06Å; H78-I80 HydrophobicContact CB-CG1 4.3Å; H78-I80 WeakPolarHBondContact O-CG1 3.39Å; H78-I80 PolarHBondContact O-N 2.72Å
79P90.7Very high84.8Confident78 Ų7859.6 Ų59.651%0.50631%0.308SS..  trans-63.7117.9169.5-21.233.7000110G55 I56G55-P79 CarbonylContact C-O 3.56Å; G55-P79 WeakPolarHBondContact CA-O 3.5Å; I56-P79 PolarHBondContact N-O 3.43Å
80I91.9Very high84.7Confident3 Ų355 Ų552%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-124.2121.6179.2-52.5179.4000109.7I56 L58 F74 Y75 H78 L82 R90I56-I80 HydrophobicContact CB-CG1 4.19Å; I56-I80 HydrophobicContact CB-CG2 4.46Å; I56-I80 CarbonylContact O-C 3.52Å; I56-I80 VanDerWaalsContact O-CA 3.28Å; I56-I80 WeakPolarHBondContact O-CA 3.11Å; L58-I80 HydrophobicContact CB-CG2 4.24Å; F74-I80 HydrophobicContact CD1-CD1 4.09Å; F74-I80 HydrophobicContact CE1-CD1 3.72Å; Y75-I80 HydrophobicContact CD1-CB 4.31Å; Y75-I80 HydrophobicContact CD1-CD1 3.97Å; Y75-I80 HydrophobicContact CD1-CG1 4.47Å; Y75-I80 HydrophobicContact CD2-CD1 4.18Å; Y75-I80 HydrophobicContact CE1-CB 3.77Å; Y75-I80 HydrophobicContact CE1-CD1 3.74Å; Y75-I80 HydrophobicContact CE1-CG1 4.22Å; Y75-I80 HydrophobicContact CE1-CG2 4.01Å; Y75-I80 HydrophobicContact CE2-CD1 3.89Å; Y75-I80 HydrophobicContact CG-CD1 4.19Å; H78-I80 HydrophobicContact CB-CG1 4.3Å; H78-I80 WeakPolarHBondContact O-CG1 3.39Å; H78-I80 PolarHBondContact O-N 2.72Å; I80-L82 HydrophobicContact CG2-CD2 4.01Å; I80-R90 PolarHBondContact O-NH1 3.4Å; I80-R90 PolarHBondContact O-NH2 2.85Å
81V92.7Very high84.8Confident57 Ų5760.6 Ų60.635%0.34532%0.318SS..EExtended strand (participates in β ladder)trans-98126.8166.7179.30000108.4I56 L57 L58 G93I56-V81 PolarHBondContact O-N 2.69Å; L57-V81 HydrophobicContact CD2-CB 3.67Å; L57-V81 HydrophobicContact CD2-CG1 4.21Å; L57-V81 HydrophobicContact CD2-CG2 4.11Å; L58-V81 PolarHBondContact N-O 3.49Å; V81-G93 CarbonylContact C-O 3.34Å; V81-G93 VanDerWaalsContact CA-O 3.28Å; V81-G93 WeakPolarHBondContact CA-O 3.31Å
82L92.2Very high84.9Confident0 Ų066.6 Ų66.60%033%0.327CS..EExtended strand (participates in β ladder)trans-94.5132.3176.5-67.3-176.7000110.6L58 T60 L64 L70 Y75 I80 N88 G93 Q94 L95L58-L82 HydrophobicContact CB-CD2 3.9Å; L58-L82 HydrophobicContact CD2-CD2 3.74Å; L58-L82 HydrophobicContact CG-CD2 3.93Å; L58-L82 WeakPolarHBondContact O-CA 3.33Å; T60-L82 HydrophobicContact CG2-CD2 4.33Å; L64-L82 HydrophobicContact CD1-CD1 4.22Å; L64-L82 HydrophobicContact CD1-CD2 4.09Å; L70-L82 HydrophobicContact CD2-CD1 4.02Å; Y75-L82 WeakPolarHBondContact OH-CD2 3.35Å; I80-L82 HydrophobicContact CG2-CD2 4.01Å; L82-N88 HydrophobicContact CD1-CB 3.68Å; L82-G93 PolarHBondContact N-O 3.4Å; L82-Q94 CarbonylContact O-C 3.59Å; L82-Q94 WeakPolarHBondContact O-CA 3.42Å; L82-L95 PolarHBondContact O-N 2.76Å
83I90.3Very high85Confident19 Ų1966.8 Ų66.810%0.09733%0.333CS..EExtended strand (participates in β ladder)trans-109.589.8165.8-49.1179.2000105.5V14 L58 A59 T60 L95V14-I83 HydrophobicContact CG1-CD1 3.69Å; L58-I83 PolarHBondContact O-N 3.31Å; A59-I83 WeakPolarHBondContact CA-O 3.42Å; A59-I83 HydrophobicContact CB-CB 3.93Å; A59-I83 HydrophobicContact CB-CG2 4.45Å; T60-I83 PolarHBondContact N-O 2.89Å; I83-L95 HydrophobicContact CD1-CD2 4.24Å; I83-L95 HydrophobicContact CG1-CB 4.26Å; I83-L95 HydrophobicContact CG1-CD2 4.12Å; I83-L95 HydrophobicContact CG2-CD2 4.18Å
84D82.5Confident85.2Confident12 Ų1265.5 Ų65.56%0.06432%0.323CS..EExtended strand (participates in β ladder)trans-137.8-170.7-174.486.9-20.6000111.3T60 G86 L87 N88 L95 L96T60-D84 HydrophobicContact CG2-CB 4.17Å; T60-D84 WeakPolarHBondContact O-CB 3.48Å; D84-G86 PolarHBondContact OD1-N 3.47Å; D84-L87 PolarHBondContact OD2-N 3.38Å; D84-N88 WeakPolarHBondContact OD2-CB 3.4Å; D84-N88 PolarHBondContact OD2-N 2.8Å; D84-N88 VanDerWaalsContact OD2-N 3.13Å; D84-N88 PolarHBondContact OD2-ND2 3Å; D84-L95 PolarHBondContact N-O 3.19Å; D84-L96 WeakPolarHBondContact O-CD2 3.36Å; D84-L96 WeakPolarHBondContact OD1-CD2 3.15Å
85R73.8Confident85.3Confident75 Ų7569 Ų6928%0.28334%0.342SS..SBendtrans-101.723.7-179-59.8-179-64.2170.5-1.4112.6L87 Y127 Y128 Q129R85-L87 VanDerWaalsContact C-N 3.26Å; R85-L87 PolarHBondContact O-N 3.06Å; R85-Y127 PolarHBondContact NH2-O 2.9Å; R85-Y127 VanDerWaalsContact NH2-O 3.11Å; R85-Y128 VanDerWaalsContact NH1-C 3.35Å; R85-Q129 VanDerWaalsContact NH1-N 3.13Å; R85-Q129 PolarHBondContact NH1-O 3.05Å
86G77.8Confident85.5Confident36 Ų3671.7 Ų71.737%0.37136%0.358SS..SBendtrans71.321.4-174.100000113.1D84 N88D84-G86 PolarHBondContact OD1-N 3.47Å; G86-N88 PolarHBondContact O-N 3.46Å
87L79.8Confident85.7Confident78 Ų7866.1 Ų66.141%0.40834%0.344SS..SBendtrans-72.2-21.1173.5-70.8173.4000111.6P61 H63 D84 R85P61-L87 WeakPolarHBondContact O-CD1 3.05Å; H63-L87 PolarHBondContact ND1-O 3.48Å; H63-L87 VanDerWaalsContact ND1-O 3.11Å; D84-L87 PolarHBondContact OD2-N 3.38Å; R85-L87 VanDerWaalsContact C-N 3.26Å; R85-L87 PolarHBondContact O-N 3.06Å
88N85.7Confident85.7Confident0 Ų065.8 Ų65.80%035%0.345CS..SBendtrans-115.880.3-178.4-62-75.2000109.8N62 L64 L70 L82 D84 G86 R90N62-N88 PolarHBondContact O-ND2 3.43Å; L64-N88 PolarHBondContact N-OD1 2.89Å; L70-N88 VanDerWaalsContact CD1-C 3.44Å; L70-N88 HydrophobicContact CD1-CB 3.8Å; L70-N88 HydrophobicContact CD2-CB 4.49Å; L70-N88 HydrophobicContact CG-CB 4.39Å; L82-N88 HydrophobicContact CD1-CB 3.68Å; D84-N88 WeakPolarHBondContact OD2-CB 3.4Å; D84-N88 PolarHBondContact OD2-N 2.8Å; D84-N88 VanDerWaalsContact OD2-N 3.13Å; D84-N88 PolarHBondContact OD2-ND2 3Å; G86-N88 PolarHBondContact O-N 3.46Å; N88-R90 PolarHBondContact O-N 3.43Å
89D80.2Confident85.7Confident144 Ų14465.6 Ų65.677%0.7734%0.344SS*.  trans-55.9122.6-175.3-172.822.9000113.7L70L70-D89 WeakPolarHBondContact CD1-O 3.3Å
90R83.6Confident85.7Confident24 Ų2465.5 Ų65.59%0.09133%0.334CS..  trans-159.2155.3-179.362.5-173.6-62.4-170.4-6.4113.1L70 I80 N88 W92 G93 Q94L70-R90 HydrophobicContact CD1-CB 4.48Å; I80-R90 PolarHBondContact O-NH1 3.4Å; I80-R90 PolarHBondContact O-NH2 2.85Å; N88-R90 PolarHBondContact O-N 3.43Å; R90-W92 PolarHBondContact NE-O 2.86Å; R90-W92 VanDerWaalsContact NH2-CZ3 3.31Å; R90-W92 PolarHBondContact NH2-O 3.13Å; R90-G93 PolarHBondContact NH1-O 2.9Å; R90-Q94 HydrophobicContact CG-CB 4.16Å; R90-Q94 PolarHBondContact O-NE2 3.14Å; R90-Q94 PolarHBondContact O-OE1 3.05Å
91D81.9Confident85.7Confident163 Ų16367.2 Ų67.287%0.87235%0.349SS*.SBendtrans-83-20.1-175.8-60.3-42.6000115
92W84.7Confident85.6Confident169 Ų16965.5 Ų65.564%0.6434%0.343SS*.SBendtrans-150.8155.6-172.958.9-88.9000112R90R90-W92 PolarHBondContact NE-O 2.86Å; R90-W92 VanDerWaalsContact NH2-CZ3 3.31Å; R90-W92 PolarHBondContact NH2-O 3.13Å
93G87.2Confident85.7Confident26 Ų2665.5 Ų65.527%0.26834%0.343SS..SBendtrans69.638176.800000113.3V81 L82 R90V81-G93 CarbonylContact C-O 3.34Å; V81-G93 VanDerWaalsContact CA-O 3.28Å; V81-G93 WeakPolarHBondContact CA-O 3.31Å; L82-G93 PolarHBondContact N-O 3.4Å; R90-G93 PolarHBondContact NH1-O 2.9Å
94Q88.7Confident85.9Confident75 Ų7566 Ų6635%0.3535%0.345SS..EExtended strand (participates in β ladder)trans-123140.5172.865.8-175-9.300109.9L82 R90 L96L82-Q94 CarbonylContact O-C 3.59Å; L82-Q94 WeakPolarHBondContact O-CA 3.42Å; R90-Q94 HydrophobicContact CG-CB 4.16Å; R90-Q94 PolarHBondContact O-NE2 3.14Å; R90-Q94 PolarHBondContact O-OE1 3.05Å; Q94-L96 HydrophobicContact CB-CG 4.48Å; Q94-L96 HydrophobicContact CG-CD1 4.45Å; Q94-L96 HydrophobicContact CG-CG 4.32Å
95L89.4Confident86.5Confident97 Ų9771.9 Ų71.951%0.50837%0.372SS..EExtended strand (participates in β ladder)trans-119.1112.4170.6-179.268.2000106.8L82 I83 D84L82-L95 PolarHBondContact O-N 2.76Å; I83-L95 HydrophobicContact CD1-CD2 4.24Å; I83-L95 HydrophobicContact CG1-CB 4.26Å; I83-L95 HydrophobicContact CG1-CD2 4.12Å; I83-L95 HydrophobicContact CG2-CD2 4.18Å; D84-L95 PolarHBondContact N-O 3.19Å
96L87Confident87.5Confident74 Ų7469.7 Ų69.739%0.38737%0.367SS..EExtended strand (participates in β ladder)trans-118.2141.4-176.7-57.3-178.3000109.4D84 Q94D84-L96 WeakPolarHBondContact O-CD2 3.36Å; D84-L96 WeakPolarHBondContact OD1-CD2 3.15Å; Q94-L96 HydrophobicContact CB-CG 4.48Å; Q94-L96 HydrophobicContact CG-CD1 4.45Å; Q94-L96 HydrophobicContact CG-CG 4.32Å
97V85Confident88.4Confident68 Ų6868.1 Ų68.141%0.41235%0.35SS..  trans-92.1129.7168.4-179.90000108.2F10 E99 F210F10-V97 HydrophobicContact CZ-CG2 4.31Å; V97-E99 HydrophobicContact CB-CG 4.45Å; V97-E99 HydrophobicContact CG1-CG 4.38Å; V97-E99 PolarHBondContact O-N 3.24Å; V97-F210 HydrophobicContact CG1-CE1 4.35Å
98E87.1Confident89.3Confident153 Ų15368.1 Ų68.172%0.71535%0.345SS*.  trans-76.568.2174.7-67.5-166.7-175.300111.5Y100 A101 G102E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 2.86Å; E98-A101 HydrophobicContact CB-CB 4.06Å; E98-A101 PolarHBondContact O-N 3.4Å; E98-A101 VanDerWaalsContact O-N 3.17Å; E98-G102 PolarHBondContact O-N 2.92Å
99E88.3Confident89.8Confident26 Ų2673 Ų7312%0.12137%0.368CS..Hα-helixtrans-51.6-46.1-173.8-64.5-65.1179.300113.7V97 A103 E132 R133 F210V97-E99 HydrophobicContact CB-CG 4.45Å; V97-E99 HydrophobicContact CG1-CG 4.38Å; V97-E99 PolarHBondContact O-N 3.24Å; E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 3.49Å; E99-E132 HydrophobicContact CB-CB 3.76Å; E99-E132 HydrophobicContact CB-CG 4.49Å; E99-R133 IonicContact OE1-CZ 2.71Å; E99-R133 IonicContact OE1-NH2 3.89Å; E99-R133 PolarHBondContact OE1-NH2 3.4Å; E99-R133 IonicContact OE2-CZ 2.68Å; E99-R133 IonicContact OE2-NE 3.23Å; E99-R133 PolarHBondContact OE2-NE 3.34Å; E99-R133 IonicContact OE2-NH2 3.12Å; E99-R133 PolarHBondContact OE2-NH2 3.46Å; E99-F210 WeakPolarHBondContact OE2-CE1 3.37Å; E99-F210 WeakPolarHBondContact OE2-CZ 3.49Å
100Y90.6Very high90.6Very high76 Ų7666.9 Ų66.930%0.29834%0.336SS..Hα-helixtrans-66.4-47.1-178.8-177-86.4000111.6E98 A103 Q104 K135 A136 Q139E98-Y100 VanDerWaalsContact C-N 3.31Å; E98-Y100 PolarHBondContact O-N 2.86Å; Y100-A103 PolarHBondContact O-N 2.64Å; Y100-Q104 VanDerWaalsContact O-CB 3.26Å; Y100-Q104 WeakPolarHBondContact O-CB 3.49Å; Y100-Q104 PolarHBondContact O-N 2.69Å; Y100-K135 HydrophobicContact CD2-CB 4.24Å; Y100-K135 HydrophobicContact CE2-CB 4.11Å; Y100-A136 HydrophobicContact CD2-CB 3.91Å; Y100-A136 HydrophobicContact CE2-CB 4.01Å; Y100-A136 HydrophobicContact CG-CB 4.34Å; Y100-Q139 WeakPolarHBondContact OH-CB 3.41Å; Y100-Q139 WeakPolarHBondContact OH-CG 3.32Å
101A91.5Very high91.3Very high39 Ų3966.4 Ų66.432%0.32234%0.335SS..Hα-helixtrans-67.1-47.2-176.300000110.7E98 A103 Q104 E105E98-A101 HydrophobicContact CB-CB 4.06Å; E98-A101 PolarHBondContact O-N 3.4Å; E98-A101 VanDerWaalsContact O-N 3.17Å; A101-A103 VanDerWaalsContact C-N 3.34Å; A101-A103 PolarHBondContact O-N 3.06Å; A101-Q104 PolarHBondContact O-N 3.35Å; A101-E105 WeakPolarHBondContact O-CB 3.48Å; A101-E105 PolarHBondContact O-N 3.11Å
102G91.3Very high92Very high22 Ų2264.5 Ų64.523%0.22733%0.326CS..Hα-helixtrans-60-43.4176.700000112.2E98 E105 V106E98-G102 PolarHBondContact O-N 2.92Å; G102-E105 PolarHBondContact O-N 3.45Å; G102-V106 PolarHBondContact O-N 2.92Å; G102-V106 VanDerWaalsContact O-N 3.16Å
103A93.8Very high92.5Very high0 Ų064.4 Ų64.40%033%0.33CS..Hα-helixtrans-67.1-41.717900000110.9E99 Y100 A101 E105 V106 L107 R133 A136 F180 F210E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 3.49Å; Y100-A103 PolarHBondContact O-N 2.64Å; A101-A103 VanDerWaalsContact C-N 3.34Å; A101-A103 PolarHBondContact O-N 3.06Å; A103-E105 VanDerWaalsContact C-N 3.33Å; A103-E105 PolarHBondContact O-N 3.15Å; A103-V106 PolarHBondContact O-N 2.77Å; A103-L107 VanDerWaalsContact O-CB 3.3Å; A103-L107 WeakPolarHBondContact O-CB 3.47Å; A103-L107 VanDerWaalsContact O-CD1 3.28Å; A103-L107 WeakPolarHBondContact O-CD1 3.46Å; A103-L107 WeakPolarHBondContact O-CG 3.24Å; A103-L107 PolarHBondContact O-N 3.12Å; A103-R133 HydrophobicContact CB-CB 4.33Å; A103-R133 HydrophobicContact CB-CG 4.33Å; A103-A136 HydrophobicContact CB-CB 3.68Å; A103-F180 HydrophobicContact CB-CE1 4.08Å; A103-F180 HydrophobicContact CB-CZ 3.79Å; A103-F210 HydrophobicContact CB-CE2 4.15Å
104Q94.8Very high92.9Very high30 Ų3065.8 Ų65.814%0.1434%0.343CS..Hα-helixtrans-62-40.7177.6-171.5177.846.400111.8Y100 A101 R108 A136 V140Y100-Q104 VanDerWaalsContact O-CB 3.26Å; Y100-Q104 WeakPolarHBondContact O-CB 3.49Å; Y100-Q104 PolarHBondContact O-N 2.69Å; A101-Q104 PolarHBondContact O-N 3.35Å; Q104-R108 VanDerWaalsContact CD-CZ 3.5Å; Q104-R108 VanDerWaalsContact NE2-NH2 3.16Å; Q104-R108 WeakPolarHBondContact O-CB 3.37Å; Q104-R108 VanDerWaalsContact O-CG 3.26Å; Q104-R108 WeakPolarHBondContact O-CG 3.13Å; Q104-R108 PolarHBondContact O-N 2.85Å; Q104-A136 HydrophobicContact CB-CB 4.3Å; Q104-V140 HydrophobicContact CG-CG2 3.93Å
105E95Very high93.4Very high134 Ų13463.5 Ų63.563%0.62633%0.333SS*.Hα-helixtrans-61.8-52178.1-176.3175.2176.100111.8A101 G102 A103 L107 R108 M109A101-E105 WeakPolarHBondContact O-CB 3.48Å; A101-E105 PolarHBondContact O-N 3.11Å; G102-E105 PolarHBondContact O-N 3.45Å; A103-E105 VanDerWaalsContact C-N 3.33Å; A103-E105 PolarHBondContact O-N 3.15Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 3.28Å; E105-R108 PolarHBondContact O-N 3.26Å; E105-M109 PolarHBondContact O-N 3.05Å
106V94.1Very high93.7Very high30 Ų3063.8 Ų63.818%0.18233%0.327CS..Hα-helixtrans-61.5-42.5178.71670000111.7G102 A103 M109 L110 F180 V208G102-V106 PolarHBondContact O-N 2.92Å; G102-V106 VanDerWaalsContact O-N 3.16Å; A103-V106 PolarHBondContact O-N 2.77Å; V106-M109 WeakPolarHBondContact O-CB 3.47Å; V106-M109 PolarHBondContact O-N 3.43Å; V106-L110 PolarHBondContact O-N 3.45Å; V106-F180 HydrophobicContact CG1-CD2 4.47Å; V106-V208 HydrophobicContact CG1-CB 3.96Å; V106-V208 HydrophobicContact CG1-CG1 3.34Å; V106-V208 HydrophobicContact CG1-CG2 3.42Å; V106-V208 VanDerWaalsContact CG1-CG2 3.42Å
107L97.2Very high94.2Very high2 Ų262.8 Ų62.81%0.0132%0.32CS..Hα-helixtrans-66.3-39.9178.7-75.4163000112.2A103 E105 M109 L110 V111 I118 A136 Y137 V140 F180A103-L107 VanDerWaalsContact O-CB 3.3Å; A103-L107 WeakPolarHBondContact O-CB 3.47Å; A103-L107 VanDerWaalsContact O-CD1 3.28Å; A103-L107 WeakPolarHBondContact O-CD1 3.46Å; A103-L107 WeakPolarHBondContact O-CG 3.24Å; A103-L107 PolarHBondContact O-N 3.12Å; E105-L107 VanDerWaalsContact C-N 3.34Å; E105-L107 PolarHBondContact O-N 3.28Å; L107-M109 VanDerWaalsContact C-N 3.31Å; L107-L110 PolarHBondContact O-N 3.21Å; L107-V111 WeakPolarHBondContact O-CG2 3.36Å; L107-V111 PolarHBondContact O-N 3.22Å; L107-V111 VanDerWaalsContact O-N 3.14Å; L107-I118 HydrophobicContact CD2-CG2 4.25Å; L107-A136 HydrophobicContact CD1-CB 4.49Å; L107-Y137 HydrophobicContact CD1-CD2 4.39Å; L107-Y137 HydrophobicContact CD2-CD2 3.8Å; L107-Y137 HydrophobicContact CD2-CE2 4.48Å; L107-V140 HydrophobicContact CB-CB 4.19Å; L107-V140 HydrophobicContact CB-CG1 4.08Å; L107-V140 HydrophobicContact CB-CG2 3.91Å; L107-V140 HydrophobicContact CD1-CG2 4.39Å; L107-F180 HydrophobicContact CD1-CD1 4.13Å; L107-F180 HydrophobicContact CD1-CE1 4.2Å; L107-F180 HydrophobicContact CD2-CB 3.98Å; L107-F180 HydrophobicContact CD2-CD1 3.94Å; L107-F180 HydrophobicContact CD2-CG 4.1Å; L107-F180 HydrophobicContact CG-CD1 4.13Å; L107-F180 HydrophobicContact CG-CE1 4.49Å; L107-F180 HydrophobicContact CG-CG 4.45Å
108R97.4Very high94.9Very high78 Ų7859.8 Ų59.829%0.29430%0.302SS..Hα-helixtrans-62.1-41.2173.1-77.9177.4170.7154.1-2.4111.2Q104 E105 L110 V111 D112 V140 E143 Y144Q104-R108 VanDerWaalsContact CD-CZ 3.5Å; Q104-R108 VanDerWaalsContact NE2-NH2 3.16Å; Q104-R108 WeakPolarHBondContact O-CB 3.37Å; Q104-R108 VanDerWaalsContact O-CG 3.26Å; Q104-R108 WeakPolarHBondContact O-CG 3.13Å; Q104-R108 PolarHBondContact O-N 2.85Å; E105-R108 PolarHBondContact O-N 3.26Å; R108-L110 VanDerWaalsContact C-N 3.34Å; R108-L110 PolarHBondContact O-N 2.97Å; R108-V111 WeakPolarHBondContact O-CB 3.36Å; R108-V111 PolarHBondContact O-N 2.92Å; R108-V111 VanDerWaalsContact O-N 3.1Å; R108-D112 VanDerWaalsContact O-CG 3.29Å; R108-D112 PolarHBondContact O-N 2.78Å; R108-V140 HydrophobicContact CG-CG2 4.36Å; R108-E143 IonicContact CZ-OE1 2.68Å; R108-E143 IonicContact NE-OE1 2.74Å; R108-E143 IonicContact NH2-OE1 3.74Å; R108-E143 PolarHBondContact NH2-OE1 3Å; R108-E143 IonicContact NH2-OE2 2.94Å; R108-E143 PolarHBondContact NH2-OE2 3.23Å; R108-Y144 HydrophobicContact CG-CE2 3.91Å
109M96.7Very high95.4Very high102 Ų10252.5 Ų52.550%0.50227%0.268SS..Hα-helixtrans-58-44.4175.4-171.7-165.3-5300112.1E105 V106 L107 V111 D112 K113E105-M109 PolarHBondContact O-N 3.05Å; V106-M109 WeakPolarHBondContact O-CB 3.47Å; V106-M109 PolarHBondContact O-N 3.43Å; L107-M109 VanDerWaalsContact C-N 3.31Å; M109-V111 VanDerWaalsContact C-N 3.32Å; M109-V111 PolarHBondContact O-N 3.28Å; M109-D112 PolarHBondContact O-N 3.06Å; M109-K113 VanDerWaalsContact O-CG 3.3Å; M109-K113 WeakPolarHBondContact O-CG 3.48Å; M109-K113 PolarHBondContact O-N 3.44Å
110L97.3Very high95.8Very high17 Ų1751.3 Ų51.39%0.08926%0.262CS..Hα-helixtrans-61.2-41175.3-69.1178.2000111.9V106 L107 R108 K113 G114 H115 I118 A178 V208V106-L110 PolarHBondContact O-N 3.45Å; L107-L110 PolarHBondContact O-N 3.21Å; R108-L110 VanDerWaalsContact C-N 3.34Å; R108-L110 PolarHBondContact O-N 2.97Å; L110-K113 PolarHBondContact O-N 3.08Å; L110-G114 PolarHBondContact O-N 3.46Å; L110-H115 HydrophobicContact CB-CB 4.46Å; L110-H115 WeakPolarHBondContact O-CB 3.47Å; L110-H115 PolarHBondContact O-CD2 3.19Å; L110-H115 VanDerWaalsContact O-CD2 3.29Å; L110-H115 PolarHBondContact O-N 2.62Å; L110-I118 HydrophobicContact CB-CD1 3.89Å; L110-I118 HydrophobicContact CD1-CD1 4.46Å; L110-I118 HydrophobicContact CD1-CG2 3.98Å; L110-A178 HydrophobicContact CD1-CB 4.09Å; L110-A178 HydrophobicContact CD2-CB 4.13Å; L110-V208 HydrophobicContact CD1-CG1 3.84Å; L110-V208 HydrophobicContact CG-CG1 4.4Å
111V97.6Very high96Very high13 Ų1347.7 Ų47.78%0.07925%0.248CC..Hα-helixtrans-64.8-43.1176.8176.90000111.3L107 R108 M109 K113 G114 I118 V140 Y144 L146L107-V111 WeakPolarHBondContact O-CG2 3.36Å; L107-V111 PolarHBondContact O-N 3.22Å; L107-V111 VanDerWaalsContact O-N 3.14Å; R108-V111 WeakPolarHBondContact O-CB 3.36Å; R108-V111 PolarHBondContact O-N 2.92Å; R108-V111 VanDerWaalsContact O-N 3.1Å; M109-V111 VanDerWaalsContact C-N 3.32Å; M109-V111 PolarHBondContact O-N 3.28Å; V111-K113 VanDerWaalsContact C-N 3.25Å; V111-K113 PolarHBondContact O-N 2.83Å; V111-G114 WeakPolarHBondContact O-CA 3.45Å; V111-G114 PolarHBondContact O-N 2.63Å; V111-I118 HydrophobicContact CG2-CD1 3.86Å; V111-V140 HydrophobicContact CG2-CG1 4.02Å; V111-Y144 HydrophobicContact CB-CD1 4.49Å; V111-Y144 HydrophobicContact CG1-CD1 3.5Å; V111-Y144 VanDerWaalsContact CG1-CD1 3.5Å; V111-Y144 HydrophobicContact CG1-CE1 3.92Å; V111-Y144 HydrophobicContact CG1-CG 3.93Å; V111-L146 HydrophobicContact CG1-CD2 4.43Å; V111-L146 HydrophobicContact CG2-CD1 3.72Å; V111-L146 HydrophobicContact CG2-CD2 4.23Å
112D96.7Very high96Very high124 Ų12448.7 Ų48.766%0.66325%0.245SC*.Hα-helixtrans-66.3-28.6178.5-68.9-18.6000112.2R108 M109 G114R108-D112 VanDerWaalsContact O-CG 3.29Å; R108-D112 PolarHBondContact O-N 2.78Å; M109-D112 PolarHBondContact O-N 3.06Å; D112-G114 PolarHBondContact O-N 2.88Å
113K96.1Very high95.8Very high167 Ų16748.7 Ų48.773%0.72624%0.239SC*.THydrogen-bonded Turntrans-74.8-2.8169.5-69.5-73.6-178.5-177.30113.8M109 L110 V111M109-K113 VanDerWaalsContact O-CG 3.3Å; M109-K113 WeakPolarHBondContact O-CG 3.48Å; M109-K113 PolarHBondContact O-N 3.44Å; L110-K113 PolarHBondContact O-N 3.08Å; V111-K113 VanDerWaalsContact C-N 3.25Å; V111-K113 PolarHBondContact O-N 2.83Å
114G96.3Very high95Very high54 Ų5451.9 Ų51.956%0.55726%0.262SS*.THydrogen-bonded Turntrans98.42.4174.300000115L110 V111 D112 R116L110-G114 PolarHBondContact O-N 3.46Å; V111-G114 WeakPolarHBondContact O-CA 3.45Å; V111-G114 PolarHBondContact O-N 2.63Å; D112-G114 PolarHBondContact O-N 2.88Å; G114-R116 PolarHBondContact O-N 3.38Å
115H98Very high93.3Very high27 Ų2755.7 Ų55.713%0.12528%0.279CS..  trans-70.4125.9177.2-63.3-73.7000111L110 I118 T177 A178 S206L110-H115 HydrophobicContact CB-CB 4.46Å; L110-H115 WeakPolarHBondContact O-CB 3.47Å; L110-H115 PolarHBondContact O-CD2 3.19Å; L110-H115 VanDerWaalsContact O-CD2 3.29Å; L110-H115 PolarHBondContact O-N 2.62Å; H115-I118 HydrophobicContact CB-CD1 4.16Å; H115-I118 HydrophobicContact CB-CG1 3.91Å; H115-T177 PolarHBondContact CE1-O 2.78Å; H115-T177 WeakPolarHBondContact ND1-CB 3.22Å; H115-T177 PolarHBondContact ND1-O 3.21Å; H115-T177 PolarHBondContact ND1-OG1 2.97Å; H115-T177 VanDerWaalsContact ND1-OG1 3.15Å; H115-A178 HydrophobicContact CB-CB 4.01Å; H115-S206 PolarHBondContact CE1-OG 2.77Å; H115-S206 PolarHBondContact NE2-OG 2.84Å
116R96.8Very high91.2Very high104 Ų10451.9 Ų51.939%0.39228%0.277SS..  trans-111.1-26.4176.8-59.8-61.3-65.7-170.24.3113.1G114 Y144 K145 L146 P147G114-R116 PolarHBondContact O-N 3.38Å; R116-Y144 PolarHBondContact NH2-O 2.86Å; R116-K145 PolarHBondContact NH2-O 3.4Å; R116-L146 VanDerWaalsContact CZ-CD2 3.41Å; R116-P147 WeakPolarHBondContact O-CD 3.46Å
117H97.8Very high89.1Confident52 Ų5258.4 Ų58.424%0.24130%0.299CS..SBendtrans-110.989.5179-64.1-75.5000108.8Y152 K175 T177 A178H117-Y152 HydrophobicContact CB-CE2 4.31Å; H117-Y152 AromaticContact ND1-CE2 3.93Å; H117-Y152 AromaticContact ND1-CZ 3.72Å; H117-Y152 PolarHBondContact ND1-OH 2.89Å; H117-K175 HydrophobicContact CB-CB 4.36Å; H117-K175 WeakPolarHBondContact CB-O 3.31Å; H117-T177 PolarHBondContact O-N 3.1Å; H117-T177 PolarHBondContact O-OG1 2.9Å; H117-A178 PolarHBondContact O-N 3.2Å
118I97.9Very high86.9Confident5 Ų560.3 Ų60.33%0.02631%0.306CS..EExtended strand (participates in β ladder)trans-108.1116.3-173.1-54.3176.1000108.5L107 L110 V111 H115 Y137 L146 A178L107-I118 HydrophobicContact CD2-CG2 4.25Å; L110-I118 HydrophobicContact CB-CD1 3.89Å; L110-I118 HydrophobicContact CD1-CD1 4.46Å; L110-I118 HydrophobicContact CD1-CG2 3.98Å; V111-I118 HydrophobicContact CG2-CD1 3.86Å; H115-I118 HydrophobicContact CB-CD1 4.16Å; H115-I118 HydrophobicContact CB-CG1 3.91Å; I118-Y137 HydrophobicContact CG2-CE2 4.26Å; I118-Y137 WeakPolarHBondContact O-CE2 3.39Å; I118-Y137 PolarHBondContact O-OH 3.08Å; I118-L146 HydrophobicContact CD1-CD1 4.06Å; I118-A178 CarbonylContact C-O 3.58Å; I118-A178 WeakPolarHBondContact CA-O 3.44Å; I118-A178 HydrophobicContact CG1-CB 4.4Å; I118-A178 HydrophobicContact CG2-CB 4.43Å
119G97.7Very high84.7Confident0 Ų062.2 Ų62.20%032%0.319CS..EExtended strand (participates in β ladder)trans-80.1158.4171.900000111.5Y152 A178 I179 F180G119-Y152 CarbonylContact C-O 3.55Å; G119-Y152 WeakPolarHBondContact CA-O 3.07Å; G119-A178 PolarHBondContact N-O 3.41Å; G119-I179 WeakPolarHBondContact O-CA 3.48Å; G119-F180 PolarHBondContact O-N 3.47Å
120M96.8Very high83Confident1 Ų157.8 Ų57.81%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-130.3128173.4-174.8-178.6-175.800110.1K122 R133 V134 Y137 Y152 I153 C154 F180M120-K122 HydrophobicContact CE-CB 4.1Å; M120-R133 HydrophobicContact CE-CB 4.18Å; M120-V134 HydrophobicContact CE-CB 4.23Å; M120-V134 HydrophobicContact CE-CG2 3.55Å; M120-V134 HydrophobicContact SD-CB 4.44Å; M120-V134 HydrophobicContact SD-CG2 4.07Å; M120-Y137 HydrophobicContact CB-CD2 3.89Å; M120-Y137 HydrophobicContact CB-CE2 3.84Å; M120-Y137 HydrophobicContact CB-CG 4.27Å; M120-Y137 HydrophobicContact CG-CD2 4.33Å; M120-Y137 HydrophobicContact CG-CG 4.47Å; M120-Y137 HydrophobicContact SD-CD1 4.12Å; M120-Y137 HydrophobicContact SD-CD2 4.1Å; M120-Y137 HydrophobicContact SD-CG 3.67Å; M120-Y152 PolarHBondContact N-O 3.35Å; M120-I153 HydrophobicContact CB-CG1 4.3Å; M120-I153 WeakPolarHBondContact O-CA 3.31Å; M120-C154 PolarHBondContact O-N 2.76Å; M120-F180 CarbonylContact C-O 3.53Å; M120-F180 VanDerWaalsContact CA-O 3.28Å; M120-F180 WeakPolarHBondContact CA-O 3.37Å; M120-F180 HydrophobicContact CE-CD1 4.14Å; M120-F180 HydrophobicContact CE-CE1 3.96Å; M120-F180 HydrophobicContact CG-CD1 4.15Å; M120-F180 HydrophobicContact SD-CD1 4.43Å
121L95.9Very high81.8Confident0 Ų059.4 Ų59.40%031%0.307CS..EExtended strand (participates in β ladder)trans-97.4117.9165.4-44.3-176.5000107.4C154 A166 A167 V170 I179 F180 G182 M186 C190L121-C154 WeakPolarHBondContact CA-O 3.28Å; L121-A166 HydrophobicContact CB-CB 4.4Å; L121-A166 HydrophobicContact CD2-CB 3.9Å; L121-A167 HydrophobicContact CD1-CB 3.94Å; L121-A167 HydrophobicContact CD2-CB 4.48Å; L121-V170 HydrophobicContact CD2-CB 4.28Å; L121-V170 HydrophobicContact CD2-CG2 3.59Å; L121-I179 HydrophobicContact CD1-CG2 4.07Å; L121-I179 HydrophobicContact CD2-CG2 4.03Å; L121-I179 HydrophobicContact CG-CG2 3.63Å; L121-F180 PolarHBondContact N-O 3.49Å; L121-G182 VanDerWaalsContact O-CA 3.32Å; L121-G182 WeakPolarHBondContact O-CA 3.38Å; L121-G182 PolarHBondContact O-N 2.85Å; L121-M186 HydrophobicContact CB-CE 3.57Å; L121-M186 HydrophobicContact CB-SD 4.38Å; L121-C190 HydrophobicContact CD1-CB 3.95Å
122K91.7Very high81.3Confident60 Ų6061.8 Ų61.826%0.26132%0.318SS..EExtended strand (participates in β ladder)trans-116.5169.7179.171.2162.7-160.8165.70111.4M120 V134 I153 C154 S155 G156M120-K122 HydrophobicContact CE-CB 4.1Å; K122-V134 HydrophobicContact CB-CG2 4.05Å; K122-V134 HydrophobicContact CD-CG2 3.87Å; K122-I153 HydrophobicContact CD-CG2 3.89Å; K122-I153 HydrophobicContact CG-CG2 3.92Å; K122-C154 PolarHBondContact N-O 2.67Å; K122-S155 WeakPolarHBondContact CE-OG 3.45Å; K122-S155 CarbonylContact O-C 3.45Å; K122-S155 VanDerWaalsContact O-CA 3.26Å; K122-S155 WeakPolarHBondContact O-CA 3.26Å; K122-G156 PolarHBondContact O-N 2.8Å
123E85.4Confident81Confident22 Ų2256.2 Ų56.210%0.10329%0.287CS..EExtended strand (participates in β ladder)trans-68.6147.117576.4-71.4176.800113.1Y128 L130 G156 L158E123-Y128 VanDerWaalsContact CG-O 3.25Å; E123-Y128 WeakPolarHBondContact CG-O 3.3Å; E123-L130 PolarHBondContact OE1-N 2.85Å; E123-G156 CarbonylContact C-O 3.55Å; E123-G156 WeakPolarHBondContact CA-O 3.38Å; E123-L158 HydrophobicContact CB-CD1 4.11Å; E123-L158 HydrophobicContact CB-CD2 3.89Å; E123-L158 HydrophobicContact CB-CG 3.78Å
124S77.9Confident80.7Confident68 Ų6849 Ų4948%0.47626%0.257SS..SBendtrans-91.3-19.8176.262.60000113.7G156S124-G156 PolarHBondContact N-O 2.92Å; S124-G156 PolarHBondContact OG-O 3.43Å
125Q59.2Low80.4Confident109 Ų10951.5 Ų51.551%0.50925%0.253SS..  trans-106128.7-169.4-70.1-116.61.400112.2Y127Q125-Y127 VanDerWaalsContact C-N 3.29Å; Q125-Y127 PolarHBondContact O-N 3.33Å
126G50.8Low80.2Confident55 Ų5550.2 Ų50.257%0.56725%0.247SC*.THydrogen-bonded Turntrans-77.84.7-17800000116.7
127Y50.8Low80.1Confident167 Ų16745.4 Ų45.466%0.65523%0.229SC*.THydrogen-bonded Turntrans-74.4-42.6171.4-70.9-80.6000110.5R85 Q125 Q129R85-Y127 PolarHBondContact NH2-O 2.9Å; R85-Y127 VanDerWaalsContact NH2-O 3.11Å; Q125-Y127 VanDerWaalsContact C-N 3.29Å; Q125-Y127 PolarHBondContact O-N 3.33Å; Y127-Q129 PolarHBondContact O-N 2.99Å
128Y49.8Very low80Confident42 Ų4250.2 Ų50.217%0.16525%0.245CC..SBendtrans-93.875.3164.8-82.9-99.1000109.5F11 H36 P61 R85 E123 L130F11-Y128 VanDerWaalsContact CE2-OH 3.27Å; F11-Y128 WeakPolarHBondContact CE2-OH 3.45Å; F11-Y128 WeakPolarHBondContact CZ-OH 3.44Å; H36-Y128 AromaticContact CD2-CE2 3.57Å; H36-Y128 AromaticContact NE2-CE2 3.68Å; P61-Y128 HydrophobicContact CB-CE2 4.35Å; R85-Y128 VanDerWaalsContact NH1-C 3.35Å; E123-Y128 VanDerWaalsContact CG-O 3.25Å; E123-Y128 WeakPolarHBondContact CG-O 3.3Å; Y128-L130 PolarHBondContact O-N 3.43Å
129Q52Low79.8Confident118 Ų11853.8 Ų53.855%0.55126%0.261SS*.  trans-66.886.2165.1-80.9-174.140.200109.3R85 Y127 T131R85-Q129 VanDerWaalsContact NH1-N 3.13Å; R85-Q129 PolarHBondContact NH1-O 3.05Å; Y127-Q129 PolarHBondContact O-N 2.99Å; Q129-T131 HydrophobicContact CB-CG2 3.87Å; Q129-T131 HydrophobicContact CG-CG2 4.39Å; Q129-T131 PolarHBondContact O-N 2.9Å
130L60Low79.8Confident8 Ų853.9 Ų53.94%0.04226%0.262CS..  trans-76.351.2169.4-67.5166.4000108.2E123 Y128 E132 R133 V134 L158E123-L130 PolarHBondContact OE1-N 2.85Å; Y128-L130 PolarHBondContact O-N 3.43Å; L130-E132 PolarHBondContact O-N 3.27Å; L130-E132 VanDerWaalsContact O-N 3.07Å; L130-R133 PolarHBondContact O-N 2.86Å; L130-V134 PolarHBondContact O-N 2.86Å; L130-L158 HydrophobicContact CD1-CD1 3.83Å; L130-L158 HydrophobicContact CD1-CD2 4.25Å
131T72.9Confident79.7Confident51 Ų5154.7 Ų54.731%0.31327%0.267SS..Hα-helixtrans-58.4-28.3-177.548.90000111.1Q129 V134 K135Q129-T131 HydrophobicContact CB-CG2 3.87Å; Q129-T131 HydrophobicContact CG-CG2 4.39Å; Q129-T131 PolarHBondContact O-N 2.9Å; T131-V134 PolarHBondContact O-N 2.74Å; T131-K135 WeakPolarHBondContact O-CB 3.39Å; T131-K135 WeakPolarHBondContact O-CD 3.48Å; T131-K135 WeakPolarHBondContact O-CG 3.28Å; T131-K135 PolarHBondContact O-N 3.25Å
132E85.8Confident79.7Confident63 Ų6362.5 Ų62.529%0.29430%0.301SS..Hα-helixtrans-66.8-44.6-179.6-61.4-42.4111.800112.7E99 L130 V134 K135 A136E99-E132 HydrophobicContact CB-CB 3.76Å; E99-E132 HydrophobicContact CB-CG 4.49Å; L130-E132 PolarHBondContact O-N 3.27Å; L130-E132 VanDerWaalsContact O-N 3.07Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.5Å; E132-K135 PolarHBondContact O-N 2.87Å; E132-K135 WeakPolarHBondContact OE1-CD 3.46Å; E132-K135 WeakPolarHBondContact OE1-CE 3.33Å; E132-K135 IonicContact OE1-NZ 2.71Å; E132-K135 PolarHBondContact OE1-NZ 3.12Å; E132-A136 WeakPolarHBondContact O-CB 3.35Å; E132-A136 PolarHBondContact O-N 2.83Å
133R90.6Very high80Confident8 Ų863.4 Ų63.43%0.0331%0.306CS..Hα-helixtrans-62.3-42.3176.9-60.8-178.4-168.1175.31.2110.7E99 A103 M120 L130 A136 Y137 F180 G182 F210 D211E99-R133 IonicContact OE1-CZ 2.71Å; E99-R133 IonicContact OE1-NH2 3.89Å; E99-R133 PolarHBondContact OE1-NH2 3.4Å; E99-R133 IonicContact OE2-CZ 2.68Å; E99-R133 IonicContact OE2-NE 3.23Å; E99-R133 PolarHBondContact OE2-NE 3.34Å; E99-R133 IonicContact OE2-NH2 3.12Å; E99-R133 PolarHBondContact OE2-NH2 3.46Å; A103-R133 HydrophobicContact CB-CB 4.33Å; A103-R133 HydrophobicContact CB-CG 4.33Å; M120-R133 HydrophobicContact CE-CB 4.18Å; L130-R133 PolarHBondContact O-N 2.86Å; R133-A136 PolarHBondContact O-N 2.92Å; R133-Y137 PolarHBondContact O-N 3Å; R133-F180 HydrophobicContact CB-CE1 4.29Å; R133-F180 HydrophobicContact CB-CZ 4.37Å; R133-G182 PolarHBondContact NH1-O 3.1Å; R133-F210 VanDerWaalsContact NH2-CE1 3.31Å; R133-D211 IonicContact CZ-OD1 2.66Å; R133-D211 IonicContact NH1-OD1 2.79Å; R133-D211 PolarHBondContact NH1-OD1 2.87Å; R133-D211 IonicContact NH1-OD2 3.11Å; R133-D211 IonicContact NH2-OD1 3.91Å; R133-D211 PolarHBondContact NH2-OD1 2.68Å
134V90.5Very high80.5Confident15 Ų1565.7 Ų65.79%0.09131%0.314CS..Hα-helixtrans-70.1-37.2177.2-1800000112.2M120 K122 L130 T131 E132 Y137 R138M120-V134 HydrophobicContact CE-CB 4.23Å; M120-V134 HydrophobicContact CE-CG2 3.55Å; M120-V134 HydrophobicContact SD-CB 4.44Å; M120-V134 HydrophobicContact SD-CG2 4.07Å; K122-V134 HydrophobicContact CB-CG2 4.05Å; K122-V134 HydrophobicContact CD-CG2 3.87Å; L130-V134 PolarHBondContact O-N 2.86Å; T131-V134 PolarHBondContact O-N 2.74Å; E132-V134 VanDerWaalsContact C-N 3.33Å; E132-V134 PolarHBondContact O-N 2.5Å; V134-Y137 PolarHBondContact O-N 3.48Å; V134-R138 WeakPolarHBondContact O-CG 3.33Å; V134-R138 PolarHBondContact O-N 2.92Å
135K91.1Very high81.4Confident106 Ų10671 Ų7146%0.46133%0.329SS..Hα-helixtrans-64.6-45.2174.7-78.9166.9-174.8173.50110.6Y100 T131 E132 Y137 R138 Q139Y100-K135 HydrophobicContact CD2-CB 4.24Å; Y100-K135 HydrophobicContact CE2-CB 4.11Å; T131-K135 WeakPolarHBondContact O-CB 3.39Å; T131-K135 WeakPolarHBondContact O-CD 3.48Å; T131-K135 WeakPolarHBondContact O-CG 3.28Å; T131-K135 PolarHBondContact O-N 3.25Å; E132-K135 PolarHBondContact O-N 2.87Å; E132-K135 WeakPolarHBondContact OE1-CD 3.46Å; E132-K135 WeakPolarHBondContact OE1-CE 3.33Å; E132-K135 IonicContact OE1-NZ 2.71Å; E132-K135 PolarHBondContact OE1-NZ 3.12Å; K135-Y137 PolarHBondContact O-N 3.43Å; K135-R138 PolarHBondContact O-N 3.39Å; K135-Q139 WeakPolarHBondContact O-CB 3.41Å; K135-Q139 PolarHBondContact O-N 3.02Å
136A93.2Very high83.2Confident0 Ų066.5 Ų66.50%031%0.308CS..Hα-helixtrans-59.4-45.9175.700000111.2Y100 A103 Q104 L107 E132 R133 R138 Q139 V140Y100-A136 HydrophobicContact CD2-CB 3.91Å; Y100-A136 HydrophobicContact CE2-CB 4.01Å; Y100-A136 HydrophobicContact CG-CB 4.34Å; A103-A136 HydrophobicContact CB-CB 3.68Å; Q104-A136 HydrophobicContact CB-CB 4.3Å; L107-A136 HydrophobicContact CD1-CB 4.49Å; E132-A136 WeakPolarHBondContact O-CB 3.35Å; E132-A136 PolarHBondContact O-N 2.83Å; R133-A136 PolarHBondContact O-N 2.92Å; A136-R138 PolarHBondContact O-N 3.11Å; A136-Q139 PolarHBondContact O-N 3.46Å; A136-V140 WeakPolarHBondContact O-CG2 3.26Å; A136-V140 PolarHBondContact O-N 3.25Å
137Y95.1Very high85.2Confident4 Ų466.5 Ų66.52%0.01630%0.298CS..Hα-helixtrans-53.5-53.1172.1177.3-89.5000112.6L107 I118 M120 R133 V134 K135 Q139 V140 V141 F148 I153L107-Y137 HydrophobicContact CD1-CD2 4.39Å; L107-Y137 HydrophobicContact CD2-CD2 3.8Å; L107-Y137 HydrophobicContact CD2-CE2 4.48Å; I118-Y137 HydrophobicContact CG2-CE2 4.26Å; I118-Y137 WeakPolarHBondContact O-CE2 3.39Å; I118-Y137 PolarHBondContact O-OH 3.08Å; M120-Y137 HydrophobicContact CB-CD2 3.89Å; M120-Y137 HydrophobicContact CB-CE2 3.84Å; M120-Y137 HydrophobicContact CB-CG 4.27Å; M120-Y137 HydrophobicContact CG-CD2 4.33Å; M120-Y137 HydrophobicContact CG-CG 4.47Å; M120-Y137 HydrophobicContact SD-CD1 4.12Å; M120-Y137 HydrophobicContact SD-CD2 4.1Å; M120-Y137 HydrophobicContact SD-CG 3.67Å; R133-Y137 PolarHBondContact O-N 3Å; V134-Y137 PolarHBondContact O-N 3.48Å; K135-Y137 PolarHBondContact O-N 3.43Å; Y137-Q139 VanDerWaalsContact C-N 3.3Å; Y137-Q139 PolarHBondContact O-N 3.46Å; Y137-V140 PolarHBondContact O-N 2.96Å; Y137-V141 HydrophobicContact CD1-CG2 4.21Å; Y137-V141 HydrophobicContact CE1-CG2 3.77Å; Y137-V141 HydrophobicContact CE2-CG2 4.3Å; Y137-V141 VanDerWaalsContact O-CG2 3.3Å; Y137-V141 WeakPolarHBondContact O-CG2 3.33Å; Y137-V141 PolarHBondContact O-N 3.25Å; Y137-F148 HydrophobicContact CE1-CD2 4.16Å; Y137-F148 AromaticContact CE1-CE2 3.91Å; Y137-F148 HydrophobicContact CE1-CE2 3.91Å; Y137-I153 HydrophobicContact CD1-CD1 4.1Å; Y137-I153 HydrophobicContact CE1-CD1 3.83Å; Y137-I153 HydrophobicContact CE1-CG1 3.98Å
138R94Very high87.2Confident153 Ų15363.3 Ų63.358%0.57729%0.288SS*.Hα-helixtrans-62.7-37.3179.3-73177.4173.1-175.5-2.8112.4V134 K135 A136 F142V134-R138 WeakPolarHBondContact O-CG 3.33Å; V134-R138 PolarHBondContact O-N 2.92Å; K135-R138 PolarHBondContact O-N 3.39Å; A136-R138 PolarHBondContact O-N 3.11Å; R138-F142 WeakPolarHBondContact O-CB 3.15Å; R138-F142 PolarHBondContact O-N 2.94Å
139Q95Very high89.3Confident80 Ų8064.4 Ų64.437%0.37430%0.295SS..Hα-helixtrans-64.6-47.9177.4-17667.815.100111.1Y100 K135 A136 Y137 V141 F142 E143Y100-Q139 WeakPolarHBondContact OH-CB 3.41Å; Y100-Q139 WeakPolarHBondContact OH-CG 3.32Å; K135-Q139 WeakPolarHBondContact O-CB 3.41Å; K135-Q139 PolarHBondContact O-N 3.02Å; A136-Q139 PolarHBondContact O-N 3.46Å; Y137-Q139 VanDerWaalsContact C-N 3.3Å; Y137-Q139 PolarHBondContact O-N 3.46Å; Q139-V141 VanDerWaalsContact C-N 3.35Å; Q139-V141 PolarHBondContact O-N 2.72Å; Q139-F142 PolarHBondContact O-N 2.86Å; Q139-E143 VanDerWaalsContact O-CB 3.24Å; Q139-E143 WeakPolarHBondContact O-CB 3.37Å; Q139-E143 PolarHBondContact O-N 2.69Å
140V96.9Very high91.1Very high1 Ų167.1 Ų67.11%0.00631%0.307CS..Hα-helixtrans-63.9-41.6179.2172.60000111Q104 L107 R108 V111 A136 Y137 F142 E143 Y144 L146Q104-V140 HydrophobicContact CG-CG2 3.93Å; L107-V140 HydrophobicContact CB-CB 4.19Å; L107-V140 HydrophobicContact CB-CG1 4.08Å; L107-V140 HydrophobicContact CB-CG2 3.91Å; L107-V140 HydrophobicContact CD1-CG2 4.39Å; R108-V140 HydrophobicContact CG-CG2 4.36Å; V111-V140 HydrophobicContact CG2-CG1 4.02Å; A136-V140 WeakPolarHBondContact O-CG2 3.26Å; A136-V140 PolarHBondContact O-N 3.25Å; Y137-V140 PolarHBondContact O-N 2.96Å; V140-F142 VanDerWaalsContact C-N 3.3Å; V140-F142 PolarHBondContact O-N 2.76Å; V140-E143 PolarHBondContact O-N 3.21Å; V140-Y144 HydrophobicContact CG1-CD2 3.91Å; V140-Y144 HydrophobicContact CG1-CE2 4.35Å; V140-Y144 PolarHBondContact O-N 2.88Å; V140-L146 HydrophobicContact CG1-CD1 4.4Å
141V95.7Very high92.7Very high19 Ų1969.3 Ų69.312%0.11532%0.323CS..Hα-helixtrans-56.1-45.3173.7166.60000111.3Y137 Q139 K145 L146 F148Y137-V141 HydrophobicContact CD1-CG2 4.21Å; Y137-V141 HydrophobicContact CE1-CG2 3.77Å; Y137-V141 HydrophobicContact CE2-CG2 4.3Å; Y137-V141 VanDerWaalsContact O-CG2 3.3Å; Y137-V141 WeakPolarHBondContact O-CG2 3.33Å; Y137-V141 PolarHBondContact O-N 3.25Å; Q139-V141 VanDerWaalsContact C-N 3.35Å; Q139-V141 PolarHBondContact O-N 2.72Å; V141-K145 WeakPolarHBondContact O-CA 3.5Å; V141-K145 PolarHBondContact O-N 3.43Å; V141-L146 HydrophobicContact CG1-CB 4.37Å; V141-L146 HydrophobicContact CG2-CB 4.43Å; V141-L146 HydrophobicContact CG2-CD1 4.3Å; V141-L146 PolarHBondContact O-N 2.79Å; V141-F148 HydrophobicContact CG1-CB 3.84Å; V141-F148 HydrophobicContact CG1-CD2 4.38Å; V141-F148 HydrophobicContact CG1-CG 4.31Å
142F95.9Very high93.8Very high163 Ų16366.9 Ų66.972%0.71531%0.308SS*.Hα-helixtrans-68.4-49.6178177.9-99.2000112.6R138 Q139 V140 Y144 K145R138-F142 WeakPolarHBondContact O-CB 3.15Å; R138-F142 PolarHBondContact O-N 2.94Å; Q139-F142 PolarHBondContact O-N 2.86Å; V140-F142 VanDerWaalsContact C-N 3.3Å; V140-F142 PolarHBondContact O-N 2.76Å; F142-Y144 PolarHBondContact O-N 3.28Å; F142-K145 PolarHBondContact O-N 3.47Å
143E96.8Very high94.3Very high79 Ų7965.3 Ų65.337%0.36930%0.301SS..Hα-helixtrans-59.3-45.4-176.6-176.1177.6164.400111.8R108 Q139 V140R108-E143 IonicContact CZ-OE1 2.68Å; R108-E143 IonicContact NE-OE1 2.74Å; R108-E143 IonicContact NH2-OE1 3.74Å; R108-E143 PolarHBondContact NH2-OE1 3Å; R108-E143 IonicContact NH2-OE2 2.94Å; R108-E143 PolarHBondContact NH2-OE2 3.23Å; Q139-E143 VanDerWaalsContact O-CB 3.24Å; Q139-E143 WeakPolarHBondContact O-CB 3.37Å; Q139-E143 PolarHBondContact O-N 2.69Å; V140-E143 PolarHBondContact O-N 3.21Å
144Y96.9Very high94.5Very high70 Ų7065.6 Ų65.628%0.27531%0.305SS..THydrogen-bonded Turntrans-94.14.5-178.1-71.1-97.5000114R108 V111 R116 V140 F142 L146R108-Y144 HydrophobicContact CG-CE2 3.91Å; V111-Y144 HydrophobicContact CB-CD1 4.49Å; V111-Y144 HydrophobicContact CG1-CD1 3.5Å; V111-Y144 VanDerWaalsContact CG1-CD1 3.5Å; V111-Y144 HydrophobicContact CG1-CE1 3.92Å; V111-Y144 HydrophobicContact CG1-CG 3.93Å; R116-Y144 PolarHBondContact NH2-O 2.86Å; V140-Y144 HydrophobicContact CG1-CD2 3.91Å; V140-Y144 HydrophobicContact CG1-CE2 4.35Å; V140-Y144 PolarHBondContact O-N 2.88Å; F142-Y144 PolarHBondContact O-N 3.28Å; Y144-L146 VanDerWaalsContact C-N 3.28Å; Y144-L146 PolarHBondContact O-N 2.89Å
145K96.7Very high94.6Very high180 Ų18068 Ų6878%0.78332%0.323SS*.THydrogen-bonded Turntrans50.948.5-177.9-55.6177.1-177.1176.10111.4R116 V141 F142R116-K145 PolarHBondContact NH2-O 3.4Å; V141-K145 WeakPolarHBondContact O-CA 3.5Å; V141-K145 PolarHBondContact O-N 3.43Å; F142-K145 PolarHBondContact O-N 3.47Å
146L96.5Very high94.5Very high15 Ų1563.4 Ų63.48%0.07931%0.305CS..  trans-74.3144.9178.3-54.5-176.3000109.9V111 R116 I118 V140 V141 Y144 F148V111-L146 HydrophobicContact CG1-CD2 4.43Å; V111-L146 HydrophobicContact CG2-CD1 3.72Å; V111-L146 HydrophobicContact CG2-CD2 4.23Å; R116-L146 VanDerWaalsContact CZ-CD2 3.41Å; I118-L146 HydrophobicContact CD1-CD1 4.06Å; V140-L146 HydrophobicContact CG1-CD1 4.4Å; V141-L146 HydrophobicContact CG1-CB 4.37Å; V141-L146 HydrophobicContact CG2-CB 4.43Å; V141-L146 HydrophobicContact CG2-CD1 4.3Å; V141-L146 PolarHBondContact O-N 2.79Å; Y144-L146 VanDerWaalsContact C-N 3.28Å; Y144-L146 PolarHBondContact O-N 2.89Å; L146-F148 PolarHBondContact O-N 3.06Å
147P93.6Very high94.2Very high54 Ų5468.4 Ų68.435%0.35133%0.328SS..  trans-54.8134.4166.3-23.732.9000111.1R116 Y152R116-P147 WeakPolarHBondContact O-CD 3.46Å; P147-Y152 WeakPolarHBondContact O-CE2 3.35Å
148F92.7Very high93.8Very high101 Ų10170 Ų7044%0.44334%0.337SS..  trans-132.5126.8177.5-179.7-104.5000110.3Y137 V141 L146 I153Y137-F148 HydrophobicContact CE1-CD2 4.16Å; Y137-F148 AromaticContact CE1-CE2 3.91Å; Y137-F148 HydrophobicContact CE1-CE2 3.91Å; V141-F148 HydrophobicContact CG1-CB 3.84Å; V141-F148 HydrophobicContact CG1-CD2 4.38Å; V141-F148 HydrophobicContact CG1-CG 4.31Å; L146-F148 PolarHBondContact O-N 3.06Å; F148-I153 HydrophobicContact CE2-CD1 3.68Å; F148-I153 HydrophobicContact CE2-CG1 3.91Å; F148-I153 HydrophobicContact CZ-CD1 3.86Å; F148-I153 HydrophobicContact CZ-CG1 4.33Å
149E92.8Very high93.4Very high65 Ų6564.8 Ų64.830%0.30432%0.322SS..  trans-123.9147.7170.3-60.5177.6-161.500107.7S151 Y152 N173 K175E149-S151 PolarHBondContact O-N 3.38Å; E149-S151 VanDerWaalsContact O-N 3.12Å; E149-Y152 HydrophobicContact CB-CD1 3.82Å; E149-Y152 HydrophobicContact CB-CE1 3.78Å; E149-Y152 HydrophobicContact CB-CG 4.39Å; E149-Y152 HydrophobicContact CG-CE1 3.98Å; E149-Y152 VanDerWaalsContact O-CB 3.3Å; E149-Y152 WeakPolarHBondContact O-CB 3.25Å; E149-Y152 PolarHBondContact O-N 2.77Å; E149-N173 PolarHBondContact OE2-ND2 3.46Å; E149-K175 IonicContact OE1-NZ 2.74Å; E149-K175 PolarHBondContact OE1-NZ 2.9Å
150E90.8Very high93.1Very high175 Ų17564 Ų6482%0.81832%0.32SS*.G310 helixtrans-58.2-30.3179.5-169.3171.8-166.700112Y152 I153E150-Y152 PolarHBondContact O-N 2.96Å; E150-Y152 VanDerWaalsContact O-N 3.15Å; E150-I153 PolarHBondContact O-N 2.69Å
151S93.8Very high92.5Very high54 Ų5467 Ų6738%0.37834%0.34SS..G310 helixtrans-64.5-11.4174.264.90000114.9E149 I153 N173E149-S151 PolarHBondContact O-N 3.38Å; E149-S151 VanDerWaalsContact O-N 3.12Å; S151-I153 VanDerWaalsContact C-N 3.3Å; S151-N173 PolarHBondContact OG-ND2 3.2Å
152Y96.2Very high92.2Very high0 Ų066.3 Ų66.30%034%0.338CS..G310 helixtrans-78.2-18.4179.3-71.313.7000111.8H117 G119 M120 P147 E149 E150 N173 I176H117-Y152 HydrophobicContact CB-CE2 4.31Å; H117-Y152 AromaticContact ND1-CE2 3.93Å; H117-Y152 AromaticContact ND1-CZ 3.72Å; H117-Y152 PolarHBondContact ND1-OH 2.89Å; G119-Y152 CarbonylContact C-O 3.55Å; G119-Y152 WeakPolarHBondContact CA-O 3.07Å; M120-Y152 PolarHBondContact N-O 3.35Å; P147-Y152 WeakPolarHBondContact O-CE2 3.35Å; E149-Y152 HydrophobicContact CB-CD1 3.82Å; E149-Y152 HydrophobicContact CB-CE1 3.78Å; E149-Y152 HydrophobicContact CB-CG 4.39Å; E149-Y152 HydrophobicContact CG-CE1 3.98Å; E149-Y152 VanDerWaalsContact O-CB 3.3Å; E149-Y152 WeakPolarHBondContact O-CB 3.25Å; E149-Y152 PolarHBondContact O-N 2.77Å; E150-Y152 PolarHBondContact O-N 2.96Å; E150-Y152 VanDerWaalsContact O-N 3.15Å; Y152-N173 HydrophobicContact CE1-CB 4.47Å; Y152-N173 WeakPolarHBondContact CE1-ND2 3.47Å; Y152-I176 HydrophobicContact CD1-CD1 3.57Å; Y152-I176 HydrophobicContact CD1-CG1 4.49Å; Y152-I176 HydrophobicContact CD2-CD1 4.01Å; Y152-I176 HydrophobicContact CE1-CD1 3.75Å; Y152-I176 HydrophobicContact CE2-CD1 4.18Å; Y152-I176 HydrophobicContact CG-CD1 3.72Å
153I94.8Very high92.2Very high29 Ų2958.6 Ų58.615%0.14930%0.304CS..EExtended strand (participates in β ladder)trans-111.1117177.4-54.6-179.1000108.8M120 K122 Y137 F148 E150 S151M120-I153 HydrophobicContact CB-CG1 4.3Å; M120-I153 WeakPolarHBondContact O-CA 3.31Å; K122-I153 HydrophobicContact CD-CG2 3.89Å; K122-I153 HydrophobicContact CG-CG2 3.92Å; Y137-I153 HydrophobicContact CD1-CD1 4.1Å; Y137-I153 HydrophobicContact CE1-CD1 3.83Å; Y137-I153 HydrophobicContact CE1-CG1 3.98Å; F148-I153 HydrophobicContact CE2-CD1 3.68Å; F148-I153 HydrophobicContact CE2-CG1 3.91Å; F148-I153 HydrophobicContact CZ-CD1 3.86Å; F148-I153 HydrophobicContact CZ-CG1 4.33Å; E150-I153 PolarHBondContact O-N 2.69Å; S151-I153 VanDerWaalsContact C-N 3.3Å
154C95.2Very high92Very high15 Ų1556.2 Ų56.210%0.10129%0.292CS..EExtended strand (participates in β ladder)trans-116.3146.8169.9-68.70000110.7M120 L121 K122 A166 E169 V170M120-C154 PolarHBondContact O-N 2.76Å; L121-C154 WeakPolarHBondContact CA-O 3.28Å; K122-C154 PolarHBondContact N-O 2.67Å; C154-A166 HydrophobicContact CB-CB 4.01Å; C154-E169 HydrophobicContact CB-CB 4.4Å; C154-E169 VanDerWaalsContact SG-CG 3.58Å; C154-V170 HydrophobicContact CB-CG2 3.58Å; C154-V170 WeakPolarHBondContact SG-CG2 3.39Å
155S92.1Very high91.7Very high66 Ų6658.8 Ų58.846%0.46231%0.306SS..EExtended strand (participates in β ladder)trans-105.9138.5-179.2-47.60000110.4K122K122-S155 WeakPolarHBondContact CE-OG 3.45Å; K122-S155 CarbonylContact O-C 3.45Å; K122-S155 VanDerWaalsContact O-CA 3.26Å; K122-S155 WeakPolarHBondContact O-CA 3.26Å
156G89.9Confident91.7Very high9 Ų950.4 Ų50.49%0.09327%0.271CS..EExtended strand (participates in β ladder)trans-148.3171.5176.600000111.1K122 E123 S124K122-G156 PolarHBondContact O-N 2.8Å; E123-G156 CarbonylContact C-O 3.55Å; E123-G156 WeakPolarHBondContact CA-O 3.38Å; S124-G156 PolarHBondContact N-O 2.92Å; S124-G156 PolarHBondContact OG-O 3.43Å
157Q86.4Confident91.8Very high105 Ų10549.7 Ų49.749%0.49127%0.267SS..  trans-66150.1166.6-70.4175.2-29.600109.4T159 G162Q157-T159 HydrophobicContact CB-CG2 4.2Å; Q157-T159 PolarHBondContact O-N 2.88Å; Q157-G162 WeakPolarHBondContact O-CA 3.36Å
158L87Confident91.9Very high37 Ų3753.7 Ų53.719%0.19428%0.275CS..SBendtrans-72.554.3175.2-67.8173.9000111.3E123 L130 N183 M186E123-L158 HydrophobicContact CB-CD1 4.11Å; E123-L158 HydrophobicContact CB-CD2 3.89Å; E123-L158 HydrophobicContact CB-CG 3.78Å; L130-L158 HydrophobicContact CD1-CD1 3.83Å; L130-L158 HydrophobicContact CD1-CD2 4.25Å; L158-N183 PolarHBondContact O-ND2 3Å; L158-M186 HydrophobicContact CD2-SD 3.78Å
159T85.8Confident92.1Very high43 Ų4353.4 Ų53.426%0.26428%0.275SS..SBendtrans-138.3165-175.161.20000109.1Q157 S161 G162 G163Q157-T159 HydrophobicContact CB-CG2 4.2Å; Q157-T159 PolarHBondContact O-N 2.88Å; T159-S161 VanDerWaalsContact C-N 3.33Å; T159-S161 PolarHBondContact O-N 2.84Å; T159-S161 PolarHBondContact OG1-OG 3.5Å; T159-G162 PolarHBondContact O-N 3.1Å; T159-G162 VanDerWaalsContact O-N 3.14Å; T159-G162 PolarHBondContact OG1-N 3.18Å; T159-G162 VanDerWaalsContact OG1-N 3.08Å; T159-G163 PolarHBondContact O-N 3.39Å
160I88.1Confident92.3Very high65 Ų6550.3 Ų50.333%0.33326%0.26SS..Hα-helixtrans-53.6-49173.5-57.1179.2000111.4G162 G163 Y164 E185 L188 G189I160-G162 VanDerWaalsContact C-N 3.34Å; I160-G162 PolarHBondContact O-N 3.39Å; I160-G163 PolarHBondContact O-N 3.35Å; I160-Y164 WeakPolarHBondContact O-CB 3.36Å; I160-Y164 PolarHBondContact O-N 3.37Å; I160-E185 WeakPolarHBondContact CA-O 3.31Å; I160-E185 HydrophobicContact CG1-CB 4.17Å; I160-L188 HydrophobicContact CD1-CB 4.47Å; I160-L188 HydrophobicContact CD1-CD1 3.89Å; I160-L188 HydrophobicContact CG1-CB 4.22Å; I160-L188 HydrophobicContact CG1-CD1 4.23Å; I160-L188 HydrophobicContact CG2-CB 4.39Å; I160-G189 VanDerWaalsContact O-CA 3.24Å; I160-G189 WeakPolarHBondContact O-CA 3.41Å
161S84.9Confident92.6Very high62 Ų6243.3 Ų43.343%0.43423%0.228SC..Hα-helixtrans-63.8-38.117951.50000113.1T159 Y164 H165T159-S161 VanDerWaalsContact C-N 3.33Å; T159-S161 PolarHBondContact O-N 2.84Å; T159-S161 PolarHBondContact OG1-OG 3.5Å; S161-Y164 PolarHBondContact O-N 2.9Å; S161-H165 PolarHBondContact O-CD2 2.91Å; S161-H165 PolarHBondContact O-N 3.02Å; S161-H165 VanDerWaalsContact O-N 3.09Å
162G90Very high92.7Very high6 Ų647.6 Ų47.66%0.06224%0.24CC..Hα-helixtrans-67.3-40.9177.600000112Q157 T159 I160 A166Q157-G162 WeakPolarHBondContact O-CA 3.36Å; T159-G162 PolarHBondContact O-N 3.1Å; T159-G162 VanDerWaalsContact O-N 3.14Å; T159-G162 PolarHBondContact OG1-N 3.18Å; T159-G162 VanDerWaalsContact OG1-N 3.08Å; I160-G162 VanDerWaalsContact C-N 3.34Å; I160-G162 PolarHBondContact O-N 3.39Å; G162-A166 VanDerWaalsContact O-CB 3.24Å; G162-A166 WeakPolarHBondContact O-CB 3.39Å; G162-A166 PolarHBondContact O-N 3.01Å
163G94.2Very high92.6Very high0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-59.6-47.3171.400000112.6T159 I160 H165 A166 A167T159-G163 PolarHBondContact O-N 3.39Å; I160-G163 PolarHBondContact O-N 3.35Å; G163-H165 PolarHBondContact O-N 2.92Å; G163-A166 PolarHBondContact O-N 3.29Å; G163-A167 WeakPolarHBondContact O-CB 3.36Å; G163-A167 PolarHBondContact O-N 3.01Å
164Y92.6Very high92.5Very high30 Ų3057 Ų5712%0.11828%0.281CS..Hα-helixtrans-57.4-52.2178.4170.5-101.9000112.6I160 S161 A167 R168 G189 Q192 A193 E196I160-Y164 WeakPolarHBondContact O-CB 3.36Å; I160-Y164 PolarHBondContact O-N 3.37Å; S161-Y164 PolarHBondContact O-N 2.9Å; Y164-A167 PolarHBondContact O-N 2.92Å; Y164-R168 HydrophobicContact CE2-CG 4.29Å; Y164-R168 VanDerWaalsContact CZ-CD 3.41Å; Y164-R168 WeakPolarHBondContact O-CG 3.5Å; Y164-R168 PolarHBondContact O-N 3.32Å; Y164-R168 WeakPolarHBondContact OH-CD 3.35Å; Y164-R168 PolarHBondContact OH-NH1 3.46Å; Y164-G189 VanDerWaalsContact CA-O 3.29Å; Y164-G189 WeakPolarHBondContact CA-O 3.39Å; Y164-Q192 HydrophobicContact CD2-CB 4.17Å; Y164-Q192 HydrophobicContact CD2-CG 3.98Å; Y164-Q192 HydrophobicContact CE2-CG 4.11Å; Y164-A193 HydrophobicContact CD2-CB 3.84Å; Y164-A193 HydrophobicContact CE2-CB 4.21Å; Y164-E196 VanDerWaalsContact CE2-OE2 3.25Å; Y164-E196 WeakPolarHBondContact CE2-OE2 3.45Å; Y164-E196 PolarHBondContact OH-OE2 2.84Å
165H92.1Very high92.6Very high123 Ų12361.3 Ų61.357%0.56930%0.298SS*.Hα-helixtrans-66.8-40.6-179.1-68.6-53.9000112.5S161 G163 R168 E169S161-H165 PolarHBondContact O-CD2 2.91Å; S161-H165 PolarHBondContact O-N 3.02Å; S161-H165 VanDerWaalsContact O-N 3.09Å; G163-H165 PolarHBondContact O-N 2.92Å; H165-R168 PolarHBondContact O-N 2.85Å; H165-E169 PolarHBondContact O-N 3.34Å
166A96.5Very high92.8Very high5 Ų558.6 Ų58.64%0.04128%0.279CS..Hα-helixtrans-66.8-41.2177.400000111.7L121 C154 G162 G163 E169 V170 M186L121-A166 HydrophobicContact CB-CB 4.4Å; L121-A166 HydrophobicContact CD2-CB 3.9Å; C154-A166 HydrophobicContact CB-CB 4.01Å; G162-A166 VanDerWaalsContact O-CB 3.24Å; G162-A166 WeakPolarHBondContact O-CB 3.39Å; G162-A166 PolarHBondContact O-N 3.01Å; G163-A166 PolarHBondContact O-N 3.29Å; A166-E169 PolarHBondContact O-N 2.93Å; A166-V170 PolarHBondContact O-N 3.42Å; A166-M186 HydrophobicContact CB-CE 4.24Å
167A97.7Very high93.2Very high0 Ų060.4 Ų60.40%029%0.288CS..Hα-helixtrans-61.8-44.9176.300000111.3L121 G163 Y164 E169 V170 L171 C190 A193L121-A167 HydrophobicContact CD1-CB 3.94Å; L121-A167 HydrophobicContact CD2-CB 4.48Å; G163-A167 WeakPolarHBondContact O-CB 3.36Å; G163-A167 PolarHBondContact O-N 3.01Å; Y164-A167 PolarHBondContact O-N 2.92Å; A167-E169 PolarHBondContact O-N 2.89Å; A167-V170 PolarHBondContact O-N 3.42Å; A167-L171 VanDerWaalsContact O-CB 3.28Å; A167-L171 WeakPolarHBondContact O-CB 3.46Å; A167-L171 WeakPolarHBondContact O-CG 3.3Å; A167-L171 PolarHBondContact O-N 3.47Å; A167-C190 HydrophobicContact CB-CB 4.01Å; A167-A193 HydrophobicContact CB-CB 3.61Å
168R96.5Very high93.7Very high137 Ų13755.4 Ų55.452%0.51726%0.264SS..Hα-helixtrans-57-33.5175.8-77.2-170.164.4170.32.7113.3Y164 H165 A193Y164-R168 HydrophobicContact CE2-CG 4.29Å; Y164-R168 VanDerWaalsContact CZ-CD 3.41Å; Y164-R168 WeakPolarHBondContact O-CG 3.5Å; Y164-R168 PolarHBondContact O-N 3.32Å; Y164-R168 WeakPolarHBondContact OH-CD 3.35Å; Y164-R168 PolarHBondContact OH-NH1 3.46Å; H165-R168 PolarHBondContact O-N 2.85Å; R168-A193 HydrophobicContact CG-CB 3.84Å
169E96.8Very high94.2Very high95 Ų9553.7 Ų53.744%0.44426%0.255SS..Hα-helixtrans-73.9-47.6176.4-16663.1-145.900111.6C154 H165 A166 A167 L171 K172C154-E169 HydrophobicContact CB-CB 4.4Å; C154-E169 VanDerWaalsContact SG-CG 3.58Å; H165-E169 PolarHBondContact O-N 3.34Å; A166-E169 PolarHBondContact O-N 2.93Å; A167-E169 PolarHBondContact O-N 2.89Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.49Å; E169-K172 WeakPolarHBondContact O-CB 3.46Å; E169-K172 PolarHBondContact O-N 3.25Å; E169-K172 VanDerWaalsContact O-N 3.17Å; E169-K172 WeakPolarHBondContact OE1-CD 3.48Å; E169-K172 WeakPolarHBondContact OE1-CE 3.29Å; E169-K172 IonicContact OE1-NZ 3.05Å; E169-K172 PolarHBondContact OE1-NZ 2.7Å; E169-K172 WeakPolarHBondContact OE2-CE 3Å; E169-K172 IonicContact OE2-NZ 2.8Å; E169-K172 PolarHBondContact OE2-NZ 2.95Å
170V97.1Very high94.8Very high0 Ų051.6 Ų51.60%024%0.243CC..Hα-helixtrans-57.8-42.5175.7170.70000111.4L121 C154 A166 A167 K172 N173 I176 I179L121-V170 HydrophobicContact CD2-CB 4.28Å; L121-V170 HydrophobicContact CD2-CG2 3.59Å; C154-V170 HydrophobicContact CB-CG2 3.58Å; C154-V170 WeakPolarHBondContact SG-CG2 3.39Å; A166-V170 PolarHBondContact O-N 3.42Å; A167-V170 PolarHBondContact O-N 3.42Å; V170-K172 PolarHBondContact O-N 3.4Å; V170-N173 WeakPolarHBondContact O-CB 3Å; V170-N173 PolarHBondContact O-N 3.02Å; V170-I176 HydrophobicContact CG1-CD1 4.29Å; V170-I176 HydrophobicContact CG1-CG1 3.9Å; V170-I176 HydrophobicContact CG1-CG2 4.2Å; V170-I179 HydrophobicContact CG1-CD1 4.11Å; V170-I179 HydrophobicContact CG1-CG1 4.33Å
171L96.9Very high95.1Very high28 Ų2848.5 Ų48.515%0.14723%0.227CC..THydrogen-bonded Turntrans-67.5-13.1-178.3-69.7172.6000114.1A167 E169 N173 I179 A193 I194 I205A167-L171 VanDerWaalsContact O-CB 3.28Å; A167-L171 WeakPolarHBondContact O-CB 3.46Å; A167-L171 WeakPolarHBondContact O-CG 3.3Å; A167-L171 PolarHBondContact O-N 3.47Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.49Å; L171-N173 PolarHBondContact O-N 3.33Å; L171-I179 HydrophobicContact CD2-CD1 3.96Å; L171-I179 HydrophobicContact CG-CD1 4.33Å; L171-A193 HydrophobicContact CD1-CB 4.11Å; L171-I194 HydrophobicContact CD1-CG1 3.86Å; L171-I194 HydrophobicContact CD2-CG1 4.22Å; L171-I205 HydrophobicContact CD2-CD1 3.05Å
172K95.8Very high95.4Very high144 Ų14445.6 Ų45.663%0.62621%0.207SC*.THydrogen-bonded Turntrans-59.7-27168-67.1178.5-177.3171.10111.2E169 V170 K174E169-K172 WeakPolarHBondContact O-CB 3.46Å; E169-K172 PolarHBondContact O-N 3.25Å; E169-K172 VanDerWaalsContact O-N 3.17Å; E169-K172 WeakPolarHBondContact OE1-CD 3.48Å; E169-K172 WeakPolarHBondContact OE1-CE 3.29Å; E169-K172 IonicContact OE1-NZ 3.05Å; E169-K172 PolarHBondContact OE1-NZ 2.7Å; E169-K172 WeakPolarHBondContact OE2-CE 3Å; E169-K172 IonicContact OE2-NZ 2.8Å; E169-K172 PolarHBondContact OE2-NZ 2.95Å; V170-K172 PolarHBondContact O-N 3.4Å; K172-K174 PolarHBondContact O-N 3.34Å
173N94.4Very high95.4Very high23 Ų2345.6 Ų45.612%0.12321%0.205CC..SBendtrans-86.498.1173.5-158.7-43.7000111.1E149 S151 Y152 V170 L171 K175 I176E149-N173 PolarHBondContact OE2-ND2 3.46Å; S151-N173 PolarHBondContact OG-ND2 3.2Å; Y152-N173 HydrophobicContact CE1-CB 4.47Å; Y152-N173 WeakPolarHBondContact CE1-ND2 3.47Å; V170-N173 WeakPolarHBondContact O-CB 3Å; V170-N173 PolarHBondContact O-N 3.02Å; L171-N173 PolarHBondContact O-N 3.33Å; N173-K175 PolarHBondContact O-N 2.7Å; N173-K175 WeakPolarHBondContact OD1-CB 3.34Å; N173-K175 PolarHBondContact OD1-N 2.93Å; N173-I176 HydrophobicContact CB-CG1 4.13Å; N173-I176 WeakPolarHBondContact O-CG1 3.49Å; N173-I176 PolarHBondContact O-N 3.34Å; N173-I176 VanDerWaalsContact O-N 3.1Å
174K92.9Very high95.2Very high205 Ų20546.3 Ų46.389%0.89121%0.209SC*.THydrogen-bonded Turntrans-63.6-4.1-178.7-61.5-167.2175.9-168.80115.3K172K172-K174 PolarHBondContact O-N 3.34Å
175K95.8Very high95Very high104 Ų10446 Ų4645%0.45221%0.209SC..THydrogen-bonded Turntrans-80.5-21.3174.6-59.9178.6-171.6167.40112.4H117 E149 N173 T177H117-K175 HydrophobicContact CB-CB 4.36Å; H117-K175 WeakPolarHBondContact CB-O 3.31Å; E149-K175 IonicContact OE1-NZ 2.74Å; E149-K175 PolarHBondContact OE1-NZ 2.9Å; N173-K175 PolarHBondContact O-N 2.7Å; N173-K175 WeakPolarHBondContact OD1-CB 3.34Å; N173-K175 PolarHBondContact OD1-N 2.93Å; K175-T177 PolarHBondContact O-N 2.93Å
176I97.5Very high95Very high10 Ų1040.2 Ų40.25%0.05118%0.182CC..  trans-61.6131.1-176.7-63.1-63.3000110.1Y152 V170 N173 A178 I179Y152-I176 HydrophobicContact CD1-CD1 3.57Å; Y152-I176 HydrophobicContact CD1-CG1 4.49Å; Y152-I176 HydrophobicContact CD2-CD1 4.01Å; Y152-I176 HydrophobicContact CE1-CD1 3.75Å; Y152-I176 HydrophobicContact CE2-CD1 4.18Å; Y152-I176 HydrophobicContact CG-CD1 3.72Å; V170-I176 HydrophobicContact CG1-CD1 4.29Å; V170-I176 HydrophobicContact CG1-CG1 3.9Å; V170-I176 HydrophobicContact CG1-CG2 4.2Å; N173-I176 HydrophobicContact CB-CG1 4.13Å; N173-I176 WeakPolarHBondContact O-CG1 3.49Å; N173-I176 PolarHBondContact O-N 3.34Å; N173-I176 VanDerWaalsContact O-N 3.1Å; I176-A178 WeakPolarHBondContact CG2-O 3.46Å; I176-I179 HydrophobicContact CG2-CD1 4.24Å; I176-I179 HydrophobicContact CG2-CG1 3.72Å
177T97.5Very high94.8Very high47 Ų4740.2 Ų40.229%0.28818%0.182SC..  trans-122.3-14.8179.157.10000112.7H115 H117 K175 I205 S206H115-T177 PolarHBondContact CE1-O 2.78Å; H115-T177 WeakPolarHBondContact ND1-CB 3.22Å; H115-T177 PolarHBondContact ND1-O 3.21Å; H115-T177 PolarHBondContact ND1-OG1 2.97Å; H115-T177 VanDerWaalsContact ND1-OG1 3.15Å; H117-T177 PolarHBondContact O-N 3.1Å; H117-T177 PolarHBondContact O-OG1 2.9Å; K175-T177 PolarHBondContact O-N 2.93Å; T177-I205 WeakPolarHBondContact O-CA 3.48Å; T177-S206 PolarHBondContact O-N 3.02Å
178A98.1Very high94.5Very high0 Ų043.3 Ų43.30%020%0.198CC..EExtended strand (participates in β ladder)trans-147152.5172.400000111L110 H115 H117 I118 G119 I176 S206L110-A178 HydrophobicContact CD1-CB 4.09Å; L110-A178 HydrophobicContact CD2-CB 4.13Å; H115-A178 HydrophobicContact CB-CB 4.01Å; H117-A178 PolarHBondContact O-N 3.2Å; I118-A178 CarbonylContact C-O 3.58Å; I118-A178 WeakPolarHBondContact CA-O 3.44Å; I118-A178 HydrophobicContact CG1-CB 4.4Å; I118-A178 HydrophobicContact CG2-CB 4.43Å; G119-A178 PolarHBondContact N-O 3.41Å; I176-A178 WeakPolarHBondContact CG2-O 3.46Å; A178-S206 CarbonylContact C-O 3.58Å; A178-S206 WeakPolarHBondContact CA-O 3.28Å
179I97.9Very high94.3Very high0 Ų036.8 Ų36.80%017%0.173CC..EExtended strand (participates in β ladder)trans-130.8120177.9-59.3178.1000109.4G119 L121 V170 L171 I176 I205 S206 V208G119-I179 WeakPolarHBondContact O-CA 3.48Å; L121-I179 HydrophobicContact CD1-CG2 4.07Å; L121-I179 HydrophobicContact CD2-CG2 4.03Å; L121-I179 HydrophobicContact CG-CG2 3.63Å; V170-I179 HydrophobicContact CG1-CD1 4.11Å; V170-I179 HydrophobicContact CG1-CG1 4.33Å; L171-I179 HydrophobicContact CD2-CD1 3.96Å; L171-I179 HydrophobicContact CG-CD1 4.33Å; I176-I179 HydrophobicContact CG2-CD1 4.24Å; I176-I179 HydrophobicContact CG2-CG1 3.72Å; I179-I205 HydrophobicContact CD1-CG2 4.09Å; I179-I205 HydrophobicContact CG1-CG2 4.02Å; I179-S206 PolarHBondContact N-O 3.05Å; I179-V208 PolarHBondContact O-N 2.89Å
180F96.9Very high94.2Very high0 Ų032.2 Ų32.20%015%0.152CC..EExtended strand (participates in β ladder)trans-88.8115.4168.5173.4-136.7000109.5A103 V106 L107 G119 M120 L121 R133 V208 F210A103-F180 HydrophobicContact CB-CE1 4.08Å; A103-F180 HydrophobicContact CB-CZ 3.79Å; V106-F180 HydrophobicContact CG1-CD2 4.47Å; L107-F180 HydrophobicContact CD1-CD1 4.13Å; L107-F180 HydrophobicContact CD1-CE1 4.2Å; L107-F180 HydrophobicContact CD2-CB 3.98Å; L107-F180 HydrophobicContact CD2-CD1 3.94Å; L107-F180 HydrophobicContact CD2-CG 4.1Å; L107-F180 HydrophobicContact CG-CD1 4.13Å; L107-F180 HydrophobicContact CG-CE1 4.49Å; L107-F180 HydrophobicContact CG-CG 4.45Å; G119-F180 PolarHBondContact O-N 3.47Å; M120-F180 CarbonylContact C-O 3.53Å; M120-F180 VanDerWaalsContact CA-O 3.28Å; M120-F180 WeakPolarHBondContact CA-O 3.37Å; M120-F180 HydrophobicContact CE-CD1 4.14Å; M120-F180 HydrophobicContact CE-CE1 3.96Å; M120-F180 HydrophobicContact CG-CD1 4.15Å; M120-F180 HydrophobicContact SD-CD1 4.43Å; L121-F180 PolarHBondContact N-O 3.49Å; R133-F180 HydrophobicContact CB-CE1 4.29Å; R133-F180 HydrophobicContact CB-CZ 4.37Å; F180-V208 HydrophobicContact CB-CG1 4.29Å; F180-V208 HydrophobicContact CD2-CG1 3.94Å; F180-F210 HydrophobicContact CE2-CB 4.26Å; F180-F210 AromaticContact CE2-CD2 3.97Å; F180-F210 HydrophobicContact CE2-CD2 3.97Å; F180-F210 HydrophobicContact CZ-CD2 4.04Å
181C95.3Very high94Very high0 Ų035.3 Ų35.30%016%0.164CC..EExtended strand (participates in β ladder)trans-94.4142.6-177.9-58.80000110.9N183 M186 A187 V208C181-N183 VanDerWaalsContact C-N 3.28Å; C181-N183 PolarHBondContact O-N 3.34Å; C181-M186 HydrophobicContact CB-CB 4.08Å; C181-A187 HydrophobicContact CB-CB 3.95Å; C181-V208 PolarHBondContact N-O 3.19Å
182G91.4Very high93.7Very high1 Ų138.3 Ų38.31%0.0118%0.178CC..SBendtrans-55.1-44.6-177.900000111.9L121 R133 F210L121-G182 VanDerWaalsContact O-CA 3.32Å; L121-G182 WeakPolarHBondContact O-CA 3.38Å; L121-G182 PolarHBondContact O-N 2.85Å; R133-G182 PolarHBondContact NH1-O 3.1Å; G182-F210 WeakPolarHBondContact O-CB 3.29Å
183N89.6Confident93.6Very high6 Ų631.5 Ų31.53%0.03215%0.148CC..SBendtrans-141.1176.2168.968.5-12.4000110.7L158 C181 E185 M186 A187 F210 D211L158-N183 PolarHBondContact O-ND2 3Å; C181-N183 VanDerWaalsContact C-N 3.28Å; C181-N183 PolarHBondContact O-N 3.34Å; N183-E185 VanDerWaalsContact C-N 3.34Å; N183-E185 PolarHBondContact O-N 3Å; N183-M186 PolarHBondContact O-N 3.22Å; N183-M186 WeakPolarHBondContact OD1-CB 3.24Å; N183-M186 VanDerWaalsContact OD1-CG 3.23Å; N183-M186 WeakPolarHBondContact OD1-CG 3.26Å; N183-M186 PolarHBondContact OD1-N 3.44Å; N183-A187 PolarHBondContact O-N 2.91Å; N183-A187 VanDerWaalsContact O-N 3.08Å; N183-F210 CarbonylContact C-O 3.49Å; N183-F210 VanDerWaalsContact CA-O 3.28Å; N183-F210 WeakPolarHBondContact CA-O 3.44Å; N183-D211 WeakPolarHBondContact CB-OD2 3.3Å
184D89.8Confident93.6Very high15 Ų1530.4 Ų30.48%0.0814%0.143CC..Hα-helixtrans-61.6-36.2177.8-76.9-22000113M186 A187 L188 G209 F210 G212 L213 L215D184-M186 PolarHBondContact O-N 3.08Å; D184-A187 WeakPolarHBondContact O-CA 3.35Å; D184-A187 VanDerWaalsContact O-CB 3.26Å; D184-A187 WeakPolarHBondContact O-CB 3.42Å; D184-A187 PolarHBondContact O-N 2.8Å; D184-L188 PolarHBondContact O-N 2.84Å; D184-G209 VanDerWaalsContact OD1-CA 3.26Å; D184-G209 WeakPolarHBondContact OD1-CA 3.41Å; D184-F210 PolarHBondContact N-O 2.92Å; D184-F210 PolarHBondContact OD1-N 2.8Å; D184-G212 PolarHBondContact OD2-N 3.12Å; D184-L213 HydrophobicContact CB-CB 4.02Å; D184-L213 HydrophobicContact CB-CD1 3.71Å; D184-L213 HydrophobicContact CB-CG 4.05Å; D184-L213 VanDerWaalsContact OD2-CB 3.32Å; D184-L213 WeakPolarHBondContact OD2-CB 3.5Å; D184-L213 PolarHBondContact OD2-N 2.79Å; D184-L215 HydrophobicContact CB-CD1 3.48Å; D184-L215 VanDerWaalsContact CB-CD1 3.48Å; D184-L215 HydrophobicContact CB-CG 4.02Å; D184-L215 VanDerWaalsContact O-CD1 3.25Å; D184-L215 WeakPolarHBondContact O-CD1 3.48Å
185E88.1Confident93.5Very high24 Ų2425 Ų2511%0.11212%0.117CC..Hα-helixtrans-61.9-43.7173-71.5-169.670.800112.4F9 I160 N183 A187 L188 G189F9-E185 HydrophobicContact CD2-CG 3.76Å; F9-E185 HydrophobicContact CE2-CG 4.3Å; I160-E185 WeakPolarHBondContact CA-O 3.31Å; I160-E185 HydrophobicContact CG1-CB 4.17Å; N183-E185 VanDerWaalsContact C-N 3.34Å; N183-E185 PolarHBondContact O-N 3Å; E185-A187 PolarHBondContact O-N 3.45Å; E185-L188 WeakPolarHBondContact O-CB 3.48Å; E185-L188 PolarHBondContact O-N 2.99Å; E185-G189 PolarHBondContact O-N 2.77Å
186M92.4Very high93.1Very high0 Ų025.1 Ų25.10%012%0.119CC..Hα-helixtrans-63-32.6174-72.9-1749000111.6L121 L158 A166 C181 N183 D184 G189 C190L121-M186 HydrophobicContact CB-CE 3.57Å; L121-M186 HydrophobicContact CB-SD 4.38Å; L158-M186 HydrophobicContact CD2-SD 3.78Å; A166-M186 HydrophobicContact CB-CE 4.24Å; C181-M186 HydrophobicContact CB-CB 4.08Å; N183-M186 PolarHBondContact O-N 3.22Å; N183-M186 WeakPolarHBondContact OD1-CB 3.24Å; N183-M186 VanDerWaalsContact OD1-CG 3.23Å; N183-M186 WeakPolarHBondContact OD1-CG 3.26Å; N183-M186 PolarHBondContact OD1-N 3.44Å; D184-M186 PolarHBondContact O-N 3.08Å; M186-G189 PolarHBondContact O-N 2.75Å; M186-C190 WeakPolarHBondContact O-CB 3.38Å; M186-C190 PolarHBondContact O-N 2.75Å
187A93.5Very high92.8Very high6 Ų627.5 Ų27.55%0.0514%0.14CC..Hα-helixtrans-62.9-42.1174.400000111.5C181 N183 D184 E185 G189 C190 Y191 V207C181-A187 HydrophobicContact CB-CB 3.95Å; N183-A187 PolarHBondContact O-N 2.91Å; N183-A187 VanDerWaalsContact O-N 3.08Å; D184-A187 WeakPolarHBondContact O-CA 3.35Å; D184-A187 VanDerWaalsContact O-CB 3.26Å; D184-A187 WeakPolarHBondContact O-CB 3.42Å; D184-A187 PolarHBondContact O-N 2.8Å; E185-A187 PolarHBondContact O-N 3.45Å; A187-G189 PolarHBondContact O-N 3.31Å; A187-C190 CarbonylContact O-C 3.59Å; A187-C190 WeakPolarHBondContact O-CA 3.44Å; A187-C190 VanDerWaalsContact O-CB 3.25Å; A187-C190 WeakPolarHBondContact O-CB 3.39Å; A187-C190 PolarHBondContact O-N 2.83Å; A187-C190 VanDerWaalsContact O-N 3.09Å; A187-Y191 VanDerWaalsContact O-CD2 3.26Å; A187-Y191 WeakPolarHBondContact O-CD2 3.46Å; A187-Y191 PolarHBondContact O-N 2.88Å; A187-V207 HydrophobicContact CB-CG1 4.05Å
188L90Very high92.4Very high64 Ų6428.4 Ų28.434%0.33516%0.159SC..Hα-helixtrans-59.9-45.2173.6-67.2177.3000112.4I160 D184 E185 C190 Y191 Q192 L215I160-L188 HydrophobicContact CD1-CB 4.47Å; I160-L188 HydrophobicContact CD1-CD1 3.89Å; I160-L188 HydrophobicContact CG1-CB 4.22Å; I160-L188 HydrophobicContact CG1-CD1 4.23Å; I160-L188 HydrophobicContact CG2-CB 4.39Å; D184-L188 PolarHBondContact O-N 2.84Å; E185-L188 WeakPolarHBondContact O-CB 3.48Å; E185-L188 PolarHBondContact O-N 2.99Å; L188-C190 PolarHBondContact O-N 3.12Å; L188-Y191 WeakPolarHBondContact O-CB 3.38Å; L188-Y191 PolarHBondContact O-N 3.46Å; L188-Q192 PolarHBondContact O-N 2.59Å; L188-Q192 VanDerWaalsContact O-N 3.12Å; L188-L215 HydrophobicContact CD1-CD1 4.21Å; L188-L215 HydrophobicContact CD1-CD2 3.98Å; L188-L215 HydrophobicContact CD2-CD1 3.86Å; L188-L215 HydrophobicContact CG-CD1 3.69Å; L188-L215 HydrophobicContact CG-CD2 4.37Å
189G92.1Very high92.2Very high0 Ų031.2 Ų31.20%017%0.174CC..Hα-helixtrans-59.9-38.6173.700000112.4I160 Y164 E185 M186 A187 Q192 A193I160-G189 VanDerWaalsContact O-CA 3.24Å; I160-G189 WeakPolarHBondContact O-CA 3.41Å; Y164-G189 VanDerWaalsContact CA-O 3.29Å; Y164-G189 WeakPolarHBondContact CA-O 3.39Å; E185-G189 PolarHBondContact O-N 2.77Å; M186-G189 PolarHBondContact O-N 2.75Å; A187-G189 PolarHBondContact O-N 3.31Å; G189-Q192 PolarHBondContact O-N 3.04Å; G189-A193 PolarHBondContact O-N 3.04Å
190C95.5Very high91.8Very high0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-63.8-42.7175.2-170.40000112L121 A167 M186 A187 L188 Q192 A193 I194 V207L121-C190 HydrophobicContact CD1-CB 3.95Å; A167-C190 HydrophobicContact CB-CB 4.01Å; M186-C190 WeakPolarHBondContact O-CB 3.38Å; M186-C190 PolarHBondContact O-N 2.75Å; A187-C190 CarbonylContact O-C 3.59Å; A187-C190 WeakPolarHBondContact O-CA 3.44Å; A187-C190 VanDerWaalsContact O-CB 3.25Å; A187-C190 WeakPolarHBondContact O-CB 3.39Å; A187-C190 PolarHBondContact O-N 2.83Å; A187-C190 VanDerWaalsContact O-N 3.09Å; L188-C190 PolarHBondContact O-N 3.12Å; C190-Q192 VanDerWaalsContact C-N 3.34Å; C190-Q192 PolarHBondContact O-N 2.84Å; C190-A193 PolarHBondContact O-N 3.34Å; C190-I194 VanDerWaalsContact O-CG1 3.25Å; C190-I194 WeakPolarHBondContact O-CG1 3.39Å; C190-I194 PolarHBondContact O-N 2.95Å; C190-V207 HydrophobicContact CB-CG1 4.22Å
191Y93.6Very high91.6Very high64 Ų6438.6 Ų38.625%0.25121%0.207SC..Hα-helixtrans-55.8-50.1174.1-91.2-121.6000110.9A187 L188 A193 I194 Y195 I201 V207A187-Y191 VanDerWaalsContact O-CD2 3.26Å; A187-Y191 WeakPolarHBondContact O-CD2 3.46Å; A187-Y191 PolarHBondContact O-N 2.88Å; L188-Y191 WeakPolarHBondContact O-CB 3.38Å; L188-Y191 PolarHBondContact O-N 3.46Å; Y191-A193 VanDerWaalsContact C-N 3.33Å; Y191-A193 PolarHBondContact O-N 2.83Å; Y191-I194 PolarHBondContact O-N 3.31Å; Y191-Y195 AromaticContact CD1-CE2 3.92Å; Y191-Y195 HydrophobicContact CD1-CE2 3.92Å; Y191-Y195 WeakPolarHBondContact O-CD2 3.44Å; Y191-Y195 PolarHBondContact O-N 2.86Å; Y191-I201 HydrophobicContact CD1-CD1 3.57Å; Y191-I201 HydrophobicContact CD2-CD1 3.77Å; Y191-I201 HydrophobicContact CE1-CD1 3.83Å; Y191-I201 HydrophobicContact CE1-CG2 4.18Å; Y191-I201 HydrophobicContact CE2-CD1 4.06Å; Y191-I201 HydrophobicContact CE2-CG2 4.47Å; Y191-I201 HydrophobicContact CG-CD1 3.53Å; Y191-V207 HydrophobicContact CD2-CB 4.1Å; Y191-V207 HydrophobicContact CD2-CG1 3.95Å; Y191-V207 HydrophobicContact CD2-CG2 4.24Å; Y191-V207 HydrophobicContact CE2-CB 3.63Å; Y191-V207 HydrophobicContact CE2-CG1 3.74Å; Y191-V207 HydrophobicContact CE2-CG2 4.15Å
192Q89.5Confident91.4Very high91 Ų9142.4 Ų42.443%0.42523%0.231SC..Hα-helixtrans-57.4-46.2177.7-176.3-177.9-10.900111.7Y164 L188 G189 C190 I194 Y195 E196Y164-Q192 HydrophobicContact CD2-CB 4.17Å; Y164-Q192 HydrophobicContact CD2-CG 3.98Å; Y164-Q192 HydrophobicContact CE2-CG 4.11Å; L188-Q192 PolarHBondContact O-N 2.59Å; L188-Q192 VanDerWaalsContact O-N 3.12Å; G189-Q192 PolarHBondContact O-N 3.04Å; C190-Q192 VanDerWaalsContact C-N 3.34Å; C190-Q192 PolarHBondContact O-N 2.84Å; Q192-I194 PolarHBondContact O-N 2.86Å; Q192-Y195 PolarHBondContact O-N 2.69Å; Q192-E196 PolarHBondContact NE2-OE1 2.62Å; Q192-E196 WeakPolarHBondContact O-CG 3.25Å; Q192-E196 PolarHBondContact O-N 2.87Å
193A93.5Very high91.4Very high2 Ų248.9 Ų48.92%0.01726%0.261CS..Hα-helixtrans-63.8-37.9-179.800000113.1Y164 A167 R168 L171 G189 C190 Y191 A197Y164-A193 HydrophobicContact CD2-CB 3.84Å; Y164-A193 HydrophobicContact CE2-CB 4.21Å; A167-A193 HydrophobicContact CB-CB 3.61Å; R168-A193 HydrophobicContact CG-CB 3.84Å; L171-A193 HydrophobicContact CD1-CB 4.11Å; G189-A193 PolarHBondContact O-N 3.04Å; C190-A193 PolarHBondContact O-N 3.34Å; Y191-A193 VanDerWaalsContact C-N 3.33Å; Y191-A193 PolarHBondContact O-N 2.83Å; A193-A197 WeakPolarHBondContact O-CB 3.37Å; A193-A197 PolarHBondContact O-N 2.62Å; A193-A197 VanDerWaalsContact O-N 3.11Å
194I95.4Very high91.7Very high0 Ų052.3 Ų52.30%028%0.28CS..Hα-helixtrans-68.4-44.6177.7-68.1165.8000110.4L171 C190 Y191 Q192 A197 G198 L199 I201 I205 V207L171-I194 HydrophobicContact CD1-CG1 3.86Å; L171-I194 HydrophobicContact CD2-CG1 4.22Å; C190-I194 VanDerWaalsContact O-CG1 3.25Å; C190-I194 WeakPolarHBondContact O-CG1 3.39Å; C190-I194 PolarHBondContact O-N 2.95Å; Y191-I194 PolarHBondContact O-N 3.31Å; Q192-I194 PolarHBondContact O-N 2.86Å; I194-A197 WeakPolarHBondContact O-CB 3.26Å; I194-A197 PolarHBondContact O-N 2.56Å; I194-A197 VanDerWaalsContact O-N 3.13Å; I194-G198 PolarHBondContact O-N 3.05Å; I194-L199 HydrophobicContact CG2-CB 3.65Å; I194-L199 PolarHBondContact O-N 2.98Å; I194-L199 VanDerWaalsContact O-N 3.14Å; I194-I201 HydrophobicContact CB-CD1 4.1Å; I194-I201 HydrophobicContact CB-CG1 4.33Å; I194-I201 HydrophobicContact CD1-CD1 3.83Å; I194-I201 HydrophobicContact CD1-CG1 4.12Å; I194-I201 HydrophobicContact CG2-CD1 4.01Å; I194-I201 HydrophobicContact CG2-CG1 3.69Å; I194-I205 HydrophobicContact CD1-CB 4.02Å; I194-I205 HydrophobicContact CD1-CG2 3.68Å; I194-I205 HydrophobicContact CG1-CD1 4.32Å; I194-I205 HydrophobicContact CG1-CG2 4.44Å; I194-I205 HydrophobicContact CG2-CB 4.42Å; I194-V207 HydrophobicContact CD1-CG2 3.24Å
195Y89.4Confident92Very high92 Ų9251.9 Ų51.936%0.36128%0.277SS..Hα-helixtrans-63.7-42177-69.2-44.2000112.4Y191 Q192 A197 G198Y191-Y195 AromaticContact CD1-CE2 3.92Å; Y191-Y195 HydrophobicContact CD1-CE2 3.92Å; Y191-Y195 WeakPolarHBondContact O-CD2 3.44Å; Y191-Y195 PolarHBondContact O-N 2.86Å; Q192-Y195 PolarHBondContact O-N 2.69Å; Y195-A197 PolarHBondContact O-N 2.82Å; Y195-G198 PolarHBondContact O-N 2.99Å
196E88.9Confident92.4Very high106 Ų10651.8 Ų51.850%0.49528%0.279SS..Hα-helixtrans-64.3-26.5174.6-75.9-179.4-16200112.8Y164 Q192 G198Y164-E196 VanDerWaalsContact CE2-OE2 3.25Å; Y164-E196 WeakPolarHBondContact CE2-OE2 3.45Å; Y164-E196 PolarHBondContact OH-OE2 2.84Å; Q192-E196 PolarHBondContact NE2-OE1 2.62Å; Q192-E196 WeakPolarHBondContact O-CG 3.25Å; Q192-E196 PolarHBondContact O-N 2.87Å; E196-G198 PolarHBondContact O-N 2.9Å
197A91.1Very high92.6Very high59 Ų5952.8 Ų52.849%0.48829%0.286SS..THydrogen-bonded Turntrans-76.9-2.6172.100000113.4A193 I194 Y195 L199A193-A197 WeakPolarHBondContact O-CB 3.37Å; A193-A197 PolarHBondContact O-N 2.62Å; A193-A197 VanDerWaalsContact O-N 3.11Å; I194-A197 WeakPolarHBondContact O-CB 3.26Å; I194-A197 PolarHBondContact O-N 2.56Å; I194-A197 VanDerWaalsContact O-N 3.13Å; Y195-A197 PolarHBondContact O-N 2.82Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 HydrophobicContact CB-CD1 4.19Å; A197-L199 HydrophobicContact CB-CG 4.26Å
198G89.2Confident92.6Very high67 Ų6754.4 Ų54.469%0.69130%0.295SS*.THydrogen-bonded Turntrans75.421.4-178.800000113.9I194 Y195 E196I194-G198 PolarHBondContact O-N 3.05Å; Y195-G198 PolarHBondContact O-N 2.99Å; E196-G198 PolarHBondContact O-N 2.9Å
199L93.1Very high92.7Very high58 Ų5852 Ų5230%0.30429%0.286SS..  trans-104.5158.3-178.3-62175.3000110.9I194 A197 D204 I205I194-L199 HydrophobicContact CG2-CB 3.65Å; I194-L199 PolarHBondContact O-N 2.98Å; I194-L199 VanDerWaalsContact O-N 3.14Å; A197-L199 VanDerWaalsContact C-N 3.34Å; A197-L199 HydrophobicContact CB-CD1 4.19Å; A197-L199 HydrophobicContact CB-CG 4.26Å; L199-D204 WeakPolarHBondContact CA-OD2 3.28Å; L199-D204 HydrophobicContact CB-CB 4Å; L199-D204 HydrophobicContact CD2-CB 4.02Å; L199-D204 HydrophobicContact CG-CB 4.49Å; L199-I205 HydrophobicContact CD1-CD1 3.57Å; L199-I205 HydrophobicContact CD1-CG1 4.23Å
200K88.6Confident92.5Very high133 Ų13353.1 Ų53.158%0.57829%0.29SS*.  trans-108.2151-178.9-60.1-178.5178.9-177.40112.1E203 D204 I205K200-E203 HydrophobicContact CB-CB 4.18Å; K200-E203 WeakPolarHBondContact CB-OE2 3.16Å; K200-D204 PolarHBondContact N-OD2 3.04Å; K200-D204 WeakPolarHBondContact O-CB 3.26Å; K200-D204 PolarHBondContact O-N 2.84Å; K200-I205 PolarHBondContact O-N 3.13Å; K200-I205 VanDerWaalsContact O-N 3.17Å
201I92.7Very high92.1Very high23 Ų2355.3 Ų55.312%0.11830%0.302CS..THydrogen-bonded Turntrans-119.3125.1177.4-57.8172.2000107.3Y191 I194 V207Y191-I201 HydrophobicContact CD1-CD1 3.57Å; Y191-I201 HydrophobicContact CD2-CD1 3.77Å; Y191-I201 HydrophobicContact CE1-CD1 3.83Å; Y191-I201 HydrophobicContact CE1-CG2 4.18Å; Y191-I201 HydrophobicContact CE2-CD1 4.06Å; Y191-I201 HydrophobicContact CE2-CG2 4.47Å; Y191-I201 HydrophobicContact CG-CD1 3.53Å; I194-I201 HydrophobicContact CB-CD1 4.1Å; I194-I201 HydrophobicContact CB-CG1 4.33Å; I194-I201 HydrophobicContact CD1-CD1 3.83Å; I194-I201 HydrophobicContact CD1-CG1 4.12Å; I194-I201 HydrophobicContact CG2-CD1 4.01Å; I194-I201 HydrophobicContact CG2-CG1 3.69Å; I201-V207 HydrophobicContact CD1-CG2 4.02Å; I201-V207 HydrophobicContact CG1-CG2 4.46Å
202P92.4Very high91.3Very high79 Ų7955.5 Ų55.551%0.51332%0.324SS..THydrogen-bonded Turncis-91.223.236.5-35.7000114.9D204P202-D204 PolarHBondContact O-N 3.22Å
203E91.3Very high90.3Very high137 Ų13752.5 Ų52.564%0.6431%0.31SS*.THydrogen-bonded Turntrans-61.7-40.5-165.3-63.783173.600113.8K200K200-E203 HydrophobicContact CB-CB 4.18Å; K200-E203 WeakPolarHBondContact CB-OE2 3.16Å
204D95.1Very high88.7Confident78 Ų7861.7 Ų61.742%0.41735%0.353SS..THydrogen-bonded Turntrans-97.1-43.8177-61.6-53.5000110.9L199 K200 P202L199-D204 WeakPolarHBondContact CA-OD2 3.28Å; L199-D204 HydrophobicContact CB-CB 4Å; L199-D204 HydrophobicContact CD2-CB 4.02Å; L199-D204 HydrophobicContact CG-CB 4.49Å; K200-D204 PolarHBondContact N-OD2 3.04Å; K200-D204 WeakPolarHBondContact O-CB 3.26Å; K200-D204 PolarHBondContact O-N 2.84Å; P202-D204 PolarHBondContact O-N 3.22Å
205I96.9Very high86.9Confident6 Ų664.3 Ų64.33%0.03137%0.367CS..  trans-139.3120-177.7-57.7-174000110.3L171 T177 I179 I194 L199 K200 V207L171-I205 HydrophobicContact CD2-CD1 3.05Å; T177-I205 WeakPolarHBondContact O-CA 3.48Å; I179-I205 HydrophobicContact CD1-CG2 4.09Å; I179-I205 HydrophobicContact CG1-CG2 4.02Å; I194-I205 HydrophobicContact CD1-CB 4.02Å; I194-I205 HydrophobicContact CD1-CG2 3.68Å; I194-I205 HydrophobicContact CG1-CD1 4.32Å; I194-I205 HydrophobicContact CG1-CG2 4.44Å; I194-I205 HydrophobicContact CG2-CB 4.42Å; L199-I205 HydrophobicContact CD1-CD1 3.57Å; L199-I205 HydrophobicContact CD1-CG1 4.23Å; K200-I205 PolarHBondContact O-N 3.13Å; K200-I205 VanDerWaalsContact O-N 3.17Å; I205-V207 HydrophobicContact CG2-CG2 4.39Å
206S97Very high84.9Confident22 Ų2263.1 Ų63.115%0.15438%0.382CS..EExtended strand (participates in β ladder)trans-80.1135.8169-70.10000110.8H115 T177 A178 I179H115-S206 PolarHBondContact CE1-OG 2.77Å; H115-S206 PolarHBondContact NE2-OG 2.84Å; T177-S206 PolarHBondContact O-N 3.02Å; A178-S206 CarbonylContact C-O 3.58Å; A178-S206 WeakPolarHBondContact CA-O 3.28Å; I179-S206 PolarHBondContact N-O 3.05Å
207V95.5Very high82.9Confident22 Ų2261 Ų6113%0.13339%0.389CS..EExtended strand (participates in β ladder)trans-121.2135.7178.7-178.60000108.3A187 C190 Y191 I194 I201 I205A187-V207 HydrophobicContact CB-CG1 4.05Å; C190-V207 HydrophobicContact CB-CG1 4.22Å; Y191-V207 HydrophobicContact CD2-CB 4.1Å; Y191-V207 HydrophobicContact CD2-CG1 3.95Å; Y191-V207 HydrophobicContact CD2-CG2 4.24Å; Y191-V207 HydrophobicContact CE2-CB 3.63Å; Y191-V207 HydrophobicContact CE2-CG1 3.74Å; Y191-V207 HydrophobicContact CE2-CG2 4.15Å; I194-V207 HydrophobicContact CD1-CG2 3.24Å; I201-V207 HydrophobicContact CD1-CG2 4.02Å; I201-V207 HydrophobicContact CG1-CG2 4.46Å; I205-V207 HydrophobicContact CG2-CG2 4.39Å
208V93.8Very high81.1Confident40 Ų4063.5 Ų63.524%0.24239%0.389CS..EExtended strand (participates in β ladder)trans-133.9130.717167.80000109.5V106 L110 I179 F180 C181V106-V208 HydrophobicContact CG1-CB 3.96Å; V106-V208 HydrophobicContact CG1-CG1 3.34Å; V106-V208 HydrophobicContact CG1-CG2 3.42Å; V106-V208 VanDerWaalsContact CG1-CG2 3.42Å; L110-V208 HydrophobicContact CD1-CG1 3.84Å; L110-V208 HydrophobicContact CG-CG1 4.4Å; I179-V208 PolarHBondContact O-N 2.89Å; F180-V208 HydrophobicContact CB-CG1 4.29Å; F180-V208 HydrophobicContact CD2-CG1 3.94Å; C181-V208 PolarHBondContact N-O 3.19Å
209G91.4Very high79.7Confident14 Ų1464.4 Ų64.414%0.14438%0.383CS..  trans-89.8-163.2173.100000112.3D184D184-G209 VanDerWaalsContact OD1-CA 3.26Å; D184-G209 WeakPolarHBondContact OD1-CA 3.41Å
210F89.1Confident78.8Confident22 Ų2265.2 Ų65.210%0.09639%0.386CS..SBendtrans-153.8154.6177.5-159.2-81.5000107.8V97 E99 A103 R133 F180 G182 N183 D184V97-F210 HydrophobicContact CG1-CE1 4.35Å; E99-F210 WeakPolarHBondContact OE2-CE1 3.37Å; E99-F210 WeakPolarHBondContact OE2-CZ 3.49Å; A103-F210 HydrophobicContact CB-CE2 4.15Å; R133-F210 VanDerWaalsContact NH2-CE1 3.31Å; F180-F210 HydrophobicContact CE2-CB 4.26Å; F180-F210 AromaticContact CE2-CD2 3.97Å; F180-F210 HydrophobicContact CE2-CD2 3.97Å; F180-F210 HydrophobicContact CZ-CD2 4.04Å; G182-F210 WeakPolarHBondContact O-CB 3.29Å; N183-F210 CarbonylContact C-O 3.49Å; N183-F210 VanDerWaalsContact CA-O 3.28Å; N183-F210 WeakPolarHBondContact CA-O 3.44Å; D184-F210 PolarHBondContact N-O 2.92Å; D184-F210 PolarHBondContact OD1-N 2.8Å
211D85.8Confident78.5Confident47 Ų4765.3 Ų65.325%0.25138%0.383SS..SBendtrans98.5-17.9-172.3-52.9-33.4000113.5F10 R133 N183 L213F10-D211 HydrophobicContact CD2-CB 4.22Å; R133-D211 IonicContact CZ-OD1 2.66Å; R133-D211 IonicContact NH1-OD1 2.79Å; R133-D211 PolarHBondContact NH1-OD1 2.87Å; R133-D211 IonicContact NH1-OD2 3.11Å; R133-D211 IonicContact NH2-OD1 3.91Å; R133-D211 PolarHBondContact NH2-OD1 2.68Å; N183-D211 WeakPolarHBondContact CB-OD2 3.3Å; D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.14Å
212G77.3Confident78.5Confident68 Ų6864.6 Ų64.670%0.70138%0.379SS*.  trans69.226.2170.300000113D184 E214D184-G212 PolarHBondContact OD2-N 3.12Å; G212-E214 PolarHBondContact O-N 2.93Å
213L68.7Low78.4Confident27 Ų2764.2 Ų64.214%0.14138%0.375CS..  trans-56.6129.2165.1-60.3177.3000107.2F9 K13 D184 D211 L215F9-L213 HydrophobicContact CB-CD1 3.32Å; F9-L213 HydrophobicContact CB-CD2 3.98Å; F9-L213 HydrophobicContact CB-CG 4.31Å; F9-L213 HydrophobicContact CD1-CD1 4.43Å; F9-L213 HydrophobicContact CG-CD1 3.98Å; K13-L213 HydrophobicContact CG-CD2 3.85Å; D184-L213 HydrophobicContact CB-CB 4.02Å; D184-L213 HydrophobicContact CB-CD1 3.71Å; D184-L213 HydrophobicContact CB-CG 4.05Å; D184-L213 VanDerWaalsContact OD2-CB 3.32Å; D184-L213 WeakPolarHBondContact OD2-CB 3.5Å; D184-L213 PolarHBondContact OD2-N 2.79Å; D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.14Å; L213-L215 HydrophobicContact CB-CD2 4.08Å; L213-L215 HydrophobicContact CB-CG 3.99Å; L213-L215 HydrophobicContact CD1-CD2 4.27Å; L213-L215 PolarHBondContact O-N 2.76Å
214E60Low78.4Confident196 Ų19659.1 Ų59.192%0.91635%0.352SS*.  trans-66.173.5160.4-73.3-172.7166.600108.2G212 G216G212-E214 PolarHBondContact O-N 2.93Å; E214-G216 VanDerWaalsContact C-N 3.28Å; E214-G216 PolarHBondContact O-N 3.07Å
215L56.9Low78.4Confident54 Ų5455.7 Ų55.728%0.28333%0.333SS..  trans-69.498.3159-61.1-177000104.1D184 L188 L213 G217D184-L215 HydrophobicContact CB-CD1 3.48Å; D184-L215 VanDerWaalsContact CB-CD1 3.48Å; D184-L215 HydrophobicContact CB-CG 4.02Å; D184-L215 VanDerWaalsContact O-CD1 3.25Å; D184-L215 WeakPolarHBondContact O-CD1 3.48Å; L188-L215 HydrophobicContact CD1-CD1 4.21Å; L188-L215 HydrophobicContact CD1-CD2 3.98Å; L188-L215 HydrophobicContact CD2-CD1 3.86Å; L188-L215 HydrophobicContact CG-CD1 3.69Å; L188-L215 HydrophobicContact CG-CD2 4.37Å; L213-L215 HydrophobicContact CB-CD2 4.08Å; L213-L215 HydrophobicContact CB-CG 3.99Å; L213-L215 HydrophobicContact CD1-CD2 4.27Å; L213-L215 PolarHBondContact O-N 2.76Å; L215-G217 PolarHBondContact O-N 3.28Å
216G48.3Very low78.4Confident67 Ų6756.8 Ų56.869%0.69134%0.339SS*.  trans-38.8121178.200000109.1E214E214-G216 VanDerWaalsContact C-N 3.28Å; E214-G216 PolarHBondContact O-N 3.07Å
217G47.1Very low78.3Confident62 Ų6259.8 Ų59.864%0.63935%0.351SS*.SBendtrans-48.7158.7-176.600000111.1L215L215-G217 PolarHBondContact O-N 3.28Å
218K52.8Low78.4Confident112 Ų11261.6 Ų61.649%0.48736%0.357SS..SBendtrans-1101.8-173.2-177.8-169.9171.4-161.30111.6M220 D224K218-M220 PolarHBondContact O-N 3.02Å; K218-D224 WeakPolarHBondContact CE-OD2 3.43Å; K218-D224 IonicContact NZ-OD2 2.89Å; K218-D224 PolarHBondContact NZ-OD2 3.07Å
219P59.8Low78.6Confident85 Ų8560 Ų6055%0.55235%0.346SS*.  trans-45.1117-168.216.3-30.6000109.1R221P219-R221 VanDerWaalsContact O-CG 3.26Å; P219-R221 WeakPolarHBondContact O-CG 3.25Å; P219-R221 PolarHBondContact O-N 3.38Å
220M74.7Confident78.9Confident76 Ų7665.1 Ų65.137%0.37436%0.361SS..  trans-57.9117.2-175.8-71.8-170.6-167.300107.1K218 E238 E239 F242K218-M220 PolarHBondContact O-N 3.02Å; M220-E238 HydrophobicContact CE-CB 3.97Å; M220-E239 HydrophobicContact CE-CG 4.27Å; M220-E239 HydrophobicContact SD-CB 4.48Å; M220-E239 HydrophobicContact SD-CG 4.02Å; M220-F242 HydrophobicContact CB-CD1 3.86Å; M220-F242 HydrophobicContact CB-CD2 4.05Å; M220-F242 HydrophobicContact CB-CE1 3.9Å; M220-F242 HydrophobicContact CB-CE2 4.08Å; M220-F242 HydrophobicContact CB-CG 3.94Å; M220-F242 HydrophobicContact CB-CZ 4.01Å; M220-F242 WeakPolarHBondContact O-CZ 3.44Å; M220-F242 HydrophobicContact SD-CB 3.79Å; M220-F242 HydrophobicContact SD-CD1 4.35Å; M220-F242 HydrophobicContact SD-CG 3.98Å
221R82.9Confident79.3Confident135 Ų13568.3 Ų68.351%0.50938%0.38SS..  trans-102130178.1-53.8-169.2-52.7160.58.2107.4P219 V223 D224 L225P219-R221 VanDerWaalsContact O-CG 3.26Å; P219-R221 WeakPolarHBondContact O-CG 3.25Å; P219-R221 PolarHBondContact O-N 3.38Å; R221-V223 HydrophobicContact CB-CG1 4.05Å; R221-V223 PolarHBondContact O-N 3.2Å; R221-V223 VanDerWaalsContact O-N 3.07Å; R221-D224 IonicContact CZ-OD1 3.76Å; R221-D224 IonicContact CZ-OD2 2.79Å; R221-D224 IonicContact NE-OD1 3.7Å; R221-D224 PolarHBondContact NE-OD1 2.94Å; R221-D224 IonicContact NE-OD2 3.52Å; R221-D224 PolarHBondContact NE-OD2 3.47Å; R221-D224 IonicContact NH2-OD1 3.21Å; R221-D224 PolarHBondContact NH2-OD1 3.12Å; R221-D224 IonicContact NH2-OD2 2.76Å; R221-D224 WeakPolarHBondContact O-CB 3.14Å; R221-D224 PolarHBondContact O-N 3.29Å; R221-L225 PolarHBondContact O-N 3.37Å
222M91.3Very high79.8Confident8 Ų868.1 Ų68.14%0.03939%0.389CS..Hα-helixtrans-53.2-35.4177.7-167.260.3-160.800112.9D224 L225 I226 I243 I252 Q256 M257 L260M222-D224 VanDerWaalsContact C-N 3.33Å; M222-D224 PolarHBondContact O-N 2.87Å; M222-L225 PolarHBondContact O-N 3.28Å; M222-I226 HydrophobicContact CE-CD1 4.24Å; M222-I226 HydrophobicContact CE-CG1 3.99Å; M222-I226 HydrophobicContact CG-CD1 3.98Å; M222-I226 HydrophobicContact CG-CG1 4.47Å; M222-I226 WeakPolarHBondContact O-CD1 3.39Å; M222-I226 VanDerWaalsContact O-CG1 3.24Å; M222-I226 WeakPolarHBondContact O-CG1 3.41Å; M222-I226 PolarHBondContact O-N 2.9Å; M222-I243 HydrophobicContact CE-CG1 4.17Å; M222-I243 HydrophobicContact CE-CG2 4.28Å; M222-I243 HydrophobicContact SD-CG1 3.89Å; M222-I252 HydrophobicContact CG-CG2 4.1Å; M222-I252 HydrophobicContact SD-CD1 3.95Å; M222-I252 HydrophobicContact SD-CG2 4.2Å; M222-Q256 HydrophobicContact CB-CB 4.47Å; M222-Q256 HydrophobicContact CG-CB 3.62Å; M222-Q256 HydrophobicContact CG-CG 4.24Å; M222-M257 HydrophobicContact CE-SD 4.36Å; M222-L260 HydrophobicContact CE-CB 3.69Å; M222-L260 HydrophobicContact CE-CD2 3.48Å; M222-L260 VanDerWaalsContact CE-CD2 3.48Å; M222-L260 HydrophobicContact CE-CG 4.14Å
223V91.1Very high80.7Confident70 Ų7068.9 Ų68.942%0.42438%0.377SS..Hα-helixtrans-62.7-36.2176.271.20000113.4R221 E227R221-V223 HydrophobicContact CB-CG1 4.05Å; R221-V223 PolarHBondContact O-N 3.2Å; R221-V223 VanDerWaalsContact O-N 3.07Å; V223-E227 WeakPolarHBondContact O-CB 3.34Å; V223-E227 PolarHBondContact O-N 3.16Å
224D90.5Very high82.1Confident30 Ų3070 Ų7016%0.1639%0.389CS..Hα-helixtrans-71.7-35.2179.2-65.2-10.3000110.1K218 R221 M222 K228K218-D224 WeakPolarHBondContact CE-OD2 3.43Å; K218-D224 IonicContact NZ-OD2 2.89Å; K218-D224 PolarHBondContact NZ-OD2 3.07Å; R221-D224 IonicContact CZ-OD1 3.76Å; R221-D224 IonicContact CZ-OD2 2.79Å; R221-D224 IonicContact NE-OD1 3.7Å; R221-D224 PolarHBondContact NE-OD1 2.94Å; R221-D224 IonicContact NE-OD2 3.52Å; R221-D224 PolarHBondContact NE-OD2 3.47Å; R221-D224 IonicContact NH2-OD1 3.21Å; R221-D224 PolarHBondContact NH2-OD1 3.12Å; R221-D224 IonicContact NH2-OD2 2.76Å; R221-D224 WeakPolarHBondContact O-CB 3.14Å; R221-D224 PolarHBondContact O-N 3.29Å; M222-D224 VanDerWaalsContact C-N 3.33Å; M222-D224 PolarHBondContact O-N 2.87Å; D224-K228 VanDerWaalsContact O-CB 3.25Å; D224-K228 WeakPolarHBondContact O-CB 3.24Å; D224-K228 PolarHBondContact O-N 3.14Å
225L94.5Very high83.9Confident6 Ų660.9 Ų60.93%0.03135%0.347CS..Hα-helixtrans-71.4-40.2176.5-55.3-177.8000111.9R221 M222 K228 K229 L235 E239 F242 I243R221-L225 PolarHBondContact O-N 3.37Å; M222-L225 PolarHBondContact O-N 3.28Å; L225-K228 PolarHBondContact O-N 3.26Å; L225-K229 PolarHBondContact O-N 3.16Å; L225-L235 HydrophobicContact CB-CD2 4.34Å; L225-L235 HydrophobicContact CD2-CD2 4.48Å; L225-E239 HydrophobicContact CD1-CB 4.32Å; L225-E239 HydrophobicContact CD2-CB 3.91Å; L225-E239 HydrophobicContact CD2-CG 3.54Å; L225-F242 HydrophobicContact CD1-CD1 3.64Å; L225-F242 HydrophobicContact CD1-CE1 4.01Å; L225-I243 HydrophobicContact CB-CD1 4.31Å; L225-I243 HydrophobicContact CD1-CD1 3.77Å; L225-I243 HydrophobicContact CD1-CG1 3.62Å
226I97.1Very high85.7Confident29 Ų2960.3 Ų60.315%0.14935%0.348CS..Hα-helixtrans-61.9-46.7172.6-66.9160.1000110.3M222 K229 R230 Q256 A259 L260M222-I226 HydrophobicContact CE-CD1 4.24Å; M222-I226 HydrophobicContact CE-CG1 3.99Å; M222-I226 HydrophobicContact CG-CD1 3.98Å; M222-I226 HydrophobicContact CG-CG1 4.47Å; M222-I226 WeakPolarHBondContact O-CD1 3.39Å; M222-I226 VanDerWaalsContact O-CG1 3.24Å; M222-I226 WeakPolarHBondContact O-CG1 3.41Å; M222-I226 PolarHBondContact O-N 2.9Å; I226-K229 PolarHBondContact O-N 3.43Å; I226-R230 WeakPolarHBondContact O-CB 2.88Å; I226-R230 PolarHBondContact O-N 3.42Å; I226-Q256 HydrophobicContact CD1-CB 4.11Å; I226-Q256 WeakPolarHBondContact CD1-O 2.9Å; I226-A259 HydrophobicContact CD1-CB 4.06Å; I226-A259 HydrophobicContact CG2-CB 4.16Å; I226-L260 HydrophobicContact CG1-CB 4.04Å
227E96.3Very high87.9Confident86 Ų8661.5 Ų61.540%0.40233%0.334SS..Hα-helixtrans-60.2-47.6176.4167.9152.1-12200111.6V223 K229 R230 D231V223-E227 WeakPolarHBondContact O-CB 3.34Å; V223-E227 PolarHBondContact O-N 3.16Å; E227-K229 VanDerWaalsContact C-N 3.32Å; E227-K229 PolarHBondContact O-N 3.01Å; E227-R230 PolarHBondContact O-N 2.95Å; E227-R230 IonicContact OE1-CZ 3.79Å; E227-R230 IonicContact OE1-NH1 2.62Å; E227-R230 IonicContact OE1-NH2 2.68Å; E227-R230 PolarHBondContact OE1-NH2 3.48Å; E227-D231 WeakPolarHBondContact O-CB 3.36Å; E227-D231 VanDerWaalsContact O-CG 3.28Å; E227-D231 PolarHBondContact O-N 2.95Å
228K96.2Very high90Very high60 Ų6063.9 Ų63.926%0.26133%0.328SS..Hα-helixtrans-54.9-48.2176.5-177.6176.9-178.3-168.40111.5D224 L225 D231 N233 A234 L235 E239D224-K228 VanDerWaalsContact O-CB 3.25Å; D224-K228 WeakPolarHBondContact O-CB 3.24Å; D224-K228 PolarHBondContact O-N 3.14Å; L225-K228 PolarHBondContact O-N 3.26Å; K228-D231 PolarHBondContact O-N 2.91Å; K228-N233 HydrophobicContact CG-CB 3.69Å; K228-N233 WeakPolarHBondContact O-CB 3.33Å; K228-N233 PolarHBondContact O-N 2.96Å; K228-N233 VanDerWaalsContact O-N 3.1Å; K228-N233 PolarHBondContact O-ND2 3.43Å; K228-A234 WeakPolarHBondContact CE-O 3.04Å; K228-A234 PolarHBondContact NZ-O 2.86Å; K228-L235 HydrophobicContact CD-CD2 4.12Å; K228-L235 HydrophobicContact CG-CD2 4.46Å; K228-E239 IonicContact NZ-OE1 3.68Å; K228-E239 PolarHBondContact NZ-OE1 3.08Å; K228-E239 IonicContact NZ-OE2 2.78Å; K228-E239 PolarHBondContact NZ-OE2 3.37Å
229K98Very high91.9Very high5 Ų559.9 Ų59.92%0.02231%0.312CS..Hα-helixtrans-70-44-179.9-170.256.9175.3179.70112.2L225 I226 E227 D231 G232 L235 L260 A263 I264 Q267 D268 E273L225-K229 PolarHBondContact O-N 3.16Å; I226-K229 PolarHBondContact O-N 3.43Å; E227-K229 VanDerWaalsContact C-N 3.32Å; E227-K229 PolarHBondContact O-N 3.01Å; K229-D231 PolarHBondContact O-N 3.34Å; K229-G232 PolarHBondContact O-N 3.3Å; K229-L235 HydrophobicContact CD-CG 4.48Å; K229-L260 HydrophobicContact CB-CD1 3.89Å; K229-L260 HydrophobicContact CG-CD1 4.07Å; K229-A263 HydrophobicContact CB-CB 4.22Å; K229-A263 HydrophobicContact CG-CB 4.01Å; K229-I264 HydrophobicContact CG-CG1 4.12Å; K229-Q267 WeakPolarHBondContact O-CG 3.47Å; K229-D268 WeakPolarHBondContact CE-O 3.5Å; K229-D268 PolarHBondContact NZ-O 2.87Å; K229-E273 IonicContact NZ-OE1 3.46Å; K229-E273 PolarHBondContact NZ-OE1 3.39Å; K229-E273 IonicContact NZ-OE2 3.42Å; K229-E273 PolarHBondContact NZ-OE2 3.34Å
230R97.7Very high93.7Very high122 Ų12256 Ų5646%0.4629%0.286SS..Hα-helixtrans-51.9-39.4174.7178.3-160.171.8-159-3.5111.6I226 E227 G232 Q267I226-R230 WeakPolarHBondContact O-CB 2.88Å; I226-R230 PolarHBondContact O-N 3.42Å; E227-R230 PolarHBondContact O-N 2.95Å; E227-R230 IonicContact OE1-CZ 3.79Å; E227-R230 IonicContact OE1-NH1 2.62Å; E227-R230 IonicContact OE1-NH2 2.68Å; E227-R230 PolarHBondContact OE1-NH2 3.48Å; R230-G232 PolarHBondContact O-N 3.41Å; R230-Q267 PolarHBondContact O-NE2 3.38Å
231D97.5Very high94.5Very high89 Ų8954.2 Ų54.248%0.47628%0.278SS..THydrogen-bonded Turntrans-85.110.2-178-64.3-9000113.3E227 K228 K229E227-D231 WeakPolarHBondContact O-CB 3.36Å; E227-D231 VanDerWaalsContact O-CG 3.28Å; E227-D231 PolarHBondContact O-N 2.95Å; K228-D231 PolarHBondContact O-N 2.91Å; K229-D231 PolarHBondContact O-N 3.34Å
232G96.2Very high94.9Very high43 Ų4351.3 Ų51.344%0.44327%0.269SS..THydrogen-bonded Turntrans82.514.1171.800000114.9K229 R230K229-G232 PolarHBondContact O-N 3.3Å; R230-G232 PolarHBondContact O-N 3.41Å
233N97.7Very high95.1Very high85 Ų8551 Ų5146%0.45527%0.267SS..PPolyproline II helixtrans-90.8144.9177.7-58.4-77.6000111.2K228K228-N233 HydrophobicContact CG-CB 3.69Å; K228-N233 WeakPolarHBondContact O-CB 3.33Å; K228-N233 PolarHBondContact O-N 2.96Å; K228-N233 VanDerWaalsContact O-N 3.1Å; K228-N233 PolarHBondContact O-ND2 3.43Å
234A97.5Very high95.4Very high49 Ų4947.6 Ų47.641%0.40525%0.247SC..PPolyproline II helixtrans-71.8137.9178.200000111.9K228 E273K228-A234 WeakPolarHBondContact CE-O 3.04Å; K228-A234 PolarHBondContact NZ-O 2.86Å; A234-E273 VanDerWaalsContact CA-OE1 3.3Å; A234-E273 WeakPolarHBondContact CA-OE1 3.4Å; A234-E273 HydrophobicContact CB-CG 4.01Å
235L96.9Very high95.4Very high5 Ų550.3 Ų50.33%0.02626%0.262CS..PPolyproline II helixtrans-78.8136169.9-61.6173.8000110.2L225 K228 K229 E239 L240 I243 L260 E273L225-L235 HydrophobicContact CB-CD2 4.34Å; L225-L235 HydrophobicContact CD2-CD2 4.48Å; K228-L235 HydrophobicContact CD-CD2 4.12Å; K228-L235 HydrophobicContact CG-CD2 4.46Å; K229-L235 HydrophobicContact CD-CG 4.48Å; L235-E239 WeakPolarHBondContact CA-OE2 3.3Å; L235-L240 HydrophobicContact CB-CD1 4.29Å; L235-L240 HydrophobicContact CB-CD2 4.06Å; L235-L240 HydrophobicContact CB-CG 3.89Å; L235-L240 HydrophobicContact CD1-CD2 3.81Å; L235-I243 HydrophobicContact CD1-CD1 3.88Å; L235-L260 HydrophobicContact CD1-CD1 4.13Å; L235-E273 PolarHBondContact N-OE1 3.41Å; L235-E273 WeakPolarHBondContact O-CG 2.81Å
236S94.9Very high95Very high42 Ų4250.2 Ų50.229%0.29426%0.262SS..PPolyproline II helixtrans-75.8165.5173.758.40000111.2E238 E239 L240S236-E238 VanDerWaalsContact C-N 3.33Å; S236-E238 PolarHBondContact O-N 3.18Å; S236-E239 PolarHBondContact N-OE2 3.1Å; S236-E239 PolarHBondContact O-N 3.46Å; S236-E239 WeakPolarHBondContact OG-CG 3.47Å; S236-E239 PolarHBondContact OG-N 3.29Å; S236-E239 PolarHBondContact OG-OE2 3.47Å; S236-L240 WeakPolarHBondContact O-CG 3.22Å; S236-L240 PolarHBondContact O-N 3.3Å
237K94.3Very high94.9Very high92 Ų9249.2 Ų49.240%0.426%0.257SS..Hα-helixtrans-55-48.5175.5-177.1-175.1172.4-64.90111.6E239 L240 D241 H276K237-E239 VanDerWaalsContact C-N 3.3Å; K237-E239 PolarHBondContact O-N 2.89Å; K237-L240 PolarHBondContact O-N 3.11Å; K237-L240 VanDerWaalsContact O-N 3.17Å; K237-D241 IonicContact NZ-OD2 2.83Å; K237-D241 PolarHBondContact NZ-OD2 2.68Å; K237-D241 VanDerWaalsContact O-CG 3.25Å; K237-D241 PolarHBondContact O-N 3.39Å; K237-H276 HydrophobicContact CB-CB 4.49Å; K237-H276 HydrophobicContact CG-CB 4.48Å
238E91Very high94.6Very high113 Ų11346.4 Ų46.453%0.52825%0.248SC..Hα-helixtrans-64.8-35.2-176.9-61.871.2-155.800112M220 S236 F242M220-E238 HydrophobicContact CE-CB 3.97Å; S236-E238 VanDerWaalsContact C-N 3.33Å; S236-E238 PolarHBondContact O-N 3.18Å; E238-F242 WeakPolarHBondContact O-CB 3.01Å; E238-F242 PolarHBondContact O-N 2.89Å
239E93.7Very high94.2Very high28 Ų2849.1 Ų49.113%0.13127%0.266CS..Hα-helixtrans-69.5-39.4175.1-69.5166.3150.300111.7M220 L225 K228 L235 S236 K237 I243M220-E239 HydrophobicContact CE-CG 4.27Å; M220-E239 HydrophobicContact SD-CB 4.48Å; M220-E239 HydrophobicContact SD-CG 4.02Å; L225-E239 HydrophobicContact CD1-CB 4.32Å; L225-E239 HydrophobicContact CD2-CB 3.91Å; L225-E239 HydrophobicContact CD2-CG 3.54Å; K228-E239 IonicContact NZ-OE1 3.68Å; K228-E239 PolarHBondContact NZ-OE1 3.08Å; K228-E239 IonicContact NZ-OE2 2.78Å; K228-E239 PolarHBondContact NZ-OE2 3.37Å; L235-E239 WeakPolarHBondContact CA-OE2 3.3Å; S236-E239 PolarHBondContact N-OE2 3.1Å; S236-E239 PolarHBondContact O-N 3.46Å; S236-E239 WeakPolarHBondContact OG-CG 3.47Å; S236-E239 PolarHBondContact OG-N 3.29Å; S236-E239 PolarHBondContact OG-OE2 3.47Å; K237-E239 VanDerWaalsContact C-N 3.3Å; K237-E239 PolarHBondContact O-N 2.89Å; E239-I243 VanDerWaalsContact O-CD1 3.28Å; E239-I243 WeakPolarHBondContact O-CD1 3.26Å; E239-I243 WeakPolarHBondContact O-CG1 3.18Å; E239-I243 PolarHBondContact O-N 2.95Å
240L97Very high93.6Very high2 Ų251.2 Ų51.21%0.0129%0.288CS..Hα-helixtrans-69.4-41.2176.5-72.7167.6000111.8L235 S236 K237 I243 I244 M269 E273 H276 L277L235-L240 HydrophobicContact CB-CD1 4.29Å; L235-L240 HydrophobicContact CB-CD2 4.06Å; L235-L240 HydrophobicContact CB-CG 3.89Å; L235-L240 HydrophobicContact CD1-CD2 3.81Å; S236-L240 WeakPolarHBondContact O-CG 3.22Å; S236-L240 PolarHBondContact O-N 3.3Å; K237-L240 PolarHBondContact O-N 3.11Å; K237-L240 VanDerWaalsContact O-N 3.17Å; L240-I243 HydrophobicContact CD2-CD1 4.45Å; L240-I243 PolarHBondContact O-N 3.5Å; L240-I244 WeakPolarHBondContact O-CB 3.34Å; L240-I244 WeakPolarHBondContact O-CG1 3.42Å; L240-I244 PolarHBondContact O-N 3.17Å; L240-M269 HydrophobicContact CD2-CE 4.16Å; L240-E273 WeakPolarHBondContact CD1-O 3.26Å; L240-H276 HydrophobicContact CD1-CB 3.58Å; L240-L277 HydrophobicContact CD1-CB 4.4Å; L240-L277 HydrophobicContact CD2-CB 4.32Å; L240-L277 HydrophobicContact CD2-CD1 4.36Å
241D92Very high93Very high40 Ų4049.3 Ų49.321%0.21429%0.294CS..Hα-helixtrans-58.2-49.4173.1-68.2-19.9000109.7K237 I243 I244 D245K237-D241 IonicContact NZ-OD2 2.83Å; K237-D241 PolarHBondContact NZ-OD2 2.68Å; K237-D241 VanDerWaalsContact O-CG 3.25Å; K237-D241 PolarHBondContact O-N 3.39Å; D241-I243 PolarHBondContact O-N 3.34Å; D241-I244 PolarHBondContact O-N 3.08Å; D241-D245 WeakPolarHBondContact O-CB 3.4Å; D241-D245 VanDerWaalsContact O-CG 3.3Å; D241-D245 PolarHBondContact O-N 3.41Å
242F91.7Very high92.5Very high73 Ų7345.5 Ų45.532%0.3227%0.273SS..Hα-helixtrans-56.4-44.8175.1169.9-94000113.2M220 L225 E238 G246 I252M220-F242 HydrophobicContact CB-CD1 3.86Å; M220-F242 HydrophobicContact CB-CD2 4.05Å; M220-F242 HydrophobicContact CB-CE1 3.9Å; M220-F242 HydrophobicContact CB-CE2 4.08Å; M220-F242 HydrophobicContact CB-CG 3.94Å; M220-F242 HydrophobicContact CB-CZ 4.01Å; M220-F242 WeakPolarHBondContact O-CZ 3.44Å; M220-F242 HydrophobicContact SD-CB 3.79Å; M220-F242 HydrophobicContact SD-CD1 4.35Å; M220-F242 HydrophobicContact SD-CG 3.98Å; L225-F242 HydrophobicContact CD1-CD1 3.64Å; L225-F242 HydrophobicContact CD1-CE1 4.01Å; E238-F242 WeakPolarHBondContact O-CB 3.01Å; E238-F242 PolarHBondContact O-N 2.89Å; F242-G246 PolarHBondContact O-N 2.69Å; F242-I252 HydrophobicContact CE1-CD1 4.11Å
243I95.4Very high92.3Very high1 Ų145.3 Ų45.31%0.00526%0.264CS..Hα-helixtrans-62.5-47178.8-71.6158.4000110.6M222 L225 L235 E239 L240 D241 Y247 M257 L260M222-I243 HydrophobicContact CE-CG1 4.17Å; M222-I243 HydrophobicContact CE-CG2 4.28Å; M222-I243 HydrophobicContact SD-CG1 3.89Å; L225-I243 HydrophobicContact CB-CD1 4.31Å; L225-I243 HydrophobicContact CD1-CD1 3.77Å; L225-I243 HydrophobicContact CD1-CG1 3.62Å; L235-I243 HydrophobicContact CD1-CD1 3.88Å; E239-I243 VanDerWaalsContact O-CD1 3.28Å; E239-I243 WeakPolarHBondContact O-CD1 3.26Å; E239-I243 WeakPolarHBondContact O-CG1 3.18Å; E239-I243 PolarHBondContact O-N 2.95Å; L240-I243 HydrophobicContact CD2-CD1 4.45Å; L240-I243 PolarHBondContact O-N 3.5Å; D241-I243 PolarHBondContact O-N 3.34Å; I243-Y247 VanDerWaalsContact O-CB 3.29Å; I243-Y247 WeakPolarHBondContact O-CB 3.23Å; I243-Y247 PolarHBondContact O-N 3.31Å; I243-M257 HydrophobicContact CG2-CE 3.99Å; I243-M257 HydrophobicContact CG2-SD 3.79Å; I243-L260 HydrophobicContact CD1-CD2 3.7Å; I243-L260 HydrophobicContact CG1-CD2 4.26Å; I243-L260 HydrophobicContact CG2-CD2 3.75Å
244I97.2Very high92.3Very high0 Ų045.5 Ų45.50%027%0.265CS..Hα-helixtrans-73.7-44.9-173.2-69.5-56.5000111.5L240 D241 Y247 A248 L277 A280 M281 A379 L383L240-I244 WeakPolarHBondContact O-CB 3.34Å; L240-I244 WeakPolarHBondContact O-CG1 3.42Å; L240-I244 PolarHBondContact O-N 3.17Å; D241-I244 PolarHBondContact O-N 3.08Å; I244-Y247 PolarHBondContact O-N 3.11Å; I244-A248 VanDerWaalsContact O-CB 3.26Å; I244-A248 WeakPolarHBondContact O-CB 3.44Å; I244-A248 PolarHBondContact O-N 3.25Å; I244-L277 HydrophobicContact CD1-CD1 3.66Å; I244-L277 HydrophobicContact CG1-CD1 3.92Å; I244-A280 HydrophobicContact CB-CB 3.9Å; I244-A280 HydrophobicContact CG1-CB 3.87Å; I244-A280 HydrophobicContact CG2-CB 4.04Å; I244-M281 HydrophobicContact CD1-CG 3.79Å; I244-M281 HydrophobicContact CG1-CG 4.26Å; I244-M281 HydrophobicContact CG2-CG 4.3Å; I244-A379 HydrophobicContact CG2-CB 3.57Å; I244-L383 HydrophobicContact CD1-CD1 3.84Å
245D90.1Very high92.3Very high87 Ų8751 Ų5147%0.46528%0.277SS..Hα-helixtrans-62.1-46.5176.7-69.2-17000110.5D241 Y247 A248 D249D241-D245 WeakPolarHBondContact O-CB 3.4Å; D241-D245 VanDerWaalsContact O-CG 3.3Å; D241-D245 PolarHBondContact O-N 3.41Å; D245-Y247 VanDerWaalsContact C-N 3.28Å; D245-Y247 PolarHBondContact O-N 3.25Å; D245-A248 PolarHBondContact O-N 3.1Å; D245-D249 VanDerWaalsContact O-CG 3.32Å; D245-D249 PolarHBondContact O-N 3.16Å
246G87.1Confident92.3Very high4 Ų453.1 Ų53.14%0.04129%0.287CS..Hα-helixtrans-65.8-29.4178.500000113.6F242 D249 G250 S251 I252F242-G246 PolarHBondContact O-N 2.69Å; G246-D249 WeakPolarHBondContact CA-OD1 3.4Å; G246-G250 CarbonylContact O-C 3.41Å; G246-G250 PolarHBondContact O-N 2.96Å; G246-S251 WeakPolarHBondContact CA-OG 3.29Å; G246-S251 PolarHBondContact O-N 2.81Å; G246-S251 PolarHBondContact O-OG 3.39Å; G246-S251 VanDerWaalsContact O-OG 3.12Å; G246-I252 PolarHBondContact O-N 2.86Å
247Y94.1Very high92.4Very high8 Ų851.3 Ų51.33%0.03127%0.273CS..Hα-helixtrans-79-37.6173.7-168.4-125.6000112.2I243 I244 D245 G250 I252 D254 M257 K382 L383I243-Y247 VanDerWaalsContact O-CB 3.29Å; I243-Y247 WeakPolarHBondContact O-CB 3.23Å; I243-Y247 PolarHBondContact O-N 3.31Å; I244-Y247 PolarHBondContact O-N 3.11Å; D245-Y247 VanDerWaalsContact C-N 3.28Å; D245-Y247 PolarHBondContact O-N 3.25Å; Y247-G250 PolarHBondContact O-N 2.81Å; Y247-I252 WeakPolarHBondContact CD2-O 3.28Å; Y247-D254 WeakPolarHBondContact CE2-OD1 3.35Å; Y247-D254 PolarHBondContact OH-OD1 2.88Å; Y247-M257 HydrophobicContact CD1-CG 4.19Å; Y247-M257 HydrophobicContact CD2-CB 4.09Å; Y247-M257 HydrophobicContact CD2-CG 4.17Å; Y247-M257 HydrophobicContact CE1-CG 4.17Å; Y247-M257 HydrophobicContact CE2-CB 4Å; Y247-M257 HydrophobicContact CE2-CG 4.2Å; Y247-M257 HydrophobicContact CG-CG 4.2Å; Y247-K382 HydrophobicContact CD1-CB 4.04Å; Y247-K382 HydrophobicContact CD1-CD 4.49Å; Y247-K382 HydrophobicContact CE1-CB 3.33Å; Y247-K382 HydrophobicContact CE1-CD 4.34Å; Y247-K382 HydrophobicContact CE1-CG 4.47Å; Y247-K382 WeakPolarHBondContact O-CD 3.44Å; Y247-K382 PolarHBondContact O-NZ 3.34Å; Y247-L383 HydrophobicContact CD1-CD2 3.63Å; Y247-L383 HydrophobicContact CD1-CG 3.78Å; Y247-L383 HydrophobicContact CE1-CB 4.47Å; Y247-L383 HydrophobicContact CE1-CD2 3.44Å; Y247-L383 VanDerWaalsContact CE1-CD2 3.44Å; Y247-L383 HydrophobicContact CE1-CG 3.67Å
248A89.8Confident92.6Very high27 Ų2748.3 Ų48.322%0.22326%0.264CS..Hα-helixtrans-63.3-42.3175.900000111.7I244 D245 A379 K382I244-A248 VanDerWaalsContact O-CB 3.26Å; I244-A248 WeakPolarHBondContact O-CB 3.44Å; I244-A248 PolarHBondContact O-N 3.25Å; D245-A248 PolarHBondContact O-N 3.1Å; A248-A379 HydrophobicContact CB-CB 4.29Å; A248-K382 PolarHBondContact O-NZ 2.99Å
249D88.9Confident93Very high117 Ų11745 Ų4563%0.62626%0.255SS*.Hα-helixtrans-81.9-16.4178.276.910.2000114.2D245 G246 S251D245-D249 VanDerWaalsContact O-CG 3.32Å; D245-D249 PolarHBondContact O-N 3.16Å; G246-D249 WeakPolarHBondContact CA-OD1 3.4Å; D249-S251 WeakPolarHBondContact OD1-CB 3.29Å; D249-S251 PolarHBondContact OD1-N 2.92Å; D249-S251 PolarHBondContact OD1-OG 2.77Å
250G84.7Confident93.2Very high48 Ų4843.7 Ų43.750%0.49525%0.25SC..THydrogen-bonded Turntrans897.4177.300000115.1G246 Y247 I252G246-G250 CarbonylContact O-C 3.41Å; G246-G250 PolarHBondContact O-N 2.96Å; Y247-G250 PolarHBondContact O-N 2.81Å; G250-I252 VanDerWaalsContact C-N 3.28Å
251S85.4Confident93.3Very high83 Ų8343.6 Ų43.658%0.5825%0.249SC*.SBendtrans-68.5-27171.462.40000112.7G246 D249G246-S251 WeakPolarHBondContact CA-OG 3.29Å; G246-S251 PolarHBondContact O-N 2.81Å; G246-S251 PolarHBondContact O-OG 3.39Å; G246-S251 VanDerWaalsContact O-OG 3.12Å; D249-S251 WeakPolarHBondContact OD1-CB 3.29Å; D249-S251 PolarHBondContact OD1-N 2.92Å; D249-S251 PolarHBondContact OD1-OG 2.77Å
252I87.4Confident93.6Very high8 Ų844.8 Ų44.84%0.04125%0.254CS..SBendtrans-96.6118.5170.9-63.3172.6000109.2M222 F242 G246 Y247 G250 Q256M222-I252 HydrophobicContact CG-CG2 4.1Å; M222-I252 HydrophobicContact SD-CD1 3.95Å; M222-I252 HydrophobicContact SD-CG2 4.2Å; F242-I252 HydrophobicContact CE1-CD1 4.11Å; G246-I252 PolarHBondContact O-N 2.86Å; Y247-I252 WeakPolarHBondContact CD2-O 3.28Å; G250-I252 VanDerWaalsContact C-N 3.28Å; I252-Q256 HydrophobicContact CG2-CB 4.23Å
253P91.9Very high93.9Very high40 Ų4041.9 Ų41.926%0.2624%0.244SC..  trans-80.2154.6-179.331.9-35000112.6Y255 Q256 M257P253-Y255 VanDerWaalsContact C-N 3.27Å; P253-Y255 HydrophobicContact CB-CD1 3.84Å; P253-Y255 HydrophobicContact CB-CE1 3.46Å; P253-Y255 VanDerWaalsContact CB-CE1 3.46Å; P253-Y255 HydrophobicContact CG-CD1 3.99Å; P253-Y255 HydrophobicContact CG-CD2 4.49Å; P253-Y255 HydrophobicContact CG-CE1 3.36Å; P253-Y255 HydrophobicContact CG-CE2 3.93Å; P253-Y255 WeakPolarHBondContact CG-OH 3.34Å; P253-Y255 PolarHBondContact O-N 2.85Å; P253-Y255 VanDerWaalsContact O-N 3.11Å; P253-Q256 HydrophobicContact CG-CG 4.1Å; P253-Q256 PolarHBondContact O-N 2.88Å; P253-M257 PolarHBondContact O-N 2.87Å
254D96.7Very high94Very high89 Ų8942 Ų4248%0.47624%0.244SC..Hα-helixtrans-49.9-42.4-177-72.4-25.8000113.5Y247 Q256 M257 S258 L386Y247-D254 WeakPolarHBondContact CE2-OD1 3.35Å; Y247-D254 PolarHBondContact OH-OD1 2.88Å; D254-Q256 VanDerWaalsContact C-N 3.26Å; D254-Q256 PolarHBondContact O-N 2.81Å; D254-M257 CarbonylContact O-C 3.59Å; D254-M257 PolarHBondContact O-N 2.98Å; D254-S258 PolarHBondContact O-N 3.22Å; D254-S258 PolarHBondContact O-OG 2.86Å; D254-L386 HydrophobicContact CB-CD1 4Å; D254-L386 HydrophobicContact CB-CD2 4.4Å
255Y97.1Very high94Very high165 Ų16545.6 Ų45.665%0.64726%0.26SS*.Hα-helixtrans-63.5-29.2-176.662.9-100.1000113.7P253 A259P253-Y255 VanDerWaalsContact C-N 3.27Å; P253-Y255 HydrophobicContact CB-CD1 3.84Å; P253-Y255 HydrophobicContact CB-CE1 3.46Å; P253-Y255 VanDerWaalsContact CB-CE1 3.46Å; P253-Y255 HydrophobicContact CG-CD1 3.99Å; P253-Y255 HydrophobicContact CG-CD2 4.49Å; P253-Y255 HydrophobicContact CG-CE1 3.36Å; P253-Y255 HydrophobicContact CG-CE2 3.93Å; P253-Y255 WeakPolarHBondContact CG-OH 3.34Å; P253-Y255 PolarHBondContact O-N 2.85Å; P253-Y255 VanDerWaalsContact O-N 3.11Å; Y255-A259 PolarHBondContact O-N 3.06Å
256Q97.4Very high94.3Very high49 Ų4949.8 Ų49.823%0.22927%0.27CS..Hα-helixtrans-76.6-40.5173.6-66.5-171.4-42.300110.5M222 I226 I252 P253 D254 A259 L260M222-Q256 HydrophobicContact CB-CB 4.47Å; M222-Q256 HydrophobicContact CG-CB 3.62Å; M222-Q256 HydrophobicContact CG-CG 4.24Å; I226-Q256 HydrophobicContact CD1-CB 4.11Å; I226-Q256 WeakPolarHBondContact CD1-O 2.9Å; I252-Q256 HydrophobicContact CG2-CB 4.23Å; P253-Q256 HydrophobicContact CG-CG 4.1Å; P253-Q256 PolarHBondContact O-N 2.88Å; D254-Q256 VanDerWaalsContact C-N 3.26Å; D254-Q256 PolarHBondContact O-N 2.81Å; Q256-A259 PolarHBondContact O-N 2.94Å; Q256-L260 PolarHBondContact O-N 3.32Å
257M98.1Very high94.8Very high4 Ų453.8 Ų53.82%0.0229%0.288CS..Hα-helixtrans-64.8-40.1176.7-163.359.7-15800111.4M222 I243 Y247 P253 D254 A259 L260 L261 L383 L386M222-M257 HydrophobicContact CE-SD 4.36Å; I243-M257 HydrophobicContact CG2-CE 3.99Å; I243-M257 HydrophobicContact CG2-SD 3.79Å; Y247-M257 HydrophobicContact CD1-CG 4.19Å; Y247-M257 HydrophobicContact CD2-CB 4.09Å; Y247-M257 HydrophobicContact CD2-CG 4.17Å; Y247-M257 HydrophobicContact CE1-CG 4.17Å; Y247-M257 HydrophobicContact CE2-CB 4Å; Y247-M257 HydrophobicContact CE2-CG 4.2Å; Y247-M257 HydrophobicContact CG-CG 4.2Å; P253-M257 PolarHBondContact O-N 2.87Å; D254-M257 CarbonylContact O-C 3.59Å; D254-M257 PolarHBondContact O-N 2.98Å; M257-A259 VanDerWaalsContact C-N 3.31Å; M257-A259 PolarHBondContact O-N 2.78Å; M257-L260 HydrophobicContact CE-CD2 3.92Å; M257-L260 PolarHBondContact O-N 3.34Å; M257-L260 VanDerWaalsContact O-N 3.16Å; M257-L260 HydrophobicContact SD-CD2 4.07Å; M257-L261 HydrophobicContact CE-CD2 4.05Å; M257-L261 HydrophobicContact CE-CG 4.22Å; M257-L261 HydrophobicContact CG-CD1 4.37Å; M257-L261 HydrophobicContact CG-CG 4.42Å; M257-L261 WeakPolarHBondContact O-CB 3.47Å; M257-L261 VanDerWaalsContact O-CG 3.25Å; M257-L261 WeakPolarHBondContact O-CG 3.26Å; M257-L261 PolarHBondContact O-N 2.8Å; M257-L383 HydrophobicContact CE-CD1 4.25Å; M257-L383 HydrophobicContact CE-CD2 3.28Å; M257-L383 HydrophobicContact CE-CG 4.41Å; M257-L383 HydrophobicContact CG-CD2 3.44Å; M257-L383 VanDerWaalsContact CG-CD2 3.44Å; M257-L383 HydrophobicContact SD-CD2 4Å; M257-L386 HydrophobicContact CB-CD2 3.75Å; M257-L386 HydrophobicContact CG-CD2 3.96Å
258S98.1Very high94.9Very high29 Ų2956.1 Ų56.120%0.20330%0.301CS..Hα-helixtrans-57.8-42.4173.6-54.50000112D254 L261 M262D254-S258 PolarHBondContact O-N 3.22Å; D254-S258 PolarHBondContact O-OG 2.86Å; S258-L261 PolarHBondContact O-N 3.06Å; S258-M262 PolarHBondContact O-N 2.85Å
259A98.4Very high95.3Very high42 Ų4255.4 Ų55.435%0.34729%0.293SS..Hα-helixtrans-65.3-40.7177.300000111.8I226 Y255 Q256 M257 A263I226-A259 HydrophobicContact CD1-CB 4.06Å; I226-A259 HydrophobicContact CG2-CB 4.16Å; Y255-A259 PolarHBondContact O-N 3.06Å; Q256-A259 PolarHBondContact O-N 2.94Å; M257-A259 VanDerWaalsContact C-N 3.31Å; M257-A259 PolarHBondContact O-N 2.78Å; A259-A263 PolarHBondContact O-N 2.74Å
260L98.5Very high95.6Very high2 Ų253.1 Ų53.11%0.0128%0.284CS..Hα-helixtrans-65.5-45.4174.3177.962.6000111.9M222 I226 K229 L235 I243 Q256 M257 M262 A263 I264M222-L260 HydrophobicContact CE-CB 3.69Å; M222-L260 HydrophobicContact CE-CD2 3.48Å; M222-L260 VanDerWaalsContact CE-CD2 3.48Å; M222-L260 HydrophobicContact CE-CG 4.14Å; I226-L260 HydrophobicContact CG1-CB 4.04Å; K229-L260 HydrophobicContact CB-CD1 3.89Å; K229-L260 HydrophobicContact CG-CD1 4.07Å; L235-L260 HydrophobicContact CD1-CD1 4.13Å; I243-L260 HydrophobicContact CD1-CD2 3.7Å; I243-L260 HydrophobicContact CG1-CD2 4.26Å; I243-L260 HydrophobicContact CG2-CD2 3.75Å; Q256-L260 PolarHBondContact O-N 3.32Å; M257-L260 HydrophobicContact CE-CD2 3.92Å; M257-L260 PolarHBondContact O-N 3.34Å; M257-L260 VanDerWaalsContact O-N 3.16Å; M257-L260 HydrophobicContact SD-CD2 4.07Å; L260-M262 VanDerWaalsContact C-N 3.26Å; L260-M262 PolarHBondContact O-N 2.71Å; L260-A263 CarbonylContact O-C 3.51Å; L260-A263 WeakPolarHBondContact O-CA 3.39Å; L260-A263 WeakPolarHBondContact O-CB 3.26Å; L260-A263 PolarHBondContact O-N 3Å; L260-I264 HydrophobicContact CD1-CD1 4.23Å; L260-I264 HydrophobicContact CD1-CG1 4.29Å; L260-I264 HydrophobicContact CD2-CD1 4.41Å; L260-I264 HydrophobicContact CG-CD1 3.92Å; L260-I264 HydrophobicContact CG-CG1 4.42Å; L260-I264 WeakPolarHBondContact O-CG1 3.21Å; L260-I264 PolarHBondContact O-N 3.05Å
261L98.4Very high95.9Very high0 Ų053.9 Ų53.90%028%0.276CS..Hα-helixtrans-58.2-40.7178.5-70.6172.1000111.3M257 S258 I264 F265 L383 L386 R387 T392 L398M257-L261 HydrophobicContact CE-CD2 4.05Å; M257-L261 HydrophobicContact CE-CG 4.22Å; M257-L261 HydrophobicContact CG-CD1 4.37Å; M257-L261 HydrophobicContact CG-CG 4.42Å; M257-L261 WeakPolarHBondContact O-CB 3.47Å; M257-L261 VanDerWaalsContact O-CG 3.25Å; M257-L261 WeakPolarHBondContact O-CG 3.26Å; M257-L261 PolarHBondContact O-N 2.8Å; S258-L261 PolarHBondContact O-N 3.06Å; L261-I264 PolarHBondContact O-N 2.84Å; L261-F265 WeakPolarHBondContact O-CB 3.4Å; L261-F265 PolarHBondContact O-N 3.34Å; L261-L383 HydrophobicContact CD1-CD2 4.28Å; L261-L383 HydrophobicContact CD2-CD2 4.26Å; L261-L386 HydrophobicContact CD1-CB 4.46Å; L261-L386 HydrophobicContact CD1-CD2 3.81Å; L261-L386 HydrophobicContact CD1-CG 4.07Å; L261-R387 HydrophobicContact CD1-CG 4.04Å; L261-R387 HydrophobicContact CD2-CG 4.36Å; L261-T392 HydrophobicContact CB-CG2 4.04Å; L261-L398 HydrophobicContact CD2-CD1 3.56Å; L261-L398 HydrophobicContact CD2-CD2 3.92Å; L261-L398 HydrophobicContact CD2-CG 4.42Å
262M98.3Very high96.1Very high64 Ų6456.3 Ų56.332%0.31528%0.278SS..Hα-helixtrans-68.9-36.2175.2-169.156.764.800112.3S258 L260 F265 Y266 T392S258-M262 PolarHBondContact O-N 2.85Å; L260-M262 VanDerWaalsContact C-N 3.26Å; L260-M262 PolarHBondContact O-N 2.71Å; M262-F265 WeakPolarHBondContact O-CB 3.36Å; M262-F265 PolarHBondContact O-N 3.04Å; M262-F265 HydrophobicContact SD-CB 4.36Å; M262-F265 HydrophobicContact SD-CD1 4.42Å; M262-Y266 HydrophobicContact CG-CD2 4.07Å; M262-Y266 HydrophobicContact CG-CE2 3.94Å; M262-Y266 WeakPolarHBondContact O-CD2 3.48Å; M262-Y266 PolarHBondContact O-N 3.02Å; M262-Y266 HydrophobicContact SD-CD2 3.9Å; M262-Y266 HydrophobicContact SD-CE2 3.45Å; M262-Y266 WeakPolarHBondContact SD-CE2 3.42Å; M262-T392 HydrophobicContact CE-CG2 3.84Å
263A98.3Very high96.6Very high12 Ų1256.1 Ų56.110%0.09928%0.277CS..Hα-helixtrans-63.6-43.7172.600000111.6K229 A259 L260 F265 Y266 Q267K229-A263 HydrophobicContact CB-CB 4.22Å; K229-A263 HydrophobicContact CG-CB 4.01Å; A259-A263 PolarHBondContact O-N 2.74Å; L260-A263 CarbonylContact O-C 3.51Å; L260-A263 WeakPolarHBondContact O-CA 3.39Å; L260-A263 WeakPolarHBondContact O-CB 3.26Å; L260-A263 PolarHBondContact O-N 3Å; A263-F265 VanDerWaalsContact C-N 3.33Å; A263-F265 PolarHBondContact O-N 3Å; A263-Y266 PolarHBondContact O-N 3.04Å; A263-Q267 VanDerWaalsContact O-CB 3.22Å; A263-Q267 WeakPolarHBondContact O-CB 3.4Å; A263-Q267 WeakPolarHBondContact O-CG 3.38Å; A263-Q267 PolarHBondContact O-N 3.31Å
264I98.3Very high96.8Very high3 Ų354.3 Ų54.32%0.01527%0.266CS..Hα-helixtrans-60.9-42.2173.6-70.4167.3000110.8K229 L260 L261 Y266 D268 M269 L398K229-I264 HydrophobicContact CG-CG1 4.12Å; L260-I264 HydrophobicContact CD1-CD1 4.23Å; L260-I264 HydrophobicContact CD1-CG1 4.29Å; L260-I264 HydrophobicContact CD2-CD1 4.41Å; L260-I264 HydrophobicContact CG-CD1 3.92Å; L260-I264 HydrophobicContact CG-CG1 4.42Å; L260-I264 WeakPolarHBondContact O-CG1 3.21Å; L260-I264 PolarHBondContact O-N 3.05Å; L261-I264 PolarHBondContact O-N 2.84Å; I264-Y266 VanDerWaalsContact C-N 3.31Å; I264-Y266 PolarHBondContact O-N 2.86Å; I264-D268 VanDerWaalsContact O-CA 3.3Å; I264-D268 WeakPolarHBondContact O-CA 3.45Å; I264-D268 PolarHBondContact O-N 3.3Å; I264-M269 HydrophobicContact CD1-SD 3.99Å; I264-M269 HydrophobicContact CG1-CG 4.37Å; I264-M269 HydrophobicContact CG1-SD 4.1Å; I264-M269 HydrophobicContact CG2-CG 3.89Å; I264-M269 HydrophobicContact CG2-SD 3.7Å; I264-L398 HydrophobicContact CD1-CD2 4.3Å; I264-L398 HydrophobicContact CG2-CD1 4.28Å; I264-L398 HydrophobicContact CG2-CD2 4.08Å; I264-L398 HydrophobicContact CG2-CG 4.01Å
265F96.7Very high96.7Very high76 Ų7650.4 Ų50.433%0.33325%0.246SC..Hα-helixtrans-57.5-44.1179.1-174.8-86.9000112.1L261 M262 A263 T392 D394L261-F265 WeakPolarHBondContact O-CB 3.4Å; L261-F265 PolarHBondContact O-N 3.34Å; M262-F265 WeakPolarHBondContact O-CB 3.36Å; M262-F265 PolarHBondContact O-N 3.04Å; M262-F265 HydrophobicContact SD-CB 4.36Å; M262-F265 HydrophobicContact SD-CD1 4.42Å; A263-F265 VanDerWaalsContact C-N 3.33Å; A263-F265 PolarHBondContact O-N 3Å; F265-T392 HydrophobicContact CB-CG2 4.31Å; F265-D394 HydrophobicContact CE2-CB 4.37Å
266Y97.4Very high96.6Very high175 Ų17544.5 Ų44.569%0.68622%0.224SC*.Hα-helixtrans-85.1-31.1-179.1-76-62.7000114.8M262 A263 I264M262-Y266 HydrophobicContact CG-CD2 4.07Å; M262-Y266 HydrophobicContact CG-CE2 3.94Å; M262-Y266 WeakPolarHBondContact O-CD2 3.48Å; M262-Y266 PolarHBondContact O-N 3.02Å; M262-Y266 HydrophobicContact SD-CD2 3.9Å; M262-Y266 HydrophobicContact SD-CE2 3.45Å; M262-Y266 WeakPolarHBondContact SD-CE2 3.42Å; A263-Y266 PolarHBondContact O-N 3.04Å; I264-Y266 VanDerWaalsContact C-N 3.31Å; I264-Y266 PolarHBondContact O-N 2.86Å
267Q97.4Very high96.7Very high89 Ų8942.4 Ų42.442%0.41621%0.214SC..Hα-helixtrans-99.1-7.7-174-63.6-69.9-600113.6K229 R230 A263K229-Q267 WeakPolarHBondContact O-CG 3.47Å; R230-Q267 PolarHBondContact O-NE2 3.38Å; A263-Q267 VanDerWaalsContact O-CB 3.22Å; A263-Q267 WeakPolarHBondContact O-CB 3.4Å; A263-Q267 WeakPolarHBondContact O-CG 3.38Å; A263-Q267 PolarHBondContact O-N 3.31Å
268D96Very high96.6Very high57 Ų5742.2 Ų42.231%0.30521%0.213SC..  trans62.2-174.6-175.5-154.5-3.6000112.5K229 I264 P397 R435K229-D268 WeakPolarHBondContact CE-O 3.5Å; K229-D268 PolarHBondContact NZ-O 2.87Å; I264-D268 VanDerWaalsContact O-CA 3.3Å; I264-D268 WeakPolarHBondContact O-CA 3.45Å; I264-D268 PolarHBondContact O-N 3.3Å; D268-P397 WeakPolarHBondContact OD1-CG 2.98Å; D268-R435 IonicContact OD1-CZ 3.34Å; D268-R435 IonicContact OD1-NH2 3.66Å; D268-R435 PolarHBondContact OD1-NH2 3.26Å; D268-R435 IonicContact OD2-CZ 2.87Å; D268-R435 IonicContact OD2-NH1 3.65Å; D268-R435 IonicContact OD2-NH2 2.83Å; D268-R435 PolarHBondContact OD2-NH2 3.36Å
269M97.6Very high96.5Very high12 Ų1243.4 Ų43.46%0.05922%0.217CC..  trans-134.1146170.3-68.3175.281.900110.3L240 I264 E273 I274 L277 P397L240-M269 HydrophobicContact CD2-CE 4.16Å; I264-M269 HydrophobicContact CD1-SD 3.99Å; I264-M269 HydrophobicContact CG1-CG 4.37Å; I264-M269 HydrophobicContact CG1-SD 4.1Å; I264-M269 HydrophobicContact CG2-CG 3.89Å; I264-M269 HydrophobicContact CG2-SD 3.7Å; M269-E273 HydrophobicContact CB-CB 3.95Å; M269-E273 HydrophobicContact CE-CB 3.63Å; M269-E273 HydrophobicContact CE-CG 4.46Å; M269-E273 HydrophobicContact CG-CB 4.39Å; M269-I274 HydrophobicContact CB-CD1 4.2Å; M269-I274 HydrophobicContact CB-CG1 3.56Å; M269-L277 HydrophobicContact CE-CB 3.94Å; M269-L277 HydrophobicContact CE-CD2 3.72Å; M269-L277 HydrophobicContact CE-CG 4.4Å; M269-L277 HydrophobicContact SD-CD2 3.77Å; M269-P397 HydrophobicContact CB-CB 4.03Å; M269-P397 HydrophobicContact CB-CG 4.15Å; M269-P397 HydrophobicContact CG-CB 4.19Å; M269-P397 HydrophobicContact SD-CB 4.02Å
270T94.8Very high96.4Very high68 Ų6841.6 Ų41.642%0.41720%0.202SC..  trans-68157.9168.6610000110.8E272 E273 I274T270-E272 PolarHBondContact O-N 2.86Å; T270-E273 WeakPolarHBondContact CG2-OE2 3.18Å; T270-E273 PolarHBondContact N-OE2 3.04Å; T270-E273 WeakPolarHBondContact O-CB 3.46Å; T270-E273 PolarHBondContact O-N 3.1Å; T270-E273 VanDerWaalsContact O-N 3.15Å; T270-E273 WeakPolarHBondContact OG1-CB 3.31Å; T270-E273 VanDerWaalsContact OG1-CG 3.28Å; T270-E273 WeakPolarHBondContact OG1-CG 3.38Å; T270-E273 PolarHBondContact OG1-N 2.84Å; T270-E273 PolarHBondContact OG1-OE2 2.93Å; T270-I274 VanDerWaalsContact O-CG1 3.29Å; T270-I274 WeakPolarHBondContact O-CG1 3.3Å; T270-I274 PolarHBondContact O-N 3.47Å
271D90.8Very high96.4Very high64 Ų6441.7 Ų41.734%0.34220%0.202SC..Hα-helixtrans-56.9-34.4178.3-71.2-16.9000112.8S275 R442D271-S275 WeakPolarHBondContact O-CB 3.25Å; D271-S275 PolarHBondContact O-N 3.47Å; D271-S275 PolarHBondContact O-OG 3.45Å; D271-R442 IonicContact OD1-NH1 2.89Å; D271-R442 IonicContact OD2-CZ 3.83Å; D271-R442 IonicContact OD2-NH1 3.33Å; D271-R442 PolarHBondContact OD2-NH1 3.36Å
272E91.5Very high96.2Very high134 Ų13441.7 Ų41.763%0.62620%0.202SC*.Hα-helixtrans-68.3-48.2176.9-174.8170-153.200111.1T270 I274 S275 H276T270-E272 PolarHBondContact O-N 2.86Å; E272-I274 VanDerWaalsContact C-N 3.34Å; E272-I274 PolarHBondContact O-N 2.83Å; E272-S275 PolarHBondContact O-N 3.22Å; E272-H276 WeakPolarHBondContact CG-NE2 3.29Å; E272-H276 PolarHBondContact O-CD2 2.94Å; E272-H276 PolarHBondContact O-N 3.42Å; E272-H276 IonicContact OE1-NE2 2.84Å
273E96.7Very high96.1Very high4 Ų443.6 Ų43.62%0.01921%0.214CC..Hα-helixtrans-56.4-45.8173.5-81.6176.5109.600112.2K229 A234 L235 L240 M269 T270 S275 H276 L277K229-E273 IonicContact NZ-OE1 3.46Å; K229-E273 PolarHBondContact NZ-OE1 3.39Å; K229-E273 IonicContact NZ-OE2 3.42Å; K229-E273 PolarHBondContact NZ-OE2 3.34Å; A234-E273 VanDerWaalsContact CA-OE1 3.3Å; A234-E273 WeakPolarHBondContact CA-OE1 3.4Å; A234-E273 HydrophobicContact CB-CG 4.01Å; L235-E273 PolarHBondContact N-OE1 3.41Å; L235-E273 WeakPolarHBondContact O-CG 2.81Å; L240-E273 WeakPolarHBondContact CD1-O 3.26Å; M269-E273 HydrophobicContact CB-CB 3.95Å; M269-E273 HydrophobicContact CE-CB 3.63Å; M269-E273 HydrophobicContact CE-CG 4.46Å; M269-E273 HydrophobicContact CG-CB 4.39Å; T270-E273 WeakPolarHBondContact CG2-OE2 3.18Å; T270-E273 PolarHBondContact N-OE2 3.04Å; T270-E273 WeakPolarHBondContact O-CB 3.46Å; T270-E273 PolarHBondContact O-N 3.1Å; T270-E273 VanDerWaalsContact O-N 3.15Å; T270-E273 WeakPolarHBondContact OG1-CB 3.31Å; T270-E273 VanDerWaalsContact OG1-CG 3.28Å; T270-E273 WeakPolarHBondContact OG1-CG 3.38Å; T270-E273 PolarHBondContact OG1-N 2.84Å; T270-E273 PolarHBondContact OG1-OE2 2.93Å; E273-S275 VanDerWaalsContact C-N 3.31Å; E273-S275 PolarHBondContact O-N 3.16Å; E273-H276 PolarHBondContact O-N 3.47Å; E273-L277 VanDerWaalsContact O-CB 3.26Å; E273-L277 WeakPolarHBondContact O-CB 3.37Å; E273-L277 PolarHBondContact O-N 2.82Å
274I96.6Very high95.8Very high2 Ų244 Ų441%0.0122%0.216CC..Hα-helixtrans-61.5-43.1179.6-65.6172000110.4M269 T270 E272 L277 T278 P397 T439 I443M269-I274 HydrophobicContact CB-CD1 4.2Å; M269-I274 HydrophobicContact CB-CG1 3.56Å; T270-I274 VanDerWaalsContact O-CG1 3.29Å; T270-I274 WeakPolarHBondContact O-CG1 3.3Å; T270-I274 PolarHBondContact O-N 3.47Å; E272-I274 VanDerWaalsContact C-N 3.34Å; E272-I274 PolarHBondContact O-N 2.83Å; I274-L277 PolarHBondContact O-N 3.04Å; I274-T278 WeakPolarHBondContact O-CB 3.5Å; I274-T278 PolarHBondContact O-N 3.29Å; I274-T278 PolarHBondContact O-OG1 3.49Å; I274-P397 HydrophobicContact CD1-CB 4.02Å; I274-P397 HydrophobicContact CD1-CG 4.09Å; I274-P397 HydrophobicContact CG1-CB 3.95Å; I274-P397 HydrophobicContact CG1-CG 4.47Å; I274-T439 HydrophobicContact CD1-CG2 3.8Å; I274-T439 HydrophobicContact CG2-CG2 3.91Å; I274-I443 HydrophobicContact CG2-CD1 3.44Å; I274-I443 VanDerWaalsContact CG2-CD1 3.44Å; I274-I443 HydrophobicContact CG2-CG1 3.8Å
275S94.1Very high95.5Very high8 Ų845.1 Ų45.16%0.05623%0.228CC..Hα-helixtrans-67.9-43-179.2-57.80000111.5D271 E272 E273 T278 L279 L446D271-S275 WeakPolarHBondContact O-CB 3.25Å; D271-S275 PolarHBondContact O-N 3.47Å; D271-S275 PolarHBondContact O-OG 3.45Å; E272-S275 PolarHBondContact O-N 3.22Å; E273-S275 VanDerWaalsContact C-N 3.31Å; E273-S275 PolarHBondContact O-N 3.16Å; S275-T278 PolarHBondContact O-N 3.15Å; S275-L279 WeakPolarHBondContact O-CB 3.47Å; S275-L279 VanDerWaalsContact O-CG 3.31Å; S275-L279 WeakPolarHBondContact O-CG 3.35Å; S275-L279 PolarHBondContact O-N 3.14Å; S275-L446 WeakPolarHBondContact OG-CD1 3.45Å
276H96Very high95.2Very high40 Ų4045.4 Ų45.419%0.18523%0.233CC..Hα-helixtrans-63-45.5174-68.7-38.5000112.2K237 L240 E272 E273 T278 L279 A280K237-H276 HydrophobicContact CB-CB 4.49Å; K237-H276 HydrophobicContact CG-CB 4.48Å; L240-H276 HydrophobicContact CD1-CB 3.58Å; E272-H276 WeakPolarHBondContact CG-NE2 3.29Å; E272-H276 PolarHBondContact O-CD2 2.94Å; E272-H276 PolarHBondContact O-N 3.42Å; E272-H276 IonicContact OE1-NE2 2.84Å; E273-H276 PolarHBondContact O-N 3.47Å; H276-T278 VanDerWaalsContact C-N 3.31Å; H276-T278 PolarHBondContact O-N 2.75Å; H276-L279 PolarHBondContact O-N 3.18Å; H276-A280 WeakPolarHBondContact O-CB 3.32Å; H276-A280 PolarHBondContact O-N 2.88Å
277L98.2Very high94.9Very high5 Ų540.8 Ų40.83%0.02622%0.22CC..Hα-helixtrans-58.6-44.6175.4174.462.7000111.3L240 I244 M269 E273 I274 M281 L398L240-L277 HydrophobicContact CD1-CB 4.4Å; L240-L277 HydrophobicContact CD2-CB 4.32Å; L240-L277 HydrophobicContact CD2-CD1 4.36Å; I244-L277 HydrophobicContact CD1-CD1 3.66Å; I244-L277 HydrophobicContact CG1-CD1 3.92Å; M269-L277 HydrophobicContact CE-CB 3.94Å; M269-L277 HydrophobicContact CE-CD2 3.72Å; M269-L277 HydrophobicContact CE-CG 4.4Å; M269-L277 HydrophobicContact SD-CD2 3.77Å; E273-L277 VanDerWaalsContact O-CB 3.26Å; E273-L277 WeakPolarHBondContact O-CB 3.37Å; E273-L277 PolarHBondContact O-N 2.82Å; I274-L277 PolarHBondContact O-N 3.04Å; L277-M281 HydrophobicContact CD1-CE 4.47Å; L277-M281 HydrophobicContact CD1-CG 4.39Å; L277-M281 HydrophobicContact CD1-SD 4.5Å; L277-M281 HydrophobicContact CG-CE 4.11Å; L277-M281 WeakPolarHBondContact O-CG 3.29Å; L277-M281 PolarHBondContact O-N 3.4Å; L277-L398 HydrophobicContact CD2-CD2 3.99Å
278T97.5Very high94.6Very high0 Ų037.6 Ų37.60%021%0.205CC..Hα-helixtrans-62.4-47.3178.8-55.70000111.4I274 S275 H276 M281 A282 S401 M404 S405 I408 I443I274-T278 WeakPolarHBondContact O-CB 3.5Å; I274-T278 PolarHBondContact O-N 3.29Å; I274-T278 PolarHBondContact O-OG1 3.49Å; S275-T278 PolarHBondContact O-N 3.15Å; H276-T278 VanDerWaalsContact C-N 3.31Å; H276-T278 PolarHBondContact O-N 2.75Å; T278-M281 PolarHBondContact O-N 3.45Å; T278-A282 WeakPolarHBondContact O-CB 3.31Å; T278-A282 PolarHBondContact O-N 2.99Å; T278-S401 VanDerWaalsContact OG1-CA 3.28Å; T278-S401 WeakPolarHBondContact OG1-CA 3.22Å; T278-S401 VanDerWaalsContact OG1-CB 3.31Å; T278-S401 WeakPolarHBondContact OG1-CB 3.25Å; T278-S401 PolarHBondContact OG1-OG 3.01Å; T278-M404 HydrophobicContact CG2-CB 3.76Å; T278-S405 WeakPolarHBondContact O-CB 3.29Å; T278-I408 HydrophobicContact CG2-CD1 3.88Å; T278-I443 HydrophobicContact CG2-CG2 3.68Å
279L96Very high94.3Very high55 Ų5540.3 Ų40.329%0.28822%0.22SC..Hα-helixtrans-67.9-39.8-178.7-70174.7000111.6S275 H276 M281 A282 N283 A447S275-L279 WeakPolarHBondContact O-CB 3.47Å; S275-L279 VanDerWaalsContact O-CG 3.31Å; S275-L279 WeakPolarHBondContact O-CG 3.35Å; S275-L279 PolarHBondContact O-N 3.14Å; H276-L279 PolarHBondContact O-N 3.18Å; L279-M281 VanDerWaalsContact C-N 3.33Å; L279-M281 PolarHBondContact O-N 3.19Å; L279-A282 PolarHBondContact O-N 3.47Å; L279-N283 WeakPolarHBondContact O-CB 3.44Å; L279-N283 PolarHBondContact O-N 3.35Å; L279-N283 PolarHBondContact O-ND2 3.01Å; L279-A447 HydrophobicContact CD2-CB 3.99Å
280A96.5Very high94.1Very high4 Ų440 Ų403%0.03322%0.218CC..Hα-helixtrans-59.4-45.2173.200000110.8I244 H276 N283 S284I244-A280 HydrophobicContact CB-CB 3.9Å; I244-A280 HydrophobicContact CG1-CB 3.87Å; I244-A280 HydrophobicContact CG2-CB 4.04Å; H276-A280 WeakPolarHBondContact O-CB 3.32Å; H276-A280 PolarHBondContact O-N 2.88Å; A280-N283 PolarHBondContact O-N 3Å; A280-S284 PolarHBondContact O-N 2.96Å
281M97.3Very high94Very high4 Ų441 Ų412%0.0223%0.228CC..Hα-helixtrans-64.8-41.4175.8-74.2-167-59.800112.8I244 L277 T278 L279 N283 S284 A377 A379 D380 L383 S401I244-M281 HydrophobicContact CD1-CG 3.79Å; I244-M281 HydrophobicContact CG1-CG 4.26Å; I244-M281 HydrophobicContact CG2-CG 4.3Å; L277-M281 HydrophobicContact CD1-CE 4.47Å; L277-M281 HydrophobicContact CD1-CG 4.39Å; L277-M281 HydrophobicContact CD1-SD 4.5Å; L277-M281 HydrophobicContact CG-CE 4.11Å; L277-M281 WeakPolarHBondContact O-CG 3.29Å; L277-M281 PolarHBondContact O-N 3.4Å; T278-M281 PolarHBondContact O-N 3.45Å; L279-M281 VanDerWaalsContact C-N 3.33Å; L279-M281 PolarHBondContact O-N 3.19Å; M281-N283 VanDerWaalsContact C-N 3.32Å; M281-N283 PolarHBondContact O-N 3.46Å; M281-S284 WeakPolarHBondContact O-CB 3.49Å; M281-S284 PolarHBondContact O-N 3.39Å; M281-S284 PolarHBondContact O-OG 3.32Å; M281-A377 VanDerWaalsContact O-CA 3.31Å; M281-A377 WeakPolarHBondContact O-CA 3.22Å; M281-A377 WeakPolarHBondContact O-CB 3.42Å; M281-A379 HydrophobicContact CG-CB 4.19Å; M281-D380 HydrophobicContact SD-CB 4.12Å; M281-L383 HydrophobicContact CG-CD1 4.4Å; M281-L383 HydrophobicContact SD-CD1 3.59Å; M281-L383 VanDerWaalsContact SD-CD1 3.59Å; M281-S401 VanDerWaalsContact CE-O 3.3Å; M281-S401 WeakPolarHBondContact CE-O 3.44Å
282A95.2Very high94.2Very high0 Ų041.1 Ų41.10%023%0.234CC..Hα-helixtrans-60.9-43.3177.200000111.3T278 L279 S284 I287 I408T278-A282 WeakPolarHBondContact O-CB 3.31Å; T278-A282 PolarHBondContact O-N 2.99Å; L279-A282 PolarHBondContact O-N 3.47Å; A282-S284 VanDerWaalsContact C-N 3.3Å; A282-S284 PolarHBondContact O-N 3.35Å; A282-I287 HydrophobicContact CB-CD1 4.38Å; A282-I287 VanDerWaalsContact O-CD1 3.23Å; A282-I287 WeakPolarHBondContact O-CD1 3.43Å; A282-I408 HydrophobicContact CB-CB 4.34Å; A282-I408 HydrophobicContact CB-CG2 4.13Å
283N94.5Very high94.3Very high103 Ų10334.9 Ų34.955%0.55121%0.205SC*.Hα-helixtrans-82.1-1.3-179.2-65.8-55000114.3L279 A280 M281 G285L279-N283 WeakPolarHBondContact O-CB 3.44Å; L279-N283 PolarHBondContact O-N 3.35Å; L279-N283 PolarHBondContact O-ND2 3.01Å; A280-N283 PolarHBondContact O-N 3Å; M281-N283 VanDerWaalsContact C-N 3.32Å; M281-N283 PolarHBondContact O-N 3.46Å; N283-G285 PolarHBondContact O-N 3.29Å; N283-G285 VanDerWaalsContact O-N 3.11Å
284S93.4Very high94.2Very high21 Ų2141.2 Ų41.215%0.14723%0.234CC..THydrogen-bonded Turntrans-69.1-5.5179.366.60000114A280 M281 A282 P378 A379A280-S284 PolarHBondContact O-N 2.96Å; M281-S284 WeakPolarHBondContact O-CB 3.49Å; M281-S284 PolarHBondContact O-N 3.39Å; M281-S284 PolarHBondContact O-OG 3.32Å; A282-S284 VanDerWaalsContact C-N 3.3Å; A282-S284 PolarHBondContact O-N 3.35Å; S284-P378 WeakPolarHBondContact O-CG 3.48Å; S284-P378 WeakPolarHBondContact OG-CD 3.41Å; S284-A379 WeakPolarHBondContact OG-CB 3.42Å; S284-A379 PolarHBondContact OG-N 3.3Å
285G90.9Very high94.1Very high26 Ų2643.6 Ų43.627%0.26826%0.259SS..SBendtrans-157.3-142.8179.200000111.3N283 N375N283-G285 PolarHBondContact O-N 3.29Å; N283-G285 VanDerWaalsContact O-N 3.11Å; G285-N375 WeakPolarHBondContact CA-O 3.34Å
286D91Very high94.2Very high83 Ų8345.8 Ų45.844%0.44427%0.272SS..  trans-74.2140.8-175.2-56.1-43.2000111.6N375 L376D286-N375 PolarHBondContact N-O 3.48Å; D286-N375 PolarHBondContact OD2-N 2.88Å; D286-L376 HydrophobicContact CB-CD2 4.07Å; D286-L376 VanDerWaalsContact O-CD2 3.22Å; D286-L376 WeakPolarHBondContact O-CD2 3.09Å
287I91.2Very high94.3Very high78 Ų7844.5 Ų44.540%0.427%0.266SS..  trans-110.1120.4166.2-59-65.6000107.2A282 D289 A409A282-I287 HydrophobicContact CB-CD1 4.38Å; A282-I287 VanDerWaalsContact O-CD1 3.23Å; A282-I287 WeakPolarHBondContact O-CD1 3.43Å; I287-D289 PolarHBondContact O-N 3.38Å; I287-A409 HydrophobicContact CD1-CB 3.95Å
288I89.9Confident94.2Very high21 Ų2144.3 Ų44.311%0.10827%0.265CS..  trans-78.5124.1-178.5-62.3173.5000109.5L290 M328 L376 A409 G411I288-L290 HydrophobicContact CG2-CD2 3.54Å; I288-L290 HydrophobicContact CG2-CG 4.02Å; I288-L290 PolarHBondContact O-N 3.47Å; I288-M328 HydrophobicContact CD1-CE 3.38Å; I288-M328 HydrophobicContact CD1-SD 3.3Å; I288-M328 WeakPolarHBondContact CD1-SD 3.28Å; I288-M328 HydrophobicContact CG2-CE 4.07Å; I288-L376 HydrophobicContact CD1-CD1 3.76Å; I288-L376 HydrophobicContact CD1-CD2 3.69Å; I288-L376 HydrophobicContact CD1-CG 4.26Å; I288-L376 HydrophobicContact CG1-CD2 3.71Å; I288-A409 PolarHBondContact N-O 3.46Å; I288-G411 WeakPolarHBondContact O-CA 3.43Å
289D91Very high94.1Very high115 Ų11544.3 Ų44.362%0.61527%0.265SS*.  trans-87.6106.5172.5-177.513000110.3I287 S291I287-D289 PolarHBondContact O-N 3.38Å; D289-S291 VanDerWaalsContact CG-OG 3.24Å; D289-S291 WeakPolarHBondContact OD1-CB 3.41Å; D289-S291 PolarHBondContact OD1-N 3.45Å; D289-S291 PolarHBondContact OD1-OG 3.17Å; D289-S291 PolarHBondContact OD2-OG 3.46Å
290L92.3Very high94.1Very high5 Ų542 Ų423%0.02625%0.253CS..  trans-96.510.8175.1-60.6-174.4000113I288 S292 I293 K297 A326 F358 A410I288-L290 HydrophobicContact CG2-CD2 3.54Å; I288-L290 HydrophobicContact CG2-CG 4.02Å; I288-L290 PolarHBondContact O-N 3.47Å; L290-S292 PolarHBondContact O-N 3.45Å; L290-I293 HydrophobicContact CB-CD1 4.22Å; L290-I293 HydrophobicContact CD2-CD1 3.95Å; L290-I293 HydrophobicContact CG-CD1 4.47Å; L290-I293 WeakPolarHBondContact O-CB 3.41Å; L290-I293 PolarHBondContact O-N 2.9Å; L290-K297 HydrophobicContact CB-CD 3.59Å; L290-K297 HydrophobicContact CD1-CD 4.16Å; L290-K297 WeakPolarHBondContact O-CE 3.49Å; L290-A326 HydrophobicContact CD1-CB 3.97Å; L290-F358 HydrophobicContact CD2-CD1 4.16Å; L290-F358 HydrophobicContact CD2-CE1 3.7Å; L290-A410 VanDerWaalsContact CD1-O 3.3Å; L290-A410 WeakPolarHBondContact CD1-O 3.45Å
291S93Very high93.9Very high90 Ų9043.8 Ų43.863%0.62926%0.26SS*.THydrogen-bonded Turntrans-58.4-22.4-175.4640000114.4D289 I293D289-S291 VanDerWaalsContact CG-OG 3.24Å; D289-S291 WeakPolarHBondContact OD1-CB 3.41Å; D289-S291 PolarHBondContact OD1-N 3.45Å; D289-S291 PolarHBondContact OD1-OG 3.17Å; D289-S291 PolarHBondContact OD2-OG 3.46Å; S291-I293 VanDerWaalsContact C-N 3.27Å; S291-I293 PolarHBondContact O-N 3.49Å
292S94.5Very high93.6Very high65 Ų6544.4 Ų44.446%0.45527%0.265SS..THydrogen-bonded Turntrans-74.4-10.8174.555.70000114.3L290 V359 N363L290-S292 PolarHBondContact O-N 3.45Å; S292-V359 VanDerWaalsContact OG-CG1 3.28Å; S292-V359 WeakPolarHBondContact OG-CG1 3.41Å; S292-V359 WeakPolarHBondContact OG-CG2 3.12Å; S292-N363 PolarHBondContact O-ND2 3.38Å
293I95.4Very high93.1Very high4 Ų445 Ų452%0.02127%0.269CS..SBendtrans-86.9123.3173.5-60.2172.9000109.7L290 S291 K297 P324 A326 F358 V359 V362 N363L290-I293 HydrophobicContact CB-CD1 4.22Å; L290-I293 HydrophobicContact CD2-CD1 3.95Å; L290-I293 HydrophobicContact CG-CD1 4.47Å; L290-I293 WeakPolarHBondContact O-CB 3.41Å; L290-I293 PolarHBondContact O-N 2.9Å; S291-I293 VanDerWaalsContact C-N 3.27Å; S291-I293 PolarHBondContact O-N 3.49Å; I293-K297 HydrophobicContact CB-CD 4.41Å; I293-K297 HydrophobicContact CB-CG 4.12Å; I293-K297 HydrophobicContact CG2-CG 3.89Å; I293-K297 WeakPolarHBondContact O-CE 3.49Å; I293-K297 PolarHBondContact O-NZ 3Å; I293-P324 HydrophobicContact CG2-CB 4.12Å; I293-A326 HydrophobicContact CD1-CB 4.14Å; I293-F358 HydrophobicContact CD1-CE1 4.19Å; I293-V359 HydrophobicContact CD1-CG2 4.33Å; I293-V359 HydrophobicContact CG1-CB 4.29Å; I293-V359 HydrophobicContact CG1-CG1 4.09Å; I293-V359 HydrophobicContact CG1-CG2 4.08Å; I293-V362 HydrophobicContact CD1-CB 3.91Å; I293-V362 HydrophobicContact CD1-CG1 4.01Å; I293-V362 HydrophobicContact CD1-CG2 4.24Å; I293-V362 HydrophobicContact CG1-CB 4.37Å; I293-V362 HydrophobicContact CG1-CG1 4.48Å; I293-V362 HydrophobicContact CG2-CB 4.26Å; I293-V362 HydrophobicContact CG2-CG1 3.57Å; I293-N363 WeakPolarHBondContact CA-OD1 3.37Å
294E92.7Very high92.4Very high136 Ų13640.7 Ų40.764%0.63625%0.249SC*.SBendtrans-68.5131.8179-63.8179.3172.100112.3N363 K366E294-N363 PolarHBondContact N-OD1 3.47Å; E294-K366 IonicContact OE2-NZ 3.89Å
295G94.9Very high91.9Very high52 Ų5239.8 Ų39.854%0.53624%0.243SC..SBendtrans92.1-178178.200000113.5K297G295-K297 PolarHBondContact O-NZ 3.09Å
296V97.2Very high91.7Very high54 Ų5438.6 Ų38.633%0.32723%0.231SC..  trans-85.3111.2-179.2179.40000109.1V298 P324 D413 A414 A502V296-V298 PolarHBondContact O-N 3.45Å; V296-P324 VanDerWaalsContact O-CG 3.3Å; V296-P324 WeakPolarHBondContact O-CG 3.19Å; V296-D413 WeakPolarHBondContact CA-OD2 3.38Å; V296-D413 HydrophobicContact CG1-CB 3.72Å; V296-A414 HydrophobicContact CG1-CB 4.22Å; V296-A502 HydrophobicContact CB-CB 4.39Å
297K96.9Very high91.5Very high13 Ų1334.7 Ų34.76%0.05721%0.21CC..  trans-78.1127.2-176.7-42.2115.8-158.566.60110.2L290 I293 G295 P324 A326 D413 A414L290-K297 HydrophobicContact CB-CD 3.59Å; L290-K297 HydrophobicContact CD1-CD 4.16Å; L290-K297 WeakPolarHBondContact O-CE 3.49Å; I293-K297 HydrophobicContact CB-CD 4.41Å; I293-K297 HydrophobicContact CB-CG 4.12Å; I293-K297 HydrophobicContact CG2-CG 3.89Å; I293-K297 WeakPolarHBondContact O-CE 3.49Å; I293-K297 PolarHBondContact O-NZ 3Å; G295-K297 PolarHBondContact O-NZ 3.09Å; K297-P324 WeakPolarHBondContact CA-O 3.08Å; K297-A326 HydrophobicContact CB-CB 4.1Å; K297-A326 HydrophobicContact CG-CB 4.43Å; K297-D413 VanDerWaalsContact CD-OD2 3.26Å; K297-D413 WeakPolarHBondContact CD-OD2 3.28Å; K297-D413 WeakPolarHBondContact CE-OD2 3.29Å; K297-D413 PolarHBondContact N-OD2 3.32Å; K297-D413 IonicContact NZ-OD2 3.36Å; K297-D413 PolarHBondContact NZ-OD2 3.07Å; K297-D413 PolarHBondContact O-N 3.25Å; K297-A414 PolarHBondContact O-N 3.17Å
298V97.3Very high91.2Very high1 Ų131.7 Ų31.71%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-106.8141.5178.3-63.80000110.6V296 V318 V323 P324 V325 A326 A414 M498 A502V296-V298 PolarHBondContact O-N 3.45Å; V298-V318 HydrophobicContact CG2-CG1 4.17Å; V298-V323 HydrophobicContact CB-CG1 4.41Å; V298-V323 HydrophobicContact CG1-CG1 3.97Å; V298-V323 HydrophobicContact CG2-CG1 3.47Å; V298-V323 VanDerWaalsContact CG2-CG1 3.47Å; V298-P324 WeakPolarHBondContact CG2-O 3.13Å; V298-P324 PolarHBondContact N-O 2.82Å; V298-V325 HydrophobicContact CG2-CB 4.47Å; V298-V325 HydrophobicContact CG2-CG2 3.88Å; V298-A326 PolarHBondContact O-N 3.3Å; V298-A414 WeakPolarHBondContact CA-O 3.29Å; V298-A414 HydrophobicContact CG1-CB 3.95Å; V298-M498 HydrophobicContact CB-CB 4.38Å; V298-M498 HydrophobicContact CB-CE 3.84Å; V298-M498 HydrophobicContact CG1-CB 4.44Å; V298-M498 HydrophobicContact CG2-CB 4.37Å; V298-M498 HydrophobicContact CG2-CE 3.39Å; V298-A502 HydrophobicContact CG1-CB 3.92Å
299D95.6Very high91.4Very high1 Ų130.7 Ų30.71%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-130.2152.1168.1-168.87.6000110K327 K407 A412 A414 I415 V416D299-K327 WeakPolarHBondContact OD1-CD 3.23Å; D299-K327 WeakPolarHBondContact OD1-CG 3.41Å; D299-K327 IonicContact OD1-NZ 3.69Å; D299-K327 PolarHBondContact OD1-NZ 3.32Å; D299-K407 VanDerWaalsContact OD2-CD 3.32Å; D299-K407 WeakPolarHBondContact OD2-CD 3.26Å; D299-K407 IonicContact OD2-NZ 2.77Å; D299-K407 PolarHBondContact OD2-NZ 3.38Å; D299-A412 HydrophobicContact CB-CB 3.87Å; D299-A414 PolarHBondContact N-O 3.42Å; D299-I415 WeakPolarHBondContact O-CA 3.26Å; D299-V416 PolarHBondContact O-N 2.93Å
300K94.9Very high91.7Very high5 Ų525.2 Ų25.22%0.02216%0.16CC..EExtended strand (participates in β ladder)trans-112.2135172-178.9-105.8175.1163.40109.7D308 L314 K327 V416 D418 M498K300-D308 IonicContact NZ-OD1 2.69Å; K300-D308 IonicContact NZ-OD2 3.89Å; K300-D308 PolarHBondContact NZ-OD2 2.76Å; K300-L314 HydrophobicContact CB-CD2 4.15Å; K300-L314 HydrophobicContact CD-CD2 4.41Å; K300-L314 HydrophobicContact CG-CD2 4.02Å; K300-K327 WeakPolarHBondContact O-CE 3.4Å; K300-K327 PolarHBondContact O-NZ 2.96Å; K300-V416 CarbonylContact C-O 3.57Å; K300-V416 VanDerWaalsContact CA-O 3.22Å; K300-V416 WeakPolarHBondContact CA-O 3.36Å; K300-D418 WeakPolarHBondContact CE-OD2 3.08Å; K300-D418 IonicContact NZ-OD2 3.68Å; K300-D418 PolarHBondContact NZ-OD2 3.06Å; K300-M498 HydrophobicContact CB-SD 4.34Å
301H92.8Very high91.8Very high42 Ų4225.2 Ų25.219%0.19416%0.161CC..EExtended strand (participates in β ladder)trans-120.9143.2166-15874.4000110.5I403 K407 V416 L417 D418H301-I403 HydrophobicContact CB-CG2 4.45Å; H301-I403 WeakPolarHBondContact CD2-CG2 3.38Å; H301-K407 HydrophobicContact CB-CD 4.15Å; H301-K407 HydrophobicContact CB-CG 4.25Å; H301-V416 PolarHBondContact N-O 2.88Å; H301-L417 HydrophobicContact CB-CD2 3.93Å; H301-L417 CarbonylContact O-C 3.54Å; H301-L417 WeakPolarHBondContact O-CA 3.33Å; H301-D418 PolarHBondContact O-N 3.17Å
302S90.8Very high92Very high18 Ų1821 Ų2113%0.12613%0.131CC..EExtended strand (participates in β ladder)trans-110.1145.5167.9-172.80000109.3G304 D418S302-G304 PolarHBondContact O-N 2.87Å; S302-G304 PolarHBondContact OG-N 3.34Å; S302-G304 VanDerWaalsContact OG-N 3.17Å; S302-D418 CarbonylContact C-O 3.56Å; S302-D418 VanDerWaalsContact CA-O 3.29Å; S302-D418 WeakPolarHBondContact CA-O 3.28Å; S302-D418 WeakPolarHBondContact CB-OD2 3.39Å; S302-D418 PolarHBondContact OG-OD2 3.24Å
303T85.8Confident92.2Very high11 Ų1117.9 Ų17.97%0.06711%0.109CC..SBendtrans-69-5.7167.449.10000112.7I403 D418 V419 T420 F426 L436 M440T303-I403 HydrophobicContact CG2-CD1 3.83Å; T303-D418 PolarHBondContact N-O 3.4Å; T303-D418 PolarHBondContact OG1-O 3.41Å; T303-V419 HydrophobicContact CG2-CG1 4.35Å; T303-T420 PolarHBondContact OG1-N 3.22Å; T303-T420 PolarHBondContact OG1-OG1 2.91Å; T303-F426 WeakPolarHBondContact O-CD2 3.41Å; T303-F426 WeakPolarHBondContact O-CE2 3.36Å; T303-L436 HydrophobicContact CG2-CD2 3.99Å; T303-M440 HydrophobicContact CG2-CE 4.35Å
304G79.1Confident92.3Very high14 Ų1417.8 Ų17.814%0.14411%0.109CC..  trans114.3151.2176.300000112.1S302 T420S302-G304 PolarHBondContact O-N 2.87Å; S302-G304 PolarHBondContact OG-N 3.34Å; S302-G304 VanDerWaalsContact OG-N 3.17Å; G304-T420 WeakPolarHBondContact O-CB 3.29Å; G304-T420 VanDerWaalsContact O-CG2 3.31Å; G304-T420 WeakPolarHBondContact O-CG2 3.38Å; G304-T420 PolarHBondContact O-OG1 3.09Å
305G81.9Confident92.6Very high2 Ų211.5 Ų11.52%0.0218%0.08CC..  trans-174.1175.2-178.300000112.3T336 M458G305-T336 CarbonylContact O-C 3.58Å; G305-T336 VanDerWaalsContact O-CA 3.25Å; G305-T336 WeakPolarHBondContact O-CA 3.39Å; G305-T336 VanDerWaalsContact O-CB 3.29Å; G305-T336 WeakPolarHBondContact O-CB 3.44Å; G305-T336 VanDerWaalsContact O-O 3.06Å; G305-M458 VanDerWaalsContact CA-SD 3.51Å
306V88.4Confident92.8Very high1 Ų19 Ų91%0.0065%0.054CC..SBendtrans-108.8132.2179.6179.90000108.9D308 F335 M458 P461 L462 I466 A570V306-D308 VanDerWaalsContact C-N 3.3Å; V306-F335 HydrophobicContact CG2-CD2 3.54Å; V306-F335 HydrophobicContact CG2-CE2 3.87Å; V306-M458 PolarHBondContact N-SD 2.89Å; V306-P461 HydrophobicContact CB-CB 4.44Å; V306-P461 HydrophobicContact CG1-CB 4.11Å; V306-P461 HydrophobicContact CG1-CG 4.14Å; V306-P461 CarbonylContact O-C 3.56Å; V306-P461 WeakPolarHBondContact O-CA 3.48Å; V306-L462 PolarHBondContact O-N 3.31Å; V306-I466 HydrophobicContact CG1-CG1 3.81Å; V306-I466 HydrophobicContact CG1-CG2 3.84Å; V306-A570 HydrophobicContact CB-CB 4.37Å; V306-A570 WeakPolarHBondContact CG2-O 3.47Å
307G86.3Confident92.8Very high1 Ų16.5 Ų6.51%0.014%0.039CC..SBendtrans69.125.3-172.200000113.5T309 L462 A465G307-T309 PolarHBondContact O-N 2.95Å; G307-T309 PolarHBondContact O-OG1 3.17Å; G307-L462 CarbonylContact C-O 3.58Å; G307-A465 WeakPolarHBondContact CA-O 3.16Å
308D85.4Confident92.9Very high14 Ų145.9 Ų5.98%0.0754%0.036CC..  trans-72.670.1179.4-173.315.4000112.1K300 V306 T310 K342K300-D308 IonicContact NZ-OD1 2.69Å; K300-D308 IonicContact NZ-OD2 3.89Å; K300-D308 PolarHBondContact NZ-OD2 2.76Å; V306-D308 VanDerWaalsContact C-N 3.3Å; D308-T310 PolarHBondContact O-N 3.06Å; D308-T310 WeakPolarHBondContact OD1-CB 3.4Å; D308-T310 PolarHBondContact OD1-N 3.07Å; D308-T310 PolarHBondContact OD1-OG1 3.03Å; D308-K342 VanDerWaalsContact C-NZ 3.35Å; D308-K342 PolarHBondContact O-NZ 2.76Å
309T93.8Very high93Very high0 Ų05.8 Ų5.80%04%0.036CC..THydrogen-bonded Turntrans-69-10.6173.3-54.90000111.7G307 T311 L312 V313 E471 E474 A475 L487G307-T309 PolarHBondContact O-N 2.95Å; G307-T309 PolarHBondContact O-OG1 3.17Å; T309-T311 VanDerWaalsContact C-N 3.31Å; T309-T311 PolarHBondContact O-N 3.35Å; T309-T311 VanDerWaalsContact O-N 3.08Å; T309-L312 HydrophobicContact CG2-CB 4.41Å; T309-L312 HydrophobicContact CG2-CD2 4.11Å; T309-L312 WeakPolarHBondContact O-CB 3.22Å; T309-L312 PolarHBondContact O-N 3.29Å; T309-V313 HydrophobicContact CG2-CG2 4.33Å; T309-E471 HydrophobicContact CG2-CB 4.45Å; T309-E471 VanDerWaalsContact CG2-O 3.26Å; T309-E471 WeakPolarHBondContact CG2-O 3.44Å; T309-E471 WeakPolarHBondContact OG1-CG 3.37Å; T309-E474 WeakPolarHBondContact CB-OE2 3.35Å; T309-E474 HydrophobicContact CG2-CB 4.43Å; T309-E474 HydrophobicContact CG2-CG 4.4Å; T309-E474 PolarHBondContact OG1-OE2 2.81Å; T309-A475 HydrophobicContact CG2-CB 3.69Å; T309-L487 HydrophobicContact CG2-CD2 3.75Å
310T95.9Very high93.1Very high0 Ų06.7 Ų6.70%04%0.042CC..Hα-helixtrans-47-48.9-170.9-52.60000113.1D308 L312 V313 L314 L462 M490 L494D308-T310 PolarHBondContact O-N 3.06Å; D308-T310 WeakPolarHBondContact OD1-CB 3.4Å; D308-T310 PolarHBondContact OD1-N 3.07Å; D308-T310 PolarHBondContact OD1-OG1 3.03Å; T310-L312 VanDerWaalsContact C-N 3.25Å; T310-L312 PolarHBondContact O-N 2.95Å; T310-V313 PolarHBondContact O-N 3.15Å; T310-L314 HydrophobicContact CG2-CB 4.2Å; T310-L314 HydrophobicContact CG2-CD2 3.99Å; T310-L314 WeakPolarHBondContact O-CB 3.42Å; T310-L314 PolarHBondContact O-N 3.37Å; T310-L462 WeakPolarHBondContact OG1-CD2 3.37Å; T310-M490 HydrophobicContact CG2-CG 4.28Å; T310-L494 HydrophobicContact CG2-CD1 3.57Å
311T95.9Very high93.3Very high6 Ų67 Ų74%0.0374%0.044CC..Hα-helixtrans-62.1-34.1-175.2-62.20000112.7T309 V313 A315 K327 T339T309-T311 VanDerWaalsContact C-N 3.31Å; T309-T311 PolarHBondContact O-N 3.35Å; T309-T311 VanDerWaalsContact O-N 3.08Å; T311-V313 VanDerWaalsContact C-N 3.3Å; T311-V313 PolarHBondContact O-N 3.11Å; T311-A315 VanDerWaalsContact O-CB 3.26Å; T311-A315 WeakPolarHBondContact O-CB 3.07Å; T311-A315 PolarHBondContact O-N 3.49Å; T311-A315 VanDerWaalsContact O-N 3.11Å; T311-K327 HydrophobicContact CG2-CD 3.54Å; T311-T339 HydrophobicContact CG2-CG2 3.66Å
312L97.3Very high93.5Very high0 Ų09.9 Ų9.90%06%0.061CC..Hα-helixtrans-69-33.3-175.9-70.847.3000110.8T309 T310 P316 T339 K342 F343 E471 I472 A475T309-L312 HydrophobicContact CG2-CB 4.41Å; T309-L312 HydrophobicContact CG2-CD2 4.11Å; T309-L312 WeakPolarHBondContact O-CB 3.22Å; T309-L312 PolarHBondContact O-N 3.29Å; T310-L312 VanDerWaalsContact C-N 3.25Å; T310-L312 PolarHBondContact O-N 2.95Å; L312-P316 WeakPolarHBondContact O-CD 3.19Å; L312-P316 VanDerWaalsContact O-CG 3.23Å; L312-P316 WeakPolarHBondContact O-CG 3.19Å; L312-T339 HydrophobicContact CD1-CG2 4.23Å; L312-K342 HydrophobicContact CD1-CB 4.37Å; L312-K342 HydrophobicContact CD1-CD 3.92Å; L312-K342 HydrophobicContact CD2-CB 4.08Å; L312-K342 HydrophobicContact CD2-CD 4.1Å; L312-F343 HydrophobicContact CD1-CE2 4.17Å; L312-F343 HydrophobicContact CG-CE2 4.36Å; L312-F343 HydrophobicContact CG-CZ 4.31Å; L312-E471 HydrophobicContact CD2-CB 4.31Å; L312-I472 HydrophobicContact CD2-CD1 3.57Å; L312-I472 HydrophobicContact CD2-CG1 4.25Å; L312-I472 HydrophobicContact CG-CD1 3.99Å; L312-A475 HydrophobicContact CB-CB 3.54Å; L312-A475 HydrophobicContact CD2-CB 4.14Å; L312-A475 HydrophobicContact CG-CB 4.48Å
313V98.4Very high93.9Very high1 Ų19.1 Ų9.11%0.0066%0.056CC..Hα-helixtrans-87.4-47.6176.3179.90000111T309 T310 T311 A315 P316 L317 A475 T478 L479 L487 C491T309-V313 HydrophobicContact CG2-CG2 4.33Å; T310-V313 PolarHBondContact O-N 3.15Å; T311-V313 VanDerWaalsContact C-N 3.3Å; T311-V313 PolarHBondContact O-N 3.11Å; V313-A315 PolarHBondContact O-N 3.46Å; V313-P316 VanDerWaalsContact O-CD 3.3Å; V313-P316 WeakPolarHBondContact O-CD 3.35Å; V313-P316 VanDerWaalsContact O-CG 3.31Å; V313-P316 WeakPolarHBondContact O-CG 3.43Å; V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 PolarHBondContact O-N 2.94Å; V313-A475 HydrophobicContact CG2-CB 3.78Å; V313-T478 HydrophobicContact CB-CG2 4.49Å; V313-T478 HydrophobicContact CG1-CG2 3.76Å; V313-T478 HydrophobicContact CG2-CG2 3.95Å; V313-L479 HydrophobicContact CG1-CD2 4.05Å; V313-L479 HydrophobicContact CG1-CG 4.31Å; V313-L487 HydrophobicContact CG2-CD2 4.43Å; V313-C491 HydrophobicContact CG1-CB 4.18Å
314L98.1Very high94.5Very high2 Ų29 Ų91%0.016%0.055CC..Hα-helixtrans-65.3-42.1-170.9-177.764.2000112.7K300 T310 L317 V318 C491 L494 G495 M498K300-L314 HydrophobicContact CB-CD2 4.15Å; K300-L314 HydrophobicContact CD-CD2 4.41Å; K300-L314 HydrophobicContact CG-CD2 4.02Å; T310-L314 HydrophobicContact CG2-CB 4.2Å; T310-L314 HydrophobicContact CG2-CD2 3.99Å; T310-L314 WeakPolarHBondContact O-CB 3.42Å; T310-L314 PolarHBondContact O-N 3.37Å; L314-L317 PolarHBondContact O-N 3.44Å; L314-V318 HydrophobicContact CD1-CG2 3.78Å; L314-V318 HydrophobicContact CG-CG2 4.32Å; L314-V318 WeakPolarHBondContact O-CB 3.35Å; L314-V318 WeakPolarHBondContact O-CG2 3.41Å; L314-V318 PolarHBondContact O-N 3.3Å; L314-C491 WeakPolarHBondContact CD1-O 3.39Å; L314-L494 HydrophobicContact CD1-CB 4.34Å; L314-L494 HydrophobicContact CD2-CB 3.86Å; L314-L494 HydrophobicContact CD2-CD1 4.32Å; L314-G495 VanDerWaalsContact CD1-CA 3.42Å; L314-M498 HydrophobicContact CD1-SD 4.11Å; L314-M498 HydrophobicContact CD2-SD 3.65Å; L314-M498 HydrophobicContact CG-SD 3.83Å
315A98.1Very high95.4Very high3 Ų38.4 Ų8.43%0.0255%0.049CC..Hα-helixtrans-60.9-54.5-178.300000112.9T311 V313 L317 A319 V325 V367 V369T311-A315 VanDerWaalsContact O-CB 3.26Å; T311-A315 WeakPolarHBondContact O-CB 3.07Å; T311-A315 PolarHBondContact O-N 3.49Å; T311-A315 VanDerWaalsContact O-N 3.11Å; V313-A315 PolarHBondContact O-N 3.46Å; A315-L317 VanDerWaalsContact C-N 3.34Å; A315-A319 VanDerWaalsContact O-CB 3.27Å; A315-A319 WeakPolarHBondContact O-CB 3.28Å; A315-A319 PolarHBondContact O-N 2.86Å; A315-V325 HydrophobicContact CB-CG1 4Å; A315-V367 HydrophobicContact CB-CG2 3.88Å; A315-V369 HydrophobicContact CB-CG2 4.22Å
316P98.5Very high96Very high0 Ų08.5 Ų8.50%05%0.049CC..Hα-helixtrans-68.5-31.6175.228.3-36.8000112.9L312 V313 A319 S320 L479 K527 F528L312-P316 WeakPolarHBondContact O-CD 3.19Å; L312-P316 VanDerWaalsContact O-CG 3.23Å; L312-P316 WeakPolarHBondContact O-CG 3.19Å; V313-P316 VanDerWaalsContact O-CD 3.3Å; V313-P316 WeakPolarHBondContact O-CD 3.35Å; V313-P316 VanDerWaalsContact O-CG 3.31Å; V313-P316 WeakPolarHBondContact O-CG 3.43Å; P316-A319 PolarHBondContact O-N 3.29Å; P316-S320 VanDerWaalsContact O-CB 3.28Å; P316-S320 WeakPolarHBondContact O-CB 3.23Å; P316-S320 PolarHBondContact O-N 2.76Å; P316-L479 HydrophobicContact CG-CD1 4.09Å; P316-L479 HydrophobicContact CG-CD2 4.2Å; P316-K527 HydrophobicContact CB-CB 4.2Å; P316-K527 HydrophobicContact CB-CG 4.04Å; P316-K527 VanDerWaalsContact O-CG 3.3Å; P316-K527 WeakPolarHBondContact O-CG 3.27Å; P316-F528 HydrophobicContact CB-CB 3.79Å; P316-F528 HydrophobicContact CB-CD2 4.4Å; P316-F528 HydrophobicContact CG-CB 3.92Å; P316-F528 HydrophobicContact CG-CD2 3.9Å; P316-F528 HydrophobicContact CG-CG 4.33Å
317L98.8Very high96.3Very high1 Ų18.8 Ų8.81%0.0055%0.05CC..Hα-helixtrans-62.5-50.2177.2-179.861.6000111.5V313 L314 A315 S320 C491 L515 A518 L519 A524V313-L317 WeakPolarHBondContact O-CB 3.4Å; V313-L317 PolarHBondContact O-N 2.94Å; L314-L317 PolarHBondContact O-N 3.44Å; A315-L317 VanDerWaalsContact C-N 3.34Å; L317-S320 PolarHBondContact O-N 3.12Å; L317-S320 PolarHBondContact O-OG 3.27Å; L317-C491 HydrophobicContact CD2-CB 4.24Å; L317-L515 HydrophobicContact CD1-CB 4.41Å; L317-L515 HydrophobicContact CD1-CD2 4.31Å; L317-L515 HydrophobicContact CD2-CB 4.4Å; L317-L515 HydrophobicContact CD2-CD2 4.31Å; L317-L515 HydrophobicContact CG-CB 4.41Å; L317-L515 HydrophobicContact CG-CD2 3.78Å; L317-A518 HydrophobicContact CD1-CB 4.17Å; L317-L519 HydrophobicContact CD1-CB 4.17Å; L317-L519 HydrophobicContact CD1-CD1 4.17Å; L317-A524 HydrophobicContact CB-CB 4.35Å; L317-A524 HydrophobicContact CD1-CB 3.66Å
318V98.7Very high96.5Very high0 Ų08.9 Ų8.90%05%0.051CC..Hα-helixtrans-67.4-39.2177.5172.50000111.4V298 L314 S320 V321 V323 V325 M498 V499 L515V298-V318 HydrophobicContact CG2-CG1 4.17Å; L314-V318 HydrophobicContact CD1-CG2 3.78Å; L314-V318 HydrophobicContact CG-CG2 4.32Å; L314-V318 WeakPolarHBondContact O-CB 3.35Å; L314-V318 WeakPolarHBondContact O-CG2 3.41Å; L314-V318 PolarHBondContact O-N 3.3Å; V318-S320 VanDerWaalsContact C-N 3.26Å; V318-S320 PolarHBondContact O-N 3.19Å; V318-V321 WeakPolarHBondContact O-CG2 3.23Å; V318-V321 PolarHBondContact O-N 2.7Å; V318-V323 HydrophobicContact CG1-CB 3.61Å; V318-V323 HydrophobicContact CG1-CG1 3.53Å; V318-V323 HydrophobicContact CG1-CG2 4.44Å; V318-V325 HydrophobicContact CB-CG2 3.92Å; V318-V325 HydrophobicContact CG1-CG2 3.75Å; V318-M498 HydrophobicContact CB-CE 4.47Å; V318-M498 HydrophobicContact CG1-CB 4.15Å; V318-M498 HydrophobicContact CG1-CE 4.21Å; V318-M498 HydrophobicContact CG2-CB 4.21Å; V318-M498 HydrophobicContact CG2-CE 4.35Å; V318-M498 HydrophobicContact CG2-SD 4.02Å; V318-V499 HydrophobicContact CG1-CG2 4.3Å; V318-L515 HydrophobicContact CG2-CD2 4.22Å
319A98.6Very high96.6Very high0 Ų08.7 Ų8.70%05%0.05CC..Hα-helixtrans-67-26176.300000113.9A315 P316 V321 D322 V323 V325 K366 V367 K527A315-A319 VanDerWaalsContact O-CB 3.27Å; A315-A319 WeakPolarHBondContact O-CB 3.28Å; A315-A319 PolarHBondContact O-N 2.86Å; P316-A319 PolarHBondContact O-N 3.29Å; A319-V321 PolarHBondContact O-N 3.48Å; A319-D322 PolarHBondContact O-N 3Å; A319-D322 VanDerWaalsContact O-N 3.09Å; A319-V323 WeakPolarHBondContact CA-O 3.27Å; A319-V325 HydrophobicContact CB-CG2 4.29Å; A319-K366 HydrophobicContact CB-CB 4.08Å; A319-K366 WeakPolarHBondContact CB-O 3.1Å; A319-V367 HydrophobicContact CB-CB 3.6Å; A319-V367 HydrophobicContact CB-CG1 3.96Å; A319-V367 HydrophobicContact CB-CG2 4.47Å; A319-K527 HydrophobicContact CB-CD 4.15Å; A319-K527 HydrophobicContact CB-CG 3.96Å
320S98.5Very high95.9Very high19 Ų1910.5 Ų10.513%0.1337%0.069CC..THydrogen-bonded Turntrans-69.7-13.4177.175.70000113.7P316 L317 V318 A518P316-S320 VanDerWaalsContact O-CB 3.28Å; P316-S320 WeakPolarHBondContact O-CB 3.23Å; P316-S320 PolarHBondContact O-N 2.76Å; L317-S320 PolarHBondContact O-N 3.12Å; L317-S320 PolarHBondContact O-OG 3.27Å; V318-S320 VanDerWaalsContact C-N 3.26Å; V318-S320 PolarHBondContact O-N 3.19Å; S320-A518 VanDerWaalsContact OG-CB 3.3Å; S320-A518 WeakPolarHBondContact OG-CB 3.38Å
321V98.3Very high95.1Very high12 Ų1216.1 Ų16.17%0.0739%0.09CC..THydrogen-bonded Turntrans-102.822.9171.2-59.60000112.8V318 A319 V323 V499 K504 M514 L515 A518V318-V321 WeakPolarHBondContact O-CG2 3.23Å; V318-V321 PolarHBondContact O-N 2.7Å; A319-V321 PolarHBondContact O-N 3.48Å; V321-V323 HydrophobicContact CG2-CG2 4.23Å; V321-V323 PolarHBondContact O-N 3.45Å; V321-V499 HydrophobicContact CG2-CG2 3.78Å; V321-K504 WeakPolarHBondContact O-CE 3.35Å; V321-K504 PolarHBondContact O-NZ 2.87Å; V321-K504 VanDerWaalsContact O-NZ 3.11Å; V321-M514 HydrophobicContact CB-CE 3.97Å; V321-M514 HydrophobicContact CG1-CB 4.12Å; V321-M514 HydrophobicContact CG1-CE 4.32Å; V321-L515 HydrophobicContact CG2-CD2 4.27Å; V321-A518 HydrophobicContact CG1-CB 4Å
322D97.7Very high93.9Very high103 Ų10316.4 Ų16.455%0.5519%0.094SC*.THydrogen-bonded Turntrans66.424.1178.6-44.6-60.2000115.9A319 K504A319-D322 PolarHBondContact O-N 3Å; A319-D322 VanDerWaalsContact O-N 3.09Å; D322-K504 IonicContact OD2-NZ 2.79Å; D322-K504 PolarHBondContact OD2-NZ 3.34Å
323V98.4Very high92.3Very high2 Ų219.3 Ų19.31%0.01211%0.11CC..  trans-94.5122.4175171.70000109.5V298 V318 A319 V321 V325 V499 A502 K504V298-V323 HydrophobicContact CB-CG1 4.41Å; V298-V323 HydrophobicContact CG1-CG1 3.97Å; V298-V323 HydrophobicContact CG2-CG1 3.47Å; V298-V323 VanDerWaalsContact CG2-CG1 3.47Å; V318-V323 HydrophobicContact CG1-CB 3.61Å; V318-V323 HydrophobicContact CG1-CG1 3.53Å; V318-V323 HydrophobicContact CG1-CG2 4.44Å; A319-V323 WeakPolarHBondContact CA-O 3.27Å; V321-V323 HydrophobicContact CG2-CG2 4.23Å; V321-V323 PolarHBondContact O-N 3.45Å; V323-V325 PolarHBondContact O-N 2.53Å; V323-V499 HydrophobicContact CG2-CG2 4.4Å; V323-A502 HydrophobicContact CB-CB 4.25Å; V323-A502 HydrophobicContact CG1-CB 3.44Å; V323-A502 VanDerWaalsContact CG1-CB 3.44Å; V323-A502 HydrophobicContact CG2-CB 3.8Å; V323-K504 HydrophobicContact CG2-CB 3.63Å; V323-K504 HydrophobicContact CG2-CG 3.92Å
324P98.1Very high91.1Very high7 Ų720.4 Ų20.45%0.04512%0.121CC..  trans-72111.8-177.327.1-31.3000111.8I293 V296 K297 V298 V362 K366I293-P324 HydrophobicContact CG2-CB 4.12Å; V296-P324 VanDerWaalsContact O-CG 3.3Å; V296-P324 WeakPolarHBondContact O-CG 3.19Å; K297-P324 WeakPolarHBondContact CA-O 3.08Å; V298-P324 WeakPolarHBondContact CG2-O 3.13Å; V298-P324 PolarHBondContact N-O 2.82Å; P324-V362 HydrophobicContact CB-CG1 3.95Å; P324-K366 CarbonylContact C-O 3.43Å; P324-K366 WeakPolarHBondContact CA-O 3.19Å; P324-K366 HydrophobicContact CB-CD 4.38Å
325V98.1Very high90Very high3 Ų323.2 Ų23.22%0.01813%0.133CC..EExtended strand (participates in β ladder)trans-9697.9174.4-174.10000109.2V298 A315 V318 A319 V323 K327 K366 V367 A368 M498V298-V325 HydrophobicContact CG2-CB 4.47Å; V298-V325 HydrophobicContact CG2-CG2 3.88Å; A315-V325 HydrophobicContact CB-CG1 4Å; V318-V325 HydrophobicContact CB-CG2 3.92Å; V318-V325 HydrophobicContact CG1-CG2 3.75Å; A319-V325 HydrophobicContact CB-CG2 4.29Å; V323-V325 PolarHBondContact O-N 2.53Å; V325-K327 HydrophobicContact CG1-CB 4.41Å; V325-K366 PolarHBondContact N-O 3.44Å; V325-V367 HydrophobicContact CB-CB 4.5Å; V325-V367 HydrophobicContact CB-CG2 4.27Å; V325-V367 WeakPolarHBondContact O-CA 3.48Å; V325-A368 PolarHBondContact O-N 3.07Å; V325-A368 VanDerWaalsContact O-N 3.12Å; V325-M498 HydrophobicContact CG1-CE 4.33Å; V325-M498 HydrophobicContact CG2-CE 4.2Å
326A95.1Very high88.6Confident3 Ų324.5 Ų24.53%0.02514%0.141CC..EExtended strand (participates in β ladder)trans-103.488.9178.900000109L290 I293 K297 V298 F358 V362L290-A326 HydrophobicContact CD1-CB 3.97Å; I293-A326 HydrophobicContact CD1-CB 4.14Å; K297-A326 HydrophobicContact CB-CB 4.1Å; K297-A326 HydrophobicContact CG-CB 4.43Å; V298-A326 PolarHBondContact O-N 3.3Å; A326-F358 HydrophobicContact CB-CE1 4.07Å; A326-F358 HydrophobicContact CB-CZ 3.71Å; A326-V362 HydrophobicContact CB-CG1 4.34Å; A326-V362 HydrophobicContact CB-CG2 4.31Å
327K93.8Very high87.3Confident7 Ų725.6 Ų25.63%0.0315%0.152CC..EExtended strand (participates in β ladder)trans-106.5127.4-169.3178.3156.7-16747.90113D299 K300 T311 V325 S329 A368 V369 I370D299-K327 WeakPolarHBondContact OD1-CD 3.23Å; D299-K327 WeakPolarHBondContact OD1-CG 3.41Å; D299-K327 IonicContact OD1-NZ 3.69Å; D299-K327 PolarHBondContact OD1-NZ 3.32Å; K300-K327 WeakPolarHBondContact O-CE 3.4Å; K300-K327 PolarHBondContact O-NZ 2.96Å; T311-K327 HydrophobicContact CG2-CD 3.54Å; V325-K327 HydrophobicContact CG1-CB 4.41Å; K327-S329 VanDerWaalsContact CE-OG 3.24Å; K327-S329 WeakPolarHBondContact CE-OG 3.31Å; K327-S329 PolarHBondContact NZ-OG 3.26Å; K327-A368 PolarHBondContact N-O 3.22Å; K327-V369 HydrophobicContact CB-CG2 4.06Å; K327-V369 HydrophobicContact CD-CG1 4.5Å; K327-V369 HydrophobicContact CD-CG2 4.35Å; K327-V369 HydrophobicContact CG-CG1 4.24Å; K327-V369 HydrophobicContact CG-CG2 4.37Å; K327-V369 WeakPolarHBondContact O-CA 3.3Å; K327-I370 PolarHBondContact O-N 2.95Å
328M90.5Very high86.7Confident4 Ų425.7 Ų25.72%0.0215%0.153CC..EExtended strand (participates in β ladder)trans-112.5123.5167-68.2163.1-169.700110.5I288 F358 I370 Q372 L376 K407 A410I288-M328 HydrophobicContact CD1-CE 3.38Å; I288-M328 HydrophobicContact CD1-SD 3.3Å; I288-M328 WeakPolarHBondContact CD1-SD 3.28Å; I288-M328 HydrophobicContact CG2-CE 4.07Å; M328-F358 HydrophobicContact CE-CD1 4.18Å; M328-F358 HydrophobicContact CE-CE1 3.7Å; M328-F358 HydrophobicContact CE-CZ 4.02Å; M328-I370 WeakPolarHBondContact CA-O 3.28Å; M328-I370 HydrophobicContact CE-CD1 4.1Å; M328-I370 HydrophobicContact CG-CD1 4.15Å; M328-I370 HydrophobicContact CG-CG1 3.87Å; M328-Q372 HydrophobicContact CB-CG 4.23Å; M328-L376 HydrophobicContact SD-CD1 4.34Å; M328-K407 PolarHBondContact O-NZ 2.96Å; M328-A410 HydrophobicContact CB-CB 4.4Å; M328-A410 HydrophobicContact SD-CB 3.82Å
329S88.8Confident86.4Confident10 Ų1026.8 Ų26.87%0.0716%0.16CC..EExtended strand (participates in β ladder)trans-119.6153.3-178.6-72.20000110.9K327 L340 I370 G371 Q372K327-S329 VanDerWaalsContact CE-OG 3.24Å; K327-S329 WeakPolarHBondContact CE-OG 3.31Å; K327-S329 PolarHBondContact NZ-OG 3.26Å; S329-L340 WeakPolarHBondContact O-CD1 3.44Å; S329-I370 PolarHBondContact N-O 3.4Å; S329-G371 WeakPolarHBondContact O-CA 3.31Å; S329-Q372 PolarHBondContact O-N 3.15Å
330G78.8Confident86.1Confident38 Ų3827 Ų2739%0.39216%0.161SC..PPolyproline II helixtrans-88.5170.3166.800000111.4
331R79.5Confident85.7Confident118 Ų11826.2 Ų26.245%0.44516%0.155SC..PPolyproline II helixtrans-71.4154.1164.7-70.2-176173.5-80.11110.6L340 D341 E344 R584R331-L340 HydrophobicContact CG-CD1 4.22Å; R331-D341 IonicContact NH1-OD1 2.73Å; R331-D341 PolarHBondContact NH1-OD1 2.89Å; R331-D341 VanDerWaalsContact NH1-OD1 3.12Å; R331-E344 IonicContact CZ-OE1 2.68Å; R331-E344 IonicContact CZ-OE2 3.71Å; R331-E344 IonicContact NH1-OE1 2.77Å; R331-E344 IonicContact NH1-OE2 3.3Å; R331-E344 PolarHBondContact NH1-OE2 3.28Å; R331-E344 IonicContact NH2-OE1 3.32Å; R331-E344 PolarHBondContact NH2-OE1 2.88Å; R331-E344 IonicContact NH2-OE2 3.15Å; R331-R584 VanDerWaalsContact NH1-NH2 3.14Å
332G70.2Confident85.6Confident12 Ų1225.8 Ų25.812%0.12415%0.152CC..PPolyproline II helixtrans-71.4149.8176.400000112.3G338 D341G332-G338 VanDerWaalsContact CA-CA 3.46Å; G332-G338 VanDerWaalsContact N-CA 3.32Å; G332-D341 PolarHBondContact N-OD2 2.71Å
333L64Low85.5Confident61 Ų6120.9 Ų20.932%0.31913%0.126SC..  trans-134.8129.6172.2-166.881.9000108.5Y384 K587L333-Y384 HydrophobicContact CD2-CE1 4.26Å; L333-K587 HydrophobicContact CD1-CG 3.66Å
334G72.7Confident85.3Confident23 Ų2323.4 Ų23.424%0.23714%0.138CC..BIsolated β-bridgetrans73.7-143.7-176.900000113R584G334-R584 WeakPolarHBondContact CA-O 3.46Å; G334-R584 PolarHBondContact N-O 2.72Å
335F75Confident85.1Confident61 Ų6123.5 Ų23.527%0.26814%0.139SC..THydrogen-bonded Turntrans-83.9-13.1-16665.4-93.8000115.4V306 G337 N571 I575V306-F335 HydrophobicContact CG2-CD2 3.54Å; V306-F335 HydrophobicContact CG2-CE2 3.87Å; F335-G337 PolarHBondContact O-N 3.49Å; F335-N571 WeakPolarHBondContact CD1-OD1 3.39Å; F335-N571 WeakPolarHBondContact CE1-OD1 3.3Å; F335-N571 WeakPolarHBondContact CE2-OD1 3.25Å; F335-N571 WeakPolarHBondContact CG-OD1 3.38Å; F335-N571 WeakPolarHBondContact CZ-OD1 3.22Å; F335-I575 HydrophobicContact CB-CG1 4.08Å
336T67.7Low85.1Confident31 Ų3123.4 Ų23.419%0.1914%0.138CC..THydrogen-bonded Turntrans-80.6-12.4-170.848.80000114.6G305G305-T336 CarbonylContact O-C 3.58Å; G305-T336 VanDerWaalsContact O-CA 3.25Å; G305-T336 WeakPolarHBondContact O-CA 3.39Å; G305-T336 VanDerWaalsContact O-CB 3.29Å; G305-T336 WeakPolarHBondContact O-CB 3.44Å; G305-T336 VanDerWaalsContact O-O 3.06Å
337G73.1Confident85.2Confident23 Ų2326.4 Ų26.424%0.23716%0.158CC..  trans65.7151.1-174.600000113.3F335F335-G337 PolarHBondContact O-N 3.49Å
338G85.5Confident85.3Confident3 Ų328.7 Ų28.73%0.03118%0.183CC..  trans-102.1138.5-179.600000112.7G332 L340 D341 K342G332-G338 VanDerWaalsContact CA-CA 3.46Å; G332-G338 VanDerWaalsContact N-CA 3.32Å; G338-L340 PolarHBondContact O-N 3.28Å; G338-D341 VanDerWaalsContact CA-OD2 3.31Å; G338-D341 WeakPolarHBondContact CA-OD2 3.5Å; G338-D341 PolarHBondContact N-OD2 3.48Å; G338-D341 PolarHBondContact O-N 2.99Å; G338-D341 VanDerWaalsContact O-N 3.14Å; G338-K342 WeakPolarHBondContact O-CG 3.28Å; G338-K342 PolarHBondContact O-N 2.84Å; G338-K342 VanDerWaalsContact O-N 3.08Å
339T91.6Very high85.6Confident23 Ų2329.1 Ų29.114%0.14119%0.185CC..Hα-helixtrans-55.2-41173.4-52.90000112T311 L312 K342 F343 V369T311-T339 HydrophobicContact CG2-CG2 3.66Å; L312-T339 HydrophobicContact CD1-CG2 4.23Å; T339-K342 WeakPolarHBondContact O-CB 3.37Å; T339-K342 PolarHBondContact O-N 3.25Å; T339-F343 HydrophobicContact CG2-CD2 4.04Å; T339-F343 HydrophobicContact CG2-CE2 3.91Å; T339-F343 VanDerWaalsContact O-CD2 3.3Å; T339-F343 WeakPolarHBondContact O-CD2 3.22Å; T339-F343 PolarHBondContact O-N 3.04Å; T339-V369 HydrophobicContact CG2-CG1 4.04Å
340L92Very high86Confident5 Ų534.2 Ų34.23%0.02621%0.205CC..Hα-helixtrans-67.5-40.4178.8-57.8-177.8000112.1S329 R331 G338 K342 F343 E344 I351 V369S329-L340 WeakPolarHBondContact O-CD1 3.44Å; R331-L340 HydrophobicContact CG-CD1 4.22Å; G338-L340 PolarHBondContact O-N 3.28Å; L340-K342 PolarHBondContact O-N 2.94Å; L340-F343 PolarHBondContact O-N 3.43Å; L340-F343 VanDerWaalsContact O-N 3.1Å; L340-E344 WeakPolarHBondContact O-CG 3.3Å; L340-E344 PolarHBondContact O-N 2.66Å; L340-I351 HydrophobicContact CB-CD1 4.22Å; L340-I351 HydrophobicContact CB-CG2 4.26Å; L340-I351 HydrophobicContact CD1-CD1 4.18Å; L340-I351 HydrophobicContact CD2-CB 4.24Å; L340-I351 HydrophobicContact CD2-CG2 4.14Å; L340-V369 HydrophobicContact CD2-CG1 4.44Å
341D91.9Very high86.7Confident2 Ų232.9 Ų32.91%0.01119%0.189CC..Hα-helixtrans-62.7-35.3179.6-54.4-54.3000110.5R331 G332 G338 E344 S345 R584 I591R331-D341 IonicContact NH1-OD1 2.73Å; R331-D341 PolarHBondContact NH1-OD1 2.89Å; R331-D341 VanDerWaalsContact NH1-OD1 3.12Å; G332-D341 PolarHBondContact N-OD2 2.71Å; G338-D341 VanDerWaalsContact CA-OD2 3.31Å; G338-D341 WeakPolarHBondContact CA-OD2 3.5Å; G338-D341 PolarHBondContact N-OD2 3.48Å; G338-D341 PolarHBondContact O-N 2.99Å; G338-D341 VanDerWaalsContact O-N 3.14Å; D341-E344 PolarHBondContact O-N 3.09Å; D341-S345 PolarHBondContact O-N 2.89Å; D341-R584 IonicContact OD1-CZ 2.64Å; D341-R584 VanDerWaalsContact OD1-CZ 3.23Å; D341-R584 IonicContact OD1-NH1 2.81Å; D341-R584 PolarHBondContact OD1-NH1 3.48Å; D341-R584 IonicContact OD1-NH2 2.77Å; D341-R584 PolarHBondContact OD1-NH2 3.49Å; D341-R584 IonicContact OD2-NH1 3.73Å; D341-R584 PolarHBondContact OD2-NH1 3.02Å; D341-I591 HydrophobicContact CB-CD1 3.7Å; D341-I591 VanDerWaalsContact CG-CD1 3.41Å
342K94.3Very high87.3Confident2 Ų234.9 Ų34.91%0.00920%0.204CC..Hα-helixtrans-62.7-48.8171.4-60165.7-160.8-161.30111.5D308 L312 G338 T339 L340 E344 S345 E471 I472D308-K342 VanDerWaalsContact C-NZ 3.35Å; D308-K342 PolarHBondContact O-NZ 2.76Å; L312-K342 HydrophobicContact CD1-CB 4.37Å; L312-K342 HydrophobicContact CD1-CD 3.92Å; L312-K342 HydrophobicContact CD2-CB 4.08Å; L312-K342 HydrophobicContact CD2-CD 4.1Å; G338-K342 WeakPolarHBondContact O-CG 3.28Å; G338-K342 PolarHBondContact O-N 2.84Å; G338-K342 VanDerWaalsContact O-N 3.08Å; T339-K342 WeakPolarHBondContact O-CB 3.37Å; T339-K342 PolarHBondContact O-N 3.25Å; L340-K342 PolarHBondContact O-N 2.94Å; K342-E344 PolarHBondContact O-N 3.21Å; K342-S345 WeakPolarHBondContact O-CB 3.46Å; K342-S345 PolarHBondContact O-N 3.25Å; K342-S345 PolarHBondContact O-OG 2.65Å; K342-E471 HydrophobicContact CD-CB 4.48Å; K342-E471 WeakPolarHBondContact CD-OE2 3.32Å; K342-E471 WeakPolarHBondContact CE-OE2 3.41Å; K342-E471 IonicContact NZ-OE2 2.76Å; K342-E471 PolarHBondContact NZ-OE2 3.33Å; K342-I472 HydrophobicContact CB-CD1 4.45Å; K342-I472 VanDerWaalsContact O-CG1 3.25Å; K342-I472 WeakPolarHBondContact O-CG1 3.46Å
343F95.5Very high88.3Confident0 Ų035.3 Ų35.30%020%0.203CC..Hα-helixtrans-66.2-34178.4-83.3-69.4000113.3L312 T339 L340 S345 I346 F349 I351 V369 F528 M531L312-F343 HydrophobicContact CD1-CE2 4.17Å; L312-F343 HydrophobicContact CG-CE2 4.36Å; L312-F343 HydrophobicContact CG-CZ 4.31Å; T339-F343 HydrophobicContact CG2-CD2 4.04Å; T339-F343 HydrophobicContact CG2-CE2 3.91Å; T339-F343 VanDerWaalsContact O-CD2 3.3Å; T339-F343 WeakPolarHBondContact O-CD2 3.22Å; T339-F343 PolarHBondContact O-N 3.04Å; L340-F343 PolarHBondContact O-N 3.43Å; L340-F343 VanDerWaalsContact O-N 3.1Å; F343-S345 PolarHBondContact O-N 2.84Å; F343-I346 HydrophobicContact CD1-CD1 4.39Å; F343-I346 WeakPolarHBondContact O-CB 3.3Å; F343-I346 PolarHBondContact O-N 3.18Å; F343-F349 HydrophobicContact CB-CD1 3.73Å; F343-F349 HydrophobicContact CB-CE1 3.67Å; F343-F349 HydrophobicContact CB-CG 4.3Å; F343-F349 HydrophobicContact CB-CZ 4.18Å; F343-F349 HydrophobicContact CD1-CD1 4.37Å; F343-F349 HydrophobicContact CD1-CD2 4.14Å; F343-F349 AromaticContact CD1-CE1 3.89Å; F343-F349 HydrophobicContact CD1-CE1 3.89Å; F343-F349 AromaticContact CD1-CE2 3.61Å; F343-F349 HydrophobicContact CD1-CE2 3.61Å; F343-F349 HydrophobicContact CD1-CG 4.49Å; F343-F349 AromaticContact CD1-CZ 3.47Å; F343-F349 HydrophobicContact CD1-CZ 3.47Å; F343-F349 VanDerWaalsContact CD1-CZ 3.47Å; F343-F349 HydrophobicContact CE1-CE2 4.09Å; F343-F349 AromaticContact CE1-CZ 3.99Å; F343-F349 HydrophobicContact CE1-CZ 3.99Å; F343-F349 HydrophobicContact CG-CD1 4.35Å; F343-F349 AromaticContact CG-CE1 3.86Å; F343-F349 HydrophobicContact CG-CE1 3.86Å; F343-F349 HydrophobicContact CG-CE2 4.41Å; F343-F349 AromaticContact CG-CZ 3.89Å; F343-F349 HydrophobicContact CG-CZ 3.89Å; F343-F349 WeakPolarHBondContact O-CB 3.43Å; F343-I351 HydrophobicContact CB-CG2 4.41Å; F343-V369 HydrophobicContact CD2-CB 4.38Å; F343-V369 HydrophobicContact CD2-CG1 4.04Å; F343-V369 HydrophobicContact CE2-CB 3.92Å; F343-V369 HydrophobicContact CE2-CG1 3.8Å; F343-V369 HydrophobicContact CE2-CG2 4.07Å; F343-V369 HydrophobicContact CZ-CB 4.41Å; F343-V369 HydrophobicContact CZ-CG2 4.3Å; F343-F528 AromaticContact CE1-CE2 3.95Å; F343-F528 HydrophobicContact CE1-CE2 3.95Å; F343-M531 HydrophobicContact CD1-CE 4.4Å; F343-M531 HydrophobicContact CE1-CE 3.54Å; F343-M531 HydrophobicContact CE1-SD 4.45Å; F343-M531 HydrophobicContact CE2-CE 4.18Å; F343-M531 HydrophobicContact CZ-CE 3.42Å; F343-M531 VanDerWaalsContact CZ-CE 3.42Å; F343-M531 HydrophobicContact CZ-SD 4.42Å
344E94.4Very high89.5Confident55 Ų5535.2 Ų35.226%0.25721%0.208SC..Hα-helixtrans-65.5-16.2175.2-75.8178.4127.500113.2R331 L340 D341 K342 I346 I351R331-E344 IonicContact CZ-OE1 2.68Å; R331-E344 IonicContact CZ-OE2 3.71Å; R331-E344 IonicContact NH1-OE1 2.77Å; R331-E344 IonicContact NH1-OE2 3.3Å; R331-E344 PolarHBondContact NH1-OE2 3.28Å; R331-E344 IonicContact NH2-OE1 3.32Å; R331-E344 PolarHBondContact NH2-OE1 2.88Å; R331-E344 IonicContact NH2-OE2 3.15Å; L340-E344 WeakPolarHBondContact O-CG 3.3Å; L340-E344 PolarHBondContact O-N 2.66Å; D341-E344 PolarHBondContact O-N 3.09Å; K342-E344 PolarHBondContact O-N 3.21Å; E344-I346 PolarHBondContact O-N 3.47Å; E344-I351 HydrophobicContact CG-CD1 4.02Å; E344-I351 HydrophobicContact CG-CG1 4.24Å; E344-I351 HydrophobicContact CG-CG2 3.92Å; E344-I351 VanDerWaalsContact OE1-CD1 3.26Å; E344-I351 WeakPolarHBondContact OE1-CD1 3.46Å
345S95.3Very high90.3Very high9 Ų938.5 Ų38.56%0.06322%0.219CC..THydrogen-bonded Turntrans-67.9-20.2169.677.30000113.1D341 K342 F343 P347 I472D341-S345 PolarHBondContact O-N 2.89Å; K342-S345 WeakPolarHBondContact O-CB 3.46Å; K342-S345 PolarHBondContact O-N 3.25Å; K342-S345 PolarHBondContact O-OG 2.65Å; F343-S345 PolarHBondContact O-N 2.84Å; S345-P347 WeakPolarHBondContact O-CD 3.4Å; S345-I472 WeakPolarHBondContact OG-CG1 3.45Å
346I97.6Very high91.1Very high1 Ų141.1 Ų41.11%0.00523%0.233CC..SBendtrans-79.7117.7171.3-59.5176.9000108.6F343 E344 G348 F349 I472 F528 V532 V541F343-I346 HydrophobicContact CD1-CD1 4.39Å; F343-I346 WeakPolarHBondContact O-CB 3.3Å; F343-I346 PolarHBondContact O-N 3.18Å; E344-I346 PolarHBondContact O-N 3.47Å; I346-G348 PolarHBondContact O-N 3.31Å; I346-F349 HydrophobicContact CB-CB 4.01Å; I346-F349 HydrophobicContact CD1-CD2 4.48Å; I346-F349 HydrophobicContact CG2-CB 4.26Å; I346-F349 WeakPolarHBondContact O-CB 3.29Å; I346-F349 PolarHBondContact O-N 3.32Å; I346-F349 VanDerWaalsContact O-N 3.12Å; I346-I472 HydrophobicContact CD1-CD1 4.08Å; I346-I472 HydrophobicContact CD1-CG2 4.09Å; I346-I472 HydrophobicContact CG1-CD1 4.34Å; I346-I472 HydrophobicContact CG1-CG1 4.39Å; I346-I472 HydrophobicContact CG1-CG2 3.99Å; I346-F528 HydrophobicContact CD1-CZ 4.15Å; I346-V532 HydrophobicContact CD1-CG2 3.87Å; I346-V532 HydrophobicContact CG2-CG1 3.97Å; I346-V541 HydrophobicContact CG1-CG2 4.4Å; I346-V541 HydrophobicContact CG2-CG2 4.15Å
347P96.7Very high92.3Very high67 Ų6744.1 Ų44.144%0.43524%0.244SC..THydrogen-bonded Turntrans-56.1126.4-178.5-26.635.8000112.5S345 F349 G537 D538S345-P347 WeakPolarHBondContact O-CD 3.4Å; P347-F349 VanDerWaalsContact C-N 3.31Å; P347-F349 PolarHBondContact O-N 3.45Å; P347-G537 CarbonylContact O-C 3.6Å; P347-G537 WeakPolarHBondContact O-CA 3.35Å; P347-D538 HydrophobicContact CB-CB 4.38Å; P347-D538 PolarHBondContact O-N 3.3Å
348G96.6Very high93.3Very high54 Ų5443.1 Ų43.156%0.55723%0.234SC*.THydrogen-bonded Turntrans83.2-4.5177.100000115.6I346 K350 G536I346-G348 PolarHBondContact O-N 3.31Å; G348-K350 PolarHBondContact O-N 3.15Å; G348-G536 CarbonylContact C-O 3.56Å; G348-G536 CarbonylContact O-C 3.49Å; G348-G536 VanDerWaalsContact O-C 3.27Å; G348-G536 VanDerWaalsContact O-O 3.06Å
349F97.3Very high93.7Very high14 Ų1443.4 Ų43.46%0.06124%0.235CC..  trans-64.4124179.6-167.9-78.9000110.8F343 I346 P347 I351 M531 V532 Q535F343-F349 HydrophobicContact CB-CD1 3.73Å; F343-F349 HydrophobicContact CB-CE1 3.67Å; F343-F349 HydrophobicContact CB-CG 4.3Å; F343-F349 HydrophobicContact CB-CZ 4.18Å; F343-F349 HydrophobicContact CD1-CD1 4.37Å; F343-F349 HydrophobicContact CD1-CD2 4.14Å; F343-F349 AromaticContact CD1-CE1 3.89Å; F343-F349 HydrophobicContact CD1-CE1 3.89Å; F343-F349 AromaticContact CD1-CE2 3.61Å; F343-F349 HydrophobicContact CD1-CE2 3.61Å; F343-F349 HydrophobicContact CD1-CG 4.49Å; F343-F349 AromaticContact CD1-CZ 3.47Å; F343-F349 HydrophobicContact CD1-CZ 3.47Å; F343-F349 VanDerWaalsContact CD1-CZ 3.47Å; F343-F349 HydrophobicContact CE1-CE2 4.09Å; F343-F349 AromaticContact CE1-CZ 3.99Å; F343-F349 HydrophobicContact CE1-CZ 3.99Å; F343-F349 HydrophobicContact CG-CD1 4.35Å; F343-F349 AromaticContact CG-CE1 3.86Å; F343-F349 HydrophobicContact CG-CE1 3.86Å; F343-F349 HydrophobicContact CG-CE2 4.41Å; F343-F349 AromaticContact CG-CZ 3.89Å; F343-F349 HydrophobicContact CG-CZ 3.89Å; F343-F349 WeakPolarHBondContact O-CB 3.43Å; I346-F349 HydrophobicContact CB-CB 4.01Å; I346-F349 HydrophobicContact CD1-CD2 4.48Å; I346-F349 HydrophobicContact CG2-CB 4.26Å; I346-F349 WeakPolarHBondContact O-CB 3.29Å; I346-F349 PolarHBondContact O-N 3.32Å; I346-F349 VanDerWaalsContact O-N 3.12Å; P347-F349 VanDerWaalsContact C-N 3.31Å; P347-F349 PolarHBondContact O-N 3.45Å; F349-I351 HydrophobicContact CD1-CG2 3.96Å; F349-I351 HydrophobicContact CE1-CG2 4.11Å; F349-M531 HydrophobicContact CE2-CE 4.44Å; F349-M531 HydrophobicContact CZ-CE 3.97Å; F349-V532 HydrophobicContact CE2-CG2 4.42Å; F349-Q535 HydrophobicContact CD2-CB 4.18Å; F349-Q535 HydrophobicContact CE1-CB 4.11Å; F349-Q535 VanDerWaalsContact CE1-NE2 3.34Å; F349-Q535 HydrophobicContact CE2-CB 3.75Å; F349-Q535 HydrophobicContact CE2-CG 4.45Å; F349-Q535 HydrophobicContact CZ-CB 3.71Å; F349-Q535 HydrophobicContact CZ-CG 4.09Å
350K95.7Very high94Very high116 Ų11646.5 Ų46.550%0.50425%0.25SS..  trans-93.3113.9-179.3-61.3178.9-177.4177.90110G348 L353 Q535G348-K350 PolarHBondContact O-N 3.15Å; K350-L353 HydrophobicContact CB-CD2 4.09Å; K350-L353 HydrophobicContact CD-CD2 4.39Å; K350-Q535 VanDerWaalsContact CB-O 3.31Å; K350-Q535 WeakPolarHBondContact CB-O 3.25Å; K350-Q535 WeakPolarHBondContact CG-O 3.23Å; K350-Q535 PolarHBondContact N-O 2.95Å; K350-Q535 PolarHBondContact O-NE2 3.28Å
351I93.2Very high94.2Very high11 Ų1147.2 Ų47.26%0.05625%0.254CS..SBendtrans-88.3-15.8171.958.4158.6000112.8L340 F343 E344 F349 I370 G371L340-I351 HydrophobicContact CB-CD1 4.22Å; L340-I351 HydrophobicContact CB-CG2 4.26Å; L340-I351 HydrophobicContact CD1-CD1 4.18Å; L340-I351 HydrophobicContact CD2-CB 4.24Å; L340-I351 HydrophobicContact CD2-CG2 4.14Å; F343-I351 HydrophobicContact CB-CG2 4.41Å; E344-I351 HydrophobicContact CG-CD1 4.02Å; E344-I351 HydrophobicContact CG-CG1 4.24Å; E344-I351 HydrophobicContact CG-CG2 3.92Å; E344-I351 VanDerWaalsContact OE1-CD1 3.26Å; E344-I351 WeakPolarHBondContact OE1-CD1 3.46Å; F349-I351 HydrophobicContact CD1-CG2 3.96Å; F349-I351 HydrophobicContact CE1-CG2 4.11Å; I351-I370 CarbonylContact O-C 3.52Å; I351-I370 WeakPolarHBondContact O-CA 3.46Å; I351-I370 WeakPolarHBondContact O-CB 2.91Å; I351-G371 PolarHBondContact O-N 2.89Å
352E92.1Very high94.4Very high159 Ų15947.1 Ų47.174%0.74325%0.254SS*.  trans-109122.2175.3-69179.4-176.600109.2
353L91.7Very high94.6Very high22 Ų2249 Ų4912%0.11526%0.264CS..  trans-131.8155.4176.2-61.4-179.7000108.7K350 E357 I361 I370 Q535K350-L353 HydrophobicContact CB-CD2 4.09Å; K350-L353 HydrophobicContact CD-CD2 4.39Å; L353-E357 HydrophobicContact CB-CB 4.22Å; L353-I361 HydrophobicContact CD1-CD1 3.65Å; L353-I370 HydrophobicContact CB-CG2 4.28Å; L353-I370 HydrophobicContact CD1-CG2 3.65Å; L353-I370 HydrophobicContact CG-CG2 3.9Å; L353-Q535 HydrophobicContact CD1-CG 4.43Å
354S90.7Very high94.7Very high59 Ų5955.2 Ų55.241%0.41329%0.291SS..  trans-68.4155.5164.664.30000110.9Q356 E357 F358S354-Q356 PolarHBondContact O-N 3.36Å; S354-E357 WeakPolarHBondContact CB-OE2 3.33Å; S354-E357 PolarHBondContact N-OE2 3.33Å; S354-E357 PolarHBondContact O-N 3.14Å; S354-E357 VanDerWaalsContact O-N 3.1Å; S354-E357 WeakPolarHBondContact OG-CB 3.49Å; S354-E357 VanDerWaalsContact OG-CD 3.27Å; S354-E357 WeakPolarHBondContact OG-CG 3.31Å; S354-E357 PolarHBondContact OG-N 3.21Å; S354-E357 PolarHBondContact OG-OE2 3.21Å; S354-F358 PolarHBondContact O-N 3.31Å
355D88.6Confident94.7Very high91 Ų9152.6 Ų52.649%0.48728%0.279SS..Hα-helixtrans-56.8-37.5180-60.2-17.7000112F358 V359 S373D355-F358 PolarHBondContact O-N 3.03Å; D355-V359 VanDerWaalsContact O-CG2 3.28Å; D355-V359 WeakPolarHBondContact O-CG2 3.45Å; D355-V359 PolarHBondContact O-N 3.48Å; D355-S373 PolarHBondContact OD1-OG 2.74Å; D355-S373 VanDerWaalsContact OD1-OG 3.12Å
356Q91.4Very high94.9Very high117 Ų11753.9 Ų53.955%0.54728%0.283SS..Hα-helixtrans-68.5-43.6176.8-172.362.556.700112.2S354 F358 V359 D360S354-Q356 PolarHBondContact O-N 3.36Å; Q356-F358 VanDerWaalsContact C-N 3.29Å; Q356-F358 PolarHBondContact O-N 3.45Å; Q356-V359 PolarHBondContact O-N 3.17Å; Q356-D360 PolarHBondContact NE2-OD1 2.68Å; Q356-D360 WeakPolarHBondContact O-CB 3.4Å; Q356-D360 PolarHBondContact O-N 3.4Å
357E93.6Very high94.9Very high93 Ų9353.8 Ų53.844%0.43528%0.283SS..Hα-helixtrans-61.6-40175.6-74.3167.1133.300111.2L353 S354 D360 I361L353-E357 HydrophobicContact CB-CB 4.22Å; S354-E357 WeakPolarHBondContact CB-OE2 3.33Å; S354-E357 PolarHBondContact N-OE2 3.33Å; S354-E357 PolarHBondContact O-N 3.14Å; S354-E357 VanDerWaalsContact O-N 3.1Å; S354-E357 WeakPolarHBondContact OG-CB 3.49Å; S354-E357 VanDerWaalsContact OG-CD 3.27Å; S354-E357 WeakPolarHBondContact OG-CG 3.31Å; S354-E357 PolarHBondContact OG-N 3.21Å; S354-E357 PolarHBondContact OG-OE2 3.21Å; E357-D360 PolarHBondContact O-N 2.78Å; E357-I361 WeakPolarHBondContact O-CB 3.28Å; E357-I361 VanDerWaalsContact O-CG1 3.28Å; E357-I361 WeakPolarHBondContact O-CG1 3.37Å; E357-I361 PolarHBondContact O-N 2.88Å
358F94.1Very high94.9Very high2 Ų250.6 Ų50.61%0.00926%0.262CS..Hα-helixtrans-60.5-50.3175.5176.6-107.9000111.6L290 I293 A326 M328 S354 D355 Q356 D360 I361 V362 A368 I370L290-F358 HydrophobicContact CD2-CD1 4.16Å; L290-F358 HydrophobicContact CD2-CE1 3.7Å; I293-F358 HydrophobicContact CD1-CE1 4.19Å; A326-F358 HydrophobicContact CB-CE1 4.07Å; A326-F358 HydrophobicContact CB-CZ 3.71Å; M328-F358 HydrophobicContact CE-CD1 4.18Å; M328-F358 HydrophobicContact CE-CE1 3.7Å; M328-F358 HydrophobicContact CE-CZ 4.02Å; S354-F358 PolarHBondContact O-N 3.31Å; D355-F358 PolarHBondContact O-N 3.03Å; Q356-F358 VanDerWaalsContact C-N 3.29Å; Q356-F358 PolarHBondContact O-N 3.45Å; F358-D360 VanDerWaalsContact C-N 3.34Å; F358-D360 PolarHBondContact O-N 3.18Å; F358-I361 PolarHBondContact O-N 3.36Å; F358-V362 HydrophobicContact CD2-CG2 4.3Å; F358-V362 HydrophobicContact CE1-CG2 4.42Å; F358-V362 HydrophobicContact CE2-CG2 4.01Å; F358-V362 HydrophobicContact CZ-CG2 4.09Å; F358-V362 WeakPolarHBondContact O-CG2 3.34Å; F358-V362 PolarHBondContact O-N 2.99Å; F358-A368 HydrophobicContact CD2-CB 3.65Å; F358-A368 HydrophobicContact CE2-CB 3.57Å; F358-I370 HydrophobicContact CB-CD1 4.13Å; F358-I370 HydrophobicContact CD1-CD1 4.35Å; F358-I370 HydrophobicContact CD2-CB 4.45Å; F358-I370 HydrophobicContact CD2-CD1 3.4Å; F358-I370 HydrophobicContact CD2-CG1 3.68Å; F358-I370 HydrophobicContact CD2-CG2 3.92Å; F358-I370 HydrophobicContact CE2-CD1 3.76Å; F358-I370 HydrophobicContact CE2-CG1 3.65Å; F358-I370 HydrophobicContact CE2-CG2 4.37Å; F358-I370 HydrophobicContact CG-CD1 3.71Å; F358-I370 HydrophobicContact CG-CG1 4.47Å; F358-I370 HydrophobicContact CZ-CD1 4.37Å; F358-I370 HydrophobicContact CZ-CG1 4.42Å
359V94.4Very high94.9Very high10 Ų1048 Ų486%0.06124%0.235CC..Hα-helixtrans-58.1-45.7176.4167.10000111.4S292 I293 D355 Q356 V362 N363S292-V359 VanDerWaalsContact OG-CG1 3.28Å; S292-V359 WeakPolarHBondContact OG-CG1 3.41Å; S292-V359 WeakPolarHBondContact OG-CG2 3.12Å; I293-V359 HydrophobicContact CD1-CG2 4.33Å; I293-V359 HydrophobicContact CG1-CB 4.29Å; I293-V359 HydrophobicContact CG1-CG1 4.09Å; I293-V359 HydrophobicContact CG1-CG2 4.08Å; D355-V359 VanDerWaalsContact O-CG2 3.28Å; D355-V359 WeakPolarHBondContact O-CG2 3.45Å; D355-V359 PolarHBondContact O-N 3.48Å; Q356-V359 PolarHBondContact O-N 3.17Å; V359-V362 PolarHBondContact O-N 3.33Å; V359-N363 WeakPolarHBondContact O-CB 3.47Å; V359-N363 PolarHBondContact O-N 3.01Å; V359-N363 PolarHBondContact O-ND2 3.45Å
360D96.2Very high94.7Very high87 Ų8747.5 Ų47.547%0.46523%0.233SC..Hα-helixtrans-63.6-43.6-178.3-70.6-13.2000111.6Q356 E357 F358 N363 K364Q356-D360 PolarHBondContact NE2-OD1 2.68Å; Q356-D360 WeakPolarHBondContact O-CB 3.4Å; Q356-D360 PolarHBondContact O-N 3.4Å; E357-D360 PolarHBondContact O-N 2.78Å; F358-D360 VanDerWaalsContact C-N 3.34Å; F358-D360 PolarHBondContact O-N 3.18Å; D360-N363 PolarHBondContact O-N 2.87Å; D360-K364 VanDerWaalsContact O-CB 3.27Å; D360-K364 WeakPolarHBondContact O-CB 3.15Å; D360-K364 PolarHBondContact O-N 3.4Å
361I96.8Very high94.4Very high20 Ų2042.5 Ų42.510%0.10321%0.214CC..Hα-helixtrans-65.2-45.5177.2-69.2172.9000110.8L353 E357 F358 N363 K364 S365 V367 A368 D534 Q535L353-I361 HydrophobicContact CD1-CD1 3.65Å; E357-I361 WeakPolarHBondContact O-CB 3.28Å; E357-I361 VanDerWaalsContact O-CG1 3.28Å; E357-I361 WeakPolarHBondContact O-CG1 3.37Å; E357-I361 PolarHBondContact O-N 2.88Å; F358-I361 PolarHBondContact O-N 3.36Å; I361-N363 VanDerWaalsContact C-N 3.34Å; I361-N363 PolarHBondContact O-N 3.32Å; I361-K364 PolarHBondContact O-N 2.86Å; I361-S365 WeakPolarHBondContact O-CB 3.42Å; I361-S365 PolarHBondContact O-N 3.31Å; I361-V367 WeakPolarHBondContact CG2-O 3.45Å; I361-A368 HydrophobicContact CG2-CB 3.99Å; I361-D534 HydrophobicContact CD1-CB 4.48Å; I361-D534 WeakPolarHBondContact CD1-O 3.26Å; I361-D534 HydrophobicContact CG1-CB 4.41Å; I361-D534 HydrophobicContact CG2-CB 4.08Å; I361-Q535 HydrophobicContact CD1-CG 4.36Å
362V97.4Very high93.8Very high0 Ų045.5 Ų45.50%023%0.228CC..Hα-helixtrans-66.3-38.4179.1-177.80000110.7I293 P324 A326 F358 V359 K364 K366 A368I293-V362 HydrophobicContact CD1-CB 3.91Å; I293-V362 HydrophobicContact CD1-CG1 4.01Å; I293-V362 HydrophobicContact CD1-CG2 4.24Å; I293-V362 HydrophobicContact CG1-CB 4.37Å; I293-V362 HydrophobicContact CG1-CG1 4.48Å; I293-V362 HydrophobicContact CG2-CB 4.26Å; I293-V362 HydrophobicContact CG2-CG1 3.57Å; P324-V362 HydrophobicContact CB-CG1 3.95Å; A326-V362 HydrophobicContact CB-CG1 4.34Å; A326-V362 HydrophobicContact CB-CG2 4.31Å; F358-V362 HydrophobicContact CD2-CG2 4.3Å; F358-V362 HydrophobicContact CE1-CG2 4.42Å; F358-V362 HydrophobicContact CE2-CG2 4.01Å; F358-V362 HydrophobicContact CZ-CG2 4.09Å; F358-V362 WeakPolarHBondContact O-CG2 3.34Å; F358-V362 PolarHBondContact O-N 2.99Å; V359-V362 PolarHBondContact O-N 3.33Å; V362-K364 PolarHBondContact O-N 2.86Å; V362-K366 WeakPolarHBondContact O-CA 3.04Å; V362-K366 PolarHBondContact O-N 3.41Å; V362-A368 HydrophobicContact CG2-CB 3.62Å
363N97.3Very high92.7Very high41 Ų4139.2 Ų39.222%0.21920%0.202CC..Hα-helixtrans-63.3-42176-86.7-34.3000112.5S292 I293 E294 V359 D360 I361 K366S292-N363 PolarHBondContact O-ND2 3.38Å; I293-N363 WeakPolarHBondContact CA-OD1 3.37Å; E294-N363 PolarHBondContact N-OD1 3.47Å; V359-N363 WeakPolarHBondContact O-CB 3.47Å; V359-N363 PolarHBondContact O-N 3.01Å; V359-N363 PolarHBondContact O-ND2 3.45Å; D360-N363 PolarHBondContact O-N 2.87Å; I361-N363 VanDerWaalsContact C-N 3.34Å; I361-N363 PolarHBondContact O-N 3.32Å; N363-K366 PolarHBondContact O-NZ 2.96Å; N363-K366 VanDerWaalsContact O-NZ 3.09Å
364K96.8Very high91.5Very high132 Ų13241.2 Ų41.257%0.57423%0.228SC*.Hα-helixtrans-69.1-54.7179.1-179.5-166168.7-157.90112.3D360 I361 V362 D534D360-K364 VanDerWaalsContact O-CB 3.27Å; D360-K364 WeakPolarHBondContact O-CB 3.15Å; D360-K364 PolarHBondContact O-N 3.4Å; I361-K364 PolarHBondContact O-N 2.86Å; V362-K364 PolarHBondContact O-N 2.86Å; K364-D534 IonicContact NZ-OD1 3.82Å; K364-D534 PolarHBondContact NZ-OD1 3.1Å; K364-D534 IonicContact NZ-OD2 2.75Å; K364-D534 PolarHBondContact NZ-OD2 3.19Å
365S96.4Very high91.2Very high0 Ų042.6 Ų42.60%023%0.231CC..Hα-helixtrans-109.8-8-163-55.70000112.7I361 V367 K527 E530 D534I361-S365 WeakPolarHBondContact O-CB 3.42Å; I361-S365 PolarHBondContact O-N 3.31Å; S365-V367 PolarHBondContact O-N 2.93Å; S365-K527 VanDerWaalsContact O-CD 3.27Å; S365-K527 WeakPolarHBondContact O-CD 3.28Å; S365-K527 WeakPolarHBondContact O-CE 3.47Å; S365-K527 PolarHBondContact O-NZ 3.32Å; S365-E530 PolarHBondContact OG-OE1 2.92Å; S365-D534 PolarHBondContact OG-OD2 2.85Å
366K98.1Very high91.1Very high35 Ų3539.1 Ų39.115%0.15221%0.212CC..SBendtrans65.510-176.5-52.5-54.6-176.8-1630114.4E294 A319 P324 V325 V362 N363E294-K366 IonicContact OE2-NZ 3.89Å; A319-K366 HydrophobicContact CB-CB 4.08Å; A319-K366 WeakPolarHBondContact CB-O 3.1Å; P324-K366 CarbonylContact C-O 3.43Å; P324-K366 WeakPolarHBondContact CA-O 3.19Å; P324-K366 HydrophobicContact CB-CD 4.38Å; V325-K366 PolarHBondContact N-O 3.44Å; V362-K366 WeakPolarHBondContact O-CA 3.04Å; V362-K366 PolarHBondContact O-N 3.41Å; N363-K366 PolarHBondContact O-NZ 2.96Å; N363-K366 VanDerWaalsContact O-NZ 3.09Å
367V98.1Very high91.1Very high0 Ų033.5 Ų33.50%019%0.186CC..EExtended strand (participates in β ladder)trans-149.7134.5178.158.30000112.2A315 A319 V325 I361 S365 K527 M531A315-V367 HydrophobicContact CB-CG2 3.88Å; A319-V367 HydrophobicContact CB-CB 3.6Å; A319-V367 HydrophobicContact CB-CG1 3.96Å; A319-V367 HydrophobicContact CB-CG2 4.47Å; V325-V367 HydrophobicContact CB-CB 4.5Å; V325-V367 HydrophobicContact CB-CG2 4.27Å; V325-V367 WeakPolarHBondContact O-CA 3.48Å; I361-V367 WeakPolarHBondContact CG2-O 3.45Å; S365-V367 PolarHBondContact O-N 2.93Å; V367-K527 HydrophobicContact CG1-CD 4.02Å; V367-K527 HydrophobicContact CG1-CG 4.28Å; V367-M531 HydrophobicContact CG1-CB 3.77Å; V367-M531 HydrophobicContact CG1-CG 3.95Å; V367-M531 HydrophobicContact CG1-SD 4.18Å; V367-M531 HydrophobicContact CG2-CE 4.39Å; V367-M531 HydrophobicContact CG2-CG 4.24Å; V367-M531 HydrophobicContact CG2-SD 3.57Å; V367-M531 VanDerWaalsContact CG2-SD 3.57Å
368A96.9Very high91Very high0 Ų029.9 Ų29.90%017%0.17CC..EExtended strand (participates in β ladder)trans-149.8139.7161.300000109.5V325 K327 F358 I361 V362V325-A368 PolarHBondContact O-N 3.07Å; V325-A368 VanDerWaalsContact O-N 3.12Å; K327-A368 PolarHBondContact N-O 3.22Å; F358-A368 HydrophobicContact CD2-CB 3.65Å; F358-A368 HydrophobicContact CE2-CB 3.57Å; I361-A368 HydrophobicContact CG2-CB 3.99Å; V362-A368 HydrophobicContact CG2-CB 3.62Å
369V95.9Very high91Very high0 Ų029.8 Ų29.80%017%0.17CC..EExtended strand (participates in β ladder)trans-119.9110.4172.7-179.80000107.9A315 K327 T339 L340 F343 M531 Q535A315-V369 HydrophobicContact CB-CG2 4.22Å; K327-V369 HydrophobicContact CB-CG2 4.06Å; K327-V369 HydrophobicContact CD-CG1 4.5Å; K327-V369 HydrophobicContact CD-CG2 4.35Å; K327-V369 HydrophobicContact CG-CG1 4.24Å; K327-V369 HydrophobicContact CG-CG2 4.37Å; K327-V369 WeakPolarHBondContact O-CA 3.3Å; T339-V369 HydrophobicContact CG2-CG1 4.04Å; L340-V369 HydrophobicContact CD2-CG1 4.44Å; F343-V369 HydrophobicContact CD2-CB 4.38Å; F343-V369 HydrophobicContact CD2-CG1 4.04Å; F343-V369 HydrophobicContact CE2-CB 3.92Å; F343-V369 HydrophobicContact CE2-CG1 3.8Å; F343-V369 HydrophobicContact CE2-CG2 4.07Å; F343-V369 HydrophobicContact CZ-CB 4.41Å; F343-V369 HydrophobicContact CZ-CG2 4.3Å; V369-M531 HydrophobicContact CB-CE 3.64Å; V369-M531 HydrophobicContact CG2-CE 3.45Å; V369-M531 VanDerWaalsContact CG2-CE 3.45Å; V369-Q535 PolarHBondContact O-NE2 3.14Å
370I94.2Very high91Very high2 Ų229.6 Ų29.61%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-124164.7-178.360164000111.5K327 M328 S329 I351 L353 F358K327-I370 PolarHBondContact O-N 2.95Å; M328-I370 WeakPolarHBondContact CA-O 3.28Å; M328-I370 HydrophobicContact CE-CD1 4.1Å; M328-I370 HydrophobicContact CG-CD1 4.15Å; M328-I370 HydrophobicContact CG-CG1 3.87Å; S329-I370 PolarHBondContact N-O 3.4Å; I351-I370 CarbonylContact O-C 3.52Å; I351-I370 WeakPolarHBondContact O-CA 3.46Å; I351-I370 WeakPolarHBondContact O-CB 2.91Å; L353-I370 HydrophobicContact CB-CG2 4.28Å; L353-I370 HydrophobicContact CD1-CG2 3.65Å; L353-I370 HydrophobicContact CG-CG2 3.9Å; F358-I370 HydrophobicContact CB-CD1 4.13Å; F358-I370 HydrophobicContact CD1-CD1 4.35Å; F358-I370 HydrophobicContact CD2-CB 4.45Å; F358-I370 HydrophobicContact CD2-CD1 3.4Å; F358-I370 HydrophobicContact CD2-CG1 3.68Å; F358-I370 HydrophobicContact CD2-CG2 3.92Å; F358-I370 HydrophobicContact CE2-CD1 3.76Å; F358-I370 HydrophobicContact CE2-CG1 3.65Å; F358-I370 HydrophobicContact CE2-CG2 4.37Å; F358-I370 HydrophobicContact CG-CD1 3.71Å; F358-I370 HydrophobicContact CG-CG1 4.47Å; F358-I370 HydrophobicContact CZ-CD1 4.37Å; F358-I370 HydrophobicContact CZ-CG1 4.42Å
371G89.6Confident90.7Very high11 Ų1132.3 Ų32.311%0.11318%0.176CC..EExtended strand (participates in β ladder)trans-62.4157.8162.900000111.4S329 I351 S373S329-G371 WeakPolarHBondContact O-CA 3.31Å; I351-G371 PolarHBondContact O-N 2.89Å; G371-S373 PolarHBondContact O-N 3.3Å; G371-S373 VanDerWaalsContact O-N 3.07Å
372Q80.7Confident90.5Very high74 Ų7435.2 Ų35.235%0.34619%0.188SC..  trans-62.9109.7167.9-65.3178.4-57.200108.8M328 S329 L376M328-Q372 HydrophobicContact CB-CG 4.23Å; S329-Q372 PolarHBondContact O-N 3.15Å; Q372-L376 HydrophobicContact CB-CD1 4Å; Q372-L376 HydrophobicContact CG-CD1 4.17Å
373S68.3Low90.4Very high28 Ų2835.5 Ų35.520%0.19619%0.189CC..  trans-79157.1166.858.80000110D355 G371 L376D355-S373 PolarHBondContact OD1-OG 2.74Å; D355-S373 VanDerWaalsContact OD1-OG 3.12Å; G371-S373 PolarHBondContact O-N 3.3Å; G371-S373 VanDerWaalsContact O-N 3.07Å; S373-L376 WeakPolarHBondContact O-CG 3.39Å
374G67Low90Very high64 Ų6437 Ų3766%0.6619%0.192SC*.SBendtrans73.1-169.8177.600000114.9
375N84Confident89.6Confident88 Ų8833 Ų3347%0.47118%0.184SC..  trans-101.266.4177.6-167.838.4000109.6G285 D286 A377 P378G285-N375 WeakPolarHBondContact CA-O 3.34Å; D286-N375 PolarHBondContact N-O 3.48Å; D286-N375 PolarHBondContact OD2-N 2.88Å; N375-A377 PolarHBondContact O-N 3.19Å; N375-P378 WeakPolarHBondContact ND2-CG 3.36Å; N375-P378 WeakPolarHBondContact O-CD 3.39Å
376L85.7Confident89.5Confident17 Ų1733.6 Ų33.69%0.08919%0.187CC..  trans-72.2127.4179.8-54.9-176.8000111.1D286 I288 M328 Q372 S373 A409D286-L376 HydrophobicContact CB-CD2 4.07Å; D286-L376 VanDerWaalsContact O-CD2 3.22Å; D286-L376 WeakPolarHBondContact O-CD2 3.09Å; I288-L376 HydrophobicContact CD1-CD1 3.76Å; I288-L376 HydrophobicContact CD1-CD2 3.69Å; I288-L376 HydrophobicContact CD1-CG 4.26Å; I288-L376 HydrophobicContact CG1-CD2 3.71Å; M328-L376 HydrophobicContact SD-CD1 4.34Å; Q372-L376 HydrophobicContact CB-CD1 4Å; Q372-L376 HydrophobicContact CG-CD1 4.17Å; S373-L376 WeakPolarHBondContact O-CG 3.39Å; L376-A409 HydrophobicContact CB-CB 4.47Å; L376-A409 HydrophobicContact CD2-CB 4.48Å
377A91Very high89.3Confident0 Ų032.4 Ų32.40%018%0.181CC..SBendtrans42.456175.800000114.1M281 N375 A379 D380 K381 K406M281-A377 VanDerWaalsContact O-CA 3.31Å; M281-A377 WeakPolarHBondContact O-CA 3.22Å; M281-A377 WeakPolarHBondContact O-CB 3.42Å; N375-A377 PolarHBondContact O-N 3.19Å; A377-A379 PolarHBondContact O-N 2.64Å; A377-A379 VanDerWaalsContact O-N 3.15Å; A377-D380 HydrophobicContact CB-CB 4.08Å; A377-D380 WeakPolarHBondContact O-CB 3.31Å; A377-D380 PolarHBondContact O-N 2.76Å; A377-K381 PolarHBondContact O-N 3.36Å; A377-K406 HydrophobicContact CB-CG 4.36Å
378P92.1Very high88.7Confident16 Ų1636 Ų3610%0.10420%0.201CC..Hα-helixtrans-57.8-30.8-176.923.1-35.7000113.6S284 N375 D380 K381 K382S284-P378 WeakPolarHBondContact O-CG 3.48Å; S284-P378 WeakPolarHBondContact OG-CD 3.41Å; N375-P378 WeakPolarHBondContact ND2-CG 3.36Å; N375-P378 WeakPolarHBondContact O-CD 3.39Å; P378-D380 VanDerWaalsContact C-N 3.33Å; P378-K381 PolarHBondContact O-N 3.37Å; P378-K382 PolarHBondContact O-N 3.07Å; P378-K382 VanDerWaalsContact O-N 3.15Å
379A94.4Very high88.4Confident0 Ų041.6 Ų41.60%024%0.235CC..Hα-helixtrans-60.7-43.5173.900000111.6I244 A248 M281 S284 A377 K381 K382 L383I244-A379 HydrophobicContact CG2-CB 3.57Å; A248-A379 HydrophobicContact CB-CB 4.29Å; M281-A379 HydrophobicContact CG-CB 4.19Å; S284-A379 WeakPolarHBondContact OG-CB 3.42Å; S284-A379 PolarHBondContact OG-N 3.3Å; A377-A379 PolarHBondContact O-N 2.64Å; A377-A379 VanDerWaalsContact O-N 3.15Å; A379-K381 VanDerWaalsContact C-N 3.34Å; A379-K381 PolarHBondContact O-N 3.42Å; A379-K382 PolarHBondContact O-N 3.2Å; A379-L383 WeakPolarHBondContact O-CB 3.31Å; A379-L383 VanDerWaalsContact O-CG 3.27Å; A379-L383 WeakPolarHBondContact O-CG 3.36Å; A379-L383 PolarHBondContact O-N 3.12Å
380D94.2Very high88.3Confident6 Ų643 Ų433%0.03224%0.243CC..Hα-helixtrans-60.4-43.7175.2173.660.7000111M281 A377 P378 K382 L383 Y384 S402 K406M281-D380 HydrophobicContact SD-CB 4.12Å; A377-D380 HydrophobicContact CB-CB 4.08Å; A377-D380 WeakPolarHBondContact O-CB 3.31Å; A377-D380 PolarHBondContact O-N 2.76Å; P378-D380 VanDerWaalsContact C-N 3.33Å; D380-K382 VanDerWaalsContact C-N 3.31Å; D380-K382 PolarHBondContact O-N 3.35Å; D380-L383 PolarHBondContact O-N 2.73Å; D380-L383 VanDerWaalsContact O-N 3.17Å; D380-Y384 VanDerWaalsContact O-CB 3.22Å; D380-Y384 WeakPolarHBondContact O-CB 3.04Å; D380-Y384 PolarHBondContact O-N 2.81Å; D380-S402 WeakPolarHBondContact OD1-CA 3.35Å; D380-S402 WeakPolarHBondContact OD1-CB 3.34Å; D380-S402 PolarHBondContact OD1-OG 3.17Å; D380-S402 PolarHBondContact OD2-OG 2.87Å; D380-K406 IonicContact OD1-NZ 2.59Å; D380-K406 WeakPolarHBondContact OD2-CD 3.44Å; D380-K406 IonicContact OD2-NZ 3.92Å; D380-K406 PolarHBondContact OD2-NZ 2.89Å
381K89.4Confident88.2Confident144 Ų14446.6 Ų46.663%0.62627%0.274SS*.Hα-helixtrans-58.6-41.9178.9-174.9177.3-179.9177.20112.4A377 P378 A379 A385A377-K381 PolarHBondContact O-N 3.36Å; P378-K381 PolarHBondContact O-N 3.37Å; A379-K381 VanDerWaalsContact C-N 3.34Å; A379-K381 PolarHBondContact O-N 3.42Å; K381-A385 PolarHBondContact O-N 3.17Å
382K92.9Very high88.4Confident82 Ų8246.1 Ų46.136%0.35727%0.268SS..Hα-helixtrans-68.3-46175.1-71.4179.5163.7-179.30111.3Y247 A248 P378 A379 D380 Y384 A385 L386Y247-K382 HydrophobicContact CD1-CB 4.04Å; Y247-K382 HydrophobicContact CD1-CD 4.49Å; Y247-K382 HydrophobicContact CE1-CB 3.33Å; Y247-K382 HydrophobicContact CE1-CD 4.34Å; Y247-K382 HydrophobicContact CE1-CG 4.47Å; Y247-K382 WeakPolarHBondContact O-CD 3.44Å; Y247-K382 PolarHBondContact O-NZ 3.34Å; A248-K382 PolarHBondContact O-NZ 2.99Å; P378-K382 PolarHBondContact O-N 3.07Å; P378-K382 VanDerWaalsContact O-N 3.15Å; A379-K382 PolarHBondContact O-N 3.2Å; D380-K382 VanDerWaalsContact C-N 3.31Å; D380-K382 PolarHBondContact O-N 3.35Å; K382-Y384 VanDerWaalsContact C-N 3.35Å; K382-Y384 PolarHBondContact O-N 2.85Å; K382-A385 PolarHBondContact O-N 2.74Å; K382-L386 PolarHBondContact O-N 2.88Å
383L94.9Very high88.6Confident5 Ų543.9 Ų43.93%0.02626%0.26CS..Hα-helixtrans-64.8-39-179-72.7173.3000112.5I244 Y247 M257 L261 M281 A379 D380 L386 R387I244-L383 HydrophobicContact CD1-CD1 3.84Å; Y247-L383 HydrophobicContact CD1-CD2 3.63Å; Y247-L383 HydrophobicContact CD1-CG 3.78Å; Y247-L383 HydrophobicContact CE1-CB 4.47Å; Y247-L383 HydrophobicContact CE1-CD2 3.44Å; Y247-L383 VanDerWaalsContact CE1-CD2 3.44Å; Y247-L383 HydrophobicContact CE1-CG 3.67Å; M257-L383 HydrophobicContact CE-CD1 4.25Å; M257-L383 HydrophobicContact CE-CD2 3.28Å; M257-L383 HydrophobicContact CE-CG 4.41Å; M257-L383 HydrophobicContact CG-CD2 3.44Å; M257-L383 VanDerWaalsContact CG-CD2 3.44Å; M257-L383 HydrophobicContact SD-CD2 4Å; L261-L383 HydrophobicContact CD1-CD2 4.28Å; L261-L383 HydrophobicContact CD2-CD2 4.26Å; M281-L383 HydrophobicContact CG-CD1 4.4Å; M281-L383 HydrophobicContact SD-CD1 3.59Å; M281-L383 VanDerWaalsContact SD-CD1 3.59Å; A379-L383 WeakPolarHBondContact O-CB 3.31Å; A379-L383 VanDerWaalsContact O-CG 3.27Å; A379-L383 WeakPolarHBondContact O-CG 3.36Å; A379-L383 PolarHBondContact O-N 3.12Å; D380-L383 PolarHBondContact O-N 2.73Å; D380-L383 VanDerWaalsContact O-N 3.17Å; L383-L386 PolarHBondContact O-N 2.88Å; L383-R387 WeakPolarHBondContact O-CB 3.24Å; L383-R387 WeakPolarHBondContact O-CD 3.48Å; L383-R387 WeakPolarHBondContact O-CG 3.4Å; L383-R387 PolarHBondContact O-N 2.98Å
384Y89.1Confident89.4Confident73 Ų7347.4 Ų47.429%0.28628%0.276SS..Hα-helixtrans-58.8-51.2175.3-172.5-82.5000110.5L333 D380 K382 L386 R387 D388L333-Y384 HydrophobicContact CD2-CE1 4.26Å; D380-Y384 VanDerWaalsContact O-CB 3.22Å; D380-Y384 WeakPolarHBondContact O-CB 3.04Å; D380-Y384 PolarHBondContact O-N 2.81Å; K382-Y384 VanDerWaalsContact C-N 3.35Å; K382-Y384 PolarHBondContact O-N 2.85Å; Y384-L386 VanDerWaalsContact C-N 3.29Å; Y384-L386 PolarHBondContact O-N 3.41Å; Y384-R387 PolarHBondContact O-N 3.33Å; Y384-D388 WeakPolarHBondContact CE1-OD2 3.47Å; Y384-D388 PolarHBondContact O-N 2.94Å; Y384-D388 VanDerWaalsContact O-N 3.14Å
385A88.9Confident90.7Very high47 Ų4744.8 Ų44.839%0.38825%0.248SC..Hα-helixtrans-61.7-36.3177.600000112.9K381 K382K381-A385 PolarHBondContact O-N 3.17Å; K382-A385 PolarHBondContact O-N 2.74Å
386L94.2Very high91.1Very high13 Ų1341 Ų417%0.06823%0.228CC..Hα-helixtrans-69.6-43176.2-171.460000111.7D254 M257 L261 K382 L383 Y384 D388 V389 T390D254-L386 HydrophobicContact CB-CD1 4Å; D254-L386 HydrophobicContact CB-CD2 4.4Å; M257-L386 HydrophobicContact CB-CD2 3.75Å; M257-L386 HydrophobicContact CG-CD2 3.96Å; L261-L386 HydrophobicContact CD1-CB 4.46Å; L261-L386 HydrophobicContact CD1-CD2 3.81Å; L261-L386 HydrophobicContact CD1-CG 4.07Å; K382-L386 PolarHBondContact O-N 2.88Å; L383-L386 PolarHBondContact O-N 2.88Å; Y384-L386 VanDerWaalsContact C-N 3.29Å; Y384-L386 PolarHBondContact O-N 3.41Å; L386-D388 VanDerWaalsContact C-N 3.28Å; L386-D388 PolarHBondContact O-N 3.11Å; L386-V389 HydrophobicContact CD1-CG2 4.3Å; L386-V389 VanDerWaalsContact O-CG2 3.26Å; L386-V389 WeakPolarHBondContact O-CG2 3.32Å; L386-V389 PolarHBondContact O-N 3.22Å; L386-V389 VanDerWaalsContact O-N 3.09Å; L386-T390 HydrophobicContact CD1-CG2 3.97Å; L386-T390 HydrophobicContact CG-CG2 4.17Å; L386-T390 WeakPolarHBondContact O-CG2 3.41Å; L386-T390 PolarHBondContact O-N 2.83Å; L386-T390 VanDerWaalsContact O-N 3.11Å; L386-T390 PolarHBondContact O-OG1 3.34Å
387R93.9Very high91.6Very high10 Ų1040.3 Ų40.34%0.03822%0.224CC..Hα-helixtrans-59.3-39179.6-75.3165.365-153.7-2.7112.3L261 L383 Y384 V389 T390 A391 T392 V393 L398 I399L261-R387 HydrophobicContact CD1-CG 4.04Å; L261-R387 HydrophobicContact CD2-CG 4.36Å; L383-R387 WeakPolarHBondContact O-CB 3.24Å; L383-R387 WeakPolarHBondContact O-CD 3.48Å; L383-R387 WeakPolarHBondContact O-CG 3.4Å; L383-R387 PolarHBondContact O-N 2.98Å; Y384-R387 PolarHBondContact O-N 3.33Å; R387-V389 PolarHBondContact O-N 3.09Å; R387-T390 PolarHBondContact O-N 3.22Å; R387-A391 PolarHBondContact O-N 3.31Å; R387-T392 WeakPolarHBondContact CA-OG1 3.15Å; R387-T392 WeakPolarHBondContact CG-OG1 3.27Å; R387-T392 PolarHBondContact NE-O 3.34Å; R387-T392 PolarHBondContact O-N 2.71Å; R387-V393 HydrophobicContact CB-CG2 4.2Å; R387-V393 PolarHBondContact NH2-O 3.02Å; R387-L398 PolarHBondContact NH1-O 2.83Å; R387-I399 VanDerWaalsContact NH2-CG1 3.34Å
388D85.1Confident91.8Very high75 Ų7540.8 Ų40.840%0.40123%0.226SC..Hα-helixtrans-57.5-32.7177.2-71-16.8000112.4Y384 L386Y384-D388 WeakPolarHBondContact CE1-OD2 3.47Å; Y384-D388 PolarHBondContact O-N 2.94Å; Y384-D388 VanDerWaalsContact O-N 3.14Å; L386-D388 VanDerWaalsContact C-N 3.28Å; L386-D388 PolarHBondContact O-N 3.11Å
389V91.4Very high91.9Very high118 Ų11840.7 Ų40.772%0.71523%0.225SC*.Hα-helixtrans-104-0.1-178-57.90000113.9L386 R387L386-V389 HydrophobicContact CD1-CG2 4.3Å; L386-V389 VanDerWaalsContact O-CG2 3.26Å; L386-V389 WeakPolarHBondContact O-CG2 3.32Å; L386-V389 PolarHBondContact O-N 3.22Å; L386-V389 VanDerWaalsContact O-N 3.09Å; R387-V389 PolarHBondContact O-N 3.09Å
390T94.1Very high91.9Very high29 Ų2940.7 Ų40.718%0.17823%0.225CC..Hα-helixtrans-118.68.7-179.761.30000114.6L386 R387 T392L386-T390 HydrophobicContact CD1-CG2 3.97Å; L386-T390 HydrophobicContact CG-CG2 4.17Å; L386-T390 WeakPolarHBondContact O-CG2 3.41Å; L386-T390 PolarHBondContact O-N 2.83Å; L386-T390 VanDerWaalsContact O-N 3.11Å; L386-T390 PolarHBondContact O-OG1 3.34Å; R387-T390 PolarHBondContact O-N 3.22Å; T390-T392 VanDerWaalsContact C-N 3.26Å; T390-T392 PolarHBondContact O-N 3.25Å; T390-T392 PolarHBondContact OG1-OG1 2.96Å
391A91.2Very high92Very high79 Ų7940.4 Ų40.465%0.65322%0.223SC*.THydrogen-bonded Turntrans55.838.5-178.800000113.4R387R387-A391 PolarHBondContact O-N 3.31Å
392T93.5Very high92.3Very high0 Ų033.7 Ų33.70%020%0.195CC..  trans-118.618.6178.551.30000112.1L261 M262 F265 R387 T390L261-T392 HydrophobicContact CB-CG2 4.04Å; M262-T392 HydrophobicContact CE-CG2 3.84Å; F265-T392 HydrophobicContact CB-CG2 4.31Å; R387-T392 WeakPolarHBondContact CA-OG1 3.15Å; R387-T392 WeakPolarHBondContact CG-OG1 3.27Å; R387-T392 PolarHBondContact NE-O 3.34Å; R387-T392 PolarHBondContact O-N 2.71Å; T390-T392 VanDerWaalsContact C-N 3.26Å; T390-T392 PolarHBondContact O-N 3.25Å; T390-T392 PolarHBondContact OG1-OG1 2.96Å
393V86.3Confident92.3Very high27 Ų2730.5 Ų30.516%0.16418%0.181CC..THydrogen-bonded Turntrans-62.5-46174177.40000110.1R387 S395 I399 F426R387-V393 HydrophobicContact CB-CG2 4.2Å; R387-V393 PolarHBondContact NH2-O 3.02Å; V393-S395 PolarHBondContact O-N 2.86Å; V393-I399 WeakPolarHBondContact O-CD1 3.27Å; V393-I399 VanDerWaalsContact O-CG1 3.22Å; V393-I399 WeakPolarHBondContact O-CG1 3.21Å; V393-F426 HydrophobicContact CG1-CD1 4.16Å; V393-F426 HydrophobicContact CG1-CE1 3.99Å
394D85.2Confident92.3Very high103 Ų10330.2 Ų30.255%0.55118%0.18SC*.THydrogen-bonded Turntrans-76.615-170.4-54.6-23.8000115.3F265 I396F265-D394 HydrophobicContact CE2-CB 4.37Å; D394-I396 PolarHBondContact O-N 3.35Å
395S93.2Very high92.6Very high8 Ų826.8 Ų26.86%0.05617%0.166CC..  trans-83.5112.3175.2176.80000110.8V393 L398 I399V393-S395 PolarHBondContact O-N 2.86Å; S395-L398 PolarHBondContact O-N 3.23Å; S395-I399 WeakPolarHBondContact O-CG1 3.33Å; S395-I399 PolarHBondContact O-N 2.86Å
396I93.3Very high92.7Very high9 Ų926.2 Ų26.25%0.04616%0.155CC..Hα-helixtrans-51.9-48.6178.2-68.5171.1000112.8D394 L398 I399 A400 M427 D432 R435 L436D394-I396 PolarHBondContact O-N 3.35Å; I396-L398 VanDerWaalsContact C-N 3.3Å; I396-L398 PolarHBondContact O-N 2.92Å; I396-I399 PolarHBondContact O-N 3.4Å; I396-A400 VanDerWaalsContact O-CB 3.31Å; I396-A400 WeakPolarHBondContact O-CB 3.41Å; I396-A400 PolarHBondContact O-N 3.29Å; I396-M427 HydrophobicContact CD1-SD 4.44Å; I396-M427 HydrophobicContact CG1-SD 4.11Å; I396-D432 HydrophobicContact CD1-CB 4.01Å; I396-R435 HydrophobicContact CD1-CB 4.18Å; I396-R435 HydrophobicContact CD1-CG 4.14Å; I396-R435 HydrophobicContact CG2-CG 4.33Å; I396-L436 HydrophobicContact CG2-CB 4.13Å; I396-L436 HydrophobicContact CG2-CD1 4.14Å
397P96.1Very high92.7Very high2 Ų225.7 Ų25.71%0.01315%0.152CC..Hα-helixtrans-51.1-45172.6-31.936.5000114.3D268 M269 I274 S401D268-P397 WeakPolarHBondContact OD1-CG 2.98Å; M269-P397 HydrophobicContact CB-CB 4.03Å; M269-P397 HydrophobicContact CB-CG 4.15Å; M269-P397 HydrophobicContact CG-CB 4.19Å; M269-P397 HydrophobicContact SD-CB 4.02Å; I274-P397 HydrophobicContact CD1-CB 4.02Å; I274-P397 HydrophobicContact CD1-CG 4.09Å; I274-P397 HydrophobicContact CG1-CB 3.95Å; I274-P397 HydrophobicContact CG1-CG 4.47Å; P397-S401 VanDerWaalsContact O-CB 3.31Å; P397-S401 WeakPolarHBondContact O-CB 3.39Å; P397-S401 PolarHBondContact O-N 3.32Å; P397-S401 PolarHBondContact O-OG 2.68Å
398L95.6Very high92.7Very high10 Ų1025.7 Ų25.75%0.05215%0.153CC..Hα-helixtrans-75.9-36.3-177-61.3177.7000112L261 I264 L277 R387 S395 I396 S402L261-L398 HydrophobicContact CD2-CD1 3.56Å; L261-L398 HydrophobicContact CD2-CD2 3.92Å; L261-L398 HydrophobicContact CD2-CG 4.42Å; I264-L398 HydrophobicContact CD1-CD2 4.3Å; I264-L398 HydrophobicContact CG2-CD1 4.28Å; I264-L398 HydrophobicContact CG2-CD2 4.08Å; I264-L398 HydrophobicContact CG2-CG 4.01Å; L277-L398 HydrophobicContact CD2-CD2 3.99Å; R387-L398 PolarHBondContact NH1-O 2.83Å; S395-L398 PolarHBondContact O-N 3.23Å; I396-L398 VanDerWaalsContact C-N 3.3Å; I396-L398 PolarHBondContact O-N 2.92Å; L398-S402 WeakPolarHBondContact O-CB 3.31Å; L398-S402 PolarHBondContact O-N 2.85Å
399I92.8Very high93.1Very high14 Ų1422.1 Ų22.17%0.07213%0.134CC..Hα-helixtrans-62.3-52.1172.8-65.2168.9000109.6R387 V393 S395 I396 S401 S402 I403 M427 L436R387-I399 VanDerWaalsContact NH2-CG1 3.34Å; V393-I399 WeakPolarHBondContact O-CD1 3.27Å; V393-I399 VanDerWaalsContact O-CG1 3.22Å; V393-I399 WeakPolarHBondContact O-CG1 3.21Å; S395-I399 WeakPolarHBondContact O-CG1 3.33Å; S395-I399 PolarHBondContact O-N 2.86Å; I396-I399 PolarHBondContact O-N 3.4Å; I399-S401 PolarHBondContact O-N 3.01Å; I399-S402 PolarHBondContact O-N 3.27Å; I399-I403 HydrophobicContact CG2-CD1 3.8Å; I399-I403 WeakPolarHBondContact O-CG1 3.26Å; I399-I403 PolarHBondContact O-N 3.4Å; I399-M427 HydrophobicContact CD1-CE 3.52Å; I399-L436 HydrophobicContact CB-CD1 4.2Å; I399-L436 HydrophobicContact CG2-CD1 3.84Å; I399-L436 HydrophobicContact CG2-CD2 3.91Å
400A95.3Very high93.1Very high0 Ų016.7 Ų16.70%010%0.101CC..Hα-helixtrans-59.3-47.2-179.200000111.4I396 S402 I403 M404 L436 T439 M440 I443I396-A400 VanDerWaalsContact O-CB 3.31Å; I396-A400 WeakPolarHBondContact O-CB 3.41Å; I396-A400 PolarHBondContact O-N 3.29Å; A400-S402 PolarHBondContact O-N 3.03Å; A400-I403 PolarHBondContact O-N 3.43Å; A400-M404 VanDerWaalsContact O-CB 3.28Å; A400-M404 WeakPolarHBondContact O-CB 3.41Å; A400-M404 VanDerWaalsContact O-CG 3.31Å; A400-M404 WeakPolarHBondContact O-CG 3.02Å; A400-M404 PolarHBondContact O-N 3.3Å; A400-L436 HydrophobicContact CB-CD1 3.87Å; A400-T439 HydrophobicContact CB-CG2 3.6Å; A400-M440 HydrophobicContact CB-CG 3.7Å; A400-I443 HydrophobicContact CB-CD1 3.76Å
401S96.7Very high93Very high0 Ų015.7 Ų15.70%010%0.097CC..Hα-helixtrans-66.7-38.6-180-50.30000112.1T278 M281 P397 I399 S405T278-S401 VanDerWaalsContact OG1-CA 3.28Å; T278-S401 WeakPolarHBondContact OG1-CA 3.22Å; T278-S401 VanDerWaalsContact OG1-CB 3.31Å; T278-S401 WeakPolarHBondContact OG1-CB 3.25Å; T278-S401 PolarHBondContact OG1-OG 3.01Å; M281-S401 VanDerWaalsContact CE-O 3.3Å; M281-S401 WeakPolarHBondContact CE-O 3.44Å; P397-S401 VanDerWaalsContact O-CB 3.31Å; P397-S401 WeakPolarHBondContact O-CB 3.39Å; P397-S401 PolarHBondContact O-N 3.32Å; P397-S401 PolarHBondContact O-OG 2.68Å; I399-S401 PolarHBondContact O-N 3.01Å; S401-S405 WeakPolarHBondContact O-CB 3.36Å; S401-S405 PolarHBondContact O-N 3.49Å; S401-S405 PolarHBondContact O-OG 2.86Å
402S94.2Very high93Very high4 Ų412 Ų123%0.0287%0.067CC..Hα-helixtrans-62.6-46.9177.2177.40000112.5D380 L398 I399 A400 S405 K406D380-S402 WeakPolarHBondContact OD1-CA 3.35Å; D380-S402 WeakPolarHBondContact OD1-CB 3.34Å; D380-S402 PolarHBondContact OD1-OG 3.17Å; D380-S402 PolarHBondContact OD2-OG 2.87Å; L398-S402 WeakPolarHBondContact O-CB 3.31Å; L398-S402 PolarHBondContact O-N 2.85Å; I399-S402 PolarHBondContact O-N 3.27Å; A400-S402 PolarHBondContact O-N 3.03Å; S402-S405 PolarHBondContact O-OG 2.94Å; S402-S405 VanDerWaalsContact O-OG 3.12Å; S402-K406 VanDerWaalsContact O-CE 3.23Å; S402-K406 WeakPolarHBondContact O-CE 3.32Å; S402-K406 PolarHBondContact O-NZ 2.77Å; S402-K406 PolarHBondContact OG-NZ 2.66Å
403I92.7Very high93.1Very high14 Ų1414.9 Ų14.97%0.0728%0.082CC..Hα-helixtrans-67.8-52179.8-71.1171.3000110.2H301 T303 I399 A400 S405 K406 K407 L417 M440H301-I403 HydrophobicContact CB-CG2 4.45Å; H301-I403 WeakPolarHBondContact CD2-CG2 3.38Å; T303-I403 HydrophobicContact CG2-CD1 3.83Å; I399-I403 HydrophobicContact CG2-CD1 3.8Å; I399-I403 WeakPolarHBondContact O-CG1 3.26Å; I399-I403 PolarHBondContact O-N 3.4Å; A400-I403 PolarHBondContact O-N 3.43Å; I403-S405 PolarHBondContact O-N 3.37Å; I403-K406 PolarHBondContact O-N 2.82Å; I403-K407 WeakPolarHBondContact O-CG 3.36Å; I403-K407 PolarHBondContact O-N 3.08Å; I403-L417 HydrophobicContact CG2-CD2 4.34Å; I403-M440 HydrophobicContact CB-SD 4.22Å; I403-M440 HydrophobicContact CD1-SD 4.14Å; I403-M440 HydrophobicContact CG2-SD 3.99Å
404M95.3Very high93.6Very high0 Ų013.6 Ų13.60%07%0.074CC..Hα-helixtrans-69.7-35.1-172.3-69.4-57.1-64.200112.6T278 A400 K406 K407 I408 I415 L417 M440 I443 T451T278-M404 HydrophobicContact CG2-CB 3.76Å; A400-M404 VanDerWaalsContact O-CB 3.28Å; A400-M404 WeakPolarHBondContact O-CB 3.41Å; A400-M404 VanDerWaalsContact O-CG 3.31Å; A400-M404 WeakPolarHBondContact O-CG 3.02Å; A400-M404 PolarHBondContact O-N 3.3Å; M404-K406 PolarHBondContact O-N 3.32Å; M404-K407 PolarHBondContact O-N 2.99Å; M404-K407 VanDerWaalsContact O-N 3.16Å; M404-I408 HydrophobicContact CB-CD1 4.34Å; M404-I408 WeakPolarHBondContact O-CB 3.42Å; M404-I408 WeakPolarHBondContact O-CD1 3.44Å; M404-I408 VanDerWaalsContact O-CG1 3.23Å; M404-I408 WeakPolarHBondContact O-CG1 3.44Å; M404-I408 PolarHBondContact O-N 3.36Å; M404-I415 HydrophobicContact CE-CD1 3.96Å; M404-L417 HydrophobicContact SD-CD1 4Å; M404-L417 HydrophobicContact SD-CD2 4.1Å; M404-M440 HydrophobicContact CG-CB 3.95Å; M404-M440 HydrophobicContact CG-CG 3.92Å; M404-M440 HydrophobicContact SD-CB 4.02Å; M404-M440 HydrophobicContact SD-CG 4.42Å; M404-I443 HydrophobicContact CB-CB 4.43Å; M404-I443 HydrophobicContact CB-CD1 4.35Å; M404-I443 HydrophobicContact CB-CG2 3.64Å; M404-I443 HydrophobicContact CE-CG2 4.37Å; M404-I443 HydrophobicContact CG-CB 4.22Å; M404-I443 HydrophobicContact CG-CD1 4.11Å; M404-I443 HydrophobicContact CG-CG2 3.95Å; M404-T451 HydrophobicContact CE-CG2 4.34Å
405S95.6Very high94.1Very high0 Ų08.7 Ų8.70%05%0.048CC..Hα-helixtrans-59.7-45.6178.156.10000111.8T278 S401 S402 I403 K407 I408 A409T278-S405 WeakPolarHBondContact O-CB 3.29Å; S401-S405 WeakPolarHBondContact O-CB 3.36Å; S401-S405 PolarHBondContact O-N 3.49Å; S401-S405 PolarHBondContact O-OG 2.86Å; S402-S405 PolarHBondContact O-OG 2.94Å; S402-S405 VanDerWaalsContact O-OG 3.12Å; I403-S405 PolarHBondContact O-N 3.37Å; S405-K407 PolarHBondContact O-N 3.37Å; S405-I408 PolarHBondContact O-N 2.99Å; S405-A409 VanDerWaalsContact O-CB 3.28Å; S405-A409 WeakPolarHBondContact O-CB 3.25Å; S405-A409 PolarHBondContact O-N 2.76Å
406K92Very high94.3Very high35 Ų358.4 Ų8.415%0.1525%0.046CC..Hα-helixtrans-62.4-39.6174.4-71.3-177.5-69.9-108.60112.7A377 D380 S402 I403 M404 A410A377-K406 HydrophobicContact CB-CG 4.36Å; D380-K406 IonicContact OD1-NZ 2.59Å; D380-K406 WeakPolarHBondContact OD2-CD 3.44Å; D380-K406 IonicContact OD2-NZ 3.92Å; D380-K406 PolarHBondContact OD2-NZ 2.89Å; S402-K406 VanDerWaalsContact O-CE 3.23Å; S402-K406 WeakPolarHBondContact O-CE 3.32Å; S402-K406 PolarHBondContact O-NZ 2.77Å; S402-K406 PolarHBondContact OG-NZ 2.66Å; I403-K406 PolarHBondContact O-N 2.82Å; M404-K406 PolarHBondContact O-N 3.32Å; K406-A410 WeakPolarHBondContact O-CB 3.26Å; K406-A410 PolarHBondContact O-N 3Å
407K93Very high94.5Very high2 Ų28 Ų81%0.0094%0.044CC..Hα-helixtrans-72.5-37.7-179.4-69.3-58.998.7-160.20112.5D299 H301 M328 I403 M404 S405 A410 I415D299-K407 VanDerWaalsContact OD2-CD 3.32Å; D299-K407 WeakPolarHBondContact OD2-CD 3.26Å; D299-K407 IonicContact OD2-NZ 2.77Å; D299-K407 PolarHBondContact OD2-NZ 3.38Å; H301-K407 HydrophobicContact CB-CD 4.15Å; H301-K407 HydrophobicContact CB-CG 4.25Å; M328-K407 PolarHBondContact O-NZ 2.96Å; I403-K407 WeakPolarHBondContact O-CG 3.36Å; I403-K407 PolarHBondContact O-N 3.08Å; M404-K407 PolarHBondContact O-N 2.99Å; M404-K407 VanDerWaalsContact O-N 3.16Å; S405-K407 PolarHBondContact O-N 3.37Å; K407-A410 PolarHBondContact O-N 3.5Å; K407-I415 HydrophobicContact CB-CD1 3.86Å
408I94.1Very high94.4Very high11 Ų118 Ų86%0.0564%0.044CC..Hα-helixtrans-65.8-46173.5-68.3161.1000110.2T278 A282 M404 S405 A410 G411 I443 A447T278-I408 HydrophobicContact CG2-CD1 3.88Å; A282-I408 HydrophobicContact CB-CB 4.34Å; A282-I408 HydrophobicContact CB-CG2 4.13Å; M404-I408 HydrophobicContact CB-CD1 4.34Å; M404-I408 WeakPolarHBondContact O-CB 3.42Å; M404-I408 WeakPolarHBondContact O-CD1 3.44Å; M404-I408 VanDerWaalsContact O-CG1 3.23Å; M404-I408 WeakPolarHBondContact O-CG1 3.44Å; M404-I408 PolarHBondContact O-N 3.36Å; S405-I408 PolarHBondContact O-N 2.99Å; I408-A410 PolarHBondContact O-N 2.83Å; I408-G411 PolarHBondContact O-N 2.71Å; I408-G411 VanDerWaalsContact O-N 3.08Å; I408-I443 HydrophobicContact CD1-CG2 4.14Å; I408-A447 HydrophobicContact CD1-CB 3.47Å; I408-A447 VanDerWaalsContact CD1-CB 3.47Å; I408-A447 HydrophobicContact CG1-CB 3.96Å
409A93.1Very high94.4Very high0 Ų07.6 Ų7.60%04%0.041CC..Hα-helixtrans-63.5-29177.400000113.2I287 I288 L376 S405 G411I287-A409 HydrophobicContact CD1-CB 3.95Å; I288-A409 PolarHBondContact N-O 3.46Å; L376-A409 HydrophobicContact CB-CB 4.47Å; L376-A409 HydrophobicContact CD2-CB 4.48Å; S405-A409 VanDerWaalsContact O-CB 3.28Å; S405-A409 WeakPolarHBondContact O-CB 3.25Å; S405-A409 PolarHBondContact O-N 2.76Å; A409-G411 PolarHBondContact O-N 3.3Å
410A91.6Very high94.3Very high3 Ų36.9 Ų6.93%0.0254%0.038CC..THydrogen-bonded Turntrans-73.5-7174.700000114.2L290 M328 K406 K407 I408 A412L290-A410 VanDerWaalsContact CD1-O 3.3Å; L290-A410 WeakPolarHBondContact CD1-O 3.45Å; M328-A410 HydrophobicContact CB-CB 4.4Å; M328-A410 HydrophobicContact SD-CB 3.82Å; K406-A410 WeakPolarHBondContact O-CB 3.26Å; K406-A410 PolarHBondContact O-N 3Å; K407-A410 PolarHBondContact O-N 3.5Å; I408-A410 PolarHBondContact O-N 2.83Å; A410-A412 PolarHBondContact O-N 2.89Å
411G91.3Very high94.2Very high9 Ų97.2 Ų7.29%0.0934%0.04CC..THydrogen-bonded Turntrans81.34.916700000117.1I288 I408 A409I288-G411 WeakPolarHBondContact O-CA 3.43Å; I408-G411 PolarHBondContact O-N 2.71Å; I408-G411 VanDerWaalsContact O-N 3.08Å; A409-G411 PolarHBondContact O-N 3.3Å
412A92Very high93.8Very high1 Ų17.6 Ų7.61%0.0084%0.044CC..  trans-63.2143.6177.200000111.8D299 A410 R449D299-A412 HydrophobicContact CB-CB 3.87Å; A410-A412 PolarHBondContact O-N 2.89Å; A412-R449 WeakPolarHBondContact O-CD 3.28Å; A412-R449 PolarHBondContact O-NE 2.98Å
413D95.5Very high93Very high60 Ų6012.6 Ų12.632%0.3217%0.067SC..SBendtrans-78-37.6179-63.3-54.1000111.3V296 K297 Q450V296-D413 WeakPolarHBondContact CA-OD2 3.38Å; V296-D413 HydrophobicContact CG1-CB 3.72Å; K297-D413 VanDerWaalsContact CD-OD2 3.26Å; K297-D413 WeakPolarHBondContact CD-OD2 3.28Å; K297-D413 WeakPolarHBondContact CE-OD2 3.29Å; K297-D413 PolarHBondContact N-OD2 3.32Å; K297-D413 IonicContact NZ-OD2 3.36Å; K297-D413 PolarHBondContact NZ-OD2 3.07Å; K297-D413 PolarHBondContact O-N 3.25Å; D413-Q450 PolarHBondContact O-N 3.26Å; D413-Q450 VanDerWaalsContact O-N 3.13Å
414A96.5Very high92.2Very high1 Ų112 Ų121%0.0086%0.064CC..EExtended strand (participates in β ladder)trans-130.2137.5-177.300000111.6V296 K297 V298 D299 Q450 L501V296-A414 HydrophobicContact CG1-CB 4.22Å; K297-A414 PolarHBondContact O-N 3.17Å; V298-A414 WeakPolarHBondContact CA-O 3.29Å; V298-A414 HydrophobicContact CG1-CB 3.95Å; D299-A414 PolarHBondContact N-O 3.42Å; A414-Q450 CarbonylContact C-O 3.44Å; A414-Q450 VanDerWaalsContact CA-O 3.23Å; A414-Q450 WeakPolarHBondContact CA-O 3.37Å; A414-Q450 HydrophobicContact CB-CB 4.12Å; A414-L501 HydrophobicContact CB-CB 3.78Å; A414-L501 HydrophobicContact CB-CD1 4.16Å
415I96.5Very high91.3Very high0 Ų012.2 Ų12.20%07%0.066CC..EExtended strand (participates in β ladder)trans-128124.2-174.5-57.4163.5000109.1D299 M404 K407 L417 R449 Q450 T451 M452D299-I415 WeakPolarHBondContact O-CA 3.26Å; M404-I415 HydrophobicContact CE-CD1 3.96Å; K407-I415 HydrophobicContact CB-CD1 3.86Å; I415-L417 HydrophobicContact CG2-CD2 3.71Å; I415-L417 HydrophobicContact CG2-CG 4.07Å; I415-R449 HydrophobicContact CD1-CB 4.23Å; I415-R449 HydrophobicContact CD1-CG 4.4Å; I415-Q450 PolarHBondContact N-O 3.48Å; I415-T451 HydrophobicContact CB-CG2 4.33Å; I415-T451 VanDerWaalsContact O-CA 3.28Å; I415-T451 WeakPolarHBondContact O-CA 3.37Å; I415-M452 PolarHBondContact O-N 2.84Å
416V97.5Very high90.3Very high1 Ų116.2 Ų16.21%0.0068%0.083CC..EExtended strand (participates in β ladder)trans-105.3127169.3179.50000109.2D299 K300 H301 M452 L494 Q497 M498 L501D299-V416 PolarHBondContact O-N 2.93Å; K300-V416 CarbonylContact C-O 3.57Å; K300-V416 VanDerWaalsContact CA-O 3.22Å; K300-V416 WeakPolarHBondContact CA-O 3.36Å; H301-V416 PolarHBondContact N-O 2.88Å; V416-M452 CarbonylContact C-O 3.59Å; V416-M452 WeakPolarHBondContact CA-O 3.33Å; V416-L494 HydrophobicContact CG1-CD2 3.7Å; V416-Q497 HydrophobicContact CG1-CB 4.07Å; V416-Q497 HydrophobicContact CG1-CG 4.44Å; V416-Q497 HydrophobicContact CG2-CB 3.78Å; V416-M498 HydrophobicContact CB-CG 3.95Å; V416-M498 HydrophobicContact CG2-CB 4.33Å; V416-M498 HydrophobicContact CG2-CG 3.47Å; V416-M498 VanDerWaalsContact CG2-CG 3.47Å; V416-L501 HydrophobicContact CG2-CD1 3.84Å
417L96.6Very high89.9Confident2 Ų214.9 Ų14.91%0.018%0.078CC..EExtended strand (participates in β ladder)trans-107.6129.5-176.8-58.6167000109.3H301 I403 M404 I415 V419 M440 T451 M452 A453 V454H301-L417 HydrophobicContact CB-CD2 3.93Å; H301-L417 CarbonylContact O-C 3.54Å; H301-L417 WeakPolarHBondContact O-CA 3.33Å; I403-L417 HydrophobicContact CG2-CD2 4.34Å; M404-L417 HydrophobicContact SD-CD1 4Å; M404-L417 HydrophobicContact SD-CD2 4.1Å; I415-L417 HydrophobicContact CG2-CD2 3.71Å; I415-L417 HydrophobicContact CG2-CG 4.07Å; L417-V419 HydrophobicContact CB-CG2 4.33Å; L417-M440 HydrophobicContact CB-CE 4.41Å; L417-M440 HydrophobicContact CD1-CB 3.34Å; L417-M440 HydrophobicContact CD1-CE 3.99Å; L417-M440 HydrophobicContact CD1-CG 4.28Å; L417-M440 HydrophobicContact CD1-SD 4.09Å; L417-M440 HydrophobicContact CD2-SD 4.45Å; L417-T451 HydrophobicContact CD1-CG2 3.58Å; L417-T451 HydrophobicContact CG-CG2 4.16Å; L417-M452 PolarHBondContact N-O 2.81Å; L417-A453 HydrophobicContact CB-CB 3.98Å; L417-A453 HydrophobicContact CD1-CB 4.48Å; L417-A453 CarbonylContact O-C 3.59Å; L417-A453 VanDerWaalsContact O-CA 3.28Å; L417-A453 WeakPolarHBondContact O-CA 3.2Å; L417-V454 PolarHBondContact O-N 3.1Å
418D95.4Very high89.4Confident2 Ų220.3 Ų20.31%0.01110%0.101CC..EExtended strand (participates in β ladder)trans-103.6101171.9168.230.1000107.2K300 H301 S302 T303 S456 L494K300-D418 WeakPolarHBondContact CE-OD2 3.08Å; K300-D418 IonicContact NZ-OD2 3.68Å; K300-D418 PolarHBondContact NZ-OD2 3.06Å; H301-D418 PolarHBondContact O-N 3.17Å; S302-D418 CarbonylContact C-O 3.56Å; S302-D418 VanDerWaalsContact CA-O 3.29Å; S302-D418 WeakPolarHBondContact CA-O 3.28Å; S302-D418 WeakPolarHBondContact CB-OD2 3.39Å; S302-D418 PolarHBondContact OG-OD2 3.24Å; T303-D418 PolarHBondContact N-O 3.4Å; T303-D418 PolarHBondContact OG1-O 3.41Å; D418-S456 WeakPolarHBondContact OD1-CB 3.37Å; D418-S456 PolarHBondContact OD1-OG 2.85Å; D418-L494 HydrophobicContact CB-CD1 4.34Å; D418-L494 HydrophobicContact CB-CD2 4.09Å
419V94.7Very high89.2Confident0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-97.798.1-176.2-174.50000108.1T303 L417 A433 L436 A437 M440 A453 V454 I455 S456T303-V419 HydrophobicContact CG2-CG1 4.35Å; L417-V419 HydrophobicContact CB-CG2 4.33Å; V419-A433 HydrophobicContact CG1-CB 4.17Å; V419-L436 HydrophobicContact CG1-CB 4.47Å; V419-L436 HydrophobicContact CG1-CD2 4.07Å; V419-L436 HydrophobicContact CG1-CG 4.29Å; V419-A437 HydrophobicContact CB-CB 4.41Å; V419-A437 HydrophobicContact CG2-CB 3.96Å; V419-M440 HydrophobicContact CG2-CE 3.39Å; V419-A453 HydrophobicContact CG2-CB 4.23Å; V419-V454 PolarHBondContact N-O 3.18Å; V419-I455 HydrophobicContact CB-CG1 4.47Å; V419-I455 VanDerWaalsContact O-CA 3.29Å; V419-I455 WeakPolarHBondContact O-CA 3.48Å; V419-I455 WeakPolarHBondContact O-CG2 3.17Å; V419-S456 PolarHBondContact O-N 3.36Å
420T91.4Very high89.1Confident0 Ų025.6 Ų25.60%013%0.129CC..EExtended strand (participates in β ladder)trans-75.8142.8-176.954.80000111.4T303 G304 A425 S456 M458T303-T420 PolarHBondContact OG1-N 3.22Å; T303-T420 PolarHBondContact OG1-OG1 2.91Å; G304-T420 WeakPolarHBondContact O-CB 3.29Å; G304-T420 VanDerWaalsContact O-CG2 3.31Å; G304-T420 WeakPolarHBondContact O-CG2 3.38Å; G304-T420 PolarHBondContact O-OG1 3.09Å; T420-A425 WeakPolarHBondContact O-CB 3.13Å; T420-A425 WeakPolarHBondContact OG1-CB 3.25Å; T420-S456 CarbonylContact C-O 3.53Å; T420-S456 WeakPolarHBondContact CA-O 3.42Å; T420-S456 WeakPolarHBondContact CG2-OG 3.45Å; T420-M458 HydrophobicContact CG2-CB 4.31Å; T420-M458 HydrophobicContact CG2-CE 3.79Å
421T92.5Very high89.2Confident6 Ų631 Ų314%0.03716%0.158CC..EExtended strand (participates in β ladder)trans-134.1149.7171.7-1660000111.6M427 N429 I430 I455 S456 M458T421-M427 VanDerWaalsContact CA-O 3.22Å; T421-M427 WeakPolarHBondContact CA-O 3.48Å; T421-M427 PolarHBondContact OG1-O 2.87Å; T421-N429 PolarHBondContact OG1-O 3.12Å; T421-I430 HydrophobicContact CG2-CD1 4.19Å; T421-I455 HydrophobicContact CG2-CG2 4.24Å; T421-S456 PolarHBondContact N-O 2.91Å; T421-M458 PolarHBondContact O-N 2.61Å
422G87.6Confident89.2Confident8 Ų833.4 Ų33.48%0.08217%0.169CC..SBendtrans120.5-172.1-179.100000113.4G424 A425 M427 K428G422-G424 VanDerWaalsContact C-N 3.28Å; G422-G424 PolarHBondContact O-N 3.4Å; G422-A425 PolarHBondContact O-N 2.93Å; G422-M427 PolarHBondContact N-O 2.9Å; G422-M427 VanDerWaalsContact N-O 3.15Å; G422-K428 WeakPolarHBondContact O-CD 3.48Å
423E79Confident89.3Confident109 Ų10933.4 Ų33.451%0.50917%0.168SC..THydrogen-bonded Turntrans-62.1-32.6-173.1-69.6-58.6151.300113.3K428 V569E423-K428 PolarHBondContact O-NZ 3.28Å; E423-V569 HydrophobicContact CB-CG1 4.19Å
424G74.4Confident89.3Confident1 Ų133.4 Ų33.41%0.0117%0.165CC..THydrogen-bonded Turntrans-84.31.3174.800000115.8G422 M458G422-G424 VanDerWaalsContact C-N 3.28Å; G422-G424 PolarHBondContact O-N 3.4Å; G424-M458 WeakPolarHBondContact CA-O 3.38Å; G424-M458 PolarHBondContact N-O 3.04Å
425A77Confident89.2Confident5 Ų537.8 Ų37.84%0.04118%0.182CC..SBendtrans-110.4164.4-177.900000113T420 G422 K428 M458T420-A425 WeakPolarHBondContact O-CB 3.13Å; T420-A425 WeakPolarHBondContact OG1-CB 3.25Å; G422-A425 PolarHBondContact O-N 2.93Å; A425-K428 WeakPolarHBondContact O-CE 3.4Å; A425-K428 PolarHBondContact O-NZ 3.43Å; A425-M458 HydrophobicContact CB-CB 4.2Å
426F73.8Confident89.1Confident84 Ų8437.8 Ų37.837%0.36818%0.182SC..SBendtrans-65.1-40.5168.6-70.8-78.5000111.6T303 V393 K428T303-F426 WeakPolarHBondContact O-CD2 3.41Å; T303-F426 WeakPolarHBondContact O-CE2 3.36Å; V393-F426 HydrophobicContact CG1-CD1 4.16Å; V393-F426 HydrophobicContact CG1-CE1 3.99Å; F426-K428 PolarHBondContact O-N 3.39Å
427M84.6Confident89Confident8 Ų837.7 Ų37.74%0.03918%0.181CC..BIsolated β-bridgetrans-90.5105.5-179.1-60.5-64.995.400110.4I396 I399 T421 G422 N429 D432 A433 L436I396-M427 HydrophobicContact CD1-SD 4.44Å; I396-M427 HydrophobicContact CG1-SD 4.11Å; I399-M427 HydrophobicContact CD1-CE 3.52Å; T421-M427 VanDerWaalsContact CA-O 3.22Å; T421-M427 WeakPolarHBondContact CA-O 3.48Å; T421-M427 PolarHBondContact OG1-O 2.87Å; G422-M427 PolarHBondContact N-O 2.9Å; G422-M427 VanDerWaalsContact N-O 3.15Å; M427-N429 PolarHBondContact O-N 2.66Å; M427-D432 HydrophobicContact SD-CB 3.9Å; M427-A433 HydrophobicContact CB-CB 4.06Å; M427-A433 HydrophobicContact CG-CB 4.5Å; M427-L436 HydrophobicContact CG-CD2 3.77Å; M427-L436 HydrophobicContact SD-CD2 4.09Å
428K82.7Confident89Confident115 Ų11542.4 Ų42.450%0.520%0.202SC..  trans-74.7-23.7-177.4-58-53.5-175.2-168.80114.2G422 E423 A425 F426G422-K428 WeakPolarHBondContact O-CD 3.48Å; E423-K428 PolarHBondContact O-NZ 3.28Å; A425-K428 WeakPolarHBondContact O-CE 3.4Å; A425-K428 PolarHBondContact O-NZ 3.43Å; F426-K428 PolarHBondContact O-N 3.39Å
429N89.2Confident89Confident67 Ų6742.8 Ų42.836%0.35820%0.204SC..SBendtrans-122.9152.2179.869.977.8000111.9T421 M427 D431 D432 A433T421-N429 PolarHBondContact OG1-O 3.12Å; M427-N429 PolarHBondContact O-N 2.66Å; N429-D431 VanDerWaalsContact C-N 3.3Å; N429-D431 PolarHBondContact O-N 2.79Å; N429-D431 PolarHBondContact OD1-N 3Å; N429-D432 PolarHBondContact ND2-OD2 2.93Å; N429-D432 PolarHBondContact O-N 3.01Å; N429-D432 WeakPolarHBondContact OD1-CB 3.47Å; N429-D432 PolarHBondContact OD1-N 3.27Å; N429-D432 PolarHBondContact OD1-OD2 2.94Å; N429-A433 PolarHBondContact O-N 2.68Å; N429-A433 VanDerWaalsContact O-N 3.17Å
430I91.9Very high89Confident56 Ų5642.8 Ų42.829%0.28720%0.204SC..Hα-helixtrans-65.8-30.3-175.8-173.859.4000113.1T421 A433 K434 I455 H647T421-I430 HydrophobicContact CG2-CD1 4.19Å; I430-A433 PolarHBondContact O-N 2.88Å; I430-K434 HydrophobicContact CG1-CD 4.34Å; I430-K434 HydrophobicContact CG1-CG 4.49Å; I430-K434 WeakPolarHBondContact O-CB 3.35Å; I430-K434 VanDerWaalsContact O-CG 3.29Å; I430-K434 WeakPolarHBondContact O-CG 3.5Å; I430-K434 PolarHBondContact O-N 2.73Å; I430-I455 HydrophobicContact CD1-CG2 3.63Å; I430-H647 HydrophobicContact CD1-CB 3.55Å
431D93.6Very high89.2Confident116 Ų11643.1 Ų43.162%0.6221%0.206SC*.Hα-helixtrans-70.7-41.2-178.6-72.4-30.1000111.3N429 K434 R435N429-D431 VanDerWaalsContact C-N 3.3Å; N429-D431 PolarHBondContact O-N 2.79Å; N429-D431 PolarHBondContact OD1-N 3Å; D431-K434 PolarHBondContact O-N 3.04Å; D431-R435 WeakPolarHBondContact O-CB 3.3Å; D431-R435 PolarHBondContact O-N 3.36Å
432D91.9Very high89.3Confident60 Ų6048.8 Ų48.832%0.32123%0.227SC..Hα-helixtrans-66.8-40.4173.7-75.3-22.2000111.3I396 M427 N429 K434 R435 L436I396-D432 HydrophobicContact CD1-CB 4.01Å; M427-D432 HydrophobicContact SD-CB 3.9Å; N429-D432 PolarHBondContact ND2-OD2 2.93Å; N429-D432 PolarHBondContact O-N 3.01Å; N429-D432 WeakPolarHBondContact OD1-CB 3.47Å; N429-D432 PolarHBondContact OD1-N 3.27Å; N429-D432 PolarHBondContact OD1-OD2 2.94Å; D432-K434 PolarHBondContact O-N 3.22Å; D432-R435 PolarHBondContact O-N 2.74Å; D432-L436 WeakPolarHBondContact O-CB 3.28Å; D432-L436 PolarHBondContact O-N 3.05Å
433A93.4Very high89.6Confident0 Ų048.6 Ų48.60%022%0.224CC..Hα-helixtrans-60.9-43.5172.700000111.7V419 M427 N429 I430 R435 L436 A437 I455V419-A433 HydrophobicContact CG1-CB 4.17Å; M427-A433 HydrophobicContact CB-CB 4.06Å; M427-A433 HydrophobicContact CG-CB 4.5Å; N429-A433 PolarHBondContact O-N 2.68Å; N429-A433 VanDerWaalsContact O-N 3.17Å; I430-A433 PolarHBondContact O-N 2.88Å; A433-R435 VanDerWaalsContact C-N 3.34Å; A433-R435 PolarHBondContact O-N 3.46Å; A433-L436 PolarHBondContact O-N 3.03Å; A433-A437 VanDerWaalsContact O-CB 3.32Å; A433-A437 WeakPolarHBondContact O-CB 3.3Å; A433-A437 PolarHBondContact O-N 3.02Å; A433-I455 HydrophobicContact CB-CG2 3.94Å
434K95.4Very high90.3Very high61 Ų6143.4 Ų43.427%0.26520%0.2SC..Hα-helixtrans-62.4-40.7174.8-78.9179.4-174.7-150.50112.2I430 D431 D432 K438 I455 D648I430-K434 HydrophobicContact CG1-CD 4.34Å; I430-K434 HydrophobicContact CG1-CG 4.49Å; I430-K434 WeakPolarHBondContact O-CB 3.35Å; I430-K434 VanDerWaalsContact O-CG 3.29Å; I430-K434 WeakPolarHBondContact O-CG 3.5Å; I430-K434 PolarHBondContact O-N 2.73Å; D431-K434 PolarHBondContact O-N 3.04Å; D432-K434 PolarHBondContact O-N 3.22Å; K434-K438 WeakPolarHBondContact O-CB 3.41Å; K434-K438 VanDerWaalsContact O-CG 3.3Å; K434-K438 WeakPolarHBondContact O-CG 3.47Å; K434-K438 PolarHBondContact O-N 2.98Å; K434-I455 HydrophobicContact CB-CD1 4.1Å; K434-I455 HydrophobicContact CG-CD1 3.36Å; K434-D648 WeakPolarHBondContact CE-OD2 3.37Å; K434-D648 IonicContact NZ-OD2 3.82Å; K434-D648 PolarHBondContact NZ-OD2 3.36Å
435R93.9Very high91.1Very high92 Ų9248.8 Ų48.835%0.34722%0.223SC..Hα-helixtrans-64.3-49.5176.6-175.9177.8169.9-137.3-15.2110.6D268 I396 D431 D432 A433 A437 K438 T439D268-R435 IonicContact OD1-CZ 3.34Å; D268-R435 IonicContact OD1-NH2 3.66Å; D268-R435 PolarHBondContact OD1-NH2 3.26Å; D268-R435 IonicContact OD2-CZ 2.87Å; D268-R435 IonicContact OD2-NH1 3.65Å; D268-R435 IonicContact OD2-NH2 2.83Å; D268-R435 PolarHBondContact OD2-NH2 3.36Å; I396-R435 HydrophobicContact CD1-CB 4.18Å; I396-R435 HydrophobicContact CD1-CG 4.14Å; I396-R435 HydrophobicContact CG2-CG 4.33Å; D431-R435 WeakPolarHBondContact O-CB 3.3Å; D431-R435 PolarHBondContact O-N 3.36Å; D432-R435 PolarHBondContact O-N 2.74Å; A433-R435 VanDerWaalsContact C-N 3.34Å; A433-R435 PolarHBondContact O-N 3.46Å; R435-A437 PolarHBondContact O-N 3.43Å; R435-K438 PolarHBondContact O-N 2.83Å; R435-T439 WeakPolarHBondContact O-CB 3.41Å; R435-T439 PolarHBondContact O-N 3.05Å; R435-T439 PolarHBondContact O-OG1 3.19Å
436L94.4Very high91.7Very high0 Ų053.9 Ų53.90%025%0.249CC..Hα-helixtrans-57.8-47.7177176.557.5000112T303 I396 I399 A400 V419 M427 D432 A433 K438 T439 M440T303-L436 HydrophobicContact CG2-CD2 3.99Å; I396-L436 HydrophobicContact CG2-CB 4.13Å; I396-L436 HydrophobicContact CG2-CD1 4.14Å; I399-L436 HydrophobicContact CB-CD1 4.2Å; I399-L436 HydrophobicContact CG2-CD1 3.84Å; I399-L436 HydrophobicContact CG2-CD2 3.91Å; A400-L436 HydrophobicContact CB-CD1 3.87Å; V419-L436 HydrophobicContact CG1-CB 4.47Å; V419-L436 HydrophobicContact CG1-CD2 4.07Å; V419-L436 HydrophobicContact CG1-CG 4.29Å; M427-L436 HydrophobicContact CG-CD2 3.77Å; M427-L436 HydrophobicContact SD-CD2 4.09Å; D432-L436 WeakPolarHBondContact O-CB 3.28Å; D432-L436 PolarHBondContact O-N 3.05Å; A433-L436 PolarHBondContact O-N 3.03Å; L436-K438 PolarHBondContact O-N 2.82Å; L436-T439 PolarHBondContact O-N 3.16Å; L436-M440 HydrophobicContact CD1-CE 4.03Å; L436-M440 HydrophobicContact CD1-CG 4.12Å; L436-M440 HydrophobicContact CD1-SD 4.1Å; L436-M440 HydrophobicContact CD2-CE 4.43Å; L436-M440 HydrophobicContact CG-CE 3.75Å; L436-M440 HydrophobicContact CG-SD 4.46Å; L436-M440 WeakPolarHBondContact O-CG 3.25Å; L436-M440 PolarHBondContact O-N 3.34Å
437A95.9Very high92.5Very high0 Ų050.7 Ų50.70%024%0.238CC..Hα-helixtrans-56.9-50.1176.900000112.1V419 A433 R435 T439 M440 V441 A453 I455 I650V419-A437 HydrophobicContact CB-CB 4.41Å; V419-A437 HydrophobicContact CG2-CB 3.96Å; A433-A437 VanDerWaalsContact O-CB 3.32Å; A433-A437 WeakPolarHBondContact O-CB 3.3Å; A433-A437 PolarHBondContact O-N 3.02Å; R435-A437 PolarHBondContact O-N 3.43Å; A437-T439 PolarHBondContact O-N 3.34Å; A437-M440 PolarHBondContact O-N 3.48Å; A437-V441 WeakPolarHBondContact O-CG2 3.34Å; A437-V441 PolarHBondContact O-N 2.74Å; A437-A453 HydrophobicContact CB-CB 3.77Å; A437-I455 HydrophobicContact CB-CD1 4.12Å; A437-I455 HydrophobicContact CB-CG1 4.15Å; A437-I650 HydrophobicContact CB-CB 4.45Å; A437-I650 HydrophobicContact CB-CG1 3.99Å
438K95.6Very high92.8Very high100 Ų10053.1 Ų53.144%0.43527%0.265SS..Hα-helixtrans-62.1-41.4178-74.3173.8-179176.10112.3K434 R435 L436 R442 I650K434-K438 WeakPolarHBondContact O-CB 3.41Å; K434-K438 VanDerWaalsContact O-CG 3.3Å; K434-K438 WeakPolarHBondContact O-CG 3.47Å; K434-K438 PolarHBondContact O-N 2.98Å; R435-K438 PolarHBondContact O-N 2.83Å; L436-K438 PolarHBondContact O-N 2.82Å; K438-R442 VanDerWaalsContact O-CG 3.3Å; K438-R442 WeakPolarHBondContact O-CG 3.26Å; K438-R442 PolarHBondContact O-N 2.64Å; K438-I650 HydrophobicContact CG-CG2 3.83Å
439T95.1Very high93.3Very high10 Ų1050.5 Ų50.56%0.06125%0.252CS..Hα-helixtrans-61.1-47.8177-640000110.7I274 A400 R435 L436 A437 R442 I443I274-T439 HydrophobicContact CD1-CG2 3.8Å; I274-T439 HydrophobicContact CG2-CG2 3.91Å; A400-T439 HydrophobicContact CB-CG2 3.6Å; R435-T439 WeakPolarHBondContact O-CB 3.41Å; R435-T439 PolarHBondContact O-N 3.05Å; R435-T439 PolarHBondContact O-OG1 3.19Å; L436-T439 PolarHBondContact O-N 3.16Å; A437-T439 PolarHBondContact O-N 3.34Å; T439-R442 PolarHBondContact O-N 3.03Å; T439-I443 HydrophobicContact CG2-CD1 4.08Å; T439-I443 VanDerWaalsContact O-CG1 3.28Å; T439-I443 WeakPolarHBondContact O-CG1 3.35Å; T439-I443 PolarHBondContact O-N 2.77Å
440M95.8Very high93.6Very high0 Ų052.2 Ų52.20%026%0.258CS..Hα-helixtrans-67.1-39.2-179.6-67.3-173.1-66.600113.5T303 A400 I403 M404 L417 V419 L436 A437 R442 I443 G444T303-M440 HydrophobicContact CG2-CE 4.35Å; A400-M440 HydrophobicContact CB-CG 3.7Å; I403-M440 HydrophobicContact CB-SD 4.22Å; I403-M440 HydrophobicContact CD1-SD 4.14Å; I403-M440 HydrophobicContact CG2-SD 3.99Å; M404-M440 HydrophobicContact CG-CB 3.95Å; M404-M440 HydrophobicContact CG-CG 3.92Å; M404-M440 HydrophobicContact SD-CB 4.02Å; M404-M440 HydrophobicContact SD-CG 4.42Å; L417-M440 HydrophobicContact CB-CE 4.41Å; L417-M440 HydrophobicContact CD1-CB 3.34Å; L417-M440 HydrophobicContact CD1-CE 3.99Å; L417-M440 HydrophobicContact CD1-CG 4.28Å; L417-M440 HydrophobicContact CD1-SD 4.09Å; L417-M440 HydrophobicContact CD2-SD 4.45Å; V419-M440 HydrophobicContact CG2-CE 3.39Å; L436-M440 HydrophobicContact CD1-CE 4.03Å; L436-M440 HydrophobicContact CD1-CG 4.12Å; L436-M440 HydrophobicContact CD1-SD 4.1Å; L436-M440 HydrophobicContact CD2-CE 4.43Å; L436-M440 HydrophobicContact CG-CE 3.75Å; L436-M440 HydrophobicContact CG-SD 4.46Å; L436-M440 WeakPolarHBondContact O-CG 3.25Å; L436-M440 PolarHBondContact O-N 3.34Å; A437-M440 PolarHBondContact O-N 3.48Å; M440-R442 VanDerWaalsContact C-N 3.33Å; M440-R442 PolarHBondContact O-N 2.83Å; M440-I443 PolarHBondContact O-N 2.96Å; M440-G444 PolarHBondContact O-N 3.38Å
441V96Very high93.8Very high8 Ų849.6 Ų49.65%0.04824%0.244CC..Hα-helixtrans-60.2-43.3173.9170.10000111A437 G444 K445 T451 A453 I650 E652A437-V441 WeakPolarHBondContact O-CG2 3.34Å; A437-V441 PolarHBondContact O-N 2.74Å; V441-G444 PolarHBondContact O-N 3.19Å; V441-K445 PolarHBondContact O-N 2.94Å; V441-K445 VanDerWaalsContact O-N 3.09Å; V441-T451 HydrophobicContact CG2-CG2 4.22Å; V441-A453 HydrophobicContact CG2-CB 3.84Å; V441-I650 HydrophobicContact CG2-CG2 4.46Å; V441-E652 HydrophobicContact CG1-CG 4.29Å
442R93.7Very high93.9Very high125 Ų12545.5 Ų45.547%0.47222%0.222SC..Hα-helixtrans-63.6-43.9176.5-74.1175.2-174.7-177.83.2112.8D271 K438 T439 M440 G444 K445 L446D271-R442 IonicContact OD1-NH1 2.89Å; D271-R442 IonicContact OD2-CZ 3.83Å; D271-R442 IonicContact OD2-NH1 3.33Å; D271-R442 PolarHBondContact OD2-NH1 3.36Å; K438-R442 VanDerWaalsContact O-CG 3.3Å; K438-R442 WeakPolarHBondContact O-CG 3.26Å; K438-R442 PolarHBondContact O-N 2.64Å; T439-R442 PolarHBondContact O-N 3.03Å; M440-R442 VanDerWaalsContact C-N 3.33Å; M440-R442 PolarHBondContact O-N 2.83Å; R442-G444 VanDerWaalsContact C-N 3.32Å; R442-G444 PolarHBondContact O-N 3.1Å; R442-K445 PolarHBondContact O-N 3.28Å; R442-L446 WeakPolarHBondContact O-CG 3.46Å; R442-L446 PolarHBondContact O-N 3.49Å
443I94.5Very high94.2Very high4 Ų442.6 Ų42.62%0.02121%0.207CC..Hα-helixtrans-57.1-48.8175.4-68.6165.9000110.1I274 T278 A400 M404 I408 T439 M440 K445 L446 A447I274-I443 HydrophobicContact CG2-CD1 3.44Å; I274-I443 VanDerWaalsContact CG2-CD1 3.44Å; I274-I443 HydrophobicContact CG2-CG1 3.8Å; T278-I443 HydrophobicContact CG2-CG2 3.68Å; A400-I443 HydrophobicContact CB-CD1 3.76Å; M404-I443 HydrophobicContact CB-CB 4.43Å; M404-I443 HydrophobicContact CB-CD1 4.35Å; M404-I443 HydrophobicContact CB-CG2 3.64Å; M404-I443 HydrophobicContact CE-CG2 4.37Å; M404-I443 HydrophobicContact CG-CB 4.22Å; M404-I443 HydrophobicContact CG-CD1 4.11Å; M404-I443 HydrophobicContact CG-CG2 3.95Å; I408-I443 HydrophobicContact CD1-CG2 4.14Å; T439-I443 HydrophobicContact CG2-CD1 4.08Å; T439-I443 VanDerWaalsContact O-CG1 3.28Å; T439-I443 WeakPolarHBondContact O-CG1 3.35Å; T439-I443 PolarHBondContact O-N 2.77Å; M440-I443 PolarHBondContact O-N 2.96Å; I443-K445 VanDerWaalsContact C-N 3.32Å; I443-K445 PolarHBondContact O-N 3.21Å; I443-L446 PolarHBondContact O-N 2.88Å; I443-A447 WeakPolarHBondContact O-CB 3.16Å; I443-A447 PolarHBondContact O-N 3.26Å
444G93.4Very high94.4Very high0 Ų042.6 Ų42.60%021%0.207CC..Hα-helixtrans-55.5-48179.100000112M440 V441 R442 L446 A447 G448 R449 T451M440-G444 PolarHBondContact O-N 3.38Å; V441-G444 PolarHBondContact O-N 3.19Å; R442-G444 VanDerWaalsContact C-N 3.32Å; R442-G444 PolarHBondContact O-N 3.1Å; G444-L446 PolarHBondContact O-N 2.81Å; G444-A447 CarbonylContact O-C 3.46Å; G444-A447 PolarHBondContact O-N 3.31Å; G444-G448 PolarHBondContact O-N 2.96Å; G444-G448 VanDerWaalsContact O-N 3.14Å; G444-R449 CarbonylContact C-O 3.56Å; G444-R449 WeakPolarHBondContact O-CA 3.45Å; G444-R449 PolarHBondContact O-N 2.88Å; G444-R449 VanDerWaalsContact O-O 3.11Å; G444-T451 WeakPolarHBondContact CA-OG1 3.22Å
445K91.5Very high94.4Very high114 Ų11439.7 Ų39.750%0.49619%0.194SC..Hα-helixtrans-57.7-47.6175.3-178.3174.3-171.7143.10113.1V441 R442 I443 A447 G448 E652V441-K445 PolarHBondContact O-N 2.94Å; V441-K445 VanDerWaalsContact O-N 3.09Å; R442-K445 PolarHBondContact O-N 3.28Å; I443-K445 VanDerWaalsContact C-N 3.32Å; I443-K445 PolarHBondContact O-N 3.21Å; K445-A447 VanDerWaalsContact C-N 3.26Å; K445-A447 PolarHBondContact O-N 3.27Å; K445-G448 PolarHBondContact O-N 3.1Å; K445-E652 IonicContact NZ-OE2 3.13Å; K445-E652 PolarHBondContact NZ-OE2 2.74Å
446L89.7Confident94.5Very high111 Ų11135.3 Ų35.358%0.58118%0.178SC*.Hα-helixtrans-67-28.4179.3-71.4168.8000112.5S275 R442 I443 G444 G448S275-L446 WeakPolarHBondContact OG-CD1 3.45Å; R442-L446 WeakPolarHBondContact O-CG 3.46Å; R442-L446 PolarHBondContact O-N 3.49Å; I443-L446 PolarHBondContact O-N 2.88Å; G444-L446 PolarHBondContact O-N 2.81Å; L446-G448 VanDerWaalsContact C-N 3.26Å; L446-G448 PolarHBondContact O-N 3.42Å
447A89.3Confident94.5Very high18 Ų1836.8 Ų36.815%0.14919%0.185CC..THydrogen-bonded Turntrans-82.43171.600000113.8L279 I408 I443 G444 K445 R449L279-A447 HydrophobicContact CD2-CB 3.99Å; I408-A447 HydrophobicContact CD1-CB 3.47Å; I408-A447 VanDerWaalsContact CD1-CB 3.47Å; I408-A447 HydrophobicContact CG1-CB 3.96Å; I443-A447 WeakPolarHBondContact O-CB 3.16Å; I443-A447 PolarHBondContact O-N 3.26Å; G444-A447 CarbonylContact O-C 3.46Å; G444-A447 PolarHBondContact O-N 3.31Å; K445-A447 VanDerWaalsContact C-N 3.26Å; K445-A447 PolarHBondContact O-N 3.27Å; A447-R449 PolarHBondContact O-NH1 2.82Å; A447-R449 VanDerWaalsContact O-NH1 3.16Å
448G91.1Very high94.3Very high59 Ų5936.9 Ų36.961%0.60819%0.186SC*.THydrogen-bonded Turntrans68.935.4-178.700000113.6G444 K445 L446G444-G448 PolarHBondContact O-N 2.96Å; G444-G448 VanDerWaalsContact O-N 3.14Å; K445-G448 PolarHBondContact O-N 3.1Å; L446-G448 VanDerWaalsContact C-N 3.26Å; L446-G448 PolarHBondContact O-N 3.42Å
449R93.4Very high94Very high60 Ų6033.8 Ų33.823%0.22618%0.176CC..  trans-118.8135.6176.4-60.2-56.4-171.2-88.8-3.1111A412 I415 G444 A447 T451A412-R449 WeakPolarHBondContact O-CD 3.28Å; A412-R449 PolarHBondContact O-NE 2.98Å; I415-R449 HydrophobicContact CD1-CB 4.23Å; I415-R449 HydrophobicContact CD1-CG 4.4Å; G444-R449 CarbonylContact C-O 3.56Å; G444-R449 WeakPolarHBondContact O-CA 3.45Å; G444-R449 PolarHBondContact O-N 2.88Å; G444-R449 VanDerWaalsContact O-O 3.11Å; A447-R449 PolarHBondContact O-NH1 2.82Å; A447-R449 VanDerWaalsContact O-NH1 3.16Å; R449-T451 PolarHBondContact O-N 3.39Å; R449-T451 PolarHBondContact O-OG1 3.17Å
450Q95.2Very high93.9Very high102 Ų10234.3 Ų34.348%0.47718%0.178SC..EExtended strand (participates in β ladder)trans-70.9121172.7-66.8-63-74.100108.9D413 A414 I415 L501D413-Q450 PolarHBondContact O-N 3.26Å; D413-Q450 VanDerWaalsContact O-N 3.13Å; A414-Q450 CarbonylContact C-O 3.44Å; A414-Q450 VanDerWaalsContact CA-O 3.23Å; A414-Q450 WeakPolarHBondContact CA-O 3.37Å; A414-Q450 HydrophobicContact CB-CB 4.12Å; I415-Q450 PolarHBondContact N-O 3.48Å; Q450-L501 HydrophobicContact CB-CD2 4.03Å
451T96.2Very high93.8Very high1 Ų134.3 Ų34.31%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-135.1132.7-172.7-52.90000111.5M404 I415 L417 V441 G444 R449M404-T451 HydrophobicContact CE-CG2 4.34Å; I415-T451 HydrophobicContact CB-CG2 4.33Å; I415-T451 VanDerWaalsContact O-CA 3.28Å; I415-T451 WeakPolarHBondContact O-CA 3.37Å; L417-T451 HydrophobicContact CD1-CG2 3.58Å; L417-T451 HydrophobicContact CG-CG2 4.16Å; V441-T451 HydrophobicContact CG2-CG2 4.22Å; G444-T451 WeakPolarHBondContact CA-OG1 3.22Å; R449-T451 PolarHBondContact O-N 3.39Å; R449-T451 PolarHBondContact O-OG1 3.17Å
452M97Very high93.8Very high30 Ų3034.3 Ų34.315%0.14818%0.178CC..EExtended strand (participates in β ladder)trans-130.1149.9173.5-72.5176.717200109.6I415 V416 L417 Q497 L501 T651I415-M452 PolarHBondContact O-N 2.84Å; V416-M452 CarbonylContact C-O 3.59Å; V416-M452 WeakPolarHBondContact CA-O 3.33Å; L417-M452 PolarHBondContact N-O 2.81Å; M452-Q497 HydrophobicContact SD-CB 4.04Å; M452-Q497 HydrophobicContact SD-CG 4.49Å; M452-Q497 PolarHBondContact SD-OE1 2.99Å; M452-L501 HydrophobicContact CB-CD1 4.17Å; M452-L501 HydrophobicContact CE-CD2 3.53Å; M452-L501 HydrophobicContact CE-CG 4.21Å; M452-L501 HydrophobicContact CG-CD1 3.97Å; M452-L501 HydrophobicContact CG-CD2 4.02Å; M452-L501 HydrophobicContact CG-CG 4.23Å; M452-L501 HydrophobicContact SD-CD1 4.02Å; M452-L501 HydrophobicContact SD-CD2 3.67Å; M452-L501 HydrophobicContact SD-CG 3.71Å; M452-T651 HydrophobicContact CE-CG2 4.32Å
453A97.1Very high93.9Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-128134177.600000111.6L417 V419 A437 V441 I650L417-A453 HydrophobicContact CB-CB 3.98Å; L417-A453 HydrophobicContact CD1-CB 4.48Å; L417-A453 CarbonylContact O-C 3.59Å; L417-A453 VanDerWaalsContact O-CA 3.28Å; L417-A453 WeakPolarHBondContact O-CA 3.2Å; V419-A453 HydrophobicContact CG2-CB 4.23Å; A437-A453 HydrophobicContact CB-CB 3.77Å; V441-A453 HydrophobicContact CG2-CB 3.84Å; A453-I650 HydrophobicContact CB-CB 4.38Å; A453-I650 PolarHBondContact N-O 2.96Å; A453-I650 PolarHBondContact O-N 2.8Å
454V97.6Very high94Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-108130.3171.8177.80000107.2L417 V419 V493 L494 Q497 I646 I649L417-V454 PolarHBondContact O-N 3.1Å; V419-V454 PolarHBondContact N-O 3.18Å; V454-V493 HydrophobicContact CG1-CG1 3.86Å; V454-V493 HydrophobicContact CG2-CG1 4.09Å; V454-L494 HydrophobicContact CB-CD2 3.84Å; V454-L494 HydrophobicContact CG1-CD2 4.45Å; V454-L494 HydrophobicContact CG2-CD2 3.77Å; V454-Q497 HydrophobicContact CG2-CG 4.07Å; V454-I646 HydrophobicContact CG1-CD1 3.86Å; V454-I646 HydrophobicContact CG1-CG2 4.04Å; V454-I649 HydrophobicContact CG2-CG1 4.43Å; V454-I649 HydrophobicContact CG2-CG2 4.5Å
455I96.7Very high94.2Very high0 Ų031.6 Ų31.60%017%0.171CC..EExtended strand (participates in β ladder)trans-97.9114.4176.1-52.2-177.9000108.4V419 T421 I430 A433 K434 A437 H647 D648 I650V419-I455 HydrophobicContact CB-CG1 4.47Å; V419-I455 VanDerWaalsContact O-CA 3.29Å; V419-I455 WeakPolarHBondContact O-CA 3.48Å; V419-I455 WeakPolarHBondContact O-CG2 3.17Å; T421-I455 HydrophobicContact CG2-CG2 4.24Å; I430-I455 HydrophobicContact CD1-CG2 3.63Å; A433-I455 HydrophobicContact CB-CG2 3.94Å; K434-I455 HydrophobicContact CB-CD1 4.1Å; K434-I455 HydrophobicContact CG-CD1 3.36Å; A437-I455 HydrophobicContact CB-CD1 4.12Å; A437-I455 HydrophobicContact CB-CG1 4.15Å; I455-H647 HydrophobicContact CB-CB 4.43Å; I455-H647 HydrophobicContact CG2-CB 4.16Å; I455-H647 PolarHBondContact O-N 3.26Å; I455-D648 HydrophobicContact CB-CB 4.29Å; I455-D648 HydrophobicContact CD1-CB 3.96Å; I455-D648 HydrophobicContact CG1-CB 4.31Å; I455-D648 PolarHBondContact N-O 3.29Å; I455-I650 HydrophobicContact CD1-CG1 4.1Å; I455-I650 HydrophobicContact CG1-CG1 4.46Å
456S95.3Very high94.4Very high0 Ų026.4 Ų26.40%015%0.149CC..EExtended strand (participates in β ladder)trans-115153.8-172.758.40000111.9D418 V419 T420 T421 L645D418-S456 WeakPolarHBondContact OD1-CB 3.37Å; D418-S456 PolarHBondContact OD1-OG 2.85Å; V419-S456 PolarHBondContact O-N 3.36Å; T420-S456 CarbonylContact C-O 3.53Å; T420-S456 WeakPolarHBondContact CA-O 3.42Å; T420-S456 WeakPolarHBondContact CG2-OG 3.45Å; T421-S456 PolarHBondContact N-O 2.91Å; S456-L645 CarbonylContact C-O 3.55Å; S456-L645 WeakPolarHBondContact CA-O 3.17Å
457D94Very high94.6Very high30 Ų3021.3 Ų21.316%0.1612%0.123CC..EExtended strand (participates in β ladder)trans-83141.1173.7-161.682.6000111.8S459 I644 L645 H647D457-S459 PolarHBondContact OD1-OG 3.31Å; D457-S459 WeakPolarHBondContact OD2-CB 3.21Å; D457-S459 PolarHBondContact OD2-N 2.84Å; D457-S459 PolarHBondContact OD2-OG 3.45Å; D457-I644 WeakPolarHBondContact CB-O 3.38Å; D457-L645 PolarHBondContact N-O 2.94Å; D457-H647 IonicContact OD1-CE1 3.42Å; D457-H647 IonicContact OD1-NE2 3.34Å; D457-H647 PolarHBondContact OD1-NE2 3.12Å
458M91.4Very high94.9Very high3 Ų320.6 Ų20.62%0.01512%0.117CC..  trans-138.331.8175.7-164.857.357.600109.8G305 V306 T420 T421 G424 A425 E460 L462 A570G305-M458 VanDerWaalsContact CA-SD 3.51Å; V306-M458 PolarHBondContact N-SD 2.89Å; T420-M458 HydrophobicContact CG2-CB 4.31Å; T420-M458 HydrophobicContact CG2-CE 3.79Å; T421-M458 PolarHBondContact O-N 2.61Å; G424-M458 WeakPolarHBondContact CA-O 3.38Å; G424-M458 PolarHBondContact N-O 3.04Å; A425-M458 HydrophobicContact CB-CB 4.2Å; M458-E460 VanDerWaalsContact C-N 3.35Å; M458-L462 HydrophobicContact CE-CB 4.39Å; M458-A570 WeakPolarHBondContact O-CB 3.26Å
459S90.6Very high95.2Very high34 Ų3418 Ų1824%0.2389%0.089CC..SBendtrans-71.6-36.2173.9-53.90000110.5D457 A570D457-S459 PolarHBondContact OD1-OG 3.31Å; D457-S459 WeakPolarHBondContact OD2-CB 3.21Å; D457-S459 PolarHBondContact OD2-N 2.84Å; D457-S459 PolarHBondContact OD2-OG 3.45Å; S459-A570 WeakPolarHBondContact O-CB 3.47Å; S459-A570 PolarHBondContact O-N 3.45Å; S459-A570 VanDerWaalsContact O-N 3.11Å
460E93Very high95.4Very high22 Ų2215.5 Ų15.510%0.1038%0.081CC..SBendtrans-113.7158.1167.470.3-179.6138.700111.3M458 L568 K602 V603 P643M458-E460 VanDerWaalsContact C-N 3.35Å; E460-L568 WeakPolarHBondContact CA-O 3.28Å; E460-L568 HydrophobicContact CB-CB 3.94Å; E460-K602 VanDerWaalsContact CD-CE 3.45Å; E460-K602 WeakPolarHBondContact OE2-CE 3.41Å; E460-K602 IonicContact OE2-NZ 3.82Å; E460-V603 HydrophobicContact CB-CG2 4.19Å; E460-V603 PolarHBondContact OE2-N 2.97Å; E460-P643 VanDerWaalsContact OE1-CB 3.29Å; E460-P643 WeakPolarHBondContact OE1-CB 3.37Å
461P94.1Very high95.5Very high0 Ų010.9 Ų10.90%06%0.059CC..  trans-56.1140.7174.4-25.736.4000111.6V306 I466 A570 I573 L599 K602V306-P461 HydrophobicContact CB-CB 4.44Å; V306-P461 HydrophobicContact CG1-CB 4.11Å; V306-P461 HydrophobicContact CG1-CG 4.14Å; V306-P461 CarbonylContact O-C 3.56Å; V306-P461 WeakPolarHBondContact O-CA 3.48Å; P461-I466 HydrophobicContact CB-CD1 4Å; P461-I466 HydrophobicContact CB-CG1 4.08Å; P461-I466 HydrophobicContact CG-CD1 4.26Å; P461-I466 HydrophobicContact CG-CG1 4.45Å; P461-A570 HydrophobicContact CG-CB 4.28Å; P461-I573 HydrophobicContact CG-CB 4.16Å; P461-I573 HydrophobicContact CG-CD1 3.8Å; P461-I573 HydrophobicContact CG-CG2 4.05Å; P461-L599 HydrophobicContact CB-CD1 4.15Å; P461-L599 HydrophobicContact CG-CD1 4.12Å; P461-K602 PolarHBondContact O-NZ 2.9Å
462L94.4Very high95.6Very high7 Ų710.9 Ų10.94%0.0376%0.059CC..SBendtrans-71.5138.9171.2-178.365.9000109.4V306 G307 T310 M458 D486 L487 M490 L645V306-L462 PolarHBondContact O-N 3.31Å; G307-L462 CarbonylContact C-O 3.58Å; T310-L462 WeakPolarHBondContact OG1-CD2 3.37Å; M458-L462 HydrophobicContact CE-CB 4.39Å; L462-D486 HydrophobicContact CD1-CB 4.4Å; L462-L487 HydrophobicContact CD2-CD1 3.97Å; L462-L487 HydrophobicContact CG-CD1 4.25Å; L462-M490 HydrophobicContact CD1-CB 4.32Å; L462-M490 HydrophobicContact CD2-CB 4.44Å; L462-M490 HydrophobicContact CD2-CG 4.12Å; L462-L645 HydrophobicContact CD1-CD1 4Å
463G96.1Very high95.6Very high0 Ų010.1 Ų10.10%06%0.056CC..SBendtrans66.2-152.9-17600000112.4D486 K602G463-D486 PolarHBondContact N-OD2 3.42Å; G463-K602 PolarHBondContact O-NZ 3.41Å
464Q97Very high95.7Very high67 Ų6710.7 Ų10.731%0.3136%0.059SC..SBendtrans-121.9-17.8-176.9-68.5176.4-11.200112.4E474 P484 K598 L599Q464-E474 WeakPolarHBondContact CA-OE1 3.39Å; Q464-E474 PolarHBondContact N-OE1 3.31Å; Q464-P484 HydrophobicContact CB-CG 4.2Å; Q464-P484 HydrophobicContact CG-CB 4.34Å; Q464-P484 HydrophobicContact CG-CG 3.93Å; Q464-K598 CarbonylContact O-C 3.55Å; Q464-K598 WeakPolarHBondContact O-CA 3.35Å; Q464-L599 HydrophobicContact CB-CB 4.41Å; Q464-L599 PolarHBondContact O-N 3.36Å
465A97.3Very high95.7Very high5 Ų510.7 Ų10.74%0.0416%0.059CC..EExtended strand (participates in β ladder)trans-99.1131.9-178.500000112.4G307 L470 E471 E474G307-A465 WeakPolarHBondContact CA-O 3.16Å; A465-L470 HydrophobicContact CB-CB 3.88Å; A465-E471 HydrophobicContact CB-CG 3.93Å; A465-E471 WeakPolarHBondContact O-CG 3.45Å; A465-E474 HydrophobicContact CB-CB 3.82Å; A465-E474 HydrophobicContact CB-CG 4.39Å; A465-E474 PolarHBondContact N-OE1 2.69Å
466I96.1Very high95.8Very high6 Ų610.7 Ų10.73%0.0316%0.059CC..EExtended strand (participates in β ladder)trans-126109.2168.8-55.988.2000107.4V306 P461 I573 A577 G596 I597 L599V306-I466 HydrophobicContact CG1-CG1 3.81Å; V306-I466 HydrophobicContact CG1-CG2 3.84Å; P461-I466 HydrophobicContact CB-CD1 4Å; P461-I466 HydrophobicContact CB-CG1 4.08Å; P461-I466 HydrophobicContact CG-CD1 4.26Å; P461-I466 HydrophobicContact CG-CG1 4.45Å; I466-I573 HydrophobicContact CD1-CG2 4.01Å; I466-I573 HydrophobicContact CG1-CG2 4.2Å; I466-A577 HydrophobicContact CB-CB 4.45Å; I466-A577 HydrophobicContact CG2-CB 3.54Å; I466-G596 CarbonylContact O-C 3.46Å; I466-G596 WeakPolarHBondContact O-CA 3.39Å; I466-I597 HydrophobicContact CB-CB 4.37Å; I466-I597 HydrophobicContact CD1-CB 4.43Å; I466-I597 HydrophobicContact CD1-CG2 4.36Å; I466-I597 PolarHBondContact N-O 2.88Å; I466-I597 PolarHBondContact O-N 3.45Å; I466-L599 HydrophobicContact CD1-CD1 3.97Å; I466-L599 HydrophobicContact CD1-CD2 4.31Å; I466-L599 HydrophobicContact CD1-CG 3.83Å
467G94.9Very high95.9Very high4 Ų412.7 Ų12.74%0.0417%0.069CC..SBendtrans133.6148.7-178.600000113S469 L470 E471G467-S469 PolarHBondContact O-N 3.25Å; G467-L470 PolarHBondContact O-N 3.33Å; G467-E471 PolarHBondContact N-OE1 3.03Å; G467-E471 WeakPolarHBondContact O-CB 3.4Å; G467-E471 VanDerWaalsContact O-CG 3.25Å; G467-E471 WeakPolarHBondContact O-CG 3.16Å; G467-E471 PolarHBondContact O-N 3.49Å
468N95Very high96.1Very high2 Ų211.3 Ų11.31%0.0116%0.062CC..Hα-helixtrans-58.5-57.3-161-55.1-72000114.1I472 A582 I591 H593N468-I472 PolarHBondContact O-N 3.11Å; N468-A582 PolarHBondContact ND2-O 3.17Å; N468-I591 WeakPolarHBondContact ND2-CG2 3.33Å; N468-H593 HydrophobicContact CB-CB 4.18Å
469S96.6Very high96.5Very high4 Ų411.1 Ų11.13%0.0286%0.061CC..Hα-helixtrans-67.3-37.3177.6-68.10000112.3G467 E471 I472 V473 I548 H593G467-S469 PolarHBondContact O-N 3.25Å; S469-E471 VanDerWaalsContact C-N 3.32Å; S469-E471 PolarHBondContact O-N 2.98Å; S469-I472 PolarHBondContact O-N 3.43Å; S469-V473 WeakPolarHBondContact O-CG2 2.96Å; S469-V473 PolarHBondContact O-N 3.27Å; S469-I548 WeakPolarHBondContact CB-O 3.43Å; S469-I548 PolarHBondContact OG-O 2.86Å; S469-H593 VanDerWaalsContact CB-O 3.3Å; S469-H593 WeakPolarHBondContact CB-O 3.28Å; S469-H593 PolarHBondContact N-O 3.16Å; S469-H593 VanDerWaalsContact N-O 3.08Å; S469-H593 PolarHBondContact OG-O 3.27Å; S469-H593 VanDerWaalsContact OG-O 3.05Å
470L97.5Very high96.8Very high9 Ų913.6 Ų13.65%0.0477%0.067CC..Hα-helixtrans-62-41.8-179.5-65.8172.4000111.2A465 G467 V473 E474 L549 Y617A465-L470 HydrophobicContact CB-CB 3.88Å; G467-L470 PolarHBondContact O-N 3.33Å; L470-V473 PolarHBondContact O-N 3.43Å; L470-E474 PolarHBondContact O-N 3Å; L470-L549 HydrophobicContact CD2-CD2 3.67Å; L470-Y617 HydrophobicContact CD1-CD2 3.83Å; L470-Y617 HydrophobicContact CD1-CE2 4.38Å; L470-Y617 HydrophobicContact CD1-CG 4.22Å; L470-Y617 HydrophobicContact CD2-CD1 4.23Å; L470-Y617 HydrophobicContact CD2-CD2 3.91Å; L470-Y617 HydrophobicContact CD2-CE1 4.13Å; L470-Y617 HydrophobicContact CD2-CE2 3.83Å; L470-Y617 HydrophobicContact CD2-CG 4.12Å; L470-Y617 HydrophobicContact CG-CD2 4.5Å
471E97.5Very high97Very high5 Ų514.5 Ų14.52%0.0238%0.083CC..Hα-helixtrans-70.9-31.9178.8-70.4178.3-136.500112.3T309 L312 K342 A465 G467 S469 E474 A475T309-E471 HydrophobicContact CG2-CB 4.45Å; T309-E471 VanDerWaalsContact CG2-O 3.26Å; T309-E471 WeakPolarHBondContact CG2-O 3.44Å; T309-E471 WeakPolarHBondContact OG1-CG 3.37Å; L312-E471 HydrophobicContact CD2-CB 4.31Å; K342-E471 HydrophobicContact CD-CB 4.48Å; K342-E471 WeakPolarHBondContact CD-OE2 3.32Å; K342-E471 WeakPolarHBondContact CE-OE2 3.41Å; K342-E471 IonicContact NZ-OE2 2.76Å; K342-E471 PolarHBondContact NZ-OE2 3.33Å; A465-E471 HydrophobicContact CB-CG 3.93Å; A465-E471 WeakPolarHBondContact O-CG 3.45Å; G467-E471 PolarHBondContact N-OE1 3.03Å; G467-E471 WeakPolarHBondContact O-CB 3.4Å; G467-E471 VanDerWaalsContact O-CG 3.25Å; G467-E471 WeakPolarHBondContact O-CG 3.16Å; G467-E471 PolarHBondContact O-N 3.49Å; S469-E471 VanDerWaalsContact C-N 3.32Å; S469-E471 PolarHBondContact O-N 2.98Å; E471-E474 PolarHBondContact O-N 3.39Å; E471-A475 WeakPolarHBondContact O-CB 3.48Å; E471-A475 PolarHBondContact O-N 2.95Å
472I97.7Very high97.1Very high0 Ų021.7 Ų21.70%012%0.116CC..Hα-helixtrans-64.8-41.9170.1-68.3-67.9000111.1L312 K342 S345 I346 N468 S469 A475 I476 I548L312-I472 HydrophobicContact CD2-CD1 3.57Å; L312-I472 HydrophobicContact CD2-CG1 4.25Å; L312-I472 HydrophobicContact CG-CD1 3.99Å; K342-I472 HydrophobicContact CB-CD1 4.45Å; K342-I472 VanDerWaalsContact O-CG1 3.25Å; K342-I472 WeakPolarHBondContact O-CG1 3.46Å; S345-I472 WeakPolarHBondContact OG-CG1 3.45Å; I346-I472 HydrophobicContact CD1-CD1 4.08Å; I346-I472 HydrophobicContact CD1-CG2 4.09Å; I346-I472 HydrophobicContact CG1-CD1 4.34Å; I346-I472 HydrophobicContact CG1-CG1 4.39Å; I346-I472 HydrophobicContact CG1-CG2 3.99Å; N468-I472 PolarHBondContact O-N 3.11Å; S469-I472 PolarHBondContact O-N 3.43Å; I472-A475 PolarHBondContact O-N 2.79Å; I472-I476 HydrophobicContact CG2-CD1 3.9Å; I472-I476 WeakPolarHBondContact O-CD1 3.34Å; I472-I476 WeakPolarHBondContact O-CG1 3.44Å; I472-I476 PolarHBondContact O-N 2.73Å; I472-I548 HydrophobicContact CB-CD1 3.86Å; I472-I548 HydrophobicContact CG2-CD1 3.51Å
473V97.9Very high97.2Very high14 Ų1422.4 Ų22.49%0.08513%0.125CC..Hα-helixtrans-63.5-46.4175.6175.70000110.9S469 L470 A475 I476 D477 T545 I548 L549S469-V473 WeakPolarHBondContact O-CG2 2.96Å; S469-V473 PolarHBondContact O-N 3.27Å; L470-V473 PolarHBondContact O-N 3.43Å; V473-A475 VanDerWaalsContact C-N 3.3Å; V473-A475 PolarHBondContact O-N 3.06Å; V473-I476 WeakPolarHBondContact O-CB 3.05Å; V473-I476 PolarHBondContact O-N 3.05Å; V473-I476 VanDerWaalsContact O-N 3.14Å; V473-D477 PolarHBondContact O-N 3.39Å; V473-T545 HydrophobicContact CB-CG2 4.46Å; V473-T545 HydrophobicContact CG1-CG2 4.13Å; V473-T545 HydrophobicContact CG2-CG2 4.01Å; V473-I548 HydrophobicContact CG2-CD1 3.9Å; V473-I548 HydrophobicContact CG2-CG1 4.09Å; V473-L549 HydrophobicContact CG2-CD1 4.11Å; V473-L549 HydrophobicContact CG2-CD2 3.87Å; V473-L549 HydrophobicContact CG2-CG 3.93Å
474E98.1Very high97.2Very high12 Ų1223 Ų236%0.05613%0.129CC..Hα-helixtrans-60-38.8175.5-179.3177.5-99.500112.5T309 Q464 A465 L470 E471 D477 T478 P484 L487T309-E474 WeakPolarHBondContact CB-OE2 3.35Å; T309-E474 HydrophobicContact CG2-CB 4.43Å; T309-E474 HydrophobicContact CG2-CG 4.4Å; T309-E474 PolarHBondContact OG1-OE2 2.81Å; Q464-E474 WeakPolarHBondContact CA-OE1 3.39Å; Q464-E474 PolarHBondContact N-OE1 3.31Å; A465-E474 HydrophobicContact CB-CB 3.82Å; A465-E474 HydrophobicContact CB-CG 4.39Å; A465-E474 PolarHBondContact N-OE1 2.69Å; L470-E474 PolarHBondContact O-N 3Å; E471-E474 PolarHBondContact O-N 3.39Å; E474-D477 PolarHBondContact O-N 3.02Å; E474-T478 WeakPolarHBondContact O-CB 3.34Å; E474-T478 PolarHBondContact O-N 3.07Å; E474-T478 PolarHBondContact O-OG1 2.93Å; E474-P484 HydrophobicContact CG-CG 4.07Å; E474-P484 WeakPolarHBondContact OE1-CG 3.22Å; E474-L487 HydrophobicContact CG-CD2 3.81Å
475A98.3Very high97.1Very high0 Ų023.7 Ų23.70%015%0.146CC..Hα-helixtrans-63.3-43174.800000111.8T309 L312 V313 E471 I472 V473 T478 L479T309-A475 HydrophobicContact CG2-CB 3.69Å; L312-A475 HydrophobicContact CB-CB 3.54Å; L312-A475 HydrophobicContact CD2-CB 4.14Å; L312-A475 HydrophobicContact CG-CB 4.48Å; V313-A475 HydrophobicContact CG2-CB 3.78Å; E471-A475 WeakPolarHBondContact O-CB 3.48Å; E471-A475 PolarHBondContact O-N 2.95Å; I472-A475 PolarHBondContact O-N 2.79Å; V473-A475 VanDerWaalsContact C-N 3.3Å; V473-A475 PolarHBondContact O-N 3.06Å; A475-T478 PolarHBondContact O-N 3Å; A475-L479 WeakPolarHBondContact O-CB 3.27Å; A475-L479 VanDerWaalsContact O-CG 3.22Å; A475-L479 WeakPolarHBondContact O-CG 3.12Å; A475-L479 PolarHBondContact O-N 3.27Å
476I98.5Very high97.1Very high0 Ų025 Ų250%015%0.152CC..Hα-helixtrans-62.4-44.9176.3-70.6158.2000110.7I472 V473 T478 L479 K480 L525 F528 I542 T545I472-I476 HydrophobicContact CG2-CD1 3.9Å; I472-I476 WeakPolarHBondContact O-CD1 3.34Å; I472-I476 WeakPolarHBondContact O-CG1 3.44Å; I472-I476 PolarHBondContact O-N 2.73Å; V473-I476 WeakPolarHBondContact O-CB 3.05Å; V473-I476 PolarHBondContact O-N 3.05Å; V473-I476 VanDerWaalsContact O-N 3.14Å; I476-T478 VanDerWaalsContact C-N 3.34Å; I476-L479 PolarHBondContact O-N 3.41Å; I476-K480 HydrophobicContact CG2-CD 4.29Å; I476-K480 WeakPolarHBondContact O-CG 3.32Å; I476-K480 PolarHBondContact O-N 3.37Å; I476-L525 HydrophobicContact CG2-CD1 4.33Å; I476-F528 HydrophobicContact CD1-CE1 4.27Å; I476-F528 HydrophobicContact CG1-CD1 4.26Å; I476-F528 HydrophobicContact CG1-CE1 3.69Å; I476-I542 HydrophobicContact CD1-CG1 4.33Å; I476-I542 HydrophobicContact CG1-CG1 4.45Å; I476-I542 HydrophobicContact CG2-CG2 4.27Å; I476-T545 HydrophobicContact CD1-CG2 3.84Å; I476-T545 HydrophobicContact CG2-CG2 4.23Å
477D98Very high97.1Very high42 Ų4224.7 Ų24.723%0.22515%0.151CC..Hα-helixtrans-66-39.3179.1-66.6-17.5000111V473 E474 L479 K480 G481 E482 G483V473-D477 PolarHBondContact O-N 3.39Å; E474-D477 PolarHBondContact O-N 3.02Å; D477-L479 PolarHBondContact O-N 2.96Å; D477-K480 WeakPolarHBondContact O-CB 3.11Å; D477-K480 PolarHBondContact O-N 3.37Å; D477-K480 VanDerWaalsContact O-N 3.16Å; D477-K480 IonicContact OD1-NZ 2.63Å; D477-G481 PolarHBondContact O-N 2.95Å; D477-E482 CarbonylContact O-C 3.24Å; D477-E482 WeakPolarHBondContact O-CA 3.18Å; D477-E482 PolarHBondContact O-N 2.89Å; D477-G483 PolarHBondContact O-N 3.28Å
478T98.5Very high97.3Very high1 Ų125.6 Ų25.61%0.00616%0.156CC..Hα-helixtrans-61.3-44.5172.3-54.10000111.7V313 E474 A475 I476 K480 G481 L487 L519V313-T478 HydrophobicContact CB-CG2 4.49Å; V313-T478 HydrophobicContact CG1-CG2 3.76Å; V313-T478 HydrophobicContact CG2-CG2 3.95Å; E474-T478 WeakPolarHBondContact O-CB 3.34Å; E474-T478 PolarHBondContact O-N 3.07Å; E474-T478 PolarHBondContact O-OG1 2.93Å; A475-T478 PolarHBondContact O-N 3Å; I476-T478 VanDerWaalsContact C-N 3.34Å; T478-K480 PolarHBondContact O-N 3.43Å; T478-G481 WeakPolarHBondContact O-CA 3.39Å; T478-G481 PolarHBondContact O-N 2.88Å; T478-L487 HydrophobicContact CG2-CD2 4.47Å; T478-L487 HydrophobicContact CG2-CG 4.5Å; T478-L487 WeakPolarHBondContact OG1-CD2 3.48Å; T478-L519 WeakPolarHBondContact O-CD1 3.44Å
479L98.5Very high97.4Very high0 Ų028.6 Ų28.60%017%0.17CC..Hα-helixtrans-67-19.5176.9-71.5167.5000113.6V313 P316 A475 I476 D477 G481 L519 A524 L525 F528V313-L479 HydrophobicContact CG1-CD2 4.05Å; V313-L479 HydrophobicContact CG1-CG 4.31Å; P316-L479 HydrophobicContact CG-CD1 4.09Å; P316-L479 HydrophobicContact CG-CD2 4.2Å; A475-L479 WeakPolarHBondContact O-CB 3.27Å; A475-L479 VanDerWaalsContact O-CG 3.22Å; A475-L479 WeakPolarHBondContact O-CG 3.12Å; A475-L479 PolarHBondContact O-N 3.27Å; I476-L479 PolarHBondContact O-N 3.41Å; D477-L479 PolarHBondContact O-N 2.96Å; L479-G481 VanDerWaalsContact C-N 3.33Å; L479-L519 HydrophobicContact CD2-CD1 4.22Å; L479-A524 HydrophobicContact CD2-CB 3.63Å; L479-L525 HydrophobicContact CB-CB 4.17Å; L479-L525 HydrophobicContact CB-CD1 3.76Å; L479-F528 HydrophobicContact CD1-CB 3.59Å; L479-F528 HydrophobicContact CD1-CD1 3.97Å; L479-F528 HydrophobicContact CD1-CD2 4.19Å; L479-F528 HydrophobicContact CD1-CG 3.66Å
480K97.6Very high97.5Very high85 Ų8528.5 Ų28.537%0.3717%0.169SC..THydrogen-bonded Turntrans-82.5-8.6168.4-69.6166.8-175.1164.80113.1I476 D477 T478 E482 L525I476-K480 HydrophobicContact CG2-CD 4.29Å; I476-K480 WeakPolarHBondContact O-CG 3.32Å; I476-K480 PolarHBondContact O-N 3.37Å; D477-K480 WeakPolarHBondContact O-CB 3.11Å; D477-K480 PolarHBondContact O-N 3.37Å; D477-K480 VanDerWaalsContact O-N 3.16Å; D477-K480 IonicContact OD1-NZ 2.63Å; T478-K480 PolarHBondContact O-N 3.43Å; K480-E482 HydrophobicContact CB-CG 4.39Å; K480-L525 HydrophobicContact CG-CD1 4.38Å; K480-L525 HydrophobicContact CG-CD2 3.8Å
481G96.8Very high97.5Very high41 Ų4128.1 Ų28.142%0.42317%0.167SC..THydrogen-bonded Turntrans83.117.2-173.400000114.1D477 T478 L479D477-G481 PolarHBondContact O-N 2.95Å; T478-G481 WeakPolarHBondContact O-CA 3.39Å; T478-G481 PolarHBondContact O-N 2.88Å; L479-G481 VanDerWaalsContact C-N 3.33Å
482E96.8Very high97.5Very high152 Ų15228.5 Ų28.571%0.7117%0.168SC*.  trans-115.27.2-175.9-60.2-177.9167.100112.8D477 K480D477-E482 CarbonylContact O-C 3.24Å; D477-E482 WeakPolarHBondContact O-CA 3.18Å; D477-E482 PolarHBondContact O-N 2.89Å; K480-E482 HydrophobicContact CB-CG 4.39Å
483G95.6Very high97.6Very high21 Ų2129.3 Ų29.322%0.21617%0.173CC..SBendtrans-81.2176.7-177.200000114.8D477D477-G483 PolarHBondContact O-N 3.28Å
484P96.7Very high97.6Very high12 Ų1228.6 Ų28.68%0.07817%0.169CC..  trans-58.3139.9176.1-22.633.3000112.5Q464 E474 D486 L487 T488Q464-P484 HydrophobicContact CB-CG 4.2Å; Q464-P484 HydrophobicContact CG-CB 4.34Å; Q464-P484 HydrophobicContact CG-CG 3.93Å; E474-P484 HydrophobicContact CG-CG 4.07Å; E474-P484 WeakPolarHBondContact OE1-CG 3.22Å; P484-D486 VanDerWaalsContact C-N 3.34Å; P484-D486 WeakPolarHBondContact CB-OD1 3.42Å; P484-D486 PolarHBondContact O-N 3.32Å; P484-L487 HydrophobicContact CB-CB 4.25Å; P484-L487 PolarHBondContact O-N 2.83Å; P484-T488 WeakPolarHBondContact O-CB 2.9Å; P484-T488 PolarHBondContact O-N 2.98Å; P484-T488 PolarHBondContact O-OG1 3.13Å
485A95.9Very high97.6Very high82 Ų8228 Ų2868%0.67817%0.166SC*.Hα-helixtrans-65.5-36.7-175.300000112.8E489A485-E489 VanDerWaalsContact O-CB 3.32Å; A485-E489 WeakPolarHBondContact O-CB 3.47Å; A485-E489 PolarHBondContact O-N 3.45Å
486D96.1Very high97.6Very high32 Ų3228.3 Ų28.317%0.17117%0.168CC..Hα-helixtrans-67.7-45.717861.6-33.2000112.1L462 G463 P484 T488 E489 M490 K602 L645L462-D486 HydrophobicContact CD1-CB 4.4Å; G463-D486 PolarHBondContact N-OD2 3.42Å; P484-D486 VanDerWaalsContact C-N 3.34Å; P484-D486 WeakPolarHBondContact CB-OD1 3.42Å; P484-D486 PolarHBondContact O-N 3.32Å; D486-T488 VanDerWaalsContact C-N 3.35Å; D486-T488 PolarHBondContact O-N 3.38Å; D486-E489 PolarHBondContact O-N 3.36Å; D486-M490 WeakPolarHBondContact O-CB 3.19Å; D486-M490 PolarHBondContact O-N 2.96Å; D486-K602 IonicContact OD2-NZ 2.64Å; D486-K602 PolarHBondContact OD2-NZ 3.45Å; D486-L645 HydrophobicContact CB-CD1 4.28Å; D486-L645 HydrophobicContact CB-CD2 4.32Å; D486-L645 VanDerWaalsContact O-CD2 3.29Å; D486-L645 WeakPolarHBondContact O-CD2 3.49Å
487L97.4Very high97.6Very high0 Ų028.5 Ų28.50%017%0.169CC..Hα-helixtrans-61.7-44.1174.1175.261.4000111.5T309 V313 L462 E474 T478 P484 M490 C491T309-L487 HydrophobicContact CG2-CD2 3.75Å; V313-L487 HydrophobicContact CG2-CD2 4.43Å; L462-L487 HydrophobicContact CD2-CD1 3.97Å; L462-L487 HydrophobicContact CG-CD1 4.25Å; E474-L487 HydrophobicContact CG-CD2 3.81Å; T478-L487 HydrophobicContact CG2-CD2 4.47Å; T478-L487 HydrophobicContact CG2-CG 4.5Å; T478-L487 WeakPolarHBondContact OG1-CD2 3.48Å; P484-L487 HydrophobicContact CB-CB 4.25Å; P484-L487 PolarHBondContact O-N 2.83Å; L487-M490 PolarHBondContact O-N 3.5Å; L487-C491 PolarHBondContact O-N 2.94Å; L487-C491 PolarHBondContact O-SG 3.02Å
488T98.1Very high97.6Very high24 Ų2426.6 Ų26.615%0.14716%0.159CC..Hα-helixtrans-60.9-47.2178.2-570000110.9P484 D486 C491 Y492 L519P484-T488 WeakPolarHBondContact O-CB 2.9Å; P484-T488 PolarHBondContact O-N 2.98Å; P484-T488 PolarHBondContact O-OG1 3.13Å; D486-T488 VanDerWaalsContact C-N 3.35Å; D486-T488 PolarHBondContact O-N 3.38Å; T488-C491 WeakPolarHBondContact O-CB 3.44Å; T488-C491 PolarHBondContact O-N 2.85Å; T488-Y492 HydrophobicContact CG2-CD2 4.1Å; T488-Y492 HydrophobicContact CG2-CE2 3.48Å; T488-Y492 VanDerWaalsContact CG2-CE2 3.48Å; T488-Y492 WeakPolarHBondContact O-CD2 3.42Å; T488-Y492 PolarHBondContact O-N 2.96Å; T488-L519 HydrophobicContact CG2-CD2 4.08Å
489E97.8Very high97.6Very high65 Ų6526.5 Ų26.530%0.30416%0.158SC..Hα-helixtrans-63.3-42.5177.8-17757.4-157.500112.1A485 D486 C491 Y492 V493 R512 L645A485-E489 VanDerWaalsContact O-CB 3.32Å; A485-E489 WeakPolarHBondContact O-CB 3.47Å; A485-E489 PolarHBondContact O-N 3.45Å; D486-E489 PolarHBondContact O-N 3.36Å; E489-C491 VanDerWaalsContact C-N 3.28Å; E489-C491 PolarHBondContact O-N 3.04Å; E489-Y492 PolarHBondContact O-N 3.04Å; E489-Y492 VanDerWaalsContact O-N 3.14Å; E489-V493 HydrophobicContact CG-CG2 4.44Å; E489-V493 WeakPolarHBondContact O-CG2 3.4Å; E489-V493 PolarHBondContact O-N 3.38Å; E489-R512 VanDerWaalsContact CD-NH1 3.33Å; E489-R512 IonicContact OE1-CZ 2.94Å; E489-R512 IonicContact OE1-NH1 2.65Å; E489-R512 PolarHBondContact OE1-NH1 2.96Å; E489-R512 IonicContact OE1-NH2 3.57Å; E489-R512 IonicContact OE2-CZ 2.69Å; E489-R512 IonicContact OE2-NH1 3.46Å; E489-R512 PolarHBondContact OE2-NH1 2.86Å; E489-R512 VanDerWaalsContact OE2-NH1 3.15Å; E489-R512 IonicContact OE2-NH2 2.82Å; E489-R512 PolarHBondContact OE2-NH2 2.95Å; E489-L645 HydrophobicContact CB-CD2 3.89Å; E489-L645 HydrophobicContact CG-CD2 3.95Å
490M97.4Very high97.6Very high2 Ų228.2 Ų28.21%0.0117%0.169CC..Hα-helixtrans-57-43.2174.8-174.158.573.500111.6T310 L462 D486 L487 V493 L494 L645 I646T310-M490 HydrophobicContact CG2-CG 4.28Å; L462-M490 HydrophobicContact CD1-CB 4.32Å; L462-M490 HydrophobicContact CD2-CB 4.44Å; L462-M490 HydrophobicContact CD2-CG 4.12Å; D486-M490 WeakPolarHBondContact O-CB 3.19Å; D486-M490 PolarHBondContact O-N 2.96Å; L487-M490 PolarHBondContact O-N 3.5Å; M490-V493 PolarHBondContact O-N 2.99Å; M490-L494 HydrophobicContact CG-CD1 3.83Å; M490-L494 WeakPolarHBondContact O-CB 3.03Å; M490-L494 WeakPolarHBondContact O-CG 3.41Å; M490-L494 PolarHBondContact O-N 3.34Å; M490-L494 HydrophobicContact SD-CD1 3.79Å; M490-L494 HydrophobicContact SD-CG 4.11Å; M490-L645 HydrophobicContact CB-CD2 4.46Å; M490-L645 HydrophobicContact CE-CD1 3.64Å; M490-L645 HydrophobicContact CE-CD2 4.41Å; M490-L645 HydrophobicContact CE-CG 3.85Å; M490-I646 HydrophobicContact CE-CD1 3.61Å; M490-I646 HydrophobicContact SD-CD1 3.77Å
491C98.2Very high97.5Very high1 Ų125.1 Ų25.11%0.00716%0.156CC..Hα-helixtrans-64.8-38.8177-67.10000112.3V313 L314 L317 L487 T488 E489 G495V313-C491 HydrophobicContact CG1-CB 4.18Å; L314-C491 WeakPolarHBondContact CD1-O 3.39Å; L317-C491 HydrophobicContact CD2-CB 4.24Å; L487-C491 PolarHBondContact O-N 2.94Å; L487-C491 PolarHBondContact O-SG 3.02Å; T488-C491 WeakPolarHBondContact O-CB 3.44Å; T488-C491 PolarHBondContact O-N 2.85Å; E489-C491 VanDerWaalsContact C-N 3.28Å; E489-C491 PolarHBondContact O-N 3.04Å; C491-G495 WeakPolarHBondContact O-CA 3.41Å; C491-G495 PolarHBondContact O-N 2.84Å
492Y98.4Very high97.5Very high12 Ų1224 Ų245%0.04714%0.142CC..Hα-helixtrans-66.4-44.2174.6-67.8-40.5000112.4T488 E489 S496 L515 E516 L519T488-Y492 HydrophobicContact CG2-CD2 4.1Å; T488-Y492 HydrophobicContact CG2-CE2 3.48Å; T488-Y492 VanDerWaalsContact CG2-CE2 3.48Å; T488-Y492 WeakPolarHBondContact O-CD2 3.42Å; T488-Y492 PolarHBondContact O-N 2.96Å; E489-Y492 PolarHBondContact O-N 3.04Å; E489-Y492 VanDerWaalsContact O-N 3.14Å; Y492-S496 VanDerWaalsContact O-CB 3.24Å; Y492-S496 WeakPolarHBondContact O-CB 3.32Å; Y492-S496 PolarHBondContact O-N 3.44Å; Y492-S496 PolarHBondContact O-OG 3.29Å; Y492-L515 HydrophobicContact CD1-CB 3.97Å; Y492-L515 HydrophobicContact CE1-CB 4.23Å; Y492-E516 HydrophobicContact CD1-CG 4.24Å; Y492-E516 HydrophobicContact CE1-CB 4.4Å; Y492-E516 HydrophobicContact CE1-CG 3.73Å; Y492-E516 HydrophobicContact CE2-CG 4.01Å; Y492-L519 HydrophobicContact CE1-CD2 4.4Å; Y492-L519 WeakPolarHBondContact OH-CD2 3.44Å
493V98.1Very high97.5Very high17 Ų1719.9 Ų19.910%0.10314%0.141CC..Hα-helixtrans-63.2-52.2-179.11720000110.8V454 E489 M490 Q497 I646 I649V454-V493 HydrophobicContact CG1-CG1 3.86Å; V454-V493 HydrophobicContact CG2-CG1 4.09Å; E489-V493 HydrophobicContact CG-CG2 4.44Å; E489-V493 WeakPolarHBondContact O-CG2 3.4Å; E489-V493 PolarHBondContact O-N 3.38Å; M490-V493 PolarHBondContact O-N 2.99Å; V493-Q497 WeakPolarHBondContact O-CG 3.24Å; V493-Q497 PolarHBondContact O-N 3.2Å; V493-Q497 PolarHBondContact O-NE2 3.44Å; V493-I646 HydrophobicContact CB-CD1 4.47Å; V493-I646 HydrophobicContact CG1-CD1 4.17Å; V493-I646 HydrophobicContact CG1-CG1 4.4Å; V493-I646 HydrophobicContact CG2-CG1 4.24Å; V493-I649 HydrophobicContact CG1-CD1 4.11Å
494L98.3Very high97.6Very high0 Ų022.7 Ų22.70%015%0.147CC..Hα-helixtrans-67.6-43.6179.5-69.4168.1000111.9T310 L314 V416 D418 V454 M490 S496 Q497 M498T310-L494 HydrophobicContact CG2-CD1 3.57Å; L314-L494 HydrophobicContact CD1-CB 4.34Å; L314-L494 HydrophobicContact CD2-CB 3.86Å; L314-L494 HydrophobicContact CD2-CD1 4.32Å; V416-L494 HydrophobicContact CG1-CD2 3.7Å; D418-L494 HydrophobicContact CB-CD1 4.34Å; D418-L494 HydrophobicContact CB-CD2 4.09Å; V454-L494 HydrophobicContact CB-CD2 3.84Å; V454-L494 HydrophobicContact CG1-CD2 4.45Å; V454-L494 HydrophobicContact CG2-CD2 3.77Å; M490-L494 HydrophobicContact CG-CD1 3.83Å; M490-L494 WeakPolarHBondContact O-CB 3.03Å; M490-L494 WeakPolarHBondContact O-CG 3.41Å; M490-L494 PolarHBondContact O-N 3.34Å; M490-L494 HydrophobicContact SD-CD1 3.79Å; M490-L494 HydrophobicContact SD-CG 4.11Å; L494-S496 VanDerWaalsContact C-N 3.29Å; L494-S496 PolarHBondContact O-N 3.21Å; L494-Q497 WeakPolarHBondContact O-CB 3.4Å; L494-Q497 PolarHBondContact O-N 3.29Å; L494-M498 WeakPolarHBondContact O-CG 3.25Å; L494-M498 PolarHBondContact O-N 3.37Å; L494-M498 VanDerWaalsContact O-N 3.1Å
495G98.3Very high97.6Very high0 Ų022.5 Ų22.50%015%0.147CC..Hα-helixtrans-62.4-37.7179.800000112.3L314 C491 Q497 M498 V499L314-G495 VanDerWaalsContact CD1-CA 3.42Å; C491-G495 WeakPolarHBondContact O-CA 3.41Å; C491-G495 PolarHBondContact O-N 2.84Å; G495-Q497 VanDerWaalsContact C-N 3.29Å; G495-Q497 PolarHBondContact O-N 2.66Å; G495-M498 PolarHBondContact O-N 3.36Å; G495-M498 VanDerWaalsContact O-N 3.13Å; G495-V499 VanDerWaalsContact O-CG2 3.3Å; G495-V499 WeakPolarHBondContact O-CG2 3.19Å; G495-V499 PolarHBondContact O-N 3.19Å
496S98.5Very high97.7Very high5 Ų522.7 Ų22.74%0.03515%0.149CC..Hα-helixtrans-62.2-39.6177.2-60.40000111.5Y492 L494 V500 R512Y492-S496 VanDerWaalsContact O-CB 3.24Å; Y492-S496 WeakPolarHBondContact O-CB 3.32Å; Y492-S496 PolarHBondContact O-N 3.44Å; Y492-S496 PolarHBondContact O-OG 3.29Å; L494-S496 VanDerWaalsContact C-N 3.29Å; L494-S496 PolarHBondContact O-N 3.21Å; S496-V500 WeakPolarHBondContact O-CG2 3.47Å; S496-V500 PolarHBondContact O-N 3.36Å; S496-V500 VanDerWaalsContact O-N 3.11Å; S496-R512 WeakPolarHBondContact OG-CA 3.43Å; S496-R512 PolarHBondContact OG-N 2.86Å
497Q98Very high97.8Very high4 Ų424.6 Ų24.62%0.01916%0.161CC..Hα-helixtrans-62.3-46.6173.1-50.4-48.6-47.400110.9V416 M452 V454 V493 L494 G495 V499 V500 L501 L508V416-Q497 HydrophobicContact CG1-CB 4.07Å; V416-Q497 HydrophobicContact CG1-CG 4.44Å; V416-Q497 HydrophobicContact CG2-CB 3.78Å; M452-Q497 HydrophobicContact SD-CB 4.04Å; M452-Q497 HydrophobicContact SD-CG 4.49Å; M452-Q497 PolarHBondContact SD-OE1 2.99Å; V454-Q497 HydrophobicContact CG2-CG 4.07Å; V493-Q497 WeakPolarHBondContact O-CG 3.24Å; V493-Q497 PolarHBondContact O-N 3.2Å; V493-Q497 PolarHBondContact O-NE2 3.44Å; L494-Q497 WeakPolarHBondContact O-CB 3.4Å; L494-Q497 PolarHBondContact O-N 3.29Å; G495-Q497 VanDerWaalsContact C-N 3.29Å; G495-Q497 PolarHBondContact O-N 2.66Å; Q497-V499 PolarHBondContact O-N 3.11Å; Q497-V500 PolarHBondContact O-N 2.84Å; Q497-L501 WeakPolarHBondContact O-CB 3.42Å; Q497-L501 VanDerWaalsContact O-CG 3.31Å; Q497-L501 WeakPolarHBondContact O-CG 3.44Å; Q497-L501 PolarHBondContact O-N 2.85Å; Q497-L508 VanDerWaalsContact NE2-CD2 3.29Å
498M98.3Very high97.7Very high2 Ų227.8 Ų27.81%0.0118%0.178CC..Hα-helixtrans-60.2-44.7-179.3-65.8175.370.900111.9V298 K300 L314 V318 V325 V416 L494 G495 L501 A502V298-M498 HydrophobicContact CB-CB 4.38Å; V298-M498 HydrophobicContact CB-CE 3.84Å; V298-M498 HydrophobicContact CG1-CB 4.44Å; V298-M498 HydrophobicContact CG2-CB 4.37Å; V298-M498 HydrophobicContact CG2-CE 3.39Å; K300-M498 HydrophobicContact CB-SD 4.34Å; L314-M498 HydrophobicContact CD1-SD 4.11Å; L314-M498 HydrophobicContact CD2-SD 3.65Å; L314-M498 HydrophobicContact CG-SD 3.83Å; V318-M498 HydrophobicContact CB-CE 4.47Å; V318-M498 HydrophobicContact CG1-CB 4.15Å; V318-M498 HydrophobicContact CG1-CE 4.21Å; V318-M498 HydrophobicContact CG2-CB 4.21Å; V318-M498 HydrophobicContact CG2-CE 4.35Å; V318-M498 HydrophobicContact CG2-SD 4.02Å; V325-M498 HydrophobicContact CG1-CE 4.33Å; V325-M498 HydrophobicContact CG2-CE 4.2Å; V416-M498 HydrophobicContact CB-CG 3.95Å; V416-M498 HydrophobicContact CG2-CB 4.33Å; V416-M498 HydrophobicContact CG2-CG 3.47Å; V416-M498 VanDerWaalsContact CG2-CG 3.47Å; L494-M498 WeakPolarHBondContact O-CG 3.25Å; L494-M498 PolarHBondContact O-N 3.37Å; L494-M498 VanDerWaalsContact O-N 3.1Å; G495-M498 PolarHBondContact O-N 3.36Å; G495-M498 VanDerWaalsContact O-N 3.13Å; M498-L501 PolarHBondContact O-N 3.03Å; M498-A502 VanDerWaalsContact O-CB 3.31Å; M498-A502 WeakPolarHBondContact O-CB 3.42Å; M498-A502 PolarHBondContact O-N 3.21Å
499V98.5Very high97.8Very high0 Ų032.9 Ų32.90%021%0.205CC..Hα-helixtrans-67.1-38.8-179172.40000111.8V318 V321 V323 G495 Q497 G503 K504 A505 A511 L515V318-V499 HydrophobicContact CG1-CG2 4.3Å; V321-V499 HydrophobicContact CG2-CG2 3.78Å; V323-V499 HydrophobicContact CG2-CG2 4.4Å; G495-V499 VanDerWaalsContact O-CG2 3.3Å; G495-V499 WeakPolarHBondContact O-CG2 3.19Å; G495-V499 PolarHBondContact O-N 3.19Å; Q497-V499 PolarHBondContact O-N 3.11Å; V499-G503 PolarHBondContact O-N 2.7Å; V499-K504 HydrophobicContact CG1-CB 3.9Å; V499-K504 HydrophobicContact CG1-CG 4.13Å; V499-K504 PolarHBondContact O-N 3.49Å; V499-A505 HydrophobicContact CG1-CB 3.76Å; V499-A511 HydrophobicContact CB-CB 3.86Å; V499-A511 HydrophobicContact CG1-CB 3.74Å; V499-L515 HydrophobicContact CG2-CD1 4.35Å; V499-L515 HydrophobicContact CG2-CD2 4.02Å; V499-L515 HydrophobicContact CG2-CG 4.36Å
500V98Very high97.8Very high35 Ų3534.1 Ų34.121%0.21221%0.21CC..Hα-helixtrans-67.5-46.8174.3169.70000111.1S496 Q497 A502 G503 A505 T507 L508 A511S496-V500 WeakPolarHBondContact O-CG2 3.47Å; S496-V500 PolarHBondContact O-N 3.36Å; S496-V500 VanDerWaalsContact O-N 3.11Å; Q497-V500 PolarHBondContact O-N 2.84Å; V500-A502 PolarHBondContact O-N 2.86Å; V500-G503 WeakPolarHBondContact O-CA 3.3Å; V500-G503 PolarHBondContact O-N 3.37Å; V500-A505 HydrophobicContact CG2-CB 4.47Å; V500-T507 WeakPolarHBondContact CG2-O 3.42Å; V500-L508 HydrophobicContact CB-CD2 4.42Å; V500-L508 HydrophobicContact CG2-CD2 3.86Å; V500-L508 HydrophobicContact CG2-CG 4.49Å; V500-A511 HydrophobicContact CG2-CB 3.98Å
501L96.6Very high97.8Very high21 Ų2134 Ų3411%0.1121%0.21CC..Hα-helixtrans-62.5-31.1178.1-71.7-174.6000112.7A414 V416 Q450 M452 Q497 M498 G503A414-L501 HydrophobicContact CB-CB 3.78Å; A414-L501 HydrophobicContact CB-CD1 4.16Å; V416-L501 HydrophobicContact CG2-CD1 3.84Å; Q450-L501 HydrophobicContact CB-CD2 4.03Å; M452-L501 HydrophobicContact CB-CD1 4.17Å; M452-L501 HydrophobicContact CE-CD2 3.53Å; M452-L501 HydrophobicContact CE-CG 4.21Å; M452-L501 HydrophobicContact CG-CD1 3.97Å; M452-L501 HydrophobicContact CG-CD2 4.02Å; M452-L501 HydrophobicContact CG-CG 4.23Å; M452-L501 HydrophobicContact SD-CD1 4.02Å; M452-L501 HydrophobicContact SD-CD2 3.67Å; M452-L501 HydrophobicContact SD-CG 3.71Å; Q497-L501 WeakPolarHBondContact O-CB 3.42Å; Q497-L501 VanDerWaalsContact O-CG 3.31Å; Q497-L501 WeakPolarHBondContact O-CG 3.44Å; Q497-L501 PolarHBondContact O-N 2.85Å; M498-L501 PolarHBondContact O-N 3.03Å; L501-G503 PolarHBondContact O-N 3.36Å
502A96.9Very high97.9Very high16 Ų1637 Ų3713%0.13222%0.221CC..THydrogen-bonded Turntrans-73.5-6.9173.500000114V296 V298 V323 M498 V500 K504V296-A502 HydrophobicContact CB-CB 4.39Å; V298-A502 HydrophobicContact CG1-CB 3.92Å; V323-A502 HydrophobicContact CB-CB 4.25Å; V323-A502 HydrophobicContact CG1-CB 3.44Å; V323-A502 VanDerWaalsContact CG1-CB 3.44Å; V323-A502 HydrophobicContact CG2-CB 3.8Å; M498-A502 VanDerWaalsContact O-CB 3.31Å; M498-A502 WeakPolarHBondContact O-CB 3.42Å; M498-A502 PolarHBondContact O-N 3.21Å; V500-A502 PolarHBondContact O-N 2.86Å; A502-K504 PolarHBondContact O-N 3.13Å
503G96.6Very high97.9Very high66 Ų6639.1 Ų39.168%0.6824%0.241SC*.THydrogen-bonded Turntrans71.416.4-176.200000114V499 V500 L501V499-G503 PolarHBondContact O-N 2.7Å; V500-G503 WeakPolarHBondContact O-CA 3.3Å; V500-G503 PolarHBondContact O-N 3.37Å; L501-G503 PolarHBondContact O-N 3.36Å
504K97.4Very high97.9Very high80 Ų8040.5 Ų40.535%0.34825%0.247SC..SBendtrans-81.7-27-179.8-178.668.3-178.8-145.50112.5V321 D322 V323 V499 A502 M514V321-K504 WeakPolarHBondContact O-CE 3.35Å; V321-K504 PolarHBondContact O-NZ 2.87Å; V321-K504 VanDerWaalsContact O-NZ 3.11Å; D322-K504 IonicContact OD2-NZ 2.79Å; D322-K504 PolarHBondContact OD2-NZ 3.34Å; V323-K504 HydrophobicContact CG2-CB 3.63Å; V323-K504 HydrophobicContact CG2-CG 3.92Å; V499-K504 HydrophobicContact CG1-CB 3.9Å; V499-K504 HydrophobicContact CG1-CG 4.13Å; V499-K504 PolarHBondContact O-N 3.49Å; A502-K504 PolarHBondContact O-N 3.13Å; K504-M514 HydrophobicContact CD-CE 4.32Å; K504-M514 HydrophobicContact CG-CE 3.79Å
505A97.6Very high97.9Very high9 Ų940.5 Ų40.57%0.07425%0.247CC..  trans-130.8149.9172.300000110.4V499 V500 E510 A511 M514V499-A505 HydrophobicContact CG1-CB 3.76Å; V500-A505 HydrophobicContact CG2-CB 4.47Å; A505-E510 HydrophobicContact CB-CB 4.12Å; A505-E510 HydrophobicContact CB-CG 3.91Å; A505-A511 HydrophobicContact CB-CB 3.79Å; A505-M514 HydrophobicContact CB-SD 4.28Å
506A96.8Very high97.9Very high86 Ų8643.7 Ų43.771%0.71126%0.262SS*.SBendtrans-85-24179.500000113E510A506-E510 PolarHBondContact N-OE2 2.9Å
507T97.7Very high97.9Very high72 Ų7248.9 Ų48.944%0.44229%0.285SS..SBendtrans-136.2159.8-179.170.40000111.6V500 D509 E510 A511V500-T507 WeakPolarHBondContact CG2-O 3.42Å; T507-D509 VanDerWaalsContact C-N 3.28Å; T507-D509 PolarHBondContact O-N 3.43Å; T507-E510 PolarHBondContact O-N 2.97Å; T507-E510 PolarHBondContact OG1-N 2.89Å; T507-A511 WeakPolarHBondContact O-CB 3.22Å; T507-A511 PolarHBondContact O-N 3.33Å
508L97.3Very high98Very high66 Ų6648.8 Ų48.835%0.34629%0.285SS..Hα-helixtrans-63.3-34.5175.3-66.8176.3000112.4Q497 V500 A511 R512Q497-L508 VanDerWaalsContact NE2-CD2 3.29Å; V500-L508 HydrophobicContact CB-CD2 4.42Å; V500-L508 HydrophobicContact CG2-CD2 3.86Å; V500-L508 HydrophobicContact CG2-CG 4.49Å; L508-A511 PolarHBondContact O-N 2.83Å; L508-R512 VanDerWaalsContact O-CB 3.31Å; L508-R512 WeakPolarHBondContact O-CB 3.49Å; L508-R512 PolarHBondContact O-N 3Å
509D98.3Very high98Very high132 Ų13248.9 Ų48.971%0.70629%0.286SS*.Hα-helixtrans-66.3-41.5177.5-65-23000111.7T507 R512 A513T507-D509 VanDerWaalsContact C-N 3.28Å; T507-D509 PolarHBondContact O-N 3.43Å; D509-R512 PolarHBondContact O-N 3.42Å; D509-A513 WeakPolarHBondContact O-CB 3.27Å; D509-A513 PolarHBondContact O-N 3.23Å
510E98.5Very high97.9Very high90 Ų9055.6 Ų55.642%0.42132%0.317SS..Hα-helixtrans-65-45.9175-179.7-179.1-158.500110.6A505 A506 T507 R512 A513 M514A505-E510 HydrophobicContact CB-CB 4.12Å; A505-E510 HydrophobicContact CB-CG 3.91Å; A506-E510 PolarHBondContact N-OE2 2.9Å; T507-E510 PolarHBondContact O-N 2.97Å; T507-E510 PolarHBondContact OG1-N 2.89Å; E510-R512 VanDerWaalsContact C-N 3.34Å; E510-R512 PolarHBondContact O-N 2.69Å; E510-A513 PolarHBondContact O-N 3.17Å; E510-M514 HydrophobicContact CG-SD 4.46Å; E510-M514 WeakPolarHBondContact O-CG 2.95Å; E510-M514 PolarHBondContact O-N 2.78Å; E510-M514 VanDerWaalsContact O-N 3.11Å
511A98.5Very high97.9Very high0 Ų057 Ų570%033%0.328CS..Hα-helixtrans-58.2-46176.400000112.1V499 V500 A505 T507 L508 M514 L515V499-A511 HydrophobicContact CB-CB 3.86Å; V499-A511 HydrophobicContact CG1-CB 3.74Å; V500-A511 HydrophobicContact CG2-CB 3.98Å; A505-A511 HydrophobicContact CB-CB 3.79Å; T507-A511 WeakPolarHBondContact O-CB 3.22Å; T507-A511 PolarHBondContact O-N 3.33Å; L508-A511 PolarHBondContact O-N 2.83Å; A511-M514 WeakPolarHBondContact O-CB 3.49Å; A511-M514 PolarHBondContact O-N 2.83Å; A511-L515 VanDerWaalsContact O-CG 3.31Å; A511-L515 WeakPolarHBondContact O-CG 3.3Å; A511-L515 PolarHBondContact O-N 3.25Å; A511-L515 VanDerWaalsContact O-N 3.12Å
512R98.6Very high98Very high64 Ų6457.1 Ų57.124%0.24234%0.335CS..Hα-helixtrans-61.2-47.2178.3-176.3174.2-179.6114.23.9111.7E489 S496 L508 D509 E510 M514 L515 E516E489-R512 VanDerWaalsContact CD-NH1 3.33Å; E489-R512 IonicContact OE1-CZ 2.94Å; E489-R512 IonicContact OE1-NH1 2.65Å; E489-R512 PolarHBondContact OE1-NH1 2.96Å; E489-R512 IonicContact OE1-NH2 3.57Å; E489-R512 IonicContact OE2-CZ 2.69Å; E489-R512 IonicContact OE2-NH1 3.46Å; E489-R512 PolarHBondContact OE2-NH1 2.86Å; E489-R512 VanDerWaalsContact OE2-NH1 3.15Å; E489-R512 IonicContact OE2-NH2 2.82Å; E489-R512 PolarHBondContact OE2-NH2 2.95Å; S496-R512 WeakPolarHBondContact OG-CA 3.43Å; S496-R512 PolarHBondContact OG-N 2.86Å; L508-R512 VanDerWaalsContact O-CB 3.31Å; L508-R512 WeakPolarHBondContact O-CB 3.49Å; L508-R512 PolarHBondContact O-N 3Å; D509-R512 PolarHBondContact O-N 3.42Å; E510-R512 VanDerWaalsContact C-N 3.34Å; E510-R512 PolarHBondContact O-N 2.69Å; R512-M514 VanDerWaalsContact C-N 3.26Å; R512-M514 PolarHBondContact O-N 2.92Å; R512-L515 PolarHBondContact O-N 3.42Å; R512-L515 VanDerWaalsContact O-N 3.1Å; R512-E516 HydrophobicContact CG-CG 4.3Å; R512-E516 IonicContact CZ-OE1 3.68Å; R512-E516 IonicContact NE-OE1 2.94Å; R512-E516 PolarHBondContact NE-OE1 3.23Å; R512-E516 IonicContact NH2-OE1 2.66Å; R512-E516 PolarHBondContact NH2-OE1 3.39Å; R512-E516 WeakPolarHBondContact O-CG 3.43Å; R512-E516 PolarHBondContact O-N 3.16Å
513A98.7Very high98.1Very high57 Ų5761.1 Ų61.147%0.47135%0.349SS..Hα-helixtrans-58.9-38.5178.600000112.2D509 E510 E517D509-A513 WeakPolarHBondContact O-CB 3.27Å; D509-A513 PolarHBondContact O-N 3.23Å; E510-A513 PolarHBondContact O-N 3.17Å; A513-E517 WeakPolarHBondContact O-CB 3.47Å; A513-E517 PolarHBondContact O-N 2.71Å
514M98.7Very high98.1Very high45 Ų4558 Ų5822%0.22232%0.317CS..Hα-helixtrans-64.4-41.2175.2-67175.763.500112.4V321 K504 A505 E510 A511 R512 A518V321-M514 HydrophobicContact CB-CE 3.97Å; V321-M514 HydrophobicContact CG1-CB 4.12Å; V321-M514 HydrophobicContact CG1-CE 4.32Å; K504-M514 HydrophobicContact CD-CE 4.32Å; K504-M514 HydrophobicContact CG-CE 3.79Å; A505-M514 HydrophobicContact CB-SD 4.28Å; E510-M514 HydrophobicContact CG-SD 4.46Å; E510-M514 WeakPolarHBondContact O-CG 2.95Å; E510-M514 PolarHBondContact O-N 2.78Å; E510-M514 VanDerWaalsContact O-N 3.11Å; A511-M514 WeakPolarHBondContact O-CB 3.49Å; A511-M514 PolarHBondContact O-N 2.83Å; R512-M514 VanDerWaalsContact C-N 3.26Å; R512-M514 PolarHBondContact O-N 2.92Å; M514-A518 WeakPolarHBondContact O-CB 3.04Å; M514-A518 PolarHBondContact O-N 3.16Å
515L98.8Very high98.2Very high0 Ų055.1 Ų55.10%031%0.305CS..Hα-helixtrans-70.7-41.8179-62.8165.1000111.4L317 V318 V321 Y492 V499 A511 R512 A518 L519L317-L515 HydrophobicContact CD1-CB 4.41Å; L317-L515 HydrophobicContact CD1-CD2 4.31Å; L317-L515 HydrophobicContact CD2-CB 4.4Å; L317-L515 HydrophobicContact CD2-CD2 4.31Å; L317-L515 HydrophobicContact CG-CB 4.41Å; L317-L515 HydrophobicContact CG-CD2 3.78Å; V318-L515 HydrophobicContact CG2-CD2 4.22Å; V321-L515 HydrophobicContact CG2-CD2 4.27Å; Y492-L515 HydrophobicContact CD1-CB 3.97Å; Y492-L515 HydrophobicContact CE1-CB 4.23Å; V499-L515 HydrophobicContact CG2-CD1 4.35Å; V499-L515 HydrophobicContact CG2-CD2 4.02Å; V499-L515 HydrophobicContact CG2-CG 4.36Å; A511-L515 VanDerWaalsContact O-CG 3.31Å; A511-L515 WeakPolarHBondContact O-CG 3.3Å; A511-L515 PolarHBondContact O-N 3.25Å; A511-L515 VanDerWaalsContact O-N 3.12Å; R512-L515 PolarHBondContact O-N 3.42Å; R512-L515 VanDerWaalsContact O-N 3.1Å; L515-A518 PolarHBondContact O-N 2.97Å; L515-L519 PolarHBondContact O-N 3.2Å
516E98.5Very high98.2Very high68 Ų6859.8 Ų59.832%0.31833%0.325SS..Hα-helixtrans-59.7-46173.5-74.3178.8-176.900110.8Y492 R512 A518 L519 H520Y492-E516 HydrophobicContact CD1-CG 4.24Å; Y492-E516 HydrophobicContact CE1-CB 4.4Å; Y492-E516 HydrophobicContact CE1-CG 3.73Å; Y492-E516 HydrophobicContact CE2-CG 4.01Å; R512-E516 HydrophobicContact CG-CG 4.3Å; R512-E516 IonicContact CZ-OE1 3.68Å; R512-E516 IonicContact NE-OE1 2.94Å; R512-E516 PolarHBondContact NE-OE1 3.23Å; R512-E516 IonicContact NH2-OE1 2.66Å; R512-E516 PolarHBondContact NH2-OE1 3.39Å; R512-E516 WeakPolarHBondContact O-CG 3.43Å; R512-E516 PolarHBondContact O-N 3.16Å; E516-A518 VanDerWaalsContact C-N 3.33Å; E516-A518 PolarHBondContact O-N 3.36Å; E516-L519 PolarHBondContact O-N 3.14Å; E516-H520 PolarHBondContact O-N 3.11Å; E516-H520 PolarHBondContact O-ND1 3.11Å
517E98.5Very high98.3Very high114 Ų11457.1 Ų57.153%0.53330%0.298SS..Hα-helixtrans-59.6-45174.5-169.5-157.5135.500111.2A513 L519 S521 K523A513-E517 WeakPolarHBondContact O-CB 3.47Å; A513-E517 PolarHBondContact O-N 2.71Å; E517-L519 PolarHBondContact O-N 2.96Å; E517-S521 WeakPolarHBondContact O-CB 3.31Å; E517-S521 PolarHBondContact O-N 2.86Å; E517-S521 PolarHBondContact O-OG 2.92Å; E517-K523 IonicContact OE1-NZ 3.67Å; E517-K523 PolarHBondContact OE1-NZ 3.35Å
518A98.6Very high98.4Very high2 Ų253.7 Ų53.72%0.01728%0.277CS..Hα-helixtrans-65.4-36.3-177.500000113.5L317 S320 V321 M514 L515 E516 S521 K523 A524L317-A518 HydrophobicContact CD1-CB 4.17Å; S320-A518 VanDerWaalsContact OG-CB 3.3Å; S320-A518 WeakPolarHBondContact OG-CB 3.38Å; V321-A518 HydrophobicContact CG1-CB 4Å; M514-A518 WeakPolarHBondContact O-CB 3.04Å; M514-A518 PolarHBondContact O-N 3.16Å; L515-A518 PolarHBondContact O-N 2.97Å; E516-A518 VanDerWaalsContact C-N 3.33Å; E516-A518 PolarHBondContact O-N 3.36Å; A518-S521 PolarHBondContact O-OG 3.45Å; A518-K523 HydrophobicContact CB-CB 4.44Å; A518-K523 PolarHBondContact O-N 3.45Å; A518-K523 VanDerWaalsContact O-N 3.11Å; A518-A524 PolarHBondContact O-N 3.03Å
519L98.4Very high98.4Very high4 Ų451.9 Ų51.92%0.02127%0.265CS..Hα-helixtrans-67.5-56.8174.4-16377.7000110.7L317 T478 L479 T488 Y492 L515 E516 E517 S521 G522 A524L317-L519 HydrophobicContact CD1-CB 4.17Å; L317-L519 HydrophobicContact CD1-CD1 4.17Å; T478-L519 WeakPolarHBondContact O-CD1 3.44Å; L479-L519 HydrophobicContact CD2-CD1 4.22Å; T488-L519 HydrophobicContact CG2-CD2 4.08Å; Y492-L519 HydrophobicContact CE1-CD2 4.4Å; Y492-L519 WeakPolarHBondContact OH-CD2 3.44Å; L515-L519 PolarHBondContact O-N 3.2Å; E516-L519 PolarHBondContact O-N 3.14Å; E517-L519 PolarHBondContact O-N 2.96Å; L519-S521 VanDerWaalsContact C-N 3.31Å; L519-S521 PolarHBondContact O-N 3.26Å; L519-G522 PolarHBondContact O-N 3.23Å; L519-A524 HydrophobicContact CD1-CB 4.36Å
520H97.8Very high98.4Very high140 Ų14048.4 Ų48.465%0.64825%0.245SC*.Hα-helixtrans-70.7-23.9-173.6-63.999.3000113.8E516 G522E516-H520 PolarHBondContact O-N 3.11Å; E516-H520 PolarHBondContact O-ND1 3.11Å; H520-G522 VanDerWaalsContact C-N 3.28Å
521S98Very high98.4Very high64 Ų6444.1 Ų44.145%0.44823%0.225SC..THydrogen-bonded Turntrans-80.1-8.6173.9620000113.6E517 A518 L519 K523E517-S521 WeakPolarHBondContact O-CB 3.31Å; E517-S521 PolarHBondContact O-N 2.86Å; E517-S521 PolarHBondContact O-OG 2.92Å; A518-S521 PolarHBondContact O-OG 3.45Å; L519-S521 VanDerWaalsContact C-N 3.31Å; L519-S521 PolarHBondContact O-N 3.26Å; S521-K523 VanDerWaalsContact C-N 3.26Å; S521-K523 PolarHBondContact O-N 3.2Å; S521-K523 WeakPolarHBondContact OG-CD 3.35Å; S521-K523 VanDerWaalsContact OG-CG 3.31Å; S521-K523 WeakPolarHBondContact OG-CG 3.49Å
522G97.8Very high98.4Very high24 Ų2444.1 Ų44.125%0.24723%0.225CC..THydrogen-bonded Turntrans78.51.3-174.900000114.6L519 H520 A524 L525 E526L519-G522 PolarHBondContact O-N 3.23Å; H520-G522 VanDerWaalsContact C-N 3.28Å; G522-A524 VanDerWaalsContact C-N 3.27Å; G522-A524 PolarHBondContact O-N 3.46Å; G522-L525 PolarHBondContact O-N 3.18Å; G522-E526 PolarHBondContact O-N 3.35Å
523K98.3Very high98.3Very high100 Ų10047 Ų4744%0.43524%0.239SC..Hα-helixtrans-58.2-39.8176.9-72.4172.1-174.9168.20111.7E517 A518 S521 E526 K527E517-K523 IonicContact OE1-NZ 3.67Å; E517-K523 PolarHBondContact OE1-NZ 3.35Å; A518-K523 HydrophobicContact CB-CB 4.44Å; A518-K523 PolarHBondContact O-N 3.45Å; A518-K523 VanDerWaalsContact O-N 3.11Å; S521-K523 VanDerWaalsContact C-N 3.26Å; S521-K523 PolarHBondContact O-N 3.2Å; S521-K523 WeakPolarHBondContact OG-CD 3.35Å; S521-K523 VanDerWaalsContact OG-CG 3.31Å; S521-K523 WeakPolarHBondContact OG-CG 3.49Å; K523-E526 PolarHBondContact O-N 3.38Å; K523-K527 WeakPolarHBondContact O-CB 3.43Å; K523-K527 PolarHBondContact O-N 2.79Å
524A98.4Very high98.3Very high0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-64.9-41.4177.700000112.2L317 L479 A518 L519 G522 K527 F528L317-A524 HydrophobicContact CB-CB 4.35Å; L317-A524 HydrophobicContact CD1-CB 3.66Å; L479-A524 HydrophobicContact CD2-CB 3.63Å; A518-A524 PolarHBondContact O-N 3.03Å; L519-A524 HydrophobicContact CD1-CB 4.36Å; G522-A524 VanDerWaalsContact C-N 3.27Å; G522-A524 PolarHBondContact O-N 3.46Å; A524-K527 WeakPolarHBondContact O-CB 3.37Å; A524-K527 PolarHBondContact O-N 2.66Å; A524-F528 PolarHBondContact O-N 2.62Å
525L98.5Very high98.2Very high20 Ų2044.1 Ų44.111%0.10522%0.217CC..Hα-helixtrans-65.2-42.8175.7-174.469000112I476 L479 K480 G522 K527 F528 R529 I542I476-L525 HydrophobicContact CG2-CD1 4.33Å; L479-L525 HydrophobicContact CB-CB 4.17Å; L479-L525 HydrophobicContact CB-CD1 3.76Å; K480-L525 HydrophobicContact CG-CD1 4.38Å; K480-L525 HydrophobicContact CG-CD2 3.8Å; G522-L525 PolarHBondContact O-N 3.18Å; L525-K527 VanDerWaalsContact C-N 3.29Å; L525-K527 PolarHBondContact O-N 3.12Å; L525-F528 PolarHBondContact O-N 3.21Å; L525-R529 PolarHBondContact O-N 3.05Å; L525-I542 HydrophobicContact CD1-CG2 3.74Å; L525-I542 HydrophobicContact CG-CG2 4.26Å
526E98.4Very high98.2Very high107 Ų10746.1 Ų46.150%0.524%0.237SC..Hα-helixtrans-62.3-38.7174-68.6-52.4136.400111.8G522 K523 R529 E530G522-E526 PolarHBondContact O-N 3.35Å; K523-E526 PolarHBondContact O-N 3.38Å; E526-R529 WeakPolarHBondContact O-CB 3.12Å; E526-R529 PolarHBondContact O-N 3.08Å; E526-R529 IonicContact OE1-CZ 2.88Å; E526-R529 IonicContact OE1-NH1 3.86Å; E526-R529 PolarHBondContact OE1-NH1 3.09Å; E526-R529 IonicContact OE2-CZ 3.88Å; E526-R529 IonicContact OE2-NH1 3.92Å; E526-R529 PolarHBondContact OE2-NH1 2.86Å; E526-E530 PolarHBondContact O-N 3.06Å
527K98.5Very high98.1Very high30 Ų3043.3 Ų43.313%0.1323%0.226CC..Hα-helixtrans-64.9-39.2175.7-175.857.460.9-179.60112P316 A319 S365 V367 K523 A524 L525 E530 M531P316-K527 HydrophobicContact CB-CB 4.2Å; P316-K527 HydrophobicContact CB-CG 4.04Å; P316-K527 VanDerWaalsContact O-CG 3.3Å; P316-K527 WeakPolarHBondContact O-CG 3.27Å; A319-K527 HydrophobicContact CB-CD 4.15Å; A319-K527 HydrophobicContact CB-CG 3.96Å; S365-K527 VanDerWaalsContact O-CD 3.27Å; S365-K527 WeakPolarHBondContact O-CD 3.28Å; S365-K527 WeakPolarHBondContact O-CE 3.47Å; S365-K527 PolarHBondContact O-NZ 3.32Å; V367-K527 HydrophobicContact CG1-CD 4.02Å; V367-K527 HydrophobicContact CG1-CG 4.28Å; K523-K527 WeakPolarHBondContact O-CB 3.43Å; K523-K527 PolarHBondContact O-N 2.79Å; A524-K527 WeakPolarHBondContact O-CB 3.37Å; A524-K527 PolarHBondContact O-N 2.66Å; L525-K527 VanDerWaalsContact C-N 3.29Å; L525-K527 PolarHBondContact O-N 3.12Å; K527-E530 WeakPolarHBondContact CE-OE2 3.36Å; K527-E530 IonicContact NZ-OE2 3.78Å; K527-E530 PolarHBondContact NZ-OE2 3.48Å; K527-E530 PolarHBondContact O-N 2.8Å; K527-M531 WeakPolarHBondContact O-CB 3.16Å; K527-M531 PolarHBondContact O-N 2.99Å
528F98.5Very high98.1Very high0 Ų040.6 Ų40.60%022%0.215CC..Hα-helixtrans-63.1-42.3171.9-176.2-114.8000111.6P316 F343 I346 I476 L479 A524 L525 E530 M531 V532 I542P316-F528 HydrophobicContact CB-CB 3.79Å; P316-F528 HydrophobicContact CB-CD2 4.4Å; P316-F528 HydrophobicContact CG-CB 3.92Å; P316-F528 HydrophobicContact CG-CD2 3.9Å; P316-F528 HydrophobicContact CG-CG 4.33Å; F343-F528 AromaticContact CE1-CE2 3.95Å; F343-F528 HydrophobicContact CE1-CE2 3.95Å; I346-F528 HydrophobicContact CD1-CZ 4.15Å; I476-F528 HydrophobicContact CD1-CE1 4.27Å; I476-F528 HydrophobicContact CG1-CD1 4.26Å; I476-F528 HydrophobicContact CG1-CE1 3.69Å; L479-F528 HydrophobicContact CD1-CB 3.59Å; L479-F528 HydrophobicContact CD1-CD1 3.97Å; L479-F528 HydrophobicContact CD1-CD2 4.19Å; L479-F528 HydrophobicContact CD1-CG 3.66Å; A524-F528 PolarHBondContact O-N 2.62Å; L525-F528 PolarHBondContact O-N 3.21Å; F528-E530 VanDerWaalsContact C-N 3.32Å; F528-E530 PolarHBondContact O-N 3.04Å; F528-M531 PolarHBondContact O-N 3.42Å; F528-V532 HydrophobicContact CD1-CG2 4.39Å; F528-V532 HydrophobicContact CD2-CG2 4.42Å; F528-V532 HydrophobicContact CE1-CG2 4.08Å; F528-V532 HydrophobicContact CE2-CG2 4.15Å; F528-V532 HydrophobicContact CZ-CG2 3.96Å; F528-V532 WeakPolarHBondContact O-CG2 3.2Å; F528-V532 PolarHBondContact O-N 3.5Å; F528-I542 HydrophobicContact CD1-CD1 3.7Å; F528-I542 HydrophobicContact CD1-CG1 3.99Å; F528-I542 HydrophobicContact CE1-CD1 4.06Å; F528-I542 HydrophobicContact CE1-CG1 3.97Å
529R98.4Very high98Very high29 Ų2941 Ų4111%0.10922%0.219CC..Hα-helixtrans-60.4-40174.4-170.2-179.9-69.999.8-5.2112.6L525 E526 K533 A539 I542 D543L525-R529 PolarHBondContact O-N 3.05Å; E526-R529 WeakPolarHBondContact O-CB 3.12Å; E526-R529 PolarHBondContact O-N 3.08Å; E526-R529 IonicContact OE1-CZ 2.88Å; E526-R529 IonicContact OE1-NH1 3.86Å; E526-R529 PolarHBondContact OE1-NH1 3.09Å; E526-R529 IonicContact OE2-CZ 3.88Å; E526-R529 IonicContact OE2-NH1 3.92Å; E526-R529 PolarHBondContact OE2-NH1 2.86Å; R529-K533 WeakPolarHBondContact O-CG 3.18Å; R529-K533 PolarHBondContact O-N 3.03Å; R529-A539 HydrophobicContact CG-CB 4Å; R529-I542 HydrophobicContact CB-CD1 3.61Å; R529-I542 HydrophobicContact CG-CD1 3.88Å; R529-D543 IonicContact CZ-OD1 3.96Å; R529-D543 IonicContact NE-OD2 3.91Å; R529-D543 IonicContact NH2-OD1 2.7Å; R529-D543 PolarHBondContact NH2-OD1 2.82Å; R529-D543 IonicContact NH2-OD2 3.84Å
530E98.1Very high97.9Very high59 Ų5943.5 Ų43.528%0.27623%0.234SC..Hα-helixtrans-64.2-49.7174.2-176.9176.3-158.200111.6S365 E526 K527 F528 V532 K533 D534S365-E530 PolarHBondContact OG-OE1 2.92Å; E526-E530 PolarHBondContact O-N 3.06Å; K527-E530 WeakPolarHBondContact CE-OE2 3.36Å; K527-E530 IonicContact NZ-OE2 3.78Å; K527-E530 PolarHBondContact NZ-OE2 3.48Å; K527-E530 PolarHBondContact O-N 2.8Å; F528-E530 VanDerWaalsContact C-N 3.32Å; F528-E530 PolarHBondContact O-N 3.04Å; E530-V532 PolarHBondContact O-N 3.45Å; E530-K533 PolarHBondContact O-N 3.26Å; E530-D534 WeakPolarHBondContact O-CB 3.28Å; E530-D534 PolarHBondContact O-N 3.34Å
531M98.1Very high97.9Very high0 Ų036.9 Ų36.90%020%0.203CC..Hα-helixtrans-55.3-48.6177.1-178.7-173.4162.200112.1F343 F349 V367 V369 K527 F528 K533 D534 Q535F343-M531 HydrophobicContact CD1-CE 4.4Å; F343-M531 HydrophobicContact CE1-CE 3.54Å; F343-M531 HydrophobicContact CE1-SD 4.45Å; F343-M531 HydrophobicContact CE2-CE 4.18Å; F343-M531 HydrophobicContact CZ-CE 3.42Å; F343-M531 VanDerWaalsContact CZ-CE 3.42Å; F343-M531 HydrophobicContact CZ-SD 4.42Å; F349-M531 HydrophobicContact CE2-CE 4.44Å; F349-M531 HydrophobicContact CZ-CE 3.97Å; V367-M531 HydrophobicContact CG1-CB 3.77Å; V367-M531 HydrophobicContact CG1-CG 3.95Å; V367-M531 HydrophobicContact CG1-SD 4.18Å; V367-M531 HydrophobicContact CG2-CE 4.39Å; V367-M531 HydrophobicContact CG2-CG 4.24Å; V367-M531 HydrophobicContact CG2-SD 3.57Å; V367-M531 VanDerWaalsContact CG2-SD 3.57Å; V369-M531 HydrophobicContact CB-CE 3.64Å; V369-M531 HydrophobicContact CG2-CE 3.45Å; V369-M531 VanDerWaalsContact CG2-CE 3.45Å; K527-M531 WeakPolarHBondContact O-CB 3.16Å; K527-M531 PolarHBondContact O-N 2.99Å; F528-M531 PolarHBondContact O-N 3.42Å; M531-K533 VanDerWaalsContact C-N 3.34Å; M531-K533 PolarHBondContact O-N 3.22Å; M531-D534 PolarHBondContact O-N 2.95Å; M531-Q535 PolarHBondContact O-N 3.4Å
532V98.1Very high97.9Very high0 Ų033.8 Ų33.80%018%0.182CC..Hα-helixtrans-59-45.4178.6170.70000110.8I346 F349 F528 E530 G536 G537 A539 I542I346-V532 HydrophobicContact CD1-CG2 3.87Å; I346-V532 HydrophobicContact CG2-CG1 3.97Å; F349-V532 HydrophobicContact CE2-CG2 4.42Å; F528-V532 HydrophobicContact CD1-CG2 4.39Å; F528-V532 HydrophobicContact CD2-CG2 4.42Å; F528-V532 HydrophobicContact CE1-CG2 4.08Å; F528-V532 HydrophobicContact CE2-CG2 4.15Å; F528-V532 HydrophobicContact CZ-CG2 3.96Å; F528-V532 WeakPolarHBondContact O-CG2 3.2Å; F528-V532 PolarHBondContact O-N 3.5Å; E530-V532 PolarHBondContact O-N 3.45Å; V532-G536 PolarHBondContact O-N 3.07Å; V532-G537 WeakPolarHBondContact O-CA 3.33Å; V532-G537 PolarHBondContact O-N 3.33Å; V532-A539 HydrophobicContact CG1-CB 4.1Å; V532-I542 HydrophobicContact CG2-CD1 4.39Å
533K98.1Very high97.8Very high125 Ų12537.9 Ų37.954%0.54320%0.198SC..Hα-helixtrans-64.7-44177.8-73177.2-178173.50112.6R529 E530 M531 Q535 G536 A539R529-K533 WeakPolarHBondContact O-CG 3.18Å; R529-K533 PolarHBondContact O-N 3.03Å; E530-K533 PolarHBondContact O-N 3.26Å; M531-K533 VanDerWaalsContact C-N 3.34Å; M531-K533 PolarHBondContact O-N 3.22Å; K533-Q535 VanDerWaalsContact C-N 3.28Å; K533-Q535 PolarHBondContact O-N 3.28Å; K533-G536 WeakPolarHBondContact O-CA 3.26Å; K533-G536 PolarHBondContact O-N 3.48Å; K533-A539 HydrophobicContact CD-CB 4.21Å; K533-A539 HydrophobicContact CG-CB 3.54Å
534D97.7Very high97.7Very high40 Ų4037.5 Ų37.521%0.21420%0.198CC..Hα-helixtrans-68.9-30.7-175.4-74.9-8.9000112.2I361 K364 S365 E530 M531 G536I361-D534 HydrophobicContact CD1-CB 4.48Å; I361-D534 WeakPolarHBondContact CD1-O 3.26Å; I361-D534 HydrophobicContact CG1-CB 4.41Å; I361-D534 HydrophobicContact CG2-CB 4.08Å; K364-D534 IonicContact NZ-OD1 3.82Å; K364-D534 PolarHBondContact NZ-OD1 3.1Å; K364-D534 IonicContact NZ-OD2 2.75Å; K364-D534 PolarHBondContact NZ-OD2 3.19Å; S365-D534 PolarHBondContact OG-OD2 2.85Å; E530-D534 WeakPolarHBondContact O-CB 3.28Å; E530-D534 PolarHBondContact O-N 3.34Å; M531-D534 PolarHBondContact O-N 2.95Å; D534-G536 VanDerWaalsContact C-N 3.29Å
535Q97.6Very high97.5Very high1 Ų139 Ų391%0.00521%0.207CC..THydrogen-bonded Turntrans-89.213.4169.8-63.7-168.3-12000113.1F349 K350 L353 I361 V369 M531 K533 G537F349-Q535 HydrophobicContact CD2-CB 4.18Å; F349-Q535 HydrophobicContact CE1-CB 4.11Å; F349-Q535 VanDerWaalsContact CE1-NE2 3.34Å; F349-Q535 HydrophobicContact CE2-CB 3.75Å; F349-Q535 HydrophobicContact CE2-CG 4.45Å; F349-Q535 HydrophobicContact CZ-CB 3.71Å; F349-Q535 HydrophobicContact CZ-CG 4.09Å; K350-Q535 VanDerWaalsContact CB-O 3.31Å; K350-Q535 WeakPolarHBondContact CB-O 3.25Å; K350-Q535 WeakPolarHBondContact CG-O 3.23Å; K350-Q535 PolarHBondContact N-O 2.95Å; K350-Q535 PolarHBondContact O-NE2 3.28Å; L353-Q535 HydrophobicContact CD1-CG 4.43Å; I361-Q535 HydrophobicContact CD1-CG 4.36Å; V369-Q535 PolarHBondContact O-NE2 3.14Å; M531-Q535 PolarHBondContact O-N 3.4Å; K533-Q535 VanDerWaalsContact C-N 3.28Å; K533-Q535 PolarHBondContact O-N 3.28Å; Q535-G537 VanDerWaalsContact C-N 3.34Å; Q535-G537 PolarHBondContact O-N 3.44Å
536G97.2Very high97.3Very high41 Ų4143.3 Ų43.342%0.42323%0.23SC..THydrogen-bonded Turntrans80.14.3170.300000116.5G348 V532 K533 D534G348-G536 CarbonylContact C-O 3.56Å; G348-G536 CarbonylContact O-C 3.49Å; G348-G536 VanDerWaalsContact O-C 3.27Å; G348-G536 VanDerWaalsContact O-O 3.06Å; V532-G536 PolarHBondContact O-N 3.07Å; K533-G536 WeakPolarHBondContact O-CA 3.26Å; K533-G536 PolarHBondContact O-N 3.48Å; D534-G536 VanDerWaalsContact C-N 3.29Å
537G97.5Very high97.1Very high9 Ų942.3 Ų42.39%0.09322%0.224CC..  trans-73.6155.7177.200000113.8P347 V532 Q535 A539P347-G537 CarbonylContact O-C 3.6Å; P347-G537 WeakPolarHBondContact O-CA 3.35Å; V532-G537 WeakPolarHBondContact O-CA 3.33Å; V532-G537 PolarHBondContact O-N 3.33Å; Q535-G537 VanDerWaalsContact C-N 3.34Å; Q535-G537 PolarHBondContact O-N 3.44Å; G537-A539 PolarHBondContact O-N 2.97Å
538D97.7Very high96.9Very high58 Ų5841.1 Ų41.131%0.3122%0.219SC..  trans-72.892.9174.9-176.93.5000111.1P347 T540 V541P347-D538 HydrophobicContact CB-CB 4.38Å; P347-D538 PolarHBondContact O-N 3.3Å; D538-T540 PolarHBondContact O-N 2.89Å; D538-T540 VanDerWaalsContact OD1-CB 3.27Å; D538-T540 WeakPolarHBondContact OD1-CB 3.47Å; D538-T540 WeakPolarHBondContact OD1-CG2 3.23Å; D538-T540 PolarHBondContact OD1-N 3.38Å; D538-T540 PolarHBondContact OD1-OG1 3.14Å; D538-T540 PolarHBondContact OD2-OG1 3.4Å; D538-V541 HydrophobicContact CB-CG1 4.46Å; D538-V541 WeakPolarHBondContact O-CG1 3.41Å; D538-V541 VanDerWaalsContact O-CG2 3.26Å; D538-V541 WeakPolarHBondContact O-CG2 3.49Å; D538-V541 PolarHBondContact O-N 3.21Å
539A97Very high96.7Very high10 Ų1043.7 Ų43.78%0.08323%0.233CC..G310 helixtrans-63.3-1017800000115R529 V532 K533 G537 V541 I542R529-A539 HydrophobicContact CG-CB 4Å; V532-A539 HydrophobicContact CG1-CB 4.1Å; K533-A539 HydrophobicContact CD-CB 4.21Å; K533-A539 HydrophobicContact CG-CB 3.54Å; G537-A539 PolarHBondContact O-N 2.97Å; A539-V541 PolarHBondContact O-N 3.2Å; A539-I542 WeakPolarHBondContact O-CB 3.48Å; A539-I542 PolarHBondContact O-N 3.36Å
540T97.4Very high96.6Very high57 Ų5746.5 Ų46.535%0.3525%0.253SS..G310 helixtrans-68.9-18.1175.269.50000112.6D538 I542 D543 Q544 K547D538-T540 PolarHBondContact O-N 2.89Å; D538-T540 VanDerWaalsContact OD1-CB 3.27Å; D538-T540 WeakPolarHBondContact OD1-CB 3.47Å; D538-T540 WeakPolarHBondContact OD1-CG2 3.23Å; D538-T540 PolarHBondContact OD1-N 3.38Å; D538-T540 PolarHBondContact OD1-OG1 3.14Å; D538-T540 PolarHBondContact OD2-OG1 3.4Å; T540-I542 PolarHBondContact O-N 3.37Å; T540-D543 PolarHBondContact O-N 3.29Å; T540-Q544 WeakPolarHBondContact O-CB 3.19Å; T540-Q544 PolarHBondContact O-N 3.08Å; T540-K547 PolarHBondContact OG1-NZ 2.92Å
541V96.6Very high96.4Very high0 Ų044.6 Ų44.60%025%0.248CC..G310 helixtrans-62.8-22.9174.5-55.20000112.9I346 D538 A539 D543 Q544 T545 K547 I548I346-V541 HydrophobicContact CG1-CG2 4.4Å; I346-V541 HydrophobicContact CG2-CG2 4.15Å; D538-V541 HydrophobicContact CB-CG1 4.46Å; D538-V541 WeakPolarHBondContact O-CG1 3.41Å; D538-V541 VanDerWaalsContact O-CG2 3.26Å; D538-V541 WeakPolarHBondContact O-CG2 3.49Å; D538-V541 PolarHBondContact O-N 3.21Å; A539-V541 PolarHBondContact O-N 3.2Å; V541-D543 VanDerWaalsContact C-N 3.31Å; V541-D543 PolarHBondContact O-N 3.46Å; V541-Q544 CarbonylContact O-C 3.18Å; V541-Q544 VanDerWaalsContact O-C 3.24Å; V541-Q544 PolarHBondContact O-N 2.88Å; V541-T545 WeakPolarHBondContact O-CA 3.41Å; V541-T545 WeakPolarHBondContact O-CG2 3.44Å; V541-T545 PolarHBondContact O-N 3.05Å; V541-T545 VanDerWaalsContact O-N 3.16Å; V541-K547 HydrophobicContact CG1-CB 4.31Å; V541-I548 HydrophobicContact CB-CG2 4.28Å; V541-I548 HydrophobicContact CG1-CG2 3.79Å
542I97.4Very high96.3Very high0 Ų051.9 Ų51.90%028%0.279CS..G310 helixtrans-68-35.7179.2-62.9171000111.1I476 L525 F528 R529 V532 A539 T540I476-I542 HydrophobicContact CD1-CG1 4.33Å; I476-I542 HydrophobicContact CG1-CG1 4.45Å; I476-I542 HydrophobicContact CG2-CG2 4.27Å; L525-I542 HydrophobicContact CD1-CG2 3.74Å; L525-I542 HydrophobicContact CG-CG2 4.26Å; F528-I542 HydrophobicContact CD1-CD1 3.7Å; F528-I542 HydrophobicContact CD1-CG1 3.99Å; F528-I542 HydrophobicContact CE1-CD1 4.06Å; F528-I542 HydrophobicContact CE1-CG1 3.97Å; R529-I542 HydrophobicContact CB-CD1 3.61Å; R529-I542 HydrophobicContact CG-CD1 3.88Å; V532-I542 HydrophobicContact CG2-CD1 4.39Å; A539-I542 WeakPolarHBondContact O-CB 3.48Å; A539-I542 PolarHBondContact O-N 3.36Å; T540-I542 PolarHBondContact O-N 3.37Å
543D96.8Very high96.3Very high110 Ų11056.7 Ų56.759%0.58830%0.298SS*.THydrogen-bonded Turntrans-95.3-15.8178.5-50.2-52.9000111.7R529 T540 V541R529-D543 IonicContact CZ-OD1 3.96Å; R529-D543 IonicContact NE-OD2 3.91Å; R529-D543 IonicContact NH2-OD1 2.7Å; R529-D543 PolarHBondContact NH2-OD1 2.82Å; R529-D543 IonicContact NH2-OD2 3.84Å; T540-D543 PolarHBondContact O-N 3.29Å; V541-D543 VanDerWaalsContact C-N 3.31Å; V541-D543 PolarHBondContact O-N 3.46Å
544Q95.7Very high96.2Very high91 Ų9156.7 Ų56.743%0.42530%0.3SS..  trans-137.770.6-176.1-57-172.4-59.200110.5T540 V541 D546 K547T540-Q544 WeakPolarHBondContact O-CB 3.19Å; T540-Q544 PolarHBondContact O-N 3.08Å; V541-Q544 CarbonylContact O-C 3.18Å; V541-Q544 VanDerWaalsContact O-C 3.24Å; V541-Q544 PolarHBondContact O-N 2.88Å; Q544-D546 VanDerWaalsContact C-OD1 3.26Å; Q544-D546 WeakPolarHBondContact CA-OD1 3.05Å; Q544-D546 PolarHBondContact O-N 3.32Å; Q544-K547 HydrophobicContact CB-CD 4.19Å; Q544-K547 HydrophobicContact CB-CG 4.23Å; Q544-K547 WeakPolarHBondContact O-CB 3.34Å; Q544-K547 WeakPolarHBondContact O-CG 3.26Å; Q544-K547 PolarHBondContact O-N 2.77Å
545T94.8Very high96.2Very high33 Ų3356.9 Ų56.920%0.20230%0.301CS..G310 helixtrans-65.1-22-175.746.50000113.2V473 I476 V541 K547 I548V473-T545 HydrophobicContact CB-CG2 4.46Å; V473-T545 HydrophobicContact CG1-CG2 4.13Å; V473-T545 HydrophobicContact CG2-CG2 4.01Å; I476-T545 HydrophobicContact CD1-CG2 3.84Å; I476-T545 HydrophobicContact CG2-CG2 4.23Å; V541-T545 WeakPolarHBondContact O-CA 3.41Å; V541-T545 WeakPolarHBondContact O-CG2 3.44Å; V541-T545 PolarHBondContact O-N 3.05Å; V541-T545 VanDerWaalsContact O-N 3.16Å; T545-K547 PolarHBondContact O-N 3.39Å; T545-K547 VanDerWaalsContact O-N 3.12Å; T545-I548 VanDerWaalsContact O-CG1 3.25Å; T545-I548 WeakPolarHBondContact O-CG1 3.25Å; T545-I548 PolarHBondContact O-N 3.42Å
546D93.9Very high96.2Very high110 Ų11061.3 Ų61.359%0.58832%0.321SS*.G310 helixtrans-57.4-24.3174.360.5-63.8000113.3Q544 I548 L549Q544-D546 VanDerWaalsContact C-OD1 3.26Å; Q544-D546 WeakPolarHBondContact CA-OD1 3.05Å; Q544-D546 PolarHBondContact O-N 3.32Å; D546-I548 VanDerWaalsContact C-N 3.25Å; D546-I548 PolarHBondContact O-N 2.96Å; D546-L549 PolarHBondContact O-N 2.94Å
547K93.6Very high96.2Very high85 Ų8559.4 Ų59.437%0.3730%0.301SS..G310 helixtrans-63.6-27.1178.2-71.5-175.5178.81760114.6T540 V541 Q544 T545 T550T540-K547 PolarHBondContact OG1-NZ 2.92Å; V541-K547 HydrophobicContact CG1-CB 4.31Å; Q544-K547 HydrophobicContact CB-CD 4.19Å; Q544-K547 HydrophobicContact CB-CG 4.23Å; Q544-K547 WeakPolarHBondContact O-CB 3.34Å; Q544-K547 WeakPolarHBondContact O-CG 3.26Å; Q544-K547 PolarHBondContact O-N 2.77Å; T545-K547 PolarHBondContact O-N 3.39Å; T545-K547 VanDerWaalsContact O-N 3.12Å; K547-T550 WeakPolarHBondContact O-CG2 3.49Å
548I95Very high96.2Very high5 Ų561.4 Ų61.43%0.02631%0.313CS..THydrogen-bonded Turntrans-106-10.7-178.861169.4000112.5S469 I472 V473 V541 T545 D546 T550S469-I548 WeakPolarHBondContact CB-O 3.43Å; S469-I548 PolarHBondContact OG-O 2.86Å; I472-I548 HydrophobicContact CB-CD1 3.86Å; I472-I548 HydrophobicContact CG2-CD1 3.51Å; V473-I548 HydrophobicContact CG2-CD1 3.9Å; V473-I548 HydrophobicContact CG2-CG1 4.09Å; V541-I548 HydrophobicContact CB-CG2 4.28Å; V541-I548 HydrophobicContact CG1-CG2 3.79Å; T545-I548 VanDerWaalsContact O-CG1 3.25Å; T545-I548 WeakPolarHBondContact O-CG1 3.25Å; T545-I548 PolarHBondContact O-N 3.42Å; D546-I548 VanDerWaalsContact C-N 3.25Å; D546-I548 PolarHBondContact O-N 2.96Å; I548-T550 PolarHBondContact O-N 3.48Å
549L94.9Very high96.2Very high54 Ų5458.8 Ų58.828%0.28330%0.299SS..  trans-88.672.6173.6-63.2-179.1000110.5L470 V473 D546L470-L549 HydrophobicContact CD2-CD2 3.67Å; V473-L549 HydrophobicContact CG2-CD1 4.11Å; V473-L549 HydrophobicContact CG2-CD2 3.87Å; V473-L549 HydrophobicContact CG2-CG 3.93Å; D546-L549 PolarHBondContact O-N 2.94Å
550T95Very high96.2Very high88 Ų8864.5 Ų64.554%0.5432%0.322SS..  trans-105.519.6-170.362.50000114.5K547 I548 A594K547-T550 WeakPolarHBondContact O-CG2 3.49Å; I548-T550 PolarHBondContact O-N 3.48Å; T550-A594 WeakPolarHBondContact OG1-CB 3.43Å
551A95.4Very high96.1Very high19 Ų1965.3 Ų65.316%0.15733%0.327CS..  trans-61.5142.7177.100000110.9A594 Y617A551-A594 WeakPolarHBondContact CB-O 3.26Å; A551-Y617 HydrophobicContact CB-CD1 3.91Å; A551-Y617 HydrophobicContact CB-CG 4.41Å
552K95.9Very high96.2Very high153 Ų15369 Ų6967%0.66535%0.354SS*.SBendtrans-74.1-30.8177.2-71172.6-171.7167.80113.2A618 N619K552-A618 PolarHBondContact N-O 3.19Å; K552-N619 WeakPolarHBondContact CG-OD1 3.39Å; K552-N619 PolarHBondContact N-OD1 3.43Å
553Y96.9Very high96.2Very high101 Ų10169.7 Ų69.740%0.39636%0.36SS..EExtended strand (participates in β ladder)trans-130134.7-175.6-54.9-73.5000110.4Y617 A618 N621Y553-Y617 WeakPolarHBondContact O-CA 3.14Å; Y553-A618 PolarHBondContact N-O 3.07Å; Y553-A618 PolarHBondContact O-N 2.79Å; Y553-N621 HydrophobicContact CE2-CB 4.27Å
554E96.5Very high96.3Very high126 Ų12667.6 Ų67.659%0.58935%0.345SS*.EExtended strand (participates in β ladder)trans-114.2111.5166.5-69.1176.5-151.300106.7T615 I616 Y617E554-T615 HydrophobicContact CB-CG2 3.9Å; E554-T615 HydrophobicContact CG-CG2 4.44Å; E554-I616 WeakPolarHBondContact CA-O 3.21Å; E554-Y617 HydrophobicContact CG-CD1 3.9Å; E554-Y617 HydrophobicContact CG-CE1 3.66Å
555I97.1Very high96.3Very high44 Ų4463.3 Ų63.323%0.22633%0.325CS..EExtended strand (participates in β ladder)trans-118.3115-172.6-55.7166.3000108.5I616 I623I555-I616 HydrophobicContact CB-CB 4.38Å; I555-I616 PolarHBondContact N-O 2.86Å; I555-I616 PolarHBondContact O-N 3.37Å; I555-I623 HydrophobicContact CB-CD1 4.08Å; I555-I623 HydrophobicContact CD1-CD1 3.43Å; I555-I623 VanDerWaalsContact CD1-CD1 3.43Å; I555-I623 HydrophobicContact CD1-CG1 4.04Å; I555-I623 HydrophobicContact CG1-CD1 4.34Å; I555-I623 HydrophobicContact CG2-CD1 3.89Å
556E97.6Very high96.4Very high93 Ų9363.6 Ų63.644%0.43533%0.326SS..EExtended strand (participates in β ladder)trans-75.2134.9178.3-62.6-59.3137.200111P558 H600 S612 T615E556-P558 VanDerWaalsContact O-CD 3.26Å; E556-P558 WeakPolarHBondContact O-CD 3.26Å; E556-H600 IonicContact OE2-CD2 3.95Å; E556-H600 IonicContact OE2-NE2 2.69Å; E556-H600 PolarHBondContact OE2-NE2 3.29Å; E556-S612 WeakPolarHBondContact OE2-CB 3.26Å; E556-S612 PolarHBondContact OE2-OG 3.18Å; E556-T615 VanDerWaalsContact CD-OG1 3.27Å; E556-T615 WeakPolarHBondContact OE1-CG2 3.28Å; E556-T615 PolarHBondContact OE1-OG1 2.81Å; E556-T615 PolarHBondContact OE2-OG1 3.48Å
557L97.4Very high96.4Very high1 Ų161 Ų611%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-103.798174.5-166.177.2000109.9L613 L614 I616 E627 L630 Y631 I634L557-L613 PolarHBondContact O-N 3.44Å; L557-L614 HydrophobicContact CB-CD1 3.56Å; L557-L614 HydrophobicContact CB-CG 3.94Å; L557-L614 HydrophobicContact CD2-CD1 3.93Å; L557-L614 HydrophobicContact CD2-CD2 4.13Å; L557-L614 HydrophobicContact CD2-CG 4.02Å; L557-L614 HydrophobicContact CG-CD1 4.37Å; L557-L614 PolarHBondContact N-O 3.13Å; L557-I616 HydrophobicContact CD1-CD1 4.48Å; L557-E627 HydrophobicContact CD1-CB 4.23Å; L557-E627 HydrophobicContact CD1-CG 4.11Å; L557-L630 HydrophobicContact CD2-CB 3.7Å; L557-L630 HydrophobicContact CD2-CD1 4.18Å; L557-Y631 HydrophobicContact CD1-CD2 4.13Å; L557-Y631 HydrophobicContact CD1-CE1 4.2Å; L557-Y631 HydrophobicContact CD1-CE2 3.44Å; L557-Y631 VanDerWaalsContact CD1-CE2 3.44Å; L557-Y631 VanDerWaalsContact CD1-CZ 3.47Å; L557-Y631 HydrophobicContact CD2-CE1 4.37Å; L557-Y631 HydrophobicContact CG-CE1 4.04Å; L557-Y631 HydrophobicContact CG-CE2 4.19Å; L557-I634 HydrophobicContact CD2-CD1 4.26Å
558P97.9Very high96.4Very high52 Ų5257 Ų5734%0.33830%0.295SS..EExtended strand (participates in β ladder)trans-74.2145.4-17629.5-35.6000113.1E556 K560 E611 Y631E556-P558 VanDerWaalsContact O-CD 3.26Å; E556-P558 WeakPolarHBondContact O-CD 3.26Å; P558-K560 PolarHBondContact O-N 3.27Å; P558-E611 CarbonylContact C-O 3.27Å; P558-E611 WeakPolarHBondContact CA-O 3.28Å; P558-Y631 WeakPolarHBondContact O-CE1 3.39Å; P558-Y631 PolarHBondContact O-OH 3.19Å; P558-Y631 VanDerWaalsContact O-OH 3.12Å
559A97.7Very high96.3Very high3 Ų357.9 Ų57.93%0.02530%0.3CS..  trans-64.2131.117200000111.6T561 V607 G610 E611 L613 I636A559-T561 VanDerWaalsContact C-N 3.33Å; A559-V607 HydrophobicContact CB-CG1 4.3Å; A559-V607 HydrophobicContact CB-CG2 3.58Å; A559-G610 PolarHBondContact O-N 3.45Å; A559-E611 WeakPolarHBondContact CB-O 3.25Å; A559-E611 PolarHBondContact N-O 2.9Å; A559-L613 HydrophobicContact CB-CD1 4.1Å; A559-L613 HydrophobicContact CB-CD2 4.09Å; A559-L613 HydrophobicContact CB-CG 3.92Å; A559-I636 HydrophobicContact CB-CD1 3.86Å
560K96.3Very high96.2Very high129 Ų12955.3 Ų55.356%0.56129%0.287SS*.SBendtrans-75.7-20.1178.6-70.9177.2178163.10113.7P558 Y631P558-K560 PolarHBondContact O-N 3.27Å; K560-Y631 HydrophobicContact CD-CD1 3.92Å; K560-Y631 HydrophobicContact CD-CE1 3.98Å; K560-Y631 HydrophobicContact CD-CG 4.47Å; K560-Y631 VanDerWaalsContact CE-CD1 3.45Å; K560-Y631 VanDerWaalsContact CE-CE1 3.49Å; K560-Y631 HydrophobicContact CG-CD1 4.24Å; K560-Y631 HydrophobicContact CG-CE1 3.84Å
561T97.1Very high96Very high74 Ų7452.7 Ų52.745%0.45427%0.27SS..SBendtrans-146.1159.2-178.553.40000109.5A559A559-T561 VanDerWaalsContact C-N 3.33Å
562S98.1Very high95.9Very high79 Ų7954.1 Ų54.155%0.55227%0.273SS*.  trans-86.7146171.5-54.80000110.7V607 E609S562-V607 CarbonylContact C-O 3.57Å; S562-V607 WeakPolarHBondContact CA-O 3.45Å; S562-E609 PolarHBondContact OG-N 3.02Å
563G97.7Very high95.9Very high14 Ų1446.9 Ų46.914%0.14424%0.242CC..EExtended strand (participates in β ladder)trans163.6-148.2177.500000112.3K606 V607 G637G563-K606 WeakPolarHBondContact O-CA 3.24Å; G563-V607 PolarHBondContact N-O 3.09Å; G563-V607 PolarHBondContact O-N 3.48Å; G563-G637 WeakPolarHBondContact CA-O 3.22Å
564Y97.7Very high95.7Very high66 Ų6642.1 Ų42.126%0.25922%0.223SC..EExtended strand (participates in β ladder)trans-115.4141.1170.1-61.9-90.1000109.7T566 D605 K606 I636 G637 E638 P640Y564-T566 PolarHBondContact O-N 3.23Å; Y564-D605 CarbonylContact C-O 3.53Å; Y564-D605 VanDerWaalsContact CA-O 3.26Å; Y564-D605 WeakPolarHBondContact CA-O 3.49Å; Y564-K606 HydrophobicContact CD1-CB 3.86Å; Y564-K606 HydrophobicContact CD1-CG 4.26Å; Y564-K606 HydrophobicContact CE1-CB 3.65Å; Y564-K606 HydrophobicContact CE1-CD 4.15Å; Y564-K606 HydrophobicContact CE1-CG 3.9Å; Y564-I636 CarbonylContact O-C 3.59Å; Y564-I636 VanDerWaalsContact O-CA 3.29Å; Y564-I636 WeakPolarHBondContact O-CA 3.3Å; Y564-G637 PolarHBondContact N-O 2.96Å; Y564-G637 PolarHBondContact O-N 3.39Å; Y564-E638 WeakPolarHBondContact CD2-O 3.35Å; Y564-E638 WeakPolarHBondContact CE2-O 3.39Å; Y564-P640 HydrophobicContact CD1-CB 3.81Å; Y564-P640 HydrophobicContact CD1-CG 4.49Å; Y564-P640 HydrophobicContact CE1-CB 4.22Å; Y564-P640 HydrophobicContact CE1-CG 4.49Å; Y564-P640 HydrophobicContact CG-CB 4.01Å
565V97Very high95.5Very high1 Ų138.1 Ų38.11%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-66.6118.3171.3179.80000108L568 K601 K602 V603 G604 D605 V607 L613 S635V565-L568 HydrophobicContact CG1-CD1 4.12Å; V565-L568 HydrophobicContact CG1-CD2 3.86Å; V565-L568 HydrophobicContact CG1-CG 3.66Å; V565-K601 HydrophobicContact CG2-CB 3.92Å; V565-K602 WeakPolarHBondContact CB-O 3.33Å; V565-V603 HydrophobicContact CG1-CG2 4.48Å; V565-G604 PolarHBondContact O-N 3.08Å; V565-D605 PolarHBondContact N-O 3.03Å; V565-V607 HydrophobicContact CG2-CG1 4.34Å; V565-L613 HydrophobicContact CG2-CD2 4.11Å; V565-S635 CarbonylContact C-O 3.58Å; V565-S635 WeakPolarHBondContact CA-O 3.3Å
566T95.6Very high95.4Very high38 Ų3836 Ų3623%0.23320%0.195CC..EExtended strand (participates in β ladder)trans-104.6-21.3-17751.40000113Y564 S635Y564-T566 PolarHBondContact O-N 3.23Å; T566-S635 PolarHBondContact N-O 2.81Å; T566-S635 WeakPolarHBondContact OG1-CB 3.46Å; T566-S635 PolarHBondContact OG1-O 2.8Å
567D93.8Very high95.3Very high55 Ų5531.8 Ų31.829%0.29418%0.176SC..EExtended strand (participates in β ladder)trans-152142.5179-156.617.1000111.5S635D567-S635 PolarHBondContact O-N 2.96Å
568L93.9Very high95Very high3 Ų333.1 Ų33.12%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-141.488.7176.2-73.6179.5000107.6E460 V565 A570 I573 V603 I634E460-L568 WeakPolarHBondContact CA-O 3.28Å; E460-L568 HydrophobicContact CB-CB 3.94Å; V565-L568 HydrophobicContact CG1-CD1 4.12Å; V565-L568 HydrophobicContact CG1-CD2 3.86Å; V565-L568 HydrophobicContact CG1-CG 3.66Å; L568-A570 PolarHBondContact O-N 2.99Å; L568-I573 HydrophobicContact CB-CD1 3.97Å; L568-I573 HydrophobicContact CD2-CD1 4.26Å; L568-V603 HydrophobicContact CB-CG2 4.08Å; L568-V603 HydrophobicContact CD1-CG2 4.19Å; L568-V603 HydrophobicContact CG-CG2 4Å; L568-I634 HydrophobicContact CD2-CB 4.14Å; L568-I634 HydrophobicContact CD2-CD1 4.34Å; L568-I634 HydrophobicContact CD2-CG1 3.66Å; L568-I634 HydrophobicContact CD2-CG2 3.76Å
569V94Very high94.8Very high22 Ų2233.1 Ų33.113%0.13318%0.179CC..  trans-67.1101.6-171.1-171.90000110.5E423 N571 E572 I573 N633E423-V569 HydrophobicContact CB-CG1 4.19Å; V569-N571 VanDerWaalsContact C-N 3.34Å; V569-N571 PolarHBondContact O-N 3.38Å; V569-E572 HydrophobicContact CB-CB 4.32Å; V569-E572 HydrophobicContact CB-CG 4.26Å; V569-E572 HydrophobicContact CG1-CB 4.31Å; V569-E572 HydrophobicContact CG1-CG 3.82Å; V569-E572 PolarHBondContact O-N 2.94Å; V569-E572 VanDerWaalsContact O-N 3.1Å; V569-I573 WeakPolarHBondContact O-CG1 3.29Å; V569-I573 PolarHBondContact O-N 2.68Å; V569-I573 VanDerWaalsContact O-N 3.08Å; V569-N633 HydrophobicContact CB-CB 4.02Å; V569-N633 HydrophobicContact CG2-CB 4.12Å; V569-N633 PolarHBondContact N-O 2.94Å; V569-N633 VanDerWaalsContact N-O 3.1Å
570A91.9Very high94.6Very high0 Ų034.3 Ų34.30%019%0.185CC..Hα-helixtrans-53.5-46.9-17100000113.4V306 M458 S459 P461 L568 E572 I573 G574V306-A570 HydrophobicContact CB-CB 4.37Å; V306-A570 WeakPolarHBondContact CG2-O 3.47Å; M458-A570 WeakPolarHBondContact O-CB 3.26Å; S459-A570 WeakPolarHBondContact O-CB 3.47Å; S459-A570 PolarHBondContact O-N 3.45Å; S459-A570 VanDerWaalsContact O-N 3.11Å; P461-A570 HydrophobicContact CG-CB 4.28Å; L568-A570 PolarHBondContact O-N 2.99Å; A570-E572 VanDerWaalsContact C-N 3.33Å; A570-E572 PolarHBondContact O-N 3.31Å; A570-I573 PolarHBondContact O-N 2.79Å; A570-G574 PolarHBondContact O-N 3.49Å
571N90.2Very high94.4Very high33 Ų3329.1 Ų29.118%0.17617%0.169CC..Hα-helixtrans-55.2-47.3179-179.853.1000112.1F335 V569 G574 I575F335-N571 WeakPolarHBondContact CD1-OD1 3.39Å; F335-N571 WeakPolarHBondContact CE1-OD1 3.3Å; F335-N571 WeakPolarHBondContact CE2-OD1 3.25Å; F335-N571 WeakPolarHBondContact CG-OD1 3.38Å; F335-N571 WeakPolarHBondContact CZ-OD1 3.22Å; V569-N571 VanDerWaalsContact C-N 3.34Å; V569-N571 PolarHBondContact O-N 3.38Å; N571-G574 CarbonylContact O-C 3.57Å; N571-G574 PolarHBondContact O-N 3.26Å; N571-I575 WeakPolarHBondContact O-CG1 3.24Å; N571-I575 PolarHBondContact O-N 3.42Å
572E94Very high94.1Very high50 Ų5026 Ų2623%0.23415%0.15CC..Hα-helixtrans-72.9-32.7-175.9-59-56.9139.300111.8V569 A570 G574 I575 A576 N633V569-E572 HydrophobicContact CB-CB 4.32Å; V569-E572 HydrophobicContact CB-CG 4.26Å; V569-E572 HydrophobicContact CG1-CB 4.31Å; V569-E572 HydrophobicContact CG1-CG 3.82Å; V569-E572 PolarHBondContact O-N 2.94Å; V569-E572 VanDerWaalsContact O-N 3.1Å; A570-E572 VanDerWaalsContact C-N 3.33Å; A570-E572 PolarHBondContact O-N 3.31Å; E572-G574 VanDerWaalsContact C-N 3.34Å; E572-I575 PolarHBondContact O-N 3.03Å; E572-A576 WeakPolarHBondContact O-CB 3.49Å; E572-A576 PolarHBondContact O-N 3.49Å; E572-N633 HydrophobicContact CB-CB 3.88Å; E572-N633 WeakPolarHBondContact CB-ND2 3.19Å; E572-N633 HydrophobicContact CG-CB 4.48Å; E572-N633 WeakPolarHBondContact CG-OD1 3.38Å
573I94.9Very high93.6Very high0 Ų022.6 Ų22.60%013%0.128CC..Hα-helixtrans-65.2-40.1169.7-62.4170.8000110.5P461 I466 L568 V569 A570 A576 A577 I597 L630P461-I573 HydrophobicContact CG-CB 4.16Å; P461-I573 HydrophobicContact CG-CD1 3.8Å; P461-I573 HydrophobicContact CG-CG2 4.05Å; I466-I573 HydrophobicContact CD1-CG2 4.01Å; I466-I573 HydrophobicContact CG1-CG2 4.2Å; L568-I573 HydrophobicContact CB-CD1 3.97Å; L568-I573 HydrophobicContact CD2-CD1 4.26Å; V569-I573 WeakPolarHBondContact O-CG1 3.29Å; V569-I573 PolarHBondContact O-N 2.68Å; V569-I573 VanDerWaalsContact O-N 3.08Å; A570-I573 PolarHBondContact O-N 2.79Å; I573-A576 WeakPolarHBondContact O-CB 3.32Å; I573-A576 PolarHBondContact O-N 2.84Å; I573-A577 PolarHBondContact O-N 2.89Å; I573-I597 HydrophobicContact CG2-CD1 4.14Å; I573-L630 HydrophobicContact CG1-CD2 4.16Å; I573-L630 HydrophobicContact CG2-CD2 4.48Å
574G92.8Very high92.9Very high1 Ų123 Ų231%0.0113%0.125CC..Hα-helixtrans-62.9-41.7173.500000112.6A570 N571 E572 A577 M578A570-G574 PolarHBondContact O-N 3.49Å; N571-G574 CarbonylContact O-C 3.57Å; N571-G574 PolarHBondContact O-N 3.26Å; E572-G574 VanDerWaalsContact C-N 3.34Å; G574-A577 PolarHBondContact O-N 2.88Å; G574-M578 WeakPolarHBondContact O-CB 3.35Å; G574-M578 PolarHBondContact O-N 3.38Å
575I92.8Very high91.9Very high42 Ų4225.4 Ų25.422%0.21514%0.137CC..Hα-helixtrans-63-42.9173.8-68.7166.6000110.4F335 N571 E572 A577 M578 L579 L629F335-I575 HydrophobicContact CB-CG1 4.08Å; N571-I575 WeakPolarHBondContact O-CG1 3.24Å; N571-I575 PolarHBondContact O-N 3.42Å; E572-I575 PolarHBondContact O-N 3.03Å; I575-A577 VanDerWaalsContact C-N 3.33Å; I575-A577 PolarHBondContact O-N 2.75Å; I575-M578 HydrophobicContact CG2-CE 4.48Å; I575-M578 WeakPolarHBondContact O-CB 3.14Å; I575-M578 PolarHBondContact O-N 2.82Å; I575-M578 VanDerWaalsContact O-N 3.16Å; I575-L579 HydrophobicContact CG2-CD1 4.26Å; I575-L579 HydrophobicContact CG2-CG 4.34Å; I575-L579 WeakPolarHBondContact O-CG 3.25Å; I575-L579 PolarHBondContact O-N 3.25Å; I575-L629 HydrophobicContact CB-CD2 4.23Å; I575-L629 HydrophobicContact CG2-CD2 3.77Å
576A95.4Very high90.7Very high0 Ų029.5 Ų29.50%016%0.162CC..Hα-helixtrans-57.6-45.2175.800000111.7E572 I573 L579 L580 I597 V626 L629 L630E572-A576 WeakPolarHBondContact O-CB 3.49Å; E572-A576 PolarHBondContact O-N 3.49Å; I573-A576 WeakPolarHBondContact O-CB 3.32Å; I573-A576 PolarHBondContact O-N 2.84Å; A576-L579 PolarHBondContact O-N 3.49Å; A576-L580 WeakPolarHBondContact O-CG 3.4Å; A576-L580 PolarHBondContact O-N 3.22Å; A576-I597 HydrophobicContact CB-CD1 3.78Å; A576-V626 HydrophobicContact CB-CG1 4.12Å; A576-L629 HydrophobicContact CB-CD2 3.98Å; A576-L630 HydrophobicContact CB-CD2 3.71Å; A576-L630 HydrophobicContact CB-CG 3.95Å
577A94.7Very high89.4Confident4 Ų433.4 Ų33.43%0.03318%0.175CC..Hα-helixtrans-65.2-39.8174.600000112.7I466 I573 G574 I575 L579 L580 G581 A582 I597I466-A577 HydrophobicContact CB-CB 4.45Å; I466-A577 HydrophobicContact CG2-CB 3.54Å; I573-A577 PolarHBondContact O-N 2.89Å; G574-A577 PolarHBondContact O-N 2.88Å; I575-A577 VanDerWaalsContact C-N 3.33Å; I575-A577 PolarHBondContact O-N 2.75Å; A577-L579 VanDerWaalsContact C-N 3.33Å; A577-L579 PolarHBondContact O-N 3.14Å; A577-L580 WeakPolarHBondContact O-CB 3.5Å; A577-L580 PolarHBondContact O-N 3.46Å; A577-G581 PolarHBondContact O-N 2.82Å; A577-A582 HydrophobicContact CB-CB 4.2Å; A577-A582 VanDerWaalsContact O-CB 3.26Å; A577-A582 WeakPolarHBondContact O-CB 3.07Å; A577-A582 PolarHBondContact O-N 3.45Å; A577-A582 VanDerWaalsContact O-N 3.07Å; A577-I597 HydrophobicContact CB-CD1 4.22Å; A577-I597 HydrophobicContact CB-CG1 4.48Å
578M91.8Very high88.5Confident30 Ų3039.1 Ų39.115%0.14820%0.2CC..Hα-helixtrans-62.7-38.8175-175.4-173.465.800111.9G574 I575 L580 G581 K585G574-M578 WeakPolarHBondContact O-CB 3.35Å; G574-M578 PolarHBondContact O-N 3.38Å; I575-M578 HydrophobicContact CG2-CE 4.48Å; I575-M578 WeakPolarHBondContact O-CB 3.14Å; I575-M578 PolarHBondContact O-N 2.82Å; I575-M578 VanDerWaalsContact O-N 3.16Å; M578-L580 VanDerWaalsContact C-N 3.25Å; M578-L580 PolarHBondContact O-N 2.92Å; M578-G581 PolarHBondContact O-N 2.79Å; M578-K585 HydrophobicContact CE-CG 4.16Å; M578-K585 HydrophobicContact CG-CG 4.48Å; M578-K585 HydrophobicContact SD-CG 4.08Å
579L92.5Very high87.8Confident52 Ų5242.3 Ų42.327%0.27222%0.215SC..Hα-helixtrans-64-29.3176-72.8175.7000112.7I575 A576 A577 G581 E625 V626 L629I575-L579 HydrophobicContact CG2-CD1 4.26Å; I575-L579 HydrophobicContact CG2-CG 4.34Å; I575-L579 WeakPolarHBondContact O-CG 3.25Å; I575-L579 PolarHBondContact O-N 3.25Å; A576-L579 PolarHBondContact O-N 3.49Å; A577-L579 VanDerWaalsContact C-N 3.33Å; A577-L579 PolarHBondContact O-N 3.14Å; L579-G581 VanDerWaalsContact C-N 3.27Å; L579-E625 HydrophobicContact CD1-CG 4.36Å; L579-V626 HydrophobicContact CB-CG2 3.95Å; L579-L629 HydrophobicContact CD1-CD2 4.07Å
580L94.1Very high87.4Confident27 Ų2748.6 Ų48.614%0.14125%0.248CC..Hα-helixtrans-71.8-21.7172.6-64.3166.9000112.9A576 A577 M578 V595 I597 I616 A618 I623 V626A576-L580 WeakPolarHBondContact O-CG 3.4Å; A576-L580 PolarHBondContact O-N 3.22Å; A577-L580 WeakPolarHBondContact O-CB 3.5Å; A577-L580 PolarHBondContact O-N 3.46Å; M578-L580 VanDerWaalsContact C-N 3.25Å; M578-L580 PolarHBondContact O-N 2.92Å; L580-V595 HydrophobicContact CB-CB 4.08Å; L580-V595 HydrophobicContact CB-CG2 3.97Å; L580-V595 WeakPolarHBondContact O-CG2 3.39Å; L580-I597 HydrophobicContact CD1-CG1 4.15Å; L580-I616 HydrophobicContact CD1-CG2 3.7Å; L580-I616 HydrophobicContact CD2-CG2 3.93Å; L580-I616 HydrophobicContact CG-CG2 4.48Å; L580-A618 HydrophobicContact CD2-CB 4.01Å; L580-I623 HydrophobicContact CD2-CG2 3.95Å; L580-V626 HydrophobicContact CD1-CG1 4.27Å; L580-V626 HydrophobicContact CD2-CB 4.44Å; L580-V626 HydrophobicContact CD2-CG1 4.16Å; L580-V626 HydrophobicContact CD2-CG2 3.93Å; L580-V626 HydrophobicContact CG-CG1 4.16Å; L580-V626 HydrophobicContact CG-CG2 4.12Å
581G91.9Very high87.2Confident21 Ų2149.9 Ų49.922%0.21625%0.254CS..THydrogen-bonded Turntrans114.45.4-176.600000115A577 M578 L579 G583 D592A577-G581 PolarHBondContact O-N 2.82Å; M578-G581 PolarHBondContact O-N 2.79Å; L579-G581 VanDerWaalsContact C-N 3.27Å; G581-G583 PolarHBondContact O-N 3.21Å; G581-D592 PolarHBondContact O-N 3.4Å
582A91.4Very high87.4Confident8 Ų850.8 Ų50.87%0.06626%0.259CS..SBendtrans-74.5-8.8-176.500000114.1N468 A577 V595N468-A582 PolarHBondContact ND2-O 3.17Å; A577-A582 HydrophobicContact CB-CB 4.2Å; A577-A582 VanDerWaalsContact O-CB 3.26Å; A577-A582 WeakPolarHBondContact O-CB 3.07Å; A577-A582 PolarHBondContact O-N 3.45Å; A577-A582 VanDerWaalsContact O-N 3.07Å; A582-V595 HydrophobicContact CB-CG2 4.07Å
583G87.2Confident87.4Confident8 Ų850.9 Ų50.98%0.08226%0.26CS..SBendtrans-146.7180-178.400000111.9G581G581-G583 PolarHBondContact O-N 3.21Å
584R82.4Confident87.4Confident21 Ų2151.1 Ų51.18%0.07926%0.262CS..BIsolated β-bridgetrans-108.2128-175.1-70.4-172.2-170.190.27.2112R331 G334 D341 T586 E589 I591R331-R584 VanDerWaalsContact NH1-NH2 3.14Å; G334-R584 WeakPolarHBondContact CA-O 3.46Å; G334-R584 PolarHBondContact N-O 2.72Å; D341-R584 IonicContact OD1-CZ 2.64Å; D341-R584 VanDerWaalsContact OD1-CZ 3.23Å; D341-R584 IonicContact OD1-NH1 2.81Å; D341-R584 PolarHBondContact OD1-NH1 3.48Å; D341-R584 IonicContact OD1-NH2 2.77Å; D341-R584 PolarHBondContact OD1-NH2 3.49Å; D341-R584 IonicContact OD2-NH1 3.73Å; D341-R584 PolarHBondContact OD2-NH1 3.02Å; R584-T586 WeakPolarHBondContact CB-O 3.2Å; R584-E589 VanDerWaalsContact CD-O 3.28Å; R584-E589 WeakPolarHBondContact CD-O 3.43Å; R584-E589 HydrophobicContact CG-CB 4.33Å; R584-E589 WeakPolarHBondContact CG-O 3.28Å; R584-E589 PolarHBondContact NE-O 2.99Å; R584-I591 HydrophobicContact CG-CD1 3.94Å; R584-I591 HydrophobicContact CG-CG1 3.69Å
585K76.6Confident87.6Confident118 Ų11851.1 Ų51.151%0.51326%0.261SS..SBendtrans-77.2-34.6164.7-60.1173.8-178.7171.80111M578 E589M578-K585 HydrophobicContact CE-CG 4.16Å; M578-K585 HydrophobicContact CG-CG 4.48Å; M578-K585 HydrophobicContact SD-CG 4.08Å; K585-E589 WeakPolarHBondContact CA-OE2 3.48Å; K585-E589 VanDerWaalsContact CB-OE2 3.23Å; K585-E589 WeakPolarHBondContact CB-OE2 3.38Å; K585-E589 PolarHBondContact N-OE2 3.17Å
586T73.5Confident87.7Confident86 Ų8649.1 Ų49.153%0.52825%0.251SS..SBendtrans-132.7154.517671.10000110.8R584 E588 E589R584-T586 WeakPolarHBondContact CB-O 3.2Å; T586-E588 PolarHBondContact O-N 2.98Å; T586-E589 WeakPolarHBondContact O-CB 3.37Å; T586-E589 PolarHBondContact O-N 3.38Å; T586-E589 VanDerWaalsContact O-N 3.09Å
587K68.3Low87.9Confident120 Ų12049.1 Ų49.152%0.52225%0.251SS..THydrogen-bonded Turntrans-56.1-27.9-176.4-72-178.1178.5174.60114.6L333L333-K587 HydrophobicContact CD1-CG 3.66Å
588E74.1Confident88Confident176 Ų17652.4 Ų52.482%0.82227%0.265SS*.THydrogen-bonded Turntrans-920.4-175.6-51.6-56.2138.100113.4T586T586-E588 PolarHBondContact O-N 2.98Å
589E78.7Confident88.3Confident70 Ų7051 Ų5133%0.32726%0.258SS..PPolyproline II helixtrans-79.2134.3-178.7-166.3169.6-156.200111.1R584 K585 T586R584-E589 VanDerWaalsContact CD-O 3.28Å; R584-E589 WeakPolarHBondContact CD-O 3.43Å; R584-E589 HydrophobicContact CG-CB 4.33Å; R584-E589 WeakPolarHBondContact CG-O 3.28Å; R584-E589 PolarHBondContact NE-O 2.99Å; K585-E589 WeakPolarHBondContact CA-OE2 3.48Å; K585-E589 VanDerWaalsContact CB-OE2 3.23Å; K585-E589 WeakPolarHBondContact CB-OE2 3.38Å; K585-E589 PolarHBondContact N-OE2 3.17Å; T586-E589 WeakPolarHBondContact O-CB 3.37Å; T586-E589 PolarHBondContact O-N 3.38Å; T586-E589 VanDerWaalsContact O-N 3.09Å
590D85.7Confident88.5Confident154 Ų15451.9 Ų51.982%0.82426%0.261SS*.PPolyproline II helixtrans-71.8141.7172.5-70.1-39000110.1
591I88.9Confident88.6Confident26 Ų2652.3 Ų52.313%0.13326%0.261CS..PPolyproline II helixtrans-96.8137.8176.9-65.5-179.9000109.3D341 N468 R584D341-I591 HydrophobicContact CB-CD1 3.7Å; D341-I591 VanDerWaalsContact CG-CD1 3.41Å; N468-I591 WeakPolarHBondContact ND2-CG2 3.33Å; R584-I591 HydrophobicContact CG-CD1 3.94Å; R584-I591 HydrophobicContact CG-CG1 3.69Å
592D93.6Very high88.8Confident52 Ų5252.3 Ų52.328%0.27826%0.255SS..  trans-88.3108.1164-168.5-22.9000109.1G581 A594 V595 N619G581-D592 PolarHBondContact O-N 3.4Å; D592-A594 PolarHBondContact O-N 3.19Å; D592-A594 WeakPolarHBondContact OD1-CB 3.5Å; D592-A594 PolarHBondContact OD1-N 3.48Å; D592-V595 HydrophobicContact CB-CG1 4.29Å; D592-V595 HydrophobicContact CB-CG2 3.87Å; D592-V595 WeakPolarHBondContact O-CG2 3.11Å; D592-N619 PolarHBondContact OD1-ND2 2.63Å; D592-N619 PolarHBondContact OD2-ND2 2.91Å
593H94.2Very high89Confident52 Ų5252.5 Ų52.524%0.24126%0.256CS..THydrogen-bonded Turntrans-69.4-21.3-178.2-60.6152.6000113.2N468 S469N468-H593 HydrophobicContact CB-CB 4.18Å; S469-H593 VanDerWaalsContact CB-O 3.3Å; S469-H593 WeakPolarHBondContact CB-O 3.28Å; S469-H593 PolarHBondContact N-O 3.16Å; S469-H593 VanDerWaalsContact N-O 3.08Å; S469-H593 PolarHBondContact OG-O 3.27Å; S469-H593 VanDerWaalsContact OG-O 3.05Å
594A95.2Very high89.3Confident6 Ų653.1 Ų53.15%0.0526%0.262CS..THydrogen-bonded Turntrans-84-16.5-171.200000113.7T550 A551 D592T550-A594 WeakPolarHBondContact OG1-CB 3.43Å; A551-A594 WeakPolarHBondContact CB-O 3.26Å; D592-A594 PolarHBondContact O-N 3.19Å; D592-A594 WeakPolarHBondContact OD1-CB 3.5Å; D592-A594 PolarHBondContact OD1-N 3.48Å
595V96Very high90Very high0 Ų055.3 Ų55.30%028%0.275CS..  trans-96.7157.6-175.5-56.10000111.9L580 A582 D592 Y617 N619L580-V595 HydrophobicContact CB-CB 4.08Å; L580-V595 HydrophobicContact CB-CG2 3.97Å; L580-V595 WeakPolarHBondContact O-CG2 3.39Å; A582-V595 HydrophobicContact CB-CG2 4.07Å; D592-V595 HydrophobicContact CB-CG1 4.29Å; D592-V595 HydrophobicContact CB-CG2 3.87Å; D592-V595 WeakPolarHBondContact O-CG2 3.11Å; V595-Y617 VanDerWaalsContact CA-O 3.26Å; V595-Y617 WeakPolarHBondContact CA-O 3.44Å; V595-Y617 VanDerWaalsContact CB-O 3.28Å; V595-Y617 WeakPolarHBondContact CB-O 3.46Å; V595-N619 HydrophobicContact CG1-CB 4.19Å
596G96.4Very high91Very high0 Ų056.3 Ų56.30%028%0.28CS..EExtended strand (participates in β ladder)trans157.8-163.3-179.100000112.8I466 Y617I466-G596 CarbonylContact O-C 3.46Å; I466-G596 WeakPolarHBondContact O-CA 3.39Å; G596-Y617 PolarHBondContact N-O 3.32Å; G596-Y617 PolarHBondContact O-N 2.99Å
597I97.8Very high92.2Very high0 Ų052.3 Ų52.30%026%0.255CS..EExtended strand (participates in β ladder)trans-132132.7-175.4-63.7170.8000108.5I466 I573 A576 A577 L580 L599 L614 T615 L630I466-I597 HydrophobicContact CB-CB 4.37Å; I466-I597 HydrophobicContact CD1-CB 4.43Å; I466-I597 HydrophobicContact CD1-CG2 4.36Å; I466-I597 PolarHBondContact N-O 2.88Å; I466-I597 PolarHBondContact O-N 3.45Å; I573-I597 HydrophobicContact CG2-CD1 4.14Å; A576-I597 HydrophobicContact CB-CD1 3.78Å; A577-I597 HydrophobicContact CB-CD1 4.22Å; A577-I597 HydrophobicContact CB-CG1 4.48Å; L580-I597 HydrophobicContact CD1-CG1 4.15Å; I597-L599 HydrophobicContact CG2-CD2 4.01Å; I597-L614 HydrophobicContact CG2-CB 4.16Å; I597-L614 HydrophobicContact CG2-CD1 4.12Å; I597-L614 HydrophobicContact CG2-CD2 3.96Å; I597-L614 HydrophobicContact CG2-CG 4.31Å; I597-T615 WeakPolarHBondContact CA-O 3.1Å; I597-L630 HydrophobicContact CD1-CD1 4.1Å; I597-L630 HydrophobicContact CD1-CD2 3.85Å
598K97.8Very high93.6Very high73 Ų7348.9 Ų48.932%0.31725%0.249SC..EExtended strand (participates in β ladder)trans-114.9115.2170.6-175.4175.1-179.9171.20109.7Q464 L614 T615 Y617Q464-K598 CarbonylContact O-C 3.55Å; Q464-K598 WeakPolarHBondContact O-CA 3.35Å; K598-L614 CarbonylContact O-C 3.46Å; K598-L614 WeakPolarHBondContact O-CA 3.44Å; K598-L614 VanDerWaalsContact O-CB 3.25Å; K598-L614 WeakPolarHBondContact O-CB 3.45Å; K598-T615 PolarHBondContact N-O 2.8Å; K598-T615 PolarHBondContact O-N 2.99Å; K598-Y617 HydrophobicContact CB-CD2 4.47Å; K598-Y617 HydrophobicContact CB-CE2 3.77Å
599L97.8Very high94.7Very high1 Ų147.2 Ų47.21%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-75.7132.6177.8-54.6178000110.5P461 Q464 I466 I597 L614P461-L599 HydrophobicContact CB-CD1 4.15Å; P461-L599 HydrophobicContact CG-CD1 4.12Å; Q464-L599 HydrophobicContact CB-CB 4.41Å; Q464-L599 PolarHBondContact O-N 3.36Å; I466-L599 HydrophobicContact CD1-CD1 3.97Å; I466-L599 HydrophobicContact CD1-CD2 4.31Å; I466-L599 HydrophobicContact CD1-CG 3.83Å; I597-L599 HydrophobicContact CG2-CD2 4.01Å; L599-L614 HydrophobicContact CD2-CB 4.05Å; L599-L614 HydrophobicContact CD2-CD2 3.94Å
600H97.5Very high95.6Very high71 Ų7146.4 Ų46.433%0.32925%0.252SS..SBendtrans-100.8-18.1169.4-58.7-54.5000112.4E556 S612 L613 T615E556-H600 IonicContact OE2-CD2 3.95Å; E556-H600 IonicContact OE2-NE2 2.69Å; E556-H600 PolarHBondContact OE2-NE2 3.29Å; H600-S612 PolarHBondContact CD2-OG 3.05Å; H600-L613 PolarHBondContact N-O 3.2Å; H600-T615 PolarHBondContact CE1-OG1 3.4Å; H600-T615 PolarHBondContact NE2-OG1 2.76Å
601K96.4Very high96.1Very high35 Ų3542.6 Ų42.615%0.15223%0.229CC..  trans-132.4133.4-179.6-60-66.6173.91710110.3V565 D605 K606 V607 E611 L613V565-K601 HydrophobicContact CG2-CB 3.92Å; K601-D605 WeakPolarHBondContact CA-OD2 3.41Å; K601-D605 HydrophobicContact CB-CB 4.28Å; K601-D605 HydrophobicContact CD-CB 3.87Å; K601-K606 PolarHBondContact NZ-O 3.33Å; K601-V607 HydrophobicContact CD-CB 4.48Å; K601-V607 HydrophobicContact CG-CB 4.41Å; K601-V607 HydrophobicContact CG-CG2 4.29Å; K601-E611 WeakPolarHBondContact CE-OE1 3.45Å; K601-E611 IonicContact NZ-OE1 3.36Å; K601-E611 PolarHBondContact NZ-OE1 3.01Å; K601-E611 IonicContact NZ-OE2 3.72Å; K601-L613 HydrophobicContact CB-CD2 4.36Å; K601-L613 HydrophobicContact CG-CD2 4.39Å; K601-L613 PolarHBondContact N-O 3.11Å
602K95.4Very high96.6Very high21 Ų2142.5 Ų42.59%0.09123%0.231CC..  trans-110.4171.9174.3-65.6-153.365.3144.60111.6E460 P461 G463 D486 V565 G604 D605E460-K602 VanDerWaalsContact CD-CE 3.45Å; E460-K602 WeakPolarHBondContact OE2-CE 3.41Å; E460-K602 IonicContact OE2-NZ 3.82Å; P461-K602 PolarHBondContact O-NZ 2.9Å; G463-K602 PolarHBondContact O-NZ 3.41Å; D486-K602 IonicContact OD2-NZ 2.64Å; D486-K602 PolarHBondContact OD2-NZ 3.45Å; V565-K602 WeakPolarHBondContact CB-O 3.33Å; K602-G604 PolarHBondContact O-N 2.79Å; K602-D605 PolarHBondContact N-OD2 3.42Å; K602-D605 VanDerWaalsContact O-CB 3.29Å; K602-D605 WeakPolarHBondContact O-CB 3.33Å; K602-D605 PolarHBondContact O-N 3.15Å
603V95Very high96.8Very high13 Ų1340.4 Ų40.48%0.07922%0.219CC..THydrogen-bonded Turntrans-57.5131175.2177.20000110.1E460 V565 L568 K641E460-V603 HydrophobicContact CB-CG2 4.19Å; E460-V603 PolarHBondContact OE2-N 2.97Å; V565-V603 HydrophobicContact CG1-CG2 4.48Å; L568-V603 HydrophobicContact CB-CG2 4.08Å; L568-V603 HydrophobicContact CD1-CG2 4.19Å; L568-V603 HydrophobicContact CG-CG2 4Å; V603-K641 HydrophobicContact CG1-CB 4Å; V603-K641 HydrophobicContact CG1-CD 4.18Å; V603-K641 HydrophobicContact CG1-CG 4.25Å
604G95Very high96.9Very high21 Ų2137.9 Ų37.922%0.21621%0.208CC..THydrogen-bonded Turntrans94.1-16.3-175.100000114.4V565 K602 K641V565-G604 PolarHBondContact O-N 3.08Å; K602-G604 PolarHBondContact O-N 2.79Å; G604-K641 VanDerWaalsContact CA-O 3.24Å; G604-K641 WeakPolarHBondContact CA-O 3.24Å; G604-K641 PolarHBondContact N-O 2.83Å
605D96.5Very high97.1Very high66 Ų6637.8 Ų37.835%0.35321%0.206SC..  trans-73.5142.6178.9-74.1-26.5000112.3Y564 V565 K601 K602Y564-D605 CarbonylContact C-O 3.53Å; Y564-D605 VanDerWaalsContact CA-O 3.26Å; Y564-D605 WeakPolarHBondContact CA-O 3.49Å; V565-D605 PolarHBondContact N-O 3.03Å; K601-D605 WeakPolarHBondContact CA-OD2 3.41Å; K601-D605 HydrophobicContact CB-CB 4.28Å; K601-D605 HydrophobicContact CD-CB 3.87Å; K602-D605 PolarHBondContact N-OD2 3.42Å; K602-D605 VanDerWaalsContact O-CB 3.29Å; K602-D605 WeakPolarHBondContact O-CB 3.33Å; K602-D605 PolarHBondContact O-N 3.15Å
606K97.4Very high97.2Very high139 Ų13937.8 Ų37.860%0.60421%0.206SC*.EExtended strand (participates in β ladder)trans-80.3137.8172.2-166175.4-177.6175.40110.8G563 Y564 K601G563-K606 WeakPolarHBondContact O-CA 3.24Å; Y564-K606 HydrophobicContact CD1-CB 3.86Å; Y564-K606 HydrophobicContact CD1-CG 4.26Å; Y564-K606 HydrophobicContact CE1-CB 3.65Å; Y564-K606 HydrophobicContact CE1-CD 4.15Å; Y564-K606 HydrophobicContact CE1-CG 3.9Å; K601-K606 PolarHBondContact NZ-O 3.33Å
607V97.6Very high97.3Very high3 Ų338.7 Ų38.72%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-136140.4178.168.30000111.5A559 S562 G563 V565 K601 E611 L613 I636A559-V607 HydrophobicContact CB-CG1 4.3Å; A559-V607 HydrophobicContact CB-CG2 3.58Å; S562-V607 CarbonylContact C-O 3.57Å; S562-V607 WeakPolarHBondContact CA-O 3.45Å; G563-V607 PolarHBondContact N-O 3.09Å; G563-V607 PolarHBondContact O-N 3.48Å; V565-V607 HydrophobicContact CG2-CG1 4.34Å; K601-V607 HydrophobicContact CD-CB 4.48Å; K601-V607 HydrophobicContact CG-CB 4.41Å; K601-V607 HydrophobicContact CG-CG2 4.29Å; V607-E611 WeakPolarHBondContact CA-OE2 2.95Å; V607-E611 HydrophobicContact CG2-CB 3.89Å; V607-E611 HydrophobicContact CG2-CG 4.21Å; V607-L613 HydrophobicContact CB-CD2 4.43Å; V607-L613 HydrophobicContact CG1-CD2 4.31Å; V607-L613 HydrophobicContact CG2-CD2 3.91Å; V607-I636 HydrophobicContact CG1-CD1 3.79Å; V607-I636 HydrophobicContact CG1-CG1 4.19Å; V607-I636 HydrophobicContact CG1-CG2 4.18Å
608A97.7Very high97.2Very high48 Ų4838.8 Ų38.840%0.39721%0.211SC..  trans-95.5151.3171.300000111.5G610 E611A608-G610 PolarHBondContact O-N 3.5Å; A608-E611 HydrophobicContact CB-CB 4.28Å; A608-E611 PolarHBondContact N-OE2 3.18Å; A608-E611 WeakPolarHBondContact O-CB 3.37Å; A608-E611 PolarHBondContact O-N 2.93Å
609E97.6Very high97.1Very high141 Ų14137.5 Ų37.566%0.65921%0.207SC*.THydrogen-bonded Turntrans-56.1128.9172.1-176.3-178.4166.500110.2S562 E611S562-E609 PolarHBondContact OG-N 3.02Å; E609-E611 VanDerWaalsContact C-N 3.29Å; E609-E611 PolarHBondContact O-N 2.58Å
610G97.3Very high96.8Very high53 Ų5340 Ų4055%0.54623%0.225SC..THydrogen-bonded Turntrans83.7-11-174.800000115.3A559 A608A559-G610 PolarHBondContact O-N 3.45Å; A608-G610 PolarHBondContact O-N 3.5Å
611E97.7Very high96.3Very high74 Ų7441.9 Ų41.935%0.34624%0.238SC..SBendtrans-70.4140.5170.6-173.3178.2-177.300109.8P558 A559 K601 V607 A608 E609 L613P558-E611 CarbonylContact C-O 3.27Å; P558-E611 WeakPolarHBondContact CA-O 3.28Å; A559-E611 WeakPolarHBondContact CB-O 3.25Å; A559-E611 PolarHBondContact N-O 2.9Å; K601-E611 WeakPolarHBondContact CE-OE1 3.45Å; K601-E611 IonicContact NZ-OE1 3.36Å; K601-E611 PolarHBondContact NZ-OE1 3.01Å; K601-E611 IonicContact NZ-OE2 3.72Å; V607-E611 WeakPolarHBondContact CA-OE2 2.95Å; V607-E611 HydrophobicContact CG2-CB 3.89Å; V607-E611 HydrophobicContact CG2-CG 4.21Å; A608-E611 HydrophobicContact CB-CB 4.28Å; A608-E611 PolarHBondContact N-OE2 3.18Å; A608-E611 WeakPolarHBondContact O-CB 3.37Å; A608-E611 PolarHBondContact O-N 2.93Å; E609-E611 VanDerWaalsContact C-N 3.29Å; E609-E611 PolarHBondContact O-N 2.58Å; E611-L613 PolarHBondContact O-N 3.03Å
612S97.8Very high96Very high23 Ų2348.2 Ų48.216%0.16127%0.268CS..EExtended strand (participates in β ladder)trans-70.4129.3-178.8-168.90000111.7E556 H600 L614E556-S612 WeakPolarHBondContact OE2-CB 3.26Å; E556-S612 PolarHBondContact OE2-OG 3.18Å; H600-S612 PolarHBondContact CD2-OG 3.05Å; S612-L614 PolarHBondContact OG-N 2.84Å; S612-L614 PolarHBondContact OG-O 3.4Å
613L97.8Very high95.9Very high8 Ų847.5 Ų47.54%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-80.1-37.6172.2-68.1165.1000110.9L557 A559 V565 H600 K601 V607 E611 I634 I636L557-L613 PolarHBondContact O-N 3.44Å; A559-L613 HydrophobicContact CB-CD1 4.1Å; A559-L613 HydrophobicContact CB-CD2 4.09Å; A559-L613 HydrophobicContact CB-CG 3.92Å; V565-L613 HydrophobicContact CG2-CD2 4.11Å; H600-L613 PolarHBondContact N-O 3.2Å; K601-L613 HydrophobicContact CB-CD2 4.36Å; K601-L613 HydrophobicContact CG-CD2 4.39Å; K601-L613 PolarHBondContact N-O 3.11Å; V607-L613 HydrophobicContact CB-CD2 4.43Å; V607-L613 HydrophobicContact CG1-CD2 4.31Å; V607-L613 HydrophobicContact CG2-CD2 3.91Å; E611-L613 PolarHBondContact O-N 3.03Å; L613-I634 HydrophobicContact CD1-CD1 4.45Å; L613-I634 HydrophobicContact CD1-CG2 4.05Å; L613-I634 HydrophobicContact CD2-CG2 4.39Å; L613-I636 HydrophobicContact CD2-CD1 4.34Å
614L98.2Very high95.9Very high0 Ų053 Ų530%029%0.294CS..EExtended strand (participates in β ladder)trans-162.6161.2-175.657.783000111L557 I597 K598 L599 S612 I616 L630 I634L557-L614 HydrophobicContact CB-CD1 3.56Å; L557-L614 HydrophobicContact CB-CG 3.94Å; L557-L614 HydrophobicContact CD2-CD1 3.93Å; L557-L614 HydrophobicContact CD2-CD2 4.13Å; L557-L614 HydrophobicContact CD2-CG 4.02Å; L557-L614 HydrophobicContact CG-CD1 4.37Å; L557-L614 PolarHBondContact N-O 3.13Å; I597-L614 HydrophobicContact CG2-CB 4.16Å; I597-L614 HydrophobicContact CG2-CD1 4.12Å; I597-L614 HydrophobicContact CG2-CD2 3.96Å; I597-L614 HydrophobicContact CG2-CG 4.31Å; K598-L614 CarbonylContact O-C 3.46Å; K598-L614 WeakPolarHBondContact O-CA 3.44Å; K598-L614 VanDerWaalsContact O-CB 3.25Å; K598-L614 WeakPolarHBondContact O-CB 3.45Å; L599-L614 HydrophobicContact CD2-CB 4.05Å; L599-L614 HydrophobicContact CD2-CD2 3.94Å; S612-L614 PolarHBondContact OG-N 2.84Å; S612-L614 PolarHBondContact OG-O 3.4Å; L614-I616 HydrophobicContact CD1-CD1 4.26Å; L614-I616 HydrophobicContact CD1-CG1 3.55Å; L614-L630 HydrophobicContact CD1-CD1 4.02Å; L614-L630 HydrophobicContact CD2-CD1 4.27Å; L614-L630 HydrophobicContact CD2-CD2 4.18Å; L614-I634 HydrophobicContact CD2-CD1 3.67Å
615T98.1Very high95.9Very high3 Ų358.8 Ų58.82%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-106.2131167-51.50000109.8E554 E556 I597 K598 H600 Y617E554-T615 HydrophobicContact CB-CG2 3.9Å; E554-T615 HydrophobicContact CG-CG2 4.44Å; E556-T615 VanDerWaalsContact CD-OG1 3.27Å; E556-T615 WeakPolarHBondContact OE1-CG2 3.28Å; E556-T615 PolarHBondContact OE1-OG1 2.81Å; E556-T615 PolarHBondContact OE2-OG1 3.48Å; I597-T615 WeakPolarHBondContact CA-O 3.1Å; K598-T615 PolarHBondContact N-O 2.8Å; K598-T615 PolarHBondContact O-N 2.99Å; H600-T615 PolarHBondContact CE1-OG1 3.4Å; H600-T615 PolarHBondContact NE2-OG1 2.76Å; T615-Y617 HydrophobicContact CG2-CD2 4.13Å; T615-Y617 HydrophobicContact CG2-CE2 3.69Å
616I98.1Very high95.9Very high0 Ų056 Ų560%030%0.3CS..EExtended strand (participates in β ladder)trans-93.1120.5171.9-57.6172.3000108.4E554 I555 L557 L580 L614 A618 I623 V626 E627 L630E554-I616 WeakPolarHBondContact CA-O 3.21Å; I555-I616 HydrophobicContact CB-CB 4.38Å; I555-I616 PolarHBondContact N-O 2.86Å; I555-I616 PolarHBondContact O-N 3.37Å; L557-I616 HydrophobicContact CD1-CD1 4.48Å; L580-I616 HydrophobicContact CD1-CG2 3.7Å; L580-I616 HydrophobicContact CD2-CG2 3.93Å; L580-I616 HydrophobicContact CG-CG2 4.48Å; L614-I616 HydrophobicContact CD1-CD1 4.26Å; L614-I616 HydrophobicContact CD1-CG1 3.55Å; I616-A618 HydrophobicContact CG2-CB 4.43Å; I616-I623 HydrophobicContact CD1-CD1 3.88Å; I616-I623 HydrophobicContact CG2-CD1 4.34Å; I616-V626 HydrophobicContact CD1-CG1 4.37Å; I616-E627 HydrophobicContact CD1-CG 4.16Å; I616-L630 HydrophobicContact CD1-CD1 3.74Å; I616-L630 HydrophobicContact CG1-CD1 4.05Å
617Y97.9Very high95.9Very high20 Ų2052 Ų528%0.07828%0.284CS..EExtended strand (participates in β ladder)trans-96.4117173.4-70.4-103000108.5L470 A551 Y553 E554 V595 G596 K598 T615L470-Y617 HydrophobicContact CD1-CD2 3.83Å; L470-Y617 HydrophobicContact CD1-CE2 4.38Å; L470-Y617 HydrophobicContact CD1-CG 4.22Å; L470-Y617 HydrophobicContact CD2-CD1 4.23Å; L470-Y617 HydrophobicContact CD2-CD2 3.91Å; L470-Y617 HydrophobicContact CD2-CE1 4.13Å; L470-Y617 HydrophobicContact CD2-CE2 3.83Å; L470-Y617 HydrophobicContact CD2-CG 4.12Å; L470-Y617 HydrophobicContact CG-CD2 4.5Å; A551-Y617 HydrophobicContact CB-CD1 3.91Å; A551-Y617 HydrophobicContact CB-CG 4.41Å; Y553-Y617 WeakPolarHBondContact O-CA 3.14Å; E554-Y617 HydrophobicContact CG-CD1 3.9Å; E554-Y617 HydrophobicContact CG-CE1 3.66Å; V595-Y617 VanDerWaalsContact CA-O 3.26Å; V595-Y617 WeakPolarHBondContact CA-O 3.44Å; V595-Y617 VanDerWaalsContact CB-O 3.28Å; V595-Y617 WeakPolarHBondContact CB-O 3.46Å; G596-Y617 PolarHBondContact N-O 3.32Å; G596-Y617 PolarHBondContact O-N 2.99Å; K598-Y617 HydrophobicContact CB-CD2 4.47Å; K598-Y617 HydrophobicContact CB-CE2 3.77Å; T615-Y617 HydrophobicContact CG2-CD2 4.13Å; T615-Y617 HydrophobicContact CG2-CE2 3.69Å
618A96.9Very high95.8Very high2 Ų258 Ų582%0.01731%0.31CS..EExtended strand (participates in β ladder)trans-140152.6-173.300000112.9K552 Y553 L580 I616 S620 I623K552-A618 PolarHBondContact N-O 3.19Å; Y553-A618 PolarHBondContact N-O 3.07Å; Y553-A618 PolarHBondContact O-N 2.79Å; L580-A618 HydrophobicContact CD2-CB 4.01Å; I616-A618 HydrophobicContact CG2-CB 4.43Å; A618-S620 WeakPolarHBondContact CB-O 3.41Å; A618-I623 HydrophobicContact CB-CG2 4.02Å
619N95.3Very high95.8Very high45 Ų4557 Ų5724%0.24130%0.298CS..SBendtrans-103.8-4.3172.4-82.2-31.6000114K552 D592 V595K552-N619 WeakPolarHBondContact CG-OD1 3.39Å; K552-N619 PolarHBondContact N-OD1 3.43Å; D592-N619 PolarHBondContact OD1-ND2 2.63Å; D592-N619 PolarHBondContact OD2-ND2 2.91Å; V595-N619 HydrophobicContact CG1-CB 4.19Å
620S91.3Very high95.8Very high55 Ų5550.2 Ų50.239%0.38527%0.266SS..SBendtrans-120.7152.3169.2-176.60000109.4A618 E622A618-S620 WeakPolarHBondContact CB-O 3.41Å; S620-E622 PolarHBondContact OG-N 3.3Å
621N87.4Confident95.8Very high110 Ų11050.5 Ų50.559%0.58825%0.251SS*.SBendtrans-89.4-4.8171.564.4-38.2000112.9Y553 I623Y553-N621 HydrophobicContact CE2-CB 4.27Å; N621-I623 PolarHBondContact O-N 3.03Å; N621-I623 VanDerWaalsContact O-N 3.14Å
622E90.6Very high95.8Very high167 Ų16752.9 Ų52.978%0.7826%0.262SS*.  trans-83.678.5176.5-63.8-178.917500110.1S620S620-E622 PolarHBondContact OG-N 3.3Å
623I93Very high95.7Very high6 Ų653.1 Ų53.13%0.03126%0.262CS..  trans-1159.4-176.964.3155.2000114.3I555 L580 I616 A618 N621 E625 V626 E627I555-I623 HydrophobicContact CB-CD1 4.08Å; I555-I623 HydrophobicContact CD1-CD1 3.43Å; I555-I623 VanDerWaalsContact CD1-CD1 3.43Å; I555-I623 HydrophobicContact CD1-CG1 4.04Å; I555-I623 HydrophobicContact CG1-CD1 4.34Å; I555-I623 HydrophobicContact CG2-CD1 3.89Å; L580-I623 HydrophobicContact CD2-CG2 3.95Å; I616-I623 HydrophobicContact CD1-CD1 3.88Å; I616-I623 HydrophobicContact CG2-CD1 4.34Å; A618-I623 HydrophobicContact CB-CG2 4.02Å; N621-I623 PolarHBondContact O-N 3.03Å; N621-I623 VanDerWaalsContact O-N 3.14Å; I623-E625 PolarHBondContact O-N 2.92Å; I623-E625 VanDerWaalsContact O-N 3.16Å; I623-V626 HydrophobicContact CB-CB 4.42Å; I623-V626 WeakPolarHBondContact O-CA 3.22Å; I623-V626 WeakPolarHBondContact O-CB 3.3Å; I623-V626 PolarHBondContact O-N 3.18Å; I623-E627 HydrophobicContact CD1-CG 3.7Å; I623-E627 WeakPolarHBondContact CD1-OE1 3.38Å; I623-E627 HydrophobicContact CG1-CG 4.06Å; I623-E627 PolarHBondContact O-N 2.9Å
624D95.3Very high95.7Very high129 Ų12953.6 Ų53.669%0.6926%0.264SS*.Hα-helixtrans-53.7-39.5-175.9-67.5-16.2000113.3K628D624-K628 VanDerWaalsContact O-CB 3.29Å; D624-K628 WeakPolarHBondContact O-CB 3.37Å; D624-K628 PolarHBondContact O-N 3.37Å
625E95.1Very high95.6Very high142 Ų14256 Ų5666%0.66428%0.281SS*.Hα-helixtrans-66.4-40.1177.3-173.2174.8-17200111.7L579 I623 L629L579-E625 HydrophobicContact CD1-CG 4.36Å; I623-E625 PolarHBondContact O-N 2.92Å; I623-E625 VanDerWaalsContact O-N 3.16Å; E625-L629 WeakPolarHBondContact O-CB 3.42Å; E625-L629 PolarHBondContact O-N 3.36Å
626V96.1Very high95.5Very high7 Ų757.9 Ų57.94%0.04229%0.291CS..Hα-helixtrans-68.7-47.1178.3176.60000110.5A576 L579 L580 I616 I623 K628 L629 L630A576-V626 HydrophobicContact CB-CG1 4.12Å; L579-V626 HydrophobicContact CB-CG2 3.95Å; L580-V626 HydrophobicContact CD1-CG1 4.27Å; L580-V626 HydrophobicContact CD2-CB 4.44Å; L580-V626 HydrophobicContact CD2-CG1 4.16Å; L580-V626 HydrophobicContact CD2-CG2 3.93Å; L580-V626 HydrophobicContact CG-CG1 4.16Å; L580-V626 HydrophobicContact CG-CG2 4.12Å; I616-V626 HydrophobicContact CD1-CG1 4.37Å; I623-V626 HydrophobicContact CB-CB 4.42Å; I623-V626 WeakPolarHBondContact O-CA 3.22Å; I623-V626 WeakPolarHBondContact O-CB 3.3Å; I623-V626 PolarHBondContact O-N 3.18Å; V626-K628 VanDerWaalsContact C-N 3.32Å; V626-K628 PolarHBondContact O-N 3.45Å; V626-L629 PolarHBondContact O-N 3.27Å; V626-L630 HydrophobicContact CG1-CD1 3.9Å; V626-L630 HydrophobicContact CG1-CG 4.49Å; V626-L630 VanDerWaalsContact O-CG 3.26Å; V626-L630 WeakPolarHBondContact O-CG 2.96Å; V626-L630 PolarHBondContact O-N 3.35Å
627E96.7Very high95.4Very high57 Ų5759 Ų5927%0.26630%0.302SS..Hα-helixtrans-59.3-44.8176.7-69.1-169.816900111.6L557 I616 I623 L630 Y631L557-E627 HydrophobicContact CD1-CB 4.23Å; L557-E627 HydrophobicContact CD1-CG 4.11Å; I616-E627 HydrophobicContact CD1-CG 4.16Å; I623-E627 HydrophobicContact CD1-CG 3.7Å; I623-E627 WeakPolarHBondContact CD1-OE1 3.38Å; I623-E627 HydrophobicContact CG1-CG 4.06Å; I623-E627 PolarHBondContact O-N 2.9Å; E627-L630 PolarHBondContact O-N 3.3Å; E627-Y631 WeakPolarHBondContact O-CD2 3.48Å; E627-Y631 PolarHBondContact O-N 3.18Å
628K97Very high95.2Very high127 Ų12766.9 Ų66.955%0.55234%0.34SS*.Hα-helixtrans-60.8-48.7178-177.4-175.3169.1-167.20110.9D624 V626 L630 Y631 E632D624-K628 VanDerWaalsContact O-CB 3.29Å; D624-K628 WeakPolarHBondContact O-CB 3.37Å; D624-K628 PolarHBondContact O-N 3.37Å; V626-K628 VanDerWaalsContact C-N 3.32Å; V626-K628 PolarHBondContact O-N 3.45Å; K628-L630 VanDerWaalsContact C-N 3.3Å; K628-L630 PolarHBondContact O-N 3.15Å; K628-Y631 PolarHBondContact O-N 2.62Å; K628-E632 WeakPolarHBondContact CE-OE1 3.43Å; K628-E632 IonicContact NZ-OE1 2.69Å; K628-E632 WeakPolarHBondContact O-CG 3.43Å; K628-E632 PolarHBondContact O-N 3.17Å
629L96.6Very high95Very high27 Ų2774.2 Ų74.214%0.14137%0.374CS..Hα-helixtrans-59.6-41.8179.6-175.364.2000111.5I575 A576 L579 E625 V626 E632 N633I575-L629 HydrophobicContact CB-CD2 4.23Å; I575-L629 HydrophobicContact CG2-CD2 3.77Å; A576-L629 HydrophobicContact CB-CD2 3.98Å; L579-L629 HydrophobicContact CD1-CD2 4.07Å; E625-L629 WeakPolarHBondContact O-CB 3.42Å; E625-L629 PolarHBondContact O-N 3.36Å; V626-L629 PolarHBondContact O-N 3.27Å; L629-E632 PolarHBondContact O-N 3.1Å; L629-N633 PolarHBondContact O-N 3.23Å; L629-N633 PolarHBondContact O-ND2 3.44Å
630L97.5Very high94.8Very high0 Ų075.9 Ų75.90%039%0.387CS..Hα-helixtrans-65.7-46.7177.4-68.9168.8000111.9L557 I573 A576 I597 L614 I616 V626 E627 K628 E632 N633 I634L557-L630 HydrophobicContact CD2-CB 3.7Å; L557-L630 HydrophobicContact CD2-CD1 4.18Å; I573-L630 HydrophobicContact CG1-CD2 4.16Å; I573-L630 HydrophobicContact CG2-CD2 4.48Å; A576-L630 HydrophobicContact CB-CD2 3.71Å; A576-L630 HydrophobicContact CB-CG 3.95Å; I597-L630 HydrophobicContact CD1-CD1 4.1Å; I597-L630 HydrophobicContact CD1-CD2 3.85Å; L614-L630 HydrophobicContact CD1-CD1 4.02Å; L614-L630 HydrophobicContact CD2-CD1 4.27Å; L614-L630 HydrophobicContact CD2-CD2 4.18Å; I616-L630 HydrophobicContact CD1-CD1 3.74Å; I616-L630 HydrophobicContact CG1-CD1 4.05Å; V626-L630 HydrophobicContact CG1-CD1 3.9Å; V626-L630 HydrophobicContact CG1-CG 4.49Å; V626-L630 VanDerWaalsContact O-CG 3.26Å; V626-L630 WeakPolarHBondContact O-CG 2.96Å; V626-L630 PolarHBondContact O-N 3.35Å; E627-L630 PolarHBondContact O-N 3.3Å; K628-L630 VanDerWaalsContact C-N 3.3Å; K628-L630 PolarHBondContact O-N 3.15Å; L630-E632 VanDerWaalsContact C-N 3.25Å; L630-E632 PolarHBondContact O-N 2.9Å; L630-N633 PolarHBondContact O-N 3Å; L630-N633 VanDerWaalsContact O-N 3.1Å; L630-I634 HydrophobicContact CB-CD1 4.36Å; L630-I634 VanDerWaalsContact O-CG1 3.25Å; L630-I634 WeakPolarHBondContact O-CG1 3.32Å; L630-I634 PolarHBondContact O-N 3.22Å; L630-I634 VanDerWaalsContact O-N 3.11Å
631Y97.7Very high94.7Very high58 Ų5878.6 Ų78.623%0.22739%0.392CS..Hα-helixtrans-63.2-29.5177.1-80.2-56.7000114L557 P558 K560 E627 K628 N633L557-Y631 HydrophobicContact CD1-CD2 4.13Å; L557-Y631 HydrophobicContact CD1-CE1 4.2Å; L557-Y631 HydrophobicContact CD1-CE2 3.44Å; L557-Y631 VanDerWaalsContact CD1-CE2 3.44Å; L557-Y631 VanDerWaalsContact CD1-CZ 3.47Å; L557-Y631 HydrophobicContact CD2-CE1 4.37Å; L557-Y631 HydrophobicContact CG-CE1 4.04Å; L557-Y631 HydrophobicContact CG-CE2 4.19Å; P558-Y631 WeakPolarHBondContact O-CE1 3.39Å; P558-Y631 PolarHBondContact O-OH 3.19Å; P558-Y631 VanDerWaalsContact O-OH 3.12Å; K560-Y631 HydrophobicContact CD-CD1 3.92Å; K560-Y631 HydrophobicContact CD-CE1 3.98Å; K560-Y631 HydrophobicContact CD-CG 4.47Å; K560-Y631 VanDerWaalsContact CE-CD1 3.45Å; K560-Y631 VanDerWaalsContact CE-CE1 3.49Å; K560-Y631 HydrophobicContact CG-CD1 4.24Å; K560-Y631 HydrophobicContact CG-CE1 3.84Å; E627-Y631 WeakPolarHBondContact O-CD2 3.48Å; E627-Y631 PolarHBondContact O-N 3.18Å; K628-Y631 PolarHBondContact O-N 2.62Å; Y631-N633 VanDerWaalsContact C-N 3.25Å
632E96.9Very high94.7Very high124 Ų12481.8 Ų81.858%0.57940%0.403SS*.Hα-helixtrans-73-19.4176.9-75176.6173.600112.6K628 L629 L630K628-E632 WeakPolarHBondContact CE-OE1 3.43Å; K628-E632 IonicContact NZ-OE1 2.69Å; K628-E632 WeakPolarHBondContact O-CG 3.43Å; K628-E632 PolarHBondContact O-N 3.17Å; L629-E632 PolarHBondContact O-N 3.1Å; L630-E632 VanDerWaalsContact C-N 3.25Å; L630-E632 PolarHBondContact O-N 2.9Å
633N96.3Very high94.5Very high28 Ų2876.8 Ų76.815%0.1539%0.385CS..Hα-helixtrans-120.37.7-170.7-72.3-69.5000114.7V569 E572 L629 L630 Y631V569-N633 HydrophobicContact CB-CB 4.02Å; V569-N633 HydrophobicContact CG2-CB 4.12Å; V569-N633 PolarHBondContact N-O 2.94Å; V569-N633 VanDerWaalsContact N-O 3.1Å; E572-N633 HydrophobicContact CB-CB 3.88Å; E572-N633 WeakPolarHBondContact CB-ND2 3.19Å; E572-N633 HydrophobicContact CG-CB 4.48Å; E572-N633 WeakPolarHBondContact CG-OD1 3.38Å; L629-N633 PolarHBondContact O-N 3.23Å; L629-N633 PolarHBondContact O-ND2 3.44Å; L630-N633 PolarHBondContact O-N 3Å; L630-N633 VanDerWaalsContact O-N 3.1Å; Y631-N633 VanDerWaalsContact C-N 3.25Å
634I97.1Very high94.4Very high18 Ų1881.2 Ų81.29%0.09241%0.408CS..EExtended strand (participates in β ladder)trans-115.3114.6171.2-58.6169.4000107.9L557 L568 L613 L614 L630L557-I634 HydrophobicContact CD2-CD1 4.26Å; L568-I634 HydrophobicContact CD2-CB 4.14Å; L568-I634 HydrophobicContact CD2-CD1 4.34Å; L568-I634 HydrophobicContact CD2-CG1 3.66Å; L568-I634 HydrophobicContact CD2-CG2 3.76Å; L613-I634 HydrophobicContact CD1-CD1 4.45Å; L613-I634 HydrophobicContact CD1-CG2 4.05Å; L613-I634 HydrophobicContact CD2-CG2 4.39Å; L614-I634 HydrophobicContact CD2-CD1 3.67Å; L630-I634 HydrophobicContact CB-CD1 4.36Å; L630-I634 VanDerWaalsContact O-CG1 3.25Å; L630-I634 WeakPolarHBondContact O-CG1 3.32Å; L630-I634 PolarHBondContact O-N 3.22Å; L630-I634 VanDerWaalsContact O-N 3.11Å
635S96.3Very high94.4Very high51 Ų5177 Ų7736%0.35739%0.385SS..EExtended strand (participates in β ladder)trans-103.8137.7179.6-660000111.6V565 T566 D567V565-S635 CarbonylContact C-O 3.58Å; V565-S635 WeakPolarHBondContact CA-O 3.3Å; T566-S635 PolarHBondContact N-O 2.81Å; T566-S635 WeakPolarHBondContact OG1-CB 3.46Å; T566-S635 PolarHBondContact OG1-O 2.8Å; D567-S635 PolarHBondContact O-N 2.96Å
636I97.2Very high94.4Very high43 Ų4372.3 Ų72.322%0.22136%0.364CS..EExtended strand (participates in β ladder)trans-119124.9174.9-59.3172.5000108.7A559 Y564 V607 L613A559-I636 HydrophobicContact CB-CD1 3.86Å; Y564-I636 CarbonylContact O-C 3.59Å; Y564-I636 VanDerWaalsContact O-CA 3.29Å; Y564-I636 WeakPolarHBondContact O-CA 3.3Å; V607-I636 HydrophobicContact CG1-CD1 3.79Å; V607-I636 HydrophobicContact CG1-CG1 4.19Å; V607-I636 HydrophobicContact CG1-CG2 4.18Å; L613-I636 HydrophobicContact CD2-CD1 4.34Å
637G95.8Very high94.4Very high24 Ų2475.1 Ų75.125%0.24738%0.377CS..EExtended strand (participates in β ladder)trans-126.6-179.2-179.400000113.7G563 Y564G563-G637 WeakPolarHBondContact CA-O 3.22Å; Y564-G637 PolarHBondContact N-O 2.96Å; Y564-G637 PolarHBondContact O-N 3.39Å
638E94.4Very high94.3Very high184 Ų18475 Ų7586%0.8638%0.378SS*.SBendtrans-83.3-28.2-176.5-64.3-173.1171.300113.7Y564Y564-E638 WeakPolarHBondContact CD2-O 3.35Å; Y564-E638 WeakPolarHBondContact CE2-O 3.39Å
639E92Very high94.2Very high157 Ų15772 Ų7273%0.73437%0.367SS*.SBendtrans-113.4139.6-177.4-64.4-173.2167.400111.1
640P90.9Very high93.9Very high80 Ų8071.6 Ų71.652%0.51937%0.365SS..  trans-69.5145.2174.830-34000110.9Y564Y564-P640 HydrophobicContact CD1-CB 3.81Å; Y564-P640 HydrophobicContact CD1-CG 4.49Å; Y564-P640 HydrophobicContact CE1-CB 4.22Å; Y564-P640 HydrophobicContact CE1-CG 4.49Å; Y564-P640 HydrophobicContact CG-CB 4.01Å
641K89.1Confident93.2Very high112 Ų11275.2 Ų75.249%0.48739%0.387SS..  trans-109.6127.4170.5-177.2-179.3175.2-168.20108.2V603 G604 P643V603-K641 HydrophobicContact CG1-CB 4Å; V603-K641 HydrophobicContact CG1-CD 4.18Å; V603-K641 HydrophobicContact CG1-CG 4.25Å; G604-K641 VanDerWaalsContact CA-O 3.24Å; G604-K641 WeakPolarHBondContact CA-O 3.24Å; G604-K641 PolarHBondContact N-O 2.83Å; K641-P643 WeakPolarHBondContact O-CD 3.38Å
642E86.7Confident91.8Very high177 Ų17779 Ų7983%0.82741%0.407SS*.PPolyproline II helixtrans-83.9119.7175.8-170.2170.8-169.500109.2
643P86.5Confident91.6Very high62 Ų6276.8 Ų76.840%0.40340%0.398SS..PPolyproline II helixtrans-74.2144.7177.330-33000110.8E460 K641E460-P643 VanDerWaalsContact OE1-CB 3.29Å; E460-P643 WeakPolarHBondContact OE1-CB 3.37Å; K641-P643 WeakPolarHBondContact O-CD 3.38Å
644I92Very high91.3Very high99 Ų9979.3 Ų79.351%0.50841%0.411SS..PPolyproline II helixtrans-101.7121.9171.9-61.7174.2000106.4D457D457-I644 WeakPolarHBondContact CB-O 3.38Å
645L94.6Very high91Very high40 Ų4082.7 Ų82.721%0.20943%0.429CS..SBendtrans-86.8-45.3179.7-177.764.7000112.8S456 D457 L462 D486 E489 M490S456-L645 CarbonylContact C-O 3.55Å; S456-L645 WeakPolarHBondContact CA-O 3.17Å; D457-L645 PolarHBondContact N-O 2.94Å; L462-L645 HydrophobicContact CD1-CD1 4Å; D486-L645 HydrophobicContact CB-CD1 4.28Å; D486-L645 HydrophobicContact CB-CD2 4.32Å; D486-L645 VanDerWaalsContact O-CD2 3.29Å; D486-L645 WeakPolarHBondContact O-CD2 3.49Å; E489-L645 HydrophobicContact CB-CD2 3.89Å; E489-L645 HydrophobicContact CG-CD2 3.95Å; M490-L645 HydrophobicContact CB-CD2 4.46Å; M490-L645 HydrophobicContact CE-CD1 3.64Å; M490-L645 HydrophobicContact CE-CD2 4.41Å; M490-L645 HydrophobicContact CE-CG 3.85Å
646I96.1Very high90.7Very high44 Ų4484.6 Ų84.623%0.22643%0.433CS..EExtended strand (participates in β ladder)trans-119.1120.7-176.3-52.1-62.4000108.7V454 M490 V493 I649V454-I646 HydrophobicContact CG1-CD1 3.86Å; V454-I646 HydrophobicContact CG1-CG2 4.04Å; M490-I646 HydrophobicContact CE-CD1 3.61Å; M490-I646 HydrophobicContact SD-CD1 3.77Å; V493-I646 HydrophobicContact CB-CD1 4.47Å; V493-I646 HydrophobicContact CG1-CD1 4.17Å; V493-I646 HydrophobicContact CG1-CG1 4.4Å; V493-I646 HydrophobicContact CG2-CG1 4.24Å; I646-I649 HydrophobicContact CG2-CG1 4.23Å
647H95Very high90.3Very high66 Ų6687.2 Ų87.231%0.30645%0.447SS..EExtended strand (participates in β ladder)trans-92-38.1-178.5-72.2-80.2000112.9I430 I455 D457I430-H647 HydrophobicContact CD1-CB 3.55Å; I455-H647 HydrophobicContact CB-CB 4.43Å; I455-H647 HydrophobicContact CG2-CB 4.16Å; I455-H647 PolarHBondContact O-N 3.26Å; D457-H647 IonicContact OD1-CE1 3.42Å; D457-H647 IonicContact OD1-NE2 3.34Å; D457-H647 PolarHBondContact OD1-NE2 3.12Å
648D94.9Very high89.9Confident54 Ų5491.4 Ų91.429%0.28946%0.46SS..EExtended strand (participates in β ladder)trans-161.9159.8-178.7-145.8-21.4000111K434 I455 I650K434-D648 WeakPolarHBondContact CE-OD2 3.37Å; K434-D648 IonicContact NZ-OD2 3.82Å; K434-D648 PolarHBondContact NZ-OD2 3.36Å; I455-D648 HydrophobicContact CB-CB 4.29Å; I455-D648 HydrophobicContact CD1-CB 3.96Å; I455-D648 HydrophobicContact CG1-CB 4.31Å; I455-D648 PolarHBondContact N-O 3.29Å; D648-I650 HydrophobicContact CB-CD1 4.46Å
649I94.5Very high89.6Confident63 Ų6384.8 Ų84.832%0.32343%0.431SS..EExtended strand (participates in β ladder)trans-126.6117170.6-59.1177.3000107.4V454 V493 I646 T651V454-I649 HydrophobicContact CG2-CG1 4.43Å; V454-I649 HydrophobicContact CG2-CG2 4.5Å; V493-I649 HydrophobicContact CG1-CD1 4.11Å; I646-I649 HydrophobicContact CG2-CG1 4.23Å; I649-T651 HydrophobicContact CG2-CG2 4.34Å
650I90.1Very high89.4Confident19 Ų1979.2 Ų79.210%0.09741%0.408CS..EExtended strand (participates in β ladder)trans-98.9103.4-179.9-52.3-57000108.5A437 K438 V441 A453 I455 D648A437-I650 HydrophobicContact CB-CB 4.45Å; A437-I650 HydrophobicContact CB-CG1 3.99Å; K438-I650 HydrophobicContact CG-CG2 3.83Å; V441-I650 HydrophobicContact CG2-CG2 4.46Å; A453-I650 HydrophobicContact CB-CB 4.38Å; A453-I650 PolarHBondContact N-O 2.96Å; A453-I650 PolarHBondContact O-N 2.8Å; I455-I650 HydrophobicContact CD1-CG1 4.1Å; I455-I650 HydrophobicContact CG1-CG1 4.46Å; D648-I650 HydrophobicContact CB-CD1 4.46Å
651T84.2Confident89.3Confident77 Ų7779.2 Ų79.247%0.47240%0.399SS..  trans-91.5167.8164.762.90000110.2M452 I649M452-T651 HydrophobicContact CE-CG2 4.32Å; I649-T651 HydrophobicContact CG2-CG2 4.34Å
652E67.9Low89.3Confident137 Ų13776.2 Ų76.264%0.6439%0.391SS*.  trans-48.70175.5-76.4-160.2-168.300115V441 K445V441-E652 HydrophobicContact CG1-CG 4.29Å; K445-E652 IonicContact NZ-OE2 3.13Å; K445-E652 PolarHBondContact NZ-OE2 2.74Å

Retrieved 652 of 652 residues in 935.5 ms (Link to these results)

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